smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nnc(Cl)cc1C#N)C2	ZINC001164815704	720090612	/nfs/dbraw/zinc/09/06/12/720090612.db2.gz	ZELMUHMCGNTLLB-YJBOKZPZSA-N	1	1	361.877	2.186	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)c(C#N)cc1F)C2	ZINC001164814388	720158404	/nfs/dbraw/zinc/15/84/04/720158404.db2.gz	FYRNBHCHXHZGGE-OXQOHEQNSA-N	1	1	374.460	2.286	20	30		FEEDMO
N#Cc1c2c(cnc1N1CC[C@@H]3[C@H]1CCN3Cc1cccnc1)C[NH2+]CCC2	ZINC001164723635	720330557	/nfs/dbraw/zinc/33/05/57/720330557.db2.gz	IHKGSIHGOPRAMG-NHCUHLMSSA-N	1	1	374.492	2.237	20	30		FEEDMO
Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C#N	ZINC001164744947	720622377	/nfs/dbraw/zinc/62/23/77/720622377.db2.gz	SJZPNIRRPQRLCP-UONOGXRCSA-N	1	1	370.844	2.047	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3nccc4ccc(C#N)cc43)CC[C@@H]2C1	ZINC001164850142	720849351	/nfs/dbraw/zinc/84/93/51/720849351.db2.gz	DMNDERRXXJBIEQ-QUCCMNQESA-N	1	1	366.465	2.280	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc(C#N)c4ccccc4n3)CC[C@@H]2C1	ZINC001164861778	720875156	/nfs/dbraw/zinc/87/51/56/720875156.db2.gz	QFVNZQMSECEMHY-OXQOHEQNSA-N	1	1	366.465	2.280	20	30		FEEDMO
N#Cc1c(Cl)ccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164871914	721064645	/nfs/dbraw/zinc/06/46/45/721064645.db2.gz	ZQNFCZYMABWXIL-HZPDHXFCSA-N	1	1	369.856	2.481	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(C#N)cc(Cl)n4)C[C@@H]3C2)cn1	ZINC001164766555	721069897	/nfs/dbraw/zinc/06/98/97/721069897.db2.gz	KUGYLIRIJBNNLI-HOTGVXAUSA-N	1	1	356.861	2.298	20	30		FEEDMO
N#Cc1cc(Cl)cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164865717	721076555	/nfs/dbraw/zinc/07/65/55/721076555.db2.gz	OUXJGDNWONJHOG-ZWKOTPCHSA-N	1	1	369.856	2.481	20	30		FEEDMO
N#Cc1cnc2cc[nH]c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c1-2	ZINC001164880420	721127710	/nfs/dbraw/zinc/12/77/10/721127710.db2.gz	WLENDNSNJJULAX-ROUUACIJSA-N	1	1	374.448	2.309	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(Cl)cc4C#N)C[C@H]3C2)cn1	ZINC001164766849	721177282	/nfs/dbraw/zinc/17/72/82/721177282.db2.gz	JHOUGPAKOSHTJO-GOEBONIOSA-N	1	1	356.861	2.298	20	30		FEEDMO
Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(C#N)c1	ZINC001164887180	721386756	/nfs/dbraw/zinc/38/67/56/721386756.db2.gz	HHGRTRHEPGNZPW-FPOVZHCZSA-N	1	1	369.513	2.027	20	30		FEEDMO
Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1C#N	ZINC001164973148	722129613	/nfs/dbraw/zinc/12/96/13/722129613.db2.gz	BARRXMNAXZPOGE-VQTJNVASSA-N	1	1	363.465	2.384	20	30		FEEDMO
CC(C)(CNC(=O)CNc1ccc(C#N)cn1)[N@H+]1CCc2ccccc2C1	ZINC000497636504	887650229	/nfs/dbraw/zinc/65/02/29/887650229.db2.gz	HBRVBPRMSLACAM-UHFFFAOYSA-N	1	1	363.465	2.318	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)nn1	ZINC000819382590	675286977	/nfs/dbraw/zinc/28/69/77/675286977.db2.gz	OYKUHTDEHLSXAT-CQSZACIVSA-N	1	1	355.211	2.189	20	30		FEEDMO
Cc1c[nH+]ccc1OC1CCN(C(=O)CNc2ccc(C#N)cn2)CC1	ZINC000518894977	539455827	/nfs/dbraw/zinc/45/58/27/539455827.db2.gz	IHFVLDXKBWRRDN-UHFFFAOYSA-N	1	1	351.410	2.139	20	30		FEEDMO
CCO[C@H](C)c1nc(CN2CC[NH+](CCOCCC#N)CC2)cs1	ZINC000549859826	674067265	/nfs/dbraw/zinc/06/72/65/674067265.db2.gz	BOHMUSXRJCOBFM-OAHLLOKOSA-N	1	1	352.504	2.288	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1	ZINC000024593985	539734881	/nfs/dbraw/zinc/73/48/81/539734881.db2.gz	LAAHQFQLYYPLFO-QGZVFWFLSA-N	1	1	372.513	2.328	20	30		FEEDMO
CCCC[N@@H+](C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000025911850	539772743	/nfs/dbraw/zinc/77/27/43/539772743.db2.gz	AHGKMZMKKDUOEZ-UHFFFAOYSA-N	1	1	371.441	2.187	20	30		FEEDMO
C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)Cc1cccc(C#N)c1	ZINC000026331415	539783953	/nfs/dbraw/zinc/78/39/53/539783953.db2.gz	KZFRCSZOVVOFQR-UHFFFAOYSA-N	1	1	363.465	2.124	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1	ZINC000027440479	539807238	/nfs/dbraw/zinc/80/72/38/539807238.db2.gz	JAOKKNRKVBXUOE-UHFFFAOYSA-N	1	1	361.461	2.445	20	30		FEEDMO
Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000028656728	539834996	/nfs/dbraw/zinc/83/49/96/539834996.db2.gz	UFTNSLWYUJUCDW-QUCCMNQESA-N	1	1	362.433	2.411	20	30		FEEDMO
Cn1ccnc1[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000028656731	539835052	/nfs/dbraw/zinc/83/50/52/539835052.db2.gz	UFTNSLWYUJUCDW-UYAOXDASSA-N	1	1	362.433	2.411	20	30		FEEDMO
CC(C)N(C)C(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000030271746	539876994	/nfs/dbraw/zinc/87/69/94/539876994.db2.gz	HIXRARXOAUOXFP-OAHLLOKOSA-N	1	1	356.470	2.464	20	30		FEEDMO
C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000031821045	539921225	/nfs/dbraw/zinc/92/12/25/539921225.db2.gz	RBYSFFHLVHERJL-ZETCQYMHSA-N	1	1	360.468	2.182	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000046382098	540254697	/nfs/dbraw/zinc/25/46/97/540254697.db2.gz	UADBZADUXNWYGV-SFHVURJKSA-N	1	1	369.513	2.117	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)C1	ZINC000046518671	540261118	/nfs/dbraw/zinc/26/11/18/540261118.db2.gz	WQUGZASJTRYFIM-YJBOKZPZSA-N	1	1	357.454	2.180	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)C1	ZINC000046518671	540261120	/nfs/dbraw/zinc/26/11/20/540261120.db2.gz	WQUGZASJTRYFIM-YJBOKZPZSA-N	1	1	357.454	2.180	20	30		FEEDMO
N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1	ZINC000048041665	540341755	/nfs/dbraw/zinc/34/17/55/540341755.db2.gz	WLNPTXNKYCTOJW-MRXNPFEDSA-N	1	1	373.403	2.398	20	30		FEEDMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](C)Cc2cccc(C#N)c2)CC1	ZINC000051400995	540433315	/nfs/dbraw/zinc/43/33/15/540433315.db2.gz	VLXKGOJRRMEARP-UHFFFAOYSA-N	1	1	370.497	2.095	20	30		FEEDMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)CC1	ZINC000051400995	540433318	/nfs/dbraw/zinc/43/33/18/540433318.db2.gz	VLXKGOJRRMEARP-UHFFFAOYSA-N	1	1	370.497	2.095	20	30		FEEDMO
N#Cc1ccc(N2CCC[N@@H+](CC(=O)NC(C3CC3)C3CC3)CC2)cc1	ZINC000052800079	540490168	/nfs/dbraw/zinc/49/01/68/540490168.db2.gz	PNZVEVVSWBYBEH-UHFFFAOYSA-N	1	1	352.482	2.375	20	30		FEEDMO
N#Cc1ccc(N2CCC[N@H+](CC(=O)NC(C3CC3)C3CC3)CC2)cc1	ZINC000052800079	540490170	/nfs/dbraw/zinc/49/01/70/540490170.db2.gz	PNZVEVVSWBYBEH-UHFFFAOYSA-N	1	1	352.482	2.375	20	30		FEEDMO
Cc1ccccc1C[N@H+]1CCCN(CC(=O)N(CCC#N)CCC#N)CC1	ZINC000054989375	540620638	/nfs/dbraw/zinc/62/06/38/540620638.db2.gz	LWLFZBLKTJUXGH-UHFFFAOYSA-N	1	1	367.497	2.159	20	30		FEEDMO
COC(=O)c1ccnc(N2CCC[N@H+](Cc3ccccc3C#N)CC2)c1	ZINC000055058264	540625128	/nfs/dbraw/zinc/62/51/28/540625128.db2.gz	RGIOJDZGEIUGTJ-UHFFFAOYSA-N	1	1	350.422	2.452	20	30		FEEDMO
COC(=O)c1ccnc(N2CCC[N@@H+](Cc3ccccc3C#N)CC2)c1	ZINC000055058264	540625131	/nfs/dbraw/zinc/62/51/31/540625131.db2.gz	RGIOJDZGEIUGTJ-UHFFFAOYSA-N	1	1	350.422	2.452	20	30		FEEDMO
N#Cc1ccccc1OCC(=O)N1CC[NH+](CCc2cccs2)CC1	ZINC000055644704	540667329	/nfs/dbraw/zinc/66/73/29/540667329.db2.gz	JQLUUCYWDDNDOV-UHFFFAOYSA-N	1	1	355.463	2.385	20	30		FEEDMO
N#CC1CC[NH+](CC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)CC1	ZINC000057872361	540820674	/nfs/dbraw/zinc/82/06/74/540820674.db2.gz	CQNDRMHIBBKLJC-UHFFFAOYSA-N	1	1	360.889	2.220	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+](C)C1CC1	ZINC000076301085	542258518	/nfs/dbraw/zinc/25/85/18/542258518.db2.gz	WLOXXJOFBOJKSC-SNVBAGLBSA-N	1	1	368.359	2.114	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000541097777	541150567	/nfs/dbraw/zinc/15/05/67/541150567.db2.gz	DXYNFKWJZGQOBM-AWEZNQCLSA-N	1	1	356.405	2.346	20	30		FEEDMO
COCC[N@@H+](CCCc1ccccc1)CC(=O)N(CCC#N)CCC#N	ZINC000065958546	541274895	/nfs/dbraw/zinc/27/48/95/541274895.db2.gz	YLTCAASIPAAQGZ-UHFFFAOYSA-N	1	1	356.470	2.224	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000066241167	541294274	/nfs/dbraw/zinc/29/42/74/541294274.db2.gz	LJFBPUZFHXRAGY-OAHLLOKOSA-N	1	1	366.469	2.176	20	30		FEEDMO
N#Cc1cccc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)c1	ZINC000067685829	541499339	/nfs/dbraw/zinc/49/93/39/541499339.db2.gz	IODJLSOKBCIKFF-UHFFFAOYSA-N	1	1	355.360	2.285	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@H+]1C	ZINC000542960256	541508931	/nfs/dbraw/zinc/50/89/31/541508931.db2.gz	VPSHLDPLGSQGSM-OCCSQVGLSA-N	1	1	356.405	2.487	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCCN(c4nccs4)CC3)C2=O)cc1	ZINC000068255346	541568550	/nfs/dbraw/zinc/56/85/50/541568550.db2.gz	YYGNRGLMAXOPTQ-QGZVFWFLSA-N	1	1	367.478	2.332	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CCCN(c4nccs4)CC3)C2=O)cc1	ZINC000068255346	541568554	/nfs/dbraw/zinc/56/85/54/541568554.db2.gz	YYGNRGLMAXOPTQ-QGZVFWFLSA-N	1	1	367.478	2.332	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(c2nccs2)CC1	ZINC000068255427	541568844	/nfs/dbraw/zinc/56/88/44/541568844.db2.gz	ZHPMAEYIRMIVMN-HNNXBMFYSA-N	1	1	361.515	2.386	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(c2nccs2)CC1	ZINC000068255427	541568848	/nfs/dbraw/zinc/56/88/48/541568848.db2.gz	ZHPMAEYIRMIVMN-HNNXBMFYSA-N	1	1	361.515	2.386	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)c1	ZINC000069553921	541696544	/nfs/dbraw/zinc/69/65/44/541696544.db2.gz	ABJUSRPASQDTEE-KRWDZBQOSA-N	1	1	354.454	2.410	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	ZINC000072958930	541897748	/nfs/dbraw/zinc/89/77/48/541897748.db2.gz	CGHBNSNETKHPJA-CQSZACIVSA-N	1	1	357.332	2.159	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	ZINC000072958930	541897755	/nfs/dbraw/zinc/89/77/55/541897755.db2.gz	CGHBNSNETKHPJA-CQSZACIVSA-N	1	1	357.332	2.159	20	30		FEEDMO
C[C@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(=O)Nc1ccccc1C#N	ZINC000073412691	541950783	/nfs/dbraw/zinc/95/07/83/541950783.db2.gz	DHMIANBKBKKYKZ-AWEZNQCLSA-N	1	1	365.437	2.497	20	30		FEEDMO
CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1	ZINC000073492765	541957418	/nfs/dbraw/zinc/95/74/18/541957418.db2.gz	AGGNXSWYOFANHC-MDZDMXLPSA-N	1	1	368.481	2.020	20	30		FEEDMO
CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1	ZINC000073492765	541957422	/nfs/dbraw/zinc/95/74/22/541957422.db2.gz	AGGNXSWYOFANHC-MDZDMXLPSA-N	1	1	368.481	2.020	20	30		FEEDMO
CN(C)C(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1	ZINC000073458079	541956017	/nfs/dbraw/zinc/95/60/17/541956017.db2.gz	SREAAZICWQWRAD-UHFFFAOYSA-N	1	1	362.477	2.431	20	30		FEEDMO
CN(C(=O)C[N@H+](C)C[C@@H](O)COCc1ccccc1)C1(C#N)CCCCC1	ZINC000074289586	542063918	/nfs/dbraw/zinc/06/39/18/542063918.db2.gz	SJKILVVRMBTSNA-LJQANCHMSA-N	1	1	373.497	2.181	20	30		FEEDMO
CN(C(=O)C[N@@H+](C)C[C@@H](O)COCc1ccccc1)C1(C#N)CCCCC1	ZINC000074289586	542063923	/nfs/dbraw/zinc/06/39/23/542063923.db2.gz	SJKILVVRMBTSNA-LJQANCHMSA-N	1	1	373.497	2.181	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@H](O)COCc1ccccc1	ZINC000074289378	542064073	/nfs/dbraw/zinc/06/40/73/542064073.db2.gz	DPZJLVDHXIUYSF-JXFKEZNVSA-N	1	1	367.449	2.395	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@H](O)COCc1ccccc1	ZINC000074289378	542064075	/nfs/dbraw/zinc/06/40/75/542064075.db2.gz	DPZJLVDHXIUYSF-JXFKEZNVSA-N	1	1	367.449	2.395	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@H](O)COCc1ccccc1	ZINC000074289144	542064469	/nfs/dbraw/zinc/06/44/69/542064469.db2.gz	RINMDEZIMQTISJ-LPHOPBHVSA-N	1	1	367.449	2.395	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H](O)COCc1ccccc1	ZINC000074289144	542064473	/nfs/dbraw/zinc/06/44/73/542064473.db2.gz	RINMDEZIMQTISJ-LPHOPBHVSA-N	1	1	367.449	2.395	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@H](O)COCc1ccccc1	ZINC000074289380	542064560	/nfs/dbraw/zinc/06/45/60/542064560.db2.gz	DPZJLVDHXIUYSF-UZLBHIALSA-N	1	1	367.449	2.395	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@H](O)COCc1ccccc1	ZINC000074289380	542064564	/nfs/dbraw/zinc/06/45/64/542064564.db2.gz	DPZJLVDHXIUYSF-UZLBHIALSA-N	1	1	367.449	2.395	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000074494195	542089820	/nfs/dbraw/zinc/08/98/20/542089820.db2.gz	BKIGFOQDRRTHLP-GOSISDBHSA-N	1	1	355.486	2.264	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3CN3CCOCC3)o2)c1	ZINC000075968867	542220767	/nfs/dbraw/zinc/22/07/67/542220767.db2.gz	OJQXXEDSFKJJDT-GOSISDBHSA-N	1	1	367.453	2.295	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@@H]3CN3CCOCC3)o2)c1	ZINC000075968867	542220769	/nfs/dbraw/zinc/22/07/69/542220769.db2.gz	OJQXXEDSFKJJDT-GOSISDBHSA-N	1	1	367.453	2.295	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1	ZINC000076427159	542277689	/nfs/dbraw/zinc/27/76/89/542277689.db2.gz	GJIADJCFDWWBRS-UHFFFAOYSA-N	1	1	364.405	2.448	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC000077468631	542385093	/nfs/dbraw/zinc/38/50/93/542385093.db2.gz	QKVHZNDMVKZGCJ-CABCVRRESA-N	1	1	361.515	2.448	20	30		FEEDMO
C=CCCCN(C)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000077594699	542401714	/nfs/dbraw/zinc/40/17/14/542401714.db2.gz	QWOINYWNRFSCRA-IBGZPJMESA-N	1	1	372.513	2.492	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1	ZINC000077817127	542423641	/nfs/dbraw/zinc/42/36/41/542423641.db2.gz	WXMWNWDETDSABS-ZIAGYGMSSA-N	1	1	360.483	2.087	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)c2cccc(SCC#N)c2)CC1	ZINC000079527650	542523916	/nfs/dbraw/zinc/52/39/16/542523916.db2.gz	IMOGLEUEXBKPDP-UHFFFAOYSA-N	1	1	360.527	2.450	20	30		FEEDMO
C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C#Cc2ccccc2)CC1	ZINC000081626442	542669228	/nfs/dbraw/zinc/66/92/28/542669228.db2.gz	PRKYEFAKXMJQOE-UHFFFAOYSA-N	1	1	361.445	2.455	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCCOc2ccccc2)CC1	ZINC000092617018	542875336	/nfs/dbraw/zinc/87/53/36/542875336.db2.gz	MYHBVFYMGLRPOX-HXUWFJFHSA-N	1	1	372.513	2.080	20	30		FEEDMO
COc1ccc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)cc1OCCCC#N	ZINC000093756732	542939288	/nfs/dbraw/zinc/93/92/88/542939288.db2.gz	ZCQZZWYNIKBCOP-UHFFFAOYSA-N	1	1	368.437	2.030	20	30		FEEDMO
COc1ccc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)cc1OCCCC#N	ZINC000093756732	542939292	/nfs/dbraw/zinc/93/92/92/542939292.db2.gz	ZCQZZWYNIKBCOP-UHFFFAOYSA-N	1	1	368.437	2.030	20	30		FEEDMO
C=CCOc1cccc(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1	ZINC000102047002	543056295	/nfs/dbraw/zinc/05/62/95/543056295.db2.gz	HHJXUBKBMQXZRP-GOSISDBHSA-N	1	1	374.485	2.316	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1	ZINC000102401365	543068328	/nfs/dbraw/zinc/06/83/28/543068328.db2.gz	ANIWYNMMKMZOFY-HIFRSBDPSA-N	1	1	356.401	2.193	20	30		FEEDMO
COc1ccccc1C[N@@H+](CCO)CCC(=O)Nc1ccc(C#N)cc1	ZINC000103144160	543095010	/nfs/dbraw/zinc/09/50/10/543095010.db2.gz	HHNPQQQTEYMENV-UHFFFAOYSA-N	1	1	353.422	2.390	20	30		FEEDMO
C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104963571	543152771	/nfs/dbraw/zinc/15/27/71/543152771.db2.gz	QKCAKAOPGKTFHT-DNVCBOLYSA-N	1	1	357.454	2.085	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000106077207	543190696	/nfs/dbraw/zinc/19/06/96/543190696.db2.gz	YVIHEAMOHKSFJP-IAGOWNOFSA-N	1	1	370.501	2.108	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)CC1	ZINC000106290949	543221795	/nfs/dbraw/zinc/22/17/95/543221795.db2.gz	NANNPDLEQJJFRZ-UHFFFAOYSA-N	1	1	370.541	2.204	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000109399729	543324009	/nfs/dbraw/zinc/32/40/09/543324009.db2.gz	BPVFMFZLHWTPIT-IAGOWNOFSA-N	1	1	373.476	2.307	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C	ZINC000118104040	543645272	/nfs/dbraw/zinc/64/52/72/543645272.db2.gz	CLUBPKPKCIDEQR-ZIAGYGMSSA-N	1	1	360.483	2.230	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)cc2C1=O	ZINC000119742734	543671401	/nfs/dbraw/zinc/67/14/01/543671401.db2.gz	QQWGAXNITUWDND-HNNXBMFYSA-N	1	1	369.465	2.176	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1	ZINC000120240491	543677366	/nfs/dbraw/zinc/67/73/66/543677366.db2.gz	JDFLOAJXQOZRFR-KRWDZBQOSA-N	1	1	360.845	2.449	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1	ZINC000120240491	543677369	/nfs/dbraw/zinc/67/73/69/543677369.db2.gz	JDFLOAJXQOZRFR-KRWDZBQOSA-N	1	1	360.845	2.449	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC[C@@H]21	ZINC000120317821	543678311	/nfs/dbraw/zinc/67/83/11/543678311.db2.gz	IVMOQYVBXKEIQU-QAPCUYQASA-N	1	1	368.481	2.369	20	30		FEEDMO
C=CCCOCCNC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1	ZINC000122706107	543718952	/nfs/dbraw/zinc/71/89/52/543718952.db2.gz	SFDKBNBGKGFEGQ-UHFFFAOYSA-N	1	1	361.490	2.296	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1	ZINC000122916883	543731449	/nfs/dbraw/zinc/73/14/49/543731449.db2.gz	HIQMVCCTWFCYST-HNAYVOBHSA-N	1	1	362.433	2.276	20	30		FEEDMO
C[C@@]1(O)CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000124616795	543832870	/nfs/dbraw/zinc/83/28/70/543832870.db2.gz	MYDNEIXMIPFRIP-QGZVFWFLSA-N	1	1	354.372	2.020	20	30		FEEDMO
CN(C(=O)c1ccc(C#N)cn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000124880011	543848713	/nfs/dbraw/zinc/84/87/13/543848713.db2.gz	MJQFWMQVBKYOOH-UXHICEINSA-N	1	1	369.513	2.362	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[N@H+]1C1CC1	ZINC000127556169	544000222	/nfs/dbraw/zinc/00/02/22/544000222.db2.gz	RYAOOKPUEPAEAE-LSDHHAIUSA-N	1	1	371.460	2.154	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1	ZINC000247503514	549346710	/nfs/dbraw/zinc/34/67/10/549346710.db2.gz	VCVGIJZTEGKTMH-BLLLJJGKSA-N	1	1	362.861	2.339	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1cccc(F)c1	ZINC000151017287	544496693	/nfs/dbraw/zinc/49/66/93/544496693.db2.gz	ODISMBIUVLGQQV-MRXNPFEDSA-N	1	1	365.405	2.418	20	30		FEEDMO
CC(C)N(C(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000153246450	544751469	/nfs/dbraw/zinc/75/14/69/544751469.db2.gz	GSGXGPDFKAQXNR-UHFFFAOYSA-N	1	1	354.458	2.170	20	30		FEEDMO
CC[C@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1CC(F)F	ZINC000153386015	544769368	/nfs/dbraw/zinc/76/93/68/544769368.db2.gz	XWYIGJUBKVQDRD-IRXDYDNUSA-N	1	1	367.440	2.154	20	30		FEEDMO
CC[C@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1CC(F)F	ZINC000153386015	544769371	/nfs/dbraw/zinc/76/93/71/544769371.db2.gz	XWYIGJUBKVQDRD-IRXDYDNUSA-N	1	1	367.440	2.154	20	30		FEEDMO
C[N@H+](CCO)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2	ZINC000153131081	544736777	/nfs/dbraw/zinc/73/67/77/544736777.db2.gz	DIZMYKSCQZGJJR-UHFFFAOYSA-N	1	1	352.438	2.090	20	30		FEEDMO
C[N@@H+](CCO)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2	ZINC000153131081	544736780	/nfs/dbraw/zinc/73/67/80/544736780.db2.gz	DIZMYKSCQZGJJR-UHFFFAOYSA-N	1	1	352.438	2.090	20	30		FEEDMO
N#CCSCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1	ZINC000153956734	544845276	/nfs/dbraw/zinc/84/52/76/544845276.db2.gz	IIEGARLLZIDFLN-AWEZNQCLSA-N	1	1	353.875	2.383	20	30		FEEDMO
N#Cc1ccnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1Cl	ZINC000553082285	674237800	/nfs/dbraw/zinc/23/78/00/674237800.db2.gz	YHXSJBYLGPTDTP-DLBZAZTESA-N	1	1	356.857	2.902	20	30		FEEDMO
N#Cc1c(F)cccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000187584797	328034509	/nfs/dbraw/zinc/03/45/09/328034509.db2.gz	AINRDODDPXVMPX-INIZCTEOSA-N	1	1	353.397	2.194	20	30		FEEDMO
CCCN1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1=O	ZINC000189365626	328143269	/nfs/dbraw/zinc/14/32/69/328143269.db2.gz	OODGQSNMDVKNGE-UHFFFAOYSA-N	1	1	374.510	2.381	20	30		FEEDMO
CCCN1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1=O	ZINC000189365626	328143270	/nfs/dbraw/zinc/14/32/70/328143270.db2.gz	OODGQSNMDVKNGE-UHFFFAOYSA-N	1	1	374.510	2.381	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CC1(O)CCOCC1	ZINC000189753867	328166032	/nfs/dbraw/zinc/16/60/32/328166032.db2.gz	YHIOXNMXADIMNM-GFCCVEGCSA-N	1	1	351.834	2.012	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@H]3CCCC[C@@H]3C)CC2)o1	ZINC000192846641	328343255	/nfs/dbraw/zinc/34/32/55/328343255.db2.gz	FGGVTZAXEBVCQR-YOEHRIQHSA-N	1	1	359.474	2.014	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(Cc2cc(C#N)ccc2Br)[C@@H](C)C1	ZINC000192819595	328341191	/nfs/dbraw/zinc/34/11/91/328341191.db2.gz	BDYUCAPOOFQKFX-QWHCGFSZSA-N	1	1	352.276	2.208	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000081289770	325167512	/nfs/dbraw/zinc/16/75/12/325167512.db2.gz	VEPYDNIFAJOGBG-KRWDZBQOSA-N	1	1	370.497	2.177	20	30		FEEDMO
CCn1c(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)nc2c1cccc2F	ZINC000089942665	325343652	/nfs/dbraw/zinc/34/36/52/325343652.db2.gz	RCMITPVIUNNLQA-UHFFFAOYSA-N	1	1	355.421	2.437	20	30		FEEDMO
CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943647	325343714	/nfs/dbraw/zinc/34/37/14/325343714.db2.gz	IMVHFZRWODXVFE-KRWDZBQOSA-N	1	1	370.457	2.154	20	30		FEEDMO
CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)n1	ZINC000089942682	325343968	/nfs/dbraw/zinc/34/39/68/325343968.db2.gz	NFJGCXWICXJUAV-LBPRGKRZSA-N	1	1	361.450	2.045	20	30		FEEDMO
CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)n1	ZINC000089942682	325343969	/nfs/dbraw/zinc/34/39/69/325343969.db2.gz	NFJGCXWICXJUAV-LBPRGKRZSA-N	1	1	361.450	2.045	20	30		FEEDMO
Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1C	ZINC000089942463	325344018	/nfs/dbraw/zinc/34/40/18/325344018.db2.gz	ZEXXUJNCUIHHQH-CQSZACIVSA-N	1	1	354.458	2.372	20	30		FEEDMO
Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+]C(C)(C)C(=O)N(C)C)c1C#N	ZINC000114458611	325894954	/nfs/dbraw/zinc/89/49/54/325894954.db2.gz	CEUGPTZFTAKSKX-UHFFFAOYSA-N	1	1	373.501	2.487	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)[C@H](C)CO)c1C#N	ZINC000118959244	326113003	/nfs/dbraw/zinc/11/30/03/326113003.db2.gz	NBSNVROQOKCGNV-CQSZACIVSA-N	1	1	354.454	2.276	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)[C@H](C)CO)c1C#N	ZINC000118959244	326113006	/nfs/dbraw/zinc/11/30/06/326113006.db2.gz	NBSNVROQOKCGNV-CQSZACIVSA-N	1	1	354.454	2.276	20	30		FEEDMO
C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000119859698	326205697	/nfs/dbraw/zinc/20/56/97/326205697.db2.gz	UWRKFXJNNWYSHC-YJBOKZPZSA-N	1	1	368.481	2.057	20	30		FEEDMO
N#Cc1ccc(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)[nH]1	ZINC000120603867	326272128	/nfs/dbraw/zinc/27/21/28/326272128.db2.gz	HUVONXBGQNNSEA-UHFFFAOYSA-N	1	1	363.421	2.426	20	30		FEEDMO
C[N@H+](CCc1ccncc1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000121550507	326347439	/nfs/dbraw/zinc/34/74/39/326347439.db2.gz	QSGZBPINPOYVHJ-UHFFFAOYSA-N	1	1	360.421	2.252	20	30		FEEDMO
C[N@@H+](CCc1ccncc1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000121550507	326347442	/nfs/dbraw/zinc/34/74/42/326347442.db2.gz	QSGZBPINPOYVHJ-UHFFFAOYSA-N	1	1	360.421	2.252	20	30		FEEDMO
CCC[C@@H]1CN(CCC(=O)Nc2sccc2C#N)CC[N@H+]1CCOC	ZINC000121706711	326360031	/nfs/dbraw/zinc/36/00/31/326360031.db2.gz	MWVGVRZARTUYNL-MRXNPFEDSA-N	1	1	364.515	2.381	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC[C@@H]21	ZINC000122438257	326396817	/nfs/dbraw/zinc/39/68/17/326396817.db2.gz	BTOPUOIAJNHKPN-BBRMVZONSA-N	1	1	353.875	2.316	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(OC[C@H]2CCOC2)CC1	ZINC000131906927	326583815	/nfs/dbraw/zinc/58/38/15/326583815.db2.gz	XVIBZNUYRYOQIJ-RDJZCZTQSA-N	1	1	357.454	2.403	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000162996357	327040027	/nfs/dbraw/zinc/04/00/27/327040027.db2.gz	KWBPTZWCILVFAH-AEFFLSMTSA-N	1	1	369.465	2.421	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000163400873	327050581	/nfs/dbraw/zinc/05/05/81/327050581.db2.gz	WHVFVSNYEFSVJR-NVXWUHKLSA-N	1	1	359.470	2.019	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000171216143	327125289	/nfs/dbraw/zinc/12/52/89/327125289.db2.gz	PVQUZZYKCHLTRY-MRXNPFEDSA-N	1	1	366.469	2.231	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1	ZINC000172079693	327179784	/nfs/dbraw/zinc/17/97/84/327179784.db2.gz	WWRDHAMQQFVXAS-APWZRJJASA-N	1	1	358.486	2.494	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3CN3CCOCC3)o2)cc1	ZINC000174173745	327310610	/nfs/dbraw/zinc/31/06/10/327310610.db2.gz	SUBKOWAJTVHLJX-SFHVURJKSA-N	1	1	367.453	2.295	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3CN3CCOCC3)o2)cc1	ZINC000174173745	327310611	/nfs/dbraw/zinc/31/06/11/327310611.db2.gz	SUBKOWAJTVHLJX-SFHVURJKSA-N	1	1	367.453	2.295	20	30		FEEDMO
N#Cc1ccc(C[NH2+]CC(=O)N2CCN(c3cccc(Cl)c3)CC2)o1	ZINC000174379614	327323219	/nfs/dbraw/zinc/32/32/19/327323219.db2.gz	DACHLQYMJGSTAN-UHFFFAOYSA-N	1	1	358.829	2.243	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2cc(C#N)c[nH]2)C[C@H](C)O1	ZINC000175334670	327387549	/nfs/dbraw/zinc/38/75/49/327387549.db2.gz	WLWRPZMIEAMKLS-GASCZTMLSA-N	1	1	352.438	2.426	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2cc(C#N)c[nH]2)C[C@H](C)O1	ZINC000175334670	327387551	/nfs/dbraw/zinc/38/75/51/327387551.db2.gz	WLWRPZMIEAMKLS-GASCZTMLSA-N	1	1	352.438	2.426	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000265853489	329166563	/nfs/dbraw/zinc/16/65/63/329166563.db2.gz	QNBOXWLMEPCVLG-IBGZPJMESA-N	1	1	372.513	2.048	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000265853492	329166591	/nfs/dbraw/zinc/16/65/91/329166591.db2.gz	QNBOXWLMEPCVLG-LJQANCHMSA-N	1	1	372.513	2.048	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1	ZINC000267386445	329321438	/nfs/dbraw/zinc/32/14/38/329321438.db2.gz	NRVRAYOWVBJRDF-HXUWFJFHSA-N	1	1	371.481	2.225	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000275888809	330100270	/nfs/dbraw/zinc/10/02/70/330100270.db2.gz	FJQHPLKPGPCPDH-BBRMVZONSA-N	1	1	360.845	2.093	20	30		FEEDMO
N#Cc1ccc(OCCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1	ZINC000361448583	330204192	/nfs/dbraw/zinc/20/41/92/330204192.db2.gz	BAITVGLYNVHFDX-WDSOQIARSA-N	1	1	354.454	2.063	20	30		FEEDMO
C#CCCCS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000805011544	674312604	/nfs/dbraw/zinc/31/26/04/674312604.db2.gz	WYTNLPDYLLIKAG-INIZCTEOSA-N	1	1	370.902	2.343	20	30		FEEDMO
C#CCCCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1	ZINC000805011544	674312605	/nfs/dbraw/zinc/31/26/05/674312605.db2.gz	WYTNLPDYLLIKAG-INIZCTEOSA-N	1	1	370.902	2.343	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1F	ZINC000805221387	674326395	/nfs/dbraw/zinc/32/63/95/674326395.db2.gz	IXEQIWOIOJUQGB-KNXALSJPSA-N	1	1	353.825	2.172	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1F	ZINC000805221387	674326398	/nfs/dbraw/zinc/32/63/98/674326398.db2.gz	IXEQIWOIOJUQGB-KNXALSJPSA-N	1	1	353.825	2.172	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000554912896	674341106	/nfs/dbraw/zinc/34/11/06/674341106.db2.gz	OCHOFBJFFMDPNK-NSHDSACASA-N	1	1	374.304	2.328	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1	ZINC000155499206	545533673	/nfs/dbraw/zinc/53/36/73/545533673.db2.gz	NBGUAQDXOIXQFA-KRWDZBQOSA-N	1	1	356.470	2.289	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(=O)Nc1cccc(F)c1	ZINC000155551204	545541520	/nfs/dbraw/zinc/54/15/20/545541520.db2.gz	CAQGUSCXQZJMCU-CQSZACIVSA-N	1	1	368.416	2.027	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)Nc1cccc(F)c1	ZINC000155551204	545541526	/nfs/dbraw/zinc/54/15/26/545541526.db2.gz	CAQGUSCXQZJMCU-CQSZACIVSA-N	1	1	368.416	2.027	20	30		FEEDMO
Cc1cnn(CCCCC[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1	ZINC000155688756	545559444	/nfs/dbraw/zinc/55/94/44/545559444.db2.gz	XRJGUVDTZVWEFP-KRWDZBQOSA-N	1	1	353.474	2.234	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000156026578	545593258	/nfs/dbraw/zinc/59/32/58/545593258.db2.gz	CJLDOOFQDXXOLB-QFBILLFUSA-N	1	1	351.450	2.082	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1	ZINC000157068402	545695673	/nfs/dbraw/zinc/69/56/73/545695673.db2.gz	ASXOQKRVXVOMGA-AWEZNQCLSA-N	1	1	365.861	2.443	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1	ZINC000157068402	545695678	/nfs/dbraw/zinc/69/56/78/545695678.db2.gz	ASXOQKRVXVOMGA-AWEZNQCLSA-N	1	1	365.861	2.443	20	30		FEEDMO
CC[C@H](CC#N)NC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000157626765	545763216	/nfs/dbraw/zinc/76/32/16/545763216.db2.gz	PFXPZQMNSSTDLX-QGZVFWFLSA-N	1	1	371.485	2.207	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1	ZINC000160627885	546057997	/nfs/dbraw/zinc/05/79/97/546057997.db2.gz	BWXXUKOTZGDTIP-LGCLYSGLSA-N	1	1	367.449	2.032	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1	ZINC000164288180	546149614	/nfs/dbraw/zinc/14/96/14/546149614.db2.gz	VJFKTEULSKXSFG-IAGOWNOFSA-N	1	1	371.481	2.435	20	30		FEEDMO
CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@H]1COc2ccccc2O1	ZINC000479570588	561192126	/nfs/dbraw/zinc/19/21/26/561192126.db2.gz	XTCIOBAGOZFUKF-SFHVURJKSA-N	1	1	365.433	2.336	20	30		FEEDMO
CC[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@H]1COc2ccccc2O1	ZINC000479570588	561192127	/nfs/dbraw/zinc/19/21/27/561192127.db2.gz	XTCIOBAGOZFUKF-SFHVURJKSA-N	1	1	365.433	2.336	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[NH+](CC2CC2)CC1	ZINC000175936370	546375461	/nfs/dbraw/zinc/37/54/61/546375461.db2.gz	NLIIXFMSVNFALN-UHFFFAOYSA-N	1	1	372.494	2.185	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000175967702	546382151	/nfs/dbraw/zinc/38/21/51/546382151.db2.gz	MQKVWJSUXKPLLE-CYBMUJFWSA-N	1	1	360.433	2.263	20	30		FEEDMO
CCN(C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1)CC(F)(F)F	ZINC000176397774	546440608	/nfs/dbraw/zinc/44/06/08/546440608.db2.gz	XFLBQNIYVHRDDS-BBRMVZONSA-N	1	1	360.424	2.001	20	30		FEEDMO
Cc1ccc(NCCCNC(=O)NCCOc2ccc(C#N)cc2)[nH+]c1	ZINC000176881940	546500270	/nfs/dbraw/zinc/50/02/70/546500270.db2.gz	AVUFFRUGWLOZDD-UHFFFAOYSA-N	1	1	353.426	2.442	20	30		FEEDMO
CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1	ZINC000177035910	546529480	/nfs/dbraw/zinc/52/94/80/546529480.db2.gz	SIFGVGXCANGNGX-KRWDZBQOSA-N	1	1	354.903	2.485	20	30		FEEDMO
CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1	ZINC000177035910	546529485	/nfs/dbraw/zinc/52/94/85/546529485.db2.gz	SIFGVGXCANGNGX-KRWDZBQOSA-N	1	1	354.903	2.485	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)c1	ZINC000480738919	561215632	/nfs/dbraw/zinc/21/56/32/561215632.db2.gz	YPHJADXXCNBQTO-UHFFFAOYSA-N	1	1	374.441	2.053	20	30		FEEDMO
CN(C(=O)c1cc(C#N)cn1C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000178928925	546874792	/nfs/dbraw/zinc/87/47/92/546874792.db2.gz	YQJQQWQXPIQEQS-RTBURBONSA-N	1	1	371.529	2.306	20	30		FEEDMO
C=CCCS(=O)(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000179898221	547025746	/nfs/dbraw/zinc/02/57/46/547025746.db2.gz	LKKZLROZKQNVKZ-ZWKOTPCHSA-N	1	1	350.484	2.469	20	30		FEEDMO
C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000179898221	547025751	/nfs/dbraw/zinc/02/57/51/547025751.db2.gz	LKKZLROZKQNVKZ-ZWKOTPCHSA-N	1	1	350.484	2.469	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)N1CC[NH+](C)CC1	ZINC000180081900	547049229	/nfs/dbraw/zinc/04/92/29/547049229.db2.gz	NTOFQUJCDSLQRE-FUHWJXTLSA-N	1	1	373.501	2.371	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3c[nH]c(C#N)c3)cc2)C[C@H](C)O1	ZINC000181204854	547269382	/nfs/dbraw/zinc/26/93/82/547269382.db2.gz	AHADTHMYXIUKJL-GASCZTMLSA-N	1	1	352.438	2.426	20	30		FEEDMO
CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182594857	547518938	/nfs/dbraw/zinc/51/89/38/547518938.db2.gz	ZGUXOSHTVDZBDI-FUHWJXTLSA-N	1	1	355.438	2.329	20	30		FEEDMO
CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182594857	547518942	/nfs/dbraw/zinc/51/89/42/547518942.db2.gz	ZGUXOSHTVDZBDI-FUHWJXTLSA-N	1	1	355.438	2.329	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000182829542	547558630	/nfs/dbraw/zinc/55/86/30/547558630.db2.gz	AHYHYIMYJNKGMI-STQMWFEESA-N	1	1	357.380	2.299	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000182829542	547558635	/nfs/dbraw/zinc/55/86/35/547558635.db2.gz	AHYHYIMYJNKGMI-STQMWFEESA-N	1	1	357.380	2.299	20	30		FEEDMO
CC[C@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000182843676	547560775	/nfs/dbraw/zinc/56/07/75/547560775.db2.gz	SYBPTQYLERBKEK-LPHOPBHVSA-N	1	1	358.461	2.266	20	30		FEEDMO
COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)NC[C@H](C)C#N)CC2)c1C	ZINC000182868136	547563950	/nfs/dbraw/zinc/56/39/50/547563950.db2.gz	CKIWUEPVSYWYAW-CQSZACIVSA-N	1	1	373.501	2.473	20	30		FEEDMO
COc1cccc([C@@H]2[C@@H](NC(=O)C3(C#N)CCOCC3)CC[N@H+]2C2CC2)c1	ZINC000183266243	547630076	/nfs/dbraw/zinc/63/00/76/547630076.db2.gz	QXJBJRZXPITBAW-RBUKOAKNSA-N	1	1	369.465	2.410	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184602379	547851947	/nfs/dbraw/zinc/85/19/47/547851947.db2.gz	ATFZXXZBFSYSOJ-HUUCEWRRSA-N	1	1	367.457	2.381	20	30		FEEDMO
C[C@H]1C[C@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC[N@H+]1C	ZINC000184641997	547860114	/nfs/dbraw/zinc/86/01/14/547860114.db2.gz	PNFGYQVMZUAEEG-XJKSGUPXSA-N	1	1	353.430	2.085	20	30		FEEDMO
CC[N@@H+](CCO)CCNC(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000185416390	547982001	/nfs/dbraw/zinc/98/20/01/547982001.db2.gz	BHOXRBZGCJABED-AWEZNQCLSA-N	1	1	350.488	2.374	20	30		FEEDMO
C=CCSc1ccccc1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000485485709	561320296	/nfs/dbraw/zinc/32/02/96/561320296.db2.gz	BFBHEWPLYFFINT-UHFFFAOYSA-N	1	1	361.511	2.201	20	30		FEEDMO
C#CCC(C)(C)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000185725193	548025512	/nfs/dbraw/zinc/02/55/12/548025512.db2.gz	KXTCJEDSMAEGCR-GOSISDBHSA-N	1	1	355.482	2.050	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@H+]1C	ZINC000185786173	548035423	/nfs/dbraw/zinc/03/54/23/548035423.db2.gz	VRNRPQKIEZUNQR-OAHLLOKOSA-N	1	1	351.472	2.062	20	30		FEEDMO
COCC1=CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000185860348	548046959	/nfs/dbraw/zinc/04/69/59/548046959.db2.gz	IOEQYXZHISSWJY-UHFFFAOYSA-N	1	1	366.383	2.452	20	30		FEEDMO
COCC1=CC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000185860348	548046961	/nfs/dbraw/zinc/04/69/61/548046961.db2.gz	IOEQYXZHISSWJY-UHFFFAOYSA-N	1	1	366.383	2.452	20	30		FEEDMO
C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000186765875	548188622	/nfs/dbraw/zinc/18/86/22/548188622.db2.gz	SKCZUUOCDFCLHW-GFCCVEGCSA-N	1	1	357.426	2.379	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1	ZINC000188036333	548269835	/nfs/dbraw/zinc/26/98/35/548269835.db2.gz	VVQUMLJOFBKQOS-QGZVFWFLSA-N	1	1	358.486	2.094	20	30		FEEDMO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@H+](CCO)[C@H](C)C1	ZINC000188801550	548288873	/nfs/dbraw/zinc/28/88/73/548288873.db2.gz	ZUZGXXBOIGXRCZ-CYBMUJFWSA-N	1	1	372.387	2.409	20	30		FEEDMO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1	ZINC000188801550	548288879	/nfs/dbraw/zinc/28/88/79/548288879.db2.gz	ZUZGXXBOIGXRCZ-CYBMUJFWSA-N	1	1	372.387	2.409	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1	ZINC000192341401	548362539	/nfs/dbraw/zinc/36/25/39/548362539.db2.gz	FTNMJFLALSLSFN-CQSZACIVSA-N	1	1	368.437	2.063	20	30		FEEDMO
C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000486560350	561350813	/nfs/dbraw/zinc/35/08/13/561350813.db2.gz	NWCDWHKCJFVKEL-HTAPYJJXSA-N	1	1	363.461	2.415	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COc2cc(Cl)cc(C#N)c2)C1	ZINC000487390873	561369008	/nfs/dbraw/zinc/36/90/08/561369008.db2.gz	QDKCSFFPAYIEKV-QGZVFWFLSA-N	1	1	365.861	2.063	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1	ZINC000245714103	548981641	/nfs/dbraw/zinc/98/16/41/548981641.db2.gz	GPEDIHMMSIIKHG-APWZRJJASA-N	1	1	357.454	2.191	20	30		FEEDMO
N#Cc1cc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1F	ZINC000245838003	549001772	/nfs/dbraw/zinc/00/17/72/549001772.db2.gz	HJUZLEMKIZXNCF-ZWKOTPCHSA-N	1	1	368.412	2.454	20	30		FEEDMO
CCCN(CCC)S(=O)(=O)N1CC[NH+](CCCC(C)(C)C#N)CC1	ZINC000488186038	561385600	/nfs/dbraw/zinc/38/56/00/561385600.db2.gz	RBQDRXOFGKWVGS-UHFFFAOYSA-N	1	1	358.552	2.301	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3ccccc3[C@H]2C)CC1	ZINC000246165522	549067573	/nfs/dbraw/zinc/06/75/73/549067573.db2.gz	UXGAMKPEFQFXPJ-YLJYHZDGSA-N	1	1	354.498	2.298	20	30		FEEDMO
CCN(C[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1)CC(F)(F)F	ZINC000246201677	549075805	/nfs/dbraw/zinc/07/58/05/549075805.db2.gz	MSZDXOQEAIBIFW-GDBMZVCRSA-N	1	1	362.440	2.247	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1	ZINC000246254626	549089666	/nfs/dbraw/zinc/08/96/66/549089666.db2.gz	JVYVGELHRTWUPB-LZJOCLMNSA-N	1	1	369.465	2.074	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1	ZINC000246254626	549089669	/nfs/dbraw/zinc/08/96/69/549089669.db2.gz	JVYVGELHRTWUPB-LZJOCLMNSA-N	1	1	369.465	2.074	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000246439081	549133577	/nfs/dbraw/zinc/13/35/77/549133577.db2.gz	KTWINEWCNGNQRE-KUHUBIRLSA-N	1	1	361.417	2.346	20	30		FEEDMO
C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCO[C@@H](C#N)C3)cc2)C1	ZINC000246916533	549241788	/nfs/dbraw/zinc/24/17/88/549241788.db2.gz	AISIVCAVYGYQDO-LPHOPBHVSA-N	1	1	356.470	2.352	20	30		FEEDMO
C=CCCCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1	ZINC000489085609	561402920	/nfs/dbraw/zinc/40/29/20/561402920.db2.gz	TXVAMVPCLWLMRG-UHFFFAOYSA-N	1	1	352.500	2.499	20	30		FEEDMO
C=CCCCS(=O)(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1	ZINC000489085609	561402921	/nfs/dbraw/zinc/40/29/21/561402921.db2.gz	TXVAMVPCLWLMRG-UHFFFAOYSA-N	1	1	352.500	2.499	20	30		FEEDMO
Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCN(c3ncccc3C#N)CC2)c1	ZINC000247879451	549388663	/nfs/dbraw/zinc/38/86/63/549388663.db2.gz	QMTKLYJUGCPARI-IBGZPJMESA-N	1	1	366.465	2.132	20	30		FEEDMO
C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000489394510	561409934	/nfs/dbraw/zinc/40/99/34/561409934.db2.gz	CAXGNMRPGOYZJY-LPHOPBHVSA-N	1	1	369.465	2.409	20	30		FEEDMO
C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000489394510	561409935	/nfs/dbraw/zinc/40/99/35/561409935.db2.gz	CAXGNMRPGOYZJY-LPHOPBHVSA-N	1	1	369.465	2.409	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCCN(c4ccccn4)CC3)C2=O)cc1	ZINC000248903959	549525595	/nfs/dbraw/zinc/52/55/95/549525595.db2.gz	XULCDYZMWQZFOW-IBGZPJMESA-N	1	1	361.449	2.271	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CCCN(c4ccccn4)CC3)C2=O)cc1	ZINC000248903959	549525599	/nfs/dbraw/zinc/52/55/99/549525599.db2.gz	XULCDYZMWQZFOW-IBGZPJMESA-N	1	1	361.449	2.271	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]3C(N)=O)sc2C1	ZINC000249111019	549553204	/nfs/dbraw/zinc/55/32/04/549553204.db2.gz	NQFVJZJUASOJTK-FZMZJTMJSA-N	1	1	360.483	2.023	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H]3C(N)=O)sc2C1	ZINC000249111019	549553209	/nfs/dbraw/zinc/55/32/09/549553209.db2.gz	NQFVJZJUASOJTK-FZMZJTMJSA-N	1	1	360.483	2.023	20	30		FEEDMO
COCCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000249302991	549578920	/nfs/dbraw/zinc/57/89/20/549578920.db2.gz	CLNPIGHWOOELIT-CRAIPNDOSA-N	1	1	363.433	2.198	20	30		FEEDMO
COCCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000249302991	549578922	/nfs/dbraw/zinc/57/89/22/549578922.db2.gz	CLNPIGHWOOELIT-CRAIPNDOSA-N	1	1	363.433	2.198	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1	ZINC000253358712	549683773	/nfs/dbraw/zinc/68/37/73/549683773.db2.gz	RCMSJRODERWVFN-HUUCEWRRSA-N	1	1	372.469	2.132	20	30		FEEDMO
C=CCn1cccc1C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000490023007	561424800	/nfs/dbraw/zinc/42/48/00/561424800.db2.gz	DJJKBNDFSGZTFT-UHFFFAOYSA-N	1	1	368.481	2.434	20	30		FEEDMO
C[NH+]=C(NCc1cn[nH]c1C)NC[C@H](O)c1cc(Cl)cc(Cl)c1	ZINC000262013688	549779878	/nfs/dbraw/zinc/77/98/78/549779878.db2.gz	VIJRENJLRPSGNI-AWEZNQCLSA-N	1	1	356.257	2.424	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C(=O)OC)C2)c(OC)c1	ZINC000263880456	549950379	/nfs/dbraw/zinc/95/03/79/549950379.db2.gz	LLRPPUWNRZEXAI-IRXDYDNUSA-N	1	1	363.454	2.048	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264072068	549975454	/nfs/dbraw/zinc/97/54/54/549975454.db2.gz	BGQLHHDEZGAHJT-UHFFFAOYSA-N	1	1	365.437	2.057	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+](CCOCC)CC1	ZINC000264385095	549995324	/nfs/dbraw/zinc/99/53/24/549995324.db2.gz	PSOXWBMYAIKXJL-QGZVFWFLSA-N	1	1	365.543	2.305	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1	ZINC000265675378	550013227	/nfs/dbraw/zinc/01/32/27/550013227.db2.gz	ZAVIYZQGVAQEMD-CYBMUJFWSA-N	1	1	353.426	2.052	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1	ZINC000265675378	550013230	/nfs/dbraw/zinc/01/32/30/550013230.db2.gz	ZAVIYZQGVAQEMD-CYBMUJFWSA-N	1	1	353.426	2.052	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1	ZINC000268597399	550091608	/nfs/dbraw/zinc/09/16/08/550091608.db2.gz	PSVRKVRQPAXTRM-UHFFFAOYSA-N	1	1	374.485	2.269	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1	ZINC000269550650	550205476	/nfs/dbraw/zinc/20/54/76/550205476.db2.gz	FDFNDDLWSDPQJG-OAHLLOKOSA-N	1	1	360.433	2.120	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1	ZINC000269692705	550217767	/nfs/dbraw/zinc/21/77/67/550217767.db2.gz	KLGVZJQXDJVXIG-QGZVFWFLSA-N	1	1	363.465	2.202	20	30		FEEDMO
C=C[C@@H](CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1	ZINC000270322858	550261767	/nfs/dbraw/zinc/26/17/67/550261767.db2.gz	VFOQHZMTTYJBDS-PKOBYXMFSA-N	1	1	357.498	2.405	20	30		FEEDMO
C[N@H+](Cc1ccccc1)CC(C)(C)NCC(=O)N(CCC#N)CCC#N	ZINC000270411256	550269978	/nfs/dbraw/zinc/26/99/78/550269978.db2.gz	DUGSHLKUABFECU-UHFFFAOYSA-N	1	1	355.486	2.143	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)CC(C)(C)NCC(=O)N(CCC#N)CCC#N	ZINC000270411256	550269980	/nfs/dbraw/zinc/26/99/80/550269980.db2.gz	DUGSHLKUABFECU-UHFFFAOYSA-N	1	1	355.486	2.143	20	30		FEEDMO
COC[C@H](C)NC(=[NH2+])NC[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000270535834	550281051	/nfs/dbraw/zinc/28/10/51/550281051.db2.gz	AIZXXADZBLAEEY-NORZTCDRSA-N	1	1	356.873	2.411	20	30		FEEDMO
N#CCc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1	ZINC000270871081	550315827	/nfs/dbraw/zinc/31/58/27/550315827.db2.gz	ODHIQTHIZRYQQP-NHCUHLMSSA-N	1	1	363.461	2.365	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1	ZINC000271269487	550359568	/nfs/dbraw/zinc/35/95/68/550359568.db2.gz	MEEZGBLPZKMGOF-VQIMIIECSA-N	1	1	356.470	2.343	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)C1CC1	ZINC000271472853	550378013	/nfs/dbraw/zinc/37/80/13/550378013.db2.gz	RIMWFDPGXPTISY-SFHVURJKSA-N	1	1	355.438	2.019	20	30		FEEDMO
C=CC[N@H+](CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)C1CC1	ZINC000271472853	550378016	/nfs/dbraw/zinc/37/80/16/550378016.db2.gz	RIMWFDPGXPTISY-SFHVURJKSA-N	1	1	355.438	2.019	20	30		FEEDMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C	ZINC000271882512	550408094	/nfs/dbraw/zinc/40/80/94/550408094.db2.gz	ZSRSFOHABFLHRG-NWDGAFQWSA-N	1	1	370.375	2.496	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C	ZINC000271882512	550408096	/nfs/dbraw/zinc/40/80/96/550408096.db2.gz	ZSRSFOHABFLHRG-NWDGAFQWSA-N	1	1	370.375	2.496	20	30		FEEDMO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C	ZINC000271882509	550408301	/nfs/dbraw/zinc/40/83/01/550408301.db2.gz	ZSRSFOHABFLHRG-NEPJUHHUSA-N	1	1	370.375	2.496	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C	ZINC000271882509	550408302	/nfs/dbraw/zinc/40/83/02/550408302.db2.gz	ZSRSFOHABFLHRG-NEPJUHHUSA-N	1	1	370.375	2.496	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1	ZINC000271989211	550414857	/nfs/dbraw/zinc/41/48/57/550414857.db2.gz	DODBOGOQAITNRF-KRWDZBQOSA-N	1	1	365.399	2.452	20	30		FEEDMO
C#CCC[NH+]1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1	ZINC000271991722	550415252	/nfs/dbraw/zinc/41/52/52/550415252.db2.gz	FAAWYDSUHNNAKM-UHFFFAOYSA-N	1	1	365.231	2.233	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1	ZINC000272012330	550416320	/nfs/dbraw/zinc/41/63/20/550416320.db2.gz	KPAPBHVHYSIAEA-LJQANCHMSA-N	1	1	352.482	2.271	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1	ZINC000273105294	550485040	/nfs/dbraw/zinc/48/50/40/550485040.db2.gz	MYBLIITUNURBBL-HOCLYGCPSA-N	1	1	368.275	2.127	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21	ZINC000273241878	550491208	/nfs/dbraw/zinc/49/12/08/550491208.db2.gz	WVWOHXFBYCNBCQ-NVXWUHKLSA-N	1	1	358.442	2.141	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+]1CCCN(c2ncc(Cl)c(C)c2C#N)CC1	ZINC000273292461	550493038	/nfs/dbraw/zinc/49/30/38/550493038.db2.gz	FTNWKZQAFCNNDJ-UHFFFAOYSA-N	1	1	363.893	2.296	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(c2ncc(Cl)c(C)c2C#N)CC1	ZINC000273292461	550493040	/nfs/dbraw/zinc/49/30/40/550493040.db2.gz	FTNWKZQAFCNNDJ-UHFFFAOYSA-N	1	1	363.893	2.296	20	30		FEEDMO
C[C@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)N1CC[NH+](C)CC1	ZINC000273544626	550502614	/nfs/dbraw/zinc/50/26/14/550502614.db2.gz	UKTWDSLCXMOITB-BXUZGUMPSA-N	1	1	355.269	2.310	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(-c3noc(C4(C#N)CCC4)n3)cc2)CC1	ZINC000273756221	550510493	/nfs/dbraw/zinc/51/04/93/550510493.db2.gz	NZWPLQGGQDCVGV-UHFFFAOYSA-N	1	1	351.410	2.069	20	30		FEEDMO
C=CCCCCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000274587478	550544949	/nfs/dbraw/zinc/54/49/49/550544949.db2.gz	OSJAMGUWCAQKRV-UHFFFAOYSA-N	1	1	358.486	2.230	20	30		FEEDMO
C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(F)c1	ZINC000274860252	550560220	/nfs/dbraw/zinc/56/02/20/550560220.db2.gz	HXJSGRKYXAVCOE-QEORTHHSSA-N	1	1	365.424	2.284	20	30		FEEDMO
CN(C)C1(C#N)CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1	ZINC000275009373	550570029	/nfs/dbraw/zinc/57/00/29/550570029.db2.gz	DWZXJZWESUEBGL-ROUUACIJSA-N	1	1	355.486	2.061	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCc2cc[nH]c(=O)c2C1	ZINC000276995948	550619604	/nfs/dbraw/zinc/61/96/04/550619604.db2.gz	VMFIQAMPDXTFIZ-OAHLLOKOSA-N	1	1	350.422	2.481	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2cc[nH]c(=O)c2C1	ZINC000276995948	550619605	/nfs/dbraw/zinc/61/96/05/550619605.db2.gz	VMFIQAMPDXTFIZ-OAHLLOKOSA-N	1	1	350.422	2.481	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)cc1	ZINC000277582791	550687556	/nfs/dbraw/zinc/68/75/56/550687556.db2.gz	UDRDBGFKIHGDBZ-MRXNPFEDSA-N	1	1	374.485	2.225	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000277637428	550694916	/nfs/dbraw/zinc/69/49/16/550694916.db2.gz	BUSATSJTUREFDX-GOSISDBHSA-N	1	1	372.494	2.358	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000277637428	550694918	/nfs/dbraw/zinc/69/49/18/550694918.db2.gz	BUSATSJTUREFDX-GOSISDBHSA-N	1	1	372.494	2.358	20	30		FEEDMO
CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)n1	ZINC000277927692	550729924	/nfs/dbraw/zinc/72/99/24/550729924.db2.gz	YLLSFEJFBGLVDG-UHFFFAOYSA-N	1	1	357.389	2.372	20	30		FEEDMO
C#CCn1ccc(CN(CC)c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)n1	ZINC000278791526	550822472	/nfs/dbraw/zinc/82/24/72/550822472.db2.gz	GYPMJTHCHSJEGH-UHFFFAOYSA-N	1	1	366.425	2.085	20	30		FEEDMO
C#CCC(CC#C)C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1	ZINC000278903142	550834217	/nfs/dbraw/zinc/83/42/17/550834217.db2.gz	PWTGHTHBYCBCBU-UHFFFAOYSA-N	1	1	351.494	2.103	20	30		FEEDMO
CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1	ZINC000278939472	550838223	/nfs/dbraw/zinc/83/82/23/550838223.db2.gz	UGSDXJNHAHCVFJ-KRWDZBQOSA-N	1	1	361.511	2.488	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c(-c2ccncc2)n1	ZINC000279483903	550895369	/nfs/dbraw/zinc/89/53/69/550895369.db2.gz	XDTREGWDQXDXRF-GOSISDBHSA-N	1	1	364.453	2.055	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(O)(Cc2cccc(C)c2)CC1	ZINC000280370177	550986057	/nfs/dbraw/zinc/98/60/57/550986057.db2.gz	KIYOGELEABVGCX-GOSISDBHSA-N	1	1	357.498	2.373	20	30		FEEDMO
C[C@H]1OCC[C@]12C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCO2	ZINC000280472338	550997735	/nfs/dbraw/zinc/99/77/35/550997735.db2.gz	PBGGSHIVOHACER-ACJLOTCBSA-N	1	1	363.845	2.420	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1	ZINC000280542084	551005691	/nfs/dbraw/zinc/00/56/91/551005691.db2.gz	SMSGBVZKMVECBS-KDURUIRLSA-N	1	1	367.474	2.311	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000280740527	551027116	/nfs/dbraw/zinc/02/71/16/551027116.db2.gz	WTPHLONZIMIURF-UHFFFAOYSA-N	1	1	352.438	2.354	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)CCCCOc2cccc(C#N)c2)CC1(C)C	ZINC000281886694	551153122	/nfs/dbraw/zinc/15/31/22/551153122.db2.gz	XTGXBPZMXZYBEB-UHFFFAOYSA-N	1	1	372.513	2.250	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)[C@H]2C1	ZINC000282349323	551215146	/nfs/dbraw/zinc/21/51/46/551215146.db2.gz	PEULDMKIRVZPTR-NHYWBVRUSA-N	1	1	373.400	2.292	20	30		FEEDMO
C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[NH+](CCOCC)CC1	ZINC000282580806	551248485	/nfs/dbraw/zinc/24/84/85/551248485.db2.gz	LEMWORIFPGHXQI-UHFFFAOYSA-N	1	1	359.474	2.499	20	30		FEEDMO
C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000282671126	551257983	/nfs/dbraw/zinc/25/79/83/551257983.db2.gz	RWPVWDSRXNRUFK-SFHVURJKSA-N	1	1	371.533	2.494	20	30		FEEDMO
CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)c1ccsc1	ZINC000283119254	551314445	/nfs/dbraw/zinc/31/44/45/551314445.db2.gz	YSCAXNNQCVTJBC-DZGCQCFKSA-N	1	1	358.533	2.199	20	30		FEEDMO
CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)c1ccsc1	ZINC000283119261	551314480	/nfs/dbraw/zinc/31/44/80/551314480.db2.gz	YSCAXNNQCVTJBC-HIFRSBDPSA-N	1	1	358.533	2.199	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(F)c1	ZINC000283125870	551315650	/nfs/dbraw/zinc/31/56/50/551315650.db2.gz	CCYBNSNDRWASET-AGUYFDCRSA-N	1	1	361.392	2.016	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)c(F)c1	ZINC000283319094	551347298	/nfs/dbraw/zinc/34/72/98/551347298.db2.gz	QEABAVOHFFBDDM-AWEZNQCLSA-N	1	1	363.408	2.075	20	30		FEEDMO
C[C@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1	ZINC000283534109	551383037	/nfs/dbraw/zinc/38/30/37/551383037.db2.gz	DKSOICIYUBEUAK-MAUKXSAKSA-N	1	1	356.470	2.068	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)C1	ZINC000283616930	551397747	/nfs/dbraw/zinc/39/77/47/551397747.db2.gz	VVWYNGRDUIGLAU-QGZVFWFLSA-N	1	1	368.485	2.434	20	30		FEEDMO
C=CCCCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1	ZINC000283830705	551434461	/nfs/dbraw/zinc/43/44/61/551434461.db2.gz	GQRIDGQMFIFRDT-UHFFFAOYSA-N	1	1	365.424	2.128	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1	ZINC000498856264	561535958	/nfs/dbraw/zinc/53/59/58/561535958.db2.gz	OHXYETUIUSESFJ-UHFFFAOYSA-N	1	1	355.482	2.012	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C2(CO)CC2)c1C#N	ZINC000285545695	551772783	/nfs/dbraw/zinc/77/27/83/551772783.db2.gz	QGTBKDPSOXPMQQ-UHFFFAOYSA-N	1	1	356.426	2.013	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C2(CO)CC2)c1C#N	ZINC000285545695	551772784	/nfs/dbraw/zinc/77/27/84/551772784.db2.gz	QGTBKDPSOXPMQQ-UHFFFAOYSA-N	1	1	356.426	2.013	20	30		FEEDMO
CCNC(=O)OC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000285759371	551806547	/nfs/dbraw/zinc/80/65/47/551806547.db2.gz	WZTKVRYKFHUCMO-INIZCTEOSA-N	1	1	358.442	2.487	20	30		FEEDMO
C[N@H+](CCc1nc(-c2ccccc2)no1)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000285847651	551818533	/nfs/dbraw/zinc/81/85/33/551818533.db2.gz	HXWDYZOBEBKULZ-LJQANCHMSA-N	1	1	353.426	2.019	20	30		FEEDMO
C[N@@H+](CCc1nc(-c2ccccc2)no1)CC(=O)N[C@](C)(C#N)C1CC1	ZINC000285847651	551818534	/nfs/dbraw/zinc/81/85/34/551818534.db2.gz	HXWDYZOBEBKULZ-LJQANCHMSA-N	1	1	353.426	2.019	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)NCCCCN2CC[NH+](CC)CC2)cc1	ZINC000286561904	551900348	/nfs/dbraw/zinc/90/03/48/551900348.db2.gz	IJAWPFGQPLVYNR-UHFFFAOYSA-N	1	1	374.529	2.468	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000287081347	551961244	/nfs/dbraw/zinc/96/12/44/551961244.db2.gz	OGDVWFGQPQDWOR-HNNXBMFYSA-N	1	1	360.433	2.344	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1	ZINC000287279349	551984540	/nfs/dbraw/zinc/98/45/40/551984540.db2.gz	SYMWMJXOFMGUSD-UHFFFAOYSA-N	1	1	360.502	2.077	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(C#N)c1C	ZINC000287285668	551985329	/nfs/dbraw/zinc/98/53/29/551985329.db2.gz	IIWSSZILGWMLBB-ZFWWWQNUSA-N	1	1	358.442	2.039	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(C#N)c1C	ZINC000287285668	551985331	/nfs/dbraw/zinc/98/53/31/551985331.db2.gz	IIWSSZILGWMLBB-ZFWWWQNUSA-N	1	1	358.442	2.039	20	30		FEEDMO
CC[C@@](C)(C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000287367064	551995154	/nfs/dbraw/zinc/99/51/54/551995154.db2.gz	NYWSTAOEMTYFNO-FPOVZHCZSA-N	1	1	354.498	2.345	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc(-c3noc(C(F)F)n3)cc2)CC1	ZINC000287451856	552005937	/nfs/dbraw/zinc/00/59/37/552005937.db2.gz	GNGCPJVLVMIAHL-UHFFFAOYSA-N	1	1	360.364	2.455	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](C(=O)N4CCCC4)C3)o2)cc1	ZINC000287597886	552023558	/nfs/dbraw/zinc/02/35/58/552023558.db2.gz	YPSSMEZHAKRXNW-MRXNPFEDSA-N	1	1	351.410	2.053	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(C)C	ZINC000287621781	552026503	/nfs/dbraw/zinc/02/65/03/552026503.db2.gz	PPGZJXGXVPRYON-DLBZAZTESA-N	1	1	368.543	2.016	20	30		FEEDMO
C#CCN1CCC(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1	ZINC000288360209	552140301	/nfs/dbraw/zinc/14/03/01/552140301.db2.gz	KOTJJSQSNQVGCP-HSZRJFAPSA-N	1	1	365.521	2.456	20	30		FEEDMO
C#CCN1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1	ZINC000288360209	552140304	/nfs/dbraw/zinc/14/03/04/552140304.db2.gz	KOTJJSQSNQVGCP-HSZRJFAPSA-N	1	1	365.521	2.456	20	30		FEEDMO
Cc1onc(CC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1C#N	ZINC000499845103	561559655	/nfs/dbraw/zinc/55/96/55/561559655.db2.gz	FSOYDECPXJVKPP-KRWDZBQOSA-N	1	1	352.438	2.078	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000289141486	552272282	/nfs/dbraw/zinc/27/22/82/552272282.db2.gz	KCRDNKDTHSDNBR-IEBWSBKVSA-N	1	1	359.495	2.337	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000289141487	552272355	/nfs/dbraw/zinc/27/23/55/552272355.db2.gz	KCRDNKDTHSDNBR-MJGOQNOKSA-N	1	1	359.495	2.337	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000500351187	561570523	/nfs/dbraw/zinc/57/05/23/561570523.db2.gz	BHNUOHPRVASAAX-IYWMVGAKSA-N	1	1	361.482	2.017	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000289613082	552349757	/nfs/dbraw/zinc/34/97/57/552349757.db2.gz	YONPRZFKPJLJRK-MAUKXSAKSA-N	1	1	370.478	2.285	20	30		FEEDMO
CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)c1ccsc1	ZINC000289790793	552378696	/nfs/dbraw/zinc/37/86/96/552378696.db2.gz	MHOPXVCKHWLMOW-INIZCTEOSA-N	1	1	364.496	2.376	20	30		FEEDMO
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000290046639	552419034	/nfs/dbraw/zinc/41/90/34/552419034.db2.gz	LYNZLFHEUQCHLW-GFCCVEGCSA-N	1	1	350.850	2.387	20	30		FEEDMO
C=CCn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000290116491	552429466	/nfs/dbraw/zinc/42/94/66/552429466.db2.gz	FVNDMCHRJKDJLL-OAHLLOKOSA-N	1	1	356.474	2.149	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1	ZINC000290832423	552545777	/nfs/dbraw/zinc/54/57/77/552545777.db2.gz	POWAJVLHNXXNMU-AWEZNQCLSA-N	1	1	360.433	2.120	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1	ZINC000290832424	552545797	/nfs/dbraw/zinc/54/57/97/552545797.db2.gz	POWAJVLHNXXNMU-CQSZACIVSA-N	1	1	360.433	2.120	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000291636945	552646251	/nfs/dbraw/zinc/64/62/51/552646251.db2.gz	BZNUORNUOFBJKV-QZTJIDSGSA-N	1	1	371.485	2.236	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1	ZINC000291706614	552652934	/nfs/dbraw/zinc/65/29/34/552652934.db2.gz	IIPGLQONSSNXHY-RTWAWAEBSA-N	1	1	355.482	2.112	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1	ZINC000291706614	552652935	/nfs/dbraw/zinc/65/29/35/552652935.db2.gz	IIPGLQONSSNXHY-RTWAWAEBSA-N	1	1	355.482	2.112	20	30		FEEDMO
C[C@@H](c1ccccc1)[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)C(N)=O	ZINC000292366675	552719949	/nfs/dbraw/zinc/71/99/49/552719949.db2.gz	YIDGHRCDADVDSV-JXFKEZNVSA-N	1	1	364.449	2.180	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)COCc3cccs3)C2)nc1	ZINC000292375442	552720845	/nfs/dbraw/zinc/72/08/45/552720845.db2.gz	YWBXTHOQEMDWLK-JKSUJKDBSA-N	1	1	359.451	2.046	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CC[N@@H+]1CCOC	ZINC000501606535	561601863	/nfs/dbraw/zinc/60/18/63/561601863.db2.gz	XHRIEQNVPWOGDQ-CQSZACIVSA-N	1	1	350.850	2.180	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CC[N@H+]1CCOC	ZINC000501606535	561601864	/nfs/dbraw/zinc/60/18/64/561601864.db2.gz	XHRIEQNVPWOGDQ-CQSZACIVSA-N	1	1	350.850	2.180	20	30		FEEDMO
C=CCC(F)(F)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000293477023	552827774	/nfs/dbraw/zinc/82/77/74/552827774.db2.gz	SDVBCTFKNKJSGN-INIZCTEOSA-N	1	1	365.424	2.212	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1	ZINC000293910579	552867103	/nfs/dbraw/zinc/86/71/03/552867103.db2.gz	GAZFBQLQFZAWIR-UHFFFAOYSA-N	1	1	360.845	2.394	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1	ZINC000293958763	552871030	/nfs/dbraw/zinc/87/10/30/552871030.db2.gz	KUHZDHMFUGIYFX-UHFFFAOYSA-N	1	1	371.359	2.482	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1	ZINC000294090344	552881095	/nfs/dbraw/zinc/88/10/95/552881095.db2.gz	XLNXSOOZRBRQJI-UHFFFAOYSA-N	1	1	362.495	2.088	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000294174921	552887997	/nfs/dbraw/zinc/88/79/97/552887997.db2.gz	JQFUUVHJOMDLTR-KGLIPLIRSA-N	1	1	353.463	2.237	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)[N@H+]1CCC[C@H](C)C1	ZINC000294338679	552898330	/nfs/dbraw/zinc/89/83/30/552898330.db2.gz	JRMVCEVEORUYQX-KBPBESRZSA-N	1	1	353.463	2.237	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2)CC1	ZINC000294628435	552921876	/nfs/dbraw/zinc/92/18/76/552921876.db2.gz	UBVHBPPIIAFLSR-OAQYLSRUSA-N	1	1	366.465	2.487	20	30		FEEDMO
C[C@H]1C[N@H+](CCN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCO1	ZINC000501849276	561606620	/nfs/dbraw/zinc/60/66/20/561606620.db2.gz	INPKEFWGHMPCJB-QFBILLFUSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@H]1C[N@@H+](CCN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCO1	ZINC000501849276	561606621	/nfs/dbraw/zinc/60/66/21/561606621.db2.gz	INPKEFWGHMPCJB-QFBILLFUSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@H]1CN(CC[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCO1	ZINC000501849276	561606622	/nfs/dbraw/zinc/60/66/22/561606622.db2.gz	INPKEFWGHMPCJB-QFBILLFUSA-N	1	1	362.905	2.243	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1	ZINC000295413454	553002307	/nfs/dbraw/zinc/00/23/07/553002307.db2.gz	SPCFUGONQGQTRG-CYBMUJFWSA-N	1	1	356.470	2.151	20	30		FEEDMO
CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000502177619	561613720	/nfs/dbraw/zinc/61/37/20/561613720.db2.gz	YOBZIGBOFRDZGE-OAHLLOKOSA-N	1	1	356.470	2.369	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000502373606	561617325	/nfs/dbraw/zinc/61/73/25/561617325.db2.gz	IAXNQZLGUSPCGX-OAHLLOKOSA-N	1	1	359.474	2.020	20	30		FEEDMO
C=CCNC(=O)C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000502373606	561617326	/nfs/dbraw/zinc/61/73/26/561617326.db2.gz	IAXNQZLGUSPCGX-OAHLLOKOSA-N	1	1	359.474	2.020	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(NC(=O)C2CCC2)c1	ZINC000296137604	553110981	/nfs/dbraw/zinc/11/09/81/553110981.db2.gz	DCDZMMXNFHLYIU-UHFFFAOYSA-N	1	1	356.470	2.180	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1	ZINC000296169114	553115854	/nfs/dbraw/zinc/11/58/54/553115854.db2.gz	NLBXZNMQKCTNAM-ICSRJNTNSA-N	1	1	356.466	2.383	20	30		FEEDMO
C[C@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+](C2CC2)C1	ZINC000296695562	553199046	/nfs/dbraw/zinc/19/90/46/553199046.db2.gz	KFRWRSHBEBYKJM-OXQOHEQNSA-N	1	1	352.482	2.470	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1	ZINC000296766861	553208812	/nfs/dbraw/zinc/20/88/12/553208812.db2.gz	GCZHSBDQPLUEPQ-UHFFFAOYSA-N	1	1	351.454	2.317	20	30		FEEDMO
C#Cc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1	ZINC000297169379	553258742	/nfs/dbraw/zinc/25/87/42/553258742.db2.gz	ACIMTNYLBRSWKI-YOFSQIOKSA-N	1	1	355.482	2.451	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N(CCc1ccccn1)Cc1ccncc1	ZINC000297450410	553293677	/nfs/dbraw/zinc/29/36/77/553293677.db2.gz	JVDNIAAWQYXUNR-UHFFFAOYSA-N	1	1	365.481	2.186	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000297726810	553330539	/nfs/dbraw/zinc/33/05/39/553330539.db2.gz	IWWXHJPNKSJYJB-KDURUIRLSA-N	1	1	355.482	2.001	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000297894872	553353981	/nfs/dbraw/zinc/35/39/81/553353981.db2.gz	VUEHGIMDBOJTBI-IBGZPJMESA-N	1	1	357.498	2.392	20	30		FEEDMO
Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)nn1-c1cccc(C#N)c1	ZINC000503419854	561640898	/nfs/dbraw/zinc/64/08/98/561640898.db2.gz	HTFWEHNPIQLDTF-IFXJQAMLSA-N	1	1	351.454	2.465	20	30		FEEDMO
N#Cc1ccnc(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1	ZINC000298578164	553443274	/nfs/dbraw/zinc/44/32/74/553443274.db2.gz	CLDHZVGICKXJJW-UHFFFAOYSA-N	1	1	374.510	2.197	20	30		FEEDMO
N#Cc1ccnc(N2CC[NH+](C[C@H](O)COc3ccccc3Cl)CC2)c1	ZINC000298583250	553444040	/nfs/dbraw/zinc/44/40/40/553444040.db2.gz	NCLCHIGOLYEMQD-INIZCTEOSA-N	1	1	372.856	2.169	20	30		FEEDMO
N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1	ZINC000298726315	553464527	/nfs/dbraw/zinc/46/45/27/553464527.db2.gz	KIRXYDGUPVNUDH-QUCCMNQESA-N	1	1	367.497	2.407	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2ccc(/N=C/c3cccc(O)c3O)cc2)CC1	ZINC000298769143	553470679	/nfs/dbraw/zinc/47/06/79/553470679.db2.gz	HLPYLLUKGABUIP-KGENOOAVSA-N	1	1	353.422	2.165	20	30		FEEDMO
CCCCNC(=O)[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000299476134	553568535	/nfs/dbraw/zinc/56/85/35/553568535.db2.gz	WZFYFGCROVHACA-HKUYNNGSSA-N	1	1	368.481	2.292	20	30		FEEDMO
N#Cc1cc(S(N)(=O)=O)ccc1NCCC[N@H+]1CCc2ccccc2C1	ZINC000301342833	553643985	/nfs/dbraw/zinc/64/39/85/553643985.db2.gz	JFWNSAMTBYBNLT-UHFFFAOYSA-N	1	1	370.478	2.066	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCCCNc2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000301388730	553647993	/nfs/dbraw/zinc/64/79/93/553647993.db2.gz	YRFVGOZTGZYNBD-AWEZNQCLSA-N	1	1	350.488	2.130	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N=c1[nH]n(C)cc1C#N	ZINC000602881978	553658776	/nfs/dbraw/zinc/65/87/76/553658776.db2.gz	MYGIOLUAMMVGRT-RHSMWYFYSA-N	1	1	352.442	2.181	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N=c1[nH]n(C)cc1C#N	ZINC000602881978	553658780	/nfs/dbraw/zinc/65/87/80/553658780.db2.gz	MYGIOLUAMMVGRT-RHSMWYFYSA-N	1	1	352.442	2.181	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1C#N	ZINC000603115120	553711205	/nfs/dbraw/zinc/71/12/05/553711205.db2.gz	AYBWZTKHVXEQGT-UXLLHSPISA-N	1	1	357.458	2.367	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1C#N	ZINC000603115120	553711206	/nfs/dbraw/zinc/71/12/06/553711206.db2.gz	AYBWZTKHVXEQGT-UXLLHSPISA-N	1	1	357.458	2.367	20	30		FEEDMO
N#Cc1cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc2ccccc12	ZINC000603422796	553784835	/nfs/dbraw/zinc/78/48/35/553784835.db2.gz	JAZFHJIBBIXVHM-SFHVURJKSA-N	1	1	365.481	2.315	20	30		FEEDMO
O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@@H](N2CCCC2=O)C1	ZINC000328613670	553796072	/nfs/dbraw/zinc/79/60/72/553796072.db2.gz	QNFSBLWBHUUPHN-QZTJIDSGSA-N	1	1	362.518	2.394	20	30		FEEDMO
O=C(NCC1(N2CCOCC2)CCCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	ZINC000328645723	553802057	/nfs/dbraw/zinc/80/20/57/553802057.db2.gz	GNMREDBKWINCPO-MSOLQXFVSA-N	1	1	364.534	2.152	20	30		FEEDMO
O=C(NCC1(N2CCOCC2)CCCCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000328645723	553802060	/nfs/dbraw/zinc/80/20/60/553802060.db2.gz	GNMREDBKWINCPO-MSOLQXFVSA-N	1	1	364.534	2.152	20	30		FEEDMO
Cn1cc(-c2nc(C(=O)NC3CCN(c4[nH+]ccn4C)CC3)cs2)cn1	ZINC000328772523	553820275	/nfs/dbraw/zinc/82/02/75/553820275.db2.gz	RNHVNTYJJNLJER-UHFFFAOYSA-N	1	1	371.470	2.251	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCSC1	ZINC000328824103	553828345	/nfs/dbraw/zinc/82/83/45/553828345.db2.gz	RJPNHDBPEPEVQA-IBGZPJMESA-N	1	1	372.538	2.030	20	30		FEEDMO
Cn1ccnc1C[NH+]1CCC(C(=O)NCc2cn3c(n2)CCCC3)CC1	ZINC000328844912	553831897	/nfs/dbraw/zinc/83/18/97/553831897.db2.gz	QCJDJWXFUZIOCY-UHFFFAOYSA-N	1	1	356.474	2.322	20	30		FEEDMO
Cc1[nH+]ccn1CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1	ZINC000328862346	553834838	/nfs/dbraw/zinc/83/48/38/553834838.db2.gz	VRXFHNYZNMGUKK-UHFFFAOYSA-N	1	1	370.409	2.447	20	30		FEEDMO
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)C2=O	ZINC000328923081	553845629	/nfs/dbraw/zinc/84/56/29/553845629.db2.gz	MXDGBYZSXJGTNF-CUYVQJCZSA-N	1	1	362.474	2.275	20	30		FEEDMO
C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000328954679	553852599	/nfs/dbraw/zinc/85/25/99/553852599.db2.gz	IOAYALHSYDSQRK-QKLQHJQFSA-N	1	1	368.437	2.360	20	30		FEEDMO
CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC000329032703	553868596	/nfs/dbraw/zinc/86/85/96/553868596.db2.gz	QDYRMPCMBOUORP-LZLYRXPVSA-N	1	1	363.506	2.134	20	30		FEEDMO
CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1	ZINC000329038008	553868987	/nfs/dbraw/zinc/86/89/87/553868987.db2.gz	ZKTXULOIRXFTAG-JYJNAYRXSA-N	1	1	352.479	2.322	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329036648	553869110	/nfs/dbraw/zinc/86/91/10/553869110.db2.gz	YXDQUKIQQLZKRT-SJORKVTESA-N	1	1	365.522	2.045	20	30		FEEDMO
CN1CCOC[C@@H]1C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000329049728	553871515	/nfs/dbraw/zinc/87/15/15/553871515.db2.gz	WCQZBJDJARDPOP-QZTJIDSGSA-N	1	1	374.485	2.221	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1	ZINC000329081362	553876901	/nfs/dbraw/zinc/87/69/01/553876901.db2.gz	RRTSRFLVQRJGFK-IKGGRYGDSA-N	1	1	363.506	2.122	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O	ZINC000329112366	553882478	/nfs/dbraw/zinc/88/24/78/553882478.db2.gz	HBOLQFUJGKLHGM-SSHHRWTQSA-N	1	1	364.490	2.234	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)C1	ZINC000329116385	553883023	/nfs/dbraw/zinc/88/30/23/553883023.db2.gz	IOHLTCFZKKBBKC-JKSUJKDBSA-N	1	1	373.453	2.461	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000329116738	553883197	/nfs/dbraw/zinc/88/31/97/553883197.db2.gz	ISERNIXTWSSFCE-XDNAFOTISA-N	1	1	353.507	2.027	20	30		FEEDMO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000329157120	553891602	/nfs/dbraw/zinc/89/16/02/553891602.db2.gz	CGYAAIMJJYFLME-DMUMMCEESA-N	1	1	365.518	2.169	20	30		FEEDMO
O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1CCc2[nH]nnc2C1	ZINC000329166181	553893483	/nfs/dbraw/zinc/89/34/83/553893483.db2.gz	HYGKHNFEWMBKKN-CQSZACIVSA-N	1	1	355.442	2.155	20	30		FEEDMO
O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)[C@H]1CCC[N@H+]1C1CCCC1	ZINC000329172924	553894899	/nfs/dbraw/zinc/89/48/99/553894899.db2.gz	AJUUFVMXRAWDGC-KYJSFNMBSA-N	1	1	370.515	2.086	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1	ZINC000329175584	553895477	/nfs/dbraw/zinc/89/54/77/553895477.db2.gz	BOKIISOWRUBZIJ-LZLYRXPVSA-N	1	1	361.490	2.161	20	30		FEEDMO
CC(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1	ZINC000329173555	553895654	/nfs/dbraw/zinc/89/56/54/553895654.db2.gz	KXCVWMLQRFFJEX-XYJFISCASA-N	1	1	361.490	2.018	20	30		FEEDMO
O=C(NCc1ccccc1)NC1(C(=O)N2CC[NH+](C3CC3)CC2)CCCC1	ZINC000329176187	553896112	/nfs/dbraw/zinc/89/61/12/553896112.db2.gz	BTRQLAFVAVEMQG-UHFFFAOYSA-N	1	1	370.497	2.310	20	30		FEEDMO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)NCC1=CC[N@@H+](C)CC1	ZINC000329211923	553903291	/nfs/dbraw/zinc/90/32/91/553903291.db2.gz	HKSJUGOPLVNQIV-UHFFFAOYSA-N	1	1	357.458	2.442	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)[C@@H]2C1	ZINC000329242006	553909138	/nfs/dbraw/zinc/90/91/38/553909138.db2.gz	AAEHXXAUPFOYNR-VQIMIIECSA-N	1	1	370.497	2.497	20	30		FEEDMO
CN(C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000329252557	553911328	/nfs/dbraw/zinc/91/13/28/553911328.db2.gz	BZLJLJCOUBCIBQ-QTXGHNMQSA-N	1	1	362.518	2.391	20	30		FEEDMO
C[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C1=CC[N@@H+](C)CC1	ZINC000329258805	553913119	/nfs/dbraw/zinc/91/31/19/553913119.db2.gz	AAGOBBMMHMNLFQ-ZDUSSCGKSA-N	1	1	363.483	2.082	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@@]3(CCCOC3)C2)C1	ZINC000329276949	553915748	/nfs/dbraw/zinc/91/57/48/553915748.db2.gz	LKSPHDPGPATBNY-APWZRJJASA-N	1	1	353.507	2.292	20	30		FEEDMO
CC(=O)Nc1ncc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)s1	ZINC000329279008	553916404	/nfs/dbraw/zinc/91/64/04/553916404.db2.gz	MHWBQEQSYBOPPP-NSHDSACASA-N	1	1	358.489	2.046	20	30		FEEDMO
C[C@H](NC(=O)N1CCN(C(=O)C2CCCCC2)CC1)C1=CC[N@@H+](C)CC1	ZINC000329281808	553917222	/nfs/dbraw/zinc/91/72/22/553917222.db2.gz	FBNNJAHPXNUISU-INIZCTEOSA-N	1	1	362.518	2.275	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)NCc3nnc(C4CC4)o3)CC2)nc(C)[nH+]1	ZINC000329299627	553920151	/nfs/dbraw/zinc/92/01/51/553920151.db2.gz	VEAIZNMBVNSLOT-UHFFFAOYSA-N	1	1	371.445	2.026	20	30		FEEDMO
O=C(NCc1cccc(CN2CCCC2=O)c1)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000329327153	553925956	/nfs/dbraw/zinc/92/59/56/553925956.db2.gz	XBDNNAOUMVKIBE-KRWDZBQOSA-N	1	1	356.470	2.049	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(F)c(C#N)c3)cc2)CC1	ZINC000506512430	561700695	/nfs/dbraw/zinc/70/06/95/561700695.db2.gz	ULKUTEUCZVWEBS-UHFFFAOYSA-N	1	1	366.440	2.375	20	30		FEEDMO
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1	ZINC000329338552	553928399	/nfs/dbraw/zinc/92/83/99/553928399.db2.gz	NDWOFMLQLPAQFG-GJZGRUSLSA-N	1	1	365.499	2.269	20	30		FEEDMO
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC[C@H]1CN(C)CCN1C	ZINC000329383606	553935563	/nfs/dbraw/zinc/93/55/63/553935563.db2.gz	RFCXQZZWBZCKMB-SFHVURJKSA-N	1	1	373.476	2.373	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)C[C@H](C)O1	ZINC000329473530	553953050	/nfs/dbraw/zinc/95/30/50/553953050.db2.gz	OPVIJFCEYIVJRL-TWMKSMIVSA-N	1	1	353.507	2.432	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)C[C@H](C)O1	ZINC000329473530	553953052	/nfs/dbraw/zinc/95/30/52/553953052.db2.gz	OPVIJFCEYIVJRL-TWMKSMIVSA-N	1	1	353.507	2.432	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000506703283	561706455	/nfs/dbraw/zinc/70/64/55/561706455.db2.gz	RXSXFXXBCXRGDS-JXFKEZNVSA-N	1	1	363.502	2.438	20	30		FEEDMO
CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1	ZINC000329479513	553954235	/nfs/dbraw/zinc/95/42/35/553954235.db2.gz	CRIZLINEWKOQBH-GOEBONIOSA-N	1	1	357.520	2.188	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000329505640	553959085	/nfs/dbraw/zinc/95/90/85/553959085.db2.gz	HJAIQYZMBQIXND-KSZLIROESA-N	1	1	359.518	2.484	20	30		FEEDMO
Cc1cnn([C@@H]2CCN(C(=O)NCC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)C2)c1	ZINC000329537869	553963933	/nfs/dbraw/zinc/96/39/33/553963933.db2.gz	BUFWFPCZGTVANI-YESZJQIVSA-N	1	1	363.506	2.240	20	30		FEEDMO
C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC[N@H+]1C	ZINC000329550309	553966337	/nfs/dbraw/zinc/96/63/37/553966337.db2.gz	FMWWPIZPESQAET-VGWMRTNUSA-N	1	1	351.470	2.019	20	30		FEEDMO
CC1=CC[N@@H+](CCNC(=O)NC2CCN(C(=O)c3ccccc3)CC2)CC1	ZINC000329611609	553976482	/nfs/dbraw/zinc/97/64/82/553976482.db2.gz	DHNHTPBNVWKLBQ-UHFFFAOYSA-N	1	1	370.497	2.447	20	30		FEEDMO
Cc1csc([C@@H](C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)n1	ZINC000329616722	553977333	/nfs/dbraw/zinc/97/73/33/553977333.db2.gz	PXHOUYIFJHODAK-NWANDNLSSA-N	1	1	352.504	2.264	20	30		FEEDMO
Cc1c(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cnn1C1CCCCC1	ZINC000329713460	553993474	/nfs/dbraw/zinc/99/34/74/553993474.db2.gz	RNHJLDCNVGCYGC-LJQANCHMSA-N	1	1	364.490	2.085	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C[C@@H]1[NH+]1CCOCC1	ZINC000329714946	553994257	/nfs/dbraw/zinc/99/42/57/553994257.db2.gz	UFYQKBZUJOMWLF-PNBKFKSVSA-N	1	1	366.506	2.087	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncnc4ccsc43)CC2)CC[N@H+]1C	ZINC000329806250	554009138	/nfs/dbraw/zinc/00/91/38/554009138.db2.gz	NSDATBOUZVRDTA-KGLIPLIRSA-N	1	1	374.514	2.210	20	30		FEEDMO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2csc(-c3ccccn3)n2)C[C@H]1C	ZINC000329814518	554011177	/nfs/dbraw/zinc/01/11/77/554011177.db2.gz	DTRHMMXSZYKDLW-OLZOCXBDSA-N	1	1	361.471	2.138	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2csc(-c3ccccn3)n2)C[C@H]1C	ZINC000329814518	554011179	/nfs/dbraw/zinc/01/11/79/554011179.db2.gz	DTRHMMXSZYKDLW-OLZOCXBDSA-N	1	1	361.471	2.138	20	30		FEEDMO
CO[C@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)N(C(C)=O)C1	ZINC000329881985	554024108	/nfs/dbraw/zinc/02/41/08/554024108.db2.gz	PGQOJSGTWMZSIA-DQEVTTJGSA-N	1	1	359.470	2.414	20	30		FEEDMO
CC[C@@H]1CN(C(=O)[C@@H](CC2CCC2)NC(C)=O)C[C@H]1[NH+]1CCOCC1	ZINC000329908809	554028816	/nfs/dbraw/zinc/02/88/16/554028816.db2.gz	UOGFDVRUWBUAPI-KZNAEPCWSA-N	1	1	351.491	2.091	20	30		FEEDMO
CC(C)c1nnc([C@H]2CN(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)CCO2)o1	ZINC000329905341	554029071	/nfs/dbraw/zinc/02/90/71/554029071.db2.gz	JNJUBPANBVGGMG-HUUCEWRRSA-N	1	1	365.478	2.212	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000507320492	561724776	/nfs/dbraw/zinc/72/47/76/561724776.db2.gz	AGFQJYXKRLWUDL-KXBFYZLASA-N	1	1	351.491	2.342	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@H]1COc2ccccc2O1	ZINC000329941688	554036253	/nfs/dbraw/zinc/03/62/53/554036253.db2.gz	VEUBPYTZNMQFID-JKSUJKDBSA-N	1	1	356.426	2.410	20	30		FEEDMO
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000329943494	554036820	/nfs/dbraw/zinc/03/68/20/554036820.db2.gz	HTAPWNITLQFGPD-CQSZACIVSA-N	1	1	356.426	2.076	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1	ZINC000329957476	554039042	/nfs/dbraw/zinc/03/90/42/554039042.db2.gz	PLZXPZURNJZMPA-HNNXBMFYSA-N	1	1	357.462	2.322	20	30		FEEDMO
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H](C)[NH+]2CCSCC2)on1	ZINC000329990661	554045214	/nfs/dbraw/zinc/04/52/14/554045214.db2.gz	WHYJKFZMLVLNHB-KKUMJFAQSA-N	1	1	370.494	2.289	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(O[C@H]2CCOC2)CC1	ZINC000330089155	554062957	/nfs/dbraw/zinc/06/29/57/554062957.db2.gz	VLWWWTUKABHVBM-RYRKJORJSA-N	1	1	353.507	2.291	20	30		FEEDMO
CNC(=O)[C@]1(C)CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	ZINC000330146272	554073591	/nfs/dbraw/zinc/07/35/91/554073591.db2.gz	HWRQEHKKLSUOPS-GOSISDBHSA-N	1	1	366.506	2.234	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCOC2(CCOCC2)C1	ZINC000330256466	554094107	/nfs/dbraw/zinc/09/41/07/554094107.db2.gz	KPXNSPNWGIQWOY-IAGOWNOFSA-N	1	1	353.507	2.483	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2ccc3nc(C)cn3c2)C[C@H]1[NH+]1CCOCC1	ZINC000330269824	554096735	/nfs/dbraw/zinc/09/67/35/554096735.db2.gz	SKWIEJZMNJVBLE-DOTOQJQBSA-N	1	1	357.458	2.231	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCOC2(CCOCC2)C1	ZINC000330272958	554096967	/nfs/dbraw/zinc/09/69/67/554096967.db2.gz	YKOMZQCWYGHBON-ZACQAIPSSA-N	1	1	351.491	2.187	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000330378702	554113431	/nfs/dbraw/zinc/11/34/31/554113431.db2.gz	ROVOLGHFOFBAGD-OWCLPIDISA-N	1	1	358.552	2.059	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC000330588412	554142272	/nfs/dbraw/zinc/14/22/72/554142272.db2.gz	YUWLLHFCSIUFLW-CXAGYDPISA-N	1	1	353.463	2.189	20	30		FEEDMO
CCCS(=O)(=O)Nc1cccc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c1	ZINC000330708580	554160848	/nfs/dbraw/zinc/16/08/48/554160848.db2.gz	NTACTEPKVWNQHI-KBPBESRZSA-N	1	1	368.503	2.408	20	30		FEEDMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2cc(Cl)c(Cl)cn2)CC1	ZINC000330992393	554198382	/nfs/dbraw/zinc/19/83/82/554198382.db2.gz	UURFCZVZZCUPQT-UHFFFAOYSA-N	1	1	374.272	2.267	20	30		FEEDMO
C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1	ZINC000508862439	561775700	/nfs/dbraw/zinc/77/57/00/561775700.db2.gz	GTXPDDZQZWLVCW-INIZCTEOSA-N	1	1	373.888	2.229	20	30		FEEDMO
C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[N@H+]2CCOC[C@@H]2C1	ZINC000508862439	561775701	/nfs/dbraw/zinc/77/57/01/561775701.db2.gz	GTXPDDZQZWLVCW-INIZCTEOSA-N	1	1	373.888	2.229	20	30		FEEDMO
C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[NH+](CCOC)CC1	ZINC000508905166	561777716	/nfs/dbraw/zinc/77/77/16/561777716.db2.gz	YTDPXPNQWZXCBH-UHFFFAOYSA-N	1	1	355.486	2.462	20	30		FEEDMO
C=CCn1c(-c2cccn2C)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000508914799	561778192	/nfs/dbraw/zinc/77/81/92/561778192.db2.gz	UTFFVQNAAOKHFD-UHFFFAOYSA-N	1	1	372.517	2.264	20	30		FEEDMO
C=CCn1c(COCc2ccccc2)nnc1N1CC[NH+](C2CC2)CC1	ZINC000508961026	561779320	/nfs/dbraw/zinc/77/93/20/561779320.db2.gz	MAWNALIQWCJGQQ-UHFFFAOYSA-N	1	1	353.470	2.465	20	30		FEEDMO
COC(=O)[C@]1(C)C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000331477176	554271826	/nfs/dbraw/zinc/27/18/26/554271826.db2.gz	PQDRVLBOYLEOGR-CFLQYTFWSA-N	1	1	355.438	2.185	20	30		FEEDMO
N#CC1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CCOCC1	ZINC000331662683	554303914	/nfs/dbraw/zinc/30/39/14/554303914.db2.gz	MVDCKRVHMFQMDH-MRXNPFEDSA-N	1	1	356.426	2.445	20	30		FEEDMO
N#CC1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CCOCC1	ZINC000331662683	554303917	/nfs/dbraw/zinc/30/39/17/554303917.db2.gz	MVDCKRVHMFQMDH-MRXNPFEDSA-N	1	1	356.426	2.445	20	30		FEEDMO
CC[N@@H+](CCC1CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC1)CC1CC1	ZINC000509202708	561789790	/nfs/dbraw/zinc/78/97/90/561789790.db2.gz	LFRJOTYYIFOZLJ-INIZCTEOSA-N	1	1	370.563	2.299	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000509439617	561799762	/nfs/dbraw/zinc/79/97/62/561799762.db2.gz	XQEHWOFYQYXJNF-LSDHHAIUSA-N	1	1	367.415	2.198	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000332626148	554486430	/nfs/dbraw/zinc/48/64/30/554486430.db2.gz	OQYROSXEBAVLTO-CVEARBPZSA-N	1	1	351.447	2.086	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)COc3ccc(O)cc3)CC2)cc1	ZINC000510344341	561831923	/nfs/dbraw/zinc/83/19/23/561831923.db2.gz	UGBHNDGYOHVPEJ-UHFFFAOYSA-N	1	1	365.433	2.377	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccc(O)cc3)CC2)cc1	ZINC000510344341	561831924	/nfs/dbraw/zinc/83/19/24/561831924.db2.gz	UGBHNDGYOHVPEJ-UHFFFAOYSA-N	1	1	365.433	2.377	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000333515842	554619981	/nfs/dbraw/zinc/61/99/81/554619981.db2.gz	YNWRLWNTHNRTSK-LFDJNIOPSA-N	1	1	365.518	2.251	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000333515842	554619983	/nfs/dbraw/zinc/61/99/83/554619983.db2.gz	YNWRLWNTHNRTSK-LFDJNIOPSA-N	1	1	365.518	2.251	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000334085565	554676259	/nfs/dbraw/zinc/67/62/59/554676259.db2.gz	LVRVYXCCMGZLTK-RZFLPCETSA-N	1	1	351.491	2.003	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000334085565	554676262	/nfs/dbraw/zinc/67/62/62/554676262.db2.gz	LVRVYXCCMGZLTK-RZFLPCETSA-N	1	1	351.491	2.003	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1	ZINC000360145820	554864493	/nfs/dbraw/zinc/86/44/93/554864493.db2.gz	AEUYPTSBYYBDQO-JKSUJKDBSA-N	1	1	351.491	2.400	20	30		FEEDMO
CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)N=c2ccn(CCC#N)[nH]2)C1	ZINC000360426921	554874695	/nfs/dbraw/zinc/87/46/95/554874695.db2.gz	TXDJBMPJEZPKGK-OAHLLOKOSA-N	1	1	355.446	2.986	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1	ZINC000361479423	554921472	/nfs/dbraw/zinc/92/14/72/554921472.db2.gz	UIAFPDPAWPWEGC-SNRMKQJTSA-N	1	1	369.465	2.133	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000361904443	554937505	/nfs/dbraw/zinc/93/75/05/554937505.db2.gz	ACDFCIWXIAMFEG-DLBZAZTESA-N	1	1	357.454	2.278	20	30		FEEDMO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2c[nH]nc21	ZINC000362407489	554970561	/nfs/dbraw/zinc/97/05/61/554970561.db2.gz	JIJDSYZUAYHMNJ-GOSISDBHSA-N	1	1	351.454	2.292	20	30		FEEDMO
CN(C(=O)c1c(F)cc(C#N)cc1F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000362834308	554991742	/nfs/dbraw/zinc/99/17/42/554991742.db2.gz	KTFASYJTFBYZCC-HNNXBMFYSA-N	1	1	362.424	2.077	20	30		FEEDMO
CN(C(=O)c1c(F)cc(C#N)cc1F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000362834308	554991743	/nfs/dbraw/zinc/99/17/43/554991743.db2.gz	KTFASYJTFBYZCC-HNNXBMFYSA-N	1	1	362.424	2.077	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1	ZINC000363045838	555017434	/nfs/dbraw/zinc/01/74/34/555017434.db2.gz	PBSIZYIELFRIOV-DLBZAZTESA-N	1	1	362.518	2.155	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@H]3C)C2)n1	ZINC000363114220	555033323	/nfs/dbraw/zinc/03/33/23/555033323.db2.gz	PFBMREZESMNUGS-AYOQOUSVSA-N	1	1	369.513	2.277	20	30		FEEDMO
CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1	ZINC000363142528	555039230	/nfs/dbraw/zinc/03/92/30/555039230.db2.gz	NJYSIBGBFOIATF-MSOLQXFVSA-N	1	1	354.454	2.362	20	30		FEEDMO
CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1	ZINC000363142528	555039232	/nfs/dbraw/zinc/03/92/32/555039232.db2.gz	NJYSIBGBFOIATF-MSOLQXFVSA-N	1	1	354.454	2.362	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@H+](CC(C)C)CC1	ZINC000363378714	555089859	/nfs/dbraw/zinc/08/98/59/555089859.db2.gz	CPYNQWKEQQDLGV-UHFFFAOYSA-N	1	1	358.486	2.399	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC=C(c2ccnc3[nH]ccc32)CC1	ZINC000363665991	555159448	/nfs/dbraw/zinc/15/94/48/555159448.db2.gz	QWNXLGOEZVVNOW-ZDUSSCGKSA-N	1	1	353.426	2.052	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccnc3[nH]ccc32)CC1	ZINC000363665991	555159451	/nfs/dbraw/zinc/15/94/51/555159451.db2.gz	QWNXLGOEZVVNOW-ZDUSSCGKSA-N	1	1	353.426	2.052	20	30		FEEDMO
C=CCN(C(=O)NCCc1cnn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363825832	555194373	/nfs/dbraw/zinc/19/43/73/555194373.db2.gz	PNVVRHXNCFMXSN-FQEVSTJZSA-N	1	1	367.497	2.435	20	30		FEEDMO
CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000364019605	555234872	/nfs/dbraw/zinc/23/48/72/555234872.db2.gz	LWMMPZHESFAIHS-MSOLQXFVSA-N	1	1	360.502	2.147	20	30		FEEDMO
C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000512199798	561895850	/nfs/dbraw/zinc/89/58/50/561895850.db2.gz	DMARUXBTEOPREK-KRWDZBQOSA-N	1	1	356.422	2.462	20	30		FEEDMO
N#Cc1cc(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)ccc1N1CCC(O)CC1	ZINC000364090484	555247723	/nfs/dbraw/zinc/24/77/23/555247723.db2.gz	NIKYQEYHOJGAOZ-SJLPKXTDSA-N	1	1	368.481	2.332	20	30		FEEDMO
N#CC1(NC(=O)CN2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CCC1	ZINC000364135079	555256627	/nfs/dbraw/zinc/25/66/27/555256627.db2.gz	ISUCAWSDJDAIPO-UHFFFAOYSA-N	1	1	360.889	2.410	20	30		FEEDMO
N#CC1(NC(=O)CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CCC1	ZINC000364135079	555256628	/nfs/dbraw/zinc/25/66/28/555256628.db2.gz	ISUCAWSDJDAIPO-UHFFFAOYSA-N	1	1	360.889	2.410	20	30		FEEDMO
CC(C)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)N1CC[NH+](C)CC1	ZINC000512298668	561899049	/nfs/dbraw/zinc/89/90/49/561899049.db2.gz	HPYSMTHSMQBWJT-IBGZPJMESA-N	1	1	372.488	2.117	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C	ZINC000364553921	555336993	/nfs/dbraw/zinc/33/69/93/555336993.db2.gz	CUVMXHFJWVZTGR-CPLUKWAASA-N	1	1	371.481	2.331	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2nnc[nH]2)c2ccccc2)CC1	ZINC000364755106	555394608	/nfs/dbraw/zinc/39/46/08/555394608.db2.gz	AMEZUHKOAMDIKZ-KRWDZBQOSA-N	1	1	354.458	2.234	20	30		FEEDMO
CCc1nccc([C@@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)n1	ZINC000364758932	555395509	/nfs/dbraw/zinc/39/55/09/555395509.db2.gz	LFJBUCIEJSQGEM-GOSISDBHSA-N	1	1	363.465	2.406	20	30		FEEDMO
CCc1nccc([C@@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)n1	ZINC000364758932	555395511	/nfs/dbraw/zinc/39/55/11/555395511.db2.gz	LFJBUCIEJSQGEM-GOSISDBHSA-N	1	1	363.465	2.406	20	30		FEEDMO
Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1ccc(C#N)o1	ZINC000513006864	561922455	/nfs/dbraw/zinc/92/24/55/561922455.db2.gz	FGVSYVADCODACP-UHFFFAOYSA-N	1	1	353.831	2.181	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1CCCN1C(C)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000365258460	555525288	/nfs/dbraw/zinc/52/52/88/555525288.db2.gz	OSSHSCVPLAQSBK-PMACEKPBSA-N	1	1	355.482	2.286	20	30		FEEDMO
CC(C)[N@H+](CC(=O)N1CCCCCC1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000513265584	561931662	/nfs/dbraw/zinc/93/16/62/561931662.db2.gz	GMFUGXLHJHUMLF-LJQANCHMSA-N	1	1	373.497	2.411	20	30		FEEDMO
CCOC(=O)CCCCC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000513659952	561946240	/nfs/dbraw/zinc/94/62/40/561946240.db2.gz	IKYYROWTLMWCIR-FOIQADDNSA-N	1	1	355.438	2.455	20	30		FEEDMO
CC[N@H+]1CCc2c(cccc2NC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000366361538	555821613	/nfs/dbraw/zinc/82/16/13/555821613.db2.gz	NQFCBTQIWOJNRJ-UHFFFAOYSA-N	1	1	362.433	2.305	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccccc3Cl)CC2)C1=O	ZINC000366849068	555950616	/nfs/dbraw/zinc/95/06/16/555950616.db2.gz	ZAFFHOJZAVWWCN-KRWDZBQOSA-N	1	1	361.873	2.275	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccccc3Cl)CC2)C1=O	ZINC000366849068	555950617	/nfs/dbraw/zinc/95/06/17/555950617.db2.gz	ZAFFHOJZAVWWCN-KRWDZBQOSA-N	1	1	361.873	2.275	20	30		FEEDMO
Cc1cc(C#N)nc(N(C)[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1	ZINC000367333455	556021011	/nfs/dbraw/zinc/02/10/11/556021011.db2.gz	RONHAHSTDXEUAR-LPHOPBHVSA-N	1	1	351.454	2.382	20	30		FEEDMO
Cc1cc(C#N)nc(N(C)[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1	ZINC000367333455	556021007	/nfs/dbraw/zinc/02/10/07/556021007.db2.gz	RONHAHSTDXEUAR-LPHOPBHVSA-N	1	1	351.454	2.382	20	30		FEEDMO
C[NH+]1CCN(C[C@@H]2CCCN(c3nc4c(cc3C#N)CCCC4)C2)CC1	ZINC000367342844	556023314	/nfs/dbraw/zinc/02/33/14/556023314.db2.gz	RLZVYXAAFBPIBJ-KRWDZBQOSA-N	1	1	353.514	2.296	20	30		FEEDMO
C[NH+]1CCN(C(=O)[C@H]2CCCN(c3ccc4cc(C#N)ccc4n3)C2)CC1	ZINC000367376398	556032251	/nfs/dbraw/zinc/03/22/51/556032251.db2.gz	DBDTUSDTHBDNFZ-SFHVURJKSA-N	1	1	363.465	2.097	20	30		FEEDMO
C[NH+]1CCC(CNC(=O)c2ccc(F)c(C#N)c2)(N2CCCCC2)CC1	ZINC000367400562	556038548	/nfs/dbraw/zinc/03/85/48/556038548.db2.gz	WEJHRGIMYQOCBE-UHFFFAOYSA-N	1	1	358.461	2.377	20	30		FEEDMO
C=CCc1cc(C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc(OC)c1O	ZINC000367468176	556058416	/nfs/dbraw/zinc/05/84/16/556058416.db2.gz	CKGBLLOIXLGQQT-CHWSQXEVSA-N	1	1	358.360	2.225	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1	ZINC000367583438	556089379	/nfs/dbraw/zinc/08/93/79/556089379.db2.gz	DEGOAZBEYPIDBL-IUODEOHRSA-N	1	1	350.381	2.227	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1	ZINC000367583438	556089381	/nfs/dbraw/zinc/08/93/81/556089381.db2.gz	DEGOAZBEYPIDBL-IUODEOHRSA-N	1	1	350.381	2.227	20	30		FEEDMO
COC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2	ZINC000367794137	556141264	/nfs/dbraw/zinc/14/12/64/556141264.db2.gz	KRUUVWCMHFDGRT-UHYGZKCKSA-N	1	1	359.426	2.370	20	30		FEEDMO
COC(=O)[C@]12CCC[C@H]1C[N@H+]([C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2	ZINC000367794137	556141267	/nfs/dbraw/zinc/14/12/67/556141267.db2.gz	KRUUVWCMHFDGRT-UHYGZKCKSA-N	1	1	359.426	2.370	20	30		FEEDMO
CC(C)[N@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000514993737	561990588	/nfs/dbraw/zinc/99/05/88/561990588.db2.gz	KBVBZDGXYZMCPQ-GOSISDBHSA-N	1	1	366.469	2.097	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1	ZINC000368086389	556214886	/nfs/dbraw/zinc/21/48/86/556214886.db2.gz	XBMCINGQQMCYQV-SJORKVTESA-N	1	1	371.462	2.294	20	30		FEEDMO
C[C@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000368732412	556400390	/nfs/dbraw/zinc/40/03/90/556400390.db2.gz	JUGWEEDRPNDPDV-OWCLPIDISA-N	1	1	355.486	2.617	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([NH+]2CCN(CCC)CC2)CC1	ZINC000369153678	556518855	/nfs/dbraw/zinc/51/88/55/556518855.db2.gz	DNOGLOCWTVFVQY-LJQANCHMSA-N	1	1	364.578	2.292	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1nnc2n1CCCCC2	ZINC000516048011	562028838	/nfs/dbraw/zinc/02/88/38/562028838.db2.gz	AQUCQAXBWBZYJH-KRWDZBQOSA-N	1	1	356.470	2.263	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2Cn2ccnn2)cc1Cl	ZINC000369381002	556585504	/nfs/dbraw/zinc/58/55/04/556585504.db2.gz	YVUSUYHELJSBFB-HNNXBMFYSA-N	1	1	358.833	2.296	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2Cn2ccnn2)cc1Cl	ZINC000369381002	556585508	/nfs/dbraw/zinc/58/55/08/556585508.db2.gz	YVUSUYHELJSBFB-HNNXBMFYSA-N	1	1	358.833	2.296	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@H]2CCCN(c3cc(C)ccc3F)C2=O)CC1	ZINC000369444639	556602239	/nfs/dbraw/zinc/60/22/39/556602239.db2.gz	DPCNVMFDBPWZSU-SFHVURJKSA-N	1	1	371.456	2.091	20	30		FEEDMO
CN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)CCN2C1=O	ZINC000369460784	556605412	/nfs/dbraw/zinc/60/54/12/556605412.db2.gz	FPONINAAHZHRAY-IBGZPJMESA-N	1	1	360.417	2.303	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000369936298	556735295	/nfs/dbraw/zinc/73/52/95/556735295.db2.gz	KTAIAEOTCHCUAF-GOSISDBHSA-N	1	1	366.469	2.190	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C1	ZINC000370215804	556813394	/nfs/dbraw/zinc/81/33/94/556813394.db2.gz	MPCZNVPLFVHXSM-QGZVFWFLSA-N	1	1	358.511	2.154	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(c2cccnn2)CC1	ZINC000370433215	556871085	/nfs/dbraw/zinc/87/10/85/556871085.db2.gz	JKKKLEDCFFTKRX-UHFFFAOYSA-N	1	1	364.453	2.278	20	30		FEEDMO
N#CCCC[N@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1	ZINC000370749683	556957185	/nfs/dbraw/zinc/95/71/85/556957185.db2.gz	NUDRREPBXATGQP-UHFFFAOYSA-N	1	1	358.467	2.235	20	30		FEEDMO
N#CCCC[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1	ZINC000370749683	556957186	/nfs/dbraw/zinc/95/71/86/556957186.db2.gz	NUDRREPBXATGQP-UHFFFAOYSA-N	1	1	358.467	2.235	20	30		FEEDMO
CN(C(=O)/C=C/c1cccc(C#N)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000370818966	556977795	/nfs/dbraw/zinc/97/77/95/556977795.db2.gz	IPVPHWYGGPDIRG-YJJPMGAVSA-N	1	1	352.482	2.198	20	30		FEEDMO
CN(C(=O)/C=C/c1cccc(C#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000370818966	556977797	/nfs/dbraw/zinc/97/77/97/556977797.db2.gz	IPVPHWYGGPDIRG-YJJPMGAVSA-N	1	1	352.482	2.198	20	30		FEEDMO
CN(C(=O)/C=C/c1cccc(C#N)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000370818965	556977901	/nfs/dbraw/zinc/97/79/01/556977901.db2.gz	IPVPHWYGGPDIRG-ROUKRRSUSA-N	1	1	352.482	2.198	20	30		FEEDMO
CN(C(=O)/C=C/c1cccc(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000370818965	556977904	/nfs/dbraw/zinc/97/79/04/556977904.db2.gz	IPVPHWYGGPDIRG-ROUKRRSUSA-N	1	1	352.482	2.198	20	30		FEEDMO
COCCC[N@H+]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000371487307	557196752	/nfs/dbraw/zinc/19/67/52/557196752.db2.gz	FIZXRIMRBRPABR-HXUWFJFHSA-N	1	1	370.497	2.098	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC2(CCC[N@@H+]2C)CC1	ZINC000371495565	557200443	/nfs/dbraw/zinc/20/04/43/557200443.db2.gz	DOKDSRVISAPTTP-UHFFFAOYSA-N	1	1	356.470	2.295	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2	ZINC000517957481	562101570	/nfs/dbraw/zinc/10/15/70/562101570.db2.gz	QQXFCJUIUYZSFP-FGTMMUONSA-N	1	1	370.497	2.499	20	30		FEEDMO
COC(=O)c1cn([C@@H]2CCC[N@@H+](CCCOc3ccc(C#N)cc3)C2)nn1	ZINC000372034416	557362555	/nfs/dbraw/zinc/36/25/55/557362555.db2.gz	WQYYYQXGDZYZSF-MRXNPFEDSA-N	1	1	369.425	2.042	20	30		FEEDMO
C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000518689015	562116434	/nfs/dbraw/zinc/11/64/34/562116434.db2.gz	GJIGYYGCZZFYNM-CFLQYTFWSA-N	1	1	354.454	2.341	20	30		FEEDMO
C[C@H](C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000372218836	557412626	/nfs/dbraw/zinc/41/26/26/557412626.db2.gz	QPVWZFXHPWMGEK-IRTFSXLWSA-N	1	1	366.465	2.120	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3CCOC(=O)[C@@H]32)sc2c1CCCC2	ZINC000372357076	557448868	/nfs/dbraw/zinc/44/88/68/557448868.db2.gz	OTTXMEURNZXDLR-YVEFUNNKSA-N	1	1	373.478	2.465	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@H]3CCOC(=O)[C@@H]32)sc2c1CCCC2	ZINC000372357076	557448870	/nfs/dbraw/zinc/44/88/70/557448870.db2.gz	OTTXMEURNZXDLR-YVEFUNNKSA-N	1	1	373.478	2.465	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(CO)(Nc3ccccc3)CC2)CCCCC1	ZINC000372580948	557511578	/nfs/dbraw/zinc/51/15/78/557511578.db2.gz	AYHSRTRMGNHTIK-UHFFFAOYSA-N	1	1	370.497	2.268	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1	ZINC000519584933	562135881	/nfs/dbraw/zinc/13/58/81/562135881.db2.gz	XGDJYWUWYBDAII-UHFFFAOYSA-N	1	1	356.470	2.384	20	30		FEEDMO
C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000519551629	562134627	/nfs/dbraw/zinc/13/46/27/562134627.db2.gz	VCNZEDZGFRWKQV-KBPBESRZSA-N	1	1	360.421	2.057	20	30		FEEDMO
N#Cc1cnn2cc(C[NH+]3CCC(NC(=O)CC4CCCC4)CC3)cnc12	ZINC000519764550	562143110	/nfs/dbraw/zinc/14/31/10/562143110.db2.gz	ATBLZAIPTUKXBS-UHFFFAOYSA-N	1	1	366.469	2.262	20	30		FEEDMO
Cc1ncccc1O[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000372831433	557571604	/nfs/dbraw/zinc/57/16/04/557571604.db2.gz	OITQYIVWKNPKIT-GOSISDBHSA-N	1	1	350.422	2.031	20	30		FEEDMO
Cc1ncccc1O[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000372831433	557571607	/nfs/dbraw/zinc/57/16/07/557571607.db2.gz	OITQYIVWKNPKIT-GOSISDBHSA-N	1	1	350.422	2.031	20	30		FEEDMO
CCN(CC(=O)NC(C)C)C(=O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C	ZINC000520172982	562149888	/nfs/dbraw/zinc/14/98/88/562149888.db2.gz	AKWNMDMKBSHCOO-UHFFFAOYSA-N	1	1	372.513	2.389	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(CCO)CC2)cc1	ZINC000520747550	562162590	/nfs/dbraw/zinc/16/25/90/562162590.db2.gz	FCDKMRHODUHOCK-UHFFFAOYSA-N	1	1	359.470	2.426	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)cc2C1=O	ZINC000520761135	562162976	/nfs/dbraw/zinc/16/29/76/562162976.db2.gz	WLEDJWRYCIXWOL-GASCZTMLSA-N	1	1	369.465	2.461	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1	ZINC000374306497	557862693	/nfs/dbraw/zinc/86/26/93/557862693.db2.gz	DWPVLIFMQUKDKD-CCKFTAQKSA-N	1	1	367.453	2.207	20	30		FEEDMO
Cc1cc(Cl)c2ncc(C#N)c(N3CCC[N@H+](CC(N)=O)CC3)c2c1	ZINC000374532311	557896051	/nfs/dbraw/zinc/89/60/51/557896051.db2.gz	VSUKNXMOCNIEIJ-UHFFFAOYSA-N	1	1	357.845	2.066	20	30		FEEDMO
Cc1cc(Cl)c2ncc(C#N)c(N3CCC[N@@H+](CC(N)=O)CC3)c2c1	ZINC000374532311	557896052	/nfs/dbraw/zinc/89/60/52/557896052.db2.gz	VSUKNXMOCNIEIJ-UHFFFAOYSA-N	1	1	357.845	2.066	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1	ZINC000374553099	557899058	/nfs/dbraw/zinc/89/90/58/557899058.db2.gz	VULMZVFPRLVEKH-SJORKVTESA-N	1	1	359.470	2.311	20	30		FEEDMO
C[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1)C1=CC[N@@H+](C)CC1	ZINC000374752074	557925505	/nfs/dbraw/zinc/92/55/05/557925505.db2.gz	QXMUQFAGBXFNRX-QFBILLFUSA-N	1	1	367.497	2.477	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1	ZINC000374755986	557926104	/nfs/dbraw/zinc/92/61/04/557926104.db2.gz	VUAWWBNSBFTDFD-BZUAXINKSA-N	1	1	358.442	2.352	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1	ZINC000374755986	557926105	/nfs/dbraw/zinc/92/61/05/557926105.db2.gz	VUAWWBNSBFTDFD-BZUAXINKSA-N	1	1	358.442	2.352	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCNC(=O)[C@@H]1CC(C)C	ZINC000521279082	562173421	/nfs/dbraw/zinc/17/34/21/562173421.db2.gz	YQXYARROKKGEGD-MOPGFXCFSA-N	1	1	360.498	2.391	20	30		FEEDMO
N#Cc1ccccc1N1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1	ZINC000375150605	557984261	/nfs/dbraw/zinc/98/42/61/557984261.db2.gz	RHVBQLNRLSAGAW-UHFFFAOYSA-N	1	1	364.453	2.123	20	30		FEEDMO
Cc1noc(C)c1CO[C@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000375170618	557986885	/nfs/dbraw/zinc/98/68/85/557986885.db2.gz	HUGROVDLDCCMGH-SFHVURJKSA-N	1	1	368.437	2.070	20	30		FEEDMO
Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000375170618	557986886	/nfs/dbraw/zinc/98/68/86/557986886.db2.gz	HUGROVDLDCCMGH-SFHVURJKSA-N	1	1	368.437	2.070	20	30		FEEDMO
N#C[C@@H]1C[N@H+](CC2CCC3(CC2)OCCO3)C[C@]12C(=O)Nc1ccccc12	ZINC000375434417	558026560	/nfs/dbraw/zinc/02/65/60/558026560.db2.gz	DQONFRDZCMVUOH-IERDGZPVSA-N	1	1	367.449	2.265	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)C1=O	ZINC000375595321	558054522	/nfs/dbraw/zinc/05/45/22/558054522.db2.gz	GYXADFOATZQXMH-UONOGXRCSA-N	1	1	355.360	2.340	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)C1=O	ZINC000375595321	558054523	/nfs/dbraw/zinc/05/45/23/558054523.db2.gz	GYXADFOATZQXMH-UONOGXRCSA-N	1	1	355.360	2.340	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000375699257	558069368	/nfs/dbraw/zinc/06/93/68/558069368.db2.gz	XHDABAAGTMOHIU-INIZCTEOSA-N	1	1	356.536	2.053	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C3CC3)nc(SC)c2C#N)C1	ZINC000521679425	562181920	/nfs/dbraw/zinc/18/19/20/562181920.db2.gz	VKRAHPOTIDPEPP-CYBMUJFWSA-N	1	1	360.483	2.003	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)c2cccc(CC#N)c2)[C@H](c2ccccc2)C1	ZINC000377430004	558339131	/nfs/dbraw/zinc/33/91/31/558339131.db2.gz	BLQUVQFIKYPNAK-NRFANRHFSA-N	1	1	362.477	2.471	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1	ZINC000377468722	558345920	/nfs/dbraw/zinc/34/59/20/558345920.db2.gz	OVQMWQCCMBEPDN-OAHLLOKOSA-N	1	1	360.483	2.425	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000377470046	558346256	/nfs/dbraw/zinc/34/62/56/558346256.db2.gz	HEVLEGGMJBDTBQ-VXNCWWDNSA-N	1	1	371.481	2.426	20	30		FEEDMO
N#Cc1ccccc1N1CCC(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1	ZINC000377895394	558443385	/nfs/dbraw/zinc/44/33/85/558443385.db2.gz	IXRBDZLTFSTPCQ-LJQANCHMSA-N	1	1	367.497	2.264	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000522890146	562205616	/nfs/dbraw/zinc/20/56/16/562205616.db2.gz	OKECFUJCTIVSFT-DOTOQJQBSA-N	1	1	359.470	2.304	20	30		FEEDMO
CC1(CN2CCOCC2)CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000378272094	558516797	/nfs/dbraw/zinc/51/67/97/558516797.db2.gz	LZUFLBOHXATLPA-UHFFFAOYSA-N	1	1	370.497	2.321	20	30		FEEDMO
C#CC[C@H](NC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO)c1ccccc1	ZINC000378277439	558517666	/nfs/dbraw/zinc/51/76/66/558517666.db2.gz	MMEVLYMBGORCDK-UFYCRDLUSA-N	1	1	355.482	2.382	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000398059186	558626020	/nfs/dbraw/zinc/62/60/20/558626020.db2.gz	BGKJNXOGDPGINS-KSSFIOAISA-N	1	1	370.478	2.203	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1C#N	ZINC000398059186	558626021	/nfs/dbraw/zinc/62/60/21/558626021.db2.gz	BGKJNXOGDPGINS-KSSFIOAISA-N	1	1	370.478	2.203	20	30		FEEDMO
N#Cc1ccc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)nc1	ZINC000404208938	558631075	/nfs/dbraw/zinc/63/10/75/558631075.db2.gz	VPDLAJRAQJWTBN-VQTJNVASSA-N	1	1	362.433	2.069	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)ccc1C(F)(F)F	ZINC000409578612	558704613	/nfs/dbraw/zinc/70/46/13/558704613.db2.gz	YCHVIXBIIKSQSE-NSHDSACASA-N	1	1	373.400	2.340	20	30		FEEDMO
C=CC[N@H+](CC1CCCCC1)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000411263945	558863341	/nfs/dbraw/zinc/86/33/41/558863341.db2.gz	UILBDWKNXPZGBV-NVXWUHKLSA-N	1	1	356.532	2.089	20	30		FEEDMO
C=CC[N@@H+](CC1CCCCC1)[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000411263945	558863343	/nfs/dbraw/zinc/86/33/43/558863343.db2.gz	UILBDWKNXPZGBV-NVXWUHKLSA-N	1	1	356.532	2.089	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@@H]1C	ZINC000525395891	562247373	/nfs/dbraw/zinc/24/73/73/562247373.db2.gz	IKZUKKDIYKAWBV-KBXCAEBGSA-N	1	1	366.469	2.271	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1	ZINC000525603952	562250682	/nfs/dbraw/zinc/25/06/82/562250682.db2.gz	OPTAKUPSMKQDMD-UHFFFAOYSA-N	1	1	368.437	2.444	20	30		FEEDMO
C[N@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000411670871	558940275	/nfs/dbraw/zinc/94/02/75/558940275.db2.gz	KZANXCLMZHCFIX-MRXNPFEDSA-N	1	1	372.469	2.156	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)CCC1	ZINC000525893817	562258888	/nfs/dbraw/zinc/25/88/88/562258888.db2.gz	BXDCXFYDOUAHLD-LBPRGKRZSA-N	1	1	355.364	2.101	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)CCC1	ZINC000525893817	562258889	/nfs/dbraw/zinc/25/88/89/562258889.db2.gz	BXDCXFYDOUAHLD-LBPRGKRZSA-N	1	1	355.364	2.101	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c(OC)c1	ZINC000412028059	559003888	/nfs/dbraw/zinc/00/38/88/559003888.db2.gz	MPGOSUWKLRUISX-DLBZAZTESA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3nc(C)n[nH]3)C2)c(OC)c1	ZINC000412028059	559003889	/nfs/dbraw/zinc/00/38/89/559003889.db2.gz	MPGOSUWKLRUISX-DLBZAZTESA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3nc(C)n[nH]3)C2)c(OC)c1	ZINC000412028059	559003890	/nfs/dbraw/zinc/00/38/90/559003890.db2.gz	MPGOSUWKLRUISX-DLBZAZTESA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c(OC)c1	ZINC000412028059	559003891	/nfs/dbraw/zinc/00/38/91/559003891.db2.gz	MPGOSUWKLRUISX-DLBZAZTESA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c(OC)c1	ZINC000412028059	559003892	/nfs/dbraw/zinc/00/38/92/559003892.db2.gz	MPGOSUWKLRUISX-DLBZAZTESA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)NC)CC1	ZINC000412052654	559007004	/nfs/dbraw/zinc/00/70/04/559007004.db2.gz	GIBDALBISRHGSE-CQSZACIVSA-N	1	1	364.515	2.045	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1	ZINC000526057681	562265419	/nfs/dbraw/zinc/26/54/19/562265419.db2.gz	ALNXXNOKCKAKLN-OAHLLOKOSA-N	1	1	367.449	2.498	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1	ZINC000526057681	562265420	/nfs/dbraw/zinc/26/54/20/562265420.db2.gz	ALNXXNOKCKAKLN-OAHLLOKOSA-N	1	1	367.449	2.498	20	30		FEEDMO
COCC(COC)[NH+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1	ZINC000413404238	559105510	/nfs/dbraw/zinc/10/55/10/559105510.db2.gz	OTAFXMNHAMOPSE-LJQANCHMSA-N	1	1	374.485	2.020	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000413836896	559133939	/nfs/dbraw/zinc/13/39/39/559133939.db2.gz	PYPRYAGMRMZXSS-QUCCMNQESA-N	1	1	358.530	2.499	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1	ZINC000527224837	562281081	/nfs/dbraw/zinc/28/10/81/562281081.db2.gz	JCWRWDURJOYYMU-QGZVFWFLSA-N	1	1	356.470	2.453	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCCCOc1cccc(C#N)c1	ZINC000416287862	559302392	/nfs/dbraw/zinc/30/23/92/559302392.db2.gz	CJKJGUORVAZELG-IRXDYDNUSA-N	1	1	359.470	2.021	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000419622007	559450370	/nfs/dbraw/zinc/45/03/70/559450370.db2.gz	SHLQKVKJMMVUMN-SPYBWZPUSA-N	1	1	356.470	2.032	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000420771125	559503461	/nfs/dbraw/zinc/50/34/61/559503461.db2.gz	RGFIQYDIEGJTEI-GFCCVEGCSA-N	1	1	361.389	2.292	20	30		FEEDMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccc(C#N)s2)C[C@H](C)O1	ZINC000420880687	559509170	/nfs/dbraw/zinc/50/91/70/559509170.db2.gz	DIDQVDPZILIUAN-STQMWFEESA-N	1	1	350.488	2.307	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)NC[C@@H]2CC[N@@H+](CC)C2)c(C#N)cn1CC	ZINC000421162926	559528002	/nfs/dbraw/zinc/52/80/02/559528002.db2.gz	GZYDGFPYNKBWAU-ZDUSSCGKSA-N	1	1	361.446	2.020	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000421308758	559538190	/nfs/dbraw/zinc/53/81/90/559538190.db2.gz	YTDKSUMMJXIPLE-ZDUSSCGKSA-N	1	1	362.499	2.408	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1	ZINC000421508534	559543965	/nfs/dbraw/zinc/54/39/65/559543965.db2.gz	FIOCWNZBMZSYDQ-PKOBYXMFSA-N	1	1	357.498	2.138	20	30		FEEDMO
C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccnn1C	ZINC000421740879	559551430	/nfs/dbraw/zinc/55/14/30/559551430.db2.gz	MMJRBUWEFJVHMU-MRXNPFEDSA-N	1	1	351.454	2.130	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@H+](C)C1CCCC1	ZINC000422292058	559576158	/nfs/dbraw/zinc/57/61/58/559576158.db2.gz	FZYRSTKOCDHQOI-GOSISDBHSA-N	1	1	357.498	2.281	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C	ZINC000422547665	559594455	/nfs/dbraw/zinc/59/44/55/559594455.db2.gz	XFYJPTMHYIIFHJ-OALUTQOASA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C	ZINC000422547665	559594456	/nfs/dbraw/zinc/59/44/56/559594456.db2.gz	XFYJPTMHYIIFHJ-OALUTQOASA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CCC1(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1	ZINC000424697105	559673864	/nfs/dbraw/zinc/67/38/64/559673864.db2.gz	NZAZUAOUEQFDBE-NRFANRHFSA-N	1	1	358.482	2.113	20	30		FEEDMO
CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1	ZINC000527327496	562285548	/nfs/dbraw/zinc/28/55/48/562285548.db2.gz	AJEDTFCAKZRMKR-UHFFFAOYSA-N	1	1	360.433	2.215	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000425908510	559724924	/nfs/dbraw/zinc/72/49/24/559724924.db2.gz	IFZLTQPFHYAGNY-DNVCBOLYSA-N	1	1	368.481	2.211	20	30		FEEDMO
CC[NH+](CC)[C@H](CNS(=O)(=O)c1cccnc1C#N)c1ccsc1	ZINC000428238520	559772123	/nfs/dbraw/zinc/77/21/23/559772123.db2.gz	NOPWXTCXJOEZOZ-OAHLLOKOSA-N	1	1	364.496	2.376	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000428771193	559782882	/nfs/dbraw/zinc/78/28/82/559782882.db2.gz	HMESZXYBEGVBMY-DYESRHJHSA-N	1	1	356.466	2.392	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000527352272	562286319	/nfs/dbraw/zinc/28/63/19/562286319.db2.gz	FNJFGEZNURWKHG-ZLPCBKJTSA-N	1	1	371.485	2.379	20	30		FEEDMO
N#Cc1cscc1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000432404904	559858004	/nfs/dbraw/zinc/85/80/04/559858004.db2.gz	VORKLUYZXFRISD-INIZCTEOSA-N	1	1	354.435	2.322	20	30		FEEDMO
N#Cc1cscc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000432404904	559858005	/nfs/dbraw/zinc/85/80/05/559858005.db2.gz	VORKLUYZXFRISD-INIZCTEOSA-N	1	1	354.435	2.322	20	30		FEEDMO
C[C@H](C[NH+]1CCOCC1)N(C)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000432943367	559868384	/nfs/dbraw/zinc/86/83/84/559868384.db2.gz	HBMUHHMKZKWLPD-CYBMUJFWSA-N	1	1	355.398	2.172	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[NH+]2CCC(CO)(c3ccccc3)CC2)c1	ZINC000433053041	559870564	/nfs/dbraw/zinc/87/05/64/559870564.db2.gz	ORKGIPYTSBIGSY-UHFFFAOYSA-N	1	1	363.461	2.201	20	30		FEEDMO
C[N@@H+](CC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCSC1	ZINC000527364142	562286552	/nfs/dbraw/zinc/28/65/52/562286552.db2.gz	YDNMGJGHWFZGQR-CGZBRXJRSA-N	1	1	374.510	2.197	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1	ZINC000435018275	559914440	/nfs/dbraw/zinc/91/44/40/559914440.db2.gz	BXNSTWYYIOJWOT-FQEVSTJZSA-N	1	1	366.509	2.218	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCNC(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000436507939	559943765	/nfs/dbraw/zinc/94/37/65/559943765.db2.gz	XXVKSNHDQQINCV-UHFFFAOYSA-N	1	1	369.416	2.165	20	30		FEEDMO
CN(CCCNC(=O)Nc1cc(C#N)ccc1OC(F)F)CC[NH+](C)C	ZINC000436507939	559943766	/nfs/dbraw/zinc/94/37/66/559943766.db2.gz	XXVKSNHDQQINCV-UHFFFAOYSA-N	1	1	369.416	2.165	20	30		FEEDMO
CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000439474652	559994947	/nfs/dbraw/zinc/99/49/47/559994947.db2.gz	XWDSGBCOTZFMFK-FOIQADDNSA-N	1	1	373.453	2.177	20	30		FEEDMO
CCOC(=O)[C@]1(COC)CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000439474652	559994948	/nfs/dbraw/zinc/99/49/48/559994948.db2.gz	XWDSGBCOTZFMFK-FOIQADDNSA-N	1	1	373.453	2.177	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1	ZINC000439476403	559995077	/nfs/dbraw/zinc/99/50/77/559995077.db2.gz	FWZGQFASIJFERB-RYGJVYDSSA-N	1	1	363.502	2.485	20	30		FEEDMO
CC[C@@H](O)C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1	ZINC000441068798	560022739	/nfs/dbraw/zinc/02/27/39/560022739.db2.gz	VRKIJIQWBNWWSZ-HXUWFJFHSA-N	1	1	351.450	2.448	20	30		FEEDMO
CC[C@@H](O)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1	ZINC000441068798	560022740	/nfs/dbraw/zinc/02/27/40/560022740.db2.gz	VRKIJIQWBNWWSZ-HXUWFJFHSA-N	1	1	351.450	2.448	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000442107045	560044099	/nfs/dbraw/zinc/04/40/99/560044099.db2.gz	DEUMHPLINFQBRF-HZSPNIEDSA-N	1	1	353.463	2.342	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C	ZINC000443239200	560075920	/nfs/dbraw/zinc/07/59/20/560075920.db2.gz	HKLYADHHOZZTHT-ZWNOBZJWSA-N	1	1	361.389	2.338	20	30		FEEDMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3cccc(C#N)c3)n2)c1C	ZINC000447708042	560167754	/nfs/dbraw/zinc/16/77/54/560167754.db2.gz	QSLDOYPYIRJQIM-UHFFFAOYSA-N	1	1	362.393	2.471	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000448326020	560184821	/nfs/dbraw/zinc/18/48/21/560184821.db2.gz	VRFQKXXPIDFWDJ-OAHLLOKOSA-N	1	1	362.861	2.387	20	30		FEEDMO
COC[C@@]1(CO)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000449704569	560237538	/nfs/dbraw/zinc/23/75/38/560237538.db2.gz	VZNASLGKBJMTSG-FQEVSTJZSA-N	1	1	354.454	2.295	20	30		FEEDMO
CC(C)[C@H](CNc1ncc(Br)cc1C#N)[NH+]1CCOCC1	ZINC000450246357	560255627	/nfs/dbraw/zinc/25/56/27/560255627.db2.gz	USQPFYRBUYYWDZ-AWEZNQCLSA-N	1	1	353.264	2.484	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1)C1(C#N)CCCCC1	ZINC000451214247	560293377	/nfs/dbraw/zinc/29/33/77/560293377.db2.gz	VSYKRQYYOWUZQU-INIZCTEOSA-N	1	1	362.518	2.285	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451322422	560300154	/nfs/dbraw/zinc/30/01/54/560300154.db2.gz	UDKKYNCMQRNGNM-NHYWBVRUSA-N	1	1	353.875	2.167	20	30		FEEDMO
N#C[C@@H]1N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[C@]12CCCCO2	ZINC000451524823	560312171	/nfs/dbraw/zinc/31/21/71/560312171.db2.gz	LTKQSTHBQDQWJP-PKOBYXMFSA-N	1	1	351.410	2.335	20	30		FEEDMO
COc1ccc2c(c1)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)CCO2	ZINC000451643016	560318856	/nfs/dbraw/zinc/31/88/56/560318856.db2.gz	RRMKVCMIOFZKCJ-KRWDZBQOSA-N	1	1	354.406	2.201	20	30		FEEDMO
COc1ccc2c(c1)C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)CCO2	ZINC000451643016	560318857	/nfs/dbraw/zinc/31/88/57/560318857.db2.gz	RRMKVCMIOFZKCJ-KRWDZBQOSA-N	1	1	354.406	2.201	20	30		FEEDMO
C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)C[C@H](C)[N@@H+]1CCO	ZINC000451657036	560320064	/nfs/dbraw/zinc/32/00/64/560320064.db2.gz	XFASNBAGUOJTRI-GASCZTMLSA-N	1	1	356.388	2.324	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H]1CS(C)(=O)=O	ZINC000451662634	560320525	/nfs/dbraw/zinc/32/05/25/560320525.db2.gz	VYFAEIZRZSAVTG-ROUUACIJSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1CS(C)(=O)=O	ZINC000451662634	560320526	/nfs/dbraw/zinc/32/05/26/560320526.db2.gz	VYFAEIZRZSAVTG-ROUUACIJSA-N	1	1	367.511	2.054	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[N@H+]1C1CC1	ZINC000453681425	560396271	/nfs/dbraw/zinc/39/62/71/560396271.db2.gz	UYCIBLPBBKJVJV-DGCLKSJQSA-N	1	1	360.845	2.086	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2	ZINC000453930448	560414206	/nfs/dbraw/zinc/41/42/06/560414206.db2.gz	JSYMBJDYQHFJJP-ZMYBRWDISA-N	1	1	371.481	2.445	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1C#N	ZINC000455005078	560467057	/nfs/dbraw/zinc/46/70/57/560467057.db2.gz	VULYPCBWQNPJQH-KRWDZBQOSA-N	1	1	360.458	2.314	20	30		FEEDMO
C[C@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)CN1CC[NH+](C)CC1	ZINC000455656892	560490782	/nfs/dbraw/zinc/49/07/82/560490782.db2.gz	CDQHFJXSAZXQHD-QGZVFWFLSA-N	1	1	356.514	2.127	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H](C)[N@H+]1CCO	ZINC000455735376	560493340	/nfs/dbraw/zinc/49/33/40/560493340.db2.gz	QTTBYRRTLQHLFX-BETUJISGSA-N	1	1	350.850	2.325	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H](C)[N@@H+]1CCO	ZINC000455735376	560493341	/nfs/dbraw/zinc/49/33/41/560493341.db2.gz	QTTBYRRTLQHLFX-BETUJISGSA-N	1	1	350.850	2.325	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](C)C1	ZINC000455740801	560493495	/nfs/dbraw/zinc/49/34/95/560493495.db2.gz	YQPNTUWSLBZNRU-QWHCGFSZSA-N	1	1	350.850	2.325	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1	ZINC000456004398	560504157	/nfs/dbraw/zinc/50/41/57/560504157.db2.gz	ORNUUWQBWYUCGK-UHFFFAOYSA-N	1	1	352.442	2.340	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1	ZINC000456004398	560504158	/nfs/dbraw/zinc/50/41/58/560504158.db2.gz	ORNUUWQBWYUCGK-UHFFFAOYSA-N	1	1	352.442	2.340	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1	ZINC000457970338	560597126	/nfs/dbraw/zinc/59/71/26/560597126.db2.gz	ADHWJQUVMRRVPT-QFBILLFUSA-N	1	1	361.486	2.034	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1	ZINC000457970338	560597127	/nfs/dbraw/zinc/59/71/27/560597127.db2.gz	ADHWJQUVMRRVPT-QFBILLFUSA-N	1	1	361.486	2.034	20	30		FEEDMO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1	ZINC000459251821	560676153	/nfs/dbraw/zinc/67/61/53/560676153.db2.gz	GMSJHCZPFCDWCS-LJQANCHMSA-N	1	1	371.529	2.363	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1	ZINC000459818677	560710628	/nfs/dbraw/zinc/71/06/28/560710628.db2.gz	RBMTVKREQAICFM-PMACEKPBSA-N	1	1	367.493	2.168	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000464493944	560843516	/nfs/dbraw/zinc/84/35/16/560843516.db2.gz	HTNNRQPLPQUYTB-BXWFABGCSA-N	1	1	351.491	2.483	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000464493944	560843518	/nfs/dbraw/zinc/84/35/18/560843518.db2.gz	HTNNRQPLPQUYTB-BXWFABGCSA-N	1	1	351.491	2.483	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000464501567	560843655	/nfs/dbraw/zinc/84/36/55/560843655.db2.gz	ZVEIWEIJCXRLCE-SFHVURJKSA-N	1	1	357.454	2.228	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000464501567	560843656	/nfs/dbraw/zinc/84/36/56/560843656.db2.gz	ZVEIWEIJCXRLCE-SFHVURJKSA-N	1	1	357.454	2.228	20	30		FEEDMO
COc1cc(OC)cc(C(=O)N2CC[NH+](CCCSCC#N)CC2)c1	ZINC000466701963	560893302	/nfs/dbraw/zinc/89/33/02/560893302.db2.gz	AGXCSXXACMZRNA-UHFFFAOYSA-N	1	1	363.483	2.108	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000468472061	560930750	/nfs/dbraw/zinc/93/07/50/560930750.db2.gz	ZQAABUUNAGMECK-KUHUBIRLSA-N	1	1	351.491	2.485	20	30		FEEDMO
CCN1CC[NH+](CCC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)CC1	ZINC000468765971	560938097	/nfs/dbraw/zinc/93/80/97/560938097.db2.gz	AYNLDFGJURUWCS-MRXNPFEDSA-N	1	1	368.403	2.414	20	30		FEEDMO
COc1cccc([C@H](C)[NH+]2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c1	ZINC000469586582	560959057	/nfs/dbraw/zinc/95/90/57/560959057.db2.gz	HNQSQVMMYORQGS-IRXDYDNUSA-N	1	1	370.497	2.325	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)[C@@H]1C	ZINC000469999837	560971483	/nfs/dbraw/zinc/97/14/83/560971483.db2.gz	ODWWZLGPGDMKDB-BZUAXINKSA-N	1	1	373.453	2.214	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)[C@@H]1C	ZINC000469999837	560971484	/nfs/dbraw/zinc/97/14/84/560971484.db2.gz	ODWWZLGPGDMKDB-BZUAXINKSA-N	1	1	373.453	2.214	20	30		FEEDMO
CCN(C[C@@H]1CC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C1)CC(F)(F)F	ZINC000470367728	560979744	/nfs/dbraw/zinc/97/97/44/560979744.db2.gz	SGQSDCYZBVCPDX-CABCVRRESA-N	1	1	362.440	2.201	20	30		FEEDMO
C=C(C)C[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)Cc1ccccc1	ZINC000470907904	560993584	/nfs/dbraw/zinc/99/35/84/560993584.db2.gz	FUERPOUXLVUOJO-UHFFFAOYSA-N	1	1	359.514	2.292	20	30		FEEDMO
C=C(C)C[N@@H+](CC(=O)NCC(C)(C)N1CCOCC1)Cc1ccccc1	ZINC000470907904	560993585	/nfs/dbraw/zinc/99/35/85/560993585.db2.gz	FUERPOUXLVUOJO-UHFFFAOYSA-N	1	1	359.514	2.292	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)n1	ZINC000471814751	561012346	/nfs/dbraw/zinc/01/23/46/561012346.db2.gz	FIXRBWRCYGABCB-FHWLQOOXSA-N	1	1	367.497	2.221	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](CCCOc3ccccc3C)CC2)c1C#N	ZINC000472156624	561019754	/nfs/dbraw/zinc/01/97/54/561019754.db2.gz	GCLYBIUMNBKHNJ-UHFFFAOYSA-N	1	1	353.470	2.500	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1	ZINC000477006205	561134146	/nfs/dbraw/zinc/13/41/46/561134146.db2.gz	LISMZZFPPSEFHZ-UHFFFAOYSA-N	1	1	361.389	2.340	20	30		FEEDMO
C[C@H](c1cccnc1)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528385578	562326242	/nfs/dbraw/zinc/32/62/42/562326242.db2.gz	CQKMGYWSMASMQF-XLIONFOSSA-N	1	1	366.465	2.072	20	30		FEEDMO
COc1ccc2c(c1)CC[N@H+](C[C@@H](O)COc1ccccc1C#N)CC2	ZINC000528422167	562328576	/nfs/dbraw/zinc/32/85/76/562328576.db2.gz	IRZOMCHWTCXACJ-LJQANCHMSA-N	1	1	352.434	2.407	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1	ZINC000528488495	562332063	/nfs/dbraw/zinc/33/20/63/562332063.db2.gz	CHUGQFPKICGZJT-SFHVURJKSA-N	1	1	362.433	2.250	20	30		FEEDMO
CCOC1CC2(C1)CC[N@@H+](CC#CCN1C(=O)c3ccccc3C1=O)C2	ZINC000528501900	562332671	/nfs/dbraw/zinc/33/26/71/562332671.db2.gz	FQXWGHCSGLEXBH-UHFFFAOYSA-N	1	1	352.434	2.177	20	30		FEEDMO
CO[C@@H]1C[C@@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2	ZINC000528515463	562333371	/nfs/dbraw/zinc/33/33/71/562333371.db2.gz	AAUDULZDNMXRNK-QZTJIDSGSA-N	1	1	352.434	2.175	20	30		FEEDMO
C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)o1	ZINC000528530810	562334494	/nfs/dbraw/zinc/33/44/94/562334494.db2.gz	VFTPXUPXRDVLQC-YOEHRIQHSA-N	1	1	359.451	2.340	20	30		FEEDMO
C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)o1	ZINC000528530810	562334495	/nfs/dbraw/zinc/33/44/95/562334495.db2.gz	VFTPXUPXRDVLQC-YOEHRIQHSA-N	1	1	359.451	2.340	20	30		FEEDMO
CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(CC#N)CC1	ZINC000528617707	562338556	/nfs/dbraw/zinc/33/85/56/562338556.db2.gz	HTEUDICQZARXJQ-NHCUHLMSSA-N	1	1	368.525	2.448	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H]3c3ccc(=O)[nH]n3)C2=O)cc1	ZINC000528785170	562347634	/nfs/dbraw/zinc/34/76/34/562347634.db2.gz	AQEKTOKCAKDZNX-ROUUACIJSA-N	1	1	363.421	2.386	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H]3c3ccc(=O)[nH]n3)C2=O)cc1	ZINC000528785170	562347635	/nfs/dbraw/zinc/34/76/35/562347635.db2.gz	AQEKTOKCAKDZNX-ROUUACIJSA-N	1	1	363.421	2.386	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)C2=O)cc1	ZINC000528785659	562347754	/nfs/dbraw/zinc/34/77/54/562347754.db2.gz	SZQDDFRFEKWSQP-ASWYFOPWSA-N	1	1	357.479	2.039	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)C2=O)cc1	ZINC000528785659	562347755	/nfs/dbraw/zinc/34/77/55/562347755.db2.gz	SZQDDFRFEKWSQP-ASWYFOPWSA-N	1	1	357.479	2.039	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H]3c3ccc(=O)[nH]n3)C2=O)cc1	ZINC000528785172	562347760	/nfs/dbraw/zinc/34/77/60/562347760.db2.gz	AQEKTOKCAKDZNX-ZWKOTPCHSA-N	1	1	363.421	2.386	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H]3c3ccc(=O)[nH]n3)C2=O)cc1	ZINC000528785172	562347761	/nfs/dbraw/zinc/34/77/61/562347761.db2.gz	AQEKTOKCAKDZNX-ZWKOTPCHSA-N	1	1	363.421	2.386	20	30		FEEDMO
COCc1ccc(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000529816830	562386567	/nfs/dbraw/zinc/38/65/67/562386567.db2.gz	QECZCKKLHPUPCX-NRFANRHFSA-N	1	1	365.433	2.280	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1	ZINC000531614815	562451695	/nfs/dbraw/zinc/45/16/95/562451695.db2.gz	ITPKCMVRODKUSU-JKSUJKDBSA-N	1	1	351.491	2.438	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1	ZINC000531614815	562451696	/nfs/dbraw/zinc/45/16/96/562451696.db2.gz	ITPKCMVRODKUSU-JKSUJKDBSA-N	1	1	351.491	2.438	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1	ZINC000531786331	562456653	/nfs/dbraw/zinc/45/66/53/562456653.db2.gz	OKZUQYIAGDIJRG-OAHLLOKOSA-N	1	1	374.872	2.340	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc2C1=O	ZINC000531982496	562463137	/nfs/dbraw/zinc/46/31/37/562463137.db2.gz	VCFAUBLLUKYJFZ-CRAIPNDOSA-N	1	1	367.449	2.025	20	30		FEEDMO
N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1	ZINC000532769070	562488007	/nfs/dbraw/zinc/48/80/07/562488007.db2.gz	QPIDNQMCZXNWIO-PKOBYXMFSA-N	1	1	362.433	2.435	20	30		FEEDMO
N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1	ZINC000532769070	562488008	/nfs/dbraw/zinc/48/80/08/562488008.db2.gz	QPIDNQMCZXNWIO-PKOBYXMFSA-N	1	1	362.433	2.435	20	30		FEEDMO
Cc1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)nn1-c1ccc(F)cc1F	ZINC000532776566	562488454	/nfs/dbraw/zinc/48/84/54/562488454.db2.gz	UIOSBANJDHQGLC-UHFFFAOYSA-N	1	1	359.380	2.177	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1C#N	ZINC000532938207	562493112	/nfs/dbraw/zinc/49/31/12/562493112.db2.gz	PWHFXSWKVVIMKJ-HNNXBMFYSA-N	1	1	372.469	2.130	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1	ZINC000534355235	562532480	/nfs/dbraw/zinc/53/24/80/562532480.db2.gz	PLIBQRMBMFNYRQ-NRFANRHFSA-N	1	1	363.461	2.448	20	30		FEEDMO
CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(C(=O)OC)c1C#N)CC2	ZINC000535205278	562553119	/nfs/dbraw/zinc/55/31/19/562553119.db2.gz	GZHLOJZQTSNYGS-QZTJIDSGSA-N	1	1	358.438	2.097	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)OCC	ZINC000536433013	562575425	/nfs/dbraw/zinc/57/54/25/562575425.db2.gz	INKUTMFCYZGLBU-ZCNNSNEGSA-N	1	1	360.498	2.357	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)OCC	ZINC000536433008	562575501	/nfs/dbraw/zinc/57/55/01/562575501.db2.gz	INKUTMFCYZGLBU-AQNXPRMDSA-N	1	1	360.498	2.357	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3CCC4(CCC[N@@H+]4C)CC3)cc2C1=O	ZINC000545560157	562629059	/nfs/dbraw/zinc/62/90/59/562629059.db2.gz	AWKGDTJKXVPDSW-UHFFFAOYSA-N	1	1	367.449	2.169	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1	ZINC000602885234	568005621	/nfs/dbraw/zinc/00/56/21/568005621.db2.gz	DAJDDVVFSVXKMJ-UZLBHIALSA-N	1	1	351.454	2.474	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1	ZINC000602885234	568005622	/nfs/dbraw/zinc/00/56/22/568005622.db2.gz	DAJDDVVFSVXKMJ-UZLBHIALSA-N	1	1	351.454	2.474	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1)C1CC1	ZINC000602898248	568014607	/nfs/dbraw/zinc/01/46/07/568014607.db2.gz	PYXPYASPEUHPEP-FQEVSTJZSA-N	1	1	351.454	2.243	20	30		FEEDMO
Cn1cc(C[NH+]2CCN(CCC#N)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000602747602	568022405	/nfs/dbraw/zinc/02/24/05/568022405.db2.gz	DAWJTHCXAOWXJD-UHFFFAOYSA-N	1	1	354.414	2.027	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[C@@H](C)N1CC#N	ZINC000603099573	568060386	/nfs/dbraw/zinc/06/03/86/568060386.db2.gz	RZQBLXJTRBXMCD-CHWSQXEVSA-N	1	1	374.395	2.263	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000568951291	568255032	/nfs/dbraw/zinc/25/50/32/568255032.db2.gz	UUFIZMKQHHQBHB-OAHLLOKOSA-N	1	1	365.474	2.191	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000637185025	568534128	/nfs/dbraw/zinc/53/41/28/568534128.db2.gz	DUQZFCZOOSPAJN-MJGOQNOKSA-N	1	1	355.482	2.071	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000561504134	674672925	/nfs/dbraw/zinc/67/29/25/674672925.db2.gz	ALKJKZMUBRAIHP-NSHDSACASA-N	1	1	374.304	2.329	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2Cc2ccccc2)nc1	ZINC000561786549	674699558	/nfs/dbraw/zinc/69/95/58/674699558.db2.gz	UQHGEXNADALPES-SFHVURJKSA-N	1	1	355.463	2.434	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2Cc2ccccc2)nc1	ZINC000561786549	674699561	/nfs/dbraw/zinc/69/95/61/674699561.db2.gz	UQHGEXNADALPES-SFHVURJKSA-N	1	1	355.463	2.434	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1O	ZINC001047561477	674960788	/nfs/dbraw/zinc/96/07/88/674960788.db2.gz	MJTAPGRVTTVAGO-VJANTYMQSA-N	1	1	350.503	2.051	20	30		FEEDMO
C#CC[N@@H+](C)CCCN[C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1	ZINC000815652400	674963837	/nfs/dbraw/zinc/96/38/37/674963837.db2.gz	ATHAXBWDGCSCGK-INIZCTEOSA-N	1	1	371.934	2.244	20	30		FEEDMO
C#CC[N@H+](C)CCCN[C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1	ZINC000815652400	674963843	/nfs/dbraw/zinc/96/38/43/674963843.db2.gz	ATHAXBWDGCSCGK-INIZCTEOSA-N	1	1	371.934	2.244	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)OC	ZINC001048526328	675008911	/nfs/dbraw/zinc/00/89/11/675008911.db2.gz	RVYFUYDENKVONA-RRQVMCLOSA-N	1	1	350.503	2.362	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CCN1c1snc(C)c1C#N	ZINC001049005322	675020846	/nfs/dbraw/zinc/02/08/46/675020846.db2.gz	OZEVBHKYBRZHGC-VBNZEHGJSA-N	1	1	361.515	2.281	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H]2C[N@@H+](C)C[C@H]21	ZINC000564879857	675071533	/nfs/dbraw/zinc/07/15/33/675071533.db2.gz	CNOOYSBKWQGHFB-HEHGZKQESA-N	1	1	358.511	2.461	20	30		FEEDMO
CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CCCOc1ccc(C#N)cc1	ZINC000052134629	670309095	/nfs/dbraw/zinc/30/90/95/670309095.db2.gz	HFEXPMVHJYYYPM-KRWDZBQOSA-N	1	1	365.499	2.121	20	30		FEEDMO
CN(C)S(=O)(=O)c1ccc(CO[NH+]=C(N)CCCc2ccccc2)o1	ZINC000060875321	670390548	/nfs/dbraw/zinc/39/05/48/670390548.db2.gz	QNNRXJLOENCEMW-UHFFFAOYSA-N	1	1	365.455	2.342	20	30		FEEDMO
CC1=C[C@H](C)C[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000569181734	670520650	/nfs/dbraw/zinc/52/06/50/670520650.db2.gz	WOTZSAQJKMCJFI-DOTOQJQBSA-N	1	1	358.511	2.355	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1	ZINC000817716603	675164529	/nfs/dbraw/zinc/16/45/29/675164529.db2.gz	OWBZQUWQVKNCRG-HOTGVXAUSA-N	1	1	350.459	2.321	20	30		FEEDMO
CC[C@](C)(C#N)C(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000579264242	671723424	/nfs/dbraw/zinc/72/34/24/671723424.db2.gz	DIBFJCMSVAGIAB-TXPKVOOTSA-N	1	1	351.491	2.043	20	30		FEEDMO
C=CCn1cccc1C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000579305168	671725980	/nfs/dbraw/zinc/72/59/80/671725980.db2.gz	PTQVQQMLKQCCSU-KRWDZBQOSA-N	1	1	358.511	2.454	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)COc2cccc(Br)c2C#N)C1	ZINC000579673472	671752054	/nfs/dbraw/zinc/75/20/54/671752054.db2.gz	KPEMPFITVYQQGY-LBPRGKRZSA-N	1	1	366.259	2.158	20	30		FEEDMO
CN1C[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CCC1=O	ZINC000580579963	671819557	/nfs/dbraw/zinc/81/95/57/671819557.db2.gz	BWIKNSGDIUSQQX-MRXNPFEDSA-N	1	1	362.861	2.139	20	30		FEEDMO
CN1C[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CCC1=O	ZINC000580579963	671819561	/nfs/dbraw/zinc/81/95/61/671819561.db2.gz	BWIKNSGDIUSQQX-MRXNPFEDSA-N	1	1	362.861	2.139	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](CCC)[C@H]1C[C@H](OCC)C12CCCC2	ZINC000610134191	675955944	/nfs/dbraw/zinc/95/59/44/675955944.db2.gz	USHBPRLRIBMNGG-HOTGVXAUSA-N	1	1	351.491	2.448	20	30		FEEDMO
N#CCSCC(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1	ZINC000122388935	671966208	/nfs/dbraw/zinc/96/62/08/671966208.db2.gz	AYHAPMBAYIJLMP-UHFFFAOYSA-N	1	1	358.463	2.060	20	30		FEEDMO
Cc1nsc(N2CC[NH+](CCCO[C@H]3CCCCO3)CC2)c1C#N	ZINC000589287531	672520004	/nfs/dbraw/zinc/52/00/04/672520004.db2.gz	DRWLFVBEZSXOIJ-INIZCTEOSA-N	1	1	350.488	2.379	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCNC(=O)c1c(Cl)cc(C#N)cc1Cl	ZINC000589943750	672549345	/nfs/dbraw/zinc/54/93/45/672549345.db2.gz	GLXGBVZEFIWPIG-UHFFFAOYSA-N	1	1	357.285	2.478	20	30		FEEDMO
CN(CCCNC(=O)c1c(Cl)cc(C#N)cc1Cl)CC[NH+](C)C	ZINC000589943750	672549349	/nfs/dbraw/zinc/54/93/49/672549349.db2.gz	GLXGBVZEFIWPIG-UHFFFAOYSA-N	1	1	357.285	2.478	20	30		FEEDMO
Cc1sc(NC(=O)C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c(C#N)c1C	ZINC000611395452	676035548	/nfs/dbraw/zinc/03/55/48/676035548.db2.gz	MQQUFADZLZZDKT-INIZCTEOSA-N	1	1	362.499	2.412	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1	ZINC000611431811	676036809	/nfs/dbraw/zinc/03/68/09/676036809.db2.gz	BOINZJTVKCDZPV-PKOBYXMFSA-N	1	1	365.905	2.383	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000592075754	672749097	/nfs/dbraw/zinc/74/90/97/672749097.db2.gz	KUHQYEBUEGHPPI-CQSZACIVSA-N	1	1	368.474	2.145	20	30		FEEDMO
CC(C)CO[C@@H](C)c1noc(CON=C(N)C[N@@H+]2CCCC[C@@H]2C)n1	ZINC000245445670	672818578	/nfs/dbraw/zinc/81/85/78/672818578.db2.gz	KNZJPUJSMUVXTN-KBPBESRZSA-N	1	1	353.467	2.466	20	30		FEEDMO
CC(C)CO[C@@H](C)c1noc(CON=C(N)C[N@H+]2CCCC[C@@H]2C)n1	ZINC000245445670	672818581	/nfs/dbraw/zinc/81/85/81/672818581.db2.gz	KNZJPUJSMUVXTN-KBPBESRZSA-N	1	1	353.467	2.466	20	30		FEEDMO
C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCc2ccccc21	ZINC000593092537	672874649	/nfs/dbraw/zinc/87/46/49/672874649.db2.gz	VKKBUUQATMZYAI-OAHLLOKOSA-N	1	1	355.463	2.389	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCc2ccccc21	ZINC000593092537	672874652	/nfs/dbraw/zinc/87/46/52/672874652.db2.gz	VKKBUUQATMZYAI-OAHLLOKOSA-N	1	1	355.463	2.389	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)CC[N@H+]1C	ZINC000593486372	672929809	/nfs/dbraw/zinc/92/98/09/672929809.db2.gz	URJLVUHKFNXBQZ-ABAIWWIYSA-N	1	1	350.260	2.462	20	30		FEEDMO
N#Cc1cnc2c(Br)cccc2c1N1CC([N@H+]2CC[C@@H](O)C2)C1	ZINC000593502433	672930594	/nfs/dbraw/zinc/93/05/94/672930594.db2.gz	BUYLZWFFTWINGH-CYBMUJFWSA-N	1	1	373.254	2.124	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)c1ccsc1C#N)Cc1ccc(F)cc1	ZINC000593562017	672943804	/nfs/dbraw/zinc/94/38/04/672943804.db2.gz	QSAMWRSWYGGHEQ-UHFFFAOYSA-N	1	1	353.444	2.169	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)c1ccsc1C#N)Cc1ccc(F)cc1	ZINC000593562017	672943809	/nfs/dbraw/zinc/94/38/09/672943809.db2.gz	QSAMWRSWYGGHEQ-UHFFFAOYSA-N	1	1	353.444	2.169	20	30		FEEDMO
CC[N@@H+](CCCNC(=O)C(=O)NCC(C)(C)CC#N)C1CCCCC1	ZINC000593932693	673010583	/nfs/dbraw/zinc/01/05/83/673010583.db2.gz	XXDNISXMBXDZSQ-UHFFFAOYSA-N	1	1	350.507	2.203	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl	ZINC000594326949	673059264	/nfs/dbraw/zinc/05/92/64/673059264.db2.gz	SNMWHQXYWKVISU-HOTGVXAUSA-N	1	1	360.845	2.283	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCN2CCCS2(=O)=O)C1	ZINC000329103359	673072325	/nfs/dbraw/zinc/07/23/25/673072325.db2.gz	DFKDXYAGXLCICU-WBVHZDCISA-N	1	1	365.499	2.204	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)NC2CCN(c3nccs3)CC2)C[C@H]1C	ZINC000329772025	673082982	/nfs/dbraw/zinc/08/29/82/673082982.db2.gz	KGJNPJMRRVKVNL-KGLIPLIRSA-N	1	1	351.520	2.440	20	30		FEEDMO
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000594483023	673086400	/nfs/dbraw/zinc/08/64/00/673086400.db2.gz	HPZGUWTUUUIQAN-IAGOWNOFSA-N	1	1	351.447	2.134	20	30		FEEDMO
C[C@H](CNc1ncc(Br)cc1C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000594592877	673104083	/nfs/dbraw/zinc/10/40/83/673104083.db2.gz	ZUPORQOIICYLAC-UTUOFQBUSA-N	1	1	353.264	2.625	20	30		FEEDMO
C[C@H](CNc1ncc(Br)cc1C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000594592877	673104086	/nfs/dbraw/zinc/10/40/86/673104086.db2.gz	ZUPORQOIICYLAC-UTUOFQBUSA-N	1	1	353.264	2.625	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595072217	673190784	/nfs/dbraw/zinc/19/07/84/673190784.db2.gz	HCBKCOPXKFSPHA-GFCCVEGCSA-N	1	1	362.861	2.387	20	30		FEEDMO
CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000595194493	673207855	/nfs/dbraw/zinc/20/78/55/673207855.db2.gz	NWFWMEBBCAOUOL-AWEZNQCLSA-N	1	1	360.483	2.231	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1	ZINC000595411456	673246145	/nfs/dbraw/zinc/24/61/45/673246145.db2.gz	QFHIVHDRQUFRJE-MRXNPFEDSA-N	1	1	365.474	2.239	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC(c3nc(N)n[nH]3)CC2)c(C(F)(F)F)c1	ZINC000595487787	673257277	/nfs/dbraw/zinc/25/72/77/673257277.db2.gz	BQNJSVNBCWJFDY-UHFFFAOYSA-N	1	1	350.348	2.657	20	30		FEEDMO
C=C[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000595863797	673331863	/nfs/dbraw/zinc/33/18/63/673331863.db2.gz	JKDLNIZQFORRFY-CMPLNLGQSA-N	1	1	362.411	2.182	20	30		FEEDMO
C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNc2nc(C#N)c(Cl)s2)C1	ZINC000596550111	673393241	/nfs/dbraw/zinc/39/32/41/673393241.db2.gz	CPTGLAACDWVJEL-CQSZACIVSA-N	1	1	361.902	2.896	20	30		FEEDMO
C[N@H+]1CCN(Cc2ccccc2)[C@H](CNc2nc(C#N)c(Cl)s2)C1	ZINC000596550111	673393245	/nfs/dbraw/zinc/39/32/45/673393245.db2.gz	CPTGLAACDWVJEL-CQSZACIVSA-N	1	1	361.902	2.896	20	30		FEEDMO
CCC[C@@]1(C(=O)OCC)CCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599386708	673667470	/nfs/dbraw/zinc/66/74/70/673667470.db2.gz	WNYUPPKXNODASW-APWZRJJASA-N	1	1	352.475	2.256	20	30		FEEDMO
CC[C@@](C)(C(=O)OC)[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)CC1CC1	ZINC000599439915	673675671	/nfs/dbraw/zinc/67/56/71/673675671.db2.gz	JHIUNJJHHRIXQF-AEFFLSMTSA-N	1	1	352.475	2.111	20	30		FEEDMO
CCN(CC)S(=O)(=O)c1ccc(N=NC2CC[N@@H+](CC)C[C@@H]2C)nc1	ZINC000741454096	673687502	/nfs/dbraw/zinc/68/75/02/673687502.db2.gz	BZKWGFGNRBVHGK-AWEZNQCLSA-N	1	1	367.519	2.242	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000544439349	673711967	/nfs/dbraw/zinc/71/19/67/673711967.db2.gz	UYQPIYWYNDSSHE-UHFFFAOYSA-N	1	1	357.395	2.310	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1	ZINC000599939044	673729070	/nfs/dbraw/zinc/72/90/70/673729070.db2.gz	GBZMWRQCQBHSBH-LSDHHAIUSA-N	1	1	355.463	2.363	20	30		FEEDMO
N#Cc1cnc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c2sccc21	ZINC000601133080	673827994	/nfs/dbraw/zinc/82/79/94/673827994.db2.gz	TVBVFYQFUQRALK-HNNXBMFYSA-N	1	1	355.467	2.086	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)[C@H](C)C1	ZINC000601357016	673847515	/nfs/dbraw/zinc/84/75/15/673847515.db2.gz	YGJLMWQUTYQBDV-CJNGLKHVSA-N	1	1	353.463	2.357	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000601372445	673850548	/nfs/dbraw/zinc/85/05/48/673850548.db2.gz	YFZNQERSFLMEOS-CJNGLKHVSA-N	1	1	351.447	2.111	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCC(Nc2ccccc2C#N)CC1)[C@@H]1CCSC1	ZINC000602191126	673903131	/nfs/dbraw/zinc/90/31/31/673903131.db2.gz	KZYZPQQQXIZTBG-QGZVFWFLSA-N	1	1	358.511	2.398	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603279555	673921630	/nfs/dbraw/zinc/92/16/30/673921630.db2.gz	FOYSPVGKIPSMNP-QLFBSQMISA-N	1	1	364.515	2.125	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCCCNc2ccc(C#N)cc2CS(N)(=O)=O)C1	ZINC000603282052	673921795	/nfs/dbraw/zinc/92/17/95/673921795.db2.gz	BPSWVMKFINPVPE-HNNXBMFYSA-N	1	1	364.515	2.271	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1nnn(-c2cccc(Cl)c2)c1CC	ZINC000818599555	675227388	/nfs/dbraw/zinc/22/73/88/675227388.db2.gz	XGLWZYYYQMEGEX-UHFFFAOYSA-N	1	1	359.861	2.168	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cnnn1-c1c(Cl)cccc1Cl	ZINC000818606480	675228105	/nfs/dbraw/zinc/22/81/05/675228105.db2.gz	VCUNHJVYZFREPF-UHFFFAOYSA-N	1	1	366.252	2.259	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C	ZINC000818609394	675228417	/nfs/dbraw/zinc/22/84/17/675228417.db2.gz	SQPXIBDHHABHDC-JKSUJKDBSA-N	1	1	351.491	2.093	20	30		FEEDMO
C[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CC[N@H+](C2CCC2)C1	ZINC000567210082	675275535	/nfs/dbraw/zinc/27/55/35/675275535.db2.gz	SFQSFWPFDIGZEO-MRXNPFEDSA-N	1	1	361.511	2.138	20	30		FEEDMO
C#C[C@@H](NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)c1ccc(Cl)cc1F	ZINC000820751304	675385179	/nfs/dbraw/zinc/38/51/79/675385179.db2.gz	WJYLHOAEHYYGEI-MRXNPFEDSA-N	1	1	367.852	2.252	20	30		FEEDMO
C=C(C)Cn1c(-c2sccc2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1	ZINC000569006061	675417074	/nfs/dbraw/zinc/41/70/74/675417074.db2.gz	HSFLVIFWWZAMQH-HNNXBMFYSA-N	1	1	359.499	2.412	20	30		FEEDMO
C=C(C)Cn1c(-c2sccc2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1	ZINC000569006061	675417077	/nfs/dbraw/zinc/41/70/77/675417077.db2.gz	HSFLVIFWWZAMQH-HNNXBMFYSA-N	1	1	359.499	2.412	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1	ZINC000822153025	675471204	/nfs/dbraw/zinc/47/12/04/675471204.db2.gz	WKNYHMJIVRKEDV-KRWDZBQOSA-N	1	1	362.495	2.038	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1	ZINC000822153025	675471206	/nfs/dbraw/zinc/47/12/06/675471206.db2.gz	WKNYHMJIVRKEDV-KRWDZBQOSA-N	1	1	362.495	2.038	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCC(F)(F)CC1	ZINC000828429941	675819536	/nfs/dbraw/zinc/81/95/36/675819536.db2.gz	AJDZXCFNCOFODG-KGLIPLIRSA-N	1	1	353.417	2.235	20	30		FEEDMO
C#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1	ZINC000829788760	675890876	/nfs/dbraw/zinc/89/08/76/675890876.db2.gz	GFNLEXUAQJOUAZ-CYBMUJFWSA-N	1	1	359.495	2.400	20	30		FEEDMO
C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1	ZINC000829788760	675890879	/nfs/dbraw/zinc/89/08/79/675890879.db2.gz	GFNLEXUAQJOUAZ-CYBMUJFWSA-N	1	1	359.495	2.400	20	30		FEEDMO
C=C(C)Cn1c(-c2cc(C)cs2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1	ZINC000624999533	676609370	/nfs/dbraw/zinc/60/93/70/676609370.db2.gz	JZZQCSNSJLTOSP-OAHLLOKOSA-N	1	1	359.499	2.412	20	30		FEEDMO
C=C(C)Cn1c(-c2cc(C)cs2)nnc1N1CC[N@H+]2CCOC[C@H]2C1	ZINC000624999533	676609371	/nfs/dbraw/zinc/60/93/71/676609371.db2.gz	JZZQCSNSJLTOSP-OAHLLOKOSA-N	1	1	359.499	2.412	20	30		FEEDMO
C=C(C)CN1CCC([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1	ZINC000631063864	676931536	/nfs/dbraw/zinc/93/15/36/676931536.db2.gz	GZISIJFDYCGRKY-UHFFFAOYSA-N	1	1	357.907	2.118	20	30		FEEDMO
C=CC[C@@H]1N(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCCC1(C)C	ZINC000637375371	677127324	/nfs/dbraw/zinc/12/73/24/677127324.db2.gz	JPUYTDMMPNAMPC-HOTGVXAUSA-N	1	1	350.507	2.103	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCSCc1ccnc(Cl)c1	ZINC000838547360	680700708	/nfs/dbraw/zinc/70/07/08/680700708.db2.gz	ITEGVQPQFTYYRB-UHFFFAOYSA-N	1	1	354.907	2.223	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(I)cc1	ZINC000838624118	680706787	/nfs/dbraw/zinc/70/67/87/680706787.db2.gz	HYIJIZYALVCZAA-UHFFFAOYSA-N	1	1	371.222	2.368	20	30		FEEDMO
C=CC[N@@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000839516016	680758648	/nfs/dbraw/zinc/75/86/48/680758648.db2.gz	FIMBMIAJWRJBFJ-JKSUJKDBSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CC[N@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000839516016	680758650	/nfs/dbraw/zinc/75/86/50/680758650.db2.gz	FIMBMIAJWRJBFJ-JKSUJKDBSA-N	1	1	372.531	2.309	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC1	ZINC000747819980	679905268	/nfs/dbraw/zinc/90/52/68/679905268.db2.gz	FURBCCKEHNQUHR-AWEZNQCLSA-N	1	1	361.873	2.437	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1	ZINC000975212409	680022044	/nfs/dbraw/zinc/02/20/44/680022044.db2.gz	OSQTYLYBGRYEFB-FVQBIDKESA-N	1	1	367.921	2.309	20	30		FEEDMO
COC(=O)C1(C#N)CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1	ZINC000831694975	680026684	/nfs/dbraw/zinc/02/66/84/680026684.db2.gz	JUGFWBQNQRRSPK-UHFFFAOYSA-N	1	1	351.353	2.072	20	30		FEEDMO
CCCC[N@@H+](C)CC1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1	ZINC000749272436	680035959	/nfs/dbraw/zinc/03/59/59/680035959.db2.gz	QPHAVTLYTXXGFS-UHFFFAOYSA-N	1	1	364.515	2.154	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CC#Cc3ccccc3Cl)C2)CC[N@H+]1C	ZINC001014475992	680038744	/nfs/dbraw/zinc/03/87/44/680038744.db2.gz	MZZSJVOJIVJTOY-BPQIPLTHSA-N	1	1	359.901	2.222	20	30		FEEDMO
C=C(C)[C@H](CO)[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2	ZINC000832031414	680079125	/nfs/dbraw/zinc/07/91/25/680079125.db2.gz	ZTIUUOFPCBWKBV-HOTGVXAUSA-N	1	1	354.491	2.177	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C(C)C)s2)C1	ZINC001019500365	680095089	/nfs/dbraw/zinc/09/50/89/680095089.db2.gz	SMUHPMNVTASJLV-DZKIICNBSA-N	1	1	364.515	2.333	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(Cl)s2)C1	ZINC001019500227	680095116	/nfs/dbraw/zinc/09/51/16/680095116.db2.gz	KXRARPZYMPZFRO-HUBLWGQQSA-N	1	1	355.891	2.468	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](CCc1ccns1)CC2	ZINC000992242435	680097590	/nfs/dbraw/zinc/09/75/90/680097590.db2.gz	RNKDLLUSTGWVLL-DFEOGRTESA-N	1	1	361.511	2.390	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2cccc(F)c2C#N)C1	ZINC000751008434	680147378	/nfs/dbraw/zinc/14/73/78/680147378.db2.gz	MYJOPGIEWVTCES-OKILXGFUSA-N	1	1	353.463	2.344	20	30		FEEDMO
C#CC[NH+](CC#C)C[C@H](O)COc1ccc(Cl)cc1Br	ZINC000752074346	680221921	/nfs/dbraw/zinc/22/19/21/680221921.db2.gz	AGIJICWNPTUSPR-ZDUSSCGKSA-N	1	1	356.647	2.411	20	30		FEEDMO
C#CCN1CCN(C(=O)C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)CC1	ZINC000752340671	680237004	/nfs/dbraw/zinc/23/70/04/680237004.db2.gz	PUHZSGUIFYDNGT-UHFFFAOYSA-N	1	1	357.885	2.207	20	30		FEEDMO
C#CCN1CCN(C(=O)C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)CC1	ZINC000752340671	680237007	/nfs/dbraw/zinc/23/70/07/680237007.db2.gz	PUHZSGUIFYDNGT-UHFFFAOYSA-N	1	1	357.885	2.207	20	30		FEEDMO
Cc1[nH+]ccn1CCOC(=O)COc1ccc(C#N)c(Br)c1	ZINC000835327872	680319378	/nfs/dbraw/zinc/31/93/78/680319378.db2.gz	GXMDXDIMJLJPSZ-UHFFFAOYSA-N	1	1	364.199	2.448	20	30		FEEDMO
Brc1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc2c1OCO2	ZINC000753937792	680325196	/nfs/dbraw/zinc/32/51/96/680325196.db2.gz	ZZXJGTGGQVOUMN-RYUDHWBXSA-N	1	1	365.231	2.372	20	30		FEEDMO
CCS(=O)(=O)Nc1ccc(C(C)=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc1	ZINC000753941649	680325831	/nfs/dbraw/zinc/32/58/31/680325831.db2.gz	ZVKBOSHPSYZAEM-HOTGVXAUSA-N	1	1	363.487	2.032	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2snnc2C)CC1	ZINC000997309917	680352028	/nfs/dbraw/zinc/35/20/28/680352028.db2.gz	XGMUFWFZXTVIGQ-WQVCFCJDSA-N	1	1	364.515	2.154	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)s1	ZINC001027943136	680366079	/nfs/dbraw/zinc/36/60/79/680366079.db2.gz	NLWYIGYHIULPIN-APHBMKBZSA-N	1	1	355.467	2.227	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)s1	ZINC001027943136	680366084	/nfs/dbraw/zinc/36/60/84/680366084.db2.gz	NLWYIGYHIULPIN-APHBMKBZSA-N	1	1	355.467	2.227	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1	ZINC001028546455	680373628	/nfs/dbraw/zinc/37/36/28/680373628.db2.gz	WIWYFOLVRXQCEA-DJIMGWMZSA-N	1	1	362.905	2.345	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1	ZINC001028546455	680373634	/nfs/dbraw/zinc/37/36/34/680373634.db2.gz	WIWYFOLVRXQCEA-DJIMGWMZSA-N	1	1	362.905	2.345	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cc(OC)ns2)C1	ZINC001028863942	680385655	/nfs/dbraw/zinc/38/56/55/680385655.db2.gz	HCUCHJVSVZRIMH-QRTARXTBSA-N	1	1	365.499	2.071	20	30		FEEDMO
N#Cc1ccc(Br)c(C[NH+]2CCC3(COC(=O)N3)CC2)c1	ZINC000755048790	680395767	/nfs/dbraw/zinc/39/57/67/680395767.db2.gz	QBSKJZCKEFABQQ-UHFFFAOYSA-N	1	1	350.216	2.395	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC2CCOCC2)CC1	ZINC001029997751	680395978	/nfs/dbraw/zinc/39/59/78/680395978.db2.gz	CNVIODPKTUBWAS-MOPGFXCFSA-N	1	1	350.503	2.175	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCOCC2)C1	ZINC001034440818	680436127	/nfs/dbraw/zinc/43/61/27/680436127.db2.gz	YWSDEDCUJUCLQH-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1	ZINC000755893207	680443095	/nfs/dbraw/zinc/44/30/95/680443095.db2.gz	QPYCLMYUPAQPRG-GFCCVEGCSA-N	1	1	365.503	2.040	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC[N@H+]([C@H](C)COC)C2)CC1	ZINC001035185943	680443475	/nfs/dbraw/zinc/44/34/75/680443475.db2.gz	MQPSEPAKYREDGX-KURKYZTESA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2	ZINC001035208230	680444155	/nfs/dbraw/zinc/44/41/55/680444155.db2.gz	RVHNDOQQMCSKOP-ALYAQQCSSA-N	1	1	350.890	2.477	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@H+](C[C@@H](CC)OC)C2)CC1	ZINC001035230999	680444685	/nfs/dbraw/zinc/44/46/85/680444685.db2.gz	UAUYUEZHICVBII-KURKYZTESA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1	ZINC001035483301	680447480	/nfs/dbraw/zinc/44/74/80/680447480.db2.gz	COQOEPIPKRVVJN-BFHYXJOUSA-N	1	1	352.887	2.345	20	30		FEEDMO
C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1	ZINC001035483301	680447482	/nfs/dbraw/zinc/44/74/82/680447482.db2.gz	COQOEPIPKRVVJN-BFHYXJOUSA-N	1	1	352.887	2.345	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)CC[C@H]2CCOC2)CC1	ZINC000985435526	680447821	/nfs/dbraw/zinc/44/78/21/680447821.db2.gz	NQFHSGZPNZRFTO-UHOSZYNNSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1	ZINC001039159500	680462311	/nfs/dbraw/zinc/46/23/11/680462311.db2.gz	PNZQUQWUJNGWLU-BBWFWOEESA-N	1	1	367.921	2.024	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCc2c(Br)cccc2C1	ZINC000836487222	680475726	/nfs/dbraw/zinc/47/57/26/680475726.db2.gz	BKGWAJCJHQSXIJ-UHFFFAOYSA-N	1	1	364.287	2.472	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCC(=O)Nc1cccc(Cl)c1C	ZINC000836487229	680475761	/nfs/dbraw/zinc/47/57/61/680475761.db2.gz	BLLBHTGEOOFWOU-UHFFFAOYSA-N	1	1	364.877	2.231	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N(C)Cc1csc([C@@H](C)OCC)n1	ZINC000836488988	680476050	/nfs/dbraw/zinc/47/60/50/680476050.db2.gz	SNIICVLKVOKNDX-CQSZACIVSA-N	1	1	352.504	2.337	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1	ZINC000986158724	680497427	/nfs/dbraw/zinc/49/74/27/680497427.db2.gz	QRAJVLGSRKRDJO-OAGGEKHMSA-N	1	1	367.921	2.024	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1C	ZINC001042008320	680518234	/nfs/dbraw/zinc/51/82/34/680518234.db2.gz	UEGQMXBOXGZZRT-WQVCFCJDSA-N	1	1	361.515	2.139	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1	ZINC001004548237	680559817	/nfs/dbraw/zinc/55/98/17/680559817.db2.gz	QRLURCNOWAMPGO-IXDOHACOSA-N	1	1	367.921	2.166	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1Nc1snc(Cl)c1C#N	ZINC001043251198	680569601	/nfs/dbraw/zinc/56/96/01/680569601.db2.gz	LPGAUDHHERXLMA-NQBHXWOUSA-N	1	1	367.906	2.269	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1Nc1ncc(C#N)cc1Cl	ZINC001043450582	680582375	/nfs/dbraw/zinc/58/23/75/680582375.db2.gz	JSEGCMAXLTVFIO-WQVCFCJDSA-N	1	1	361.877	2.350	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(CCC)s1	ZINC001045210254	680624833	/nfs/dbraw/zinc/62/48/33/680624833.db2.gz	XGBVZTBZXKYECN-ZNMIVQPWSA-N	1	1	364.515	2.162	20	30		FEEDMO
Cc1nsc(N[C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2C)c1C#N	ZINC001045493504	680631933	/nfs/dbraw/zinc/63/19/33/680631933.db2.gz	UEWXQBCPWFWSCL-HUUCEWRRSA-N	1	1	358.471	2.368	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C2	ZINC001045946897	680642071	/nfs/dbraw/zinc/64/20/71/680642071.db2.gz	DMPXBXLDXOHHNT-ZHALLVOQSA-N	1	1	369.937	2.163	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCC2CCOCC2)C1	ZINC001046325687	680645722	/nfs/dbraw/zinc/64/57/22/680645722.db2.gz	AAVBLJIESBWGER-HBFSDRIKSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1	ZINC001046976988	680655690	/nfs/dbraw/zinc/65/56/90/680655690.db2.gz	IGPTXEPWRCMVBG-OWCLPIDISA-N	1	1	352.429	2.173	20	30		FEEDMO
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC(C)(C)CC#N)CC1	ZINC000837887630	680658417	/nfs/dbraw/zinc/65/84/17/680658417.db2.gz	HPVXBHDMUMXTPB-UHFFFAOYSA-N	1	1	352.479	2.032	20	30		FEEDMO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1	ZINC000843433173	681003717	/nfs/dbraw/zinc/00/37/17/681003717.db2.gz	VKIWXKRNWXBQQR-MLGOLLRUSA-N	1	1	355.360	2.478	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCN(C(=O)[C@]45C[C@H]4COC5)[C@@H]3C2)s1	ZINC001050052040	681040114	/nfs/dbraw/zinc/04/01/14/681040114.db2.gz	NSFPLLJDNCGQGM-PDVMFTSQSA-N	1	1	357.479	2.079	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc3nc(C(F)(F)F)cn3c2)CC1	ZINC000771136241	681043443	/nfs/dbraw/zinc/04/34/43/681043443.db2.gz	KBNGNDLTAGNDAI-UHFFFAOYSA-N	1	1	350.344	2.134	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1)C1CC1	ZINC000844370215	681054474	/nfs/dbraw/zinc/05/44/74/681054474.db2.gz	FSDAXBAHGFIEPJ-OALUTQOASA-N	1	1	361.873	2.432	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1)C1CC1	ZINC000844370215	681054477	/nfs/dbraw/zinc/05/44/77/681054477.db2.gz	FSDAXBAHGFIEPJ-OALUTQOASA-N	1	1	361.873	2.432	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1c1snc(Cl)c1C#N	ZINC001050901818	681057389	/nfs/dbraw/zinc/05/73/89/681057389.db2.gz	ANFNGOPCHWCKOD-WXHSDQCUSA-N	1	1	367.906	2.236	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1c1nc(C#N)c(Cl)s1	ZINC001050902126	681057433	/nfs/dbraw/zinc/05/74/33/681057433.db2.gz	IRYSWNJKUVLIGC-MDZLAQPJSA-N	1	1	367.906	2.236	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NCC2CC(Nc3ncc(C#N)cc3Cl)C2)CC[N@H+]1C	ZINC001052124631	681071833	/nfs/dbraw/zinc/07/18/33/681071833.db2.gz	QYCYZIQKRVWYQH-BNQIPGGESA-N	1	1	361.877	2.254	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](C)CN1C(=O)OC(C)(C)C	ZINC000772323118	681092878	/nfs/dbraw/zinc/09/28/78/681092878.db2.gz	HJKVZCOQNMNFLQ-LSDHHAIUSA-N	1	1	352.479	2.078	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCOC2(C[NH+](C[C@@H](C)CC)C2)C1	ZINC001053464165	681098572	/nfs/dbraw/zinc/09/85/72/681098572.db2.gz	CVTKUXOHOKOOBD-BZSNNMDCSA-N	1	1	350.503	2.317	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC(Nc3nc(C#N)c(Cl)s3)CC2)CC[N@H+]1C	ZINC001057443209	681160656	/nfs/dbraw/zinc/16/06/56/681160656.db2.gz	BMMFJEZQSLPXQC-ZYHUDNBSSA-N	1	1	367.906	2.411	20	30		FEEDMO
C[N@H+](Cc1cccc(NS(C)(=O)=O)c1)C[C@H](O)c1cccc(C#N)c1	ZINC000846008013	681172728	/nfs/dbraw/zinc/17/27/28/681172728.db2.gz	SEDSEQDVUOKTKY-SFHVURJKSA-N	1	1	359.451	2.095	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000774519545	681198174	/nfs/dbraw/zinc/19/81/74/681198174.db2.gz	RVHRPOTXHNNCTH-LZWOXQAQSA-N	1	1	362.499	2.047	20	30		FEEDMO
N#C[C@H]1CNC[C@@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1	ZINC000846313145	681223992	/nfs/dbraw/zinc/22/39/92/681223992.db2.gz	KJSMCYMXNXZXIX-YOEHRIQHSA-N	1	1	359.499	2.108	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1	ZINC000775207034	681285338	/nfs/dbraw/zinc/28/53/38/681285338.db2.gz	ZVJXKYHJVBBXPV-HOTGVXAUSA-N	1	1	367.873	2.198	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](CO)C[C@H](OCCOC)C1	ZINC000775207034	681285342	/nfs/dbraw/zinc/28/53/42/681285342.db2.gz	ZVJXKYHJVBBXPV-HOTGVXAUSA-N	1	1	367.873	2.198	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH2+][C@H](CO)c1ccccc1C(F)(F)F)C1CC1	ZINC000933248877	681380287	/nfs/dbraw/zinc/38/02/87/681380287.db2.gz	WAHFKVKFTGYUMS-ZBFHGGJFSA-N	1	1	355.360	2.137	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1ccccc1C(F)(F)F	ZINC000933248052	681380406	/nfs/dbraw/zinc/38/04/06/681380406.db2.gz	RDCMZGVBTXULPU-GDBMZVCRSA-N	1	1	357.376	2.383	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1	ZINC000933445579	681413724	/nfs/dbraw/zinc/41/37/24/681413724.db2.gz	QIBQEFDVYPUKDW-RDJZCZTQSA-N	1	1	362.495	2.038	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1	ZINC000933445579	681413730	/nfs/dbraw/zinc/41/37/30/681413730.db2.gz	QIBQEFDVYPUKDW-RDJZCZTQSA-N	1	1	362.495	2.038	20	30		FEEDMO
C=CC1(CC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000933492776	681420755	/nfs/dbraw/zinc/42/07/55/681420755.db2.gz	VLOIVMJWJNQXTB-CABCVRRESA-N	1	1	351.491	2.399	20	30		FEEDMO
COCC#CC[N@@H+]1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000933861749	681475726	/nfs/dbraw/zinc/47/57/26/681475726.db2.gz	TZCZZAYGKGYQPR-MRXNPFEDSA-N	1	1	352.475	2.127	20	30		FEEDMO
COCC#CC[N@H+]1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000933861749	681475728	/nfs/dbraw/zinc/47/57/28/681475728.db2.gz	TZCZZAYGKGYQPR-MRXNPFEDSA-N	1	1	352.475	2.127	20	30		FEEDMO
COCC#CC[N@@H+]1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000933861746	681475979	/nfs/dbraw/zinc/47/59/79/681475979.db2.gz	TZCZZAYGKGYQPR-INIZCTEOSA-N	1	1	352.475	2.127	20	30		FEEDMO
COCC#CC[N@H+]1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000933861746	681475981	/nfs/dbraw/zinc/47/59/81/681475981.db2.gz	TZCZZAYGKGYQPR-INIZCTEOSA-N	1	1	352.475	2.127	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C	ZINC000777312582	681481480	/nfs/dbraw/zinc/48/14/80/681481480.db2.gz	YUANKYUFQZPXDL-JKSUJKDBSA-N	1	1	350.459	2.417	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1	ZINC000934263044	681538312	/nfs/dbraw/zinc/53/83/12/681538312.db2.gz	ARBLDAYGQVMBAN-DLBZAZTESA-N	1	1	364.287	2.352	20	30		FEEDMO
COc1nc(-c2noc([C@H]([NH3+])CCCCC#N)n2)ncc1Br	ZINC000848627379	681591207	/nfs/dbraw/zinc/59/12/07/681591207.db2.gz	LYGLNGQHGXQCAC-SECBINFHSA-N	1	1	367.207	2.381	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1	ZINC000934836979	681645803	/nfs/dbraw/zinc/64/58/03/681645803.db2.gz	GZHBEOGRZDNVSP-QZTJIDSGSA-N	1	1	362.495	2.471	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@H]2CC(C)(C)CO2)C1	ZINC000950353041	681684149	/nfs/dbraw/zinc/68/41/49/681684149.db2.gz	CHIAZMIRHHMZHS-KURKYZTESA-N	1	1	350.503	2.315	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cs1	ZINC000913848521	685486511	/nfs/dbraw/zinc/48/65/11/685486511.db2.gz	IIIYPODCJBSFOK-OAHLLOKOSA-N	1	1	365.480	2.469	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1csc(C#N)c1)c1cccc(F)c1	ZINC000913850715	685486606	/nfs/dbraw/zinc/48/66/06/685486606.db2.gz	PPIMSARNQYXGMO-MRXNPFEDSA-N	1	1	367.471	2.481	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)C[C@H]2CCOC2)CC1	ZINC000957755553	681922462	/nfs/dbraw/zinc/92/24/62/681922462.db2.gz	IHPUHCBWVOHZKC-QRVBRYPASA-N	1	1	350.503	2.175	20	30		FEEDMO
N#Cc1ccc(-n2ccc(NC(=O)CC[NH+]3CCOCC3)n2)c(Cl)c1	ZINC000782835486	682086123	/nfs/dbraw/zinc/08/61/23/682086123.db2.gz	MDXDTIPNLAYPJU-UHFFFAOYSA-N	1	1	359.817	2.058	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(F)(F)CC3)C[C@H]21	ZINC000961813634	682100063	/nfs/dbraw/zinc/10/00/63/682100063.db2.gz	JIVUCOOYKFZAFB-NRKLIOEPSA-N	1	1	354.441	2.449	20	30		FEEDMO
CSc1ccc([C@@H](CNS(=O)(=O)CC(C)(C)C#N)[NH+](C)C)cc1	ZINC000915940242	685519736	/nfs/dbraw/zinc/51/97/36/685519736.db2.gz	OCDQSOHNLMQNRG-OAHLLOKOSA-N	1	1	355.529	2.480	20	30		FEEDMO
FC(F)(F)c1cccc(C=NNC(=S)NCCC[NH+]2CCOCC2)c1	ZINC000916310605	685523499	/nfs/dbraw/zinc/52/34/99/685523499.db2.gz	ZGMPGPYPMDUNDF-UHFFFAOYSA-N	1	1	374.432	2.226	20	30		FEEDMO
C=CC[N@@H+](CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC)C(C)C	ZINC000917167051	685530168	/nfs/dbraw/zinc/53/01/68/685530168.db2.gz	QMMTZFQXVMRTJO-UHFFFAOYSA-N	1	1	368.455	2.465	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC)C(C)C	ZINC000917167051	685530169	/nfs/dbraw/zinc/53/01/69/685530169.db2.gz	QMMTZFQXVMRTJO-UHFFFAOYSA-N	1	1	368.455	2.465	20	30		FEEDMO
CC[N@@H+](C)Cc1cccc(CNc2cccc(S(N)(=O)=O)c2C#N)c1	ZINC000784574367	682238564	/nfs/dbraw/zinc/23/85/64/682238564.db2.gz	OZFRCZGSQXPBRS-UHFFFAOYSA-N	1	1	358.467	2.269	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1Cc1snnc1C	ZINC000969037948	682254749	/nfs/dbraw/zinc/25/47/49/682254749.db2.gz	PMJRDWZPNWMXFN-OAGGEKHMSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1snnc1C	ZINC000969037948	682254751	/nfs/dbraw/zinc/25/47/51/682254751.db2.gz	PMJRDWZPNWMXFN-OAGGEKHMSA-N	1	1	364.515	2.298	20	30		FEEDMO
CC(C)[C@H](CNc1cc(Br)cnc1C#N)[NH+]1CCOCC1	ZINC000787894284	682487934	/nfs/dbraw/zinc/48/79/34/682487934.db2.gz	IYJVANODYLSQSD-HNNXBMFYSA-N	1	1	353.264	2.484	20	30		FEEDMO
C[NH+]1CCN(N=C2C(=O)Nc3ccc(Br)c(Cl)c32)CC1	ZINC000788017679	682497304	/nfs/dbraw/zinc/49/73/04/682497304.db2.gz	VDRXOEQLTYOSCP-UHFFFAOYSA-N	1	1	357.639	2.006	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(NC(=O)OC)c(C)c2)CC1	ZINC000858951214	683018830	/nfs/dbraw/zinc/01/88/30/683018830.db2.gz	SZTOJLMAPVMXQJ-UHFFFAOYSA-N	1	1	367.471	2.102	20	30		FEEDMO
Cc1c[nH+]cn1CC(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000859951870	683177196	/nfs/dbraw/zinc/17/71/96/683177196.db2.gz	REOYQMHYSZUYHG-UHFFFAOYSA-N	1	1	360.801	2.335	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](CCC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000799119379	683423792	/nfs/dbraw/zinc/42/37/92/683423792.db2.gz	CVHWFSXXOSAHSW-CVEARBPZSA-N	1	1	351.491	2.495	20	30		FEEDMO
C[C@@H](C[NH2+]Cc1cc(C#N)ccc1Br)N1CCN(C)CC1	ZINC000921690014	683543927	/nfs/dbraw/zinc/54/39/27/683543927.db2.gz	NUTXSJSQHMOKPQ-ZDUSSCGKSA-N	1	1	351.292	2.046	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+](C)C1	ZINC000865608557	684004689	/nfs/dbraw/zinc/00/46/89/684004689.db2.gz	KXMICNAUXVQVTH-KBPBESRZSA-N	1	1	359.898	2.480	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(OC)c(OC)c2Cl)C1	ZINC000923558337	684305846	/nfs/dbraw/zinc/30/58/46/684305846.db2.gz	YMAAGFYRRGEEKK-CQSZACIVSA-N	1	1	350.846	2.114	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(OC)c(OC)c2Cl)C1	ZINC000923558337	684305851	/nfs/dbraw/zinc/30/58/51/684305851.db2.gz	YMAAGFYRRGEEKK-CQSZACIVSA-N	1	1	350.846	2.114	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ncc(Br)cc23)C1	ZINC000923560786	684306460	/nfs/dbraw/zinc/30/64/60/684306460.db2.gz	IFKRPEBPCQVPFU-GFCCVEGCSA-N	1	1	361.243	2.153	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c3ncc(Br)cc23)C1	ZINC000923560786	684306464	/nfs/dbraw/zinc/30/64/64/684306464.db2.gz	IFKRPEBPCQVPFU-GFCCVEGCSA-N	1	1	361.243	2.153	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)C1	ZINC000923591914	684310115	/nfs/dbraw/zinc/31/01/15/684310115.db2.gz	HFODRIPYFSITGG-MSOLQXFVSA-N	1	1	361.873	2.121	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)C1	ZINC000923591914	684310118	/nfs/dbraw/zinc/31/01/18/684310118.db2.gz	HFODRIPYFSITGG-MSOLQXFVSA-N	1	1	361.873	2.121	20	30		FEEDMO
N#C[C@]1(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CCCOC1	ZINC000867797680	684389614	/nfs/dbraw/zinc/38/96/14/684389614.db2.gz	BJWPHKQAXGCOKZ-IEBWSBKVSA-N	1	1	359.495	2.041	20	30		FEEDMO
N#C[C@]1(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CCCOC1	ZINC000867797680	684389622	/nfs/dbraw/zinc/38/96/22/684389622.db2.gz	BJWPHKQAXGCOKZ-IEBWSBKVSA-N	1	1	359.495	2.041	20	30		FEEDMO
C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000872663889	685000465	/nfs/dbraw/zinc/00/04/65/685000465.db2.gz	PLMNRBCDSCAULU-GJZGRUSLSA-N	1	1	373.400	2.434	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1nc(C2CCCCC2)cs1	ZINC000873895725	685241529	/nfs/dbraw/zinc/24/15/29/685241529.db2.gz	BCJFRKYASXKHOM-UHFFFAOYSA-N	1	1	362.499	2.201	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC	ZINC000876784806	686268465	/nfs/dbraw/zinc/26/84/65/686268465.db2.gz	KKZZTQAVEFWFJN-HNNXBMFYSA-N	1	1	366.893	2.246	20	30		FEEDMO
CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1	ZINC000877436479	686376473	/nfs/dbraw/zinc/37/64/73/686376473.db2.gz	TVNQYPWGCSLYBN-CYBMUJFWSA-N	1	1	354.376	2.125	20	30		FEEDMO
C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@H+](CC(=O)NCCC#N)[C@@H]1C	ZINC000878880712	686682357	/nfs/dbraw/zinc/68/23/57/686682357.db2.gz	KHMXBIWKZSBUKL-KFWWJZLASA-N	1	1	352.479	2.030	20	30		FEEDMO
C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](CC(=O)NCCC#N)[C@@H]1C	ZINC000878880712	686682360	/nfs/dbraw/zinc/68/23/60/686682360.db2.gz	KHMXBIWKZSBUKL-KFWWJZLASA-N	1	1	352.479	2.030	20	30		FEEDMO
N#Cc1ccc(Br)c(C[NH+]2CCC([C@H](F)C(N)=O)CC2)c1	ZINC000879045474	686724110	/nfs/dbraw/zinc/72/41/10/686724110.db2.gz	YEOIHHUUMJEERT-AWEZNQCLSA-N	1	1	354.223	2.356	20	30		FEEDMO
CN(C[C@H](O)C[N@@H+](C)Cc1ccc(F)c(C#N)c1)C(=O)OC(C)(C)C	ZINC000879084904	686734995	/nfs/dbraw/zinc/73/49/95/686734995.db2.gz	XSXTXNOFGQSRFK-OAHLLOKOSA-N	1	1	351.422	2.357	20	30		FEEDMO
CCOC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCC1(F)F	ZINC000879372140	686808013	/nfs/dbraw/zinc/80/80/13/686808013.db2.gz	XWDJSKOQCRIYLX-LBPRGKRZSA-N	1	1	371.409	2.469	20	30		FEEDMO
C=CCNC(=O)C[NH+]1CCC(Cc2nc(C)c(C(=O)OCC)s2)CC1	ZINC000880264576	687024906	/nfs/dbraw/zinc/02/49/06/687024906.db2.gz	CWZOIBXUZVKDSS-UHFFFAOYSA-N	1	1	365.499	2.185	20	30		FEEDMO
N#Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c(F)cc1F	ZINC000880713803	687077715	/nfs/dbraw/zinc/07/77/15/687077715.db2.gz	YOXDIUKYRYUVRA-GFCCVEGCSA-N	1	1	350.369	2.022	20	30		FEEDMO
N#Cc1cnc(N2CCC([NH+]3CCOCC3)CC2)c(Br)c1	ZINC000882624677	687414019	/nfs/dbraw/zinc/41/40/19/687414019.db2.gz	IDNJOAWICUUZCX-UHFFFAOYSA-N	1	1	351.248	2.017	20	30		FEEDMO
C[C@H](NC(=O)Nc1ccc(Br)c(C#N)n1)C1=CC[N@@H+](C)CC1	ZINC000883101683	687564956	/nfs/dbraw/zinc/56/49/56/687564956.db2.gz	QNKSJZGEISEMBF-JTQLQIEISA-N	1	1	364.247	2.488	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C(F)(F)F	ZINC000884951629	687972521	/nfs/dbraw/zinc/97/25/21/687972521.db2.gz	GUZQBHUWZDYTJA-OLZOCXBDSA-N	1	1	373.400	2.482	20	30		FEEDMO
C[C@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000888423810	688609846	/nfs/dbraw/zinc/60/98/46/688609846.db2.gz	BIUCXBQFZDFHBS-BBBLOLIVSA-N	1	1	357.867	2.287	20	30		FEEDMO
C[C@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000888423810	688609847	/nfs/dbraw/zinc/60/98/47/688609847.db2.gz	BIUCXBQFZDFHBS-BBBLOLIVSA-N	1	1	357.867	2.287	20	30		FEEDMO
C#CCSCC(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2	ZINC000893921131	689429748	/nfs/dbraw/zinc/42/97/48/689429748.db2.gz	ICERLCPNGMWAQF-XLIONFOSSA-N	1	1	358.507	2.245	20	30		FEEDMO
C#CCSCC(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2	ZINC000893921131	689429749	/nfs/dbraw/zinc/42/97/49/689429749.db2.gz	ICERLCPNGMWAQF-XLIONFOSSA-N	1	1	358.507	2.245	20	30		FEEDMO
N#Cc1cccc(-c2csc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)n2)c1	ZINC000897171629	689984527	/nfs/dbraw/zinc/98/45/27/689984527.db2.gz	GNPZCACTZDNNBW-OAHLLOKOSA-N	1	1	354.435	2.341	20	30		FEEDMO
N#Cc1cccc(Br)c1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000897220110	689990261	/nfs/dbraw/zinc/99/02/61/689990261.db2.gz	SNYHYWVVYBKBBJ-GJZGRUSLSA-N	1	1	350.260	2.356	20	30		FEEDMO
N#Cc1cccc(Br)c1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000897220110	689990264	/nfs/dbraw/zinc/99/02/64/689990264.db2.gz	SNYHYWVVYBKBBJ-GJZGRUSLSA-N	1	1	350.260	2.356	20	30		FEEDMO
N#Cc1cnc(Cl)c(C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)c1	ZINC000897893485	690098244	/nfs/dbraw/zinc/09/82/44/690098244.db2.gz	OLVNMOBOLLWONM-UHFFFAOYSA-N	1	1	362.861	2.258	20	30		FEEDMO
C[C@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1cc(C#N)ccn1	ZINC000903327292	690882735	/nfs/dbraw/zinc/88/27/35/690882735.db2.gz	ZLRUCFAKQJJQOP-XPTSAGLGSA-N	1	1	372.226	2.325	20	30		FEEDMO
N#Cc1cc(Cl)cc(CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000903446157	690894271	/nfs/dbraw/zinc/89/42/71/690894271.db2.gz	UJEWXPNUOULTNU-KSSFIOAISA-N	1	1	360.889	2.292	20	30		FEEDMO
N#Cc1csc(C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)n1	ZINC000905656551	691157508	/nfs/dbraw/zinc/15/75/08/691157508.db2.gz	XVTNEUOEXRXKEH-GFCCVEGCSA-N	1	1	368.256	2.307	20	30		FEEDMO
C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CC[N@@H+](C)C(C)(C)C1	ZINC000909231572	691797863	/nfs/dbraw/zinc/79/78/63/691797863.db2.gz	CYGSYVUCPDFXNV-OAHLLOKOSA-N	1	1	351.495	2.109	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)OCCCn2cc[nH+]c2C)c1	ZINC000909893545	691868258	/nfs/dbraw/zinc/86/82/58/691868258.db2.gz	TXNGJUXJBUFCCM-UHFFFAOYSA-N	1	1	360.435	2.236	20	30		FEEDMO
N#Cc1cncc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1	ZINC001164695314	719888210	/nfs/dbraw/zinc/88/82/10/719888210.db2.gz	NCCGHDMJZACLCS-UHFFFAOYSA-N	1	1	355.467	2.281	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1C=NO)C2	ZINC001164818799	720150920	/nfs/dbraw/zinc/15/09/20/720150920.db2.gz	UTNFGDJQVOMPGJ-AZUAARDMSA-N	1	1	358.486	2.383	20	30		FEEDMO
CC(C)c1ccc(C#N)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164742265	720630523	/nfs/dbraw/zinc/63/05/23/720630523.db2.gz	MJSRXIBFVYPXMV-IRXDYDNUSA-N	1	1	364.453	2.209	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)cc(C)c3C#N)CC[C@@H]2C1	ZINC001164853265	720835498	/nfs/dbraw/zinc/83/54/98/720835498.db2.gz	NRBICQFHCSVNLF-ZBFHGGJFSA-N	1	1	364.877	2.089	20	30		FEEDMO
N#Cc1cc(Cl)cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164865714	721076329	/nfs/dbraw/zinc/07/63/29/721076329.db2.gz	OUXJGDNWONJHOG-MSOLQXFVSA-N	1	1	369.856	2.481	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5[nH]c(C#N)cc5n4)C[C@@H]3C2)cn1	ZINC001164771482	721188248	/nfs/dbraw/zinc/18/82/48/721188248.db2.gz	QLHHQIYLPBVFJL-CVEARBPZSA-N	1	1	361.453	2.126	20	30		FEEDMO
Cc1ccc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1C#N	ZINC001164883563	721408056	/nfs/dbraw/zinc/40/80/56/721408056.db2.gz	AWIJFFUCFUJLJQ-GHTZIAJQSA-N	1	1	369.513	2.027	20	30		FEEDMO
COc1cc(C#N)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1	ZINC001164906323	721537219	/nfs/dbraw/zinc/53/72/19/721537219.db2.gz	JSBLUBUGUMJVBG-QFBILLFUSA-N	1	1	368.412	2.443	20	30		FEEDMO
C=CC[NH+]1CCN(c2nc(Cl)nc3c2ncn3[C@H]2CCCCO2)CC1	ZINC001165031895	721866747	/nfs/dbraw/zinc/86/67/47/721866747.db2.gz	YUWSTOGHADUOSN-CYBMUJFWSA-N	1	1	362.865	2.487	20	30		FEEDMO
N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2	ZINC001164967177	722073990	/nfs/dbraw/zinc/07/39/90/722073990.db2.gz	MKBKCQLQNPJUPO-OKILXGFUSA-N	1	1	368.815	2.451	20	30		FEEDMO
N#Cc1cc(Cl)ncc1C(F)(F)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2	ZINC001164967177	722073991	/nfs/dbraw/zinc/07/39/91/722073991.db2.gz	MKBKCQLQNPJUPO-OKILXGFUSA-N	1	1	368.815	2.451	20	30		FEEDMO
N#Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(F)c1	ZINC001164978922	722132635	/nfs/dbraw/zinc/13/26/35/722132635.db2.gz	LAWOJQJAGMRFRW-HKUYNNGSSA-N	1	1	367.428	2.215	20	30		FEEDMO
N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1	ZINC000025698666	539766483	/nfs/dbraw/zinc/76/64/83/539766483.db2.gz	LMXJNDXYRGGFBG-FPOVZHCZSA-N	1	1	369.440	2.448	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1N1CCOCC1	ZINC000027511560	539808726	/nfs/dbraw/zinc/80/87/26/539808726.db2.gz	OEZWHMVOCAPKDG-LAUBAEHRSA-N	1	1	372.513	2.398	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1N1CCOCC1	ZINC000027511560	539808729	/nfs/dbraw/zinc/80/87/29/539808729.db2.gz	OEZWHMVOCAPKDG-LAUBAEHRSA-N	1	1	372.513	2.398	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CCCCC1	ZINC000029720259	539862165	/nfs/dbraw/zinc/86/21/65/539862165.db2.gz	HJNZRVGPXUQJSP-UHFFFAOYSA-N	1	1	359.474	2.158	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@H](C)c3cccs3)CC2)o1	ZINC000031583313	539912272	/nfs/dbraw/zinc/91/22/72/539912272.db2.gz	VWHQJZNKEBHRRE-CYBMUJFWSA-N	1	1	373.482	2.258	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@H](C)c3cccs3)CC2)o1	ZINC000031583313	539912278	/nfs/dbraw/zinc/91/22/78/539912278.db2.gz	VWHQJZNKEBHRRE-CYBMUJFWSA-N	1	1	373.482	2.258	20	30		FEEDMO
N#Cc1ccc(-n2ccc(NC(=O)CCCC[NH+]3CCOCC3)n2)c(F)c1	ZINC000530480827	539981912	/nfs/dbraw/zinc/98/19/12/539981912.db2.gz	WTLGEJLZJYDZCT-UHFFFAOYSA-N	1	1	371.416	2.324	20	30		FEEDMO
C#Cc1cccc(NC(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)c1	ZINC000043983891	540116562	/nfs/dbraw/zinc/11/65/62/540116562.db2.gz	AZWVPHWGBUSMNE-UHFFFAOYSA-N	1	1	356.470	2.076	20	30		FEEDMO
C#Cc1cccc(NC(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)c1	ZINC000043983891	540116564	/nfs/dbraw/zinc/11/65/64/540116564.db2.gz	AZWVPHWGBUSMNE-UHFFFAOYSA-N	1	1	356.470	2.076	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000045492575	540214924	/nfs/dbraw/zinc/21/49/24/540214924.db2.gz	NESFFJAMIOVHEU-LJQANCHMSA-N	1	1	358.486	2.447	20	30		FEEDMO
C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046530018	540260688	/nfs/dbraw/zinc/26/06/88/540260688.db2.gz	JMPHXLFYYSITRV-KRWDZBQOSA-N	1	1	363.465	2.122	20	30		FEEDMO
C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000046530018	540260691	/nfs/dbraw/zinc/26/06/91/540260691.db2.gz	JMPHXLFYYSITRV-KRWDZBQOSA-N	1	1	363.465	2.122	20	30		FEEDMO
C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)Cc1cccc(C#N)c1	ZINC000046518720	540260868	/nfs/dbraw/zinc/26/08/68/540260868.db2.gz	JWVBKIVETICLLI-YJBOKZPZSA-N	1	1	365.433	2.335	20	30		FEEDMO
C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000046518720	540260872	/nfs/dbraw/zinc/26/08/72/540260872.db2.gz	JWVBKIVETICLLI-YJBOKZPZSA-N	1	1	365.433	2.335	20	30		FEEDMO
N#Cc1cccnc1NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000052486233	540467888	/nfs/dbraw/zinc/46/78/88/540467888.db2.gz	QJJGODGSDDTDHM-UHFFFAOYSA-N	1	1	365.437	2.226	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1	ZINC000054183103	540573943	/nfs/dbraw/zinc/57/39/43/540573943.db2.gz	PGYDMDHKMBOURQ-SJORKVTESA-N	1	1	356.470	2.321	20	30		FEEDMO
C[C@@H]1CCCCN1C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000055171782	540632663	/nfs/dbraw/zinc/63/26/63/540632663.db2.gz	NLFQJCHANMWGRQ-GOSISDBHSA-N	1	1	354.498	2.467	20	30		FEEDMO
C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000055171782	540632664	/nfs/dbraw/zinc/63/26/64/540632664.db2.gz	NLFQJCHANMWGRQ-GOSISDBHSA-N	1	1	354.498	2.467	20	30		FEEDMO
C[C@@H]1CCCCN1C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000055171782	540632666	/nfs/dbraw/zinc/63/26/66/540632666.db2.gz	NLFQJCHANMWGRQ-GOSISDBHSA-N	1	1	354.498	2.467	20	30		FEEDMO
N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)COCc2ccco2)CC1	ZINC000058580496	540850089	/nfs/dbraw/zinc/85/00/89/540850089.db2.gz	XWARBFOCHXKKIU-GOSISDBHSA-N	1	1	355.438	2.241	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)nc1	ZINC000060479977	541114032	/nfs/dbraw/zinc/11/40/32/541114032.db2.gz	HVCNULALTJRZBN-UHFFFAOYSA-N	1	1	367.409	2.453	20	30		FEEDMO
C[C@H](CC[NH+](C)C)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000062507338	541150048	/nfs/dbraw/zinc/15/00/48/541150048.db2.gz	VKJPONMQUZLJJS-QGZVFWFLSA-N	1	1	357.502	2.116	20	30		FEEDMO
C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064634189	541212828	/nfs/dbraw/zinc/21/28/28/541212828.db2.gz	CVHGCFHYJTULGK-INIZCTEOSA-N	1	1	355.486	2.303	20	30		FEEDMO
C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064634189	541212831	/nfs/dbraw/zinc/21/28/31/541212831.db2.gz	CVHGCFHYJTULGK-INIZCTEOSA-N	1	1	355.486	2.303	20	30		FEEDMO
COC(=O)c1oc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)cc1C	ZINC000064632790	541212864	/nfs/dbraw/zinc/21/28/64/541212864.db2.gz	KBVRYLZADBKKPY-UHFFFAOYSA-N	1	1	354.410	2.354	20	30		FEEDMO
COC(=O)c1oc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)cc1C	ZINC000064632790	541212869	/nfs/dbraw/zinc/21/28/69/541212869.db2.gz	KBVRYLZADBKKPY-UHFFFAOYSA-N	1	1	354.410	2.354	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](CCOc2cccc3ccccc32)CC1	ZINC000064950761	541221598	/nfs/dbraw/zinc/22/15/98/541221598.db2.gz	FNGCDVJHBQVMEA-UHFFFAOYSA-N	1	1	353.466	2.138	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1	ZINC000065965239	541274858	/nfs/dbraw/zinc/27/48/58/541274858.db2.gz	OSJFHYJXMPPRJT-HXUWFJFHSA-N	1	1	362.518	2.202	20	30		FEEDMO
CN(c1ccccc1)C1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1	ZINC000065956004	541275464	/nfs/dbraw/zinc/27/54/64/541275464.db2.gz	OTZQTBNMQCGKBX-UHFFFAOYSA-N	1	1	353.470	2.243	20	30		FEEDMO
C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[N@H+]1CCC[C@H](C)C1	ZINC000066240564	541294547	/nfs/dbraw/zinc/29/45/47/541294547.db2.gz	FQAJMPQLRLYNFH-GJZGRUSLSA-N	1	1	366.469	2.176	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000066473112	541323216	/nfs/dbraw/zinc/32/32/16/541323216.db2.gz	HSSISJFZLHAEPW-UHOSZYNNSA-N	1	1	373.497	2.315	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1	ZINC000067397559	541456667	/nfs/dbraw/zinc/45/66/67/541456667.db2.gz	XHJAYNZGPCFRHK-HZPDHXFCSA-N	1	1	359.470	2.427	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@H+]1C	ZINC000542960257	541508914	/nfs/dbraw/zinc/50/89/14/541508914.db2.gz	VPSHLDPLGSQGSM-TZMCWYRMSA-N	1	1	356.405	2.487	20	30		FEEDMO
C=CC[N@@H+](CCn1nc2ccccn2c1=O)Cc1cccc([N+](=O)[O-])c1	ZINC000068825626	541633010	/nfs/dbraw/zinc/63/30/10/541633010.db2.gz	BKVGHLSEMTUEGV-UHFFFAOYSA-N	1	1	353.382	2.092	20	30		FEEDMO
C=CC[N@H+](CCn1nc2ccccn2c1=O)Cc1cccc([N+](=O)[O-])c1	ZINC000068825626	541633015	/nfs/dbraw/zinc/63/30/15/541633015.db2.gz	BKVGHLSEMTUEGV-UHFFFAOYSA-N	1	1	353.382	2.092	20	30		FEEDMO
C[N@@H+](CCCNS(=O)(=O)Cc1cccc(C#N)c1)Cc1ccccc1	ZINC000071891138	541775188	/nfs/dbraw/zinc/77/51/88/541775188.db2.gz	HJNVTXIUKBCSBK-UHFFFAOYSA-N	1	1	357.479	2.500	20	30		FEEDMO
Cc1nsc(N2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CC2)n1	ZINC000072801049	541868546	/nfs/dbraw/zinc/86/85/46/541868546.db2.gz	CPCQMCKGSGYZDQ-UHFFFAOYSA-N	1	1	370.482	2.259	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1	ZINC000073107865	541918689	/nfs/dbraw/zinc/91/86/89/541918689.db2.gz	LDJLWXRVXVAMFS-OXJNMPFZSA-N	1	1	356.470	2.392	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1	ZINC000073107865	541918692	/nfs/dbraw/zinc/91/86/92/541918692.db2.gz	LDJLWXRVXVAMFS-OXJNMPFZSA-N	1	1	356.470	2.392	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC000073216274	541930630	/nfs/dbraw/zinc/93/06/30/541930630.db2.gz	GSIDMAMBWKAUTA-ROUUACIJSA-N	1	1	361.534	2.270	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(C(=O)NCc3cc(C#N)ccc3F)cc2)CC1	ZINC000075177551	542157851	/nfs/dbraw/zinc/15/78/51/542157851.db2.gz	YPZHFPRVBMRMOW-UHFFFAOYSA-N	1	1	366.440	2.375	20	30		FEEDMO
COC(=O)CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCOCC1	ZINC000076144458	542237208	/nfs/dbraw/zinc/23/72/08/542237208.db2.gz	HJYRDRHFDRSHKW-UHFFFAOYSA-N	1	1	370.409	2.152	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(c3cc(-n4ccnc4)ncn3)CC2)cc1	ZINC000077487020	542388222	/nfs/dbraw/zinc/38/82/22/542388222.db2.gz	NKSXAQBBNCUALN-UHFFFAOYSA-N	1	1	359.437	2.246	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)cc1	ZINC000080431613	542588633	/nfs/dbraw/zinc/58/86/33/542588633.db2.gz	YXNYQFJELSTBOZ-QGZVFWFLSA-N	1	1	361.536	2.441	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(OC[C@@H]2CCCO2)CC1)C1(C#N)CCCCC1	ZINC000083413470	542697482	/nfs/dbraw/zinc/69/74/82/542697482.db2.gz	CFRKEEXKURQEEG-SFHVURJKSA-N	1	1	363.502	2.331	20	30		FEEDMO
CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000083537889	542698163	/nfs/dbraw/zinc/69/81/63/542698163.db2.gz	UGJUZMVLVYMHIQ-NSHDSACASA-N	1	1	361.389	2.149	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)nc1	ZINC000089644437	542767446	/nfs/dbraw/zinc/76/74/46/542767446.db2.gz	KDGYSLQFSOIUBP-MOPGFXCFSA-N	1	1	366.465	2.045	20	30		FEEDMO
C#CCCOc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1	ZINC000092044902	542841128	/nfs/dbraw/zinc/84/11/28/542841128.db2.gz	WQKUNABIGBZSKI-IBGZPJMESA-N	1	1	362.495	2.089	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1	ZINC000092044902	542841131	/nfs/dbraw/zinc/84/11/31/542841131.db2.gz	WQKUNABIGBZSKI-IBGZPJMESA-N	1	1	362.495	2.089	20	30		FEEDMO
CC[C@](C)([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1nccs1	ZINC000092643087	542876422	/nfs/dbraw/zinc/87/64/22/542876422.db2.gz	YOYVQAJSIXLULR-QAPCUYQASA-N	1	1	363.531	2.050	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CC[C@@H](N3CCN(CC)CC3)C2)cc(OC)c1O	ZINC000093132884	542911368	/nfs/dbraw/zinc/91/13/68/542911368.db2.gz	KMKVIWJDZVVNFJ-LJQANCHMSA-N	1	1	359.514	2.341	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CC[C@@H](N3CCN(CC)CC3)C2)cc(OC)c1O	ZINC000093132884	542911371	/nfs/dbraw/zinc/91/13/71/542911371.db2.gz	KMKVIWJDZVVNFJ-LJQANCHMSA-N	1	1	359.514	2.341	20	30		FEEDMO
COC(=O)N(C)CCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000104221081	543126856	/nfs/dbraw/zinc/12/68/56/543126856.db2.gz	NKJDILJNDYUNIH-UHFFFAOYSA-N	1	1	372.469	2.071	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[N@@H+](C)C1CC1	ZINC000105264451	543167211	/nfs/dbraw/zinc/16/72/11/543167211.db2.gz	WSKSPCTXTAJNIB-AWEZNQCLSA-N	1	1	359.449	2.012	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)ccc1Cl	ZINC000106963494	543258510	/nfs/dbraw/zinc/25/85/10/543258510.db2.gz	QAQMPCMVRTXJGH-CQSZACIVSA-N	1	1	360.845	2.283	20	30		FEEDMO
C#CCOc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1	ZINC000108605202	543297168	/nfs/dbraw/zinc/29/71/68/543297168.db2.gz	JAGZKGJJCQRVGS-MRXNPFEDSA-N	1	1	357.454	2.018	20	30		FEEDMO
CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1	ZINC000111226787	543386627	/nfs/dbraw/zinc/38/66/27/543386627.db2.gz	LTUYIGSCOJAIOB-HUUCEWRRSA-N	1	1	373.501	2.402	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000111511344	543405693	/nfs/dbraw/zinc/40/56/93/543405693.db2.gz	COUAYALIUKGAHH-GOSISDBHSA-N	1	1	355.486	2.264	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1	ZINC000111910933	543424440	/nfs/dbraw/zinc/42/44/40/543424440.db2.gz	ZRHHSVVKQXQPBH-OAHLLOKOSA-N	1	1	350.422	2.133	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000112699605	543457814	/nfs/dbraw/zinc/45/78/14/543457814.db2.gz	YNMKKMVGSXCYPG-MSOLQXFVSA-N	1	1	373.497	2.172	20	30		FEEDMO
COc1ccc([C@H](CO)[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)cc1	ZINC000112996454	543471520	/nfs/dbraw/zinc/47/15/20/543471520.db2.gz	XPDNEQJXWCLKNX-SFHVURJKSA-N	1	1	359.470	2.345	20	30		FEEDMO
COc1ccc([C@H](CO)[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)cc1	ZINC000112996454	543471523	/nfs/dbraw/zinc/47/15/23/543471523.db2.gz	XPDNEQJXWCLKNX-SFHVURJKSA-N	1	1	359.470	2.345	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1	ZINC000114200766	543507429	/nfs/dbraw/zinc/50/74/29/543507429.db2.gz	OYFCWRXVXJBZBP-MRXNPFEDSA-N	1	1	367.453	2.268	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H](O)COCc1ccccc1	ZINC000114461673	543517543	/nfs/dbraw/zinc/51/75/43/543517543.db2.gz	PMCSEAKWQKAJIZ-IBGZPJMESA-N	1	1	353.422	2.006	20	30		FEEDMO
C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@H](O)COCc1ccccc1	ZINC000114461673	543517546	/nfs/dbraw/zinc/51/75/46/543517546.db2.gz	PMCSEAKWQKAJIZ-IBGZPJMESA-N	1	1	353.422	2.006	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1	ZINC000114843292	543540120	/nfs/dbraw/zinc/54/01/20/543540120.db2.gz	CMQAHNPWQCXLLW-IBGZPJMESA-N	1	1	362.433	2.278	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1	ZINC000114843135	543540145	/nfs/dbraw/zinc/54/01/45/543540145.db2.gz	KUBOCVMAZMHMRA-IBGZPJMESA-N	1	1	362.433	2.278	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(C#N)nc3)c2)CCO1	ZINC000115345089	543561563	/nfs/dbraw/zinc/56/15/63/543561563.db2.gz	PSBPBGCBFYYPES-HNNXBMFYSA-N	1	1	350.422	2.104	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(C#N)nc3)c2)CCO1	ZINC000115345089	543561567	/nfs/dbraw/zinc/56/15/67/543561567.db2.gz	PSBPBGCBFYYPES-HNNXBMFYSA-N	1	1	350.422	2.104	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000120957153	543686386	/nfs/dbraw/zinc/68/63/86/543686386.db2.gz	IFGZQVXXSUGCPG-MRXNPFEDSA-N	1	1	362.430	2.197	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1	ZINC000118897877	543661871	/nfs/dbraw/zinc/66/18/71/543661871.db2.gz	SXPBGNGUNAHRCR-HUUCEWRRSA-N	1	1	374.510	2.335	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC[C@H]21	ZINC000120317983	543677892	/nfs/dbraw/zinc/67/78/92/543677892.db2.gz	IVMOQYVBXKEIQU-MAUKXSAKSA-N	1	1	368.481	2.369	20	30		FEEDMO
Cc1oc(NC(=O)CN2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C	ZINC000123636390	543774419	/nfs/dbraw/zinc/77/44/19/543774419.db2.gz	SIHUEEKFLUIKJG-HNNXBMFYSA-N	1	1	355.442	2.395	20	30		FEEDMO
C=C(C)C[N@H+](CC)[C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000125957036	543911394	/nfs/dbraw/zinc/91/13/94/543911394.db2.gz	YKLLVTAYXQPFAX-SFHVURJKSA-N	1	1	359.514	2.422	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[N@@H+]1C1CC1	ZINC000126087222	543916893	/nfs/dbraw/zinc/91/68/93/543916893.db2.gz	HINNNGHCFVDQOY-GWCFXTLKSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[N@H+]1C1CC1	ZINC000126087222	543916895	/nfs/dbraw/zinc/91/68/95/543916895.db2.gz	HINNNGHCFVDQOY-GWCFXTLKSA-N	1	1	373.400	2.481	20	30		FEEDMO
C=C[C@H](CC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1	ZINC000125575968	543890084	/nfs/dbraw/zinc/89/00/84/543890084.db2.gz	VFOQHZMTTYJBDS-IEBWSBKVSA-N	1	1	357.498	2.405	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@H]3CNC(=O)C3)o2)cc1	ZINC000125653305	543893630	/nfs/dbraw/zinc/89/36/30/543893630.db2.gz	WGNULGXPFSRYEZ-HZPDHXFCSA-N	1	1	351.410	2.099	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NOCc3cccnc3)CC2)cc1	ZINC000126995523	543967062	/nfs/dbraw/zinc/96/70/62/543967062.db2.gz	KRLIFWKQAPZEBU-UHFFFAOYSA-N	1	1	365.437	2.302	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NOCc3cccnc3)CC2)cc1	ZINC000126995523	543967063	/nfs/dbraw/zinc/96/70/63/543967063.db2.gz	KRLIFWKQAPZEBU-UHFFFAOYSA-N	1	1	365.437	2.302	20	30		FEEDMO
COc1ccc(C[NH+]2CCN(c3cccnn3)CC2)cc1OCCCC#N	ZINC000127997115	544026752	/nfs/dbraw/zinc/02/67/52/544026752.db2.gz	RJYLJBGIDISIMQ-UHFFFAOYSA-N	1	1	367.453	2.490	20	30		FEEDMO
COc1ccccc1CN1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000127399915	543990776	/nfs/dbraw/zinc/99/07/76/543990776.db2.gz	SOLBXWNSRYDIFD-FQEVSTJZSA-N	1	1	351.450	2.418	20	30		FEEDMO
COc1ccccc1CN1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000127400142	543990874	/nfs/dbraw/zinc/99/08/74/543990874.db2.gz	SOLBXWNSRYDIFD-HXUWFJFHSA-N	1	1	351.450	2.418	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@H+]1CCOC	ZINC000128411917	544050750	/nfs/dbraw/zinc/05/07/50/544050750.db2.gz	CHJYROCXLJXGAB-GOSISDBHSA-N	1	1	359.470	2.091	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1C#N	ZINC000128526761	544057472	/nfs/dbraw/zinc/05/74/72/544057472.db2.gz	OKOSDTIZNOGVTL-INIZCTEOSA-N	1	1	356.470	2.432	20	30		FEEDMO
CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000130456867	544151673	/nfs/dbraw/zinc/15/16/73/544151673.db2.gz	PNRKFTOJJKRGMJ-ASPXRTSYSA-N	1	1	362.518	2.296	20	30		FEEDMO
CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000130456867	544151676	/nfs/dbraw/zinc/15/16/76/544151676.db2.gz	PNRKFTOJJKRGMJ-ASPXRTSYSA-N	1	1	362.518	2.296	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+](CC(N)=O)C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000130938447	544171377	/nfs/dbraw/zinc/17/13/77/544171377.db2.gz	AREHVWWJJYYRLE-VQIMIIECSA-N	1	1	367.449	2.041	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+](CC(N)=O)C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000130938447	544171378	/nfs/dbraw/zinc/17/13/78/544171378.db2.gz	AREHVWWJJYYRLE-VQIMIIECSA-N	1	1	367.449	2.041	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+](CCS(C)(=O)=O)C(C)(C)C	ZINC000131638093	544199061	/nfs/dbraw/zinc/19/90/61/544199061.db2.gz	UGGXDBGSKRRCCK-UHFFFAOYSA-N	1	1	354.472	2.091	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](CCS(C)(=O)=O)C(C)(C)C	ZINC000131638093	544199062	/nfs/dbraw/zinc/19/90/62/544199062.db2.gz	UGGXDBGSKRRCCK-UHFFFAOYSA-N	1	1	354.472	2.091	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)c1	ZINC000133295558	544263732	/nfs/dbraw/zinc/26/37/32/544263732.db2.gz	XJQVBEBODSXLLP-SJORKVTESA-N	1	1	357.454	2.275	20	30		FEEDMO
N#Cc1ccc(CN2CCC([NH2+][C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1	ZINC000134870566	544324709	/nfs/dbraw/zinc/32/47/09/544324709.db2.gz	SKJADAQFZNRFDV-HXUWFJFHSA-N	1	1	366.440	2.478	20	30		FEEDMO
C=C(C)COCCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000134995359	544330608	/nfs/dbraw/zinc/33/06/08/544330608.db2.gz	IQGWAWBVXHUVKT-SFHVURJKSA-N	1	1	360.502	2.089	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000247508707	549347557	/nfs/dbraw/zinc/34/75/57/549347557.db2.gz	MZFDZRFJFKVREQ-SWLSCSKDSA-N	1	1	353.875	2.316	20	30		FEEDMO
COC(=O)[C@H](O)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000135351266	544343079	/nfs/dbraw/zinc/34/30/79/544343079.db2.gz	CVQSMKVMOBHGHQ-MRXNPFEDSA-N	1	1	355.356	2.303	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1	ZINC000146590585	544440300	/nfs/dbraw/zinc/44/03/00/544440300.db2.gz	DHLXGRZMQTYATB-CYBMUJFWSA-N	1	1	373.400	2.436	20	30		FEEDMO
CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000151933630	544597613	/nfs/dbraw/zinc/59/76/13/544597613.db2.gz	RTDOWNVWJGUPAD-SFHVURJKSA-N	1	1	356.470	2.466	20	30		FEEDMO
CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2	ZINC000152825023	544699977	/nfs/dbraw/zinc/69/99/77/544699977.db2.gz	QDZXHSILDHSWTE-JCGIZDLHSA-N	1	1	357.454	2.137	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000153766378	544820703	/nfs/dbraw/zinc/82/07/03/544820703.db2.gz	XLLZRGVYASZFMK-SFHVURJKSA-N	1	1	367.409	2.107	20	30		FEEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000154400012	544901012	/nfs/dbraw/zinc/90/10/12/544901012.db2.gz	VXDBZEHVWXFSFY-CQSZACIVSA-N	1	1	362.861	2.483	20	30		FEEDMO
N#Cc1ccnc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1Cl	ZINC000553082288	674237809	/nfs/dbraw/zinc/23/78/09/674237809.db2.gz	YHXSJBYLGPTDTP-SJORKVTESA-N	1	1	356.857	2.902	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccco1	ZINC000184604619	327875186	/nfs/dbraw/zinc/87/51/86/327875186.db2.gz	VZIQSGNOOCNBBW-OAHLLOKOSA-N	1	1	365.397	2.156	20	30		FEEDMO
C[C@H](CCN1CCN(C)CC1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000186577407	327969035	/nfs/dbraw/zinc/96/90/35/327969035.db2.gz	SPQVLDGWZINKNQ-LJQANCHMSA-N	1	1	369.557	2.138	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000187671465	328038664	/nfs/dbraw/zinc/03/86/64/328038664.db2.gz	RTRUSCREVMCRLY-OAHLLOKOSA-N	1	1	357.454	2.353	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000187671465	328038665	/nfs/dbraw/zinc/03/86/65/328038665.db2.gz	RTRUSCREVMCRLY-OAHLLOKOSA-N	1	1	357.454	2.353	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1C#N	ZINC000190446382	328208047	/nfs/dbraw/zinc/20/80/47/328208047.db2.gz	HUULKQCNAWLDDT-ACJLOTCBSA-N	1	1	370.453	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1C#N	ZINC000190446382	328208048	/nfs/dbraw/zinc/20/80/48/328208048.db2.gz	HUULKQCNAWLDDT-ACJLOTCBSA-N	1	1	370.453	2.259	20	30		FEEDMO
CCc1n[nH]c(C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000190690075	328224963	/nfs/dbraw/zinc/22/49/63/328224963.db2.gz	UKTSHRJAGPFDRX-UHFFFAOYSA-N	1	1	352.442	2.447	20	30		FEEDMO
CCc1nc(C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)n[nH]1	ZINC000190690075	328224964	/nfs/dbraw/zinc/22/49/64/328224964.db2.gz	UKTSHRJAGPFDRX-UHFFFAOYSA-N	1	1	352.442	2.447	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[NH+]2CCC1CC2	ZINC000191079191	328248788	/nfs/dbraw/zinc/24/87/88/328248788.db2.gz	AQKYMFBQYLQPIM-UHFFFAOYSA-N	1	1	359.373	2.046	20	30		FEEDMO
COc1ccnc(NC2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)n1	ZINC000192872974	328344384	/nfs/dbraw/zinc/34/43/84/328344384.db2.gz	VPCWVWJPHCRBNX-UHFFFAOYSA-N	1	1	353.426	2.442	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2Br)[C@@H](C)C1	ZINC000192959952	328349269	/nfs/dbraw/zinc/34/92/69/328349269.db2.gz	APWLOKMAAMIHFI-QWHCGFSZSA-N	1	1	352.276	2.208	20	30		FEEDMO
CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000089943678	325343731	/nfs/dbraw/zinc/34/37/31/325343731.db2.gz	SVOBAZVIYUOJAT-GFCCVEGCSA-N	1	1	372.498	2.477	20	30		FEEDMO
Cc1cccc(N2CCC(NS(=O)(=O)c3ccc(C#N)cc3)CC2)[nH+]1	ZINC000116904791	326042000	/nfs/dbraw/zinc/04/20/00/326042000.db2.gz	PTOOIJQPZMXDCO-UHFFFAOYSA-N	1	1	356.451	2.209	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@@H](C)CO)c1C#N	ZINC000118959595	326113136	/nfs/dbraw/zinc/11/31/36/326113136.db2.gz	VCEOCGYCQUHILC-LBPRGKRZSA-N	1	1	358.417	2.356	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@@H](C)CO)c1C#N	ZINC000118959595	326113138	/nfs/dbraw/zinc/11/31/38/326113138.db2.gz	VCEOCGYCQUHILC-LBPRGKRZSA-N	1	1	358.417	2.356	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C	ZINC000119295051	326146154	/nfs/dbraw/zinc/14/61/54/326146154.db2.gz	LVVLVMOIDJRBGH-PBHICJAKSA-N	1	1	372.469	2.083	20	30		FEEDMO
C[N@@H+](CCC1CCOCC1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000120393285	326255291	/nfs/dbraw/zinc/25/52/91/326255291.db2.gz	PNANIISULHVCBZ-UHFFFAOYSA-N	1	1	367.453	2.431	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000122028606	326381215	/nfs/dbraw/zinc/38/12/15/326381215.db2.gz	BMPSOCAVYGNRLA-MLGOLLRUSA-N	1	1	360.845	2.093	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1	ZINC000162320407	327022555	/nfs/dbraw/zinc/02/25/55/327022555.db2.gz	HCTMXLMFOSUBBH-HNNXBMFYSA-N	1	1	351.447	2.134	20	30		FEEDMO
CN(C)CC[NH+]1CCC(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000171145959	327120629	/nfs/dbraw/zinc/12/06/29/327120629.db2.gz	DEJPIOOUNAOBGD-UHFFFAOYSA-N	1	1	360.506	2.262	20	30		FEEDMO
CC(C)(C)n1cc(C#N)cc1NC(=O)NCCCC[N@H+]1CCC[C@H]1CO	ZINC000171788423	327161683	/nfs/dbraw/zinc/16/16/83/327161683.db2.gz	BLWYQXWJLNRVCL-INIZCTEOSA-N	1	1	361.490	2.473	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3ccon3)CC2)cc1Cl	ZINC000173623692	327271833	/nfs/dbraw/zinc/27/18/33/327271833.db2.gz	LLFSTRXBNLIHAH-UHFFFAOYSA-N	1	1	373.844	2.346	20	30		FEEDMO
COCCN1CCC([NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000173644218	327273256	/nfs/dbraw/zinc/27/32/56/327273256.db2.gz	PEVAYABZSJCHTC-CYBMUJFWSA-N	1	1	364.877	2.239	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000177985804	327557032	/nfs/dbraw/zinc/55/70/32/327557032.db2.gz	CSRGXYFBXIXYTF-IBGZPJMESA-N	1	1	352.394	2.322	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000264288326	329007392	/nfs/dbraw/zinc/00/73/92/329007392.db2.gz	TYVVODRAGFEMQB-FCEWJHQRSA-N	1	1	356.470	2.341	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000264288326	329007393	/nfs/dbraw/zinc/00/73/93/329007393.db2.gz	TYVVODRAGFEMQB-FCEWJHQRSA-N	1	1	356.470	2.341	20	30		FEEDMO
N#Cc1ccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-]	ZINC000267963194	329372126	/nfs/dbraw/zinc/37/21/26/329372126.db2.gz	UBNGTYGLERCZSN-GOSISDBHSA-N	1	1	352.394	2.298	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000268171940	329393132	/nfs/dbraw/zinc/39/31/32/329393132.db2.gz	QVHVISKJYGQHCX-HNAYVOBHSA-N	1	1	356.470	2.199	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)C1	ZINC000276211311	330129639	/nfs/dbraw/zinc/12/96/39/330129639.db2.gz	ZYEMVDHRAPEZFF-LRDDRELGSA-N	1	1	362.861	2.339	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000555406663	674359525	/nfs/dbraw/zinc/35/95/25/674359525.db2.gz	NKNKAOMVZUADKM-MRXNPFEDSA-N	1	1	365.474	2.191	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(=O)Nc1ccccc1F	ZINC000155499000	545533791	/nfs/dbraw/zinc/53/37/91/545533791.db2.gz	SXMHAJDEDCRKCW-AWEZNQCLSA-N	1	1	368.416	2.027	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)Nc1ccccc1F	ZINC000155499000	545533797	/nfs/dbraw/zinc/53/37/97/545533797.db2.gz	SXMHAJDEDCRKCW-AWEZNQCLSA-N	1	1	368.416	2.027	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3[C@H](C)C[N@H+](C)C[C@@H]3C)C2)n1	ZINC000155528636	545537503	/nfs/dbraw/zinc/53/75/03/545537503.db2.gz	MPFDENVXILDYJR-SOLBZPMBSA-N	1	1	355.486	2.029	20	30		FEEDMO
C#CC[N@H+](CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)C1CCCC1	ZINC000155738998	545564261	/nfs/dbraw/zinc/56/42/61/545564261.db2.gz	PHVCYVRENUSTQK-GOSISDBHSA-N	1	1	373.541	2.361	20	30		FEEDMO
N#Cc1ccc(NCC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc1	ZINC000498040727	538804022	/nfs/dbraw/zinc/80/40/22/538804022.db2.gz	ZHFJDFWVVWFWNR-UHFFFAOYSA-N	1	1	367.428	2.239	20	30		FEEDMO
N#Cc1ccc(NCC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc1	ZINC000498040727	538804027	/nfs/dbraw/zinc/80/40/27/538804027.db2.gz	ZHFJDFWVVWFWNR-UHFFFAOYSA-N	1	1	367.428	2.239	20	30		FEEDMO
CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1	ZINC000156062520	545596513	/nfs/dbraw/zinc/59/65/13/545596513.db2.gz	YYPOWQPUHVSELS-GOSISDBHSA-N	1	1	355.463	2.349	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000156585804	545637263	/nfs/dbraw/zinc/63/72/63/545637263.db2.gz	RIPVYZQVGQJEGZ-OCCSQVGLSA-N	1	1	362.861	2.339	20	30		FEEDMO
C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(C#N)cc1F	ZINC000477918852	561156438	/nfs/dbraw/zinc/15/64/38/561156438.db2.gz	PZNIQMYLSGATHY-ZDUSSCGKSA-N	1	1	362.426	2.314	20	30		FEEDMO
C[C@H](CC#N)NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000159655135	545970354	/nfs/dbraw/zinc/97/03/54/545970354.db2.gz	RMOZEPZYMWGZEB-OAHLLOKOSA-N	1	1	355.442	2.397	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1C#N	ZINC000160180631	546014984	/nfs/dbraw/zinc/01/49/84/546014984.db2.gz	COIZGDVALQONMI-HNNXBMFYSA-N	1	1	372.469	2.132	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccn(CCC#N)n1	ZINC000163493900	546146072	/nfs/dbraw/zinc/14/60/72/546146072.db2.gz	JFRITXXWOXUQRN-WBVHZDCISA-N	1	1	352.442	2.439	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1	ZINC000171054982	546188622	/nfs/dbraw/zinc/18/86/22/546188622.db2.gz	OOGVBPVWFXAVBU-AWEZNQCLSA-N	1	1	362.861	2.018	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1	ZINC000171054982	546188627	/nfs/dbraw/zinc/18/86/27/546188627.db2.gz	OOGVBPVWFXAVBU-AWEZNQCLSA-N	1	1	362.861	2.018	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000171305600	546202820	/nfs/dbraw/zinc/20/28/20/546202820.db2.gz	IKWAVUVSUXXHMP-FHWLQOOXSA-N	1	1	363.546	2.397	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccccc2Br)CC1	ZINC000171537610	546213946	/nfs/dbraw/zinc/21/39/46/546213946.db2.gz	FOSBBTLZBAJAOB-UHFFFAOYSA-N	1	1	359.289	2.378	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000171623653	546216647	/nfs/dbraw/zinc/21/66/47/546216647.db2.gz	WASXYFCUGWFFKF-HOTGVXAUSA-N	1	1	370.501	2.135	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000171623653	546216652	/nfs/dbraw/zinc/21/66/52/546216652.db2.gz	WASXYFCUGWFFKF-HOTGVXAUSA-N	1	1	370.501	2.135	20	30		FEEDMO
N#CCCn1ccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)n1	ZINC000173348956	546279021	/nfs/dbraw/zinc/27/90/21/546279021.db2.gz	AQILTXISPUHLIR-UHFFFAOYSA-N	1	1	352.442	2.189	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000173469259	546282054	/nfs/dbraw/zinc/28/20/54/546282054.db2.gz	DEPARLISAJCBJR-GJZGRUSLSA-N	1	1	361.446	2.289	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000173469259	546282059	/nfs/dbraw/zinc/28/20/59/546282059.db2.gz	DEPARLISAJCBJR-GJZGRUSLSA-N	1	1	361.446	2.289	20	30		FEEDMO
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[N@H+](C)CCO1	ZINC000174681652	546301923	/nfs/dbraw/zinc/30/19/23/546301923.db2.gz	GMCCSMUZFWSASM-OAHLLOKOSA-N	1	1	371.250	2.433	20	30		FEEDMO
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1C[N@@H+](C)CCO1	ZINC000174681652	546301926	/nfs/dbraw/zinc/30/19/26/546301926.db2.gz	GMCCSMUZFWSASM-OAHLLOKOSA-N	1	1	371.250	2.433	20	30		FEEDMO
C=CCOc1ccc(CNc2nc(N3CCn4cnnc4C3)cc[nH+]2)cc1	ZINC000479753092	561196332	/nfs/dbraw/zinc/19/63/32/561196332.db2.gz	JYOASWHZRIBZBU-UHFFFAOYSA-N	1	1	363.425	2.265	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1	ZINC000175619713	546321594	/nfs/dbraw/zinc/32/15/94/546321594.db2.gz	MCDLDQLZFNQPSQ-MRXNPFEDSA-N	1	1	373.501	2.352	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1	ZINC000176332387	546433131	/nfs/dbraw/zinc/43/31/31/546433131.db2.gz	WZQHKAFLUOMYRO-UHFFFAOYSA-N	1	1	368.412	2.193	20	30		FEEDMO
N#CCCN(CC(F)(F)F)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000177626356	546655524	/nfs/dbraw/zinc/65/55/24/546655524.db2.gz	CWQVJHUTYYAZEN-OAHLLOKOSA-N	1	1	355.360	2.192	20	30		FEEDMO
N#CCCN(CC(F)(F)F)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000177626356	546655531	/nfs/dbraw/zinc/65/55/31/546655531.db2.gz	CWQVJHUTYYAZEN-OAHLLOKOSA-N	1	1	355.360	2.192	20	30		FEEDMO
C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000481213158	561228013	/nfs/dbraw/zinc/22/80/13/561228013.db2.gz	QWQYQIHYPHGHNH-UHFFFAOYSA-N	1	1	365.499	2.308	20	30		FEEDMO
C=C(C)C[N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000481213158	561228014	/nfs/dbraw/zinc/22/80/14/561228014.db2.gz	QWQYQIHYPHGHNH-UHFFFAOYSA-N	1	1	365.499	2.308	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)COc3ccccc3C#N)CC2)nc(C)[nH+]1	ZINC000178185876	546753747	/nfs/dbraw/zinc/75/37/47/546753747.db2.gz	VHKMKFRWQTZFGY-UHFFFAOYSA-N	1	1	365.437	2.129	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1	ZINC000178418549	546790557	/nfs/dbraw/zinc/79/05/57/546790557.db2.gz	WJVNDTOSINOZSQ-HNNXBMFYSA-N	1	1	356.470	2.434	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1	ZINC000178448893	546795987	/nfs/dbraw/zinc/79/59/87/546795987.db2.gz	RNHOMRYPTWCYEQ-CQSZACIVSA-N	1	1	356.470	2.432	20	30		FEEDMO
C[C@@H](N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1)C(F)(F)F	ZINC000178734503	546841224	/nfs/dbraw/zinc/84/12/24/546841224.db2.gz	OBEQRAALYUTBHU-CYBMUJFWSA-N	1	1	354.376	2.455	20	30		FEEDMO
C=CCC[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1	ZINC000179170218	546909275	/nfs/dbraw/zinc/90/92/75/546909275.db2.gz	OXFOHFLBURYCTC-SFHVURJKSA-N	1	1	358.486	2.157	20	30		FEEDMO
COc1cccc([C@@H]2[C@@H](NS(=O)(=O)CCCC#N)CC[N@@H+]2C2CC2)c1	ZINC000179901330	547026959	/nfs/dbraw/zinc/02/69/59/547026959.db2.gz	CDIUPBQNFLPHLA-ZWKOTPCHSA-N	1	1	363.483	2.196	20	30		FEEDMO
COc1cccc([C@@H]2[C@@H](NS(=O)(=O)CCCC#N)CC[N@H+]2C2CC2)c1	ZINC000179901330	547026960	/nfs/dbraw/zinc/02/69/60/547026960.db2.gz	CDIUPBQNFLPHLA-ZWKOTPCHSA-N	1	1	363.483	2.196	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2Cc3ccccc3C[C@H]2C)CC1	ZINC000180685530	547158231	/nfs/dbraw/zinc/15/82/31/547158231.db2.gz	IWXFMOGNCHWNNT-XLIONFOSSA-N	1	1	354.498	2.126	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cn1	ZINC000180954746	547218025	/nfs/dbraw/zinc/21/80/25/547218025.db2.gz	CARPZDOXDUYLTC-MRXNPFEDSA-N	1	1	354.435	2.127	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H](C(C)(C)C)C3)CC2)o1	ZINC000483257829	561272054	/nfs/dbraw/zinc/27/20/54/561272054.db2.gz	SDODSDMUZPLTOS-MRXNPFEDSA-N	1	1	373.501	2.261	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCOCc1ccccc1	ZINC000182461023	547497621	/nfs/dbraw/zinc/49/76/21/547497621.db2.gz	XJNBEYNPHMVDAM-KRWDZBQOSA-N	1	1	351.454	2.466	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000182622616	547523202	/nfs/dbraw/zinc/52/32/02/547523202.db2.gz	SCAYGSURZXQGDK-APWZRJJASA-N	1	1	358.461	2.409	20	30		FEEDMO
C[C@@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)C(=O)NC1(C#N)CCCCC1	ZINC000183075692	547596434	/nfs/dbraw/zinc/59/64/34/547596434.db2.gz	NUBBXOSLWRGDKV-FZXICVGQSA-N	1	1	361.511	2.427	20	30		FEEDMO
Cc1oc(NC(=O)C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)c(C#N)c1C	ZINC000183082301	547597890	/nfs/dbraw/zinc/59/78/90/547597890.db2.gz	PWTCHTIHCWMLRB-IVCQMTBJSA-N	1	1	359.451	2.416	20	30		FEEDMO
N#Cc1cccc(/C=C/C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1	ZINC000183784202	547719706	/nfs/dbraw/zinc/71/97/06/547719706.db2.gz	QDJRZYGAFVHSKQ-SHBDEGQCSA-N	1	1	361.445	2.454	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1cccc(Br)c1	ZINC000183899679	547736180	/nfs/dbraw/zinc/73/61/80/547736180.db2.gz	BSJHBOLXAIYDJK-HOCLYGCPSA-N	1	1	368.275	2.127	20	30		FEEDMO
CC[N@@H+](CCO)CCNC(=O)c1ccccc1Oc1ccccc1C#N	ZINC000183952896	547744330	/nfs/dbraw/zinc/74/43/30/547744330.db2.gz	QJNOOZYDGOOLFH-UHFFFAOYSA-N	1	1	353.422	2.395	20	30		FEEDMO
C[NH+]1CCN(CCC(C)(C)NC(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000184221647	547790031	/nfs/dbraw/zinc/79/00/31/547790031.db2.gz	PBBFURTUUFSUQN-UHFFFAOYSA-N	1	1	374.554	2.324	20	30		FEEDMO
C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CCCCOc1cccc(C#N)c1	ZINC000184393608	547819255	/nfs/dbraw/zinc/81/92/55/547819255.db2.gz	VGQRWQONQPXZMI-SFHVURJKSA-N	1	1	372.513	2.250	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC[C@@H]21	ZINC000184597027	547851175	/nfs/dbraw/zinc/85/11/75/547851175.db2.gz	OBRBUGPQQNDROB-RDJZCZTQSA-N	1	1	365.441	2.087	20	30		FEEDMO
COC(=O)[C@@]1(C)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000186370208	548126112	/nfs/dbraw/zinc/12/61/12/548126112.db2.gz	UHADXKXUFVWOKR-GOSISDBHSA-N	1	1	361.467	2.465	20	30		FEEDMO
COC(=O)[C@@]1(C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000186370208	548126116	/nfs/dbraw/zinc/12/61/16/548126116.db2.gz	UHADXKXUFVWOKR-GOSISDBHSA-N	1	1	361.467	2.465	20	30		FEEDMO
COc1cc([C@H](C#N)NC(=O)[C@H]2CCCc3[nH+]ccn32)cc(OC)c1OC	ZINC000486125516	561338686	/nfs/dbraw/zinc/33/86/86/561338686.db2.gz	VCUFFKPAVOHAEL-UONOGXRCSA-N	1	1	370.409	2.167	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(CC#N)c1	ZINC000188167527	548273919	/nfs/dbraw/zinc/27/39/19/548273919.db2.gz	GUVGMRQJODJCEG-JOCHJYFZSA-N	1	1	363.461	2.462	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)NCC[N@H+]2CCCOCC2)cc1OC	ZINC000189401963	548302287	/nfs/dbraw/zinc/30/22/87/548302287.db2.gz	MHTAENLABKKCPD-SOFGYWHQSA-N	1	1	360.454	2.112	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)CC2(O)CCOCC2)c1C	ZINC000189776939	548310609	/nfs/dbraw/zinc/31/06/09/548310609.db2.gz	RLOVUZFCSDVGPX-UHFFFAOYSA-N	1	1	359.470	2.023	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C2(CO)CCOCC2)c1	ZINC000191002431	548339112	/nfs/dbraw/zinc/33/91/12/548339112.db2.gz	SMXHNHVCBOIBJU-UHFFFAOYSA-N	1	1	359.470	2.023	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(NC(=O)C2CC2)CC1	ZINC000192889192	548374565	/nfs/dbraw/zinc/37/45/65/548374565.db2.gz	LXNLRJMKJRVZBB-ZGOJQLDESA-N	1	1	374.529	2.296	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1	ZINC000194964063	548556133	/nfs/dbraw/zinc/55/61/33/548556133.db2.gz	DPXBRYLWQGSJGH-IBGZPJMESA-N	1	1	369.465	2.467	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1	ZINC000194964063	548556135	/nfs/dbraw/zinc/55/61/35/548556135.db2.gz	DPXBRYLWQGSJGH-IBGZPJMESA-N	1	1	369.465	2.467	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000227905115	548753397	/nfs/dbraw/zinc/75/33/97/548753397.db2.gz	HRQLXCHWRWNRJN-RHSMWYFYSA-N	1	1	354.454	2.123	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](CCC(N)=O)C1	ZINC000245393510	548905710	/nfs/dbraw/zinc/90/57/10/548905710.db2.gz	DDGWHXSZJNMGQQ-ASPXRTSYSA-N	1	1	362.518	2.283	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](Cn4cncn4)C3)C2=O)cc1	ZINC000245513399	548937618	/nfs/dbraw/zinc/93/76/18/548937618.db2.gz	AHBQWPBKFBGUPB-MJGOQNOKSA-N	1	1	364.453	2.057	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1C	ZINC000245564151	548948070	/nfs/dbraw/zinc/94/80/70/548948070.db2.gz	YVHASOJKSJQYLD-STQMWFEESA-N	1	1	352.276	2.208	20	30		FEEDMO
N#Cc1csc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1	ZINC000245572919	548949315	/nfs/dbraw/zinc/94/93/15/548949315.db2.gz	CRMOJTCDNGTOFI-IRXDYDNUSA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1csc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1	ZINC000245572919	548949320	/nfs/dbraw/zinc/94/93/20/548949320.db2.gz	CRMOJTCDNGTOFI-IRXDYDNUSA-N	1	1	355.463	2.233	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000245625114	548960328	/nfs/dbraw/zinc/96/03/28/548960328.db2.gz	OUDOHIAYHVXFIV-OGWOLHLISA-N	1	1	366.465	2.361	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000245625114	548960330	/nfs/dbraw/zinc/96/03/30/548960330.db2.gz	OUDOHIAYHVXFIV-OGWOLHLISA-N	1	1	366.465	2.361	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000246228470	549084140	/nfs/dbraw/zinc/08/41/40/549084140.db2.gz	CAURIPBMMCPHKF-APWZRJJASA-N	1	1	356.470	2.072	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000246228470	549084145	/nfs/dbraw/zinc/08/41/45/549084145.db2.gz	CAURIPBMMCPHKF-APWZRJJASA-N	1	1	356.470	2.072	20	30		FEEDMO
Cn1cc(C#N)cc1C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000246289321	549097540	/nfs/dbraw/zinc/09/75/40/549097540.db2.gz	AYAYJYIZNKWJKX-FQEVSTJZSA-N	1	1	365.481	2.005	20	30		FEEDMO
Cn1cc(C#N)cc1C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000246289321	549097543	/nfs/dbraw/zinc/09/75/43/549097543.db2.gz	AYAYJYIZNKWJKX-FQEVSTJZSA-N	1	1	365.481	2.005	20	30		FEEDMO
Cn1cc(C#N)cc1C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1	ZINC000246289321	549097548	/nfs/dbraw/zinc/09/75/48/549097548.db2.gz	AYAYJYIZNKWJKX-FQEVSTJZSA-N	1	1	365.481	2.005	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@@H](C)C1	ZINC000246674268	549187010	/nfs/dbraw/zinc/18/70/10/549187010.db2.gz	BRMFZICHDZOYPI-FUHWJXTLSA-N	1	1	359.470	2.190	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCO[C@@H](C#N)C3)cc2)C1	ZINC000246916497	549242595	/nfs/dbraw/zinc/24/25/95/549242595.db2.gz	AISIVCAVYGYQDO-APWZRJJASA-N	1	1	356.470	2.352	20	30		FEEDMO
C=CC[C@@H](C)NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000246925423	549243556	/nfs/dbraw/zinc/24/35/56/549243556.db2.gz	BLFPLCBEYJLEDO-CRAIPNDOSA-N	1	1	358.486	2.148	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2	ZINC000248497088	549450688	/nfs/dbraw/zinc/45/06/88/549450688.db2.gz	LPXMXULMOHYGJZ-GDBMZVCRSA-N	1	1	359.470	2.038	20	30		FEEDMO
C=CCCCS(=O)(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000489548325	561414082	/nfs/dbraw/zinc/41/40/82/561414082.db2.gz	GGTCLYRMCOZESB-QGZVFWFLSA-N	1	1	351.516	2.083	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000249163886	549564072	/nfs/dbraw/zinc/56/40/72/549564072.db2.gz	JUAWFAKLDCNKKK-CRAIPNDOSA-N	1	1	372.469	2.106	20	30		FEEDMO
Cc1cc(CNS(=O)(=O)c2cnc(C)c(C#N)c2)cc(N2CCCC2)[nH+]1	ZINC000489879422	561421247	/nfs/dbraw/zinc/42/12/47/561421247.db2.gz	KJXSRJCXDLXGLU-UHFFFAOYSA-N	1	1	371.466	2.044	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](Cc2nccn2C)C1	ZINC000252656445	549676232	/nfs/dbraw/zinc/67/62/32/549676232.db2.gz	GKKIFKIAGQWFQX-IRXDYDNUSA-N	1	1	357.502	2.406	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000253357942	549683529	/nfs/dbraw/zinc/68/35/29/549683529.db2.gz	JNWYZWGJWRBQAQ-CABCVRRESA-N	1	1	372.469	2.132	20	30		FEEDMO
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@H]1CN(C2CC2)C[C@@H]1C	ZINC000261955264	549773434	/nfs/dbraw/zinc/77/34/34/549773434.db2.gz	IOXVSBHKDVLEMJ-ONGXEEELSA-N	1	1	361.437	2.310	20	30		FEEDMO
C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)NC1CCN(Cc2ccccn2)CC1	ZINC000262371057	549815000	/nfs/dbraw/zinc/81/50/00/549815000.db2.gz	IPHHUVNJXLBMBC-NQIIRXRSSA-N	1	1	373.545	2.415	20	30		FEEDMO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]([NH2+]C)c2cnn(C)c2)cc1	ZINC000262525099	549826251	/nfs/dbraw/zinc/82/62/51/549826251.db2.gz	LEZISXRDAQEHAJ-SFHVURJKSA-N	1	1	367.453	2.134	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000263789781	549937440	/nfs/dbraw/zinc/93/74/40/549937440.db2.gz	XDXDFQULFZQHPN-MRXNPFEDSA-N	1	1	356.470	2.371	20	30		FEEDMO
Cc1nnc(N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)c(C#N)c1C	ZINC000264091057	549977908	/nfs/dbraw/zinc/97/79/08/549977908.db2.gz	BNWIIKFOOMVTHG-UHFFFAOYSA-N	1	1	359.474	2.207	20	30		FEEDMO
Cc1nnc(N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)c(C#N)c1C	ZINC000264091057	549977910	/nfs/dbraw/zinc/97/79/10/549977910.db2.gz	BNWIIKFOOMVTHG-UHFFFAOYSA-N	1	1	359.474	2.207	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264167936	549987601	/nfs/dbraw/zinc/98/76/01/549987601.db2.gz	YCVAIRUWGSFOPJ-INIZCTEOSA-N	1	1	354.454	2.410	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000264747648	550000756	/nfs/dbraw/zinc/00/07/56/550000756.db2.gz	JJKTYYJXYOVQBE-CYBMUJFWSA-N	1	1	356.923	2.345	20	30		FEEDMO
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1cccc(C(N)=O)c1	ZINC000264822385	550002364	/nfs/dbraw/zinc/00/23/64/550002364.db2.gz	GFYZOHRMBFIXEO-LBPRGKRZSA-N	1	1	364.446	2.077	20	30		FEEDMO
C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1ccc(C(N)=O)cc1	ZINC000264931396	550003642	/nfs/dbraw/zinc/00/36/42/550003642.db2.gz	PJUHBTJBZABMBD-GFCCVEGCSA-N	1	1	364.446	2.077	20	30		FEEDMO
N#CCCCCNC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000265106757	550006206	/nfs/dbraw/zinc/00/62/06/550006206.db2.gz	VSAPVXRDBMHWIV-UHFFFAOYSA-N	1	1	359.474	2.009	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000265469909	550010168	/nfs/dbraw/zinc/01/01/68/550010168.db2.gz	HUWORRDDPCOQIT-FQEVSTJZSA-N	1	1	364.449	2.324	20	30		FEEDMO
C=CCCCCCN(C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000265766849	550014201	/nfs/dbraw/zinc/01/42/01/550014201.db2.gz	LBPSGKLVEIXZOR-UHFFFAOYSA-N	1	1	374.533	2.377	20	30		FEEDMO
C=CCOCCCC(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1	ZINC000266279571	550018944	/nfs/dbraw/zinc/01/89/44/550018944.db2.gz	UHYLRDIWTJQBRE-UHFFFAOYSA-N	1	1	359.514	2.423	20	30		FEEDMO
CCC[N@@H+]1Cc2cccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)c2C1	ZINC000266853680	550025045	/nfs/dbraw/zinc/02/50/45/550025045.db2.gz	RVGRVIKLZOQILD-VXPUYCOJSA-N	1	1	368.437	2.267	20	30		FEEDMO
CCC[N@H+]1Cc2cccc(NC(=O)CCNC(=O)C3N=CC=CC3=O)c2C1	ZINC000266853680	550025047	/nfs/dbraw/zinc/02/50/47/550025047.db2.gz	RVGRVIKLZOQILD-VXPUYCOJSA-N	1	1	368.437	2.267	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)CC1(CS(C)(=O)=O)CC1)C(C)C	ZINC000267035867	550027024	/nfs/dbraw/zinc/02/70/24/550027024.db2.gz	USQXLPVREZTBLW-INIZCTEOSA-N	1	1	356.532	2.016	20	30		FEEDMO
COc1ccc(CCNC(=O)[C@H](C)O[NH+]=C(N)C2CCCC2)cc1OC	ZINC000267479393	550032098	/nfs/dbraw/zinc/03/20/98/550032098.db2.gz	XIAXPDZJCPCPPO-ZDUSSCGKSA-N	1	1	363.458	2.230	20	30		FEEDMO
N#Cc1ccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000269699952	550218106	/nfs/dbraw/zinc/21/81/06/550218106.db2.gz	YCEJWVUBSYBOTQ-AZUAARDMSA-N	1	1	352.482	2.123	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(O)(COC)CC1	ZINC000270355894	550264643	/nfs/dbraw/zinc/26/46/43/550264643.db2.gz	IZKBHBRUGPBXOZ-OAHLLOKOSA-N	1	1	352.500	2.125	20	30		FEEDMO
N#CCc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1	ZINC000270862209	550314762	/nfs/dbraw/zinc/31/47/62/550314762.db2.gz	NEAOGIQLCXOUPE-SFTDATJTSA-N	1	1	363.461	2.365	20	30		FEEDMO
Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)nn1CCC#N	ZINC000271118953	550342518	/nfs/dbraw/zinc/34/25/18/550342518.db2.gz	IVRCSBDBAKHBLE-LJQANCHMSA-N	1	1	366.469	2.032	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)CCOCCCOC)c(OC)c1	ZINC000271553399	550384818	/nfs/dbraw/zinc/38/48/18/550384818.db2.gz	YVPSKVVXLGPYFA-GOSISDBHSA-N	1	1	367.486	2.148	20	30		FEEDMO
C#CCCN1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1	ZINC000272023594	550416597	/nfs/dbraw/zinc/41/65/97/550416597.db2.gz	NOPMBWVSHPHJIK-UHFFFAOYSA-N	1	1	354.410	2.433	20	30		FEEDMO
Cc1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)nn1CCC#N	ZINC000272088371	550422061	/nfs/dbraw/zinc/42/20/61/550422061.db2.gz	MSXRBKQWHAIMSC-UHFFFAOYSA-N	1	1	364.413	2.316	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21	ZINC000272567940	550458144	/nfs/dbraw/zinc/45/81/44/550458144.db2.gz	VAHVYWVYYAPCCB-DLBZAZTESA-N	1	1	357.454	2.278	20	30		FEEDMO
CC1(C#N)CC[NH+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1	ZINC000272619724	550461032	/nfs/dbraw/zinc/46/10/32/550461032.db2.gz	UPBFBXXDXYBKAW-UHFFFAOYSA-N	1	1	368.481	2.489	20	30		FEEDMO
CC1(C#N)CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1	ZINC000272750192	550468531	/nfs/dbraw/zinc/46/85/31/550468531.db2.gz	IRTRJDKTMFSFOK-SFHVURJKSA-N	1	1	356.470	2.088	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000274593258	550545219	/nfs/dbraw/zinc/54/52/19/550545219.db2.gz	RFRIZWKEXIRFEW-UHFFFAOYSA-N	1	1	356.470	2.266	20	30		FEEDMO
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000275734608	550574085	/nfs/dbraw/zinc/57/40/85/550574085.db2.gz	VGJOAWPIHZHPSM-CVEARBPZSA-N	1	1	356.470	2.475	20	30		FEEDMO
O=C1N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1CC#Cc1ccccc1	ZINC000276526602	550579050	/nfs/dbraw/zinc/57/90/50/550579050.db2.gz	FKMCGORKFPHQMD-QFIPXVFZSA-N	1	1	359.429	2.235	20	30		FEEDMO
N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1	ZINC000277442448	550670989	/nfs/dbraw/zinc/67/09/89/550670989.db2.gz	HBWQDWQQYMUWCA-AWEZNQCLSA-N	1	1	360.845	2.283	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc(CC(=O)N[C@@H](C)c3ccccc3)no2)CC1	ZINC000277726703	550706810	/nfs/dbraw/zinc/70/68/10/550706810.db2.gz	CMGARXZZDUQONZ-HNNXBMFYSA-N	1	1	352.438	2.302	20	30		FEEDMO
CCC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000277749108	550709641	/nfs/dbraw/zinc/70/96/41/550709641.db2.gz	LJVMPDOZJZDDRO-HXUWFJFHSA-N	1	1	367.453	2.309	20	30		FEEDMO
CCC[C@]1(CO)CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000277749108	550709643	/nfs/dbraw/zinc/70/96/43/550709643.db2.gz	LJVMPDOZJZDDRO-HXUWFJFHSA-N	1	1	367.453	2.309	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)[C@@H](C)C1	ZINC000277814426	550717079	/nfs/dbraw/zinc/71/70/79/550717079.db2.gz	WNTASDPZDVKNIR-KBXCAEBGSA-N	1	1	373.501	2.260	20	30		FEEDMO
C[C@@H]1OCC[C@]12C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CCO2	ZINC000279720485	550921042	/nfs/dbraw/zinc/92/10/42/550921042.db2.gz	UPOOXWKXTHCDPV-JXFKEZNVSA-N	1	1	367.453	2.239	20	30		FEEDMO
C[C@@H]1OCC[C@]12C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CCO2	ZINC000279720485	550921043	/nfs/dbraw/zinc/92/10/43/550921043.db2.gz	UPOOXWKXTHCDPV-JXFKEZNVSA-N	1	1	367.453	2.239	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CC)CCC(=O)N2CCc3ccccc3C2)n1	ZINC000279835502	550934169	/nfs/dbraw/zinc/93/41/69/550934169.db2.gz	ZZZADYNTZLWKJE-UHFFFAOYSA-N	1	1	350.466	2.313	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CC)CCC(=O)N2CCc3ccccc3C2)n1	ZINC000279835502	550934171	/nfs/dbraw/zinc/93/41/71/550934171.db2.gz	ZZZADYNTZLWKJE-UHFFFAOYSA-N	1	1	350.466	2.313	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@]2(CCOC2)O1	ZINC000280372934	550986584	/nfs/dbraw/zinc/98/65/84/550986584.db2.gz	VMCQLKJXYQJSHO-FOIQADDNSA-N	1	1	352.438	2.339	20	30		FEEDMO
C=C(C)CS(=O)(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000280599813	551012125	/nfs/dbraw/zinc/01/21/25/551012125.db2.gz	PETSOPKTZNGNNI-IYBDPMFKSA-N	1	1	352.500	2.291	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3nnc4ccccc4n3)CC2)cc1	ZINC000280835065	551037251	/nfs/dbraw/zinc/03/72/51/551037251.db2.gz	USCNDEIGMXXZDK-UHFFFAOYSA-N	1	1	372.432	2.245	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3nnc4ccccc4n3)CC2)cc1	ZINC000280835065	551037253	/nfs/dbraw/zinc/03/72/53/551037253.db2.gz	USCNDEIGMXXZDK-UHFFFAOYSA-N	1	1	372.432	2.245	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000281239899	551077144	/nfs/dbraw/zinc/07/71/44/551077144.db2.gz	ULPXBCPDMOWMHD-IBGZPJMESA-N	1	1	374.510	2.285	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000281239899	551077145	/nfs/dbraw/zinc/07/71/45/551077145.db2.gz	ULPXBCPDMOWMHD-IBGZPJMESA-N	1	1	374.510	2.285	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O	ZINC000281480360	551102956	/nfs/dbraw/zinc/10/29/56/551102956.db2.gz	WMMPVRVSAXYDPB-INIZCTEOSA-N	1	1	360.845	2.259	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000281870099	551150818	/nfs/dbraw/zinc/15/08/18/551150818.db2.gz	SMRWCSRIOWTGFO-UXHICEINSA-N	1	1	373.497	2.299	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000497423150	561500742	/nfs/dbraw/zinc/50/07/42/561500742.db2.gz	YIBOETVCHLQPIT-GOSISDBHSA-N	1	1	370.497	2.049	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CCOCCO)sc2C1	ZINC000282489643	551236389	/nfs/dbraw/zinc/23/63/89/551236389.db2.gz	MYWQSSNWEVCYNG-CYBMUJFWSA-N	1	1	365.499	2.014	20	30		FEEDMO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000282644910	551255336	/nfs/dbraw/zinc/25/53/36/551255336.db2.gz	QCGMSAUOKPCFDR-YJBOKZPZSA-N	1	1	367.501	2.318	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000282992132	551294691	/nfs/dbraw/zinc/29/46/91/551294691.db2.gz	NASLPEOTRPHUDX-HUUCEWRRSA-N	1	1	370.544	2.028	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000282992124	551294773	/nfs/dbraw/zinc/29/47/73/551294773.db2.gz	NASLPEOTRPHUDX-GJZGRUSLSA-N	1	1	370.544	2.028	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc(C#N)ccn3)c2)CCO1	ZINC000283202643	551328392	/nfs/dbraw/zinc/32/83/92/551328392.db2.gz	ZOSXVXXBAFZBGF-OAHLLOKOSA-N	1	1	350.422	2.104	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc(C#N)ccn3)c2)CCO1	ZINC000283202643	551328393	/nfs/dbraw/zinc/32/83/93/551328393.db2.gz	ZOSXVXXBAFZBGF-OAHLLOKOSA-N	1	1	350.422	2.104	20	30		FEEDMO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000283353650	551352137	/nfs/dbraw/zinc/35/21/37/551352137.db2.gz	SGNXGZBWQCAQMX-MRXNPFEDSA-N	1	1	357.506	2.423	20	30		FEEDMO
CC(C)[N@@H+](CCOCCO)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000283783004	551426474	/nfs/dbraw/zinc/42/64/74/551426474.db2.gz	ROMUNBASIXALLU-UHFFFAOYSA-N	1	1	367.877	2.306	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1	ZINC000284576279	551581112	/nfs/dbraw/zinc/58/11/12/551581112.db2.gz	KNWHGCNJICRXFX-NWDGAFQWSA-N	1	1	370.375	2.496	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1	ZINC000498532172	561527181	/nfs/dbraw/zinc/52/71/81/561527181.db2.gz	BHRBDHXAIGTIBF-GOSISDBHSA-N	1	1	359.514	2.422	20	30		FEEDMO
CN(CCC[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1)Cc1ccco1	ZINC000285522083	551769689	/nfs/dbraw/zinc/76/96/89/551769689.db2.gz	DYQLFFUQAZXYCP-GOSISDBHSA-N	1	1	357.454	2.345	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)S(C)(=O)=O	ZINC000285613418	551783149	/nfs/dbraw/zinc/78/31/49/551783149.db2.gz	MWAQCEFWRLGKAF-INIZCTEOSA-N	1	1	354.903	2.295	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)S(C)(=O)=O	ZINC000285613418	551783150	/nfs/dbraw/zinc/78/31/50/551783150.db2.gz	MWAQCEFWRLGKAF-INIZCTEOSA-N	1	1	354.903	2.295	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C	ZINC000285771444	551808205	/nfs/dbraw/zinc/80/82/05/551808205.db2.gz	DMBCBSOFXNYWJR-WSTZPKSXSA-N	1	1	370.497	2.117	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1F	ZINC000285875881	551822207	/nfs/dbraw/zinc/82/22/07/551822207.db2.gz	WFOPZXWGQNGXSQ-ICSRJNTNSA-N	1	1	367.424	2.310	20	30		FEEDMO
COc1cc(OC)c2ncc(C#N)c(NCCCN3CC[NH+](C)CC3)c2c1	ZINC000285957934	551831961	/nfs/dbraw/zinc/83/19/61/551831961.db2.gz	AHFXJZJRUWKTPJ-UHFFFAOYSA-N	1	1	369.469	2.173	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21	ZINC000286065188	551844681	/nfs/dbraw/zinc/84/46/81/551844681.db2.gz	RRLKXAPTYZSBBD-VAMGGRTRSA-N	1	1	366.465	2.147	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1	ZINC000286504345	551893648	/nfs/dbraw/zinc/89/36/48/551893648.db2.gz	RLXPZUUBPBBWAV-UHFFFAOYSA-N	1	1	368.456	2.081	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H](C(=O)N3CC[N@H+]4CCCC[C@H]4C3)C2)c(F)c1	ZINC000286886051	551936436	/nfs/dbraw/zinc/93/64/36/551936436.db2.gz	IUBFRHBWFYKECZ-SJORKVTESA-N	1	1	356.445	2.220	20	30		FEEDMO
COc1cc(OC)c2ncc(C#N)c(N3CCN(c4[nH]cc[nH+]4)CC3)c2c1	ZINC000288035440	552078203	/nfs/dbraw/zinc/07/82/03/552078203.db2.gz	ATNKECCWUSFALY-UHFFFAOYSA-N	1	1	364.409	2.173	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000288247366	552118450	/nfs/dbraw/zinc/11/84/50/552118450.db2.gz	BHHZXFBDULEQPE-MRXNPFEDSA-N	1	1	357.479	2.498	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000500351197	561570575	/nfs/dbraw/zinc/57/05/75/561570575.db2.gz	BHNUOHPRVASAAX-WCIQWLHISA-N	1	1	361.482	2.017	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000289613077	552349633	/nfs/dbraw/zinc/34/96/33/552349633.db2.gz	YONPRZFKPJLJRK-CRAIPNDOSA-N	1	1	370.478	2.285	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000289613086	552349656	/nfs/dbraw/zinc/34/96/56/552349656.db2.gz	YONPRZFKPJLJRK-QAPCUYQASA-N	1	1	370.478	2.285	20	30		FEEDMO
CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nc(C)cs1	ZINC000289784648	552377615	/nfs/dbraw/zinc/37/76/15/552377615.db2.gz	JFQIETYKUWPRDO-CYBMUJFWSA-N	1	1	350.469	2.233	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc(OC)c1O	ZINC000289838813	552386774	/nfs/dbraw/zinc/38/67/74/552386774.db2.gz	UNCDDDIVSHMYFP-YWZLYKJASA-N	1	1	373.453	2.082	20	30		FEEDMO
C=C[C@H](CO)NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1	ZINC000289965704	552406676	/nfs/dbraw/zinc/40/66/76/552406676.db2.gz	FHDVSHJXDRGVMC-MRXNPFEDSA-N	1	1	359.470	2.053	20	30		FEEDMO
C=C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1	ZINC000289965700	552406891	/nfs/dbraw/zinc/40/68/91/552406891.db2.gz	FHDVSHJXDRGVMC-INIZCTEOSA-N	1	1	359.470	2.053	20	30		FEEDMO
CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000290530677	552493598	/nfs/dbraw/zinc/49/35/98/552493598.db2.gz	WNPBUOUHTGLVQN-GFCCVEGCSA-N	1	1	350.850	2.387	20	30		FEEDMO
Cc1cc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)cc(N2CCCC2)[nH+]1	ZINC000290687768	552520075	/nfs/dbraw/zinc/52/00/75/552520075.db2.gz	CIXDLAKFFWQACL-UHFFFAOYSA-N	1	1	363.421	2.117	20	30		FEEDMO
C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1	ZINC000291048491	552580515	/nfs/dbraw/zinc/58/05/15/552580515.db2.gz	OSEVZJMAHHBBSC-QGZVFWFLSA-N	1	1	369.517	2.066	20	30		FEEDMO
C=CCN(CCC#N)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000291694963	552651974	/nfs/dbraw/zinc/65/19/74/552651974.db2.gz	FYYOPLZIEVTTBC-QGZVFWFLSA-N	1	1	355.442	2.070	20	30		FEEDMO
C=CCN(CCC#N)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000291694963	552651976	/nfs/dbraw/zinc/65/19/76/552651976.db2.gz	FYYOPLZIEVTTBC-QGZVFWFLSA-N	1	1	355.442	2.070	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@](CO)(c4ccccc4)C3)C2=O)cc1	ZINC000291898664	552673039	/nfs/dbraw/zinc/67/30/39/552673039.db2.gz	RBAYAXLORPXEKN-RBBKRZOGSA-N	1	1	361.445	2.300	20	30		FEEDMO
C=CCN(CCC#N)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1	ZINC000292176585	552701438	/nfs/dbraw/zinc/70/14/38/552701438.db2.gz	MEOCHVHQXBYBMI-UHFFFAOYSA-N	1	1	354.498	2.431	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000292432470	552726244	/nfs/dbraw/zinc/72/62/44/552726244.db2.gz	WEZIAUWSSIVJRH-SOLBZPMBSA-N	1	1	373.497	2.265	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000292432470	552726245	/nfs/dbraw/zinc/72/62/45/552726245.db2.gz	WEZIAUWSSIVJRH-SOLBZPMBSA-N	1	1	373.497	2.265	20	30		FEEDMO
C[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)[N@H+]1CCCC[C@@H]1C	ZINC000501533572	561599885	/nfs/dbraw/zinc/59/98/85/561599885.db2.gz	RQQQPFMAUSHHBO-DLBZAZTESA-N	1	1	370.501	2.048	20	30		FEEDMO
N#Cc1ccsc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000293047498	552783903	/nfs/dbraw/zinc/78/39/03/552783903.db2.gz	NUOCCJWBBPPNAT-INIZCTEOSA-N	1	1	368.462	2.339	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C2)C1	ZINC000293120061	552790596	/nfs/dbraw/zinc/79/05/96/552790596.db2.gz	DRUYDUWOHMRWED-LJQANCHMSA-N	1	1	372.494	2.185	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@@H]3C(N)=O)sc2C1	ZINC000293163110	552794867	/nfs/dbraw/zinc/79/48/67/552794867.db2.gz	CKCXGLGEACJMIB-SWLSCSKDSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCC[C@@H]3C(N)=O)sc2C1	ZINC000293163110	552794868	/nfs/dbraw/zinc/79/48/68/552794868.db2.gz	CKCXGLGEACJMIB-SWLSCSKDSA-N	1	1	374.510	2.413	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@H](CO)CC1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000293258631	552804387	/nfs/dbraw/zinc/80/43/87/552804387.db2.gz	UHCZABGDMVLPMD-MRXNPFEDSA-N	1	1	368.399	2.268	20	30		FEEDMO
C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)C2)C1	ZINC000293453049	552825482	/nfs/dbraw/zinc/82/54/82/552825482.db2.gz	SVXYOZDJJKELHX-OAQYLSRUSA-N	1	1	368.481	2.371	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)COc1ccccc1OCC(F)(F)F	ZINC000294087738	552880880	/nfs/dbraw/zinc/88/08/80/552880880.db2.gz	XICVBSRGFCOFJD-UHFFFAOYSA-N	1	1	358.360	2.078	20	30		FEEDMO
CSc1ccc([C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)[NH+](C)C)cc1	ZINC000294249437	552891281	/nfs/dbraw/zinc/89/12/81/552891281.db2.gz	UNEFVLQMZJMVTR-CJNGLKHVSA-N	1	1	370.544	2.080	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@]3(C#N)CC34CCCC4)cc2)CC1	ZINC000294628431	552921959	/nfs/dbraw/zinc/92/19/59/552921959.db2.gz	UBVHBPPIIAFLSR-NRFANRHFSA-N	1	1	366.465	2.487	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1	ZINC000295205513	552969652	/nfs/dbraw/zinc/96/96/52/552969652.db2.gz	LKQSWGFVHLTZKY-HNNXBMFYSA-N	1	1	372.494	2.335	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1	ZINC000295558267	553026008	/nfs/dbraw/zinc/02/60/08/553026008.db2.gz	KVDZNZOHMDEFRS-DLBZAZTESA-N	1	1	362.433	2.168	20	30		FEEDMO
N#C[C@]1(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC12CCCC2	ZINC000295721252	553049953	/nfs/dbraw/zinc/04/99/53/553049953.db2.gz	UHLPLUINPDKFHO-NQIIRXRSSA-N	1	1	353.466	2.343	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1	ZINC000296393015	553152446	/nfs/dbraw/zinc/15/24/46/553152446.db2.gz	IKDQWUPMVBAPGO-CQSZACIVSA-N	1	1	371.441	2.061	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)Cc1ccc(F)cc1C#N)Cc1ccccc1	ZINC000296694472	553199144	/nfs/dbraw/zinc/19/91/44/553199144.db2.gz	KEXDUJFXBFETPA-UHFFFAOYSA-N	1	1	361.442	2.249	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)Cc1ccc(F)cc1C#N)Cc1ccccc1	ZINC000296694472	553199145	/nfs/dbraw/zinc/19/91/45/553199145.db2.gz	KEXDUJFXBFETPA-UHFFFAOYSA-N	1	1	361.442	2.249	20	30		FEEDMO
C[S@](=O)C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccccc1	ZINC000298851462	553481065	/nfs/dbraw/zinc/48/10/65/553481065.db2.gz	IPORPAPMNVTRFP-NWLBTCKQSA-N	1	1	373.503	2.434	20	30		FEEDMO
C[C@H](O)C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000299204494	553530628	/nfs/dbraw/zinc/53/06/28/553530628.db2.gz	GBALTRMNCUFWPR-SWLSCSKDSA-N	1	1	351.834	2.012	20	30		FEEDMO
C[C@H](O)C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000299204494	553530629	/nfs/dbraw/zinc/53/06/29/553530629.db2.gz	GBALTRMNCUFWPR-SWLSCSKDSA-N	1	1	351.834	2.012	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2CC(=O)Nc2sccc2C#N)C[C@H](C)O1	ZINC000299274804	553540951	/nfs/dbraw/zinc/54/09/51/553540951.db2.gz	PXIUCZNKVVRPJD-LZWOXQAQSA-N	1	1	362.499	2.132	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2CC(=O)Nc2sccc2C#N)C[C@H](C)O1	ZINC000299274804	553540952	/nfs/dbraw/zinc/54/09/52/553540952.db2.gz	PXIUCZNKVVRPJD-LZWOXQAQSA-N	1	1	362.499	2.132	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000299428192	553561854	/nfs/dbraw/zinc/56/18/54/553561854.db2.gz	HKFQEYDSFZGZFM-RBUKOAKNSA-N	1	1	356.470	2.343	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(c2cc(C#N)nc3ccccc32)CC1	ZINC000301366147	553645764	/nfs/dbraw/zinc/64/57/64/553645764.db2.gz	SHFMIGOIAAYMKR-UHFFFAOYSA-N	1	1	365.481	2.487	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000302708896	553727470	/nfs/dbraw/zinc/72/74/70/553727470.db2.gz	YXXNJRLWSLJZAR-ZDUSSCGKSA-N	1	1	369.425	2.296	20	30		FEEDMO
CCCc1noc2nc(CC)cc(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)c12	ZINC000328636265	553800100	/nfs/dbraw/zinc/80/01/00/553800100.db2.gz	ADDXHMXLTDYKAA-AWEZNQCLSA-N	1	1	359.474	2.288	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CNC(=O)C2CCCCC2)CC1	ZINC000328659881	553803696	/nfs/dbraw/zinc/80/36/96/553803696.db2.gz	UISRCARLLSRFMY-SFHVURJKSA-N	1	1	364.534	2.152	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O	ZINC000328665652	553804862	/nfs/dbraw/zinc/80/48/62/553804862.db2.gz	ZJTXXSAFTUGUAX-HZPDHXFCSA-N	1	1	373.453	2.252	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCOC2(CCOCC2)C1	ZINC000328706578	553810301	/nfs/dbraw/zinc/81/03/01/553810301.db2.gz	LNJVIWCEZNXPQZ-DLBZAZTESA-N	1	1	353.507	2.339	20	30		FEEDMO
Cc1c([C@H]2OCC[C@@H]2C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cnn1C	ZINC000328716238	553811583	/nfs/dbraw/zinc/81/15/83/553811583.db2.gz	DSUUXQBBPWNEKD-RDJZCZTQSA-N	1	1	372.473	2.165	20	30		FEEDMO
C[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](C)C1	ZINC000505786465	561680802	/nfs/dbraw/zinc/68/08/02/561680802.db2.gz	AOKNVVABLOWKRG-CLCXKQKWSA-N	1	1	351.491	2.485	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)[C@H](C)CO1	ZINC000328796689	553823508	/nfs/dbraw/zinc/82/35/08/553823508.db2.gz	UZQTXYSKUQIBCN-CPUCHLNUSA-N	1	1	362.474	2.493	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1C(F)F	ZINC000328848937	553832140	/nfs/dbraw/zinc/83/21/40/553832140.db2.gz	TVPAVHJXOIOXJZ-GFCCVEGCSA-N	1	1	358.437	2.048	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c[nH+]ccc1-n1cccn1	ZINC000505888231	561684150	/nfs/dbraw/zinc/68/41/50/561684150.db2.gz	NMPLWPFZNVTHBP-UHFFFAOYSA-N	1	1	362.393	2.428	20	30		FEEDMO
Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000328951543	553851519	/nfs/dbraw/zinc/85/15/19/553851519.db2.gz	LRLZFBYRUPETKF-YQQAZPJKSA-N	1	1	373.501	2.489	20	30		FEEDMO
Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000328951543	553851520	/nfs/dbraw/zinc/85/15/20/553851520.db2.gz	LRLZFBYRUPETKF-YQQAZPJKSA-N	1	1	373.501	2.489	20	30		FEEDMO
Cc1noc([C@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C2CCOCC2)n1	ZINC000329024619	553866973	/nfs/dbraw/zinc/86/69/73/553866973.db2.gz	JCMCAOGQSDTVRZ-CZUORRHYSA-N	1	1	365.478	2.081	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)C[N@H+]1C1CC1	ZINC000329260159	553912737	/nfs/dbraw/zinc/91/27/37/553912737.db2.gz	CTWBEHZUUSTVFV-AZGFTEDZSA-N	1	1	363.462	2.023	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)C[N@H+]1C1CC1	ZINC000329260161	553913031	/nfs/dbraw/zinc/91/30/31/553913031.db2.gz	CTWBEHZUUSTVFV-YVVSIOMPSA-N	1	1	363.462	2.023	20	30		FEEDMO
CC1CCC(NS(=O)(=O)CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1	ZINC000329270028	553914902	/nfs/dbraw/zinc/91/49/02/553914902.db2.gz	IPQCWIKAYFXVCA-FJBKBRRZSA-N	1	1	357.520	2.068	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)CC(=O)N1C1CC1	ZINC000329287778	553918586	/nfs/dbraw/zinc/91/85/86/553918586.db2.gz	HLKBVMIFZZSZTA-AKCHCHLHSA-N	1	1	373.501	2.446	20	30		FEEDMO
CC(C)N(CC(=O)N1CCCCCC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000329296671	553919738	/nfs/dbraw/zinc/91/97/38/553919738.db2.gz	SZQAZYHOAGPSBI-IAGOWNOFSA-N	1	1	352.523	2.496	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O	ZINC000329325900	553925680	/nfs/dbraw/zinc/92/56/80/553925680.db2.gz	WHVXLKZPEWNABO-UJWQCDCRSA-N	1	1	367.534	2.273	20	30		FEEDMO
C[C@@H]1C[C@@H](C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CC(=O)N1	ZINC000329336372	553927713	/nfs/dbraw/zinc/92/77/13/553927713.db2.gz	LSWBAFYMUNIIQD-GDBMZVCRSA-N	1	1	372.469	2.346	20	30		FEEDMO
C[C@@H](CN1CCOCC1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1	ZINC000329369659	553933795	/nfs/dbraw/zinc/93/37/95/553933795.db2.gz	JOFYHQYSKAJUQH-INIZCTEOSA-N	1	1	361.486	2.200	20	30		FEEDMO
C[C@H](NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000329391435	553937236	/nfs/dbraw/zinc/93/72/36/553937236.db2.gz	STNWMZWMNXJXRA-ISARSNTHSA-N	1	1	365.518	2.433	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)NCCNC(=O)Cc3cccc(F)c3)[C@@H]2C1	ZINC000329422116	553943609	/nfs/dbraw/zinc/94/36/09/553943609.db2.gz	HJNMVOSFZNLVHV-NVXWUHKLSA-N	1	1	362.449	2.265	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)[C@@H]2C1	ZINC000329433454	553945758	/nfs/dbraw/zinc/94/57/58/553945758.db2.gz	KVRLICSAEQSTCB-RHSMWYFYSA-N	1	1	374.489	2.354	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1	ZINC000506683292	561705739	/nfs/dbraw/zinc/70/57/39/561705739.db2.gz	QIDUXLIOXAOMKM-QGZVFWFLSA-N	1	1	351.454	2.466	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000506751192	561707634	/nfs/dbraw/zinc/70/76/34/561707634.db2.gz	XNALCFNIQVIIHO-HNAYVOBHSA-N	1	1	351.491	2.438	20	30		FEEDMO
COCCn1cc2c(n1)[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)CCC2	ZINC000329510720	553960075	/nfs/dbraw/zinc/96/00/75/553960075.db2.gz	KFCPXORKRYTUMM-IAGOWNOFSA-N	1	1	363.506	2.093	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@]3(CCCOC3)C2)C1	ZINC000329522577	553961790	/nfs/dbraw/zinc/96/17/90/553961790.db2.gz	GEUQQQARPAYVGV-IEBWSBKVSA-N	1	1	353.507	2.150	20	30		FEEDMO
C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)CC[N@H+]1C	ZINC000329562201	553967993	/nfs/dbraw/zinc/96/79/93/553967993.db2.gz	JLXHKTBUYYKZNI-HJWJTTGWSA-N	1	1	351.470	2.019	20	30		FEEDMO
O=C(Nc1ccccc1C[NH+]1CCSCC1)N1C[C@@H]2CC[C@H](O)[C@H]2C1	ZINC000329582036	553971227	/nfs/dbraw/zinc/97/12/27/553971227.db2.gz	VHPAIUYITAGQRD-ZVZYQTTQSA-N	1	1	361.511	2.484	20	30		FEEDMO
C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2CCCCC23CCCC3)CC1	ZINC000329599360	553974597	/nfs/dbraw/zinc/97/45/97/553974597.db2.gz	DLOBIWXVQUAHOO-MRXNPFEDSA-N	1	1	350.507	2.157	20	30		FEEDMO
C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1	ZINC000329614682	553977308	/nfs/dbraw/zinc/97/73/08/553977308.db2.gz	PIWIXABUKXRUDZ-QBPKDAKJSA-N	1	1	353.507	2.289	20	30		FEEDMO
C[C@H]1C[C@H]1N1C[C@H](NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O	ZINC000329641320	553981429	/nfs/dbraw/zinc/98/14/29/553981429.db2.gz	XRHJOLSNXUQSDT-CSQLCUNESA-N	1	1	370.497	2.020	20	30		FEEDMO
C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2C[C@@]23CCOC3)CC1	ZINC000329684686	553987847	/nfs/dbraw/zinc/98/78/47/553987847.db2.gz	YFIMAFMFSCETQR-OXJNMPFZSA-N	1	1	357.454	2.479	20	30		FEEDMO
CCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1	ZINC000329697576	553991401	/nfs/dbraw/zinc/99/14/01/553991401.db2.gz	CIHMKEMUSZCFGX-HUUCEWRRSA-N	1	1	369.531	2.288	20	30		FEEDMO
CC(C)C(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1	ZINC000329700968	553991741	/nfs/dbraw/zinc/99/17/41/553991741.db2.gz	HBGFXFBEZHPIDQ-IAGOWNOFSA-N	1	1	364.534	2.354	20	30		FEEDMO
C[C@H](NC(=O)N[C@H]1CCN(C(=O)C2CCCCC2)C1)C1=CC[N@@H+](C)CC1	ZINC000329707962	553993106	/nfs/dbraw/zinc/99/31/06/553993106.db2.gz	LYNJPLUJEYCNPO-YJBOKZPZSA-N	1	1	362.518	2.322	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1	ZINC000329731295	553996537	/nfs/dbraw/zinc/99/65/37/553996537.db2.gz	IEEXWDIBGJPEID-HBPKQKSZSA-N	1	1	364.490	2.126	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)[C@@H](C)C1	ZINC000329740512	553997913	/nfs/dbraw/zinc/99/79/13/553997913.db2.gz	OALMNPYNKZEXDM-IWSXDTNSSA-N	1	1	366.506	2.229	20	30		FEEDMO
CC(C)CC(=O)N1CCC(NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1	ZINC000329800213	554008039	/nfs/dbraw/zinc/00/80/39/554008039.db2.gz	IJCIGZUIMYYCSX-RHSMWYFYSA-N	1	1	350.507	2.010	20	30		FEEDMO
C[C@H](CCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1	ZINC000329806634	554009726	/nfs/dbraw/zinc/00/97/26/554009726.db2.gz	OCLAAJQGFDCOHX-IEBWSBKVSA-N	1	1	372.513	2.333	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1	ZINC000329812023	554010075	/nfs/dbraw/zinc/01/00/75/554010075.db2.gz	CXMJWDUIZZIJCB-ZIAGYGMSSA-N	1	1	373.457	2.234	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)CC2)CCO1	ZINC000329812492	554010392	/nfs/dbraw/zinc/01/03/92/554010392.db2.gz	SBDYOSGSVZNHBY-SPUZQDLCSA-N	1	1	365.518	2.289	20	30		FEEDMO
C[C@@H](c1nccs1)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1	ZINC000329829072	554013802	/nfs/dbraw/zinc/01/38/02/554013802.db2.gz	JOVAWPUWGWAVRZ-QLFBSQMISA-N	1	1	351.520	2.218	20	30		FEEDMO
CC[C@@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000329830001	554014425	/nfs/dbraw/zinc/01/44/25/554014425.db2.gz	SHYAPMSSGTXASG-IKGGRYGDSA-N	1	1	351.491	2.235	20	30		FEEDMO
O=C(N[C@@H]1CCc2c[nH]nc2C1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000329850702	554019066	/nfs/dbraw/zinc/01/90/66/554019066.db2.gz	SMNVQPJDZQGRQA-QZTJIDSGSA-N	1	1	353.470	2.435	20	30		FEEDMO
N#Cc1ncn(CC[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1	ZINC000507271757	561723237	/nfs/dbraw/zinc/72/32/37/561723237.db2.gz	HUGQVBUSZISPSA-GOSISDBHSA-N	1	1	364.384	2.258	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)C1	ZINC000329902603	554028327	/nfs/dbraw/zinc/02/83/27/554028327.db2.gz	HTFKNDKRKKHJQW-ZHALLVOQSA-N	1	1	353.507	2.148	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC(=O)N(C)C2)C1	ZINC000329912705	554029656	/nfs/dbraw/zinc/02/96/56/554029656.db2.gz	BKMXSBWIBPMJPI-CRAIPNDOSA-N	1	1	358.486	2.153	20	30		FEEDMO
CC(=O)N1CCC[C@H](CNC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1	ZINC000329977556	554042928	/nfs/dbraw/zinc/04/29/28/554042928.db2.gz	ZUFSDSCIQANPGD-KYHPRHEASA-N	1	1	352.523	2.115	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccc2c(c1)OCCO2	ZINC000329986541	554044520	/nfs/dbraw/zinc/04/45/20/554044520.db2.gz	FJUVLQMWTKTASG-UHFFFAOYSA-N	1	1	367.409	2.499	20	30		FEEDMO
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)on1	ZINC000329990142	554044963	/nfs/dbraw/zinc/04/49/63/554044963.db2.gz	VXEFFQSMCYUFAS-QRTARXTBSA-N	1	1	350.438	2.479	20	30		FEEDMO
C[C@H](C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)S(=O)(=O)C1CCOCC1	ZINC000330071980	554059704	/nfs/dbraw/zinc/05/97/04/554059704.db2.gz	JIOGPMCDOAOLFR-QLFBSQMISA-N	1	1	360.520	2.046	20	30		FEEDMO
C[C@H](C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)S(=O)(=O)C1CCOCC1	ZINC000330071980	554059706	/nfs/dbraw/zinc/05/97/06/554059706.db2.gz	JIOGPMCDOAOLFR-QLFBSQMISA-N	1	1	360.520	2.046	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCC3=O)C2)C1	ZINC000330111142	554066820	/nfs/dbraw/zinc/06/68/20/554066820.db2.gz	QZOGGQCDKBCPAZ-BBWFWOEESA-N	1	1	364.534	2.354	20	30		FEEDMO
CN1C[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1=O	ZINC000330121271	554068550	/nfs/dbraw/zinc/06/85/50/554068550.db2.gz	GUBKLIZBZJRQGO-NQIIRXRSSA-N	1	1	370.497	2.119	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(C(=O)C3CC3)CC2)C[C@H]1C	ZINC000330159931	554076273	/nfs/dbraw/zinc/07/62/73/554076273.db2.gz	RLANGHAPAMKYJQ-PBHICJAKSA-N	1	1	350.507	2.106	20	30		FEEDMO
CC[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1	ZINC000330167148	554077362	/nfs/dbraw/zinc/07/73/62/554077362.db2.gz	YRIWABHMQURJPK-DYXWJJEUSA-N	1	1	369.465	2.324	20	30		FEEDMO
CC[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1	ZINC000330167148	554077363	/nfs/dbraw/zinc/07/73/63/554077363.db2.gz	YRIWABHMQURJPK-DYXWJJEUSA-N	1	1	369.465	2.324	20	30		FEEDMO
O=C(NCC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1)c1ccccn1	ZINC000330241244	554091321	/nfs/dbraw/zinc/09/13/21/554091321.db2.gz	WDFJSEZOLCLPTO-GOSISDBHSA-N	1	1	356.470	2.252	20	30		FEEDMO
Cc1nnc([C@@H](C)NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)s1	ZINC000330324245	554105539	/nfs/dbraw/zinc/10/55/39/554105539.db2.gz	UAPOWZBHJQINSA-VXGBXAGGSA-N	1	1	353.492	2.007	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCc2c(nnn2-c2ccccc2)C1	ZINC000330345116	554109124	/nfs/dbraw/zinc/10/91/24/554109124.db2.gz	DTDVUHCFLSUOIN-SJLPKXTDSA-N	1	1	366.469	2.166	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1	ZINC000330416545	554118651	/nfs/dbraw/zinc/11/86/51/554118651.db2.gz	BAVKENBSVFKKGF-IAGOWNOFSA-N	1	1	352.523	2.117	20	30		FEEDMO
COc1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1OC(C)C	ZINC000330580427	554140960	/nfs/dbraw/zinc/14/09/60/554140960.db2.gz	TYBBGODZWAGODW-HUUCEWRRSA-N	1	1	365.474	2.415	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1	ZINC000330928423	554190231	/nfs/dbraw/zinc/19/02/31/554190231.db2.gz	ZERZWSOAMJMQPY-CQSZACIVSA-N	1	1	367.490	2.403	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1	ZINC000330928423	554190233	/nfs/dbraw/zinc/19/02/33/554190233.db2.gz	ZERZWSOAMJMQPY-CQSZACIVSA-N	1	1	367.490	2.403	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CC1	ZINC000330972679	554195490	/nfs/dbraw/zinc/19/54/90/554195490.db2.gz	NFQZIZQIMZGWFA-HUUCEWRRSA-N	1	1	374.451	2.342	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc1	ZINC000508452064	561762524	/nfs/dbraw/zinc/76/25/24/561762524.db2.gz	SGRIFALOELPQOU-UHFFFAOYSA-N	1	1	374.529	2.467	20	30		FEEDMO
COc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)ccc1OC(C)C	ZINC000331005887	554200166	/nfs/dbraw/zinc/20/01/66/554200166.db2.gz	SIRLTARHXKAFNY-OAHLLOKOSA-N	1	1	350.463	2.054	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(NC(=O)NC(C)C)CCCCC2)C1	ZINC000331009824	554200625	/nfs/dbraw/zinc/20/06/25/554200625.db2.gz	RJTUBLQFKSYYHU-MRXNPFEDSA-N	1	1	352.523	2.402	20	30		FEEDMO
CC(=O)Nc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(Cl)c1	ZINC000331026405	554202494	/nfs/dbraw/zinc/20/24/94/554202494.db2.gz	PDCKMNHCOCFAJE-VXGBXAGGSA-N	1	1	368.865	2.231	20	30		FEEDMO
CC(=O)Nc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c(Cl)c1	ZINC000331026405	554202499	/nfs/dbraw/zinc/20/24/99/554202499.db2.gz	PDCKMNHCOCFAJE-VXGBXAGGSA-N	1	1	368.865	2.231	20	30		FEEDMO
Cc1cccc(C[N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1C	ZINC000331124742	554217369	/nfs/dbraw/zinc/21/73/69/554217369.db2.gz	AXRPBBHAWGWJSN-FQEVSTJZSA-N	1	1	356.514	2.428	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C	ZINC000331202958	554230217	/nfs/dbraw/zinc/23/02/17/554230217.db2.gz	XTNPMFIJRDGYGZ-HUUCEWRRSA-N	1	1	360.458	2.278	20	30		FEEDMO
Cc1c(CS(C)(=O)=O)cccc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000331228868	554233446	/nfs/dbraw/zinc/23/34/46/554233446.db2.gz	CGMAJRVAZUZTIL-XJKSGUPXSA-N	1	1	367.515	2.500	20	30		FEEDMO
C=CCn1c(COCC)nnc1N1CC[NH+](CCOc2ccccc2)CC1	ZINC000509010675	561781094	/nfs/dbraw/zinc/78/10/94/561781094.db2.gz	KGLFOYZPDVZTDO-UHFFFAOYSA-N	1	1	371.485	2.202	20	30		FEEDMO
C=CCn1c(C2CC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000508833951	561774517	/nfs/dbraw/zinc/77/45/17/561774517.db2.gz	RHFLQHFRZPGBRO-CALCHBBNSA-N	1	1	358.534	2.336	20	30		FEEDMO
C=CCn1c(-c2cccn2C)nnc1N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1	ZINC000508955796	561779273	/nfs/dbraw/zinc/77/92/73/561779273.db2.gz	JWSMUFXYHYPUNU-INIZCTEOSA-N	1	1	370.501	2.159	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)CC1	ZINC000332649087	554490812	/nfs/dbraw/zinc/49/08/12/554490812.db2.gz	HWQNUXZWVAKTLX-RDJZCZTQSA-N	1	1	360.527	2.360	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2C)CC1	ZINC000332649087	554490816	/nfs/dbraw/zinc/49/08/16/554490816.db2.gz	HWQNUXZWVAKTLX-RDJZCZTQSA-N	1	1	360.527	2.360	20	30		FEEDMO
CC[C@H]1C[N@@H+](CC)CCN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000333953128	554660326	/nfs/dbraw/zinc/66/03/26/554660326.db2.gz	DCJDAIXNXQVMAT-INIZCTEOSA-N	1	1	359.474	2.014	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1=O	ZINC000348456904	554685569	/nfs/dbraw/zinc/68/55/69/554685569.db2.gz	CFGGMYVOGDIYMQ-ROUUACIJSA-N	1	1	357.454	2.164	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1c1nc(-c2ccccc2C[N@H+]2CCC[C@H]2C(N)=O)no1	ZINC000351125613	554838350	/nfs/dbraw/zinc/83/83/50/554838350.db2.gz	XVDKVZZUSDHPJL-IKGGRYGDSA-N	1	1	368.437	2.245	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1c1nc(-c2ccccc2C[N@@H+]2CCC[C@H]2C(N)=O)no1	ZINC000351125613	554838352	/nfs/dbraw/zinc/83/83/52/554838352.db2.gz	XVDKVZZUSDHPJL-IKGGRYGDSA-N	1	1	368.437	2.245	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1	ZINC000362746621	554985899	/nfs/dbraw/zinc/98/58/99/554985899.db2.gz	ACHUXWJFZZCKFW-GOSISDBHSA-N	1	1	366.469	2.422	20	30		FEEDMO
C#CC[N@@H+](C[C@H](O)COC)[C@@H]1CCOc2ccc(Br)cc21	ZINC000362984411	555005379	/nfs/dbraw/zinc/00/53/79/555005379.db2.gz	PUWXIHGRIHPWFS-DZGCQCFKSA-N	1	1	354.244	2.215	20	30		FEEDMO
C#CC[N@H+](C[C@H](O)COC)[C@@H]1CCOc2ccc(Br)cc21	ZINC000362984411	555005381	/nfs/dbraw/zinc/00/53/81/555005381.db2.gz	PUWXIHGRIHPWFS-DZGCQCFKSA-N	1	1	354.244	2.215	20	30		FEEDMO
C=CCc1cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc(OC)c1OC	ZINC000363102122	555030675	/nfs/dbraw/zinc/03/06/75/555030675.db2.gz	ZGSCCNSPZBEKGY-IRXDYDNUSA-N	1	1	360.454	2.025	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CCC[N@H+](CCCOC)CC2)cc1OC	ZINC000363190867	555049819	/nfs/dbraw/zinc/04/98/19/555049819.db2.gz	MVNULMSWWLIKNM-UHFFFAOYSA-N	1	1	362.470	2.444	20	30		FEEDMO
Cc1cc(N2CCC([N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C)CC2)nc(C)n1	ZINC000363349743	555083550	/nfs/dbraw/zinc/08/35/50/555083550.db2.gz	RNYKAGBYCKXEME-FQEVSTJZSA-N	1	1	372.517	2.049	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000511903335	561884718	/nfs/dbraw/zinc/88/47/18/561884718.db2.gz	AFVWHDTVAZCCDD-INIZCTEOSA-N	1	1	373.476	2.403	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1	ZINC000363440709	555106137	/nfs/dbraw/zinc/10/61/37/555106137.db2.gz	CQBNAWYEHSXNRK-QGZVFWFLSA-N	1	1	354.454	2.123	20	30		FEEDMO
CCCc1c(NC(=O)[C@@H]2C[N@H+](CC)CCO2)cnn1-c1cccc(C#N)c1	ZINC000363885028	555206884	/nfs/dbraw/zinc/20/68/84/555206884.db2.gz	CGXJBWGEPZNFKP-IBGZPJMESA-N	1	1	367.453	2.356	20	30		FEEDMO
CCCc1c(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)cnn1-c1cccc(C#N)c1	ZINC000363885028	555206885	/nfs/dbraw/zinc/20/68/85/555206885.db2.gz	CGXJBWGEPZNFKP-IBGZPJMESA-N	1	1	367.453	2.356	20	30		FEEDMO
N#Cc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)ccc1N1CCC(O)CC1	ZINC000364090482	555247560	/nfs/dbraw/zinc/24/75/60/555247560.db2.gz	NIKYQEYHOJGAOZ-AEFFLSMTSA-N	1	1	368.481	2.332	20	30		FEEDMO
COCC[C@@H]1CCCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000364136720	555256580	/nfs/dbraw/zinc/25/65/80/555256580.db2.gz	CQPWJJRKOLRBCC-KRWDZBQOSA-N	1	1	350.484	2.471	20	30		FEEDMO
COCC[C@@H]1CCCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000364136720	555256582	/nfs/dbraw/zinc/25/65/82/555256582.db2.gz	CQPWJJRKOLRBCC-KRWDZBQOSA-N	1	1	350.484	2.471	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)N1CC[NH+](C)CC1	ZINC000512298669	561899065	/nfs/dbraw/zinc/89/90/65/561899065.db2.gz	HPYSMTHSMQBWJT-LJQANCHMSA-N	1	1	372.488	2.117	20	30		FEEDMO
C=CCN(C(=O)NCc1nc(C)no1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364282356	555284008	/nfs/dbraw/zinc/28/40/08/555284008.db2.gz	WLPITSUXROHUHM-KRWDZBQOSA-N	1	1	355.442	2.350	20	30		FEEDMO
COCc1nccc([C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)n1	ZINC000364406236	555307399	/nfs/dbraw/zinc/30/73/99/555307399.db2.gz	RTZCAFNFMUGKPA-IEBWSBKVSA-N	1	1	352.438	2.408	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O	ZINC000364434589	555313558	/nfs/dbraw/zinc/31/35/58/555313558.db2.gz	NNPZYNIIESYWPF-BTYIYWSLSA-N	1	1	366.465	2.313	20	30		FEEDMO
C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000512401398	561903246	/nfs/dbraw/zinc/90/32/46/561903246.db2.gz	YRXVXLBTWHWSJA-NRFANRHFSA-N	1	1	368.525	2.409	20	30		FEEDMO
C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000512401398	561903248	/nfs/dbraw/zinc/90/32/48/561903248.db2.gz	YRXVXLBTWHWSJA-NRFANRHFSA-N	1	1	368.525	2.409	20	30		FEEDMO
CC(C)(C)C(=O)N1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000364595624	555348503	/nfs/dbraw/zinc/34/85/03/555348503.db2.gz	POIDHUDFHDYKKZ-UHFFFAOYSA-N	1	1	356.470	2.467	20	30		FEEDMO
COC(=O)CN1CCC[N@@H+](Cc2cccn2Cc2ccccc2C#N)CC1	ZINC000364847994	555414408	/nfs/dbraw/zinc/41/44/08/555414408.db2.gz	PMOVBDHAGIKCRA-UHFFFAOYSA-N	1	1	366.465	2.089	20	30		FEEDMO
C[C@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)c[nH]1	ZINC000364848937	555415270	/nfs/dbraw/zinc/41/52/70/555415270.db2.gz	GHPNCIUSTKCIFY-BEFAXECRSA-N	1	1	352.438	2.248	20	30		FEEDMO
C[C@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)c[nH]1	ZINC000364848937	555415271	/nfs/dbraw/zinc/41/52/71/555415271.db2.gz	GHPNCIUSTKCIFY-BEFAXECRSA-N	1	1	352.438	2.248	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000512745854	561913897	/nfs/dbraw/zinc/91/38/97/561913897.db2.gz	XBDAJIPYKHBOPL-RDJZCZTQSA-N	1	1	361.511	2.448	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1	ZINC000365253342	555523416	/nfs/dbraw/zinc/52/34/16/555523416.db2.gz	DQAJHMFBAYJJPK-SFHVURJKSA-N	1	1	366.465	2.017	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1	ZINC000365253342	555523417	/nfs/dbraw/zinc/52/34/17/555523417.db2.gz	DQAJHMFBAYJJPK-SFHVURJKSA-N	1	1	366.465	2.017	20	30		FEEDMO
COC(=O)C[C@](C)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(F)c1	ZINC000513127376	561926267	/nfs/dbraw/zinc/92/62/67/561926267.db2.gz	HGVYYAYKLYXDRL-RBUKOAKNSA-N	1	1	361.417	2.002	20	30		FEEDMO
COC(=O)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)o1	ZINC000365396001	555564005	/nfs/dbraw/zinc/56/40/05/555564005.db2.gz	PTMAUDAORPVGPP-UHFFFAOYSA-N	1	1	367.405	2.354	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)NCC1CCN(c2ccccc2C#N)CC1	ZINC000365575525	555612642	/nfs/dbraw/zinc/61/26/42/555612642.db2.gz	MBQWGCZYKDAMKF-SFHVURJKSA-N	1	1	355.486	2.168	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@H]2[C@@H]1c1ccccc1	ZINC000365689702	555641295	/nfs/dbraw/zinc/64/12/95/555641295.db2.gz	AUWJWNVKSBTJBV-RLLQIKCJSA-N	1	1	374.444	2.258	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)C2)n1	ZINC000365751291	555659516	/nfs/dbraw/zinc/65/95/16/555659516.db2.gz	JDYRDCGQVIXOKN-VQIMIIECSA-N	1	1	369.513	2.326	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1	ZINC000365792711	555668630	/nfs/dbraw/zinc/66/86/30/555668630.db2.gz	PDDRGGYYGHCMDM-NVXWUHKLSA-N	1	1	371.485	2.049	20	30		FEEDMO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000366148596	555765041	/nfs/dbraw/zinc/76/50/41/555765041.db2.gz	ZMHDACKQWORXQR-HNNXBMFYSA-N	1	1	371.485	2.186	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1	ZINC000513821413	561951576	/nfs/dbraw/zinc/95/15/76/561951576.db2.gz	IKWGGLVCENYCOL-RTBURBONSA-N	1	1	360.498	2.391	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000366338716	555815630	/nfs/dbraw/zinc/81/56/30/555815630.db2.gz	GCESHXOJQXFLAP-GFCCVEGCSA-N	1	1	358.833	2.467	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000366547369	555873532	/nfs/dbraw/zinc/87/35/32/555873532.db2.gz	ZLDONUOLVIJQSL-BZUAXINKSA-N	1	1	364.490	2.078	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4ccccn4)CC3)C2=O)cc1	ZINC000366788874	555934287	/nfs/dbraw/zinc/93/42/87/555934287.db2.gz	MBEZQEQAJSVUBS-LJQANCHMSA-N	1	1	360.417	2.465	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)N(C)C[C@@H](C)C#N)cc1	ZINC000367139989	556002099	/nfs/dbraw/zinc/00/20/99/556002099.db2.gz	BUPWKOAOLSZOEJ-UONOGXRCSA-N	1	1	361.471	2.168	20	30		FEEDMO
COC(=O)c1ccoc1CC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000367337191	556021624	/nfs/dbraw/zinc/02/16/24/556021624.db2.gz	YCHGYCXIOUVTDX-HXUWFJFHSA-N	1	1	373.453	2.129	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+](Cc3cc4c(cc3Cl)OCCO4)CC2)n1	ZINC000367376400	556032513	/nfs/dbraw/zinc/03/25/13/556032513.db2.gz	AHSSLGSVNDHHNA-UHFFFAOYSA-N	1	1	359.817	2.411	20	30		FEEDMO
CN(CCC#N)c1ccc(CN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)cc1	ZINC000367467115	556057803	/nfs/dbraw/zinc/05/78/03/556057803.db2.gz	IJWPFMHFPARARN-SFTDATJTSA-N	1	1	356.514	2.458	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]2CN2CCC[C@H]2CO)cc1	ZINC000367467115	556057805	/nfs/dbraw/zinc/05/78/05/556057805.db2.gz	IJWPFMHFPARARN-SFTDATJTSA-N	1	1	356.514	2.458	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]2CN2CCC[C@H]2CO)cc1	ZINC000367467115	556057807	/nfs/dbraw/zinc/05/78/07/556057807.db2.gz	IJWPFMHFPARARN-SFTDATJTSA-N	1	1	356.514	2.458	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(OC)c(OC)c2)CC1	ZINC000367523729	556073270	/nfs/dbraw/zinc/07/32/70/556073270.db2.gz	GHWDUXLKYOPSBF-AWEZNQCLSA-N	1	1	373.453	2.193	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(OC)c(OC)c2)CC1	ZINC000367523729	556073271	/nfs/dbraw/zinc/07/32/71/556073271.db2.gz	GHWDUXLKYOPSBF-AWEZNQCLSA-N	1	1	373.453	2.193	20	30		FEEDMO
COCC[N@@H+]([C@H]1CCO[C@@H]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000514838989	561982513	/nfs/dbraw/zinc/98/25/13/561982513.db2.gz	UDCJNTVWYLZFIA-AYOQOUSVSA-N	1	1	357.454	2.179	20	30		FEEDMO
COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCOCC(F)(F)C(F)F)C1	ZINC000367583367	556089418	/nfs/dbraw/zinc/08/94/18/556089418.db2.gz	COXYFGIHVKTYBK-JTQLQIEISA-N	1	1	355.250	2.331	20	30		FEEDMO
COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCOCC(F)(F)C(F)F)C1	ZINC000367583367	556089420	/nfs/dbraw/zinc/08/94/20/556089420.db2.gz	COXYFGIHVKTYBK-JTQLQIEISA-N	1	1	355.250	2.331	20	30		FEEDMO
CCc1nc(C[NH+]2CCC(CNc3nc(C)cc(C#N)n3)CC2)cs1	ZINC000367716071	556122036	/nfs/dbraw/zinc/12/20/36/556122036.db2.gz	NKRPUMDVBAGBCE-UHFFFAOYSA-N	1	1	356.499	3.000	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)C2)c(F)c1	ZINC000367721691	556123183	/nfs/dbraw/zinc/12/31/83/556123183.db2.gz	RFPRSFIPAOOIEP-IAGOWNOFSA-N	1	1	356.445	2.220	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3nccs3)CC2)cc1	ZINC000368762967	556407926	/nfs/dbraw/zinc/40/79/26/556407926.db2.gz	ZISICMPEPLDLQI-UHFFFAOYSA-N	1	1	369.450	2.304	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c(F)c1	ZINC000368884662	556438566	/nfs/dbraw/zinc/43/85/66/556438566.db2.gz	VSDKANBUGWCIRN-IRXDYDNUSA-N	1	1	371.460	2.156	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c(F)c1	ZINC000368884660	556438602	/nfs/dbraw/zinc/43/86/02/556438602.db2.gz	VSDKANBUGWCIRN-DLBZAZTESA-N	1	1	371.460	2.156	20	30		FEEDMO
C[C@]1([C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3Cl)C2)NC(=O)NC1=O	ZINC000368893585	556441010	/nfs/dbraw/zinc/44/10/10/556441010.db2.gz	CNDHXOABSMOMHE-PIGZYNQJSA-N	1	1	364.808	2.161	20	30		FEEDMO
C[C@]1([C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C2)NC(=O)NC1=O	ZINC000368893585	556441012	/nfs/dbraw/zinc/44/10/12/556441012.db2.gz	CNDHXOABSMOMHE-PIGZYNQJSA-N	1	1	364.808	2.161	20	30		FEEDMO
CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4ccc(F)cc4C#N)C[C@@H]3C2)no1	ZINC000368961917	556460358	/nfs/dbraw/zinc/46/03/58/556460358.db2.gz	NUOKYSHZXQTPJE-IYBDPMFKSA-N	1	1	355.417	2.207	20	30		FEEDMO
CCc1nc(CN2C[C@@H]3C[N@H+](Cc4ccc(F)cc4C#N)C[C@@H]3C2)no1	ZINC000368961917	556460360	/nfs/dbraw/zinc/46/03/60/556460360.db2.gz	NUOKYSHZXQTPJE-IYBDPMFKSA-N	1	1	355.417	2.207	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1	ZINC000369013355	556476392	/nfs/dbraw/zinc/47/63/92/556476392.db2.gz	ZIFSIPDQKYRACC-INIZCTEOSA-N	1	1	368.397	2.329	20	30		FEEDMO
COc1ccc([C@@H]2[C@@H](CNS(=O)(=O)CCCC#N)CCC[N@H+]2C)cc1	ZINC000369341720	556574670	/nfs/dbraw/zinc/57/46/70/556574670.db2.gz	GBUUUQUHTLICRB-SJLPKXTDSA-N	1	1	365.499	2.301	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000369392461	556588661	/nfs/dbraw/zinc/58/86/61/556588661.db2.gz	AIEICOMPFPASPT-LJQANCHMSA-N	1	1	372.513	2.173	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCc2sc(C)nc21	ZINC000369556391	556630428	/nfs/dbraw/zinc/63/04/28/556630428.db2.gz	LTZWGUOGMFQYNH-DGCLKSJQSA-N	1	1	350.488	2.204	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NCCc1cccc(C#N)c1	ZINC000369873670	556718366	/nfs/dbraw/zinc/71/83/66/556718366.db2.gz	MOEGGCXBTQMTDH-NSISKUIASA-N	1	1	370.497	2.289	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)N3CCC(C)(C#N)CC3)CC2)nc(C)[nH+]1	ZINC000369926360	556731806	/nfs/dbraw/zinc/73/18/06/556731806.db2.gz	YSWFPZLKSSYJSB-UHFFFAOYSA-N	1	1	356.474	2.398	20	30		FEEDMO
CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)N(CCC#N)CC2CC2)C1	ZINC000369930389	556733898	/nfs/dbraw/zinc/73/38/98/556733898.db2.gz	MDBPVKRRJUBJFO-UHFFFAOYSA-N	1	1	354.454	2.155	20	30		FEEDMO
C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000369958339	556741642	/nfs/dbraw/zinc/74/16/42/556741642.db2.gz	LDIGBKQXOFVZHK-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000369958339	556741644	/nfs/dbraw/zinc/74/16/44/556741644.db2.gz	LDIGBKQXOFVZHK-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c(C)c1	ZINC000370123932	556786924	/nfs/dbraw/zinc/78/69/24/556786924.db2.gz	UFMWPNMCXUSDLS-OAHLLOKOSA-N	1	1	352.442	2.431	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H](N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)C1=O	ZINC000370236648	556818576	/nfs/dbraw/zinc/81/85/76/556818576.db2.gz	SXLOBHNUWGUWMO-NXOAAHMSSA-N	1	1	356.495	2.141	20	30		FEEDMO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1	ZINC000516719375	562055659	/nfs/dbraw/zinc/05/56/59/562055659.db2.gz	UVQROPRDQVKTBE-SOLBZPMBSA-N	1	1	369.517	2.421	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O	ZINC000370406489	556863180	/nfs/dbraw/zinc/86/31/80/556863180.db2.gz	NAIMLEDDNVUBEH-DYESRHJHSA-N	1	1	368.481	2.266	20	30		FEEDMO
N#CCOc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000370539491	556903269	/nfs/dbraw/zinc/90/32/69/556903269.db2.gz	MKQDJJACOZBPKU-HHNWVZKSSA-N	1	1	369.465	2.362	20	30		FEEDMO
CN(C(=O)CSc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000370819554	556978481	/nfs/dbraw/zinc/97/84/81/556978481.db2.gz	LCILMJXPQIDPGS-GOSISDBHSA-N	1	1	372.538	2.277	20	30		FEEDMO
CN(C(=O)CSc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000370819554	556978482	/nfs/dbraw/zinc/97/84/82/556978482.db2.gz	LCILMJXPQIDPGS-GOSISDBHSA-N	1	1	372.538	2.277	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C#N	ZINC000370910043	557011544	/nfs/dbraw/zinc/01/15/44/557011544.db2.gz	YTFFKVPCQDDSSY-IAGOWNOFSA-N	1	1	358.442	2.330	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(CC#N)c2)CC1=O	ZINC000517014118	562071071	/nfs/dbraw/zinc/07/10/71/562071071.db2.gz	IVUINMMPQUUSMJ-WMZOPIPTSA-N	1	1	354.454	2.024	20	30		FEEDMO
C=CCN(C(=O)c1ccc(C(N)=O)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000371590451	557232166	/nfs/dbraw/zinc/23/21/66/557232166.db2.gz	NKRMTDIVFNSRFW-GOSISDBHSA-N	1	1	364.449	2.083	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO	ZINC000371609049	557238890	/nfs/dbraw/zinc/23/88/90/557238890.db2.gz	UGQVQQDIRFXXFH-BRWVUGGUSA-N	1	1	372.469	2.430	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](OCc2csc(C)n2)C1	ZINC000372282242	557429291	/nfs/dbraw/zinc/42/92/91/557429291.db2.gz	LYSOWKVSQFNQEV-BBRMVZONSA-N	1	1	350.488	2.051	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](OCc2csc(C)n2)C1	ZINC000372282242	557429293	/nfs/dbraw/zinc/42/92/93/557429293.db2.gz	LYSOWKVSQFNQEV-BBRMVZONSA-N	1	1	350.488	2.051	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3CCOC(=O)[C@@H]32)sc2c1CCCC2	ZINC000372357072	557448878	/nfs/dbraw/zinc/44/88/78/557448878.db2.gz	OTTXMEURNZXDLR-SJKOYZFVSA-N	1	1	373.478	2.465	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3CCOC(=O)[C@@H]32)sc2c1CCCC2	ZINC000372357072	557448880	/nfs/dbraw/zinc/44/88/80/557448880.db2.gz	OTTXMEURNZXDLR-SJKOYZFVSA-N	1	1	373.478	2.465	20	30		FEEDMO
N#Cc1ccc(C2=CCN(C(=O)NCCC[NH+]3CCOCC3)CC2)cc1	ZINC000372443352	557472218	/nfs/dbraw/zinc/47/22/18/557472218.db2.gz	MFIUENLJQFIAHC-UHFFFAOYSA-N	1	1	354.454	2.079	20	30		FEEDMO
C=CCN(C(=O)NCCc1cnccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372487061	557483961	/nfs/dbraw/zinc/48/39/61/557483961.db2.gz	MKOJTYRDUKWNIL-HXUWFJFHSA-N	1	1	365.481	2.491	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1	ZINC000372525794	557493407	/nfs/dbraw/zinc/49/34/07/557493407.db2.gz	YDLVFCFYLQNBPD-KPFFTGBYSA-N	1	1	357.502	2.014	20	30		FEEDMO
O=C1NCCN1[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000372768833	557558897	/nfs/dbraw/zinc/55/88/97/557558897.db2.gz	WQVSHGQUTFFHPL-OAHLLOKOSA-N	1	1	367.371	2.426	20	30		FEEDMO
O=C1NCCN1[C@@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000372768833	557558900	/nfs/dbraw/zinc/55/89/00/557558900.db2.gz	WQVSHGQUTFFHPL-OAHLLOKOSA-N	1	1	367.371	2.426	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCn2c(nnc2-c2cccnc2)C1	ZINC000372780249	557561184	/nfs/dbraw/zinc/56/11/84/557561184.db2.gz	JXMQPHUHVBCCLT-UHFFFAOYSA-N	1	1	373.420	2.056	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCn2c(nnc2-c2cccnc2)C1	ZINC000372780249	557561185	/nfs/dbraw/zinc/56/11/85/557561185.db2.gz	JXMQPHUHVBCCLT-UHFFFAOYSA-N	1	1	373.420	2.056	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000372948021	557594634	/nfs/dbraw/zinc/59/46/34/557594634.db2.gz	BFQVKYYIJBYKQD-OAGGEKHMSA-N	1	1	364.490	2.078	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000372948021	557594636	/nfs/dbraw/zinc/59/46/36/557594636.db2.gz	BFQVKYYIJBYKQD-OAGGEKHMSA-N	1	1	364.490	2.078	20	30		FEEDMO
CC[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc2c(c1)OCO2	ZINC000520172887	562149914	/nfs/dbraw/zinc/14/99/14/562149914.db2.gz	NAGYKVDPYANLPN-UHFFFAOYSA-N	1	1	351.406	2.425	20	30		FEEDMO
CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc2c(c1)OCO2	ZINC000520172887	562149915	/nfs/dbraw/zinc/14/99/15/562149915.db2.gz	NAGYKVDPYANLPN-UHFFFAOYSA-N	1	1	351.406	2.425	20	30		FEEDMO
COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373399510	557686872	/nfs/dbraw/zinc/68/68/72/557686872.db2.gz	LXLXPRYTOSNDAL-CQSZACIVSA-N	1	1	368.441	2.131	20	30		FEEDMO
COc1ccnc(N2CCC[N@@H+](Cc3ccc(C#N)c(OC)c3)CC2)n1	ZINC000374208238	557843466	/nfs/dbraw/zinc/84/34/66/557843466.db2.gz	YKHSIRNHWPCZJH-UHFFFAOYSA-N	1	1	353.426	2.078	20	30		FEEDMO
Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cn1	ZINC000374259175	557853399	/nfs/dbraw/zinc/85/33/99/557853399.db2.gz	ZKJJGIXCAZLHPO-FUHWJXTLSA-N	1	1	350.426	2.028	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](C(=O)N4CCCCC4)C3)n2c1	ZINC000374306836	557862974	/nfs/dbraw/zinc/86/29/74/557862974.db2.gz	BGZUDLKDDNBQFL-KRWDZBQOSA-N	1	1	351.454	2.430	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](C(=O)N4CCCCC4)C3)n2c1	ZINC000374306838	557863024	/nfs/dbraw/zinc/86/30/24/557863024.db2.gz	BGZUDLKDDNBQFL-QGZVFWFLSA-N	1	1	351.454	2.430	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000374587958	557903165	/nfs/dbraw/zinc/90/31/65/557903165.db2.gz	YKVTVWCOLWYRDP-ZACQAIPSSA-N	1	1	356.536	2.052	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCCOC(F)F)CC2)cc1	ZINC000374892940	557946955	/nfs/dbraw/zinc/94/69/55/557946955.db2.gz	HEGZYNDUUAQIAX-UHFFFAOYSA-N	1	1	366.412	2.405	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN2CC[C@H]3CC[N@@H+](C)[C@H]3C2)c(OC)c1	ZINC000375028310	557966557	/nfs/dbraw/zinc/96/65/57/557966557.db2.gz	CFOVCQMEYJXRGQ-QRVBRYPASA-N	1	1	360.498	2.189	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c(Cl)c1	ZINC000375107077	557978947	/nfs/dbraw/zinc/97/89/47/557978947.db2.gz	WZMJVCVVEGFRJZ-UHFFFAOYSA-N	1	1	350.831	2.223	20	30		FEEDMO
C(#CC[N@H+]1CCC[C@@H](n2cccn2)C1)CN1CCC[C@@H](n2cccn2)C1	ZINC000375386546	558019153	/nfs/dbraw/zinc/01/91/53/558019153.db2.gz	IQQNJXLYWCWPFO-WOJBJXKFSA-N	1	1	352.486	2.057	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C	ZINC000375396136	558020496	/nfs/dbraw/zinc/02/04/96/558020496.db2.gz	CBPZIILYAKYSSZ-GJZGRUSLSA-N	1	1	370.469	2.028	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C	ZINC000375396136	558020498	/nfs/dbraw/zinc/02/04/98/558020498.db2.gz	CBPZIILYAKYSSZ-GJZGRUSLSA-N	1	1	370.469	2.028	20	30		FEEDMO
COc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1C#N	ZINC000375755650	558077737	/nfs/dbraw/zinc/07/77/37/558077737.db2.gz	GZPVUPAIJUFLEZ-MSOLQXFVSA-N	1	1	373.453	2.436	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1C#N	ZINC000375755650	558077739	/nfs/dbraw/zinc/07/77/39/558077739.db2.gz	GZPVUPAIJUFLEZ-MSOLQXFVSA-N	1	1	373.453	2.436	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1	ZINC000375761226	558078785	/nfs/dbraw/zinc/07/87/85/558078785.db2.gz	HEHXAXSQJIWKNI-QZTJIDSGSA-N	1	1	373.453	2.436	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1	ZINC000375761226	558078786	/nfs/dbraw/zinc/07/87/86/558078786.db2.gz	HEHXAXSQJIWKNI-QZTJIDSGSA-N	1	1	373.453	2.436	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1	ZINC000375761236	558078850	/nfs/dbraw/zinc/07/88/50/558078850.db2.gz	VKOUOHODQMOEHB-MSOLQXFVSA-N	1	1	373.453	2.436	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1	ZINC000375761236	558078851	/nfs/dbraw/zinc/07/88/51/558078851.db2.gz	VKOUOHODQMOEHB-MSOLQXFVSA-N	1	1	373.453	2.436	20	30		FEEDMO
N#Cc1ncn(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1	ZINC000376122236	558129694	/nfs/dbraw/zinc/12/96/94/558129694.db2.gz	GHWOMCYEVHSMCF-VAMGGRTRSA-N	1	1	364.497	2.430	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1Nc1cc(N)c([N+](=O)[O-])c(C#N)c1	ZINC000376175336	558136984	/nfs/dbraw/zinc/13/69/84/558136984.db2.gz	VYONAFTYOKXECS-SRCQZFHVSA-N	1	1	359.430	2.350	20	30		FEEDMO
Cc1oc(NC(=O)C[N@H+](C)C2CCN(c3cccnn3)CC2)c(C#N)c1C	ZINC000376528759	558185882	/nfs/dbraw/zinc/18/58/82/558185882.db2.gz	RQLJMHBXEHBIHY-UHFFFAOYSA-N	1	1	368.441	2.097	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000378459544	558562707	/nfs/dbraw/zinc/56/27/07/558562707.db2.gz	UAQWJEUSAZPSTG-JTDSTZFVSA-N	1	1	358.461	2.487	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@](O)(c4ccc(F)cc4)C3)C2=O)cc1	ZINC000378514611	558572886	/nfs/dbraw/zinc/57/28/86/558572886.db2.gz	FZVSPBCWDQCMEP-TZIWHRDSSA-N	1	1	365.408	2.396	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@](O)(c4ccc(F)cc4)C3)C2=O)cc1	ZINC000378514611	558572888	/nfs/dbraw/zinc/57/28/88/558572888.db2.gz	FZVSPBCWDQCMEP-TZIWHRDSSA-N	1	1	365.408	2.396	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1	ZINC000378645402	558599976	/nfs/dbraw/zinc/59/99/76/558599976.db2.gz	BDUDAHMZXQFZMU-IBGZPJMESA-N	1	1	353.397	2.467	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1	ZINC000378645402	558599978	/nfs/dbraw/zinc/59/99/78/558599978.db2.gz	BDUDAHMZXQFZMU-IBGZPJMESA-N	1	1	353.397	2.467	20	30		FEEDMO
CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1cccnc1C#N	ZINC000398113048	558626133	/nfs/dbraw/zinc/62/61/33/558626133.db2.gz	ZDLJSZFOWSQJOL-SFHVURJKSA-N	1	1	372.494	2.388	20	30		FEEDMO
CC1CC(C#N)(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1	ZINC000404191794	558631228	/nfs/dbraw/zinc/63/12/28/558631228.db2.gz	NRTRXGYHQNUTBW-HLZCYKFHSA-N	1	1	353.466	2.428	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1	ZINC000409483047	558695950	/nfs/dbraw/zinc/69/59/50/558695950.db2.gz	HWINPFAVVQWHKE-UHFFFAOYSA-N	1	1	370.563	2.301	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1	ZINC000409492497	558697084	/nfs/dbraw/zinc/69/70/84/558697084.db2.gz	WFHJBMFQCDCGHC-QGZVFWFLSA-N	1	1	370.563	2.443	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC[N@H+]1Cc1ccccc1	ZINC000409901393	558726046	/nfs/dbraw/zinc/72/60/46/558726046.db2.gz	NHHIZIUQVWUYCU-SJLPKXTDSA-N	1	1	366.469	2.224	20	30		FEEDMO
CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)N(CC)C[C@@H](C)C#N)C1	ZINC000410130633	558740789	/nfs/dbraw/zinc/74/07/89/558740789.db2.gz	MTTUMODGUQBYGU-HOTGVXAUSA-N	1	1	358.552	2.203	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1	ZINC000410474448	558764869	/nfs/dbraw/zinc/76/48/69/558764869.db2.gz	KVLRMKKQGFADLK-UHFFFAOYSA-N	1	1	357.498	2.392	20	30		FEEDMO
C[N@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000411662091	558938063	/nfs/dbraw/zinc/93/80/63/558938063.db2.gz	BETAAZLOIOJDHI-OAHLLOKOSA-N	1	1	356.470	2.274	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1c[nH]c(C#N)c1	ZINC000412679433	559050182	/nfs/dbraw/zinc/05/01/82/559050182.db2.gz	WULLMCWYEHAMBR-IEBWSBKVSA-N	1	1	352.438	2.153	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000526056953	562265362	/nfs/dbraw/zinc/26/53/62/562265362.db2.gz	AYDXMBQTLMTTDB-OAHLLOKOSA-N	1	1	369.469	2.223	20	30		FEEDMO
COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1	ZINC000526085567	562266388	/nfs/dbraw/zinc/26/63/88/562266388.db2.gz	URIHCUYPUMJJDU-UHFFFAOYSA-N	1	1	372.469	2.084	20	30		FEEDMO
COC(=O)[C@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@@H+](C)C1	ZINC000413588336	559118477	/nfs/dbraw/zinc/11/84/77/559118477.db2.gz	XSFBUFSUBVSDAR-MSOLQXFVSA-N	1	1	372.469	2.168	20	30		FEEDMO
COc1cc(N[C@@H]2CCC[N@H+](CC(=O)NC3(C#N)CCC3)C2)cc(OC)c1	ZINC000526135852	562267999	/nfs/dbraw/zinc/26/79/99/562267999.db2.gz	IWFFEIGMGSXYRI-OAHLLOKOSA-N	1	1	372.469	2.143	20	30		FEEDMO
COc1cc(N[C@@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)cc(OC)c1	ZINC000526135852	562268000	/nfs/dbraw/zinc/26/80/00/562268000.db2.gz	IWFFEIGMGSXYRI-OAHLLOKOSA-N	1	1	372.469	2.143	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)NC1(C#N)CCC1	ZINC000527049619	562274571	/nfs/dbraw/zinc/27/45/71/562274571.db2.gz	GCTCEYZGDRJNKR-YRWFTTLQSA-N	1	1	354.498	2.295	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)CC1	ZINC000416383067	559308942	/nfs/dbraw/zinc/30/89/42/559308942.db2.gz	GEGOIOJARDSVQM-UHFFFAOYSA-N	1	1	353.444	2.140	20	30		FEEDMO
COCC(COC)[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000416763928	559331763	/nfs/dbraw/zinc/33/17/63/559331763.db2.gz	QQNFUEOIWXOUIF-UHFFFAOYSA-N	1	1	374.485	2.299	20	30		FEEDMO
CCC([NH3+])(CC)CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000418445196	559401904	/nfs/dbraw/zinc/40/19/04/559401904.db2.gz	XREKLWIAZCHSSA-UHFFFAOYSA-N	1	1	357.502	2.293	20	30		FEEDMO
C=CCC[C@H]1NC(=O)N(Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1=O	ZINC000419950253	559465994	/nfs/dbraw/zinc/46/59/94/559465994.db2.gz	MBNYUCVLYPLLLO-CRAIPNDOSA-N	1	1	357.454	2.294	20	30		FEEDMO
C=CCC[C@H]1NC(=O)N(Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1=O	ZINC000419950253	559465995	/nfs/dbraw/zinc/46/59/95/559465995.db2.gz	MBNYUCVLYPLLLO-CRAIPNDOSA-N	1	1	357.454	2.294	20	30		FEEDMO
CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC[N@H+]1C	ZINC000420996225	559518492	/nfs/dbraw/zinc/51/84/92/559518492.db2.gz	FRBXDTYXBLPIBF-QGZVFWFLSA-N	1	1	367.415	2.199	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C[C@H]3CCC[N@H+]3C)C2)n1	ZINC000421715134	559550718	/nfs/dbraw/zinc/55/07/18/559550718.db2.gz	XBQXIASXWNAOMY-QZTJIDSGSA-N	1	1	355.486	2.031	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000422071211	559563661	/nfs/dbraw/zinc/56/36/61/559563661.db2.gz	MGVISYPJBIYUDN-QRVBRYPASA-N	1	1	355.482	2.033	20	30		FEEDMO
CCN1CC[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H]1c1ncc[nH]1	ZINC000527317927	562285192	/nfs/dbraw/zinc/28/51/92/562285192.db2.gz	PUQCKLPSIKVDSQ-CQSZACIVSA-N	1	1	358.471	2.050	20	30		FEEDMO
CCN1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H]1c1ncc[nH]1	ZINC000527317927	562285193	/nfs/dbraw/zinc/28/51/93/562285193.db2.gz	PUQCKLPSIKVDSQ-CQSZACIVSA-N	1	1	358.471	2.050	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C	ZINC000425864548	559723263	/nfs/dbraw/zinc/72/32/63/559723263.db2.gz	NOTJWIBUUZZXDK-YOEHRIQHSA-N	1	1	368.437	2.090	20	30		FEEDMO
C=CCCCS(=O)(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000427756168	559761524	/nfs/dbraw/zinc/76/15/24/559761524.db2.gz	HEPHATTWMRZMFA-MRXNPFEDSA-N	1	1	365.499	2.092	20	30		FEEDMO
COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000428776147	559783012	/nfs/dbraw/zinc/78/30/12/559783012.db2.gz	CNRGCHOHFQEODH-NRFANRHFSA-N	1	1	363.417	2.313	20	30		FEEDMO
COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000428776147	559783013	/nfs/dbraw/zinc/78/30/13/559783013.db2.gz	CNRGCHOHFQEODH-NRFANRHFSA-N	1	1	363.417	2.313	20	30		FEEDMO
Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000428779710	559783088	/nfs/dbraw/zinc/78/30/88/559783088.db2.gz	CZXNRRVNRRKMHB-MOPGFXCFSA-N	1	1	367.449	2.463	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](CCC(=O)NCC3CCCCC3)C2)nc1	ZINC000428782493	559783177	/nfs/dbraw/zinc/78/31/77/559783177.db2.gz	GVLXMOGPQZXUIC-GOSISDBHSA-N	1	1	356.470	2.493	20	30		FEEDMO
COC(=O)[C@]1(c2ccccc2)CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000428803043	559783747	/nfs/dbraw/zinc/78/37/47/559783747.db2.gz	IFPHOSQVGNLLHL-MAODMQOUSA-N	1	1	371.481	2.246	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1	ZINC000430280762	559816987	/nfs/dbraw/zinc/81/69/87/559816987.db2.gz	QMIJTXZTVOQOCK-AUUYWEPGSA-N	1	1	374.510	2.335	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1	ZINC000430280762	559816988	/nfs/dbraw/zinc/81/69/88/559816988.db2.gz	QMIJTXZTVOQOCK-AUUYWEPGSA-N	1	1	374.510	2.335	20	30		FEEDMO
C[C@H](C[NH+]1CCOCC1)N(C)Cc1ccc(C#N)cc1Br	ZINC000434712438	559907399	/nfs/dbraw/zinc/90/73/99/559907399.db2.gz	BXIRTCHOQRKVGP-CYBMUJFWSA-N	1	1	352.276	2.473	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H]1C	ZINC000434807340	559909867	/nfs/dbraw/zinc/90/98/67/559909867.db2.gz	DZIFKJAUADNXRI-GDBMZVCRSA-N	1	1	373.501	2.384	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCSC[C@H]2CCO)c(-c2ccncc2)n1	ZINC000435125212	559916726	/nfs/dbraw/zinc/91/67/26/559916726.db2.gz	DEJBNEGDEYDRES-QGZVFWFLSA-N	1	1	357.483	2.159	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000436260745	559938788	/nfs/dbraw/zinc/93/87/88/559938788.db2.gz	IKIVGSKAYGACSD-TYPHKJRUSA-N	1	1	369.509	2.161	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000436260745	559938789	/nfs/dbraw/zinc/93/87/89/559938789.db2.gz	IKIVGSKAYGACSD-TYPHKJRUSA-N	1	1	369.509	2.161	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000437881955	559971159	/nfs/dbraw/zinc/97/11/59/559971159.db2.gz	NMWDHUWOTSOMAX-DLBZAZTESA-N	1	1	363.483	2.174	20	30		FEEDMO
CCCCOC1CC[NH+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1	ZINC000438816289	559984063	/nfs/dbraw/zinc/98/40/63/559984063.db2.gz	BPIQLFUSRYZPHK-SFHVURJKSA-N	1	1	355.438	2.471	20	30		FEEDMO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCC(=O)Nc1cccc(C#N)c1	ZINC000441250368	560027261	/nfs/dbraw/zinc/02/72/61/560027261.db2.gz	QIQXFDWTIHSMKZ-QRVBRYPASA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000442107056	560044050	/nfs/dbraw/zinc/04/40/50/560044050.db2.gz	DEUMHPLINFQBRF-MJBXVCDLSA-N	1	1	353.463	2.342	20	30		FEEDMO
C[C@@H]1C[N@H+](C)C[C@H](C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)O1	ZINC000527542160	562291878	/nfs/dbraw/zinc/29/18/78/562291878.db2.gz	LGCLQDKSEUYTIV-QMTHXVAHSA-N	1	1	357.332	2.157	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)C[C@H](C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)O1	ZINC000527542160	562291879	/nfs/dbraw/zinc/29/18/79/562291879.db2.gz	LGCLQDKSEUYTIV-QMTHXVAHSA-N	1	1	357.332	2.157	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)CN1CCC(CCC[NH+]2CCCC2)CC1	ZINC000443600031	560088135	/nfs/dbraw/zinc/08/81/35/560088135.db2.gz	KVKKCJAYQHUQLD-UHFFFAOYSA-N	1	1	359.518	2.230	20	30		FEEDMO
CC1(C)CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C#N	ZINC000444735091	560119211	/nfs/dbraw/zinc/11/92/11/560119211.db2.gz	SXUVESKMQOZENW-LJQANCHMSA-N	1	1	354.498	2.345	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000448677062	560193639	/nfs/dbraw/zinc/19/36/39/560193639.db2.gz	KZHMCXGXYOYBOI-AABGKKOBSA-N	1	1	357.498	2.073	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1	ZINC000448677062	560193641	/nfs/dbraw/zinc/19/36/41/560193641.db2.gz	KZHMCXGXYOYBOI-AABGKKOBSA-N	1	1	357.498	2.073	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000448677062	560193643	/nfs/dbraw/zinc/19/36/43/560193643.db2.gz	KZHMCXGXYOYBOI-AABGKKOBSA-N	1	1	357.498	2.073	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000448698325	560194812	/nfs/dbraw/zinc/19/48/12/560194812.db2.gz	PIEARINAMBZCKV-OAHLLOKOSA-N	1	1	351.454	2.135	20	30		FEEDMO
CN(C[C@H]1CC[N@@H+](C)C1)C(=O)COc1ccc(C#N)c(Br)c1	ZINC000449843772	560242372	/nfs/dbraw/zinc/24/23/72/560242372.db2.gz	SLWQUSFQBXZVIA-LBPRGKRZSA-N	1	1	366.259	2.110	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000449913956	560245150	/nfs/dbraw/zinc/24/51/50/560245150.db2.gz	OUKUWJWMYZMXJT-UHFFFAOYSA-N	1	1	351.454	2.089	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)n1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000450127845	560251488	/nfs/dbraw/zinc/25/14/88/560251488.db2.gz	GFTYFPYFPNJCLI-QUCCMNQESA-N	1	1	366.465	2.306	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)n1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000450127845	560251489	/nfs/dbraw/zinc/25/14/89/560251489.db2.gz	GFTYFPYFPNJCLI-QUCCMNQESA-N	1	1	366.465	2.306	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNc2ncc(Br)cc2C#N)C1	ZINC000450224142	560254510	/nfs/dbraw/zinc/25/45/10/560254510.db2.gz	SIGOMAFDLNDERN-CQSZACIVSA-N	1	1	353.264	2.484	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCNc2ncc(Br)cc2C#N)C[C@H](C)O1	ZINC000450240751	560255329	/nfs/dbraw/zinc/25/53/29/560255329.db2.gz	HDFXWPFBZUVCKK-TXEJJXNPSA-N	1	1	353.264	2.627	20	30		FEEDMO
C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000450480660	560263702	/nfs/dbraw/zinc/26/37/02/560263702.db2.gz	BWQLYKFMWIDODR-MDZRGWNJSA-N	1	1	351.454	2.023	20	30		FEEDMO
C[N@@H+](CCN1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)Cc1ccccc1	ZINC000450611917	560268038	/nfs/dbraw/zinc/26/80/38/560268038.db2.gz	JMCHPDGGDHKCGZ-GCJKJVERSA-N	1	1	360.461	2.464	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1	ZINC000451026984	560283182	/nfs/dbraw/zinc/28/31/82/560283182.db2.gz	MCDGWSMRSFJSOE-DLBZAZTESA-N	1	1	360.502	2.414	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1	ZINC000451026601	560283237	/nfs/dbraw/zinc/28/32/37/560283237.db2.gz	LOSHBMGBVPZVSZ-SJORKVTESA-N	1	1	358.486	2.190	20	30		FEEDMO
N#CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)c1	ZINC000451052899	560284824	/nfs/dbraw/zinc/28/48/24/560284824.db2.gz	FZOWOMWWGPSLBJ-LSDHHAIUSA-N	1	1	353.875	2.311	20	30		FEEDMO
Cc1ccc([C@H](CNS(=O)(=O)CC2(CC#N)CC2)[NH+]2CCCC2)o1	ZINC000451155511	560290218	/nfs/dbraw/zinc/29/02/18/560290218.db2.gz	PLOPCAUKHPBQDD-HNNXBMFYSA-N	1	1	351.472	2.338	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)[C@H]2C1	ZINC000451382676	560303738	/nfs/dbraw/zinc/30/37/38/560303738.db2.gz	ITABEZXUSLFEGR-HIFRSBDPSA-N	1	1	353.875	2.121	20	30		FEEDMO
CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C	ZINC000451561615	560314947	/nfs/dbraw/zinc/31/49/47/560314947.db2.gz	JAIRKPSLZXQYNB-PBHICJAKSA-N	1	1	353.426	2.039	20	30		FEEDMO
CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C	ZINC000451561615	560314948	/nfs/dbraw/zinc/31/49/48/560314948.db2.gz	JAIRKPSLZXQYNB-PBHICJAKSA-N	1	1	353.426	2.039	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)C2)C1	ZINC000451575917	560315727	/nfs/dbraw/zinc/31/57/27/560315727.db2.gz	UFJNOMBLYWPSFN-MRXNPFEDSA-N	1	1	353.875	2.122	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1	ZINC000451798905	560329141	/nfs/dbraw/zinc/32/91/41/560329141.db2.gz	VGQUHMDAZOGWAM-MRXNPFEDSA-N	1	1	364.515	2.109	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](CCCO)C2)cc1	ZINC000452128679	560353026	/nfs/dbraw/zinc/35/30/26/560353026.db2.gz	MKNAANCIEOBVMM-QGZVFWFLSA-N	1	1	359.470	2.426	20	30		FEEDMO
C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1	ZINC000453413469	560386145	/nfs/dbraw/zinc/38/61/45/560386145.db2.gz	KMXAQPUJKFTCES-BBWFWOEESA-N	1	1	363.506	2.251	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1	ZINC000453472078	560387515	/nfs/dbraw/zinc/38/75/15/560387515.db2.gz	VTJUPCWBKAQJCL-IKGGRYGDSA-N	1	1	363.506	2.251	20	30		FEEDMO
C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(CC#N)c2)[C@@H]1c1ccccc1	ZINC000453686228	560396637	/nfs/dbraw/zinc/39/66/37/560396637.db2.gz	DNEKUUKQKZYBLM-MOPGFXCFSA-N	1	1	362.433	2.253	20	30		FEEDMO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@H]2CCc3nc[nH]c3C2)s1	ZINC000453760490	560402217	/nfs/dbraw/zinc/40/22/17/560402217.db2.gz	KIWDPKPZSHZUGA-NSHDSACASA-N	1	1	371.466	2.253	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@H](C)[N@@H+]1C	ZINC000455100460	560470204	/nfs/dbraw/zinc/47/02/04/560470204.db2.gz	GUCVFEKXUWIAIY-BETUJISGSA-N	1	1	372.860	2.954	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2ccc(C#N)c(F)c2)C[C@H](C)O1	ZINC000455553328	560486910	/nfs/dbraw/zinc/48/69/10/560486910.db2.gz	ZUGSCWKCEDDRLJ-OKILXGFUSA-N	1	1	362.449	2.384	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C#N)c(F)c2)C[C@H](C)O1	ZINC000455553328	560486911	/nfs/dbraw/zinc/48/69/11/560486911.db2.gz	ZUGSCWKCEDDRLJ-OKILXGFUSA-N	1	1	362.449	2.384	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1	ZINC000455958729	560502094	/nfs/dbraw/zinc/50/20/94/560502094.db2.gz	SNPZGMARLFTURA-HXUWFJFHSA-N	1	1	364.449	2.407	20	30		FEEDMO
CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000456393328	560519032	/nfs/dbraw/zinc/51/90/32/560519032.db2.gz	XVVUIMJQICMJMD-RTBURBONSA-N	1	1	369.513	2.421	20	30		FEEDMO
C=CCC[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)C(=O)OCC	ZINC000456600945	560525535	/nfs/dbraw/zinc/52/55/35/560525535.db2.gz	FONJUFOPLDPRPC-RBUKOAKNSA-N	1	1	374.481	2.199	20	30		FEEDMO
C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cn(CCCC#N)c2ccccc12	ZINC000457110733	560549707	/nfs/dbraw/zinc/54/97/07/560549707.db2.gz	ZDQOHXNXRYRZKJ-MRXNPFEDSA-N	1	1	354.454	2.084	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cn(CCCC#N)c2ccccc12	ZINC000457110733	560549708	/nfs/dbraw/zinc/54/97/08/560549708.db2.gz	ZDQOHXNXRYRZKJ-MRXNPFEDSA-N	1	1	354.454	2.084	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1	ZINC000458382765	560619106	/nfs/dbraw/zinc/61/91/06/560619106.db2.gz	KKEQUAQMEMYOLE-KRWDZBQOSA-N	1	1	364.490	2.130	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1	ZINC000459348825	560681463	/nfs/dbraw/zinc/68/14/63/560681463.db2.gz	NBFVCTOAJBKFKR-KRWDZBQOSA-N	1	1	357.458	2.068	20	30		FEEDMO
CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000459581307	560695919	/nfs/dbraw/zinc/69/59/19/560695919.db2.gz	KVISBJUYWVODTI-HXUWFJFHSA-N	1	1	357.454	2.228	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[NH+]([C@@H](C)CC)CC1	ZINC000460028710	560730129	/nfs/dbraw/zinc/73/01/29/560730129.db2.gz	JXEDVMBWWWHXMP-KRWDZBQOSA-N	1	1	373.497	2.153	20	30		FEEDMO
CC(C)[C@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000461721834	560780284	/nfs/dbraw/zinc/78/02/84/560780284.db2.gz	AFNTWQYJLXPHJC-GQIGUUNPSA-N	1	1	371.481	2.282	20	30		FEEDMO
CC(C)[C@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000461721834	560780285	/nfs/dbraw/zinc/78/02/85/560780285.db2.gz	AFNTWQYJLXPHJC-GQIGUUNPSA-N	1	1	371.481	2.282	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](c1ccccc1)[NH+](C)C	ZINC000461726683	560780417	/nfs/dbraw/zinc/78/04/17/560780417.db2.gz	KZBFQDXDNWXHKM-SFHVURJKSA-N	1	1	360.421	2.689	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@H]3C#N)C2)cc(OC)c1	ZINC000461945061	560789033	/nfs/dbraw/zinc/78/90/33/560789033.db2.gz	BUVTUSNVXXORTA-TXPKVOOTSA-N	1	1	372.469	2.270	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@H]3C#N)C2)cc(OC)c1	ZINC000461945061	560789035	/nfs/dbraw/zinc/78/90/35/560789035.db2.gz	BUVTUSNVXXORTA-TXPKVOOTSA-N	1	1	372.469	2.270	20	30		FEEDMO
C[C@@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cccc(C#N)c1	ZINC000462265318	560803501	/nfs/dbraw/zinc/80/35/01/560803501.db2.gz	HPWSJYROOWFNMA-ZEDDUWKQSA-N	1	1	366.509	2.431	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](n3cccn3)C2)cc1	ZINC000463444018	560815093	/nfs/dbraw/zinc/81/50/93/560815093.db2.gz	ZGCQODFLSVQNSI-SFHVURJKSA-N	1	1	367.453	2.475	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](n3cccn3)C2)cc1	ZINC000463444018	560815094	/nfs/dbraw/zinc/81/50/94/560815094.db2.gz	ZGCQODFLSVQNSI-SFHVURJKSA-N	1	1	367.453	2.475	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1OC	ZINC000463680257	560821096	/nfs/dbraw/zinc/82/10/96/560821096.db2.gz	WIDOOZDRPQUWKP-MRXNPFEDSA-N	1	1	365.499	2.500	20	30		FEEDMO
C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000467130304	560904327	/nfs/dbraw/zinc/90/43/27/560904327.db2.gz	GKDIXXZGZZZWTL-STQMWFEESA-N	1	1	371.453	2.483	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000468472060	560930869	/nfs/dbraw/zinc/93/08/69/560930869.db2.gz	ZQAABUUNAGMECK-IFXJQAMLSA-N	1	1	351.491	2.485	20	30		FEEDMO
COCC[N@H+]1CC[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1	ZINC000469132461	560947943	/nfs/dbraw/zinc/94/79/43/560947943.db2.gz	WCIQAAKVXGCQPJ-SFHVURJKSA-N	1	1	356.470	2.402	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC000469328739	560952602	/nfs/dbraw/zinc/95/26/02/560952602.db2.gz	PFQUJWKAYGWVSX-INIZCTEOSA-N	1	1	354.410	2.054	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H]1C	ZINC000469997542	560971144	/nfs/dbraw/zinc/97/11/44/560971144.db2.gz	AJAYBFOWHDPDMB-CZUORRHYSA-N	1	1	363.845	2.470	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H]1C	ZINC000469997542	560971145	/nfs/dbraw/zinc/97/11/45/560971145.db2.gz	AJAYBFOWHDPDMB-CZUORRHYSA-N	1	1	363.845	2.470	20	30		FEEDMO
C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000470611505	560985685	/nfs/dbraw/zinc/98/56/85/560985685.db2.gz	IWBQFIIPHOXDAL-FRRDWIJNSA-N	1	1	371.453	2.481	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000470611505	560985686	/nfs/dbraw/zinc/98/56/86/560985686.db2.gz	IWBQFIIPHOXDAL-FRRDWIJNSA-N	1	1	371.453	2.481	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1	ZINC000470807690	560990252	/nfs/dbraw/zinc/99/02/52/560990252.db2.gz	GTPUDBJDQBMMCN-ROUUACIJSA-N	1	1	369.444	2.401	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COc2cc(Cl)ccc2C#N)C1	ZINC000474327072	561071352	/nfs/dbraw/zinc/07/13/52/561071352.db2.gz	BZYMVIHTIXMZQI-MRXNPFEDSA-N	1	1	365.861	2.063	20	30		FEEDMO
CC(C)OCC[NH+]1CCC(N[C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000476826016	561129318	/nfs/dbraw/zinc/12/93/18/561129318.db2.gz	YSXHFDJOZSBIQQ-KRWDZBQOSA-N	1	1	364.534	2.197	20	30		FEEDMO
Cc1nccc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3C#N)C2)n1	ZINC000528357137	562324699	/nfs/dbraw/zinc/32/46/99/562324699.db2.gz	UDBYOQMGZBNBHL-QZTJIDSGSA-N	1	1	352.438	2.276	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1	ZINC000528386823	562326297	/nfs/dbraw/zinc/32/62/97/562326297.db2.gz	JSUZIJVAJGMGMI-LSDHHAIUSA-N	1	1	358.360	2.341	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CCN1CCC[N@H+](C2CCCC2)CC1	ZINC000528388137	562326418	/nfs/dbraw/zinc/32/64/18/562326418.db2.gz	OGDGPSZTGNPCKM-UHFFFAOYSA-N	1	1	365.477	2.236	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1	ZINC000528418177	562328163	/nfs/dbraw/zinc/32/81/63/562328163.db2.gz	COEXQHKQXRTPFO-UGKGYDQZSA-N	1	1	364.445	2.472	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1	ZINC000528418177	562328164	/nfs/dbraw/zinc/32/81/64/562328164.db2.gz	COEXQHKQXRTPFO-UGKGYDQZSA-N	1	1	364.445	2.472	20	30		FEEDMO
C[N@@H+]1CC[C@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1	ZINC000528495711	562332241	/nfs/dbraw/zinc/33/22/41/562332241.db2.gz	ZPMZRGOCRRDNSZ-SFTDATJTSA-N	1	1	373.456	2.321	20	30		FEEDMO
C[N@H+]1CC[C@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1	ZINC000528495711	562332242	/nfs/dbraw/zinc/33/22/42/562332242.db2.gz	ZPMZRGOCRRDNSZ-SFTDATJTSA-N	1	1	373.456	2.321	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1	ZINC000528525163	562334010	/nfs/dbraw/zinc/33/40/10/562334010.db2.gz	MIGYJAWLYANDEA-YLJYHZDGSA-N	1	1	360.413	2.094	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@](CO)(c2cccc(F)c2)C1	ZINC000528546036	562335255	/nfs/dbraw/zinc/33/52/55/562335255.db2.gz	REMJBQNHCBMTGY-TZIWHRDSSA-N	1	1	370.424	2.073	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CC4(CCOCC4)CC[C@@H]3CO)o2)cc1	ZINC000528639424	562339630	/nfs/dbraw/zinc/33/96/30/562339630.db2.gz	KMPHHPQFBHSDAY-QGZVFWFLSA-N	1	1	368.437	2.362	20	30		FEEDMO
N#CCC1(O)CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)C1	ZINC000529066936	562358602	/nfs/dbraw/zinc/35/86/02/562358602.db2.gz	CWFZVGWEQASEJA-VQTJNVASSA-N	1	1	367.493	2.412	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2ccc(COC)c(C#N)c2)CC[N@H+]1C[C@@H](C)O	ZINC000529213590	562365156	/nfs/dbraw/zinc/36/51/56/562365156.db2.gz	SJOMHLXDTLHQOT-KDOFPFPSSA-N	1	1	360.458	2.014	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CNc2ccc(C#N)cc2)cc1	ZINC000529829555	562387050	/nfs/dbraw/zinc/38/70/50/562387050.db2.gz	AFENNYAOMUHUMO-LJQANCHMSA-N	1	1	364.449	2.369	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CNc2ccc(C#N)cc2)cc1	ZINC000529829555	562387051	/nfs/dbraw/zinc/38/70/51/562387051.db2.gz	AFENNYAOMUHUMO-LJQANCHMSA-N	1	1	364.449	2.369	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1	ZINC000530627745	562418344	/nfs/dbraw/zinc/41/83/44/562418344.db2.gz	SDZHSYXJHCJCLP-YLJYHZDGSA-N	1	1	355.482	2.453	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000531012692	562431865	/nfs/dbraw/zinc/43/18/65/562431865.db2.gz	HIXHSHJULDEJMD-IUODEOHRSA-N	1	1	362.861	2.481	20	30		FEEDMO
CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000533289955	562503974	/nfs/dbraw/zinc/50/39/74/562503974.db2.gz	HSWNPGCJBYHECG-CRAIPNDOSA-N	1	1	373.501	2.404	20	30		FEEDMO
C[C@@H]1C[C@@H](CCNC(=O)N2CCO[C@@H](C#N)C2)C[N@H+]1Cc1ccccc1	ZINC000533578398	562513693	/nfs/dbraw/zinc/51/36/93/562513693.db2.gz	ADFLEHFEMGHPHP-QRQLOZEOSA-N	1	1	356.470	2.221	20	30		FEEDMO
C[C@@H]1C[C@@H](CCNC(=O)N2CCO[C@H](C#N)C2)C[N@H+]1Cc1ccccc1	ZINC000533578395	562513702	/nfs/dbraw/zinc/51/37/02/562513702.db2.gz	ADFLEHFEMGHPHP-BHIYHBOVSA-N	1	1	356.470	2.221	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1C#N	ZINC000555947813	674382955	/nfs/dbraw/zinc/38/29/55/674382955.db2.gz	COEDYAMWGXAIAP-CYBMUJFWSA-N	1	1	372.288	2.083	20	30		FEEDMO
CN(C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[C@H]1CCC[C@H]1C#N	ZINC000602065179	567923681	/nfs/dbraw/zinc/92/36/81/567923681.db2.gz	CCRCPUHXCNUQLS-LRDDRELGSA-N	1	1	362.861	2.491	20	30		FEEDMO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000602557803	567991378	/nfs/dbraw/zinc/99/13/78/567991378.db2.gz	JGANRLKZLFIOJJ-GHTZIAJQSA-N	1	1	357.498	2.312	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C[C@H](C)N1CC#N	ZINC000602856036	568002369	/nfs/dbraw/zinc/00/23/69/568002369.db2.gz	YCPUHPBNCZRCGQ-QLFBSQMISA-N	1	1	371.403	2.363	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)C1CC1	ZINC000602926730	568018715	/nfs/dbraw/zinc/01/87/15/568018715.db2.gz	WHDIEVUKMDJEIE-WBVHZDCISA-N	1	1	353.825	2.301	20	30		FEEDMO
CO[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@](C)(CO)C1	ZINC000602964070	568023735	/nfs/dbraw/zinc/02/37/35/568023735.db2.gz	MJZBLYYRKWFEPV-QUCCMNQESA-N	1	1	359.470	2.022	20	30		FEEDMO
CO[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@](C)(CO)C1	ZINC000602964070	568023737	/nfs/dbraw/zinc/02/37/37/568023737.db2.gz	MJZBLYYRKWFEPV-QUCCMNQESA-N	1	1	359.470	2.022	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2cc(C(=O)OC)on2)CC1	ZINC000602999293	568043586	/nfs/dbraw/zinc/04/35/86/568043586.db2.gz	CQDQEYAKCKHOFV-AWEZNQCLSA-N	1	1	363.458	2.454	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1	ZINC000603173492	568071286	/nfs/dbraw/zinc/07/12/86/568071286.db2.gz	WZJNJXNAIRZEEO-UYAOXDASSA-N	1	1	366.469	2.110	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000603554264	568116441	/nfs/dbraw/zinc/11/64/41/568116441.db2.gz	VURYPQFCVDUMFF-VFNWGFHPSA-N	1	1	370.497	2.454	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000603554264	568116442	/nfs/dbraw/zinc/11/64/42/568116442.db2.gz	VURYPQFCVDUMFF-VFNWGFHPSA-N	1	1	370.497	2.454	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000604541749	568309735	/nfs/dbraw/zinc/30/97/35/568309735.db2.gz	IQEARUQTZRPWLH-RTBURBONSA-N	1	1	358.461	2.409	20	30		FEEDMO
N#Cc1ccccc1CN1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC000737727006	598417313	/nfs/dbraw/zinc/41/73/13/598417313.db2.gz	BDRPSYFDURIGOC-UHFFFAOYSA-N	1	1	373.464	2.446	20	30		FEEDMO
N#Cc1ccnc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1Cl	ZINC000557625275	674458019	/nfs/dbraw/zinc/45/80/19/674458019.db2.gz	LFWMIIVJKSFAGI-IRXDYDNUSA-N	1	1	356.857	2.902	20	30		FEEDMO
C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1	ZINC000736200483	599311750	/nfs/dbraw/zinc/31/17/50/599311750.db2.gz	STWSWYLDTFDIAZ-AWEZNQCLSA-N	1	1	360.425	2.017	20	30		FEEDMO
CC(C)(C#N)CCC[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1	ZINC000819891536	606110346	/nfs/dbraw/zinc/11/03/46/606110346.db2.gz	AEEUPKCRAKDXGA-UHFFFAOYSA-N	1	1	370.461	2.184	20	30		FEEDMO
N#CCC1CC[NH+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1	ZINC000826381040	609428800	/nfs/dbraw/zinc/42/88/00/609428800.db2.gz	VQNVJWLVGGMKSB-UHFFFAOYSA-N	1	1	350.386	2.042	20	30		FEEDMO
O=[N+]([O-])c1cc(I)cc(C=NNc2cc[nH+]cc2)c1	ZINC000811647375	674618413	/nfs/dbraw/zinc/61/84/13/674618413.db2.gz	JNZNBGJBDPMVAJ-UHFFFAOYSA-N	1	1	368.134	2.462	20	30		FEEDMO
C#C[C@H](NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)c1ccc(Cl)cc1	ZINC000811998586	674645798	/nfs/dbraw/zinc/64/57/98/674645798.db2.gz	TWVAGDMTGLZLRU-KRWDZBQOSA-N	1	1	362.905	2.340	20	30		FEEDMO
CCCCCC[N@@H+](C)CC(=O)N1CCN(c2snc(C)c2C#N)CC1	ZINC000812271581	674660797	/nfs/dbraw/zinc/66/07/97/674660797.db2.gz	NZAAZGJGKCLUPF-UHFFFAOYSA-N	1	1	363.531	2.484	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000562358375	674745581	/nfs/dbraw/zinc/74/55/81/674745581.db2.gz	RPMMDCIFQRMNBY-AWEZNQCLSA-N	1	1	363.483	2.062	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)CC[N@H+](C2CCC2)C1	ZINC000813752404	674776797	/nfs/dbraw/zinc/77/67/97/674776797.db2.gz	SAGVLXAYTOSGHT-CYBMUJFWSA-N	1	1	351.447	2.192	20	30		FEEDMO
C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c1O	ZINC000814227471	674827589	/nfs/dbraw/zinc/82/75/89/674827589.db2.gz	HVNJBAMUXNLSQR-CQSZACIVSA-N	1	1	353.484	2.386	20	30		FEEDMO
C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c1O	ZINC000814227471	674827592	/nfs/dbraw/zinc/82/75/92/674827592.db2.gz	HVNJBAMUXNLSQR-CQSZACIVSA-N	1	1	353.484	2.386	20	30		FEEDMO
C#CCNC(=O)CC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000815009828	674895271	/nfs/dbraw/zinc/89/52/71/674895271.db2.gz	OMFWZEWEFLMCNQ-UHFFFAOYSA-N	1	1	374.794	2.015	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)/C=C\c1cccc(Br)c1	ZINC000815083267	674914558	/nfs/dbraw/zinc/91/45/58/674914558.db2.gz	VBOZAENKIZNTSP-WQLSENKSSA-N	1	1	371.300	2.294	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1	ZINC000815860691	674978907	/nfs/dbraw/zinc/97/89/07/674978907.db2.gz	WXIDNNOIRKCHPJ-UHFFFAOYSA-N	1	1	356.253	2.312	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000050962488	670290113	/nfs/dbraw/zinc/29/01/13/670290113.db2.gz	LCXCIMXOPGVQFT-HNNXBMFYSA-N	1	1	352.479	2.128	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000050962488	670290117	/nfs/dbraw/zinc/29/01/17/670290117.db2.gz	LCXCIMXOPGVQFT-HNNXBMFYSA-N	1	1	352.479	2.128	20	30		FEEDMO
C=C(Br)CNC(=O)N1CC[NH+](CCc2ccccc2)CC1	ZINC000069118813	670480702	/nfs/dbraw/zinc/48/07/02/670480702.db2.gz	NZNGXLLGMRFLEY-UHFFFAOYSA-N	1	1	352.276	2.465	20	30		FEEDMO
CCOc1cccc(/C=N/C[C@]2([NH+]3CCOCC3)CCSC2)c1O	ZINC000078753532	670593460	/nfs/dbraw/zinc/59/34/60/670593460.db2.gz	JKMMXKUZSDDQEA-LSCADSNKSA-N	1	1	350.484	2.418	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@@H+](Cc2ccccc2)C1	ZINC000569796610	670613617	/nfs/dbraw/zinc/61/36/17/670613617.db2.gz	YDISEFNRMJHOKN-QGZVFWFLSA-N	1	1	361.511	2.464	20	30		FEEDMO
CC1(C)C[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CCS1	ZINC000083630809	670659343	/nfs/dbraw/zinc/65/93/43/670659343.db2.gz	YQGXIBYRINEQOI-UHFFFAOYSA-N	1	1	358.467	2.107	20	30		FEEDMO
CC1(C)C[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CCS1	ZINC000083630809	670659346	/nfs/dbraw/zinc/65/93/46/670659346.db2.gz	YQGXIBYRINEQOI-UHFFFAOYSA-N	1	1	358.467	2.107	20	30		FEEDMO
Cc1cnc([C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)s1	ZINC000573040504	671074252	/nfs/dbraw/zinc/07/42/52/671074252.db2.gz	IMSULHILYYKADO-HNNXBMFYSA-N	1	1	362.480	2.233	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)nn1	ZINC000573478741	671127578	/nfs/dbraw/zinc/12/75/78/671127578.db2.gz	PXDGNSRRPUDMKL-ZDUSSCGKSA-N	1	1	357.241	2.300	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1	ZINC000576343994	671362155	/nfs/dbraw/zinc/36/21/55/671362155.db2.gz	NBURGNHGQBAYEN-ZRGWGRIASA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1	ZINC000576343994	671362157	/nfs/dbraw/zinc/36/21/57/671362157.db2.gz	NBURGNHGQBAYEN-ZRGWGRIASA-N	1	1	351.491	2.341	20	30		FEEDMO
CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000609545854	675925741	/nfs/dbraw/zinc/92/57/41/675925741.db2.gz	ZYAUDGCMXNSXDU-CYBMUJFWSA-N	1	1	373.400	2.434	20	30		FEEDMO
CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000609545854	675925744	/nfs/dbraw/zinc/92/57/44/675925744.db2.gz	ZYAUDGCMXNSXDU-CYBMUJFWSA-N	1	1	373.400	2.434	20	30		FEEDMO
COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)CC2(C#N)CCCC2)cc1	ZINC000582612441	672018476	/nfs/dbraw/zinc/01/84/76/672018476.db2.gz	SSTSREGWLWJDPT-QGZVFWFLSA-N	1	1	365.499	2.301	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc(Br)cc2OC)CC1	ZINC000133002109	672104674	/nfs/dbraw/zinc/10/46/74/672104674.db2.gz	ZYNRDDFCTABHIZ-UHFFFAOYSA-N	1	1	351.244	2.239	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1	ZINC000159426875	672281940	/nfs/dbraw/zinc/28/19/40/672281940.db2.gz	XRJDVCVJPHQGPI-GOSISDBHSA-N	1	1	364.511	2.383	20	30		FEEDMO
C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000610901857	676004755	/nfs/dbraw/zinc/00/47/55/676004755.db2.gz	IQJKIAUNICOBPK-HZMBPMFUSA-N	1	1	356.348	2.418	20	30		FEEDMO
C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000610901857	676004757	/nfs/dbraw/zinc/00/47/57/676004757.db2.gz	IQJKIAUNICOBPK-HZMBPMFUSA-N	1	1	356.348	2.418	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[N@@H+](CCO)C(C)(C)C1	ZINC000682035477	672729062	/nfs/dbraw/zinc/72/90/62/672729062.db2.gz	ZDSDQYSXUDZERX-MRXNPFEDSA-N	1	1	365.543	2.040	20	30		FEEDMO
CC(C)N([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)CCC#N	ZINC000592085395	672751662	/nfs/dbraw/zinc/75/16/62/672751662.db2.gz	ZNMMUSPVGALNJR-GOSISDBHSA-N	1	1	364.515	2.062	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1	ZINC000592127450	672761459	/nfs/dbraw/zinc/76/14/59/672761459.db2.gz	FOOGFGXUSUFANI-IIAWOOMASA-N	1	1	350.484	2.392	20	30		FEEDMO
C[N@H+]1CCN(CC(=O)Nc2sccc2C#N)[C@H](Cc2ccccc2)C1	ZINC000593088874	672874197	/nfs/dbraw/zinc/87/41/97/672874197.db2.gz	MQMXTJCDZQFPGE-QGZVFWFLSA-N	1	1	354.479	2.417	20	30		FEEDMO
C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCc2ccccc21	ZINC000593092530	672874842	/nfs/dbraw/zinc/87/48/42/672874842.db2.gz	VKKBUUQATMZYAI-HNNXBMFYSA-N	1	1	355.463	2.389	20	30		FEEDMO
C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)CCc2ccccc21	ZINC000593092530	672874848	/nfs/dbraw/zinc/87/48/48/672874848.db2.gz	VKKBUUQATMZYAI-HNNXBMFYSA-N	1	1	355.463	2.389	20	30		FEEDMO
N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000593455470	672926204	/nfs/dbraw/zinc/92/62/04/672926204.db2.gz	ULHMMJZKBBVOMR-INIZCTEOSA-N	1	1	362.271	2.464	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)c1ccsc1C#N)c1ccc(F)cc1	ZINC000593595601	672953871	/nfs/dbraw/zinc/95/38/71/672953871.db2.gz	ICYSNJJXFJIRRK-ZDUSSCGKSA-N	1	1	353.444	2.340	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1	ZINC000318613810	673035977	/nfs/dbraw/zinc/03/59/77/673035977.db2.gz	IRCRYCGQJUKHLZ-UHFFFAOYSA-N	1	1	367.203	2.075	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1Cl	ZINC000594325124	673058834	/nfs/dbraw/zinc/05/88/34/673058834.db2.gz	BGXIHOCSKAIWIJ-JKSUJKDBSA-N	1	1	360.845	2.283	20	30		FEEDMO
CC(C)[C@H](CNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C)[NH+]1CCOCC1	ZINC000328864383	673068410	/nfs/dbraw/zinc/06/84/10/673068410.db2.gz	BJNGOCIONUKRLT-LSDHHAIUSA-N	1	1	371.547	2.247	20	30		FEEDMO
CCC(=O)N1CSC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000328909317	673069328	/nfs/dbraw/zinc/06/93/28/673069328.db2.gz	MRAGMSWRPIWHGA-MELADBBJSA-N	1	1	357.520	2.142	20	30		FEEDMO
Cc1nc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cs1	ZINC000329332008	673075869	/nfs/dbraw/zinc/07/58/69/673075869.db2.gz	MSPNRGAIYVFUFH-CYBMUJFWSA-N	1	1	362.503	2.368	20	30		FEEDMO
Cc1nc([C@@H](C)NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cs1	ZINC000329332008	673075875	/nfs/dbraw/zinc/07/58/75/673075875.db2.gz	MSPNRGAIYVFUFH-CYBMUJFWSA-N	1	1	362.503	2.368	20	30		FEEDMO
Cc1ncc(CN2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)s1	ZINC000329498060	673078534	/nfs/dbraw/zinc/07/85/34/673078534.db2.gz	XSJNBJGYEAUXAW-SJORKVTESA-N	1	1	363.531	2.110	20	30		FEEDMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCC2CCCCC2)CC1	ZINC000330136356	673086096	/nfs/dbraw/zinc/08/60/96/673086096.db2.gz	NGXNOUONCSIZJL-KRWDZBQOSA-N	1	1	350.507	2.109	20	30		FEEDMO
Cn1cc[nH+]c1[C@H]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000365681227	673144829	/nfs/dbraw/zinc/14/48/29/673144829.db2.gz	YKZFVPBPAPSYHE-LSDHHAIUSA-N	1	1	355.467	2.338	20	30		FEEDMO
C[N@@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000594851071	673163335	/nfs/dbraw/zinc/16/33/35/673163335.db2.gz	ZMDBYDXNVUEPBK-INIZCTEOSA-N	1	1	359.451	2.089	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C[N@H+]1C1CC1	ZINC000595553435	673265628	/nfs/dbraw/zinc/26/56/28/673265628.db2.gz	HEPKZILDXADQEB-KGLIPLIRSA-N	1	1	359.499	2.077	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nc3ccccc3s2)CC1	ZINC000732058122	673352350	/nfs/dbraw/zinc/35/23/50/673352350.db2.gz	WEAVDDJNEAULMJ-INIZCTEOSA-N	1	1	354.479	2.043	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nc3ccccc3s2)CC1	ZINC000732058122	673352351	/nfs/dbraw/zinc/35/23/51/673352351.db2.gz	WEAVDDJNEAULMJ-INIZCTEOSA-N	1	1	354.479	2.043	20	30		FEEDMO
C=CCCSCCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000596721260	673407312	/nfs/dbraw/zinc/40/73/12/673407312.db2.gz	FPAPZHSFGWKTDS-KRWDZBQOSA-N	1	1	354.564	2.107	20	30		FEEDMO
C=CCCSCCNC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1	ZINC000597277456	673462497	/nfs/dbraw/zinc/46/24/97/673462497.db2.gz	AQFZSXMSQIWMML-QGZVFWFLSA-N	1	1	367.559	2.325	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc(F)c(C#N)c(F)c1	ZINC000597435226	673477495	/nfs/dbraw/zinc/47/74/95/673477495.db2.gz	XRFQKCKGGTWPGY-UHFFFAOYSA-N	1	1	351.397	2.267	20	30		FEEDMO
N#Cc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)cnc1C(F)(F)F	ZINC000597577441	673489400	/nfs/dbraw/zinc/48/94/00/673489400.db2.gz	GNEIAELPEGASTF-OLZOCXBDSA-N	1	1	356.323	2.230	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000598343465	673561844	/nfs/dbraw/zinc/56/18/44/673561844.db2.gz	VZLKDCKNDHEDAP-CYBMUJFWSA-N	1	1	366.259	2.300	20	30		FEEDMO
CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1	ZINC000598590859	673587155	/nfs/dbraw/zinc/58/71/55/673587155.db2.gz	UOYUCIYFWPHUKT-CQSZACIVSA-N	1	1	351.397	2.023	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O	ZINC000599631992	673699732	/nfs/dbraw/zinc/69/97/32/673699732.db2.gz	NZXOEXNBMHWLEN-JIFNARCPSA-N	1	1	359.495	2.307	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O	ZINC000599631992	673699734	/nfs/dbraw/zinc/69/97/34/673699734.db2.gz	NZXOEXNBMHWLEN-JIFNARCPSA-N	1	1	359.495	2.307	20	30		FEEDMO
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1	ZINC000614386215	676172831	/nfs/dbraw/zinc/17/28/31/676172831.db2.gz	ADHGWHVBMUGSET-QGZVFWFLSA-N	1	1	367.877	2.174	20	30		FEEDMO
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1	ZINC000614386215	676172834	/nfs/dbraw/zinc/17/28/34/676172834.db2.gz	ADHGWHVBMUGSET-QGZVFWFLSA-N	1	1	367.877	2.174	20	30		FEEDMO
N#CC1(CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCC1	ZINC000545365297	673763298	/nfs/dbraw/zinc/76/32/98/673763298.db2.gz	RXNCNVWQNVMLLO-DOTOQJQBSA-N	1	1	351.516	2.349	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2CC#N)[C@H]1c1ccccc1	ZINC000601378608	673851860	/nfs/dbraw/zinc/85/18/60/673851860.db2.gz	CWGNYRBNTYOODS-PKOBYXMFSA-N	1	1	355.463	2.476	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)c2ccccc2CC#N)[C@H]1c1ccccc1	ZINC000601378608	673851862	/nfs/dbraw/zinc/85/18/62/673851862.db2.gz	CWGNYRBNTYOODS-PKOBYXMFSA-N	1	1	355.463	2.476	20	30		FEEDMO
CC(=O)NCC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000566520445	675220936	/nfs/dbraw/zinc/22/09/36/675220936.db2.gz	QUSISYRQZHGONZ-AWEZNQCLSA-N	1	1	362.861	2.388	20	30		FEEDMO
CC(=O)NCC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000566520445	675220938	/nfs/dbraw/zinc/22/09/38/675220938.db2.gz	QUSISYRQZHGONZ-AWEZNQCLSA-N	1	1	362.861	2.388	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000566943511	675254470	/nfs/dbraw/zinc/25/44/70/675254470.db2.gz	VCSVLBAONBOHHZ-CQSZACIVSA-N	1	1	350.488	2.132	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819342188	675283132	/nfs/dbraw/zinc/28/31/32/675283132.db2.gz	PCDNUTDCGTYPNG-LSDHHAIUSA-N	1	1	352.479	2.032	20	30		FEEDMO
C[N@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(C)(C)C1	ZINC000819452853	675291968	/nfs/dbraw/zinc/29/19/68/675291968.db2.gz	VYLZIGYQFDXGFA-AWEZNQCLSA-N	1	1	352.479	2.126	20	30		FEEDMO
CSc1cccc(F)c1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000567464907	675295226	/nfs/dbraw/zinc/29/52/26/675295226.db2.gz	AIAHVTLINJDTEA-UHFFFAOYSA-N	1	1	365.455	2.378	20	30		FEEDMO
O=C(C#Cc1cccs1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000827919542	675787000	/nfs/dbraw/zinc/78/70/00/675787000.db2.gz	KTDDUQHJSLHZKB-IEBWSBKVSA-N	1	1	354.475	2.099	20	30		FEEDMO
N#Cc1cc(F)c(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)c(F)c1	ZINC000603423436	675799098	/nfs/dbraw/zinc/79/90/98/675799098.db2.gz	OUENXMDSQQVTFO-HNNXBMFYSA-N	1	1	350.413	2.045	20	30		FEEDMO
N#Cc1cc(F)c(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(F)c1	ZINC000603423436	675799100	/nfs/dbraw/zinc/79/91/00/675799100.db2.gz	OUENXMDSQQVTFO-HNNXBMFYSA-N	1	1	350.413	2.045	20	30		FEEDMO
Cn1nc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1Cl	ZINC000828687809	675837106	/nfs/dbraw/zinc/83/71/06/675837106.db2.gz	ONDMDXQGBOLYKE-UHFFFAOYSA-N	1	1	357.845	2.362	20	30		FEEDMO
COC1(CO)CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000618550706	676343982	/nfs/dbraw/zinc/34/39/82/676343982.db2.gz	ASCJFCRDCMEZEY-LBPRGKRZSA-N	1	1	351.834	2.012	20	30		FEEDMO
C[C@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC[N@H+]1CC(C)(C)O	ZINC000619827035	676396581	/nfs/dbraw/zinc/39/65/81/676396581.db2.gz	RQIOYHWCCOOPCE-ZDUSSCGKSA-N	1	1	364.877	2.198	20	30		FEEDMO
C[NH+](C)C1(CS(=O)(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000632068329	676973999	/nfs/dbraw/zinc/97/39/99/676973999.db2.gz	BHDZGKCZFUAMEI-UHFFFAOYSA-N	1	1	360.401	2.071	20	30		FEEDMO
C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000662086173	678575580	/nfs/dbraw/zinc/57/55/80/678575580.db2.gz	PVLSDTFEPAYMMX-IYBDPMFKSA-N	1	1	363.483	2.058	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)C1=O	ZINC000840006220	680792385	/nfs/dbraw/zinc/79/23/85/680792385.db2.gz	BHFMFVMJWBYXHQ-HUUCEWRRSA-N	1	1	352.479	2.103	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)C1=O	ZINC000840006220	680792388	/nfs/dbraw/zinc/79/23/88/680792388.db2.gz	BHFMFVMJWBYXHQ-HUUCEWRRSA-N	1	1	352.479	2.103	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1=O	ZINC000840044066	680794881	/nfs/dbraw/zinc/79/48/81/680794881.db2.gz	XRMDBNFRFXUVHA-LSDHHAIUSA-N	1	1	352.479	2.103	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1=O	ZINC000840044066	680794883	/nfs/dbraw/zinc/79/48/83/680794883.db2.gz	XRMDBNFRFXUVHA-LSDHHAIUSA-N	1	1	352.479	2.103	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccns2)CC1(C)C	ZINC000974589378	679960613	/nfs/dbraw/zinc/96/06/13/679960613.db2.gz	UTAQHXOGPVLEFD-IXDOHACOSA-N	1	1	363.527	2.493	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1snnc1C)CC2	ZINC000992243400	680097880	/nfs/dbraw/zinc/09/78/80/680097880.db2.gz	VOSBOKGKVMARNV-CXHZTBPHSA-N	1	1	362.499	2.051	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1snnc1C)CC2	ZINC000992243400	680097885	/nfs/dbraw/zinc/09/78/85/680097885.db2.gz	VOSBOKGKVMARNV-CXHZTBPHSA-N	1	1	362.499	2.051	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1snnc1C)CC2	ZINC000992243402	680098066	/nfs/dbraw/zinc/09/80/66/680098066.db2.gz	VOSBOKGKVMARNV-OAOQPFQOSA-N	1	1	362.499	2.051	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1snnc1C)CC2	ZINC000992243402	680098069	/nfs/dbraw/zinc/09/80/69/680098069.db2.gz	VOSBOKGKVMARNV-OAOQPFQOSA-N	1	1	362.499	2.051	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)s2)C1	ZINC001020169120	680101963	/nfs/dbraw/zinc/10/19/63/680101963.db2.gz	NTMAEDYEVRCZBA-TUVASFSCSA-N	1	1	362.499	2.134	20	30		FEEDMO
C=C(Br)CN1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1	ZINC000981197718	680220968	/nfs/dbraw/zinc/22/09/68/680220968.db2.gz	LQRLFFHIOBPOFU-LSDHHAIUSA-N	1	1	358.324	2.160	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCOCC2)C1	ZINC001023375030	680257303	/nfs/dbraw/zinc/25/73/03/680257303.db2.gz	FQZKECOQRXDGFC-QRVBRYPASA-N	1	1	350.503	2.222	20	30		FEEDMO
C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001023444171	680260873	/nfs/dbraw/zinc/26/08/73/680260873.db2.gz	DZLVYAPNKBHLEP-ZNMIVQPWSA-N	1	1	364.408	2.127	20	30		FEEDMO
C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001023499214	680261418	/nfs/dbraw/zinc/26/14/18/680261418.db2.gz	XAQYRYVPZXKINA-RDGWLKQMSA-N	1	1	369.303	2.147	20	30		FEEDMO
C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001023499214	680261421	/nfs/dbraw/zinc/26/14/21/680261421.db2.gz	XAQYRYVPZXKINA-RDGWLKQMSA-N	1	1	369.303	2.147	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC000982803512	680288149	/nfs/dbraw/zinc/28/81/49/680288149.db2.gz	IEYDRYDQTPLYEL-HRCADAONSA-N	1	1	369.937	2.460	20	30		FEEDMO
CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ccc(S(=O)(=O)C(F)F)cc1	ZINC000753939296	680325502	/nfs/dbraw/zinc/32/55/02/680325502.db2.gz	NVMSQNDFVIRXHS-KBPBESRZSA-N	1	1	370.425	2.267	20	30		FEEDMO
C[C@H]1CC(N=Nc2ncnc3c2c(Br)nn3C)C[N@H+]1C1CC1	ZINC000753959188	680326881	/nfs/dbraw/zinc/32/68/81/680326881.db2.gz	FLPGFPKWEACOIP-QMMMGPOBSA-N	1	1	364.251	2.150	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC000998121283	680376102	/nfs/dbraw/zinc/37/61/02/680376102.db2.gz	OVVKYUXMCYSKIB-PMPSAXMXSA-N	1	1	355.910	2.344	20	30		FEEDMO
CCCCCCCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000755076918	680397742	/nfs/dbraw/zinc/39/77/42/680397742.db2.gz	CWRNBHKKCMMACT-KRWDZBQOSA-N	1	1	352.523	2.295	20	30		FEEDMO
CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1	ZINC001033279779	680421359	/nfs/dbraw/zinc/42/13/59/680421359.db2.gz	RXWYLBKFHVDYBI-IHETXDGRSA-N	1	1	359.495	2.468	20	30		FEEDMO
CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC001033279779	680421361	/nfs/dbraw/zinc/42/13/61/680421361.db2.gz	RXWYLBKFHVDYBI-IHETXDGRSA-N	1	1	359.495	2.468	20	30		FEEDMO
C=C(Br)CN1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC001034213982	680431154	/nfs/dbraw/zinc/43/11/54/680431154.db2.gz	FQVHRKODOJMNOK-RBSFLKMASA-N	1	1	358.324	2.206	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2	ZINC001000487321	680433708	/nfs/dbraw/zinc/43/37/08/680433708.db2.gz	YIOYASBOCLZRMG-OJLVUWQFSA-N	1	1	367.921	2.355	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1cc(F)ccc1Br	ZINC000836228997	680438339	/nfs/dbraw/zinc/43/83/39/680438339.db2.gz	AIZQFXIQFXYVQL-UHFFFAOYSA-N	1	1	356.239	2.343	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ncnc2c1c(Br)nn2C	ZINC000755890692	680443121	/nfs/dbraw/zinc/44/31/21/680443121.db2.gz	YBBBMZFZGGCVNG-MRVPVSSYSA-N	1	1	364.251	2.008	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cc(OC)ns2)CC1	ZINC000985658993	680467298	/nfs/dbraw/zinc/46/72/98/680467298.db2.gz	URKCUBFOGFWKBV-CVEARBPZSA-N	1	1	365.499	2.166	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl	ZINC000836488716	680476310	/nfs/dbraw/zinc/47/63/10/680476310.db2.gz	MCEPVBAAJMLNLF-CQSZACIVSA-N	1	1	358.269	2.281	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1Cc2ccc(Br)cc2C1	ZINC000836489988	680476580	/nfs/dbraw/zinc/47/65/80/680476580.db2.gz	ARFKSKXRQOBGLP-UHFFFAOYSA-N	1	1	350.260	2.429	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1	ZINC001004579631	680560926	/nfs/dbraw/zinc/56/09/26/680560926.db2.gz	OZAHWGURZKIJHW-FHWLQOOXSA-N	1	1	350.503	2.053	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC[C@H]2CCOC2)C1	ZINC001044029557	680606426	/nfs/dbraw/zinc/60/64/26/680606426.db2.gz	PJDHNCFGOWQBJT-WDSOQIARSA-N	1	1	350.503	2.317	20	30		FEEDMO
C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@H+](Cc2ccc(C#N)s2)C1	ZINC001046388705	680648279	/nfs/dbraw/zinc/64/82/79/680648279.db2.gz	UXMIMVULWXBEPM-IIDMSEBBSA-N	1	1	355.467	2.227	20	30		FEEDMO
C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC001046388705	680648283	/nfs/dbraw/zinc/64/82/83/680648283.db2.gz	UXMIMVULWXBEPM-IIDMSEBBSA-N	1	1	355.467	2.227	20	30		FEEDMO
C=C(Br)CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000767154544	680900848	/nfs/dbraw/zinc/90/08/48/680900848.db2.gz	SADHTPOOQWUCDD-MRXNPFEDSA-N	1	1	364.243	2.092	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@@H](C)n1cc(Br)cn1	ZINC000842711074	680961186	/nfs/dbraw/zinc/96/11/86/680961186.db2.gz	WBYOUXVLMQUSLQ-TZMCWYRMSA-N	1	1	354.248	2.238	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cc(OC)ccc2Br)CC1	ZINC000769022516	680968170	/nfs/dbraw/zinc/96/81/70/680968170.db2.gz	SPFMZPDDGNRJJJ-UHFFFAOYSA-N	1	1	365.271	2.419	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1	ZINC000769899489	680999601	/nfs/dbraw/zinc/99/96/01/680999601.db2.gz	WUWAFZXKQFGEHS-UHFFFAOYSA-N	1	1	373.862	2.485	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1snnc1C	ZINC001049732225	681037757	/nfs/dbraw/zinc/03/77/57/681037757.db2.gz	LOKOVLHSQLYGLV-QXSJWSMHSA-N	1	1	362.499	2.003	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1snnc1C	ZINC001049732225	681037759	/nfs/dbraw/zinc/03/77/59/681037759.db2.gz	LOKOVLHSQLYGLV-QXSJWSMHSA-N	1	1	362.499	2.003	20	30		FEEDMO
C=C(Br)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H](C)O3)C2)CC1	ZINC001050673729	681053428	/nfs/dbraw/zinc/05/34/28/681053428.db2.gz	FTXFBDZLCIVADQ-ZIAGYGMSSA-N	1	1	357.292	2.387	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1c1nc(C#N)c(Cl)s1	ZINC001051026828	681060850	/nfs/dbraw/zinc/06/08/50/681060850.db2.gz	HSJSGEKIETVDDV-TUAOUCFPSA-N	1	1	367.906	2.236	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C(F)(F)F)cn2)CC1	ZINC000932230217	681200977	/nfs/dbraw/zinc/20/09/77/681200977.db2.gz	JWCVJNRVJZEAOL-LBPRGKRZSA-N	1	1	355.360	2.082	20	30		FEEDMO
C[C@H]1CCC[N@H+]1CCNC(=O)Cc1ccc(Br)cc1C#N	ZINC000846639608	681270791	/nfs/dbraw/zinc/27/07/91/681270791.db2.gz	RPZMGRYDNNQNCA-LBPRGKRZSA-N	1	1	350.260	2.464	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2nc3c(s2)CCC3)CC1	ZINC000932622290	681273916	/nfs/dbraw/zinc/27/39/16/681273916.db2.gz	QMOKBYUWAWQOGB-LBPRGKRZSA-N	1	1	362.499	2.212	20	30		FEEDMO
C#C[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1	ZINC000847027956	681322684	/nfs/dbraw/zinc/32/26/84/681322684.db2.gz	DZYOVCKDJDZZHJ-ZDUSSCGKSA-N	1	1	359.495	2.400	20	30		FEEDMO
C#C[C@H]1CCC[N@@H+](CC(=O)N(C)CC(=O)Nc2ccccc2SC)C1	ZINC000847032224	681323188	/nfs/dbraw/zinc/32/31/88/681323188.db2.gz	WCYHEGTVCHREFI-HNNXBMFYSA-N	1	1	359.495	2.151	20	30		FEEDMO
C#C[C@H]1CCC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2SC)C1	ZINC000847032224	681323191	/nfs/dbraw/zinc/32/31/91/681323191.db2.gz	WCYHEGTVCHREFI-HNNXBMFYSA-N	1	1	359.495	2.151	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)C2(C#N)CCSCC2)[C@@H](C)C1	ZINC000932945633	681333038	/nfs/dbraw/zinc/33/30/38/681333038.db2.gz	DMPNNPCNJYSBKF-HOTGVXAUSA-N	1	1	353.532	2.277	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H]1CCCO1	ZINC000775785972	681335364	/nfs/dbraw/zinc/33/53/64/681335364.db2.gz	UFNDAUYRGBKXON-HUUCEWRRSA-N	1	1	358.335	2.231	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCCO1	ZINC000775799546	681336106	/nfs/dbraw/zinc/33/61/06/681336106.db2.gz	NRLNYCCAIBBTDU-JSGCOSHPSA-N	1	1	355.207	2.297	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1	ZINC000775805284	681337043	/nfs/dbraw/zinc/33/70/43/681337043.db2.gz	FJFQEAQOUGETQK-VZJVUDMVSA-N	1	1	351.790	2.346	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@@H](OC)c2ccccc2Br)CC1	ZINC000847415685	681376096	/nfs/dbraw/zinc/37/60/96/681376096.db2.gz	DIVAQSAUTWEJGF-INIZCTEOSA-N	1	1	365.271	2.304	20	30		FEEDMO
C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCCCC2=NNC2CCS(=O)(=O)CC2)C1	ZINC000776793085	681436326	/nfs/dbraw/zinc/43/63/26/681436326.db2.gz	KUUJNKCYKABGFN-RKVPGOIHSA-N	1	1	355.548	2.430	20	30		FEEDMO
CC[N@@H+](CCC(=O)NC)CC(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000933863533	681475941	/nfs/dbraw/zinc/47/59/41/681475941.db2.gz	MDGFGGYWAAREIL-AWEZNQCLSA-N	1	1	362.499	2.335	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1	ZINC000779196368	681687756	/nfs/dbraw/zinc/68/77/56/681687756.db2.gz	SXUPHLUFLQAXSJ-TZMCWYRMSA-N	1	1	355.360	2.478	20	30		FEEDMO
CC(C)(C#N)CS(=O)(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21	ZINC000914361187	685505482	/nfs/dbraw/zinc/50/54/82/685505482.db2.gz	INPNVUWDJCBMQZ-OKZBNKHCSA-N	1	1	361.511	2.366	20	30		FEEDMO
C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C(C)(C)C1	ZINC000940915687	682087303	/nfs/dbraw/zinc/08/73/03/682087303.db2.gz	VDWMCSSYFJPRMW-WNRNVDISSA-N	1	1	350.503	2.221	20	30		FEEDMO
C#CCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C	ZINC000852599842	682306254	/nfs/dbraw/zinc/30/62/54/682306254.db2.gz	UZOFYJGTUNBJLS-HZPDHXFCSA-N	1	1	351.491	2.141	20	30		FEEDMO
N#Cc1ccc(NC(=S)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1Cl	ZINC000853043424	682367257	/nfs/dbraw/zinc/36/72/57/682367257.db2.gz	KEDHOHDSHAVOGM-HNNXBMFYSA-N	1	1	364.902	2.439	20	30		FEEDMO
C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC000971721142	682369369	/nfs/dbraw/zinc/36/93/69/682369369.db2.gz	XSZHIHDRYCFEGT-ZMSDIMECSA-N	1	1	366.893	2.266	20	30		FEEDMO
C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC000971721142	682369374	/nfs/dbraw/zinc/36/93/74/682369374.db2.gz	XSZHIHDRYCFEGT-ZMSDIMECSA-N	1	1	366.893	2.266	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1	ZINC000972254899	682401823	/nfs/dbraw/zinc/40/18/23/682401823.db2.gz	MIKYZTJCUASNQN-HUUCEWRRSA-N	1	1	364.877	2.030	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000856189478	682752015	/nfs/dbraw/zinc/75/20/15/682752015.db2.gz	NHIZRCAIQQIFQP-CVEARBPZSA-N	1	1	351.491	2.140	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000856189478	682752018	/nfs/dbraw/zinc/75/20/18/682752018.db2.gz	NHIZRCAIQQIFQP-CVEARBPZSA-N	1	1	351.491	2.140	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1	ZINC000858493476	682972879	/nfs/dbraw/zinc/97/28/79/682972879.db2.gz	VZJBUEVVTZZKAO-OAHLLOKOSA-N	1	1	366.868	2.312	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1cccc(F)c1C#N	ZINC000796234124	683144006	/nfs/dbraw/zinc/14/40/06/683144006.db2.gz	BSIFFQNBPVXECR-UHFFFAOYSA-N	1	1	365.430	2.433	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000928103241	683394272	/nfs/dbraw/zinc/39/42/72/683394272.db2.gz	LOBVAPOTFWPEDM-IAGOWNOFSA-N	1	1	359.495	2.412	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12	ZINC000928103241	683394274	/nfs/dbraw/zinc/39/42/74/683394274.db2.gz	LOBVAPOTFWPEDM-IAGOWNOFSA-N	1	1	359.495	2.412	20	30		FEEDMO
CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1	ZINC000861354454	683397048	/nfs/dbraw/zinc/39/70/48/683397048.db2.gz	VRDNVYBCULYDKB-WFASDCNBSA-N	1	1	357.332	2.238	20	30		FEEDMO
N#Cc1ccc(Br)c(C[NH2+]C[C@H]2CCCCS2(=O)=O)c1	ZINC000921984048	683630901	/nfs/dbraw/zinc/63/09/01/683630901.db2.gz	FGPRTJKKCYKYSF-CYBMUJFWSA-N	1	1	357.273	2.378	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCCC2=NN[C@@H]2CCCS(=O)(=O)C2)C1	ZINC000863133241	683680205	/nfs/dbraw/zinc/68/02/05/683680205.db2.gz	ICEDSCMKORCLDE-KYHPRHEASA-N	1	1	355.548	2.430	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2=NN[C@@H]2CCCS(=O)(=O)C2)C1	ZINC000863133241	683680207	/nfs/dbraw/zinc/68/02/07/683680207.db2.gz	ICEDSCMKORCLDE-KYHPRHEASA-N	1	1	355.548	2.430	20	30		FEEDMO
N#CC[C@@H](O)C[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1	ZINC000930195647	683691255	/nfs/dbraw/zinc/69/12/55/683691255.db2.gz	UGCGCWYGDOLWME-HUUCEWRRSA-N	1	1	355.360	2.233	20	30		FEEDMO
C=CC1(CC(=O)NC[C@@H]2CC[N@H+](CC)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000930369846	683720067	/nfs/dbraw/zinc/72/00/67/683720067.db2.gz	YRSKAIOMVJYYRG-HNNXBMFYSA-N	1	1	351.491	2.258	20	30		FEEDMO
Cc1ccc(C[NH2+]Cc2c(I)cnn2C)cc1C#N	ZINC000922760613	683778654	/nfs/dbraw/zinc/77/86/54/683778654.db2.gz	WZHYJWADGSYUHN-UHFFFAOYSA-N	1	1	366.206	2.495	20	30		FEEDMO
C=CC[C@@H]1CC[N@H+](C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)C1	ZINC000931162397	683843506	/nfs/dbraw/zinc/84/35/06/683843506.db2.gz	ABOHYMREJWHWNW-HUUCEWRRSA-N	1	1	350.459	2.437	20	30		FEEDMO
C=C(Cl)C[C@H]1NC(=O)N(c2ccc(CC[NH+]3CCOCC3)cc2)C1=O	ZINC000864554298	683867281	/nfs/dbraw/zinc/86/72/81/683867281.db2.gz	GTMISFGTXFXKHD-MRXNPFEDSA-N	1	1	363.845	2.129	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(Cl)ncc2Br)C1	ZINC000923560049	684305758	/nfs/dbraw/zinc/30/57/58/684305758.db2.gz	YERYUXKUMUQCCS-SNVBAGLBSA-N	1	1	356.651	2.325	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)ncc2Br)C1	ZINC000923560049	684305763	/nfs/dbraw/zinc/30/57/63/684305763.db2.gz	YERYUXKUMUQCCS-SNVBAGLBSA-N	1	1	356.651	2.325	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000923571171	684307434	/nfs/dbraw/zinc/30/74/34/684307434.db2.gz	AFNKXESRDRVNQD-LBPRGKRZSA-N	1	1	355.316	2.441	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000923571171	684307440	/nfs/dbraw/zinc/30/74/40/684307440.db2.gz	AFNKXESRDRVNQD-LBPRGKRZSA-N	1	1	355.316	2.441	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(OC)cc2Br)C1	ZINC000923583457	684308310	/nfs/dbraw/zinc/30/83/10/684308310.db2.gz	MWTDOTPBMVQIQO-GFCCVEGCSA-N	1	1	351.244	2.285	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC)cc2Br)C1	ZINC000923583457	684308315	/nfs/dbraw/zinc/30/83/15/684308315.db2.gz	MWTDOTPBMVQIQO-GFCCVEGCSA-N	1	1	351.244	2.285	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2S[C@H](C)C(=O)OC)C1	ZINC000923587048	684309179	/nfs/dbraw/zinc/30/91/79/684309179.db2.gz	VDOHZNUVERXKEE-HUUCEWRRSA-N	1	1	360.479	2.168	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2S[C@H](C)C(=O)OC)C1	ZINC000923587048	684309182	/nfs/dbraw/zinc/30/91/82/684309182.db2.gz	VDOHZNUVERXKEE-HUUCEWRRSA-N	1	1	360.479	2.168	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1	ZINC000931802391	684351262	/nfs/dbraw/zinc/35/12/62/684351262.db2.gz	OYZMMOFOBBYXSN-SNVBAGLBSA-N	1	1	363.771	2.318	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1	ZINC000931802391	684351271	/nfs/dbraw/zinc/35/12/71/684351271.db2.gz	OYZMMOFOBBYXSN-SNVBAGLBSA-N	1	1	363.771	2.318	20	30		FEEDMO
N#Cc1cccc(C2(NC(=O)N[C@@H]3CCC[N@H+]4CCSC[C@@H]34)CC2)c1	ZINC000925165856	684533779	/nfs/dbraw/zinc/53/37/79/684533779.db2.gz	LHJPYGDLSDZYPY-SJORKVTESA-N	1	1	356.495	2.426	20	30		FEEDMO
Cc1c(Br)cc(C#N)c(=O)n1Cc1[nH+]ccn1CC(F)F	ZINC000871667362	684842701	/nfs/dbraw/zinc/84/27/01/684842701.db2.gz	IRFZUGZDLOAIQT-UHFFFAOYSA-N	1	1	357.158	2.301	20	30		FEEDMO
C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000872663888	685000352	/nfs/dbraw/zinc/00/03/52/685000352.db2.gz	PLMNRBCDSCAULU-CABCVRRESA-N	1	1	373.400	2.434	20	30		FEEDMO
C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1O	ZINC000872793706	685016642	/nfs/dbraw/zinc/01/66/42/685016642.db2.gz	CKRVTWOOHZPHSY-WBVHZDCISA-N	1	1	365.495	2.386	20	30		FEEDMO
CCCCCCCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1	ZINC000875765793	686080066	/nfs/dbraw/zinc/08/00/66/686080066.db2.gz	ZLYGVQZCCSYMSO-UHFFFAOYSA-N	1	1	352.523	2.152	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Br)cc2)C[C@H](C)N1CC#N	ZINC000878771349	686655585	/nfs/dbraw/zinc/65/55/85/686655585.db2.gz	JNMDPKOAVPWZMV-DVOMOZLQSA-N	1	1	352.276	2.401	20	30		FEEDMO
N#Cc1sccc1N1CC[NH+](C[C@H](O)C[C@@H](O)c2ccccc2)CC1	ZINC000878888596	686683734	/nfs/dbraw/zinc/68/37/34/686683734.db2.gz	QDQGXQSOSSCOPM-SJLPKXTDSA-N	1	1	357.479	2.226	20	30		FEEDMO
C[N@H+](CCc1cccc(C#N)c1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1	ZINC000879435104	686820235	/nfs/dbraw/zinc/82/02/35/686820235.db2.gz	WDJLKXPSIHVUKI-IBGZPJMESA-N	1	1	358.463	2.170	20	30		FEEDMO
C[N@@H+](CCc1cccc(C#N)c1)C[C@H](O)c1ccc(S(C)(=O)=O)cc1	ZINC000879435104	686820242	/nfs/dbraw/zinc/82/02/42/686820242.db2.gz	WDJLKXPSIHVUKI-IBGZPJMESA-N	1	1	358.463	2.170	20	30		FEEDMO
C[N@H+]1CCCN(CCCNc2ncc(C#N)cc2Br)CC1	ZINC000881869655	687240418	/nfs/dbraw/zinc/24/04/18/687240418.db2.gz	PKCFRVASNXFDLE-UHFFFAOYSA-N	1	1	352.280	2.155	20	30		FEEDMO
CN1CCC[N@H+](CCCNc2ncc(C#N)cc2Br)CC1	ZINC000881869655	687240420	/nfs/dbraw/zinc/24/04/20/687240420.db2.gz	PKCFRVASNXFDLE-UHFFFAOYSA-N	1	1	352.280	2.155	20	30		FEEDMO
CN1CCC[N@@H+](CCCNc2ncc(C#N)cc2Br)CC1	ZINC000881869655	687240423	/nfs/dbraw/zinc/24/04/23/687240423.db2.gz	PKCFRVASNXFDLE-UHFFFAOYSA-N	1	1	352.280	2.155	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)NCc1ccc(SC)c(C#N)c1	ZINC000884173258	687807850	/nfs/dbraw/zinc/80/78/50/687807850.db2.gz	QPSHALAAKCAUFU-UHFFFAOYSA-N	1	1	350.488	2.048	20	30		FEEDMO
CSc1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1C#N	ZINC000884204593	687817404	/nfs/dbraw/zinc/81/74/04/687817404.db2.gz	ZEGLRNRFBUQCIV-CQSZACIVSA-N	1	1	362.499	2.048	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)C1	ZINC000884256223	687830832	/nfs/dbraw/zinc/83/08/32/687830832.db2.gz	WFHBGENCBQHGOE-YOEHRIQHSA-N	1	1	351.397	2.049	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)C1	ZINC000884256223	687830837	/nfs/dbraw/zinc/83/08/37/687830837.db2.gz	WFHBGENCBQHGOE-YOEHRIQHSA-N	1	1	351.397	2.049	20	30		FEEDMO
N#CC1(C[C@@H](O)C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)CCC1	ZINC000886171320	688210087	/nfs/dbraw/zinc/21/00/87/688210087.db2.gz	DJZVSCBESCWDSJ-GFCCVEGCSA-N	1	1	354.376	2.066	20	30		FEEDMO
C[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F	ZINC000886206050	688214018	/nfs/dbraw/zinc/21/40/18/688214018.db2.gz	HDBRDXYCXSPKAK-XUXIUFHCSA-N	1	1	361.408	2.209	20	30		FEEDMO
C[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F	ZINC000886206050	688214023	/nfs/dbraw/zinc/21/40/23/688214023.db2.gz	HDBRDXYCXSPKAK-XUXIUFHCSA-N	1	1	361.408	2.209	20	30		FEEDMO
C[N@H+]1CCC[C@](O)(CC(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000887994965	688532789	/nfs/dbraw/zinc/53/27/89/688532789.db2.gz	QMEHMHAABOXENS-HNNXBMFYSA-N	1	1	352.232	2.106	20	30		FEEDMO
C#CCSCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000889906558	688848129	/nfs/dbraw/zinc/84/81/29/688848129.db2.gz	GIRUTZHBTKMCDS-ZWKOTPCHSA-N	1	1	351.560	2.148	20	30		FEEDMO
N#Cc1csc(CNC(=O)NCCC[N@H+]2CCc3ccccc3C2)n1	ZINC000891892483	689123721	/nfs/dbraw/zinc/12/37/21/689123721.db2.gz	JQMCEGUFZFUHJX-UHFFFAOYSA-N	1	1	355.467	2.262	20	30		FEEDMO
N#Cc1cc(C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)cs1	ZINC000895320109	689695145	/nfs/dbraw/zinc/69/51/45/689695145.db2.gz	WFNXLSBYIXLFGK-CALCHBBNSA-N	1	1	351.431	2.237	20	30		FEEDMO
C[N@H+]1C[C@@H](CNC(=O)NCc2nc(C#N)cs2)[C@H](c2ccccc2)C1	ZINC000897262215	689996333	/nfs/dbraw/zinc/99/63/33/689996333.db2.gz	VSWFSFPHOSQRDA-ZBFHGGJFSA-N	1	1	355.467	2.159	20	30		FEEDMO
CN(C(=O)NCc1nc(C#N)cs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000897289455	690000652	/nfs/dbraw/zinc/00/06/52/690000652.db2.gz	XTQYZYSTRONSND-MRXNPFEDSA-N	1	1	355.467	2.431	20	30		FEEDMO
N#Cc1sccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1	ZINC000903497161	690901318	/nfs/dbraw/zinc/90/13/18/690901318.db2.gz	DSCUFHOXFIMREV-CYBMUJFWSA-N	1	1	351.428	2.094	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3[nH]cc(C#N)c31)C2	ZINC001164806441	720069674	/nfs/dbraw/zinc/06/96/74/720069674.db2.gz	CWKBRTPNZSWADL-JXFKEZNVSA-N	1	1	366.469	2.014	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc(Cl)c1C#N)C2	ZINC001164807947	720087496	/nfs/dbraw/zinc/08/74/96/720087496.db2.gz	GPUSQBUDROKSNE-RDTXWAMCSA-N	1	1	361.877	2.186	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(OC)c1C#N)C2	ZINC001164814370	720100185	/nfs/dbraw/zinc/10/01/85/720100185.db2.gz	SDAGLHRWHIGOES-UZLBHIALSA-N	1	1	356.470	2.147	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(OC)cc(C#N)n1)C2	ZINC001164816175	720122776	/nfs/dbraw/zinc/12/27/76/720122776.db2.gz	YBNZLRZNIBERBV-OXQOHEQNSA-N	1	1	356.470	2.147	20	30		FEEDMO
Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C#N)n1	ZINC001164837375	720555202	/nfs/dbraw/zinc/55/52/02/720555202.db2.gz	MCBWXZKHLRHNKY-RCCFBDPRSA-N	1	1	365.485	2.231	20	30		FEEDMO
N#Cc1ccc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1	ZINC001164741589	720675802	/nfs/dbraw/zinc/67/58/02/720675802.db2.gz	UHRUFVVHCAJLGU-MSOLQXFVSA-N	1	1	372.432	2.238	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3ncc4c(c3C#N)CCCC4)CC[C@@H]2C1	ZINC001164863008	720890828	/nfs/dbraw/zinc/89/08/28/720890828.db2.gz	SGJGXTUBYBAKGL-XLIONFOSSA-N	1	1	370.497	2.006	20	30		FEEDMO
Cc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1CC#N	ZINC001164880931	721157413	/nfs/dbraw/zinc/15/74/13/721157413.db2.gz	XWMRUFATBLHSFS-PMACEKPBSA-N	1	1	363.465	2.331	20	30		FEEDMO
N#Cc1nccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164907944	721584678	/nfs/dbraw/zinc/58/46/78/721584678.db2.gz	WZUMJFXVCSCCBU-SFHVURJKSA-N	1	1	370.407	2.481	20	30		FEEDMO
Cc1cnc2n1CCN(C)C21CCN(c2ccc(CC#N)c(C)[nH+]2)CC1	ZINC001164917705	721819817	/nfs/dbraw/zinc/81/98/17/721819817.db2.gz	GZLVEQDRXGCLDJ-UHFFFAOYSA-N	1	1	350.470	2.402	20	30		FEEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(C#N)c(C#N)n3)C[C@@H]21	ZINC001165026283	721826026	/nfs/dbraw/zinc/82/60/26/721826026.db2.gz	OOLSGXQPPORLDI-OXFYSEKESA-N	1	1	373.464	2.352	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)c(Cl)cc1C#N	ZINC001164928662	721863692	/nfs/dbraw/zinc/86/36/92/721863692.db2.gz	ZTSNAGLAAKFIDZ-KGLIPLIRSA-N	1	1	354.285	2.475	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)c(Cl)cc1C#N	ZINC001164928662	721863693	/nfs/dbraw/zinc/86/36/93/721863693.db2.gz	ZTSNAGLAAKFIDZ-KGLIPLIRSA-N	1	1	354.285	2.475	20	30		FEEDMO
N#Cc1ncc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1C#N	ZINC001164956146	722022671	/nfs/dbraw/zinc/02/26/71/722022671.db2.gz	XGNQJKRNONLYRJ-UHFFFAOYSA-N	1	1	359.437	2.107	20	30		FEEDMO
N#Cc1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1	ZINC001164960532	722051892	/nfs/dbraw/zinc/05/18/92/722051892.db2.gz	RONYZOBTZNDAMQ-UHFFFAOYSA-N	1	1	363.465	2.467	20	30		FEEDMO
N#Cc1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1F	ZINC001164980430	722117677	/nfs/dbraw/zinc/11/76/77/722117677.db2.gz	RECRPXRDMSGRFC-MSOLQXFVSA-N	1	1	367.428	2.215	20	30		FEEDMO
N#Cc1c(F)ccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164979221	722126299	/nfs/dbraw/zinc/12/62/99/722126299.db2.gz	POVJIDWZPQWWOK-VQIMIIECSA-N	1	1	367.428	2.215	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@H+](C)CC[C@H]1C	ZINC000499127637	889030900	/nfs/dbraw/zinc/03/09/00/889030900.db2.gz	MVMHXYWTRAILSJ-CQSZACIVSA-N	1	1	353.430	2.005	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1	ZINC000024713491	539739219	/nfs/dbraw/zinc/73/92/19/539739219.db2.gz	MWKLZVJAWJOZLA-UHFFFAOYSA-N	1	1	355.463	2.455	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1	ZINC000024713491	539739222	/nfs/dbraw/zinc/73/92/22/539739222.db2.gz	MWKLZVJAWJOZLA-UHFFFAOYSA-N	1	1	355.463	2.455	20	30		FEEDMO
C[N@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)Cc1cccc(C#N)c1	ZINC000026328389	539783939	/nfs/dbraw/zinc/78/39/39/539783939.db2.gz	LNIABYQDNXKWFG-UHFFFAOYSA-N	1	1	368.412	2.038	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)Cc1cccc(C#N)c1	ZINC000026328389	539783943	/nfs/dbraw/zinc/78/39/43/539783943.db2.gz	LNIABYQDNXKWFG-UHFFFAOYSA-N	1	1	368.412	2.038	20	30		FEEDMO
CN(C(=O)C[N@@H+](CCC(N)=O)Cc1ccccc1)C1(C#N)CCCCC1	ZINC000027548116	539809667	/nfs/dbraw/zinc/80/96/67/539809667.db2.gz	WFLGRBRDALLMNM-UHFFFAOYSA-N	1	1	356.470	2.049	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1	ZINC000029832239	539865041	/nfs/dbraw/zinc/86/50/41/539865041.db2.gz	RNLNZCYKFZXHKH-UONOGXRCSA-N	1	1	356.426	2.408	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@H]3CCC[C@@H](C)C3)CC2)o1	ZINC000029820690	539865118	/nfs/dbraw/zinc/86/51/18/539865118.db2.gz	YROXLTRLTOTOCT-ZBFHGGJFSA-N	1	1	359.474	2.014	20	30		FEEDMO
Cc1nc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1C#N	ZINC000032276615	539933211	/nfs/dbraw/zinc/93/32/11/539933211.db2.gz	ZORKWFJWGDLRSJ-UHFFFAOYSA-N	1	1	350.422	2.024	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1ccccc1	ZINC000045796761	540228117	/nfs/dbraw/zinc/22/81/17/540228117.db2.gz	XNJAHGHBRKHJSL-UHFFFAOYSA-N	1	1	367.449	2.252	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1ccccc1	ZINC000045796761	540228119	/nfs/dbraw/zinc/22/81/19/540228119.db2.gz	XNJAHGHBRKHJSL-UHFFFAOYSA-N	1	1	367.449	2.252	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1	ZINC000048159438	540348330	/nfs/dbraw/zinc/34/83/30/540348330.db2.gz	BXMWAQZUYHXGCV-SFHVURJKSA-N	1	1	374.485	2.081	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3nccs3)CC2)cc1	ZINC000051339181	540430878	/nfs/dbraw/zinc/43/08/78/540430878.db2.gz	SILJDZLOXBZJLC-UHFFFAOYSA-N	1	1	369.494	2.475	20	30		FEEDMO
CCCCCNC(=O)C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000051800269	540445028	/nfs/dbraw/zinc/44/50/28/540445028.db2.gz	CYBBMHAXGUOURE-UHFFFAOYSA-N	1	1	362.518	2.347	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1	ZINC000057666546	540806752	/nfs/dbraw/zinc/80/67/52/540806752.db2.gz	VTACDIBHHQEXGA-HNNXBMFYSA-N	1	1	356.470	2.434	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H]3CC(C)(C)C)CC2)o1	ZINC000057863209	540820451	/nfs/dbraw/zinc/82/04/51/540820451.db2.gz	HSMCSPOIPFWEPU-INIZCTEOSA-N	1	1	373.501	2.404	20	30		FEEDMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC(C#N)CC2)CC1	ZINC000057874986	540821587	/nfs/dbraw/zinc/82/15/87/540821587.db2.gz	LOXHXJJEHWBKNA-UHFFFAOYSA-N	1	1	354.498	2.265	20	30		FEEDMO
CC(C)[N@@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccc(C#N)cc1	ZINC000063751188	541183936	/nfs/dbraw/zinc/18/39/36/541183936.db2.gz	JDKLRQRDJPRMOQ-UHFFFAOYSA-N	1	1	354.410	2.388	20	30		FEEDMO
CCN(CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)C[C@H](C)C#N	ZINC000066424128	541316606	/nfs/dbraw/zinc/31/66/06/541316606.db2.gz	BIABGSDCTZUXIK-GOSISDBHSA-N	1	1	372.513	2.211	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1	ZINC000067345261	541446950	/nfs/dbraw/zinc/44/69/50/541446950.db2.gz	RCMSJRODERWVFN-GJZGRUSLSA-N	1	1	372.469	2.132	20	30		FEEDMO
N#Cc1c(F)cccc1-n1ccc(NC(=O)NCC[NH+]2CCSCC2)n1	ZINC000542836968	541483636	/nfs/dbraw/zinc/48/36/36/541483636.db2.gz	CXKAMXACEVEAAQ-UHFFFAOYSA-N	1	1	374.445	2.053	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)[C@@H]2C1	ZINC000542839637	541484084	/nfs/dbraw/zinc/48/40/84/541484084.db2.gz	IQTSYVBHWZPNDX-SUMWQHHRSA-N	1	1	368.416	2.441	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[N@H+]1C	ZINC000542838651	541484645	/nfs/dbraw/zinc/48/46/45/541484645.db2.gz	MWMDCBAFBLDSGZ-STQMWFEESA-N	1	1	356.405	2.487	20	30		FEEDMO
C[N@H+](CC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCSC1	ZINC000542999929	541516983	/nfs/dbraw/zinc/51/69/83/541516983.db2.gz	NUAGYARZVAOMOW-CYBMUJFWSA-N	1	1	359.430	2.259	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@@H]1CCSC1	ZINC000542999929	541516985	/nfs/dbraw/zinc/51/69/85/541516985.db2.gz	NUAGYARZVAOMOW-CYBMUJFWSA-N	1	1	359.430	2.259	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)COc2ccccc2OCC(F)(F)F)CC1	ZINC000067923232	541528854	/nfs/dbraw/zinc/52/88/54/541528854.db2.gz	PESKVOPCPBSJJP-UHFFFAOYSA-N	1	1	370.371	2.174	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)CC1	ZINC000068813851	541631235	/nfs/dbraw/zinc/63/12/35/541631235.db2.gz	DBYUQXNFAVNRBR-IBGZPJMESA-N	1	1	361.449	2.271	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)CC1	ZINC000068813851	541631239	/nfs/dbraw/zinc/63/12/39/541631239.db2.gz	DBYUQXNFAVNRBR-IBGZPJMESA-N	1	1	361.449	2.271	20	30		FEEDMO
CC(C)[N@H+]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000069080661	541655475	/nfs/dbraw/zinc/65/54/75/541655475.db2.gz	RBLUDNYHYAWCKL-UHFFFAOYSA-N	1	1	366.469	2.099	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000544637450	541798418	/nfs/dbraw/zinc/79/84/18/541798418.db2.gz	GWWWIOGILMNMOS-CHWSQXEVSA-N	1	1	356.405	2.439	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000544637452	541798462	/nfs/dbraw/zinc/79/84/62/541798462.db2.gz	GWWWIOGILMNMOS-QWHCGFSZSA-N	1	1	356.405	2.439	20	30		FEEDMO
CC[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1	ZINC000545403932	541961236	/nfs/dbraw/zinc/96/12/36/541961236.db2.gz	FOUXUFIJUAJYTK-LJQANCHMSA-N	1	1	363.465	2.488	20	30		FEEDMO
N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)COCc2ccco2)CC1	ZINC000076199773	542242855	/nfs/dbraw/zinc/24/28/55/542242855.db2.gz	XWARBFOCHXKKIU-SFHVURJKSA-N	1	1	355.438	2.241	20	30		FEEDMO
CO[C@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000076345425	542265991	/nfs/dbraw/zinc/26/59/91/542265991.db2.gz	DDNGKSYUPIKJRE-INIZCTEOSA-N	1	1	354.372	2.284	20	30		FEEDMO
CO[C@H]1CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000076345425	542265994	/nfs/dbraw/zinc/26/59/94/542265994.db2.gz	DDNGKSYUPIKJRE-INIZCTEOSA-N	1	1	354.372	2.284	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000076980432	542337201	/nfs/dbraw/zinc/33/72/01/542337201.db2.gz	PYCSPVZXZIBYNQ-LJQANCHMSA-N	1	1	356.470	2.201	20	30		FEEDMO
CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1C	ZINC000083737847	542703745	/nfs/dbraw/zinc/70/37/45/542703745.db2.gz	NGTVHMVNZDMVBY-ROUUACIJSA-N	1	1	366.469	2.467	20	30		FEEDMO
N#CCC[C@@H](NC1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1	ZINC000090665461	542788550	/nfs/dbraw/zinc/78/85/50/542788550.db2.gz	VYEGRYLOLRZLJH-OAQYLSRUSA-N	1	1	356.514	2.418	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc(OC)c1O	ZINC000091897418	542831551	/nfs/dbraw/zinc/83/15/51/542831551.db2.gz	ABUZJDCLGFDCCD-MRXNPFEDSA-N	1	1	368.499	2.031	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc(OC)c1O	ZINC000091897418	542831552	/nfs/dbraw/zinc/83/15/52/542831552.db2.gz	ABUZJDCLGFDCCD-MRXNPFEDSA-N	1	1	368.499	2.031	20	30		FEEDMO
N#Cc1ccc(OC2CCC(NC(=O)N3CC[NH+](C4CC4)CC3)CC2)nc1	ZINC000092408678	542862591	/nfs/dbraw/zinc/86/25/91/542862591.db2.gz	DVBQVDVRGSJXQE-UHFFFAOYSA-N	1	1	369.469	2.133	20	30		FEEDMO
Cc1ocnc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000092522986	542868676	/nfs/dbraw/zinc/86/86/76/542868676.db2.gz	OGDBBLVUMJYWQO-UHFFFAOYSA-N	1	1	353.426	2.272	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CC[C@H](N3CCN(CC)CC3)C2)cc1OC	ZINC000093133055	542910864	/nfs/dbraw/zinc/91/08/64/542910864.db2.gz	BIONJQAQXLCZPE-IBGZPJMESA-N	1	1	359.514	2.472	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CC[C@H](N3CCN(CC)CC3)C2)cc1OC	ZINC000093133055	542910869	/nfs/dbraw/zinc/91/08/69/542910869.db2.gz	BIONJQAQXLCZPE-IBGZPJMESA-N	1	1	359.514	2.472	20	30		FEEDMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000093281515	542923905	/nfs/dbraw/zinc/92/39/05/542923905.db2.gz	SBTBFFCYKHUKOZ-IRXDYDNUSA-N	1	1	360.454	2.209	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCc1ccc(Br)cc1	ZINC000106861800	543250928	/nfs/dbraw/zinc/25/09/28/543250928.db2.gz	JSDFBUBRERGAJR-GFCCVEGCSA-N	1	1	368.275	2.324	20	30		FEEDMO
C#CCOc1cccc(NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1	ZINC000108520010	543292510	/nfs/dbraw/zinc/29/25/10/543292510.db2.gz	AOYZFTYERDKSGF-LJQANCHMSA-N	1	1	358.486	2.092	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)O[C@H]1CC[N@H+](CCF)C1	ZINC000802241207	674172826	/nfs/dbraw/zinc/17/28/26/674172826.db2.gz	YRMAQRBCQJBHPB-HNNXBMFYSA-N	1	1	350.390	2.313	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)O[C@H]1CC[N@@H+](CCF)C1	ZINC000802241207	674172829	/nfs/dbraw/zinc/17/28/29/674172829.db2.gz	YRMAQRBCQJBHPB-HNNXBMFYSA-N	1	1	350.390	2.313	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1	ZINC000111267102	543390545	/nfs/dbraw/zinc/39/05/45/543390545.db2.gz	ZPABYRHWGLBJFG-QGZVFWFLSA-N	1	1	356.470	2.008	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)N1CC[NH+](C)CC1	ZINC000112511905	543450394	/nfs/dbraw/zinc/45/03/94/543450394.db2.gz	DZXKQVDGHUPZFA-LBPRGKRZSA-N	1	1	370.375	2.074	20	30		FEEDMO
CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)CS(C)(=O)=O	ZINC000112704717	543458980	/nfs/dbraw/zinc/45/89/80/543458980.db2.gz	JCFSTIDQPGJHOK-LBPRGKRZSA-N	1	1	371.890	2.295	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)CS(C)(=O)=O	ZINC000112704717	543458982	/nfs/dbraw/zinc/45/89/82/543458982.db2.gz	JCFSTIDQPGJHOK-LBPRGKRZSA-N	1	1	371.890	2.295	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)cc1	ZINC000114194904	543507705	/nfs/dbraw/zinc/50/77/05/543507705.db2.gz	PADZSISTPMNROW-HNNXBMFYSA-N	1	1	369.450	2.446	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C(=O)Nc2nccs2)cc1	ZINC000114194904	543507707	/nfs/dbraw/zinc/50/77/07/543507707.db2.gz	PADZSISTPMNROW-HNNXBMFYSA-N	1	1	369.450	2.446	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C	ZINC000118105486	543645686	/nfs/dbraw/zinc/64/56/86/543645686.db2.gz	LQHZXCFFSGADRQ-KGLIPLIRSA-N	1	1	360.483	2.087	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)[N@@H+](C)C1CC1	ZINC000118128972	543647606	/nfs/dbraw/zinc/64/76/06/543647606.db2.gz	FZHYSVQCKCNGCB-ZDUSSCGKSA-N	1	1	360.483	2.230	20	30		FEEDMO
C#CCOc1cccc(NC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)c1	ZINC000118821251	543659777	/nfs/dbraw/zinc/65/97/77/543659777.db2.gz	BPVONZWKLITJEH-KRWDZBQOSA-N	1	1	358.486	2.094	20	30		FEEDMO
C[C@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)c1ccc(C#N)cc1	ZINC000120075384	543675365	/nfs/dbraw/zinc/67/53/65/543675365.db2.gz	SCVRTPSFIBNPGI-ZDUSSCGKSA-N	1	1	358.405	2.304	20	30		FEEDMO
C=CCCOCCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1	ZINC000122954111	543733559	/nfs/dbraw/zinc/73/35/59/543733559.db2.gz	MSSHPERFJQULNS-KRWDZBQOSA-N	1	1	361.486	2.299	20	30		FEEDMO
C=CCCOCCNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1	ZINC000122954111	543733562	/nfs/dbraw/zinc/73/35/62/543733562.db2.gz	MSSHPERFJQULNS-KRWDZBQOSA-N	1	1	361.486	2.299	20	30		FEEDMO
COCC[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(C#N)cc1	ZINC000124397480	543818738	/nfs/dbraw/zinc/81/87/38/543818738.db2.gz	FVBKJKNZJUQLOL-UHFFFAOYSA-N	1	1	372.494	2.500	20	30		FEEDMO
COCC[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(C#N)cc1	ZINC000124397480	543818742	/nfs/dbraw/zinc/81/87/42/543818742.db2.gz	FVBKJKNZJUQLOL-UHFFFAOYSA-N	1	1	372.494	2.500	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[N@@H+]1C1CC1	ZINC000124010379	543796158	/nfs/dbraw/zinc/79/61/58/543796158.db2.gz	GCABBARAYGEKBL-PWSUYJOCSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[N@H+]1C1CC1	ZINC000124010379	543796160	/nfs/dbraw/zinc/79/61/60/543796160.db2.gz	GCABBARAYGEKBL-PWSUYJOCSA-N	1	1	373.400	2.481	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1Cl	ZINC000125449852	543882720	/nfs/dbraw/zinc/88/27/20/543882720.db2.gz	VKUJQYWRGALCIB-CJNGLKHVSA-N	1	1	360.845	2.141	20	30		FEEDMO
C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1	ZINC000126280903	543927737	/nfs/dbraw/zinc/92/77/37/543927737.db2.gz	GLSMIXRLZZQBIB-QGZVFWFLSA-N	1	1	359.449	2.331	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[N@H+]1C1CC1	ZINC000127834459	544016043	/nfs/dbraw/zinc/01/60/43/544016043.db2.gz	AZBPLNZRKPIONS-GDBMZVCRSA-N	1	1	371.460	2.154	20	30		FEEDMO
COCCC1(CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CC1	ZINC000127847898	544017186	/nfs/dbraw/zinc/01/71/86/544017186.db2.gz	LETCTDXVAXBPQZ-UHFFFAOYSA-N	1	1	354.454	2.463	20	30		FEEDMO
N#Cc1ccc(C(F)(F)F)c(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1	ZINC000127996165	544026797	/nfs/dbraw/zinc/02/67/97/544026797.db2.gz	ANWJGJRPNNLRRT-HNNXBMFYSA-N	1	1	366.387	2.496	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2OC(F)F)CC1	ZINC000127354982	543987462	/nfs/dbraw/zinc/98/74/62/543987462.db2.gz	REKVXKYZDQJGIO-AWEZNQCLSA-N	1	1	351.397	2.256	20	30		FEEDMO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000128202623	544038710	/nfs/dbraw/zinc/03/87/10/544038710.db2.gz	FCRQCYYCQOACSC-INMHGKMJSA-N	1	1	372.469	2.043	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000129827007	544128467	/nfs/dbraw/zinc/12/84/67/544128467.db2.gz	GTNIQHKFGPTOSG-UHFFFAOYSA-N	1	1	359.817	2.252	20	30		FEEDMO
C=CCC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1ccccc1	ZINC000131060122	544176010	/nfs/dbraw/zinc/17/60/10/544176010.db2.gz	ZQWYJSDAVAGPJW-UYAOXDASSA-N	1	1	361.486	2.076	20	30		FEEDMO
C=C[C@H](CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1)c1ccccc1	ZINC000134564700	544312831	/nfs/dbraw/zinc/31/28/31/544312831.db2.gz	NRONAFDYMSBTJI-MJGOQNOKSA-N	1	1	355.482	2.111	20	30		FEEDMO
Cc1ccccc1NC(=O)CC[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000247505673	549346470	/nfs/dbraw/zinc/34/64/70/549346470.db2.gz	XXLURXKRZBXURJ-MRXNPFEDSA-N	1	1	364.453	2.196	20	30		FEEDMO
Cc1ccccc1NC(=O)CC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000247505673	549346472	/nfs/dbraw/zinc/34/64/72/549346472.db2.gz	XXLURXKRZBXURJ-MRXNPFEDSA-N	1	1	364.453	2.196	20	30		FEEDMO
C=C(C)COCCNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000135022590	544331559	/nfs/dbraw/zinc/33/15/59/544331559.db2.gz	FLFBCFPUCXWTQW-CALCHBBNSA-N	1	1	353.507	2.110	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccccc2COC2CCOCC2)CC1	ZINC000135231384	544338893	/nfs/dbraw/zinc/33/88/93/544338893.db2.gz	XTJUTOUMNYZUQZ-UHFFFAOYSA-N	1	1	356.466	2.163	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000247508716	549348109	/nfs/dbraw/zinc/34/81/09/549348109.db2.gz	MZFDZRFJFKVREQ-WFASDCNBSA-N	1	1	353.875	2.316	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO	ZINC000152196801	544624103	/nfs/dbraw/zinc/62/41/03/544624103.db2.gz	RKMPQDZFVLUDTR-QUCCMNQESA-N	1	1	373.497	2.315	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1	ZINC000152403283	544648648	/nfs/dbraw/zinc/64/86/48/544648648.db2.gz	OGLUKDGCPLHBPS-WMZOPIPTSA-N	1	1	367.453	2.104	20	30		FEEDMO
C[C@H](O)CC(C)(C)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+]	ZINC000154007016	544851833	/nfs/dbraw/zinc/85/18/33/544851833.db2.gz	JHYANXPDKRNBBN-ZDUSSCGKSA-N	1	1	356.470	2.443	20	30		FEEDMO
N#Cc1cccc(NCC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1	ZINC000154593192	544926774	/nfs/dbraw/zinc/92/67/74/544926774.db2.gz	GSDZKPPUXNKWIK-UHFFFAOYSA-N	1	1	364.449	2.484	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000552472204	674211228	/nfs/dbraw/zinc/21/12/28/674211228.db2.gz	BNLVHESAZZDRKX-LBPRGKRZSA-N	1	1	367.902	2.269	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CC[N@@H+]1CCO	ZINC000187274833	328012392	/nfs/dbraw/zinc/01/23/92/328012392.db2.gz	ZBAMTKBYYGCXQS-MRXNPFEDSA-N	1	1	365.433	2.489	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CC[N@H+]1CCO	ZINC000187274833	328012393	/nfs/dbraw/zinc/01/23/93/328012393.db2.gz	ZBAMTKBYYGCXQS-MRXNPFEDSA-N	1	1	365.433	2.489	20	30		FEEDMO
C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CC[N@@H+]1CCO	ZINC000187274853	328012480	/nfs/dbraw/zinc/01/24/80/328012480.db2.gz	ZBAMTKBYYGCXQS-INIZCTEOSA-N	1	1	365.433	2.489	20	30		FEEDMO
C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CC[N@H+]1CCO	ZINC000187274853	328012481	/nfs/dbraw/zinc/01/24/81/328012481.db2.gz	ZBAMTKBYYGCXQS-INIZCTEOSA-N	1	1	365.433	2.489	20	30		FEEDMO
Cc1nc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1C#N	ZINC000192220137	328307541	/nfs/dbraw/zinc/30/75/41/328307541.db2.gz	LSPLPZAAQDZMKN-LJQANCHMSA-N	1	1	364.449	2.283	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F	ZINC000192987395	328350703	/nfs/dbraw/zinc/35/07/03/328350703.db2.gz	UXXXUOTUVGZPPX-MRXNPFEDSA-N	1	1	373.453	2.498	20	30		FEEDMO
N#Cc1ccc(F)c(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000080790289	325144176	/nfs/dbraw/zinc/14/41/76/325144176.db2.gz	MXGYTLVBBAEOBT-UHFFFAOYSA-N	1	1	366.440	2.131	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H]1CCSC1	ZINC000089936671	325342865	/nfs/dbraw/zinc/34/28/65/325342865.db2.gz	VJEAEDKOAVGTHE-OAHLLOKOSA-N	1	1	364.515	2.389	20	30		FEEDMO
Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943593	325343683	/nfs/dbraw/zinc/34/36/83/325343683.db2.gz	MPKCJSIXZGIINZ-GFCCVEGCSA-N	1	1	358.421	2.203	20	30		FEEDMO
Cc1ccccc1Cc1noc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)n1	ZINC000089942552	325344064	/nfs/dbraw/zinc/34/40/64/325344064.db2.gz	PXZSEPBTINVQKG-UHFFFAOYSA-N	1	1	365.441	2.210	20	30		FEEDMO
Cc1ccccc1Cc1noc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)n1	ZINC000089942552	325344066	/nfs/dbraw/zinc/34/40/66/325344066.db2.gz	PXZSEPBTINVQKG-UHFFFAOYSA-N	1	1	365.441	2.210	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1	ZINC000102936435	325502209	/nfs/dbraw/zinc/50/22/09/325502209.db2.gz	XQQXTXAWMIYNDE-HXUWFJFHSA-N	1	1	374.444	2.008	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1ccccc1C#N	ZINC000116251606	326002089	/nfs/dbraw/zinc/00/20/89/326002089.db2.gz	ZUTJQBFXYDPZKL-APWZRJJASA-N	1	1	364.449	2.359	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1C#N	ZINC000119207823	326137711	/nfs/dbraw/zinc/13/77/11/326137711.db2.gz	BNWFQMVDUXKOMG-CJNGLKHVSA-N	1	1	370.453	2.025	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1C#N	ZINC000119441632	326162921	/nfs/dbraw/zinc/16/29/21/326162921.db2.gz	LFGVRBJVFQDEAE-YOEHRIQHSA-N	1	1	372.469	2.083	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)[C@H](C)C1	ZINC000119766952	326196014	/nfs/dbraw/zinc/19/60/14/326196014.db2.gz	HYXXLLXIRSJCMC-MLGOLLRUSA-N	1	1	362.861	2.339	20	30		FEEDMO
C[C@H]1CCC[N@H+]1C1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000121703204	326359538	/nfs/dbraw/zinc/35/95/38/326359538.db2.gz	ZXYMTIRDXXRHQN-ZDUSSCGKSA-N	1	1	358.417	2.111	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c(F)c1	ZINC000135670703	326646250	/nfs/dbraw/zinc/64/62/50/326646250.db2.gz	WWCTYQDRIFIASL-INIZCTEOSA-N	1	1	370.384	2.182	20	30		FEEDMO
COc1c(C)c[nH+]c(CN2CCN(c3nccnc3C#N)C[C@@H]2C)c1C	ZINC000155682314	326799975	/nfs/dbraw/zinc/79/99/75/326799975.db2.gz	ZPFIMRGWHNRPLN-AWEZNQCLSA-N	1	1	352.442	2.079	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cccc(C#N)c1	ZINC000162387527	327024569	/nfs/dbraw/zinc/02/45/69/327024569.db2.gz	DNPFHZXHBFJMIP-BEFAXECRSA-N	1	1	355.463	2.357	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1	ZINC000162588558	327029240	/nfs/dbraw/zinc/02/92/40/327029240.db2.gz	VVOVXEXXZOFCRY-UHFFFAOYSA-N	1	1	361.446	2.436	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)C[NH+]1CCOCC1	ZINC000163359103	327049659	/nfs/dbraw/zinc/04/96/59/327049659.db2.gz	LZCGSLXCYNXOJF-KRWDZBQOSA-N	1	1	358.486	2.447	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1	ZINC000163631992	327055406	/nfs/dbraw/zinc/05/54/06/327055406.db2.gz	ANXVBGSAQGFJHG-KRWDZBQOSA-N	1	1	372.513	2.280	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccc1F	ZINC000173866916	327289909	/nfs/dbraw/zinc/28/99/09/327289909.db2.gz	GEQLEGGXAVKGEA-OAHLLOKOSA-N	1	1	351.447	2.240	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)c1occc1COc1cccc(C#N)c1	ZINC000266139421	329194132	/nfs/dbraw/zinc/19/41/32/329194132.db2.gz	GLTVTVYFRARTCF-UHFFFAOYSA-N	1	1	371.437	2.428	20	30		FEEDMO
N#Cc1c(C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cn2ccccc12	ZINC000275125079	330013148	/nfs/dbraw/zinc/01/31/48/330013148.db2.gz	QQLRLJBOKNVUNK-LBPRGKRZSA-N	1	1	350.344	2.311	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C)C1	ZINC000276211305	330129569	/nfs/dbraw/zinc/12/95/69/330129569.db2.gz	ZYEMVDHRAPEZFF-BLLLJJGKSA-N	1	1	362.861	2.339	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)o1	ZINC000276415343	330149736	/nfs/dbraw/zinc/14/97/36/330149736.db2.gz	JBHRHMMEJDIWDQ-CJNGLKHVSA-N	1	1	359.474	2.012	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC2)o1	ZINC000276470117	330155529	/nfs/dbraw/zinc/15/55/29/330155529.db2.gz	QFAJOBCYHKUTQY-AEFFLSMTSA-N	1	1	371.485	2.014	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1	ZINC000367079013	330214507	/nfs/dbraw/zinc/21/45/07/330214507.db2.gz	RLUIQWNPPNLVOS-HOTGVXAUSA-N	1	1	358.442	2.332	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1	ZINC000367079013	330214509	/nfs/dbraw/zinc/21/45/09/330214509.db2.gz	RLUIQWNPPNLVOS-HOTGVXAUSA-N	1	1	358.442	2.332	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Cc3ccccc3)C2)nc1	ZINC000554737730	674333446	/nfs/dbraw/zinc/33/34/46/674333446.db2.gz	QYKRVZINPWKRAN-KRWDZBQOSA-N	1	1	355.463	2.292	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Cc3ccccc3)C2)nc1	ZINC000554737730	674333450	/nfs/dbraw/zinc/33/34/50/674333450.db2.gz	QYKRVZINPWKRAN-KRWDZBQOSA-N	1	1	355.463	2.292	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000805795834	674354574	/nfs/dbraw/zinc/35/45/74/674354574.db2.gz	XBDBYQRNYHPZCT-DNVCBOLYSA-N	1	1	351.491	2.400	20	30		FEEDMO
CN(CC(=O)NCc1cccnc1)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000328622254	522405103	/nfs/dbraw/zinc/40/51/03/522405103.db2.gz	BARYSYFWJZHXDV-FXAWDEMLSA-N	1	1	370.501	2.287	20	30		FEEDMO
Cn1cc([C@H]2[C@H](C[N@H+](C)CC(=O)NCc3cccnc3)CCCN2C)cn1	ZINC000328622254	522405119	/nfs/dbraw/zinc/40/51/19/522405119.db2.gz	BARYSYFWJZHXDV-FXAWDEMLSA-N	1	1	370.501	2.287	20	30		FEEDMO
Cn1cc([C@H]2[C@H](C[N@@H+](C)CC(=O)NCc3cccnc3)CCCN2C)cn1	ZINC000328622254	522405123	/nfs/dbraw/zinc/40/51/23/522405123.db2.gz	BARYSYFWJZHXDV-FXAWDEMLSA-N	1	1	370.501	2.287	20	30		FEEDMO
Cn1cc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)c(C(F)(F)F)n1	ZINC000155293460	545507015	/nfs/dbraw/zinc/50/70/15/545507015.db2.gz	KQTARWOAXNRNSB-CQSZACIVSA-N	1	1	368.359	2.182	20	30		FEEDMO
Cn1cc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)c(C(F)(F)F)n1	ZINC000155293460	545507017	/nfs/dbraw/zinc/50/70/17/545507017.db2.gz	KQTARWOAXNRNSB-CQSZACIVSA-N	1	1	368.359	2.182	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc2C1=O	ZINC000155399233	545521203	/nfs/dbraw/zinc/52/12/03/545521203.db2.gz	VCFAUBLLUKYJFZ-YJBOKZPZSA-N	1	1	367.449	2.025	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000157042763	545693547	/nfs/dbraw/zinc/69/35/47/545693547.db2.gz	CAURIPBMMCPHKF-QFBILLFUSA-N	1	1	356.470	2.072	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000157042763	545693552	/nfs/dbraw/zinc/69/35/52/545693552.db2.gz	CAURIPBMMCPHKF-QFBILLFUSA-N	1	1	356.470	2.072	20	30		FEEDMO
CCCc1[nH+]ccn1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000158021561	545812398	/nfs/dbraw/zinc/81/23/98/545812398.db2.gz	MBHGCEAOFPRMCG-GOSISDBHSA-N	1	1	369.444	2.384	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1	ZINC000158893777	545903576	/nfs/dbraw/zinc/90/35/76/545903576.db2.gz	IHAYAKFLONBRHD-SIKLNZKXSA-N	1	1	364.445	2.472	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1	ZINC000158893777	545903579	/nfs/dbraw/zinc/90/35/79/545903579.db2.gz	IHAYAKFLONBRHD-SIKLNZKXSA-N	1	1	364.445	2.472	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000159595467	545965684	/nfs/dbraw/zinc/96/56/84/545965684.db2.gz	QYGLAZOIBMWIEX-RMKNXTFCSA-N	1	1	371.481	2.419	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1	ZINC000170775587	546176795	/nfs/dbraw/zinc/17/67/95/546176795.db2.gz	ATOCCMWKIGTBAX-AWEZNQCLSA-N	1	1	374.485	2.099	20	30		FEEDMO
COc1cccc([C@@H](C)[NH+]2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)c1	ZINC000171705967	546219536	/nfs/dbraw/zinc/21/95/36/546219536.db2.gz	NOPLQDNFRSEZDO-SJORKVTESA-N	1	1	358.486	2.134	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)NC[C@H](C(CC)CC)N2CCOCC2)CC1	ZINC000171707866	546219607	/nfs/dbraw/zinc/21/96/07/546219607.db2.gz	OXOCVXTWLRFDBS-LJQANCHMSA-N	1	1	366.550	2.073	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CCN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	ZINC000176889933	546501838	/nfs/dbraw/zinc/50/18/38/546501838.db2.gz	QVRIBRWHKKNPNO-NLWGTHIKSA-N	1	1	373.522	2.138	20	30		FEEDMO
CC(C)(CNS(=O)(=O)c1c(F)cc(C#N)cc1F)C[NH+]1CCCC1	ZINC000480754646	561216052	/nfs/dbraw/zinc/21/60/52/561216052.db2.gz	DJZBPVNQLNYHRC-UHFFFAOYSA-N	1	1	357.426	2.237	20	30		FEEDMO
C=CCCCC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000177817775	546691507	/nfs/dbraw/zinc/69/15/07/546691507.db2.gz	CODAKBDIFHCPAL-UHFFFAOYSA-N	1	1	365.499	2.308	20	30		FEEDMO
C=CCCCC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000177817775	546691510	/nfs/dbraw/zinc/69/15/10/546691510.db2.gz	CODAKBDIFHCPAL-UHFFFAOYSA-N	1	1	365.499	2.308	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000178042747	546728157	/nfs/dbraw/zinc/72/81/57/546728157.db2.gz	LYVMEBZUABEZJV-QZTJIDSGSA-N	1	1	370.497	2.137	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000481132557	561225911	/nfs/dbraw/zinc/22/59/11/561225911.db2.gz	XKEVSYTVPAMXTM-MSOLQXFVSA-N	1	1	357.498	2.438	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000481782577	561242115	/nfs/dbraw/zinc/24/21/15/561242115.db2.gz	YGLYBVZETQDAIJ-HOTGVXAUSA-N	1	1	363.527	2.499	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCC[C@@H](OCCO)C2)c(-c2ccccc2)n1	ZINC000179571259	546979699	/nfs/dbraw/zinc/97/96/99/546979699.db2.gz	MJCCAYVWIAQREY-LJQANCHMSA-N	1	1	354.454	2.437	20	30		FEEDMO
C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000181250850	547279689	/nfs/dbraw/zinc/27/96/89/547279689.db2.gz	AYJCXLKLAACBTK-AWEZNQCLSA-N	1	1	353.488	2.208	20	30		FEEDMO
C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000181250850	547279693	/nfs/dbraw/zinc/27/96/93/547279693.db2.gz	AYJCXLKLAACBTK-AWEZNQCLSA-N	1	1	353.488	2.208	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000181306691	547291181	/nfs/dbraw/zinc/29/11/81/547291181.db2.gz	VPCIJSXJJBGSPJ-KRWDZBQOSA-N	1	1	366.469	2.413	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000483497620	561278366	/nfs/dbraw/zinc/27/83/66/561278366.db2.gz	UVIHFRQYXJOCDZ-DOTOQJQBSA-N	1	1	359.470	2.304	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCCOCC3)CC2)cc1	ZINC000181800327	547383979	/nfs/dbraw/zinc/38/39/79/547383979.db2.gz	RXKDFJCGNDMKKJ-IBGZPJMESA-N	1	1	356.470	2.345	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCOCC2(CCOCC2)C1	ZINC000184119961	547772216	/nfs/dbraw/zinc/77/22/16/547772216.db2.gz	PXDVAHGMSJUEMG-GOSISDBHSA-N	1	1	371.481	2.451	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOCC2(CCOCC2)C1	ZINC000184119961	547772221	/nfs/dbraw/zinc/77/22/21/547772221.db2.gz	PXDVAHGMSJUEMG-GOSISDBHSA-N	1	1	371.481	2.451	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000186742281	548184016	/nfs/dbraw/zinc/18/40/16/548184016.db2.gz	BTBOJKVYPRWGDQ-AWEZNQCLSA-N	1	1	361.490	2.424	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCCC[C@H]1C	ZINC000187205515	548253158	/nfs/dbraw/zinc/25/31/58/548253158.db2.gz	YJJORVIXJASFAS-MRXNPFEDSA-N	1	1	357.454	2.018	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)NCCCCN1CC[NH+](CC)CC1	ZINC000188030719	548269441	/nfs/dbraw/zinc/26/94/41/548269441.db2.gz	AAGPHLJFKMUELH-UHFFFAOYSA-N	1	1	358.486	2.238	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH+]1CCC(c2nc3cccc(C)c3o2)CC1	ZINC000189802207	548311006	/nfs/dbraw/zinc/31/10/06/548311006.db2.gz	LICZVYWAPVJPIE-UHFFFAOYSA-N	1	1	356.426	2.327	20	30		FEEDMO
C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000486560359	561350803	/nfs/dbraw/zinc/35/08/03/561350803.db2.gz	NWCDWHKCJFVKEL-VGSWGCGISA-N	1	1	363.461	2.415	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](CC(N)=O)C1	ZINC000245409469	548910215	/nfs/dbraw/zinc/91/02/15/548910215.db2.gz	MLMMTJJUCFTUEN-RYUDHWBXSA-N	1	1	360.483	2.023	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](CC(N)=O)C1	ZINC000245409469	548910219	/nfs/dbraw/zinc/91/02/19/548910219.db2.gz	MLMMTJJUCFTUEN-RYUDHWBXSA-N	1	1	360.483	2.023	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000245435893	548918499	/nfs/dbraw/zinc/91/84/99/548918499.db2.gz	QROYNVYTOCAAFN-DLBZAZTESA-N	1	1	363.483	2.174	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000245582475	548951417	/nfs/dbraw/zinc/95/14/17/548951417.db2.gz	CYUHXLORCFLQCH-LPHOPBHVSA-N	1	1	366.465	2.362	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccccc1	ZINC000245677795	548972213	/nfs/dbraw/zinc/97/22/13/548972213.db2.gz	UIOMPHOOPRTABH-QZTJIDSGSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccccc1	ZINC000245677795	548972218	/nfs/dbraw/zinc/97/22/18/548972218.db2.gz	UIOMPHOOPRTABH-QZTJIDSGSA-N	1	1	359.426	2.421	20	30		FEEDMO
N#Cc1ccc(CCC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1	ZINC000245860056	549005243	/nfs/dbraw/zinc/00/52/43/549005243.db2.gz	KQDDSZXZXADTQS-SFTDATJTSA-N	1	1	363.461	2.242	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+](CCO)Cc1cccc(Br)c1	ZINC000488152500	561384623	/nfs/dbraw/zinc/38/46/23/561384623.db2.gz	QNNCCIGJZPAEPJ-UHFFFAOYSA-N	1	1	368.275	2.006	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](CCO)Cc1cccc(Br)c1	ZINC000488152500	561384624	/nfs/dbraw/zinc/38/46/24/561384624.db2.gz	QNNCCIGJZPAEPJ-UHFFFAOYSA-N	1	1	368.275	2.006	20	30		FEEDMO
CCC[C@H]1CN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000245931864	549021996	/nfs/dbraw/zinc/02/19/96/549021996.db2.gz	PMFNESIECFCYMF-RBUKOAKNSA-N	1	1	359.470	2.205	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000246086342	549048656	/nfs/dbraw/zinc/04/86/56/549048656.db2.gz	CFTLPDXSNCUGMX-DOTOQJQBSA-N	1	1	374.460	2.261	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(Nc2c(C#N)cnc3c(F)cc(F)cc32)CC1	ZINC000488349656	561388475	/nfs/dbraw/zinc/38/84/75/561388475.db2.gz	RFQMTCMBHKSJPA-UHFFFAOYSA-N	1	1	359.380	2.007	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@H]1O	ZINC000246247074	549087687	/nfs/dbraw/zinc/08/76/87/549087687.db2.gz	GOXIVMWRAMRANO-XYJFISCASA-N	1	1	359.470	2.423	20	30		FEEDMO
CC(C)CN1C[C@H]2C[N@H+](CCCOc3cccc(C#N)c3)CCN2C1=O	ZINC000488749483	561396049	/nfs/dbraw/zinc/39/60/49/561396049.db2.gz	RWZMRQGGIBTAKZ-GOSISDBHSA-N	1	1	356.470	2.405	20	30		FEEDMO
CC(C)CN1C[C@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CCN2C1=O	ZINC000488749483	561396050	/nfs/dbraw/zinc/39/60/50/561396050.db2.gz	RWZMRQGGIBTAKZ-GOSISDBHSA-N	1	1	356.470	2.405	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](OCCO)C2)c1	ZINC000246696200	549191358	/nfs/dbraw/zinc/19/13/58/549191358.db2.gz	DJFKDBJKFQKCDE-AZUAARDMSA-N	1	1	373.497	2.412	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H](OCCO)C2)c1	ZINC000246696200	549191361	/nfs/dbraw/zinc/19/13/61/549191361.db2.gz	DJFKDBJKFQKCDE-AZUAARDMSA-N	1	1	373.497	2.412	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)CNc3ccc(C#N)cc3)CC2)nc(C)[nH+]1	ZINC000488778767	561396846	/nfs/dbraw/zinc/39/68/46/561396846.db2.gz	DSWYNTFHPGPNDH-UHFFFAOYSA-N	1	1	364.453	2.162	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000246871901	549232713	/nfs/dbraw/zinc/23/27/13/549232713.db2.gz	CZQKIVDXVNDWJF-RDJZCZTQSA-N	1	1	355.438	2.327	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000246871901	549232717	/nfs/dbraw/zinc/23/27/17/549232717.db2.gz	CZQKIVDXVNDWJF-RDJZCZTQSA-N	1	1	355.438	2.327	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000246871913	549233023	/nfs/dbraw/zinc/23/30/23/549233023.db2.gz	CZQKIVDXVNDWJF-WBVHZDCISA-N	1	1	355.438	2.327	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000246871913	549233027	/nfs/dbraw/zinc/23/30/27/549233027.db2.gz	CZQKIVDXVNDWJF-WBVHZDCISA-N	1	1	355.438	2.327	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c(C#N)c1C	ZINC000246903259	549238785	/nfs/dbraw/zinc/23/87/85/549238785.db2.gz	XTWIQCWGGPQWFO-DZGCQCFKSA-N	1	1	356.430	2.099	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c(C#N)c1C	ZINC000246903259	549238787	/nfs/dbraw/zinc/23/87/87/549238787.db2.gz	XTWIQCWGGPQWFO-DZGCQCFKSA-N	1	1	356.430	2.099	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)c2ccnc(C#N)c2)[C@@H](c2ccccc2)C1	ZINC000248821052	549506660	/nfs/dbraw/zinc/50/66/60/549506660.db2.gz	BQJFMRJHKJHWSY-HXUWFJFHSA-N	1	1	363.465	2.062	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)c2ccnc(C#N)c2)[C@@H](c2ccccc2)C1	ZINC000248821052	549506665	/nfs/dbraw/zinc/50/66/65/549506665.db2.gz	BQJFMRJHKJHWSY-HXUWFJFHSA-N	1	1	363.465	2.062	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)c2ccnc(C#N)c2)[C@@H](c2ccccc2)C1	ZINC000248821052	549506669	/nfs/dbraw/zinc/50/66/69/549506669.db2.gz	BQJFMRJHKJHWSY-HXUWFJFHSA-N	1	1	363.465	2.062	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(Cc2cc(C#N)ccc2Br)C[C@@H]1C	ZINC000249053471	549543660	/nfs/dbraw/zinc/54/36/60/549543660.db2.gz	ONPKKEJUHBQUJV-STQMWFEESA-N	1	1	352.276	2.208	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cccc(F)c1C#N	ZINC000489757929	561418452	/nfs/dbraw/zinc/41/84/52/561418452.db2.gz	XZRMFFJBAKJDGL-HNNXBMFYSA-N	1	1	367.428	2.033	20	30		FEEDMO
CC[N@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)[C@H](C)c1ccc(C#N)cc1	ZINC000249812024	549630265	/nfs/dbraw/zinc/63/02/65/549630265.db2.gz	ZRRUPHIVPUZVIX-DLBZAZTESA-N	1	1	370.497	2.458	20	30		FEEDMO
CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)[C@H](C)c1ccc(C#N)cc1	ZINC000249812024	549630267	/nfs/dbraw/zinc/63/02/67/549630267.db2.gz	ZRRUPHIVPUZVIX-DLBZAZTESA-N	1	1	370.497	2.458	20	30		FEEDMO
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000490729036	561437822	/nfs/dbraw/zinc/43/78/22/561437822.db2.gz	KLCIDHZEKOQLSP-WBVHZDCISA-N	1	1	359.474	2.236	20	30		FEEDMO
C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264141118	549984318	/nfs/dbraw/zinc/98/43/18/549984318.db2.gz	ODNVYDIMNWUMEI-HNAYVOBHSA-N	1	1	357.454	2.085	20	30		FEEDMO
N#CC1(c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)CCOCC1	ZINC000265198558	550007488	/nfs/dbraw/zinc/00/74/88/550007488.db2.gz	XEYJIKDPHJQISU-UHFFFAOYSA-N	1	1	354.410	2.141	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@@H+](C)C1CC1	ZINC000265347367	550008847	/nfs/dbraw/zinc/00/88/47/550008847.db2.gz	APPHSBUTOQMHMH-ZDUSSCGKSA-N	1	1	360.483	2.230	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#Cc3ccccn3)c2)C1	ZINC000265469914	550010303	/nfs/dbraw/zinc/01/03/03/550010303.db2.gz	HUWORRDDPCOQIT-HXUWFJFHSA-N	1	1	364.449	2.324	20	30		FEEDMO
CCCc1noc(CO[NH+]=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C)n1	ZINC000266268065	550018816	/nfs/dbraw/zinc/01/88/16/550018816.db2.gz	FZMVNIUEUKAGNU-LLVKDONJSA-N	1	1	355.439	2.314	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1	ZINC000266773634	550023868	/nfs/dbraw/zinc/02/38/68/550023868.db2.gz	XVPGVAQMVSHLMX-LJQANCHMSA-N	1	1	354.454	2.181	20	30		FEEDMO
NS(=O)(=O)C[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000267396797	550030982	/nfs/dbraw/zinc/03/09/82/550030982.db2.gz	PVYUSDBFZWSKAF-CQSZACIVSA-N	1	1	360.401	2.057	20	30		FEEDMO
NS(=O)(=O)C[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000267396797	550030983	/nfs/dbraw/zinc/03/09/83/550030983.db2.gz	PVYUSDBFZWSKAF-CQSZACIVSA-N	1	1	360.401	2.057	20	30		FEEDMO
COc1ccc(CCNC(=O)[C@@H](C)O[NH+]=C(N)C2CCCC2)cc1OC	ZINC000267479392	550032195	/nfs/dbraw/zinc/03/21/95/550032195.db2.gz	XIAXPDZJCPCPPO-CYBMUJFWSA-N	1	1	363.458	2.230	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1	ZINC000267648118	550033425	/nfs/dbraw/zinc/03/34/25/550033425.db2.gz	XALBMYQNAATSLV-UHFFFAOYSA-N	1	1	369.509	2.354	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1	ZINC000267648118	550033428	/nfs/dbraw/zinc/03/34/28/550033428.db2.gz	XALBMYQNAATSLV-UHFFFAOYSA-N	1	1	369.509	2.354	20	30		FEEDMO
C#CCCCCNC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000268381324	550056549	/nfs/dbraw/zinc/05/65/49/550056549.db2.gz	YXBYPDMGZNLEKK-UHFFFAOYSA-N	1	1	358.486	2.119	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1	ZINC000269611851	550210381	/nfs/dbraw/zinc/21/03/81/550210381.db2.gz	YQOLJEHFMZWQPD-KSSFIOAISA-N	1	1	370.428	2.111	20	30		FEEDMO
C=C(C)[C@H](CC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)OCC	ZINC000270139148	550251613	/nfs/dbraw/zinc/25/16/13/550251613.db2.gz	ZSGYNQNDMAPLKF-IBGZPJMESA-N	1	1	373.497	2.313	20	30		FEEDMO
CC(C)[NH+]1CCN(C2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1	ZINC000270432822	550272184	/nfs/dbraw/zinc/27/21/84/550272184.db2.gz	BZPNPBJPMCHJBL-UHFFFAOYSA-N	1	1	357.458	2.461	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)N(CCS(C)(=O)=O)C(C)C)C(C)C	ZINC000271023266	550332823	/nfs/dbraw/zinc/33/28/23/550332823.db2.gz	GLWDZDFNDBMKJV-QGZVFWFLSA-N	1	1	373.563	2.150	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc(OC)c1O	ZINC000271085804	550338931	/nfs/dbraw/zinc/33/89/31/550338931.db2.gz	TUBKSLQBOKISHB-MRXNPFEDSA-N	1	1	368.499	2.033	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc(OC)c1O	ZINC000271085804	550338932	/nfs/dbraw/zinc/33/89/32/550338932.db2.gz	TUBKSLQBOKISHB-MRXNPFEDSA-N	1	1	368.499	2.033	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)CCCn2ccnc2)c(OC)c1	ZINC000271615477	550389896	/nfs/dbraw/zinc/38/98/96/550389896.db2.gz	DBRHFMPNHLLDGR-SFHVURJKSA-N	1	1	359.470	2.382	20	30		FEEDMO
C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)(C#N)CC1	ZINC000272619715	550461231	/nfs/dbraw/zinc/46/12/31/550461231.db2.gz	UORPPRUWURCOJX-HKUYNNGSSA-N	1	1	354.498	2.391	20	30		FEEDMO
C=CCCOCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000272931500	550477107	/nfs/dbraw/zinc/47/71/07/550477107.db2.gz	CHNJKGNPYLDVQL-IBGZPJMESA-N	1	1	361.486	2.035	20	30		FEEDMO
C[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)C1=CC[N@@H+](C)CC1	ZINC000273056279	550482863	/nfs/dbraw/zinc/48/28/63/550482863.db2.gz	XYUREECZYVRPEF-INIZCTEOSA-N	1	1	353.470	2.040	20	30		FEEDMO
C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000273314705	550494177	/nfs/dbraw/zinc/49/41/77/550494177.db2.gz	VGUOPGHVZMPHJC-VQIMIIECSA-N	1	1	354.498	2.417	20	30		FEEDMO
CS(=O)(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000274012634	550519625	/nfs/dbraw/zinc/51/96/25/550519625.db2.gz	AYTFWISSUOVQOS-CQSZACIVSA-N	1	1	369.874	2.049	20	30		FEEDMO
CS(=O)(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000274012634	550519627	/nfs/dbraw/zinc/51/96/27/550519627.db2.gz	AYTFWISSUOVQOS-CQSZACIVSA-N	1	1	369.874	2.049	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N[C@](C)(C#N)C1CC1	ZINC000274838554	550558465	/nfs/dbraw/zinc/55/84/65/550558465.db2.gz	NWUDVWGYZKWGMH-LKUPVBHCSA-N	1	1	354.498	2.295	20	30		FEEDMO
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1	ZINC000274838554	550558466	/nfs/dbraw/zinc/55/84/66/550558466.db2.gz	NWUDVWGYZKWGMH-LKUPVBHCSA-N	1	1	354.498	2.295	20	30		FEEDMO
CC(C)[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nc(-c2nc[nH]n2)no1	ZINC000275206814	550570988	/nfs/dbraw/zinc/57/09/88/550570988.db2.gz	RJIUAUABRDSRMX-CQSZACIVSA-N	1	1	353.386	2.244	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000277010382	550621588	/nfs/dbraw/zinc/62/15/88/550621588.db2.gz	LIVGTSLTGYIPBS-CVEARBPZSA-N	1	1	362.499	2.228	20	30		FEEDMO
Cn1cc([C@@H]2C[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C[C@H]2CO)cn1	ZINC000277746816	550709427	/nfs/dbraw/zinc/70/94/27/550709427.db2.gz	LEDAUPQRTXKRBA-WMZOPIPTSA-N	1	1	363.383	2.498	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1C#N	ZINC000278562766	550799406	/nfs/dbraw/zinc/79/94/06/550799406.db2.gz	MRWFDTYFQXWKIF-CABCVRRESA-N	1	1	360.458	2.264	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1C#N	ZINC000278562774	550799419	/nfs/dbraw/zinc/79/94/19/550799419.db2.gz	MRWFDTYFQXWKIF-HUUCEWRRSA-N	1	1	360.458	2.264	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC000278901360	550834067	/nfs/dbraw/zinc/83/40/67/550834067.db2.gz	RRJDKRZDFWZPJT-INIZCTEOSA-N	1	1	371.481	2.427	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1	ZINC000279411102	550887152	/nfs/dbraw/zinc/88/71/52/550887152.db2.gz	NVHOSNFTLMBHIF-QFBILLFUSA-N	1	1	350.470	2.385	20	30		FEEDMO
CN1CC[C@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1	ZINC000279411102	550887153	/nfs/dbraw/zinc/88/71/53/550887153.db2.gz	NVHOSNFTLMBHIF-QFBILLFUSA-N	1	1	350.470	2.385	20	30		FEEDMO
CN1CC[C@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1	ZINC000279411102	550887155	/nfs/dbraw/zinc/88/71/55/550887155.db2.gz	NVHOSNFTLMBHIF-QFBILLFUSA-N	1	1	350.470	2.385	20	30		FEEDMO
C#CCCOc1ccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1	ZINC000279525605	550899916	/nfs/dbraw/zinc/89/99/16/550899916.db2.gz	YWIIGVVDAZXACL-GOSISDBHSA-N	1	1	362.495	2.089	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1	ZINC000279525605	550899917	/nfs/dbraw/zinc/89/99/17/550899917.db2.gz	YWIIGVVDAZXACL-GOSISDBHSA-N	1	1	362.495	2.089	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000281122910	551065984	/nfs/dbraw/zinc/06/59/84/551065984.db2.gz	BKVCOPAHMUZKNA-OALUTQOASA-N	1	1	355.482	2.144	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(Br)cc2)C1=O	ZINC000281173825	551070736	/nfs/dbraw/zinc/07/07/36/551070736.db2.gz	AKCUWYVLBWHXFN-GJZGRUSLSA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(Br)cc2)C1=O	ZINC000281173825	551070737	/nfs/dbraw/zinc/07/07/37/551070737.db2.gz	AKCUWYVLBWHXFN-GJZGRUSLSA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)C1=O	ZINC000282070558	551176775	/nfs/dbraw/zinc/17/67/75/551176775.db2.gz	SXAYOUWRGBOKDZ-MAUKXSAKSA-N	1	1	374.460	2.446	20	30		FEEDMO
C=CCn1c(-c2ccccn2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000282322873	551211911	/nfs/dbraw/zinc/21/19/11/551211911.db2.gz	QHULJHGFGZJROW-IYBDPMFKSA-N	1	1	356.474	2.072	20	30		FEEDMO
C=CCn1c(-c2ccccn2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000282322873	551211913	/nfs/dbraw/zinc/21/19/13/551211913.db2.gz	QHULJHGFGZJROW-IYBDPMFKSA-N	1	1	356.474	2.072	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1	ZINC000497511794	561502687	/nfs/dbraw/zinc/50/26/87/561502687.db2.gz	YPWZQWHFUGSMPO-GOSISDBHSA-N	1	1	362.518	2.293	20	30		FEEDMO
C=CCn1c(COc2ccccc2OC)nnc1N1CC[NH+](C2CC2)CC1	ZINC000282578960	551248520	/nfs/dbraw/zinc/24/85/20/551248520.db2.gz	LAZVFWQRCKANRU-UHFFFAOYSA-N	1	1	369.469	2.336	20	30		FEEDMO
CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)c1ccsc1	ZINC000282959349	551290097	/nfs/dbraw/zinc/29/00/97/551290097.db2.gz	VWIIWOKKFHXVNB-DZGCQCFKSA-N	1	1	358.533	2.057	20	30		FEEDMO
C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](C2CC2)CC1	ZINC000283005570	551296764	/nfs/dbraw/zinc/29/67/64/551296764.db2.gz	RNAVUXSTCYRGFX-UHFFFAOYSA-N	1	1	355.490	2.000	20	30		FEEDMO
CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1sccc1C#N	ZINC000497987981	561513316	/nfs/dbraw/zinc/51/33/16/561513316.db2.gz	FEIILQPQUYZQAK-OAHLLOKOSA-N	1	1	363.483	2.499	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C	ZINC000284411535	551543614	/nfs/dbraw/zinc/54/36/14/551543614.db2.gz	NQCDGZFLWVTSGY-QGZVFWFLSA-N	1	1	355.438	2.213	20	30		FEEDMO
C=CCC[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1	ZINC000285332249	551739784	/nfs/dbraw/zinc/73/97/84/551739784.db2.gz	UJOBTSDOPLGXDD-VQIMIIECSA-N	1	1	355.482	2.411	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@](O)(C(F)(F)F)CC3)C2=O)cc1	ZINC000285720873	551800820	/nfs/dbraw/zinc/80/08/20/551800820.db2.gz	WYHKOWKGYRSBNB-NVXWUHKLSA-N	1	1	367.371	2.443	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@](O)(C(F)(F)F)CC3)C2=O)cc1	ZINC000285720873	551800821	/nfs/dbraw/zinc/80/08/21/551800821.db2.gz	WYHKOWKGYRSBNB-NVXWUHKLSA-N	1	1	367.371	2.443	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1CO	ZINC000499065276	561542370	/nfs/dbraw/zinc/54/23/70/561542370.db2.gz	QLUOMZJRQDSMJM-PBHICJAKSA-N	1	1	368.399	2.266	20	30		FEEDMO
CNC(=O)CC[C@@H]1CCCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000286471929	551889786	/nfs/dbraw/zinc/88/97/86/551889786.db2.gz	NTBXMSMHOUAZQA-PKOBYXMFSA-N	1	1	368.481	2.434	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1	ZINC000286811631	551928592	/nfs/dbraw/zinc/92/85/92/551928592.db2.gz	UJWQIUSPYQDUQR-LJQANCHMSA-N	1	1	371.462	2.438	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(F)cc1	ZINC000286874533	551935565	/nfs/dbraw/zinc/93/55/65/551935565.db2.gz	YXKKJWLCNJCPMY-SFHVURJKSA-N	1	1	361.442	2.420	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1	ZINC000286879384	551936094	/nfs/dbraw/zinc/93/60/94/551936094.db2.gz	MTVJUWTWOFDQCQ-ZDUSSCGKSA-N	1	1	365.480	2.403	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000288134325	552097256	/nfs/dbraw/zinc/09/72/56/552097256.db2.gz	LAZMPRMPETVTKK-FQEVSTJZSA-N	1	1	370.541	2.288	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000288134325	552097258	/nfs/dbraw/zinc/09/72/58/552097258.db2.gz	LAZMPRMPETVTKK-FQEVSTJZSA-N	1	1	370.541	2.288	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2cccc3ccccc32)C1=O	ZINC000499940387	561562504	/nfs/dbraw/zinc/56/25/04/561562504.db2.gz	RPFASAAXHKXRIH-PKOBYXMFSA-N	1	1	354.450	2.298	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@H+]1CCCC[C@@H]1C	ZINC000500806195	561583149	/nfs/dbraw/zinc/58/31/49/561583149.db2.gz	FNFWWENIXIFLTH-KBPBESRZSA-N	1	1	353.463	2.380	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1	ZINC000290325581	552460716	/nfs/dbraw/zinc/46/07/16/552460716.db2.gz	WATZJWSWEJMKKQ-AWEZNQCLSA-N	1	1	360.433	2.264	20	30		FEEDMO
C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@H+](CC)CC1	ZINC000290384193	552470610	/nfs/dbraw/zinc/47/06/10/552470610.db2.gz	MZIKIDJHTWYVJN-UHFFFAOYSA-N	1	1	366.469	2.447	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@@H]1C	ZINC000500934567	561586069	/nfs/dbraw/zinc/58/60/69/561586069.db2.gz	JKSAUIKOKHFJDL-BBRMVZONSA-N	1	1	353.463	2.332	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@H]1C	ZINC000500934570	561586110	/nfs/dbraw/zinc/58/61/10/561586110.db2.gz	JKSAUIKOKHFJDL-CZUORRHYSA-N	1	1	353.463	2.332	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)CCCC)c(F)c1	ZINC000290695399	552521710	/nfs/dbraw/zinc/52/17/10/552521710.db2.gz	CXPCYELQDTVBSH-LBPRGKRZSA-N	1	1	351.397	2.121	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F	ZINC000290764522	552534072	/nfs/dbraw/zinc/53/40/72/552534072.db2.gz	KMLMKPUREOUEJU-KDOFPFPSSA-N	1	1	370.428	2.111	20	30		FEEDMO
CON(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000291626672	552644889	/nfs/dbraw/zinc/64/48/89/552644889.db2.gz	DAOMNLJXLSWTEL-INIZCTEOSA-N	1	1	372.469	2.054	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@]2(CC[N@@H+](C)C2)C1	ZINC000292074045	552691029	/nfs/dbraw/zinc/69/10/29/552691029.db2.gz	DZGWVRHLKYBTAB-OXJNMPFZSA-N	1	1	358.461	2.488	20	30		FEEDMO
C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292137766	552697510	/nfs/dbraw/zinc/69/75/10/552697510.db2.gz	JGPMUGZYVVZZLY-QAPCUYQASA-N	1	1	350.422	2.111	20	30		FEEDMO
C[C@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292137766	552697512	/nfs/dbraw/zinc/69/75/12/552697512.db2.gz	JGPMUGZYVVZZLY-QAPCUYQASA-N	1	1	350.422	2.111	20	30		FEEDMO
CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H](C)CO	ZINC000292294469	552713197	/nfs/dbraw/zinc/71/31/97/552713197.db2.gz	UNBMJKOSSOJYSR-CYBMUJFWSA-N	1	1	358.442	2.259	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000292432466	552726330	/nfs/dbraw/zinc/72/63/30/552726330.db2.gz	WEZIAUWSSIVJRH-NUJGCVRESA-N	1	1	373.497	2.265	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc2c1OCCO2	ZINC000292751165	552755255	/nfs/dbraw/zinc/75/52/55/552755255.db2.gz	ILLQVUGNDYUNNE-MRXNPFEDSA-N	1	1	367.405	2.386	20	30		FEEDMO
N#Cc1ccsc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1	ZINC000292960594	552775010	/nfs/dbraw/zinc/77/50/10/552775010.db2.gz	AIKPRVUBQOTJSK-INIZCTEOSA-N	1	1	368.462	2.339	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2ccco2)cc1F	ZINC000293481703	552828176	/nfs/dbraw/zinc/82/81/76/552828176.db2.gz	VPQOCNAISCFZFU-UHFFFAOYSA-N	1	1	357.385	2.096	20	30		FEEDMO
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CCOCCC#N	ZINC000293501051	552830040	/nfs/dbraw/zinc/83/00/40/552830040.db2.gz	NQANFSZLOCJNFI-MRXNPFEDSA-N	1	1	362.426	2.096	20	30		FEEDMO
COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CCOCCC#N	ZINC000293501051	552830042	/nfs/dbraw/zinc/83/00/42/552830042.db2.gz	NQANFSZLOCJNFI-MRXNPFEDSA-N	1	1	362.426	2.096	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1sccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000293903305	552866499	/nfs/dbraw/zinc/86/64/99/552866499.db2.gz	WNMCOCTVIUJLLN-OCCSQVGLSA-N	1	1	360.483	2.327	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(NC(C)=O)c2ccccc21	ZINC000293902294	552866597	/nfs/dbraw/zinc/86/65/97/552866597.db2.gz	WCFHLJQOMRETGM-UHFFFAOYSA-N	1	1	373.478	2.032	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cccc(C)c1NC(=O)c1ccncc1	ZINC000294068686	552879374	/nfs/dbraw/zinc/87/93/74/552879374.db2.gz	VSIBXQXPQOBVQA-UHFFFAOYSA-N	1	1	364.449	2.327	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNc2ncc(Br)cc2C#N)CC1	ZINC000294800536	552935281	/nfs/dbraw/zinc/93/52/81/552935281.db2.gz	CEUSUBYVRPCUFN-ZDUSSCGKSA-N	1	1	366.307	2.401	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2	ZINC000295133291	552962121	/nfs/dbraw/zinc/96/21/21/552962121.db2.gz	LHKGWPKEMRIQMG-MJGOQNOKSA-N	1	1	372.513	2.205	20	30		FEEDMO
CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000295250321	552975746	/nfs/dbraw/zinc/97/57/46/552975746.db2.gz	QKGCLTWWBREUSM-QGZVFWFLSA-N	1	1	353.463	2.333	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000295785887	553059144	/nfs/dbraw/zinc/05/91/44/553059144.db2.gz	JONZPHKEHZCCKR-UTKZUKDTSA-N	1	1	367.497	2.182	20	30		FEEDMO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+](C2CC2)C1	ZINC000295797992	553060360	/nfs/dbraw/zinc/06/03/60/553060360.db2.gz	ZSVGMAZXSLZOOE-GFCCVEGCSA-N	1	1	360.845	2.093	20	30		FEEDMO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000295896298	553072915	/nfs/dbraw/zinc/07/29/15/553072915.db2.gz	IEQPVHITVMFXIN-MRXNPFEDSA-N	1	1	372.517	2.011	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000502977801	561631400	/nfs/dbraw/zinc/63/14/00/561631400.db2.gz	BFWPIQZZAJGDNG-DOTOQJQBSA-N	1	1	373.476	2.402	20	30		FEEDMO
N#Cc1ccc(SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)nc1	ZINC000298312949	553411111	/nfs/dbraw/zinc/41/11/11/553411111.db2.gz	PLELJUGXWZQGGG-UHFFFAOYSA-N	1	1	374.510	2.197	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@@H]1CCNC1=O	ZINC000298419102	553423062	/nfs/dbraw/zinc/42/30/62/553423062.db2.gz	FUMPNMLYFFAJSL-SWLSCSKDSA-N	1	1	374.510	2.284	20	30		FEEDMO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1	ZINC000298980936	553498782	/nfs/dbraw/zinc/49/87/82/553498782.db2.gz	MFTAXPGXNNZIPK-MSOLQXFVSA-N	1	1	370.453	2.051	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000503910658	561649746	/nfs/dbraw/zinc/64/97/46/561649746.db2.gz	OCLBMASPORXUEZ-QAPCUYQASA-N	1	1	371.485	2.083	20	30		FEEDMO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1	ZINC000504303841	561655866	/nfs/dbraw/zinc/65/58/66/561655866.db2.gz	VSPNLOIRQSZWPO-WOJBJXKFSA-N	1	1	367.497	2.012	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(c2nc3c(cc2C#N)CCCC3)CC1	ZINC000301900481	553689851	/nfs/dbraw/zinc/68/98/51/553689851.db2.gz	USPMBTNEOIKGGV-LJQANCHMSA-N	1	1	353.514	2.438	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)CC[N@H+]1C	ZINC000328605501	553795121	/nfs/dbraw/zinc/79/51/21/553795121.db2.gz	JPGYRMRXXGXAFX-INMHGKMJSA-N	1	1	350.507	2.296	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3COC[C@H](C2)O3)CC[N@H+]1Cc1ccccc1	ZINC000328661353	553804241	/nfs/dbraw/zinc/80/42/41/553804241.db2.gz	AEAJSZJXZVFRMP-OWYHZJEWSA-N	1	1	359.470	2.053	20	30		FEEDMO
C[N@@H+]1CC[C@H](NC(=O)N2CC[C@](F)(CO)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000328686853	553807165	/nfs/dbraw/zinc/80/71/65/553807165.db2.gz	GPKSKSOBLOURPD-YQQAZPJKSA-N	1	1	355.841	2.406	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N2CC[C@](F)(CO)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000328686853	553807168	/nfs/dbraw/zinc/80/71/68/553807168.db2.gz	GPKSKSOBLOURPD-YQQAZPJKSA-N	1	1	355.841	2.406	20	30		FEEDMO
Cn1ncc2c1C[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)CC2	ZINC000328688262	553807341	/nfs/dbraw/zinc/80/73/41/553807341.db2.gz	ZSEYIWGEXTUJPK-NZSAHSFTSA-N	1	1	368.481	2.117	20	30		FEEDMO
C[N@@H+]1CC[C@H](NC(=O)N2CC[C@](F)(CO)C2)[C@H]1c1ccc(Cl)cc1	ZINC000328686854	553807400	/nfs/dbraw/zinc/80/74/00/553807400.db2.gz	GPKSKSOBLOURPD-ZMSDIMECSA-N	1	1	355.841	2.406	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N2CC[C@](F)(CO)C2)[C@H]1c1ccc(Cl)cc1	ZINC000328686854	553807402	/nfs/dbraw/zinc/80/74/02/553807402.db2.gz	GPKSKSOBLOURPD-ZMSDIMECSA-N	1	1	355.841	2.406	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)CC[N@H+]1C	ZINC000328728526	553813089	/nfs/dbraw/zinc/81/30/89/553813089.db2.gz	GXQOZRCWGORLCY-DJIMGWMZSA-N	1	1	359.474	2.293	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)Nc1nc2c(s1)CCCC2	ZINC000328786135	553822490	/nfs/dbraw/zinc/82/24/90/553822490.db2.gz	KQNNWIHZSSFPNB-CFVMTHIKSA-N	1	1	365.499	2.472	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)Nc1nc2c(s1)CCCC2	ZINC000328786135	553822492	/nfs/dbraw/zinc/82/24/92/553822492.db2.gz	KQNNWIHZSSFPNB-CFVMTHIKSA-N	1	1	365.499	2.472	20	30		FEEDMO
C[C@@H]1CCC[C@H](CNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1	ZINC000328820521	553827702	/nfs/dbraw/zinc/82/77/02/553827702.db2.gz	PZYQNBGYBMVPPS-SJORKVTESA-N	1	1	364.534	2.213	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000328861594	553834625	/nfs/dbraw/zinc/83/46/25/553834625.db2.gz	VLWQUURZMCYJOQ-UKRRQHHQSA-N	1	1	361.442	2.235	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[C@@H](C)OCC(=O)N1Cc1ccccc1	ZINC000328934121	553847755	/nfs/dbraw/zinc/84/77/55/553847755.db2.gz	FCBAWWPTHKZLCQ-SUMDDJOVSA-N	1	1	359.470	2.243	20	30		FEEDMO
Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H](C#N)c2ccccc2F)CC1	ZINC000505916379	561685115	/nfs/dbraw/zinc/68/51/15/561685115.db2.gz	BKRVQZWSKGVQHZ-KRWDZBQOSA-N	1	1	355.417	2.152	20	30		FEEDMO
CC1(C#N)CC[NH+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1	ZINC000506038309	561688142	/nfs/dbraw/zinc/68/81/42/561688142.db2.gz	ZOEWTUFEVKBXGE-INIZCTEOSA-N	1	1	371.510	2.083	20	30		FEEDMO
CCN1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H]1C	ZINC000329020549	553865810	/nfs/dbraw/zinc/86/58/10/553865810.db2.gz	HSGSNNPLYUDULY-JFRXWTBNSA-N	1	1	366.550	2.083	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000329035644	553868583	/nfs/dbraw/zinc/86/85/83/553868583.db2.gz	YNLQZTREMVKOKL-FCIKYMEBSA-N	1	1	359.474	2.054	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H]1c1nccn1C	ZINC000329044791	553870822	/nfs/dbraw/zinc/87/08/22/553870822.db2.gz	JFSADGJVXQINRA-IKGGRYGDSA-N	1	1	363.506	2.264	20	30		FEEDMO
O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1	ZINC000329078095	553876401	/nfs/dbraw/zinc/87/64/01/553876401.db2.gz	CUIUKVWJYUYLRI-RXVVDRJESA-N	1	1	371.481	2.296	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1	ZINC000329081363	553877018	/nfs/dbraw/zinc/87/70/18/553877018.db2.gz	RRTSRFLVQRJGFK-ULQDDVLXSA-N	1	1	363.506	2.122	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)C[C@@H]1[NH+]1CCOCC1	ZINC000329091772	553879125	/nfs/dbraw/zinc/87/91/25/553879125.db2.gz	AITQONYVQSNTPI-BDXSIMOUSA-N	1	1	353.507	2.147	20	30		FEEDMO
Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000329224845	553906037	/nfs/dbraw/zinc/90/60/37/553906037.db2.gz	FTWRWMAPEHHXPX-SPUZQDLCSA-N	1	1	373.501	2.113	20	30		FEEDMO
O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC[C@H]1CCCS(=O)(=O)C1	ZINC000329237044	553908260	/nfs/dbraw/zinc/90/82/60/553908260.db2.gz	OSUQQXZNPLTOQV-WBVHZDCISA-N	1	1	371.547	2.112	20	30		FEEDMO
CN(C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000329252556	553911313	/nfs/dbraw/zinc/91/13/13/553911313.db2.gz	BZLJLJCOUBCIBQ-NAZJXLNTSA-N	1	1	362.518	2.391	20	30		FEEDMO
C[N@@H+](CCNC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1)C1CCCC1	ZINC000329264548	553913714	/nfs/dbraw/zinc/91/37/14/553913714.db2.gz	GTHARZJBODGSHS-MRXNPFEDSA-N	1	1	365.522	2.045	20	30		FEEDMO
CC(C)[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1	ZINC000329293149	553919250	/nfs/dbraw/zinc/91/92/50/553919250.db2.gz	RNJXUGSTKTWOGQ-KRWDZBQOSA-N	1	1	353.507	2.292	20	30		FEEDMO
C[C@@H](NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000329331792	553926590	/nfs/dbraw/zinc/92/65/90/553926590.db2.gz	ZSHVOFMLYRHKFR-HBPKQKSZSA-N	1	1	362.518	2.152	20	30		FEEDMO
O=C(NC[C@H]1CC(=O)N(C2CC2)C1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1	ZINC000329476568	553953927	/nfs/dbraw/zinc/95/39/27/553953927.db2.gz	BOAPDKDHUWTDJG-QRWLVFNGSA-N	1	1	371.481	2.152	20	30		FEEDMO
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1=O	ZINC000329551622	553966150	/nfs/dbraw/zinc/96/61/50/553966150.db2.gz	JNNSBSQHBOXRON-BIJSTVTOSA-N	1	1	371.481	2.150	20	30		FEEDMO
C=CCN(CCOC)C(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1	ZINC000506844893	561710016	/nfs/dbraw/zinc/71/00/16/561710016.db2.gz	OPVPABQLTNYGMO-OALUTQOASA-N	1	1	361.486	2.292	20	30		FEEDMO
C=CCN(CCOC)C(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1	ZINC000506844893	561710018	/nfs/dbraw/zinc/71/00/18/561710018.db2.gz	OPVPABQLTNYGMO-OALUTQOASA-N	1	1	361.486	2.292	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1	ZINC000329669037	553985855	/nfs/dbraw/zinc/98/58/55/553985855.db2.gz	MCUOKZPMHILBIU-JKSUJKDBSA-N	1	1	374.485	2.258	20	30		FEEDMO
C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2	ZINC000329703885	553992062	/nfs/dbraw/zinc/99/20/62/553992062.db2.gz	IMYOVXSFAJAVCU-ILOCAZANSA-N	1	1	363.502	2.043	20	30		FEEDMO
CC[C@@H]1CN(C(=O)CCNC(=O)C2CCCCC2)C[C@H]1[NH+]1CCOCC1	ZINC000329721030	553995564	/nfs/dbraw/zinc/99/55/64/553995564.db2.gz	DUUWEJKPZJLGOR-SJLPKXTDSA-N	1	1	365.518	2.483	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cccc3c2OCC(=O)N3)C[C@H]1[NH+]1CCOCC1	ZINC000329729641	553996483	/nfs/dbraw/zinc/99/64/83/553996483.db2.gz	CXRQDOHNXASCSY-XJKSGUPXSA-N	1	1	374.441	2.255	20	30		FEEDMO
CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCCC2)C[C@H]1[NH+]1CCOCC1	ZINC000329744396	553998454	/nfs/dbraw/zinc/99/84/54/553998454.db2.gz	QQNWBZRLEZWJRO-ZMSDIMECSA-N	1	1	351.491	2.091	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1	ZINC000329772939	554003544	/nfs/dbraw/zinc/00/35/44/554003544.db2.gz	LBLGDQICKGIGNV-QLFBSQMISA-N	1	1	360.433	2.014	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C)nn3)C2)C1	ZINC000329779092	554004189	/nfs/dbraw/zinc/00/41/89/554004189.db2.gz	QRIASZAQZJGPOK-ROUUACIJSA-N	1	1	374.533	2.332	20	30		FEEDMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1	ZINC000329793585	554007060	/nfs/dbraw/zinc/00/70/60/554007060.db2.gz	BEQUHSBTDYDWID-YQQAZPJKSA-N	1	1	350.507	2.011	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(OC[C@H]2CCCCO2)CC1	ZINC000329802819	554008666	/nfs/dbraw/zinc/00/86/66/554008666.db2.gz	KRMCXWMJSZJVPN-LZQZEXGQSA-N	1	1	365.518	2.433	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C	ZINC000329818337	554011435	/nfs/dbraw/zinc/01/14/35/554011435.db2.gz	XALCJMVJEUSQLF-YLJYHZDGSA-N	1	1	369.513	2.463	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C	ZINC000329818337	554011441	/nfs/dbraw/zinc/01/14/41/554011441.db2.gz	XALCJMVJEUSQLF-YLJYHZDGSA-N	1	1	369.513	2.463	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C	ZINC000329818337	554011443	/nfs/dbraw/zinc/01/14/43/554011443.db2.gz	XALCJMVJEUSQLF-YLJYHZDGSA-N	1	1	369.513	2.463	20	30		FEEDMO
C[NH+]1CCN([C@H](C(=O)N[C@H]2CCc3c[nH]nc3C2)c2ccccc2)CC1	ZINC000329884706	554024724	/nfs/dbraw/zinc/02/47/24/554024724.db2.gz	STRJAEYKPRZYLA-HKUYNNGSSA-N	1	1	353.470	2.212	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@]3(CCO[C@H]3C)C2)C1	ZINC000329902602	554028356	/nfs/dbraw/zinc/02/83/56/554028356.db2.gz	HTFKNDKRKKHJQW-YQVWRLOYSA-N	1	1	353.507	2.148	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC(=O)N(C)C3)cc2)C1	ZINC000329931662	554034025	/nfs/dbraw/zinc/03/40/25/554034025.db2.gz	PDWWFKPYYMSPFH-FCEWJHQRSA-N	1	1	372.513	2.399	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCn3ncnc3C2)CC[N@H+]1Cc1ccccc1	ZINC000329952431	554037730	/nfs/dbraw/zinc/03/77/30/554037730.db2.gz	IUOFZKOCZZECKX-WBVHZDCISA-N	1	1	354.458	2.061	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1COc2ccccc2O1	ZINC000329970425	554041609	/nfs/dbraw/zinc/04/16/09/554041609.db2.gz	UXMQCAGMNJJOJE-CQSZACIVSA-N	1	1	367.409	2.367	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[N@@H+](CC)C2)C12CCOCC2	ZINC000329993006	554045730	/nfs/dbraw/zinc/04/57/30/554045730.db2.gz	YCFRYWRETAPASJ-IXDOHACOSA-N	1	1	353.507	2.196	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1	ZINC000330000668	554047251	/nfs/dbraw/zinc/04/72/51/554047251.db2.gz	WVSSACUNVVYPMJ-RDTXWAMCSA-N	1	1	350.463	2.012	20	30		FEEDMO
C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@]2(CCOC2)O1	ZINC000330000251	554047365	/nfs/dbraw/zinc/04/73/65/554047365.db2.gz	WCUNXVXVKKPHFL-LMNJBCLMSA-N	1	1	373.497	2.302	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1	ZINC000330053837	554056186	/nfs/dbraw/zinc/05/61/86/554056186.db2.gz	RAJODFRNWWFLQG-PVAVHDDUSA-N	1	1	355.442	2.380	20	30		FEEDMO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1	ZINC000330071972	554059120	/nfs/dbraw/zinc/05/91/20/554059120.db2.gz	JIOGPMCDOAOLFR-ILXRZTDVSA-N	1	1	360.520	2.046	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1	ZINC000330071972	554059121	/nfs/dbraw/zinc/05/91/21/554059121.db2.gz	JIOGPMCDOAOLFR-ILXRZTDVSA-N	1	1	360.520	2.046	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCOC[C@H](C3CCC3)C2)C1	ZINC000330189078	554080993	/nfs/dbraw/zinc/08/09/93/554080993.db2.gz	UWXSSPZMPNBGFG-QZTJIDSGSA-N	1	1	353.507	2.006	20	30		FEEDMO
CC(C)N1C[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1=O	ZINC000330257987	554094662	/nfs/dbraw/zinc/09/46/62/554094662.db2.gz	RAQQHQCXKZPNEU-MSOLQXFVSA-N	1	1	358.486	2.164	20	30		FEEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000330268717	554096377	/nfs/dbraw/zinc/09/63/77/554096377.db2.gz	RILUOZCBZYVVDX-ARFHVFGLSA-N	1	1	359.536	2.062	20	30		FEEDMO
Cc1c([C@H]2OCC[C@@H]2C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cnn1C	ZINC000330282153	554099113	/nfs/dbraw/zinc/09/91/13/554099113.db2.gz	VEHRSXDYGHBMHC-BQFCYCMXSA-N	1	1	364.490	2.119	20	30		FEEDMO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1	ZINC000330368653	554111967	/nfs/dbraw/zinc/11/19/67/554111967.db2.gz	AHDBFWLSXYTHSZ-KCXAZCMYSA-N	1	1	370.906	2.011	20	30		FEEDMO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1	ZINC000330368653	554111969	/nfs/dbraw/zinc/11/19/69/554111969.db2.gz	AHDBFWLSXYTHSZ-KCXAZCMYSA-N	1	1	370.906	2.011	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1	ZINC000330413767	554118279	/nfs/dbraw/zinc/11/82/79/554118279.db2.gz	MPAHSQMBIIWDKO-IAGOWNOFSA-N	1	1	370.563	2.442	20	30		FEEDMO
CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000330758447	554167559	/nfs/dbraw/zinc/16/75/59/554167559.db2.gz	LOIKOPRWQDPKOZ-MRXNPFEDSA-N	1	1	362.518	2.202	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)NC(=O)NC(C)(C)C)C1	ZINC000330782372	554170576	/nfs/dbraw/zinc/17/05/76/554170576.db2.gz	PKQMNFQCEAAJLZ-CVEARBPZSA-N	1	1	352.523	2.402	20	30		FEEDMO
CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1	ZINC000330813971	554174874	/nfs/dbraw/zinc/17/48/74/554174874.db2.gz	OBQIALHFHOQWOQ-BBWFWOEESA-N	1	1	352.523	2.257	20	30		FEEDMO
COCCOc1cc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)ccc1OC	ZINC000330867728	554180854	/nfs/dbraw/zinc/18/08/54/554180854.db2.gz	ABCBDKFKRRUFIB-KBPBESRZSA-N	1	1	351.447	2.290	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)C1	ZINC000331138475	554220391	/nfs/dbraw/zinc/22/03/91/554220391.db2.gz	QPUZGRJUICGRFT-OAHLLOKOSA-N	1	1	367.515	2.359	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1	ZINC000331170293	554225362	/nfs/dbraw/zinc/22/53/62/554225362.db2.gz	VKARYNQUWLZQDL-ZDUSSCGKSA-N	1	1	353.463	2.013	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1	ZINC000331170293	554225364	/nfs/dbraw/zinc/22/53/64/554225364.db2.gz	VKARYNQUWLZQDL-ZDUSSCGKSA-N	1	1	353.463	2.013	20	30		FEEDMO
C=CCn1c(-c2cccn2C)nnc1N1CC[N@@H+](CCOC)[C@@H](CCC)C1	ZINC000508707996	561770250	/nfs/dbraw/zinc/77/02/50/561770250.db2.gz	ZFIHRIQZAUUKLA-KRWDZBQOSA-N	1	1	372.517	2.407	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C	ZINC000331202956	554230004	/nfs/dbraw/zinc/23/00/04/554230004.db2.gz	XTNPMFIJRDGYGZ-CABCVRRESA-N	1	1	360.458	2.278	20	30		FEEDMO
CC(C)C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CCO1	ZINC000331218313	554232479	/nfs/dbraw/zinc/23/24/79/554232479.db2.gz	HHKSLJMOLUIQFA-GVDBMIGSSA-N	1	1	355.523	2.271	20	30		FEEDMO
N#CCN1CCC(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000331400119	554257965	/nfs/dbraw/zinc/25/79/65/554257965.db2.gz	HGBYKDKHWUCASZ-FQEVSTJZSA-N	1	1	354.498	2.250	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000331406322	554259114	/nfs/dbraw/zinc/25/91/14/554259114.db2.gz	FJJRPFGNSZYPRB-QZTJIDSGSA-N	1	1	355.486	2.079	20	30		FEEDMO
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000508931594	561778686	/nfs/dbraw/zinc/77/86/86/561778686.db2.gz	PRHRTPUDHIRUAX-MWDXBVQZSA-N	1	1	363.506	2.107	20	30		FEEDMO
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000508931594	561778687	/nfs/dbraw/zinc/77/86/87/561778687.db2.gz	PRHRTPUDHIRUAX-MWDXBVQZSA-N	1	1	363.506	2.107	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000331471807	554270112	/nfs/dbraw/zinc/27/01/12/554270112.db2.gz	IGBCGDJQMLKWSZ-MEBBXXQBSA-N	1	1	373.400	2.338	20	30		FEEDMO
CN(C)C1(C#N)CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1	ZINC000331594528	554291199	/nfs/dbraw/zinc/29/11/99/554291199.db2.gz	NDLSHIGTRXHQSV-GOSISDBHSA-N	1	1	361.534	2.413	20	30		FEEDMO
CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)[C@H](C)CC#N	ZINC000509287085	561793862	/nfs/dbraw/zinc/79/38/62/561793862.db2.gz	NAVWBJCPXREBPP-SJLPKXTDSA-N	1	1	366.531	2.211	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1C#N	ZINC000509465744	561800793	/nfs/dbraw/zinc/80/07/93/561800793.db2.gz	TXMQIKOETAKTOV-ACJLOTCBSA-N	1	1	352.438	2.217	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1C#N	ZINC000509465744	561800794	/nfs/dbraw/zinc/80/07/94/561800794.db2.gz	TXMQIKOETAKTOV-ACJLOTCBSA-N	1	1	352.438	2.217	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC[N@H+]1C	ZINC000332534706	554465897	/nfs/dbraw/zinc/46/58/97/554465897.db2.gz	IKNPAJUTWNSUAC-HUUCEWRRSA-N	1	1	359.449	2.012	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](n2ccnn2)C1	ZINC000333456984	554615001	/nfs/dbraw/zinc/61/50/01/554615001.db2.gz	ZTLPIDXPUYSSOO-ISXWCOSWSA-N	1	1	358.490	2.234	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](n2ccnn2)C1	ZINC000333456984	554615002	/nfs/dbraw/zinc/61/50/02/554615002.db2.gz	ZTLPIDXPUYSSOO-ISXWCOSWSA-N	1	1	358.490	2.234	20	30		FEEDMO
C[C@@H]1CN(C(=O)N=c2[nH]n(C)cc2C#N)[C@@H](C)C[N@@H+]1Cc1ccccc1	ZINC000611228303	554617479	/nfs/dbraw/zinc/61/74/79/554617479.db2.gz	KFZARVIBXFUOSS-CABCVRRESA-N	1	1	352.442	2.418	20	30		FEEDMO
C[C@@H]1CN(C(=O)N=c2[nH]n(C)cc2C#N)[C@@H](C)C[N@H+]1Cc1ccccc1	ZINC000611228303	554617480	/nfs/dbraw/zinc/61/74/80/554617480.db2.gz	KFZARVIBXFUOSS-CABCVRRESA-N	1	1	352.442	2.418	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)NCC#Cc1cccc(F)c1)[NH+]1CCOCC1	ZINC000510885276	561849571	/nfs/dbraw/zinc/84/95/71/561849571.db2.gz	XPMLSWXPMBIVTM-IBGZPJMESA-N	1	1	361.461	2.223	20	30		FEEDMO
Cc1cc(C)c2ncc(C#N)c(N3CCC[C@@H](N4CC[NH2+]CC4=O)C3)c2c1	ZINC000333926079	554656725	/nfs/dbraw/zinc/65/67/25/554656725.db2.gz	VDDYWZOLBZAYSP-QGZVFWFLSA-N	1	1	363.465	2.124	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1	ZINC000334017553	554668532	/nfs/dbraw/zinc/66/85/32/554668532.db2.gz	BTYZOEJUPOUKTC-DLBZAZTESA-N	1	1	360.502	2.194	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1=O	ZINC000348577019	554689449	/nfs/dbraw/zinc/68/94/49/554689449.db2.gz	LKGBJUOJTBQGLZ-ROUUACIJSA-N	1	1	359.470	2.266	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)CN2CC[N@@H+](CC)C[C@H]2C)cc1	ZINC000511562996	561872417	/nfs/dbraw/zinc/87/24/17/561872417.db2.gz	AJXODEBBAVDQSH-QGZVFWFLSA-N	1	1	358.486	2.358	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000362703295	554982165	/nfs/dbraw/zinc/98/21/65/554982165.db2.gz	PYRIJDXNMAHCTJ-WIYYLYMNSA-N	1	1	356.514	2.285	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000362703295	554982167	/nfs/dbraw/zinc/98/21/67/554982167.db2.gz	PYRIJDXNMAHCTJ-WIYYLYMNSA-N	1	1	356.514	2.285	20	30		FEEDMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)N(CCC#N)CCC#N	ZINC000363135503	555038122	/nfs/dbraw/zinc/03/81/22/555038122.db2.gz	VQOJRXCOFNWNDB-IBGZPJMESA-N	1	1	367.497	2.239	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)CCO1	ZINC000363271160	555068644	/nfs/dbraw/zinc/06/86/44/555068644.db2.gz	JULZYCRWBLQPQX-SFHVURJKSA-N	1	1	370.497	2.118	20	30		FEEDMO
Cn1cc(C[NH2+][C@@](C)(C(N)=O)c2ccccc2)c(-c2ccc(C#N)cc2)n1	ZINC000363710688	555169137	/nfs/dbraw/zinc/16/91/37/555169137.db2.gz	MIEQVMDYYQDQEB-OAQYLSRUSA-N	1	1	359.433	2.449	20	30		FEEDMO
COCC[C@H]1CCCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000364136723	555256654	/nfs/dbraw/zinc/25/66/54/555256654.db2.gz	CQPWJJRKOLRBCC-QGZVFWFLSA-N	1	1	350.484	2.471	20	30		FEEDMO
COCC[C@H]1CCCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000364136723	555256655	/nfs/dbraw/zinc/25/66/55/555256655.db2.gz	CQPWJJRKOLRBCC-QGZVFWFLSA-N	1	1	350.484	2.471	20	30		FEEDMO
C[C@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)c[nH]1	ZINC000364848938	555415206	/nfs/dbraw/zinc/41/52/06/555415206.db2.gz	GHPNCIUSTKCIFY-DNVCBOLYSA-N	1	1	352.438	2.248	20	30		FEEDMO
C[C@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)c[nH]1	ZINC000364848938	555415203	/nfs/dbraw/zinc/41/52/03/555415203.db2.gz	GHPNCIUSTKCIFY-DNVCBOLYSA-N	1	1	352.438	2.248	20	30		FEEDMO
C[C@@H](CO)[N@H+]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000364898248	555430118	/nfs/dbraw/zinc/43/01/18/555430118.db2.gz	VIAGRLXLXXTOCG-HNNXBMFYSA-N	1	1	356.388	2.325	20	30		FEEDMO
C=CCN(C(=O)NCCOCCOC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364914299	555436361	/nfs/dbraw/zinc/43/63/61/555436361.db2.gz	NHQGVCXBCZGHHT-LJQANCHMSA-N	1	1	361.486	2.122	20	30		FEEDMO
COc1cc(C[N@@H+](C)CCC(N)=O)ccc1OCc1cccc(C#N)c1	ZINC000513217159	561929954	/nfs/dbraw/zinc/92/99/54/561929954.db2.gz	FCKWJXYKYQSYFR-UHFFFAOYSA-N	1	1	353.422	2.453	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CCCC[N@@H+]4C[C@H]3C2)cc1Cl	ZINC000365548070	555605945	/nfs/dbraw/zinc/60/59/45/555605945.db2.gz	CNTZKBBYALWGHY-JLJPHGGASA-N	1	1	365.886	2.316	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[N@@H+]3CCC[C@H](C)C3)C2)n1	ZINC000365751289	555659134	/nfs/dbraw/zinc/65/91/34/555659134.db2.gz	JDYRDCGQVIXOKN-LPHOPBHVSA-N	1	1	369.513	2.326	20	30		FEEDMO
Cc1c(C#N)cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000513806375	561950802	/nfs/dbraw/zinc/95/08/02/561950802.db2.gz	IABQVPCZXJGGKC-TZIWHRDSSA-N	1	1	363.461	2.480	20	30		FEEDMO
C[N@@H+](CCCNC(=O)N1CCC(n2cnc(C#N)n2)CC1)C1CCCCC1	ZINC000366392006	555831350	/nfs/dbraw/zinc/83/13/50/555831350.db2.gz	PJTHRXXNJAMXDR-UHFFFAOYSA-N	1	1	373.505	2.151	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2	ZINC000367014637	555997461	/nfs/dbraw/zinc/99/74/61/555997461.db2.gz	GLGAHYCYCYNTDK-LJQANCHMSA-N	1	1	364.490	2.224	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1Cl	ZINC000367571984	556086071	/nfs/dbraw/zinc/08/60/71/556086071.db2.gz	BZZMXAAODVXTDB-SJORKVTESA-N	1	1	363.845	2.420	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cc1Cl	ZINC000367571984	556086073	/nfs/dbraw/zinc/08/60/73/556086073.db2.gz	BZZMXAAODVXTDB-SJORKVTESA-N	1	1	363.845	2.420	20	30		FEEDMO
CS(=O)(=O)c1cccnc1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000367617671	556098246	/nfs/dbraw/zinc/09/82/46/556098246.db2.gz	RCTRUTVCODOJRI-UHFFFAOYSA-N	1	1	370.478	2.115	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[N@H+]4CCC[C@H]4C3)C2)c(F)c1	ZINC000367721693	556123083	/nfs/dbraw/zinc/12/30/83/556123083.db2.gz	RFPRSFIPAOOIEP-SJORKVTESA-N	1	1	356.445	2.220	20	30		FEEDMO
C[C@H](NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1	ZINC000514875640	561984717	/nfs/dbraw/zinc/98/47/17/561984717.db2.gz	KONKEJPAYYOQIY-XHSDSOJGSA-N	1	1	356.470	2.115	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1	ZINC000368186898	556242520	/nfs/dbraw/zinc/24/25/20/556242520.db2.gz	BRPCTPMXLOJUCH-UAFMIMERSA-N	1	1	368.481	2.221	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@]1(C#N)CCc2ccccc2C1	ZINC000368589763	556355567	/nfs/dbraw/zinc/35/55/67/556355567.db2.gz	JJFJXQKQOHNBEM-QFIPXVFZSA-N	1	1	368.525	2.170	20	30		FEEDMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C#N)CCc2ccccc2C1	ZINC000368589763	556355571	/nfs/dbraw/zinc/35/55/71/556355571.db2.gz	JJFJXQKQOHNBEM-QFIPXVFZSA-N	1	1	368.525	2.170	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1Cl	ZINC000368975635	556464773	/nfs/dbraw/zinc/46/47/73/556464773.db2.gz	RSUSGORMQDKHGK-QEORTHHSSA-N	1	1	360.845	2.126	20	30		FEEDMO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)CSCc3ccc(C#N)cc3)C2)CC1	ZINC000369277362	556561837	/nfs/dbraw/zinc/56/18/37/556561837.db2.gz	LPNQBBKBXYFZHW-GOSISDBHSA-N	1	1	372.538	2.076	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)CSCc3ccc(C#N)cc3)C2)CC1	ZINC000369277362	556561839	/nfs/dbraw/zinc/56/18/39/556561839.db2.gz	LPNQBBKBXYFZHW-GOSISDBHSA-N	1	1	372.538	2.076	20	30		FEEDMO
Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)cn1	ZINC000369284439	556564573	/nfs/dbraw/zinc/56/45/73/556564573.db2.gz	RDKDUYAZOHDDSV-HOTGVXAUSA-N	1	1	373.482	2.270	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+](CC(=O)N[C@H](c3ccccc3)C3CC3)CC2)n1	ZINC000369311154	556571992	/nfs/dbraw/zinc/57/19/92/556571992.db2.gz	FDUJSBXKBYFJHN-HXUWFJFHSA-N	1	1	364.453	2.054	20	30		FEEDMO
O=C(C[N@H+]1CC[C@H]2OCC[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000369561081	556631447	/nfs/dbraw/zinc/63/14/47/556631447.db2.gz	MNPJTKWVQLVYGW-DOTOQJQBSA-N	1	1	366.383	2.284	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CN2CCCC2=O)CC1	ZINC000369809765	556701265	/nfs/dbraw/zinc/70/12/65/556701265.db2.gz	FFAHWRHTCVOSNH-MRXNPFEDSA-N	1	1	360.502	2.052	20	30		FEEDMO
C[C@H]1C[C@H](N(C)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C	ZINC000369859238	556714247	/nfs/dbraw/zinc/71/42/47/556714247.db2.gz	AFIUAKXDZKPIJW-MAUKXSAKSA-N	1	1	370.501	2.046	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](C[C@@H]1CNc3c(C#N)cnn3C1)C2	ZINC000516468590	562043989	/nfs/dbraw/zinc/04/39/89/562043989.db2.gz	ZKEXUDQISMVKCL-DKICVRJWSA-N	1	1	371.485	2.240	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000370001281	556754397	/nfs/dbraw/zinc/75/43/97/556754397.db2.gz	ZTONEQLVWJELIP-HIFRSBDPSA-N	1	1	368.416	2.583	20	30		FEEDMO
C[C@@H](NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccc(Cl)cc1	ZINC000370118457	556786078	/nfs/dbraw/zinc/78/60/78/556786078.db2.gz	BARLIRCXNUKPJH-CYBMUJFWSA-N	1	1	372.860	2.317	20	30		FEEDMO
CC[C@@H](NC(=O)C1(C#N)CCOCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000370494409	556889838	/nfs/dbraw/zinc/88/98/38/556889838.db2.gz	DFTRRGLEOMEWQH-MOPGFXCFSA-N	1	1	371.481	2.103	20	30		FEEDMO
CC[C@@H](NC(=O)C1(C#N)CCOCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000370494409	556889841	/nfs/dbraw/zinc/88/98/41/556889841.db2.gz	DFTRRGLEOMEWQH-MOPGFXCFSA-N	1	1	371.481	2.103	20	30		FEEDMO
Cc1nnc([C@@H]2CC23CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC3)o1	ZINC000370805196	556973630	/nfs/dbraw/zinc/97/36/30/556973630.db2.gz	ZOSHRDAGHRZFML-INIZCTEOSA-N	1	1	351.410	2.458	20	30		FEEDMO
Cc1oc(NC(=O)C[N@H+](C)C2CCN(c3ncccn3)CC2)c(C#N)c1C	ZINC000370871581	556997749	/nfs/dbraw/zinc/99/77/49/556997749.db2.gz	BKMGQKJASLAQPJ-UHFFFAOYSA-N	1	1	368.441	2.097	20	30		FEEDMO
N#CCOc1ccc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1	ZINC000371129336	557083001	/nfs/dbraw/zinc/08/30/01/557083001.db2.gz	WLNFDXJZRIZUNJ-XVAYZXCPSA-N	1	1	361.445	2.378	20	30		FEEDMO
C[N@@H+](C[C@@H]1CC12CCN(C(=O)C(=O)Nc1cccc(C#N)c1)CC2)C1CC1	ZINC000371311778	557141752	/nfs/dbraw/zinc/14/17/52/557141752.db2.gz	ZIRGOUYYWAKKES-INIZCTEOSA-N	1	1	366.465	2.220	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCCCC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000517528783	562091828	/nfs/dbraw/zinc/09/18/28/562091828.db2.gz	HMACXJVGAUJRMT-MRXNPFEDSA-N	1	1	354.458	2.224	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCCCC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000517528783	562091829	/nfs/dbraw/zinc/09/18/29/562091829.db2.gz	HMACXJVGAUJRMT-MRXNPFEDSA-N	1	1	354.458	2.224	20	30		FEEDMO
CCc1nn(C)c(CC)c1C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000371469017	557189960	/nfs/dbraw/zinc/18/99/60/557189960.db2.gz	CMZZRZGQWWVZOC-SPLOXXLWSA-N	1	1	363.465	2.390	20	30		FEEDMO
CCc1nn(C)c(CC)c1C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000371469017	557189966	/nfs/dbraw/zinc/18/99/66/557189966.db2.gz	CMZZRZGQWWVZOC-SPLOXXLWSA-N	1	1	363.465	2.390	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H]1CCCN1c1cccnn1	ZINC000371549396	557219264	/nfs/dbraw/zinc/21/92/64/557219264.db2.gz	SCODVWQOQKFBIN-NVXWUHKLSA-N	1	1	364.453	2.276	20	30		FEEDMO
Cc1noc(C2(C)CC[NH+]([C@H](C)C(=O)NC3(C#N)CCCCC3)CC2)n1	ZINC000371572320	557226693	/nfs/dbraw/zinc/22/66/93/557226693.db2.gz	RCZIUMUCXLTRIK-CQSZACIVSA-N	1	1	359.474	2.463	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)COc1ccc(C#N)cc1	ZINC000371655040	557252516	/nfs/dbraw/zinc/25/25/16/557252516.db2.gz	YCVKUVPHQCEHJG-OXJNMPFZSA-N	1	1	364.449	2.359	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000371765904	557287169	/nfs/dbraw/zinc/28/71/69/557287169.db2.gz	LXLQYCHQEHLKGF-HZPDHXFCSA-N	1	1	358.442	2.332	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)S(=O)(=O)CCCCC#N	ZINC000372406749	557462880	/nfs/dbraw/zinc/46/28/80/557462880.db2.gz	ZIAMPTREROZTTK-IRXDYDNUSA-N	1	1	350.488	2.030	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1	ZINC000372482173	557482505	/nfs/dbraw/zinc/48/25/05/557482505.db2.gz	NMHJUXDCTNOKNL-KRWDZBQOSA-N	1	1	366.469	2.858	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O	ZINC000372901548	557585117	/nfs/dbraw/zinc/58/51/17/557585117.db2.gz	GCVMCSDAZAALRY-ORAYPTAESA-N	1	1	374.872	2.483	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)ccc1OCC#N	ZINC000372983806	557603283	/nfs/dbraw/zinc/60/32/83/557603283.db2.gz	VIIDAJNOXHERCZ-UPXOEVQQSA-N	1	1	355.438	2.163	20	30		FEEDMO
N#Cc1ncccc1S(=O)(=O)NC1CC[NH+](Cc2ccccc2F)CC1	ZINC000372990181	557604756	/nfs/dbraw/zinc/60/47/56/557604756.db2.gz	OKSPPMZNTOBXAH-UHFFFAOYSA-N	1	1	374.441	2.035	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000373138664	557636618	/nfs/dbraw/zinc/63/66/18/557636618.db2.gz	LFIWLFJJCYTXHI-AZUAARDMSA-N	1	1	370.497	2.037	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@](O)(C2CC2)C1	ZINC000373240171	557656439	/nfs/dbraw/zinc/65/64/39/557656439.db2.gz	CDTOSONFVBHYDP-MGPUTAFESA-N	1	1	357.454	2.177	20	30		FEEDMO
Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000373401311	557687032	/nfs/dbraw/zinc/68/70/32/557687032.db2.gz	WWPBLZVFFYDHHU-OAHLLOKOSA-N	1	1	352.442	2.431	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H](CC#N)c3ccccc3)C2)CC1	ZINC000373507431	557707592	/nfs/dbraw/zinc/70/75/92/557707592.db2.gz	IAHSYEDIVWTFHQ-RBUKOAKNSA-N	1	1	354.498	2.359	20	30		FEEDMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)C[C@H](CC#N)c3ccccc3)C2)CC1	ZINC000373507431	557707595	/nfs/dbraw/zinc/70/75/95/557707595.db2.gz	IAHSYEDIVWTFHQ-RBUKOAKNSA-N	1	1	354.498	2.359	20	30		FEEDMO
CCc1nc(CN2C[C@@H]3C[N@H+](Cc4ccc(C#N)c(OC)c4)C[C@@H]3C2)no1	ZINC000374204216	557843104	/nfs/dbraw/zinc/84/31/04/557843104.db2.gz	IEPNRGFNRUSKBZ-CALCHBBNSA-N	1	1	367.453	2.076	20	30		FEEDMO
CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](CCCSCC#N)C1	ZINC000374776529	557929832	/nfs/dbraw/zinc/92/98/32/557929832.db2.gz	FUWAYYYEYYYCGL-ZDUSSCGKSA-N	1	1	350.492	2.377	20	30		FEEDMO
CCn1nc2c(cc1=O)C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2	ZINC000374909705	557949690	/nfs/dbraw/zinc/94/96/90/557949690.db2.gz	KCJIFABXIQFHLG-UHFFFAOYSA-N	1	1	374.448	2.094	20	30		FEEDMO
CCn1nc2c(cc1=O)C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2	ZINC000374909705	557949691	/nfs/dbraw/zinc/94/96/91/557949691.db2.gz	KCJIFABXIQFHLG-UHFFFAOYSA-N	1	1	374.448	2.094	20	30		FEEDMO
N#Cc1ccc(C2(C(=O)N3CCC[N@H+](C4CCOCC4)CC3)CC2)cc1	ZINC000375256675	557999750	/nfs/dbraw/zinc/99/97/50/557999750.db2.gz	UPUJWCWKIJKUIS-UHFFFAOYSA-N	1	1	353.466	2.303	20	30		FEEDMO
N#C[C@H]1C[N@H+](CC2CCC3(CC2)OCCO3)C[C@]12C(=O)Nc1ccccc12	ZINC000375434421	558026770	/nfs/dbraw/zinc/02/67/70/558026770.db2.gz	DQONFRDZCMVUOH-KKSFZXQISA-N	1	1	367.449	2.265	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)C1=O	ZINC000375610464	558056613	/nfs/dbraw/zinc/05/66/13/558056613.db2.gz	GHWOHGIJERRIAP-YVSFHVDLSA-N	1	1	363.502	2.399	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)C1	ZINC000375757647	558077927	/nfs/dbraw/zinc/07/79/27/558077927.db2.gz	MCJRQVMFKGMJFO-LJQANCHMSA-N	1	1	372.488	2.213	20	30		FEEDMO
C=CCOCCNC(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1	ZINC000376070613	558122866	/nfs/dbraw/zinc/12/28/66/558122866.db2.gz	USQXXSPWUXKGBZ-FUHWJXTLSA-N	1	1	363.506	2.037	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@@H]21	ZINC000376075046	558123341	/nfs/dbraw/zinc/12/33/41/558123341.db2.gz	KYDTYTDXLGFHDJ-UZLBHIALSA-N	1	1	370.472	2.466	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1=O	ZINC000376128296	558130539	/nfs/dbraw/zinc/13/05/39/558130539.db2.gz	DWODPJOXUOCEDB-WDSOQIARSA-N	1	1	370.497	2.078	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(C#N)c1	ZINC000376175335	558136948	/nfs/dbraw/zinc/13/69/48/558136948.db2.gz	VYONAFTYOKXECS-PVUWLOKVSA-N	1	1	359.430	2.350	20	30		FEEDMO
CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)N=c1ccn(CCC#N)[nH]1	ZINC000376516951	558184240	/nfs/dbraw/zinc/18/42/40/558184240.db2.gz	BDFXUQAEIANUDR-HNNXBMFYSA-N	1	1	355.446	2.813	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)CC1	ZINC000376932979	558241170	/nfs/dbraw/zinc/24/11/70/558241170.db2.gz	OKXJWLXXFYUETH-UHFFFAOYSA-N	1	1	374.435	2.431	20	30		FEEDMO
Cc1cc(C#N)cc(N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1	ZINC000377158615	558278338	/nfs/dbraw/zinc/27/83/38/558278338.db2.gz	MITIDEZUSDEWLB-KRWDZBQOSA-N	1	1	371.485	2.393	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NCCCCN1CC[NH+](C)CC1	ZINC000522086664	562191157	/nfs/dbraw/zinc/19/11/57/562191157.db2.gz	MHWKJNATBGASKZ-UHFFFAOYSA-N	1	1	359.474	2.106	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1	ZINC000377524752	558357055	/nfs/dbraw/zinc/35/70/55/558357055.db2.gz	UVGACBDFHSGLKK-KRWDZBQOSA-N	1	1	357.454	2.277	20	30		FEEDMO
CC(C)(C#N)CCS(=O)(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1	ZINC000377835727	558432036	/nfs/dbraw/zinc/43/20/36/558432036.db2.gz	WAZZWDSDTXZAAW-QZTJIDSGSA-N	1	1	361.511	2.462	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000378391149	558546272	/nfs/dbraw/zinc/54/62/72/558546272.db2.gz	BWQYSCUJGIZFBC-IAGOWNOFSA-N	1	1	363.527	2.058	20	30		FEEDMO
CC(C)NC(=O)C[N@@H+]1CCCN(c2ccc3cc(C#N)ccc3n2)CC1	ZINC000378412579	558550829	/nfs/dbraw/zinc/55/08/29/558550829.db2.gz	AHZVZPXRHKYYQX-UHFFFAOYSA-N	1	1	351.454	2.143	20	30		FEEDMO
CC(C)NC(=O)C[N@H+]1CCCN(c2ccc3cc(C#N)ccc3n2)CC1	ZINC000378412579	558550831	/nfs/dbraw/zinc/55/08/31/558550831.db2.gz	AHZVZPXRHKYYQX-UHFFFAOYSA-N	1	1	351.454	2.143	20	30		FEEDMO
CCC(=O)N1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000378496682	558569565	/nfs/dbraw/zinc/56/95/65/558569565.db2.gz	LVOTVSMFZUBCCB-UHFFFAOYSA-N	1	1	351.454	2.403	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000378553968	558581702	/nfs/dbraw/zinc/58/17/02/558581702.db2.gz	WZOWKTQBNPDSIH-ZBFHGGJFSA-N	1	1	373.501	2.409	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000378553968	558581706	/nfs/dbraw/zinc/58/17/06/558581706.db2.gz	WZOWKTQBNPDSIH-ZBFHGGJFSA-N	1	1	373.501	2.409	20	30		FEEDMO
CC[N@@H+](CCC1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1)CC1CC1	ZINC000409482848	558696114	/nfs/dbraw/zinc/69/61/14/558696114.db2.gz	HBVRLLFKJFAXHQ-INIZCTEOSA-N	1	1	370.563	2.157	20	30		FEEDMO
Cn1cc[nH+]c1N1CCC(Nc2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000409643170	558710211	/nfs/dbraw/zinc/71/02/11/558710211.db2.gz	CUTWZVNFMBBDBD-UHFFFAOYSA-N	1	1	350.348	2.786	20	30		FEEDMO
C=CC[C@@H](CO)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2	ZINC000410071663	558737304	/nfs/dbraw/zinc/73/73/04/558737304.db2.gz	IDVXSJPQTXARRR-INIZCTEOSA-N	1	1	355.482	2.461	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1	ZINC000410685792	558798630	/nfs/dbraw/zinc/79/86/30/558798630.db2.gz	DYEMVUAJUJRDTP-PMACEKPBSA-N	1	1	369.509	2.392	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1	ZINC000410838627	558815558	/nfs/dbraw/zinc/81/55/58/558815558.db2.gz	BKSJIXYSVINIHZ-OALUTQOASA-N	1	1	355.482	2.001	20	30		FEEDMO
N#Cc1ccc(OCCNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1	ZINC000525262197	562244231	/nfs/dbraw/zinc/24/42/31/562244231.db2.gz	YSHZGQNUCCYLOM-IBGZPJMESA-N	1	1	364.449	2.360	20	30		FEEDMO
C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)N1CCN(c2ccccn2)CC1	ZINC000411489514	558903920	/nfs/dbraw/zinc/90/39/20/558903920.db2.gz	QKEMJBHADUZVRV-GOSISDBHSA-N	1	1	368.481	2.442	20	30		FEEDMO
C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)N1CCN(c2ccccn2)CC1	ZINC000411489514	558903921	/nfs/dbraw/zinc/90/39/21/558903921.db2.gz	QKEMJBHADUZVRV-GOSISDBHSA-N	1	1	368.481	2.442	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1	ZINC000411634777	558932838	/nfs/dbraw/zinc/93/28/38/558932838.db2.gz	AUWDWDINNALJLA-UHFFFAOYSA-N	1	1	370.501	2.467	20	30		FEEDMO
CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(N)=O	ZINC000411754683	558957012	/nfs/dbraw/zinc/95/70/12/558957012.db2.gz	FMZQWSQSKAQRBZ-GFCCVEGCSA-N	1	1	362.499	2.270	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccnc(C#N)c1	ZINC000412670629	559049567	/nfs/dbraw/zinc/04/95/67/559049567.db2.gz	IYPGGIBAQVNSLU-UYAOXDASSA-N	1	1	364.449	2.220	20	30		FEEDMO
Cc1cc(S(=O)(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1C#N	ZINC000414467606	559166315	/nfs/dbraw/zinc/16/63/15/559166315.db2.gz	WPNHZCGDFQOWNK-OALUTQOASA-N	1	1	355.463	2.243	20	30		FEEDMO
Cc1cc(S(=O)(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1C#N	ZINC000414467608	559166478	/nfs/dbraw/zinc/16/64/78/559166478.db2.gz	WPNHZCGDFQOWNK-RBUKOAKNSA-N	1	1	355.463	2.243	20	30		FEEDMO
C=CCN(C(=O)N[C@H]1CC[N@H+](CC)C1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000416735085	559330573	/nfs/dbraw/zinc/33/05/73/559330573.db2.gz	PVNCRHABAGULOA-WBVHZDCISA-N	1	1	369.473	2.015	20	30		FEEDMO
Cc1ncccc1OC[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000419400547	559440689	/nfs/dbraw/zinc/44/06/89/559440689.db2.gz	MOXYGHRKUQBSFI-IBGZPJMESA-N	1	1	364.449	2.421	20	30		FEEDMO
Cc1ncccc1OC[C@@H]1CCC[N@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000419400547	559440690	/nfs/dbraw/zinc/44/06/90/559440690.db2.gz	MOXYGHRKUQBSFI-IBGZPJMESA-N	1	1	364.449	2.421	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C[N@H+]1CCO	ZINC000419622011	559450261	/nfs/dbraw/zinc/45/02/61/559450261.db2.gz	SHLQKVKJMMVUMN-VCBZYWHSSA-N	1	1	356.470	2.032	20	30		FEEDMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000419645329	559451474	/nfs/dbraw/zinc/45/14/74/559451474.db2.gz	PKRFCRUPMXRDGW-FQEVSTJZSA-N	1	1	369.513	2.215	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C	ZINC000420924583	559511763	/nfs/dbraw/zinc/51/17/63/559511763.db2.gz	KELDEJNKNOJKFB-CLCXKQKWSA-N	1	1	351.491	2.483	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C	ZINC000420924583	559511764	/nfs/dbraw/zinc/51/17/64/559511764.db2.gz	KELDEJNKNOJKFB-CLCXKQKWSA-N	1	1	351.491	2.483	20	30		FEEDMO
CNC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000420980066	559516733	/nfs/dbraw/zinc/51/67/33/559516733.db2.gz	UBBGQGUJJVUUIZ-STQMWFEESA-N	1	1	374.510	2.284	20	30		FEEDMO
CNC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000420980066	559516734	/nfs/dbraw/zinc/51/67/34/559516734.db2.gz	UBBGQGUJJVUUIZ-STQMWFEESA-N	1	1	374.510	2.284	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c(C#N)cn1CC	ZINC000421172330	559528679	/nfs/dbraw/zinc/52/86/79/559528679.db2.gz	JLXUSLXHMJUASV-ZFWWWQNUSA-N	1	1	373.457	2.114	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000421710879	559550451	/nfs/dbraw/zinc/55/04/51/559550451.db2.gz	MTSPDYXYEPPZRP-HOCLYGCPSA-N	1	1	374.872	2.117	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1	ZINC000422327449	559579058	/nfs/dbraw/zinc/57/90/58/559579058.db2.gz	DILHXDRHDZIYLA-IBGZPJMESA-N	1	1	355.482	2.058	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000422432132	559587859	/nfs/dbraw/zinc/58/78/59/559587859.db2.gz	MDFJLWBSPNHTAM-UYAOXDASSA-N	1	1	369.509	2.423	20	30		FEEDMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422493173	559591799	/nfs/dbraw/zinc/59/17/99/559591799.db2.gz	XTPOTESQUBYCLO-GOSISDBHSA-N	1	1	370.497	2.023	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C	ZINC000422533430	559593437	/nfs/dbraw/zinc/59/34/37/559593437.db2.gz	XHHCEIGMUZFZAF-UHOSZYNNSA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1	ZINC000422543885	559594022	/nfs/dbraw/zinc/59/40/22/559594022.db2.gz	PSAKUQYWARZEPR-MOPGFXCFSA-N	1	1	357.498	2.090	20	30		FEEDMO
COC(=O)[C@H](CC[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1	ZINC000425381875	559699120	/nfs/dbraw/zinc/69/91/20/559699120.db2.gz	GRGFDYVLBFOKMA-LJQANCHMSA-N	1	1	364.449	2.422	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nn1	ZINC000425423104	559701327	/nfs/dbraw/zinc/70/13/27/559701327.db2.gz	YQWVGSUNJCUKOP-NVXWUHKLSA-N	1	1	354.458	2.099	20	30		FEEDMO
COC(=O)c1cnc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)s1	ZINC000425489886	559705178	/nfs/dbraw/zinc/70/51/78/559705178.db2.gz	OIUMZGWCGRXOSS-NSHDSACASA-N	1	1	358.423	2.481	20	30		FEEDMO
CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1	ZINC000425543036	559708851	/nfs/dbraw/zinc/70/88/51/559708851.db2.gz	RKKKNOUTYMHTPU-MAUKXSAKSA-N	1	1	357.454	2.495	20	30		FEEDMO
CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1	ZINC000425543036	559708852	/nfs/dbraw/zinc/70/88/52/559708852.db2.gz	RKKKNOUTYMHTPU-MAUKXSAKSA-N	1	1	357.454	2.495	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000527335319	562285709	/nfs/dbraw/zinc/28/57/09/562285709.db2.gz	XWZNJIDWBRJTLA-CGZBRXJRSA-N	1	1	357.458	2.037	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)C2)nc1	ZINC000428792493	559783426	/nfs/dbraw/zinc/78/34/26/559783426.db2.gz	XBMAKMUDVUABQG-AEFFLSMTSA-N	1	1	373.840	2.500	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000430544644	559822053	/nfs/dbraw/zinc/82/20/53/559822053.db2.gz	UBLSJCGCSZSMHA-KRWDZBQOSA-N	1	1	373.497	2.313	20	30		FEEDMO
C[C@H]1[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC[N@@H+]1C	ZINC000433873206	559889246	/nfs/dbraw/zinc/88/92/46/559889246.db2.gz	CSAGOEQKWFLVNP-IINYFYTJSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[C@H]1[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC[N@H+]1C	ZINC000433873206	559889247	/nfs/dbraw/zinc/88/92/47/559889247.db2.gz	CSAGOEQKWFLVNP-IINYFYTJSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[N@H+](CCN1CCOC(C)(C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000434699214	559906466	/nfs/dbraw/zinc/90/64/66/559906466.db2.gz	ZSQVLVMHLLZTEF-LJQANCHMSA-N	1	1	370.497	2.096	20	30		FEEDMO
C[N@@H+](CCN1CCOC(C)(C)C1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000434699214	559906467	/nfs/dbraw/zinc/90/64/67/559906467.db2.gz	ZSQVLVMHLLZTEF-LJQANCHMSA-N	1	1	370.497	2.096	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H](C)C1	ZINC000435436742	559923032	/nfs/dbraw/zinc/92/30/32/559923032.db2.gz	GTLMDWDEFXBEOC-UKRRQHHQSA-N	1	1	371.528	2.035	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C	ZINC000437735058	559968734	/nfs/dbraw/zinc/96/87/34/559968734.db2.gz	JGHIODUNYDBQSP-RDGPPVDQSA-N	1	1	367.534	2.404	20	30		FEEDMO
CC[C@@H](CNC(=O)N=c1ccn(CCC#N)[nH]1)[N@H+]1CCc2ccccc2C1	ZINC000438334629	559977556	/nfs/dbraw/zinc/97/75/56/559977556.db2.gz	YVGDDYKGWLKWTA-SFHVURJKSA-N	1	1	366.469	2.755	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1	ZINC000438442204	559979173	/nfs/dbraw/zinc/97/91/73/559979173.db2.gz	JDTPDKMZXJLMQA-KURKYZTESA-N	1	1	353.507	2.110	20	30		FEEDMO
CCC(CC)[C@@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[NH+](C)C	ZINC000440070865	560004187	/nfs/dbraw/zinc/00/41/87/560004187.db2.gz	AGJTWLMHVFXZJQ-OAHLLOKOSA-N	1	1	359.442	2.481	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(c2nccnc2C)CC1	ZINC000440531652	560013945	/nfs/dbraw/zinc/01/39/45/560013945.db2.gz	MVHFUNWVMUZKEV-LJQANCHMSA-N	1	1	368.481	2.075	20	30		FEEDMO
COC(=O)[C@@H]1CC12CC[NH+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2	ZINC000441380452	560030600	/nfs/dbraw/zinc/03/06/00/560030600.db2.gz	GTAUHBBQWBKYSS-HNNXBMFYSA-N	1	1	352.394	2.383	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C	ZINC000442272794	560047517	/nfs/dbraw/zinc/04/75/17/560047517.db2.gz	UHAKXCUUVWHXTC-MNOVXSKESA-N	1	1	368.359	2.067	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+]1C	ZINC000442272794	560047518	/nfs/dbraw/zinc/04/75/18/560047518.db2.gz	UHAKXCUUVWHXTC-MNOVXSKESA-N	1	1	368.359	2.067	20	30		FEEDMO
CCC[N@@H+](CC)CCNS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000443471875	560084596	/nfs/dbraw/zinc/08/45/96/560084596.db2.gz	GAXNZZRQVKVIPN-UHFFFAOYSA-N	1	1	374.304	2.331	20	30		FEEDMO
C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000443465338	560084733	/nfs/dbraw/zinc/08/47/33/560084733.db2.gz	GYVRESGCZOVYOH-NSHDSACASA-N	1	1	372.288	2.035	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000443465338	560084734	/nfs/dbraw/zinc/08/47/34/560084734.db2.gz	GYVRESGCZOVYOH-NSHDSACASA-N	1	1	372.288	2.035	20	30		FEEDMO
C=CC[C@@H]1[N@@H+](CC(=O)c2c(N)n(CCC)c(=O)[nH]c2=O)CCCC1(C)C	ZINC000444774648	560120422	/nfs/dbraw/zinc/12/04/22/560120422.db2.gz	JYADLQVMOBHNAK-AWEZNQCLSA-N	1	1	362.474	2.191	20	30		FEEDMO
CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1	ZINC000447424672	560162016	/nfs/dbraw/zinc/16/20/16/560162016.db2.gz	XPYLABWSFNXMKN-UHFFFAOYSA-N	1	1	362.861	2.388	20	30		FEEDMO
C[C@@H]1C[C@@]1(C#N)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000448739084	560197287	/nfs/dbraw/zinc/19/72/87/560197287.db2.gz	SHOOGDGUORNWNR-NQIIRXRSSA-N	1	1	354.498	2.250	20	30		FEEDMO
C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000448836670	560201783	/nfs/dbraw/zinc/20/17/83/560201783.db2.gz	PXQYLCRIAIQZLK-FOIQADDNSA-N	1	1	352.438	2.462	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(C#N)n1C	ZINC000448951015	560208535	/nfs/dbraw/zinc/20/85/35/560208535.db2.gz	OLNWIFXRNPFIGL-SFHVURJKSA-N	1	1	351.454	2.418	20	30		FEEDMO
C[C@@H]1C[C@@H]1c1nnc2ccc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)nn21	ZINC000450220955	560254349	/nfs/dbraw/zinc/25/43/49/560254349.db2.gz	MVWLLJHBISXEQU-QAPCUYQASA-N	1	1	373.464	2.442	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3cc(C#N)cc(C)n3)C2)CC1	ZINC000450770175	560272676	/nfs/dbraw/zinc/27/26/76/560272676.db2.gz	IGBABKUFMHJJDW-GOSISDBHSA-N	1	1	355.486	2.032	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cccnc2N(C)C)C1	ZINC000451031757	560283497	/nfs/dbraw/zinc/28/34/97/560283497.db2.gz	XMCPJKVGYATLHT-GQIGUUNPSA-N	1	1	373.501	2.044	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1	ZINC000451031757	560283498	/nfs/dbraw/zinc/28/34/98/560283498.db2.gz	XMCPJKVGYATLHT-GQIGUUNPSA-N	1	1	373.501	2.044	20	30		FEEDMO
COc1cc(C[N@@H+]2CCOC[C@H](O)C2)ccc1OCc1cccc(C#N)c1	ZINC000451238697	560294978	/nfs/dbraw/zinc/29/49/78/560294978.db2.gz	ZEYUYLVHYZBGIL-LJQANCHMSA-N	1	1	368.433	2.339	20	30		FEEDMO
COc1cc(C[N@H+]2CCOC[C@H](O)C2)ccc1OCc1cccc(C#N)c1	ZINC000451238697	560294979	/nfs/dbraw/zinc/29/49/79/560294979.db2.gz	ZEYUYLVHYZBGIL-LJQANCHMSA-N	1	1	368.433	2.339	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](CO)[C@@H]2CC)cc1	ZINC000451257694	560296329	/nfs/dbraw/zinc/29/63/29/560296329.db2.gz	VUEPAEVTPPFIRF-LPHOPBHVSA-N	1	1	359.470	2.425	20	30		FEEDMO
N#Cc1ccccc1OCC[N@H+](CCN1CCOCC1)Cc1ccco1	ZINC000452050309	560348085	/nfs/dbraw/zinc/34/80/85/560348085.db2.gz	QRJBRHMMKMTQBC-UHFFFAOYSA-N	1	1	355.438	2.364	20	30		FEEDMO
N#Cc1ccccc1OCC[N@@H+](CCN1CCOCC1)Cc1ccco1	ZINC000452050309	560348086	/nfs/dbraw/zinc/34/80/86/560348086.db2.gz	QRJBRHMMKMTQBC-UHFFFAOYSA-N	1	1	355.438	2.364	20	30		FEEDMO
C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CCN(CCC(F)(F)F)CC1	ZINC000452107628	560351806	/nfs/dbraw/zinc/35/18/06/560351806.db2.gz	BUSUUZFBEZCFGK-INIZCTEOSA-N	1	1	360.424	2.143	20	30		FEEDMO
C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CCN(CCC(F)(F)F)CC1	ZINC000452107628	560351807	/nfs/dbraw/zinc/35/18/07/560351807.db2.gz	BUSUUZFBEZCFGK-INIZCTEOSA-N	1	1	360.424	2.143	20	30		FEEDMO
CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H]2CCc3ccc(C#N)cc32)CC1	ZINC000453279526	560385172	/nfs/dbraw/zinc/38/51/72/560385172.db2.gz	QCXQQIGOQWXQFY-NSYGIPOTSA-N	1	1	360.479	2.322	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1	ZINC000453616899	560391507	/nfs/dbraw/zinc/39/15/07/560391507.db2.gz	HLRGLCKFGFXEAT-CQSZACIVSA-N	1	1	356.470	2.432	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453709974	560398705	/nfs/dbraw/zinc/39/87/05/560398705.db2.gz	MTCGAFIUDKWLOH-CQSZACIVSA-N	1	1	362.861	2.145	20	30		FEEDMO
C=C(C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1	ZINC000453874832	560409946	/nfs/dbraw/zinc/40/99/46/560409946.db2.gz	KQUZIFOJWWUPMW-HOTGVXAUSA-N	1	1	359.470	2.317	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@H+]1CCCO	ZINC000454572688	560449991	/nfs/dbraw/zinc/44/99/91/560449991.db2.gz	GIQNXHDCDMCHEQ-INIZCTEOSA-N	1	1	360.458	2.314	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CCO)C[C@H]1C	ZINC000454751556	560456852	/nfs/dbraw/zinc/45/68/52/560456852.db2.gz	KTVBPKAUOMUOMC-HUUCEWRRSA-N	1	1	362.499	2.469	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C	ZINC000454751556	560456853	/nfs/dbraw/zinc/45/68/53/560456853.db2.gz	KTVBPKAUOMUOMC-HUUCEWRRSA-N	1	1	362.499	2.469	20	30		FEEDMO
C=C(CC)CNC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000454929459	560463886	/nfs/dbraw/zinc/46/38/86/560463886.db2.gz	QZCSDCUXKCPZGU-UHFFFAOYSA-N	1	1	358.486	2.481	20	30		FEEDMO
C=C(C)CCNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000455309758	560477414	/nfs/dbraw/zinc/47/74/14/560477414.db2.gz	LRBCOQMIZPDFAY-GOSISDBHSA-N	1	1	358.486	2.149	20	30		FEEDMO
C[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1	ZINC000455772673	560494459	/nfs/dbraw/zinc/49/44/59/560494459.db2.gz	OYPDFLMIPJTXPK-CQSZACIVSA-N	1	1	360.458	2.266	20	30		FEEDMO
C=C[C@@H](C)NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1	ZINC000455912118	560499999	/nfs/dbraw/zinc/49/99/99/560499999.db2.gz	VOUIOSPGPGKHMU-LLVKDONJSA-N	1	1	368.279	2.292	20	30		FEEDMO
COCC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1c(C)nn(C)c1C	ZINC000459571853	560695052	/nfs/dbraw/zinc/69/50/52/560695052.db2.gz	QAOYFJDDUPVKHU-UHFFFAOYSA-N	1	1	369.469	2.386	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000459585178	560696087	/nfs/dbraw/zinc/69/60/87/560696087.db2.gz	OUGWQIQOQJXVAU-UZLBHIALSA-N	1	1	360.454	2.352	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)Cc2cccc(F)c2)CC1	ZINC000459761080	560706615	/nfs/dbraw/zinc/70/66/15/560706615.db2.gz	KQTACNYDTZRNOU-FXAWDEMLSA-N	1	1	374.504	2.381	20	30		FEEDMO
CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000460241145	560739031	/nfs/dbraw/zinc/73/90/31/560739031.db2.gz	VPXDETIKBGNVLQ-QGZVFWFLSA-N	1	1	366.469	2.422	20	30		FEEDMO
COc1cc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N	ZINC000460581751	560746588	/nfs/dbraw/zinc/74/65/88/560746588.db2.gz	AFVMQXGSTLJYPG-FQEVSTJZSA-N	1	1	365.433	2.084	20	30		FEEDMO
COc1cc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N	ZINC000460581751	560746589	/nfs/dbraw/zinc/74/65/89/560746589.db2.gz	AFVMQXGSTLJYPG-FQEVSTJZSA-N	1	1	365.433	2.084	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C	ZINC000460953771	560757058	/nfs/dbraw/zinc/75/70/58/560757058.db2.gz	ULLGHPMSLSEOGC-JKSUJKDBSA-N	1	1	362.522	2.159	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000461898873	560786960	/nfs/dbraw/zinc/78/69/60/560786960.db2.gz	IFAAPGOPJAZTDM-KRWDZBQOSA-N	1	1	370.497	2.064	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000461898873	560786961	/nfs/dbraw/zinc/78/69/61/560786961.db2.gz	IFAAPGOPJAZTDM-KRWDZBQOSA-N	1	1	370.497	2.064	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@@H]1CCC[C@@H]1C#N)CC2	ZINC000461945446	560789187	/nfs/dbraw/zinc/78/91/87/560789187.db2.gz	CNYFOADWKRCWLW-NVXWUHKLSA-N	1	1	372.469	2.053	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@@H]1CCC[C@@H]1C#N)CC2	ZINC000461945446	560789188	/nfs/dbraw/zinc/78/91/88/560789188.db2.gz	CNYFOADWKRCWLW-NVXWUHKLSA-N	1	1	372.469	2.053	20	30		FEEDMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)N[C@H]2CCC[C@H]2C#N)c1	ZINC000461960235	560789769	/nfs/dbraw/zinc/78/97/69/560789769.db2.gz	SXSKLKJVDDREBZ-HKUYNNGSSA-N	1	1	374.485	2.135	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CCC[C@@H]2C#N)CC1	ZINC000461962767	560789921	/nfs/dbraw/zinc/78/99/21/560789921.db2.gz	GZCVCUOPCKTHSC-XLIONFOSSA-N	1	1	369.513	2.316	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000462139726	560798868	/nfs/dbraw/zinc/79/88/68/560798868.db2.gz	ZCJVCXZOAJLKEF-HOTGVXAUSA-N	1	1	356.470	2.451	20	30		FEEDMO
C[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cccc(C#N)c1	ZINC000462270434	560803842	/nfs/dbraw/zinc/80/38/42/560803842.db2.gz	NSDKBQBDODGHMZ-ORYQWCPZSA-N	1	1	363.461	2.413	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C	ZINC000463698632	560821740	/nfs/dbraw/zinc/82/17/40/560821740.db2.gz	CXXRQZMPNBWJEJ-CQSZACIVSA-N	1	1	365.480	2.210	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC(N)=O	ZINC000466680242	560892763	/nfs/dbraw/zinc/89/27/63/560892763.db2.gz	QRUIYBJUSXQMEV-OAHLLOKOSA-N	1	1	350.422	2.435	20	30		FEEDMO
CCN(C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1)CC(F)(F)F	ZINC000469720582	560962805	/nfs/dbraw/zinc/96/28/05/560962805.db2.gz	IVZJCQGTWMJEEK-KBPBESRZSA-N	1	1	360.424	2.143	20	30		FEEDMO
CCOCCOCC[N@@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000469851516	560966648	/nfs/dbraw/zinc/96/66/48/560966648.db2.gz	IWDZOBTWCRHZJO-HFCFLWKCSA-N	1	1	353.507	2.291	20	30		FEEDMO
C=CCOc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Cl	ZINC000469993125	560970966	/nfs/dbraw/zinc/97/09/66/560970966.db2.gz	RVUHJNGPXJDHQZ-OAHLLOKOSA-N	1	1	351.878	2.192	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1C	ZINC000469998852	560971431	/nfs/dbraw/zinc/97/14/31/560971431.db2.gz	HVHJGAIMBUUTPC-VXGBXAGGSA-N	1	1	361.467	2.320	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000470211631	560976648	/nfs/dbraw/zinc/97/66/48/560976648.db2.gz	KDIZWLNZXHTJMD-CQSZACIVSA-N	1	1	374.872	2.340	20	30		FEEDMO
CCOc1ccc(OCC[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1	ZINC000472152962	561019545	/nfs/dbraw/zinc/01/95/45/561019545.db2.gz	IOCNJAMVHHQGFW-UHFFFAOYSA-N	1	1	369.469	2.200	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000473506725	561051464	/nfs/dbraw/zinc/05/14/64/561051464.db2.gz	NOXOYDFCBBZBOG-RTBURBONSA-N	1	1	369.513	2.421	20	30		FEEDMO
N#CC1(CS(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CCC1	ZINC000474573396	561077185	/nfs/dbraw/zinc/07/71/85/561077185.db2.gz	FXPSDGXTZFXKSI-OAHLLOKOSA-N	1	1	351.472	2.420	20	30		FEEDMO
COc1nn(C)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000474987045	561086953	/nfs/dbraw/zinc/08/69/53/561086953.db2.gz	QJBGAUSPLFXRDU-UHFFFAOYSA-N	1	1	368.441	2.040	20	30		FEEDMO
COc1nn(C)cc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000474987045	561086954	/nfs/dbraw/zinc/08/69/54/561086954.db2.gz	QJBGAUSPLFXRDU-UHFFFAOYSA-N	1	1	368.441	2.040	20	30		FEEDMO
COc1ccc(CNC(=O)C2CC[NH+](C[C@H](C#N)CCC#N)CC2)cc1	ZINC000475724261	561103485	/nfs/dbraw/zinc/10/34/85/561103485.db2.gz	IGFNKUDRGHPBJJ-KRWDZBQOSA-N	1	1	354.454	2.467	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1	ZINC000476041409	561110074	/nfs/dbraw/zinc/11/00/74/561110074.db2.gz	MXFXHBRXLAEYIT-UYAOXDASSA-N	1	1	356.514	2.464	20	30		FEEDMO
Cn1ncc(C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)c1C#N	ZINC000476129698	561111811	/nfs/dbraw/zinc/11/18/11/561111811.db2.gz	BJZJLQNIRINHKC-UHFFFAOYSA-N	1	1	363.421	2.447	20	30		FEEDMO
Cn1ncc(C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)c1C#N	ZINC000476129698	561111812	/nfs/dbraw/zinc/11/18/12/561111812.db2.gz	BJZJLQNIRINHKC-UHFFFAOYSA-N	1	1	363.421	2.447	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1	ZINC000528427471	562328815	/nfs/dbraw/zinc/32/88/15/562328815.db2.gz	ZEUNUTBHPKYYHF-FUHWJXTLSA-N	1	1	367.453	2.104	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000528438817	562329362	/nfs/dbraw/zinc/32/93/62/562329362.db2.gz	NFFYUHXHLIQMKY-QUCCMNQESA-N	1	1	356.397	2.031	20	30		FEEDMO
Cc1noc(C)c1CO[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528447032	562329857	/nfs/dbraw/zinc/32/98/57/562329857.db2.gz	CNAVDMBEZVVXHT-MSOLQXFVSA-N	1	1	371.437	2.194	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1	ZINC000528504138	562332854	/nfs/dbraw/zinc/33/28/54/562332854.db2.gz	BPYHFAONGNIAMU-MOPGFXCFSA-N	1	1	364.445	2.320	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1	ZINC000528504138	562332855	/nfs/dbraw/zinc/33/28/55/562332855.db2.gz	BPYHFAONGNIAMU-MOPGFXCFSA-N	1	1	364.445	2.320	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1	ZINC000528534681	562334758	/nfs/dbraw/zinc/33/47/58/562334758.db2.gz	CZMUMGVZXVZRNJ-VQIMIIECSA-N	1	1	352.434	2.177	20	30		FEEDMO
N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1	ZINC000528551783	562335766	/nfs/dbraw/zinc/33/57/66/562335766.db2.gz	PFOXVXHUIXZVLH-KRWDZBQOSA-N	1	1	351.447	2.134	20	30		FEEDMO
CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000529426954	562373532	/nfs/dbraw/zinc/37/35/32/562373532.db2.gz	JFROEWFZZPBIFL-KURKYZTESA-N	1	1	359.470	2.031	20	30		FEEDMO
COc1ccc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1OCCCC#N	ZINC000529668524	562380694	/nfs/dbraw/zinc/38/06/94/562380694.db2.gz	KTSLDTHTCTVLAU-BGYRXZFFSA-N	1	1	362.470	2.191	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(-c2ccncc2)n1	ZINC000529678715	562380933	/nfs/dbraw/zinc/38/09/33/562380933.db2.gz	NZBINJKKQWSJQS-FIAZIHOUSA-N	1	1	369.494	2.344	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)C1=O	ZINC000531706202	562454407	/nfs/dbraw/zinc/45/44/07/562454407.db2.gz	IYIRZBFJTHGUTB-QUCCMNQESA-N	1	1	354.450	2.298	20	30		FEEDMO
CNC(=O)CC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	ZINC000532546510	562480992	/nfs/dbraw/zinc/48/09/92/562480992.db2.gz	XZVVKBTYBIUAPG-UHFFFAOYSA-N	1	1	359.474	2.098	20	30		FEEDMO
CNC(=O)CC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	ZINC000532546510	562480993	/nfs/dbraw/zinc/48/09/93/562480993.db2.gz	XZVVKBTYBIUAPG-UHFFFAOYSA-N	1	1	359.474	2.098	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000536587458	562579809	/nfs/dbraw/zinc/57/98/09/562579809.db2.gz	GWVVOYJXHWMDMC-INIZCTEOSA-N	1	1	365.474	2.191	20	30		FEEDMO
CC(=O)NCC[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000568117469	567890711	/nfs/dbraw/zinc/89/07/11/567890711.db2.gz	SFNCXCUVJGSSLC-QUCCMNQESA-N	1	1	368.481	2.292	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1	ZINC000568503775	568039641	/nfs/dbraw/zinc/03/96/41/568039641.db2.gz	RTOBZBOPKFLKRB-FQEVSTJZSA-N	1	1	353.466	2.456	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)n1cc(C[NH+]2CCCC2)nn1	ZINC000603177984	568068303	/nfs/dbraw/zinc/06/83/03/568068303.db2.gz	RNDHPNXGPAXMJD-MRXNPFEDSA-N	1	1	352.442	2.382	20	30		FEEDMO
Cc1ccccc1C[N@H+]1CCCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000603603221	568124984	/nfs/dbraw/zinc/12/49/84/568124984.db2.gz	WFHHPVMOPWLNEM-OAQYLSRUSA-N	1	1	354.498	2.311	20	30		FEEDMO
Cc1cc(N2CCC[C@@H]([NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)nc(C)[nH+]1	ZINC000738409299	600568950	/nfs/dbraw/zinc/56/89/50/600568950.db2.gz	SLOCCMZEIXEPBQ-MJGOQNOKSA-N	1	1	365.437	2.349	20	30		FEEDMO
Cc1cc(N2CCC([NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)nc(C)[nH+]1	ZINC000832888104	601381822	/nfs/dbraw/zinc/38/18/22/601381822.db2.gz	CJQKPGXKVQZHPV-IBGZPJMESA-N	1	1	365.437	2.349	20	30		FEEDMO
C#CC[C@]1(C(=O)NCC[N@H+](C)C(C)C)CCCN1C(=O)OC(C)(C)C	ZINC000809647137	674503069	/nfs/dbraw/zinc/50/30/69/674503069.db2.gz	KHUJPEYZPORUDS-LJQANCHMSA-N	1	1	351.491	2.236	20	30		FEEDMO
N#Cc1nc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1C(F)(F)F	ZINC000558570426	674504014	/nfs/dbraw/zinc/50/40/14/674504014.db2.gz	KKRCIOWVDWNOMO-DZGCQCFKSA-N	1	1	354.376	3.027	20	30		FEEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000819745702	606888571	/nfs/dbraw/zinc/88/85/71/606888571.db2.gz	PYUPKEKHKQZZFY-IBGZPJMESA-N	1	1	360.421	2.460	20	30		FEEDMO
C#CCNC(=O)CC[N@H+](C)[C@H]1CCOc2ccc(Br)cc21	ZINC000815099891	674917930	/nfs/dbraw/zinc/91/79/30/674917930.db2.gz	OCEPRFNCFQKKJQ-AWEZNQCLSA-N	1	1	351.244	2.344	20	30		FEEDMO
C[N@H+](Cc1cccnc1)C[C@H]1CCN(S(=O)(=O)CCC(C)(C)C#N)C1	ZINC000569532176	670574085	/nfs/dbraw/zinc/57/40/85/670574085.db2.gz	RGHWVKLYDSLXQL-QGZVFWFLSA-N	1	1	364.515	2.105	20	30		FEEDMO
C=CCn1c(-c2cnccn2)nn(CN(C)C[C@@H]2CCC[N@H+]2C)c1=S	ZINC000817374712	675126781	/nfs/dbraw/zinc/12/67/81/675126781.db2.gz	UZRUVGIREUCYCG-AWEZNQCLSA-N	1	1	359.503	2.041	20	30		FEEDMO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCCC)c1	ZINC000571916574	670940737	/nfs/dbraw/zinc/94/07/37/670940737.db2.gz	HBWSNKIKOPXTCE-HNNXBMFYSA-N	1	1	367.515	2.001	20	30		FEEDMO
CCOC(=O)COCC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000573022583	671072014	/nfs/dbraw/zinc/07/20/14/671072014.db2.gz	LSDQYJSYIQLOTP-QGZVFWFLSA-N	1	1	365.861	2.102	20	30		FEEDMO
Cc1nsc(N2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)c1C#N	ZINC000577671759	671612478	/nfs/dbraw/zinc/61/24/78/671612478.db2.gz	FPPNELHPDOXUCJ-HNNXBMFYSA-N	1	1	361.515	2.236	20	30		FEEDMO
N#Cc1ncc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1Cl	ZINC000581174962	671870344	/nfs/dbraw/zinc/87/03/44/671870344.db2.gz	MIUAXXPRZHRWRF-HOCLYGCPSA-N	1	1	363.849	2.372	20	30		FEEDMO
C#CC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCc2ccccc21	ZINC000120939993	671939457	/nfs/dbraw/zinc/93/94/57/671939457.db2.gz	PGWYMWPXBNDMQM-HXUWFJFHSA-N	1	1	354.475	2.499	20	30		FEEDMO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1	ZINC000121418636	671949158	/nfs/dbraw/zinc/94/91/58/671949158.db2.gz	MPZUBHCZBCYRES-CABCVRRESA-N	1	1	369.458	2.265	20	30		FEEDMO
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CO[NH+]=C(N)C1CCOCC1	ZINC000151618499	672166774	/nfs/dbraw/zinc/16/67/74/672166774.db2.gz	XNKXMNDQNYYVCF-NSHDSACASA-N	1	1	355.385	2.200	20	30		FEEDMO
N#CC1(CS(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1	ZINC000584689344	672205879	/nfs/dbraw/zinc/20/58/79/672205879.db2.gz	JDPQNJTVGCDCGV-QZTJIDSGSA-N	1	1	359.495	2.074	20	30		FEEDMO
C=C(C)CN(C)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000181407999	672426601	/nfs/dbraw/zinc/42/66/01/672426601.db2.gz	MCTYIFVTWXTBMK-UHFFFAOYSA-N	1	1	354.495	2.147	20	30		FEEDMO
CC(C)[C@H](C#N)N1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1	ZINC000611431810	676036903	/nfs/dbraw/zinc/03/69/03/676036903.db2.gz	BOINZJTVKCDZPV-MJGOQNOKSA-N	1	1	365.905	2.383	20	30		FEEDMO
Cc1ccc(CNS(=O)(=O)c2cccc(C#N)c2)c(N2CCCC2)[nH+]1	ZINC000611584380	676046219	/nfs/dbraw/zinc/04/62/19/676046219.db2.gz	AMIQDSPESPWAJP-UHFFFAOYSA-N	1	1	356.451	2.340	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1	ZINC000245545250	672820528	/nfs/dbraw/zinc/82/05/28/672820528.db2.gz	SZUUXCQXECHQKD-RDJZCZTQSA-N	1	1	365.499	2.271	20	30		FEEDMO
C=CC[N@@H+](C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000249515019	672871970	/nfs/dbraw/zinc/87/19/70/672871970.db2.gz	QCNDGZTZDYAJOO-MAUKXSAKSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CC[N@H+](C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000249515019	672871973	/nfs/dbraw/zinc/87/19/73/672871973.db2.gz	QCNDGZTZDYAJOO-MAUKXSAKSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=C[C@](C)(O)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000612442288	676082444	/nfs/dbraw/zinc/08/24/44/676082444.db2.gz	UBYSODIMTWMLMS-KRWDZBQOSA-N	1	1	367.287	2.467	20	30		FEEDMO
Cc1ncc(CNC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)s1	ZINC000328858906	673068006	/nfs/dbraw/zinc/06/80/06/673068006.db2.gz	YJLUHRPJYMWBHP-UHFFFAOYSA-N	1	1	365.547	2.356	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)[N@H+](C)C1	ZINC000329018456	673071103	/nfs/dbraw/zinc/07/11/03/673071103.db2.gz	HCFBXBDCKDQQQK-WOPDTQHZSA-N	1	1	360.380	2.140	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)[N@@H+](C)C1	ZINC000329018456	673071108	/nfs/dbraw/zinc/07/11/08/673071108.db2.gz	HCFBXBDCKDQQQK-WOPDTQHZSA-N	1	1	360.380	2.140	20	30		FEEDMO
CC(C)[C@@H](C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000329839037	673083821	/nfs/dbraw/zinc/08/38/21/673083821.db2.gz	VWQKCFLLXWCTCX-OEODGGQDSA-N	1	1	351.491	2.086	20	30		FEEDMO
CC(C)[C@@H](C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000329839037	673083824	/nfs/dbraw/zinc/08/38/24/673083824.db2.gz	VWQKCFLLXWCTCX-OEODGGQDSA-N	1	1	351.491	2.086	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N(C[C@H](c2ccccc2Cl)[NH+](C)C)C1=O	ZINC000348459988	673115431	/nfs/dbraw/zinc/11/54/31/673115431.db2.gz	KJCAQMKILWIQJU-HUUCEWRRSA-N	1	1	351.834	2.066	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1	ZINC000594778949	673139358	/nfs/dbraw/zinc/13/93/58/673139358.db2.gz	CGUOGYJXRGCQFM-HIFRSBDPSA-N	1	1	361.492	2.406	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1	ZINC000594778949	673139360	/nfs/dbraw/zinc/13/93/60/673139360.db2.gz	CGUOGYJXRGCQFM-HIFRSBDPSA-N	1	1	361.492	2.406	20	30		FEEDMO
Cn1cc[nH+]c1[C@@H]1CCCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000365681226	673144824	/nfs/dbraw/zinc/14/48/24/673144824.db2.gz	YKZFVPBPAPSYHE-HUUCEWRRSA-N	1	1	355.467	2.338	20	30		FEEDMO
CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1	ZINC000371906729	673150448	/nfs/dbraw/zinc/15/04/48/673150448.db2.gz	BJGCNRXCPQWYHH-QRQLOZEOSA-N	1	1	361.511	2.430	20	30		FEEDMO
CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1	ZINC000371906729	673150451	/nfs/dbraw/zinc/15/04/51/673150451.db2.gz	BJGCNRXCPQWYHH-QRQLOZEOSA-N	1	1	361.511	2.430	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](N2CCOCC2)CC1	ZINC000595469320	673254941	/nfs/dbraw/zinc/25/49/41/673254941.db2.gz	FLLHZERJNGSYFD-INIZCTEOSA-N	1	1	362.499	2.135	20	30		FEEDMO
N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1	ZINC000595496112	673258057	/nfs/dbraw/zinc/25/80/57/673258057.db2.gz	VPWUMIUDQWJXRG-HUUCEWRRSA-N	1	1	359.499	2.078	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1	ZINC000730258728	673267883	/nfs/dbraw/zinc/26/78/83/673267883.db2.gz	KBOJZWDOACTCER-UHFFFAOYSA-N	1	1	358.829	2.351	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)s1	ZINC000595624867	673274867	/nfs/dbraw/zinc/27/48/67/673274867.db2.gz	KLJKUUAATLSWEC-CALCHBBNSA-N	1	1	351.431	2.237	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595661486	673280066	/nfs/dbraw/zinc/28/00/66/673280066.db2.gz	CEMNPUKDUMMGCP-AWEZNQCLSA-N	1	1	361.515	2.324	20	30		FEEDMO
C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2nc(CC(=O)OCC)cs2)C1	ZINC000595661566	673280079	/nfs/dbraw/zinc/28/00/79/673280079.db2.gz	WXHDIGBDLLFOCF-ZDUSSCGKSA-N	1	1	351.472	2.475	20	30		FEEDMO
C=CC[C@H]1CCC[N@H+](CC(=O)Nc2nc(CC(=O)OCC)cs2)C1	ZINC000595661566	673280082	/nfs/dbraw/zinc/28/00/82/673280082.db2.gz	WXHDIGBDLLFOCF-ZDUSSCGKSA-N	1	1	351.472	2.475	20	30		FEEDMO
CC1(C)Cc2occc2C(=NNC(=S)NCCC[NH+]2CCOCC2)C1	ZINC000731486485	673332223	/nfs/dbraw/zinc/33/22/23/673332223.db2.gz	YSJNOMKKKPSGFQ-UHFFFAOYSA-N	1	1	364.515	2.143	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@](C)(C(F)F)O1	ZINC000595922975	673340342	/nfs/dbraw/zinc/34/03/42/673340342.db2.gz	UGEGIOHYZMBCJP-SIIHOXLZSA-N	1	1	354.397	2.237	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@@](C)(C(F)F)O1	ZINC000595922975	673340344	/nfs/dbraw/zinc/34/03/44/673340344.db2.gz	UGEGIOHYZMBCJP-SIIHOXLZSA-N	1	1	354.397	2.237	20	30		FEEDMO
Cn1ncc(Cl)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000596694702	673405220	/nfs/dbraw/zinc/40/52/20/673405220.db2.gz	OWFUVHWRYFDMSS-UHFFFAOYSA-N	1	1	357.845	2.293	20	30		FEEDMO
Cn1ncc(Cl)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000596694702	673405224	/nfs/dbraw/zinc/40/52/24/673405224.db2.gz	OWFUVHWRYFDMSS-UHFFFAOYSA-N	1	1	357.845	2.293	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)C1	ZINC000735310719	673490147	/nfs/dbraw/zinc/49/01/47/673490147.db2.gz	CQEPXSPRRPRBAT-GOSISDBHSA-N	1	1	362.905	2.454	20	30		FEEDMO
C=CC[C@H](CO)CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000540409208	673537857	/nfs/dbraw/zinc/53/78/57/673537857.db2.gz	BBINQMJWZGZEJM-HOTGVXAUSA-N	1	1	351.516	2.444	20	30		FEEDMO
C[C@@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)C[NH+]1CCOCC1	ZINC000737460192	673564983	/nfs/dbraw/zinc/56/49/83/673564983.db2.gz	OYGZDHNERYCCSU-LBPRGKRZSA-N	1	1	352.891	2.466	20	30		FEEDMO
C=CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000739912609	673638723	/nfs/dbraw/zinc/63/87/23/673638723.db2.gz	OMSBRFRYDYTYKZ-INIZCTEOSA-N	1	1	351.491	2.354	20	30		FEEDMO
CCc1ccc([C@H](CO)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000543842809	673674049	/nfs/dbraw/zinc/67/40/49/673674049.db2.gz	MOCCOKAUPKEDJM-IBGZPJMESA-N	1	1	358.463	2.218	20	30		FEEDMO
C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)NC3CCCC3)cn2)CC[N@H+]1C	ZINC000741460058	673687513	/nfs/dbraw/zinc/68/75/13/673687513.db2.gz	LAOHDHYUJVCAGQ-CYBMUJFWSA-N	1	1	365.503	2.185	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)cc1OC	ZINC000600166911	673745547	/nfs/dbraw/zinc/74/55/47/673745547.db2.gz	JSBBUNXAQAIFCG-UONOGXRCSA-N	1	1	369.845	2.269	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H](C(=O)OC)C2)cc1OC	ZINC000600166911	673745550	/nfs/dbraw/zinc/74/55/50/673745550.db2.gz	JSBBUNXAQAIFCG-UONOGXRCSA-N	1	1	369.845	2.269	20	30		FEEDMO
N#Cc1cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ncc1Br	ZINC000603269481	673920029	/nfs/dbraw/zinc/92/00/29/673920029.db2.gz	UXKPKXILMBPNJI-ZDUSSCGKSA-N	1	1	351.248	2.017	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCNc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603268109	673920183	/nfs/dbraw/zinc/92/01/83/673920183.db2.gz	FLZGUQJNGYEHOZ-CQSZACIVSA-N	1	1	350.488	2.023	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603290539	673923002	/nfs/dbraw/zinc/92/30/02/673923002.db2.gz	CCEPKOVNKGZTBZ-INIZCTEOSA-N	1	1	350.488	2.023	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCN(C)c1cc(C#N)c(Br)cn1	ZINC000603383733	673928139	/nfs/dbraw/zinc/92/81/39/673928139.db2.gz	ULGODWDTQZNGPL-UHFFFAOYSA-N	1	1	354.296	2.035	20	30		FEEDMO
CN(CCCN(C)c1cc(C#N)c(Br)cn1)CC[NH+](C)C	ZINC000603383733	673928142	/nfs/dbraw/zinc/92/81/42/673928142.db2.gz	ULGODWDTQZNGPL-UHFFFAOYSA-N	1	1	354.296	2.035	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1nc(NCc2ccco2)ncc1Cl	ZINC000818584606	675226222	/nfs/dbraw/zinc/22/62/22/675226222.db2.gz	RAFVKCJZARWTAP-UHFFFAOYSA-N	1	1	361.833	2.020	20	30		FEEDMO
C=CCn1c(Cc2nc(C)cs2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000566738325	675239079	/nfs/dbraw/zinc/23/90/79/675239079.db2.gz	WBJOWEODLWHVOC-OAHLLOKOSA-N	1	1	358.515	2.493	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)c1ccsc1	ZINC000566885668	675250011	/nfs/dbraw/zinc/25/00/11/675250011.db2.gz	AXLAZEKNJKOCOQ-OAHLLOKOSA-N	1	1	360.414	2.116	20	30		FEEDMO
C#C[C@H](NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C)c1ccc(Cl)cc1F	ZINC000820749411	675384906	/nfs/dbraw/zinc/38/49/06/675384906.db2.gz	AMCRRSUQDMIMBT-XNJGSVPQSA-N	1	1	367.852	2.250	20	30		FEEDMO
C#C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Cl)cc1F	ZINC000820750143	675385036	/nfs/dbraw/zinc/38/50/36/675385036.db2.gz	LAQUQOXGWRRHFE-WMLDXEAASA-N	1	1	367.852	2.299	20	30		FEEDMO
C#CCN(CC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C(=O)OC(C)(C)C	ZINC000824632348	675614292	/nfs/dbraw/zinc/61/42/92/675614292.db2.gz	FNVOYSZUOOPRSI-UHFFFAOYSA-N	1	1	351.491	2.190	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1	ZINC000824763813	675620900	/nfs/dbraw/zinc/62/09/00/675620900.db2.gz	FWEDGNOIQGBGGY-MRXNPFEDSA-N	1	1	362.495	2.086	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1	ZINC000824763813	675620901	/nfs/dbraw/zinc/62/09/01/675620901.db2.gz	FWEDGNOIQGBGGY-MRXNPFEDSA-N	1	1	362.495	2.086	20	30		FEEDMO
C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000827095711	675728740	/nfs/dbraw/zinc/72/87/40/675728740.db2.gz	LENJSUNHFBOYHZ-CJNGLKHVSA-N	1	1	350.846	2.165	20	30		FEEDMO
N#CCc1cccc(S(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000619473452	676378922	/nfs/dbraw/zinc/37/89/22/676378922.db2.gz	VKMYHBXGBHQWCP-KRWDZBQOSA-N	1	1	359.451	2.461	20	30		FEEDMO
N#CCc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000619492386	676380986	/nfs/dbraw/zinc/38/09/86/676380986.db2.gz	MQTCMELUYWUDKS-VQIMIIECSA-N	1	1	359.495	2.390	20	30		FEEDMO
CC(C)(C#N)c1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1	ZINC000619813418	676396018	/nfs/dbraw/zinc/39/60/18/676396018.db2.gz	WAOYGWGMTNKGJM-UHFFFAOYSA-N	1	1	361.511	2.488	20	30		FEEDMO
CC(C)(C#N)c1ccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1	ZINC000619813418	676396020	/nfs/dbraw/zinc/39/60/20/676396020.db2.gz	WAOYGWGMTNKGJM-UHFFFAOYSA-N	1	1	361.511	2.488	20	30		FEEDMO
C=CC(C)(C)CCNC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1	ZINC000624466049	676580506	/nfs/dbraw/zinc/58/05/06/676580506.db2.gz	GHFKOFIQISQWQD-UHFFFAOYSA-N	1	1	352.523	2.174	20	30		FEEDMO
C=CC(C)(C)CCNC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1	ZINC000624466049	676580508	/nfs/dbraw/zinc/58/05/08/676580508.db2.gz	GHFKOFIQISQWQD-UHFFFAOYSA-N	1	1	352.523	2.174	20	30		FEEDMO
CCOC(=O)[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)CC12COC2	ZINC000830268828	677032901	/nfs/dbraw/zinc/03/29/01/677032901.db2.gz	BOAOEILUDWFXJI-OAHLLOKOSA-N	1	1	364.829	2.254	20	30		FEEDMO
CCOC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC12COC2	ZINC000830268828	677032903	/nfs/dbraw/zinc/03/29/03/677032903.db2.gz	BOAOEILUDWFXJI-OAHLLOKOSA-N	1	1	364.829	2.254	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(=O)NC	ZINC000764204238	680802546	/nfs/dbraw/zinc/80/25/46/680802546.db2.gz	OMJIHZXVNSJSHN-GFCCVEGCSA-N	1	1	362.499	2.141	20	30		FEEDMO
CN(C)c1[nH+]cc(/C=C\C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1C	ZINC000840715827	680839363	/nfs/dbraw/zinc/83/93/63/680839363.db2.gz	DXGAPQHZPSFXSY-TWGQIWQCSA-N	1	1	369.393	2.379	20	30		FEEDMO
C#CCCCS(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000840949052	680856124	/nfs/dbraw/zinc/85/61/24/680856124.db2.gz	OTFXSPADNMIEGZ-UHFFFAOYSA-N	1	1	355.891	2.247	20	30		FEEDMO
C=CCCOCC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000675934621	679595172	/nfs/dbraw/zinc/59/51/72/679595172.db2.gz	QEXCGAIXPOUUJS-UHFFFAOYSA-N	1	1	351.878	2.171	20	30		FEEDMO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CC1	ZINC000748809785	679996700	/nfs/dbraw/zinc/99/67/00/679996700.db2.gz	KJXLHMOAVRHHQJ-ZDUSSCGKSA-N	1	1	354.281	2.421	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1	ZINC001015721774	680049497	/nfs/dbraw/zinc/04/94/97/680049497.db2.gz	OMDUQRZVMOXNIK-RKVPGOIHSA-N	1	1	350.409	2.289	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1	ZINC000832703489	680168301	/nfs/dbraw/zinc/16/83/01/680168301.db2.gz	WHYDIJIPRBGPKN-UHFFFAOYSA-N	1	1	352.479	2.080	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nn(C)cc2Cl)C1	ZINC001022834235	680241011	/nfs/dbraw/zinc/24/10/11/680241011.db2.gz	IUBRAUAUIIUMPV-LOUJCGABSA-N	1	1	366.893	2.182	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C(C)C)s2)C1	ZINC001022842714	680241924	/nfs/dbraw/zinc/24/19/24/680241924.db2.gz	AFPUFTQIOBOTAQ-FQLMCAECSA-N	1	1	364.515	2.380	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](C[C@H](OC)C2CCCC2)CC1	ZINC000981994323	680261091	/nfs/dbraw/zinc/26/10/91/680261091.db2.gz	CVRWNRXVXHVVQK-QYZOEREBSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1scnc1C)C2	ZINC000982023550	680263794	/nfs/dbraw/zinc/26/37/94/680263794.db2.gz	LTLLLTOYJQJCTP-CVEARBPZSA-N	1	1	361.511	2.467	20	30		FEEDMO
COc1cccc(S(C)(=O)=O)c1N=NC1CCCc2[nH+]c(N)ccc21	ZINC000834970242	680285302	/nfs/dbraw/zinc/28/53/02/680285302.db2.gz	UWEKVHIOPVSWHL-UHFFFAOYSA-N	1	1	360.439	2.228	20	30		FEEDMO
O=C1Nc2ccc(C(F)(F)F)cc2C1=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1	ZINC000753935360	680325246	/nfs/dbraw/zinc/32/52/46/680325246.db2.gz	NPVJXWZSUZLWRR-TXEJJXNPSA-N	1	1	351.332	2.222	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnsc2Cl)C1	ZINC001027117057	680355548	/nfs/dbraw/zinc/35/55/48/680355548.db2.gz	OUMZUFRXKIPSDP-OBJOEFQTSA-N	1	1	370.906	2.111	20	30		FEEDMO
C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001027463064	680358480	/nfs/dbraw/zinc/35/84/80/680358480.db2.gz	QPPLTMUAAQXLNG-XQQFMLRXSA-N	1	1	370.799	2.008	20	30		FEEDMO
C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001027463064	680358481	/nfs/dbraw/zinc/35/84/81/680358481.db2.gz	QPPLTMUAAQXLNG-XQQFMLRXSA-N	1	1	370.799	2.008	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1	ZINC000998110144	680375461	/nfs/dbraw/zinc/37/54/61/680375461.db2.gz	MHNLTJNSORRRTN-OAGGEKHMSA-N	1	1	355.910	2.166	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1	ZINC001028683734	680379763	/nfs/dbraw/zinc/37/97/63/680379763.db2.gz	FMHMILXRJYFULO-CWRNSKLLSA-N	1	1	371.319	2.396	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1	ZINC001028683734	680379769	/nfs/dbraw/zinc/37/97/69/680379769.db2.gz	FMHMILXRJYFULO-CWRNSKLLSA-N	1	1	371.319	2.396	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)s1	ZINC001028697330	680380439	/nfs/dbraw/zinc/38/04/39/680380439.db2.gz	NMGGCYGWPHLGFK-IDCJVQTKSA-N	1	1	359.495	2.373	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2snnc2C)C1	ZINC001028856072	680384949	/nfs/dbraw/zinc/38/49/49/680384949.db2.gz	WVAVJEKLOYORRC-ZOBUZTSGSA-N	1	1	364.515	2.156	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2ccns2)C1	ZINC001028855769	680385222	/nfs/dbraw/zinc/38/52/22/680385222.db2.gz	MKOSHDLJIHZVCB-NJAFHUGGSA-N	1	1	363.527	2.495	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2csc(C)n2)C1	ZINC001028860784	680385836	/nfs/dbraw/zinc/38/58/36/680385836.db2.gz	DTODCFVMMCDYDS-NJAFHUGGSA-N	1	1	363.527	2.413	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2snnc2C)C1	ZINC001029741532	680391156	/nfs/dbraw/zinc/39/11/56/680391156.db2.gz	VXJDPUJLRAIBKA-XHSDSOJGSA-N	1	1	364.515	2.108	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(C#N)s2)CC[N@H+]1C	ZINC001032412210	680412918	/nfs/dbraw/zinc/41/29/18/680412918.db2.gz	MJKWUMQIFGRJBW-DFEHZGFQSA-N	1	1	358.511	2.135	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C)s2)C1	ZINC001000408837	680430186	/nfs/dbraw/zinc/43/01/86/680430186.db2.gz	FVBNTMZYCZNNSW-ZOBUZTSGSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)C[C@H]2CCCOC2)CC1	ZINC000985435455	680447636	/nfs/dbraw/zinc/44/76/36/680447636.db2.gz	KVMAEVLTWOEWIB-QRQLOZEOSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@H+](C)Cc2cnns2)CC1	ZINC000985692910	680470826	/nfs/dbraw/zinc/47/08/26/680470826.db2.gz	PHXVWJAPJFSJNE-IRXDYDNUSA-N	1	1	364.515	2.332	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2cnns2)CC1	ZINC000985692910	680470830	/nfs/dbraw/zinc/47/08/30/680470830.db2.gz	PHXVWJAPJFSJNE-IRXDYDNUSA-N	1	1	364.515	2.332	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC[C@@H]2CCOC2)CC1	ZINC000985695493	680471451	/nfs/dbraw/zinc/47/14/51/680471451.db2.gz	WOWZOBGVWZZIKZ-NEWSRXKRSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#C[C@H](NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)c1ccc(Br)cc1	ZINC000836519597	680479681	/nfs/dbraw/zinc/47/96/81/680479681.db2.gz	OIRZZOOBFMUPQW-KBMXLJTQSA-N	1	1	362.271	2.469	20	30		FEEDMO
C=C(Br)CN1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1	ZINC001041296513	680503224	/nfs/dbraw/zinc/50/32/24/680503224.db2.gz	IBBYLAMYUUQNGO-INMHGKMJSA-N	1	1	370.335	2.160	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H](O)C2CCCCC2)C1	ZINC001042742061	680541039	/nfs/dbraw/zinc/54/10/39/680541039.db2.gz	BAHXQGRNJBGCKJ-QRVBRYPASA-N	1	1	350.503	2.051	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC001004549365	680559851	/nfs/dbraw/zinc/55/98/51/680559851.db2.gz	YHCZPTGUGNQUFK-IXDOHACOSA-N	1	1	367.921	2.344	20	30		FEEDMO
C#CCNC(=S)C(=C(O)C1=C(C)C(C(C)=O)C(C)=N1)[n+]1ccccc1	ZINC000759055419	680623909	/nfs/dbraw/zinc/62/39/09/680623909.db2.gz	UQSGPFMDWCDQPZ-UHFFFAOYSA-O	1	1	354.455	2.402	20	30		FEEDMO
C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ncc(C#N)cc2Cl)C1	ZINC001045497936	680632069	/nfs/dbraw/zinc/63/20/69/680632069.db2.gz	NVFNWVKOCAWXDS-FVQBIDKESA-N	1	1	361.877	2.398	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2	ZINC001045967143	680642711	/nfs/dbraw/zinc/64/27/11/680642711.db2.gz	NDWDGEDWHTVHQL-GJYPPUQNSA-N	1	1	367.921	2.345	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC#CC)CCC1(F)F	ZINC001046981351	680656062	/nfs/dbraw/zinc/65/60/62/680656062.db2.gz	YIIVXMTWKFFNAE-IKGGRYGDSA-N	1	1	354.441	2.454	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC#CC)CCC1(F)F	ZINC001046981351	680656065	/nfs/dbraw/zinc/65/60/65/680656065.db2.gz	YIIVXMTWKFFNAE-IKGGRYGDSA-N	1	1	354.441	2.454	20	30		FEEDMO
C=C(Br)CN1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1	ZINC001050523733	681049384	/nfs/dbraw/zinc/04/93/84/681049384.db2.gz	IBXVFQHQTCLPJR-HUUCEWRRSA-N	1	1	370.335	2.160	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1	ZINC000844360526	681053809	/nfs/dbraw/zinc/05/38/09/681053809.db2.gz	QSVHPPMVJARHAR-VCBZYWHSSA-N	1	1	351.491	2.304	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(c2ncc(C#N)cc2Cl)[C@@H]1C	ZINC001051027575	681060647	/nfs/dbraw/zinc/06/06/47/681060647.db2.gz	XDRKEICSXHRQIL-IOASZLSFSA-N	1	1	361.877	2.174	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC1CCCC1	ZINC001051153152	681064443	/nfs/dbraw/zinc/06/44/43/681064443.db2.gz	RGVIGZQEXVMCLV-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1CC1CCCC1	ZINC001051153152	681064444	/nfs/dbraw/zinc/06/44/44/681064444.db2.gz	RGVIGZQEXVMCLV-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCOCC2)CC1	ZINC001052786455	681086491	/nfs/dbraw/zinc/08/64/91/681086491.db2.gz	VSPJOUAVVDCQFR-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2	ZINC001054166998	681106299	/nfs/dbraw/zinc/10/62/99/681106299.db2.gz	OOPXZUXPMNEBRD-MPTZMVSHSA-N	1	1	350.890	2.477	20	30		FEEDMO
C=C[C@H](C)ONC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000845626410	681142037	/nfs/dbraw/zinc/14/20/37/681142037.db2.gz	GRIJMIXTAJYWOL-CGTJXYLNSA-N	1	1	352.523	2.471	20	30		FEEDMO
N#CCCNC(=O)C[NH+]1CCC(c2nc(-c3ccncc3)cs2)CC1	ZINC000932551900	681264025	/nfs/dbraw/zinc/26/40/25/681264025.db2.gz	MXLQWPLBKQMMCU-UHFFFAOYSA-N	1	1	355.467	2.414	20	30		FEEDMO
CON1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1	ZINC000846981521	681316731	/nfs/dbraw/zinc/31/67/31/681316731.db2.gz	ORANCKXXTRVWSD-ZDUSSCGKSA-N	1	1	362.499	2.252	20	30		FEEDMO
C[NH+](C)[C@H](C(=O)NCCNc1ccc(C#N)cn1)c1ccc(Cl)cc1	ZINC000847331719	681364120	/nfs/dbraw/zinc/36/41/20/681364120.db2.gz	KCZXSNCJNGRVQZ-KRWDZBQOSA-N	1	1	357.845	2.438	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1	ZINC000776592194	681412638	/nfs/dbraw/zinc/41/26/38/681412638.db2.gz	BZJNCAJUYPJVJD-CYBMUJFWSA-N	1	1	360.458	2.403	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](CCC(=O)N(C)CCC#N)CCN1C(=O)OC(C)(C)C	ZINC000776607971	681415380	/nfs/dbraw/zinc/41/53/80/681415380.db2.gz	YFOANOQIDOVPDJ-GJZGRUSLSA-N	1	1	352.479	2.078	20	30		FEEDMO
COCCS(=O)(=O)CCC[NH+]1CCC(c2ccc(C#N)cc2)CC1	ZINC000933613464	681441090	/nfs/dbraw/zinc/44/10/90/681441090.db2.gz	YHNXVZSHWSAXJA-UHFFFAOYSA-N	1	1	350.484	2.189	20	30		FEEDMO
C#CCOCC[N@@H+]1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000933860023	681475215	/nfs/dbraw/zinc/47/52/15/681475215.db2.gz	XIZTZGMTNQLZGN-MRXNPFEDSA-N	1	1	352.475	2.127	20	30		FEEDMO
CO[C@@H]1CC[C@H]1[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000934117085	681511106	/nfs/dbraw/zinc/51/11/06/681511106.db2.gz	JXKMVNNNGSCCDC-HZPDHXFCSA-N	1	1	354.372	2.282	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1	ZINC000934437588	681572968	/nfs/dbraw/zinc/57/29/68/681572968.db2.gz	IJYUFERBZYMRTK-IAGOWNOFSA-N	1	1	355.463	2.484	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2cnns2)CC1	ZINC000948852138	681602043	/nfs/dbraw/zinc/60/20/43/681602043.db2.gz	IKEKGPZNEFHVOT-PVAVHDDUSA-N	1	1	364.515	2.332	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2cnns2)CC1	ZINC000948852138	681602047	/nfs/dbraw/zinc/60/20/47/681602047.db2.gz	IKEKGPZNEFHVOT-PVAVHDDUSA-N	1	1	364.515	2.332	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)CCO2	ZINC000949146014	681620859	/nfs/dbraw/zinc/62/08/59/681620859.db2.gz	PUFTZJFBVSMDHI-SJORKVTESA-N	1	1	368.905	2.247	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@@H+](CCCC)CCO2	ZINC000949492391	681643891	/nfs/dbraw/zinc/64/38/91/681643891.db2.gz	AKQGEFBAGUTKNA-ROUUACIJSA-N	1	1	350.503	2.461	20	30		FEEDMO
C=CC1(CC(=O)N2CC[N@H+](CC)[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000935070817	681682375	/nfs/dbraw/zinc/68/23/75/681682375.db2.gz	KVYUWMDXSXTPDH-OAHLLOKOSA-N	1	1	351.491	2.352	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)CCC(=O)N1CCc2sccc2C1	ZINC000780354124	681817403	/nfs/dbraw/zinc/81/74/03/681817403.db2.gz	LPKSHRXRYDMDDY-INIZCTEOSA-N	1	1	360.479	2.054	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccnc(Cl)c3)C[C@H]21	ZINC000959944084	682012343	/nfs/dbraw/zinc/01/23/43/682012343.db2.gz	GKFSFIWRTYCCSU-LFRCEIEQSA-N	1	1	361.873	2.263	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccnc(Cl)c3)C[C@H]21	ZINC000959944084	682012349	/nfs/dbraw/zinc/01/23/49/682012349.db2.gz	GKFSFIWRTYCCSU-LFRCEIEQSA-N	1	1	361.873	2.263	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCN(c2ccccc2Cl)C1	ZINC000852357431	682265854	/nfs/dbraw/zinc/26/58/54/682265854.db2.gz	BECGAWAAXVFHTO-MRXNPFEDSA-N	1	1	362.905	2.421	20	30		FEEDMO
C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC000971707450	682367640	/nfs/dbraw/zinc/36/76/40/682367640.db2.gz	UYOVLEBDEOCTIB-ZACQAIPSSA-N	1	1	366.893	2.173	20	30		FEEDMO
C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC000971707450	682367646	/nfs/dbraw/zinc/36/76/46/682367646.db2.gz	UYOVLEBDEOCTIB-ZACQAIPSSA-N	1	1	366.893	2.173	20	30		FEEDMO
CCc1cccc(Cl)c1C=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000788700005	682552011	/nfs/dbraw/zinc/55/20/11/682552011.db2.gz	GZRVTWLFGZGMDA-UHFFFAOYSA-N	1	1	368.934	2.423	20	30		FEEDMO
C=CC[C@@]1(C(=O)N2CC[N@H+](C)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000790677720	682694513	/nfs/dbraw/zinc/69/45/13/682694513.db2.gz	LEBTWSKNTFEDID-KXBFYZLASA-N	1	1	351.491	2.495	20	30		FEEDMO
C=CC[C@@]1(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000790677720	682694516	/nfs/dbraw/zinc/69/45/16/682694516.db2.gz	LEBTWSKNTFEDID-KXBFYZLASA-N	1	1	351.491	2.495	20	30		FEEDMO
N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCCN2CCOC2=O)CC1	ZINC000791624897	682754833	/nfs/dbraw/zinc/75/48/33/682754833.db2.gz	PURCOPXCKMCCBM-KRWDZBQOSA-N	1	1	362.861	2.365	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl	ZINC000856781552	682810306	/nfs/dbraw/zinc/81/03/06/682810306.db2.gz	TZOGGZSLTCWEBL-QMMMGPOBSA-N	1	1	364.755	2.416	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOc2c(Br)cccc2C1	ZINC000792529107	682818914	/nfs/dbraw/zinc/81/89/14/682818914.db2.gz	VDZXJCPZYFHRHZ-HNNXBMFYSA-N	1	1	363.255	2.268	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOc2c(Br)cccc2C1	ZINC000792529107	682818919	/nfs/dbraw/zinc/81/89/19/682818919.db2.gz	VDZXJCPZYFHRHZ-HNNXBMFYSA-N	1	1	363.255	2.268	20	30		FEEDMO
CCC(=NNc1cc[nH+]cc1)c1ccc(Cl)c(S(=O)(=O)NC)c1	ZINC000794858013	683000210	/nfs/dbraw/zinc/00/02/10/683000210.db2.gz	PPQYWHZFVASARY-UHFFFAOYSA-N	1	1	352.847	2.291	20	30		FEEDMO
CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(C#N)ccc1Cl)C2	ZINC000926150075	683083062	/nfs/dbraw/zinc/08/30/62/683083062.db2.gz	FMTJDLULNQDWSZ-MTNOOBJLSA-N	1	1	361.873	2.421	20	30		FEEDMO
C=CC[N@@H+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000798184111	683318848	/nfs/dbraw/zinc/31/88/48/683318848.db2.gz	RSTKXFYEFSEVTP-JKSUJKDBSA-N	1	1	374.547	2.458	20	30		FEEDMO
C=CC[N@H+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000798184111	683318854	/nfs/dbraw/zinc/31/88/54/683318854.db2.gz	RSTKXFYEFSEVTP-JKSUJKDBSA-N	1	1	374.547	2.458	20	30		FEEDMO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000928121698	683399230	/nfs/dbraw/zinc/39/92/30/683399230.db2.gz	JSLSQPXORQTOPP-BFYDXBDKSA-N	1	1	356.388	2.493	20	30		FEEDMO
C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000928121698	683399238	/nfs/dbraw/zinc/39/92/38/683399238.db2.gz	JSLSQPXORQTOPP-BFYDXBDKSA-N	1	1	356.388	2.493	20	30		FEEDMO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000928121699	683399553	/nfs/dbraw/zinc/39/95/53/683399553.db2.gz	JSLSQPXORQTOPP-INMHGKMJSA-N	1	1	356.388	2.493	20	30		FEEDMO
C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000928121699	683399557	/nfs/dbraw/zinc/39/95/57/683399557.db2.gz	JSLSQPXORQTOPP-INMHGKMJSA-N	1	1	356.388	2.493	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)o1	ZINC000862537550	683598463	/nfs/dbraw/zinc/59/84/63/683598463.db2.gz	CLHCQJCRVCLVME-QOWREQOWSA-N	1	1	353.344	2.382	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)o1	ZINC000862537549	683598521	/nfs/dbraw/zinc/59/85/21/683598521.db2.gz	CLHCQJCRVCLVME-PUPMMZHASA-N	1	1	353.344	2.382	20	30		FEEDMO
C[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000929629825	683620542	/nfs/dbraw/zinc/62/05/42/683620542.db2.gz	ULKBVXHQWFUXLX-APPZFPTMSA-N	1	1	372.256	2.030	20	30		FEEDMO
C[N@@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000929629825	683620545	/nfs/dbraw/zinc/62/05/45/683620545.db2.gz	ULKBVXHQWFUXLX-APPZFPTMSA-N	1	1	372.256	2.030	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1	ZINC000930000615	683667327	/nfs/dbraw/zinc/66/73/27/683667327.db2.gz	NCCGKUBIBJYILY-QZTJIDSGSA-N	1	1	362.495	2.284	20	30		FEEDMO
COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1	ZINC000930451047	683735678	/nfs/dbraw/zinc/73/56/78/683735678.db2.gz	KTRDVGSKXGVCCB-RKDXNWHRSA-N	1	1	373.240	2.362	20	30		FEEDMO
COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1	ZINC000930451047	683735681	/nfs/dbraw/zinc/73/56/81/683735681.db2.gz	KTRDVGSKXGVCCB-RKDXNWHRSA-N	1	1	373.240	2.362	20	30		FEEDMO
N#CCc1ccsc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000867314027	684245498	/nfs/dbraw/zinc/24/54/98/684245498.db2.gz	KHLORGSCIQQJDC-QGZVFWFLSA-N	1	1	355.463	2.311	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC[C@@H]21	ZINC000867806602	684393992	/nfs/dbraw/zinc/39/39/92/684393992.db2.gz	GXSUNPWZOUGVQJ-ABAIWWIYSA-N	1	1	373.400	2.292	20	30		FEEDMO
N#Cc1cccc(C2(NC(=O)N[C@@H]3CCC[N@H+]4CCSC[C@H]34)CC2)c1	ZINC000925165852	684533758	/nfs/dbraw/zinc/53/37/58/684533758.db2.gz	LHJPYGDLSDZYPY-IAGOWNOFSA-N	1	1	356.495	2.426	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ncc(Br)s2)cc1	ZINC000872241247	684931186	/nfs/dbraw/zinc/93/11/86/684931186.db2.gz	ZKTUZOQOYJGVAN-LLVKDONJSA-N	1	1	368.256	2.307	20	30		FEEDMO
C#CC[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CCCC1	ZINC000876784899	686268179	/nfs/dbraw/zinc/26/81/79/686268179.db2.gz	QVJYNCCLDSFWIR-UHFFFAOYSA-N	1	1	371.300	2.474	20	30		FEEDMO
N#Cc1cnc(Cl)c(CNCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1	ZINC000877191247	686337954	/nfs/dbraw/zinc/33/79/54/686337954.db2.gz	MMZMMVMWCVPFEM-SFHVURJKSA-N	1	1	356.857	2.463	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@H](C[N@@H+]1CC[C@@](O)(CC#N)C1)CC(F)(F)F	ZINC000877606160	686420845	/nfs/dbraw/zinc/42/08/45/686420845.db2.gz	RGCRLDOCLNALNK-FZMZJTMJSA-N	1	1	351.369	2.183	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@H](C[N@H+]1CC[C@@](O)(CC#N)C1)CC(F)(F)F	ZINC000877606160	686420848	/nfs/dbraw/zinc/42/08/48/686420848.db2.gz	RGCRLDOCLNALNK-FZMZJTMJSA-N	1	1	351.369	2.183	20	30		FEEDMO
N#Cc1sccc1N1CC[NH+](C[C@H](O)C[C@H](O)c2ccccc2)CC1	ZINC000878888594	686683772	/nfs/dbraw/zinc/68/37/72/686683772.db2.gz	QDQGXQSOSSCOPM-AEFFLSMTSA-N	1	1	357.479	2.226	20	30		FEEDMO
CN(C[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)OC(C)(C)C	ZINC000879084916	686735133	/nfs/dbraw/zinc/73/51/33/686735133.db2.gz	YBHKVJDANIJCIO-HNNXBMFYSA-N	1	1	351.422	2.357	20	30		FEEDMO
CN(C[C@@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)OC(C)(C)C	ZINC000879084916	686735137	/nfs/dbraw/zinc/73/51/37/686735137.db2.gz	YBHKVJDANIJCIO-HNNXBMFYSA-N	1	1	351.422	2.357	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1	ZINC000880050401	686986751	/nfs/dbraw/zinc/98/67/51/686986751.db2.gz	BYTCEURTIANHDH-IVMMDQJWSA-N	1	1	358.360	2.340	20	30		FEEDMO
COC(=O)[C@]12CCC[C@H]1[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000880183150	687012762	/nfs/dbraw/zinc/01/27/62/687012762.db2.gz	MYVBSUIQICXJPB-LBTNJELSSA-N	1	1	359.451	2.143	20	30		FEEDMO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CC1	ZINC000880477609	687052542	/nfs/dbraw/zinc/05/25/42/687052542.db2.gz	LEMPBSGJIVXKEV-ZDUSSCGKSA-N	1	1	352.381	2.465	20	30		FEEDMO
N#CCSCCC[N@@H+]1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2	ZINC000880496463	687054782	/nfs/dbraw/zinc/05/47/82/687054782.db2.gz	WLLGIPYOIUALGE-LJQANCHMSA-N	1	1	359.495	2.137	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CC1)COCCO2	ZINC000880544541	687059420	/nfs/dbraw/zinc/05/94/20/687059420.db2.gz	IAEHOIJMMKLTFV-ZDUSSCGKSA-N	1	1	363.845	2.420	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2cc(C#N)c(F)cc2F)C[C@H](C)O1	ZINC000880712183	687077514	/nfs/dbraw/zinc/07/75/14/687077514.db2.gz	FJQHWLXBNRPWGS-TXEJJXNPSA-N	1	1	352.385	2.409	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2cc(C#N)c(F)cc2F)C[C@H](C)O1	ZINC000880712183	687077518	/nfs/dbraw/zinc/07/75/18/687077518.db2.gz	FJQHWLXBNRPWGS-TXEJJXNPSA-N	1	1	352.385	2.409	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCNC(=O)Nc2ccc(Br)c(C#N)n2)C1	ZINC000883093598	687562930	/nfs/dbraw/zinc/56/29/30/687562930.db2.gz	ACQUTSCZGIEBSA-JTQLQIEISA-N	1	1	352.236	2.179	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC[C@H]1F	ZINC000886287332	688225608	/nfs/dbraw/zinc/22/56/08/688225608.db2.gz	PEPPSNGTGJPNMN-RRFJBIMHSA-N	1	1	355.454	2.368	20	30		FEEDMO
C#CC[N@@H+](CC(=O)N(CC)CC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427404	688253929	/nfs/dbraw/zinc/25/39/29/688253929.db2.gz	JIAVMUSDPRRUFN-UHFFFAOYSA-N	1	1	351.491	2.190	20	30		FEEDMO
C#CC[N@H+](CC(=O)N(CC)CC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427404	688253934	/nfs/dbraw/zinc/25/39/34/688253934.db2.gz	JIAVMUSDPRRUFN-UHFFFAOYSA-N	1	1	351.491	2.190	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccccc1N[C@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000895565762	689736187	/nfs/dbraw/zinc/73/61/87/689736187.db2.gz	XYIDRCXRHRGJGQ-HOCLYGCPSA-N	1	1	367.540	2.143	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccccc1N[C@H]1CCC[N@H+]2CCSC[C@@H]12	ZINC000895565762	689736189	/nfs/dbraw/zinc/73/61/89/689736189.db2.gz	XYIDRCXRHRGJGQ-HOCLYGCPSA-N	1	1	367.540	2.143	20	30		FEEDMO
C=CCC1(O)CC[NH+](Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)CC1	ZINC000895835145	689777685	/nfs/dbraw/zinc/77/76/85/689777685.db2.gz	ARALKNSZCJEPEX-UHFFFAOYSA-N	1	1	368.861	2.116	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C	ZINC000896540832	689888763	/nfs/dbraw/zinc/88/87/63/689888763.db2.gz	YUNJPHPNQNWHHI-BBRMVZONSA-N	1	1	356.495	2.446	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(Br)c1	ZINC000897221952	689990813	/nfs/dbraw/zinc/99/08/13/689990813.db2.gz	QPNPQNPNVLOGNC-HZPDHXFCSA-N	1	1	350.260	2.356	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1	ZINC000897221952	689990814	/nfs/dbraw/zinc/99/08/14/689990814.db2.gz	QPNPQNPNVLOGNC-HZPDHXFCSA-N	1	1	350.260	2.356	20	30		FEEDMO
C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000897630484	690053438	/nfs/dbraw/zinc/05/34/38/690053438.db2.gz	ZRLIWXZITSQOBW-YPMHNXCESA-N	1	1	352.460	2.129	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCO[C@@H](c2ccc(C#N)cc2)C1	ZINC000899634920	690394158	/nfs/dbraw/zinc/39/41/58/690394158.db2.gz	CHYUERGXCCLEOO-QZTJIDSGSA-N	1	1	358.511	2.290	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906951255	691352487	/nfs/dbraw/zinc/35/24/87/691352487.db2.gz	ROINTWIILYBZEK-WBVHZDCISA-N	1	1	362.499	2.228	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC000907132283	691403612	/nfs/dbraw/zinc/40/36/12/691403612.db2.gz	YQTAEJOVJQFLJD-UHFFFAOYSA-N	1	1	372.288	2.035	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1	ZINC000907179366	691415396	/nfs/dbraw/zinc/41/53/96/691415396.db2.gz	XDBUAVLBDMLWJK-OAHLLOKOSA-N	1	1	364.858	2.188	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)c2ccccc2C#N)CCCO1	ZINC000907757846	691554380	/nfs/dbraw/zinc/55/43/80/691554380.db2.gz	XWZRKJJMCULAGG-CQSZACIVSA-N	1	1	351.397	2.267	20	30		FEEDMO
C[N@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000908005731	691596625	/nfs/dbraw/zinc/59/66/25/691596625.db2.gz	IWYIBRHDJBJEJE-OAHLLOKOSA-N	1	1	357.332	2.242	20	30		FEEDMO
CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)c(Cl)c2)C1	ZINC000908046417	691604953	/nfs/dbraw/zinc/60/49/53/691604953.db2.gz	RWOLWBOKFBTGOO-HNNXBMFYSA-N	1	1	363.845	2.103	20	30		FEEDMO
CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)c(Cl)c2)C1	ZINC000908046417	691604955	/nfs/dbraw/zinc/60/49/55/691604955.db2.gz	RWOLWBOKFBTGOO-HNNXBMFYSA-N	1	1	363.845	2.103	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C)cc1C=NO)C2	ZINC001164818802	720150768	/nfs/dbraw/zinc/15/07/68/720150768.db2.gz	UTNFGDJQVOMPGJ-ICSRJNTNSA-N	1	1	358.486	2.383	20	30		FEEDMO
N#Cc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2ccccc12	ZINC001164746441	720760115	/nfs/dbraw/zinc/76/01/15/720760115.db2.gz	YECNTQCOEOQBAD-DLBZAZTESA-N	1	1	372.432	2.238	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(C(C)C)ccc3C#N)CC[C@@H]2C1	ZINC001164855077	720837494	/nfs/dbraw/zinc/83/74/94/720837494.db2.gz	SRUXYDDBGZPOIQ-MJGOQNOKSA-N	1	1	358.486	2.250	20	30		FEEDMO
Cc1ccnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C#N	ZINC001164884963	721388076	/nfs/dbraw/zinc/38/80/76/721388076.db2.gz	BEQTWEOWAPSUSM-RXVVDRJESA-N	1	1	369.513	2.027	20	30		FEEDMO
Cc1ncc(C#N)c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164911913	721526009	/nfs/dbraw/zinc/52/60/09/721526009.db2.gz	XLWPCMKRCQUQPU-FUHWJXTLSA-N	1	1	353.401	2.138	20	30		FEEDMO
Cc1nc(C#N)cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164912095	721548708	/nfs/dbraw/zinc/54/87/08/721548708.db2.gz	YRRJPMHAWFGNQU-AEFFLSMTSA-N	1	1	353.401	2.138	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C#N)c2F)[C@H]2CCCO[C@@H]12	ZINC001164805660	721553351	/nfs/dbraw/zinc/55/33/51/721553351.db2.gz	OITWUJWIVOAJTC-YQVWRLOYSA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C#N)c2F)[C@H]2CCCO[C@@H]12	ZINC001164805660	721553352	/nfs/dbraw/zinc/55/33/52/721553352.db2.gz	OITWUJWIVOAJTC-YQVWRLOYSA-N	1	1	367.428	2.356	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccncc2)ccc1C#N	ZINC001164929180	721877159	/nfs/dbraw/zinc/87/71/59/721877159.db2.gz	AHWQXKWMMDPICI-UXHICEINSA-N	1	1	362.481	2.230	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(-c2ccncc2)ccc1C#N	ZINC001164929180	721877161	/nfs/dbraw/zinc/87/71/61/721877161.db2.gz	AHWQXKWMMDPICI-UXHICEINSA-N	1	1	362.481	2.230	20	30		FEEDMO
CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(C#N)cc1	ZINC000015368490	539617411	/nfs/dbraw/zinc/61/74/11/539617411.db2.gz	YMZONUGOTPZZFE-UHFFFAOYSA-N	1	1	362.477	2.334	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1ccc(C#N)cc1	ZINC000015368490	539617416	/nfs/dbraw/zinc/61/74/16/539617416.db2.gz	YMZONUGOTPZZFE-UHFFFAOYSA-N	1	1	362.477	2.334	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN(Cc2ccccc2)CC1)Cc1ccc(C#N)cc1	ZINC000015368490	539617419	/nfs/dbraw/zinc/61/74/19/539617419.db2.gz	YMZONUGOTPZZFE-UHFFFAOYSA-N	1	1	362.477	2.334	20	30		FEEDMO
C[C@@H](C(=O)NCC(F)(F)F)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000022850351	539700892	/nfs/dbraw/zinc/70/08/92/539700892.db2.gz	YODMBOQIUCWWJE-AWEZNQCLSA-N	1	1	368.403	2.133	20	30		FEEDMO
N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1	ZINC000025698441	539766770	/nfs/dbraw/zinc/76/67/70/539766770.db2.gz	DKRDLYYBNFGONU-FPOVZHCZSA-N	1	1	351.450	2.309	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)C1CC1	ZINC000027571436	539810480	/nfs/dbraw/zinc/81/04/80/539810480.db2.gz	JYNREGTWCSNMCG-FOIQADDNSA-N	1	1	354.454	2.146	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)C1CC1	ZINC000027571436	539810484	/nfs/dbraw/zinc/81/04/84/539810484.db2.gz	JYNREGTWCSNMCG-FOIQADDNSA-N	1	1	354.454	2.146	20	30		FEEDMO
COC(=O)c1cc(C[N@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)oc1C	ZINC000028695028	539835702	/nfs/dbraw/zinc/83/57/02/539835702.db2.gz	ZFMQAKLHMWQBIF-MRXNPFEDSA-N	1	1	372.421	2.312	20	30		FEEDMO
COC(=O)c1cc(C[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)oc1C	ZINC000028695028	539835705	/nfs/dbraw/zinc/83/57/05/539835705.db2.gz	ZFMQAKLHMWQBIF-MRXNPFEDSA-N	1	1	372.421	2.312	20	30		FEEDMO
CCCCNC(=O)C1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000029928406	539869153	/nfs/dbraw/zinc/86/91/53/539869153.db2.gz	YXGVVPPUESLZHH-IBGZPJMESA-N	1	1	368.481	2.292	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](C)C1	ZINC000041653143	540029711	/nfs/dbraw/zinc/02/97/11/540029711.db2.gz	OCMWGFHIVTVYNC-OLZOCXBDSA-N	1	1	362.861	2.387	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000041789197	540033236	/nfs/dbraw/zinc/03/32/36/540033236.db2.gz	FPFAVLQLVBJQKP-INIZCTEOSA-N	1	1	372.469	2.156	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)CCCCC1	ZINC000042979418	540084655	/nfs/dbraw/zinc/08/46/55/540084655.db2.gz	HKHWTUBHKZNMNN-UHFFFAOYSA-N	1	1	360.502	2.054	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000045771421	540226648	/nfs/dbraw/zinc/22/66/48/540226648.db2.gz	RJTIOFIOPNCJPJ-HXUWFJFHSA-N	1	1	356.470	2.065	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000045771421	540226652	/nfs/dbraw/zinc/22/66/52/540226652.db2.gz	RJTIOFIOPNCJPJ-HXUWFJFHSA-N	1	1	356.470	2.065	20	30		FEEDMO
Cc1cc(NC(=O)CC[N@H+]2CCCN(c3ccccc3C#N)CC2)no1	ZINC000046086534	540241553	/nfs/dbraw/zinc/24/15/53/540241553.db2.gz	XTDLVYWRYRTTOK-UHFFFAOYSA-N	1	1	353.426	2.396	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1	ZINC000046380718	540254882	/nfs/dbraw/zinc/25/48/82/540254882.db2.gz	XQJMPSMPIYCXJS-INIZCTEOSA-N	1	1	373.476	2.261	20	30		FEEDMO
C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000046518661	540260930	/nfs/dbraw/zinc/26/09/30/540260930.db2.gz	CWXUIEBNJYXQBS-KRWDZBQOSA-N	1	1	363.465	2.122	20	30		FEEDMO
C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)Cc1cccc(C#N)c1	ZINC000046518661	540260927	/nfs/dbraw/zinc/26/09/27/540260927.db2.gz	CWXUIEBNJYXQBS-KRWDZBQOSA-N	1	1	363.465	2.122	20	30		FEEDMO
C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046530021	540261055	/nfs/dbraw/zinc/26/10/55/540261055.db2.gz	JMPHXLFYYSITRV-QGZVFWFLSA-N	1	1	363.465	2.122	20	30		FEEDMO
C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000046530021	540261057	/nfs/dbraw/zinc/26/10/57/540261057.db2.gz	JMPHXLFYYSITRV-QGZVFWFLSA-N	1	1	363.465	2.122	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2nnc3n2CCC3)CC1	ZINC000047258334	540299130	/nfs/dbraw/zinc/29/91/30/540299130.db2.gz	MYWMDQRXQJUSMS-CQSZACIVSA-N	1	1	364.453	2.303	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)c1ccccc1	ZINC000047981394	540338352	/nfs/dbraw/zinc/33/83/52/540338352.db2.gz	CTTIGZUUJUIPQY-GOSISDBHSA-N	1	1	368.481	2.171	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CSc3nncs3)CC2)cc1	ZINC000048346355	540357658	/nfs/dbraw/zinc/35/76/58/540357658.db2.gz	ZMWMFFYLFURZDT-UHFFFAOYSA-N	1	1	373.507	2.236	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3nncs3)CC2)cc1	ZINC000048346355	540357661	/nfs/dbraw/zinc/35/76/61/540357661.db2.gz	ZMWMFFYLFURZDT-UHFFFAOYSA-N	1	1	373.507	2.236	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(NC(=O)c2scnc2C)CC1	ZINC000051099989	540422488	/nfs/dbraw/zinc/42/24/88/540422488.db2.gz	UZTIAPJJFBFJLT-UHFFFAOYSA-N	1	1	364.515	2.070	20	30		FEEDMO
C=C(C)C[N@H+](CC)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1	ZINC000051559931	540437465	/nfs/dbraw/zinc/43/74/65/540437465.db2.gz	AIQZBSMSTRGZOK-UHFFFAOYSA-N	1	1	359.518	2.455	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)NCc3cccs3)CC2)cc1	ZINC000054642633	540599714	/nfs/dbraw/zinc/59/97/14/540599714.db2.gz	WQZUSZRMVLQHHZ-UHFFFAOYSA-N	1	1	368.506	2.444	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NCCCCN1CC[NH+](CC)CC1	ZINC000056642746	540737563	/nfs/dbraw/zinc/73/75/63/540737563.db2.gz	HFVFTDAZAFOJPR-UHFFFAOYSA-N	1	1	373.501	2.496	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCCOC3)CC2)cc1	ZINC000057161963	540774228	/nfs/dbraw/zinc/77/42/28/540774228.db2.gz	RVLKEVQCQBPUGB-IBGZPJMESA-N	1	1	356.470	2.202	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C	ZINC000057665828	540806758	/nfs/dbraw/zinc/80/67/58/540806758.db2.gz	HKRCLFJELYTSOM-INIZCTEOSA-N	1	1	356.451	2.286	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+](C)C1CC1	ZINC000076301077	542258260	/nfs/dbraw/zinc/25/82/60/542258260.db2.gz	WLOXXJOFBOJKSC-JTQLQIEISA-N	1	1	368.359	2.114	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+](CC(=O)N2CCc3ccccc32)CC1	ZINC000064634465	541213855	/nfs/dbraw/zinc/21/38/55/541213855.db2.gz	MVPQYCCKHSPWJD-UHFFFAOYSA-N	1	1	361.449	2.055	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](CC(=O)N2CCc3ccccc32)CC1	ZINC000064634465	541213859	/nfs/dbraw/zinc/21/38/59/541213859.db2.gz	MVPQYCCKHSPWJD-UHFFFAOYSA-N	1	1	361.449	2.055	20	30		FEEDMO
COc1cc2c(cc1OC)CN(C(=O)CO[NH+]=C(N)CCC(C)C)CC2	ZINC000066374379	541310236	/nfs/dbraw/zinc/31/02/36/541310236.db2.gz	YLGWPEFSSNTVBM-UHFFFAOYSA-N	1	1	363.458	2.314	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@H+]2CCO[C@H](C)C2)CC1	ZINC000066561892	541335933	/nfs/dbraw/zinc/33/59/33/541335933.db2.gz	VIOKMERERRAKSV-CVEARBPZSA-N	1	1	356.470	2.070	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1	ZINC000066622053	541348657	/nfs/dbraw/zinc/34/86/57/541348657.db2.gz	NAFVEJQUMUYROX-INIZCTEOSA-N	1	1	354.454	2.066	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)NCCC[NH+]2CCOCC2)c1C#N	ZINC000066776384	541372488	/nfs/dbraw/zinc/37/24/88/541372488.db2.gz	PTTHEBQZGCQVJL-UHFFFAOYSA-N	1	1	360.483	2.005	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1	ZINC000066869204	541383832	/nfs/dbraw/zinc/38/38/32/541383832.db2.gz	AYRFUORYVBTIIM-QGZVFWFLSA-N	1	1	372.856	2.169	20	30		FEEDMO
Cc1occc1C(=O)NC1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000066891656	541386331	/nfs/dbraw/zinc/38/63/31/541386331.db2.gz	TYRTVDZZFOQROH-JLTOFOAXSA-N	1	1	374.485	2.225	20	30		FEEDMO
CC[N@@H+](CC(=O)NCC(C)(C)N1CCOCC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000066962075	541401672	/nfs/dbraw/zinc/40/16/72/541401672.db2.gz	OUFLYJMYHJMVET-KRWDZBQOSA-N	1	1	372.513	2.168	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@@H](O)COc2ccccc2F)CC1	ZINC000067460038	541466698	/nfs/dbraw/zinc/46/66/98/541466698.db2.gz	KXMAWXIRIASGLJ-QGZVFWFLSA-N	1	1	370.428	2.044	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[N@H+]1C	ZINC000542838648	541484561	/nfs/dbraw/zinc/48/45/61/541484561.db2.gz	MWMDCBAFBLDSGZ-OLZOCXBDSA-N	1	1	356.405	2.487	20	30		FEEDMO
CC[NH+](CC)CCOc1ccc(C(=O)NC2(C#N)CCN(C)CC2)cc1	ZINC000068432602	541591500	/nfs/dbraw/zinc/59/15/00/541591500.db2.gz	ZNAZFBUTKXEVPM-UHFFFAOYSA-N	1	1	358.486	2.125	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC#N)CCC#N)C1CCN(c2cccc(F)c2)CC1	ZINC000072826212	541873980	/nfs/dbraw/zinc/87/39/80/541873980.db2.gz	UTHQPNPYVOSZCK-UHFFFAOYSA-N	1	1	371.460	2.382	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1	ZINC000073312273	541942403	/nfs/dbraw/zinc/94/24/03/541942403.db2.gz	BBHDHSHLGFHGNR-IBGZPJMESA-N	1	1	350.422	2.265	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1	ZINC000073312273	541942409	/nfs/dbraw/zinc/94/24/09/541942409.db2.gz	BBHDHSHLGFHGNR-IBGZPJMESA-N	1	1	350.422	2.265	20	30		FEEDMO
COCC[N@@H+](C)CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1	ZINC000076460952	542281407	/nfs/dbraw/zinc/28/14/07/542281407.db2.gz	NAAQABJHVNNBOU-UHFFFAOYSA-N	1	1	357.410	2.038	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000077202539	542353319	/nfs/dbraw/zinc/35/33/19/542353319.db2.gz	XZCFKEVKSCCYJZ-MRXNPFEDSA-N	1	1	373.501	2.350	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1	ZINC000077276592	542360631	/nfs/dbraw/zinc/36/06/31/542360631.db2.gz	YCJMASCOADNBQV-KRWDZBQOSA-N	1	1	359.470	2.430	20	30		FEEDMO
CCCC[N@H+](CCOc1ccc(C#N)cc1OC)[C@@H]1CCS(=O)(=O)C1	ZINC000077284193	542361772	/nfs/dbraw/zinc/36/17/72/542361772.db2.gz	CWXYKZJMBLLPBU-MRXNPFEDSA-N	1	1	366.483	2.235	20	30		FEEDMO
CCCC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@@H]1CCS(=O)(=O)C1	ZINC000077284193	542361775	/nfs/dbraw/zinc/36/17/75/542361775.db2.gz	CWXYKZJMBLLPBU-MRXNPFEDSA-N	1	1	366.483	2.235	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000077538879	542394136	/nfs/dbraw/zinc/39/41/36/542394136.db2.gz	BXBSUJXWWZEGLT-OKILXGFUSA-N	1	1	360.433	2.120	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)c(F)c1	ZINC000080621868	542598253	/nfs/dbraw/zinc/59/82/53/542598253.db2.gz	UKCXJGMYWXOETL-SJORKVTESA-N	1	1	356.445	2.220	20	30		FEEDMO
Cc1cccc(NCCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[nH+]1	ZINC000080639756	542599121	/nfs/dbraw/zinc/59/91/21/542599121.db2.gz	ITBAKXQHIYTZCP-UHFFFAOYSA-N	1	1	350.831	2.306	20	30		FEEDMO
C[NH+]1CCN([C@H](C(=O)NCc2cc(C#N)ccc2F)c2ccccc2)CC1	ZINC000080792970	542608130	/nfs/dbraw/zinc/60/81/30/542608130.db2.gz	QHJWYFVHHNNYAZ-FQEVSTJZSA-N	1	1	366.440	2.302	20	30		FEEDMO
COCCC[N@H+]1CCCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000081085779	542629935	/nfs/dbraw/zinc/62/99/35/542629935.db2.gz	IQMPJMBOQOJESB-UHFFFAOYSA-N	1	1	364.877	2.194	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000084089953	542706908	/nfs/dbraw/zinc/70/69/08/542706908.db2.gz	NMWDHUWOTSOMAX-IRXDYDNUSA-N	1	1	363.483	2.174	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@@H](O)c2nccn2C)CC1	ZINC000089925583	542773621	/nfs/dbraw/zinc/77/36/21/542773621.db2.gz	YYSWKIFHYHZXCI-KBXCAEBGSA-N	1	1	367.453	2.064	20	30		FEEDMO
C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000089928218	542775055	/nfs/dbraw/zinc/77/50/55/542775055.db2.gz	WVPFVHRXBPUAFP-GDBMZVCRSA-N	1	1	368.399	2.266	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ncccc2F)CC1	ZINC000090633061	542787892	/nfs/dbraw/zinc/78/78/92/542787892.db2.gz	NMUSLUMIKLWRQE-UHFFFAOYSA-N	1	1	353.401	2.243	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](Cc3ccccc3)C2)CC1	ZINC000091581406	542813138	/nfs/dbraw/zinc/81/31/38/542813138.db2.gz	ISJMWIRWMQGQQA-NHCUHLMSSA-N	1	1	368.525	2.243	20	30		FEEDMO
CCOC(=O)C1(C)CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000092824151	542889234	/nfs/dbraw/zinc/88/92/34/542889234.db2.gz	WNXFJTBJGKTKMN-KRWDZBQOSA-N	1	1	355.438	2.329	20	30		FEEDMO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[NH+]2CCCC2)o1	ZINC000102101576	543060078	/nfs/dbraw/zinc/06/00/78/543060078.db2.gz	UQKOTEUELMAPIF-QGZVFWFLSA-N	1	1	366.421	2.352	20	30		FEEDMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000103284918	543101560	/nfs/dbraw/zinc/10/15/60/543101560.db2.gz	WPZRKSCFPJAPSC-ZIAGYGMSSA-N	1	1	362.861	2.172	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)CC1	ZINC000106039610	543186807	/nfs/dbraw/zinc/18/68/07/543186807.db2.gz	CZXOOOFLEDZRRC-UHFFFAOYSA-N	1	1	364.511	2.316	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC([C@H](O)c2ccccc2)CC1	ZINC000108814553	543304766	/nfs/dbraw/zinc/30/47/66/543304766.db2.gz	JUVVYFLNFHUEFO-HXUWFJFHSA-N	1	1	354.454	2.088	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(n3cncn3)CC2)c1	ZINC000109700008	543335163	/nfs/dbraw/zinc/33/51/63/543335163.db2.gz	HYMWZDMYNCOXII-UHFFFAOYSA-N	1	1	366.469	2.479	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC([C@H](C)O)CC2)cc1	ZINC000111286300	543392988	/nfs/dbraw/zinc/39/29/88/543392988.db2.gz	JZLOUPGWROQXMF-INIZCTEOSA-N	1	1	359.470	2.425	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1	ZINC000111911412	543424929	/nfs/dbraw/zinc/42/49/29/543424929.db2.gz	KEZVYLJXSSFYEL-OAHLLOKOSA-N	1	1	350.422	2.133	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@H](C)C1	ZINC000115273279	543557705	/nfs/dbraw/zinc/55/77/05/543557705.db2.gz	QJKXXGJCCUDWOT-APWZRJJASA-N	1	1	359.470	2.190	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c1	ZINC000117073686	543622443	/nfs/dbraw/zinc/62/24/43/543622443.db2.gz	IOCWBIHCCQFKHR-UHFFFAOYSA-N	1	1	362.433	2.095	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C	ZINC000118104038	543645760	/nfs/dbraw/zinc/64/57/60/543645760.db2.gz	CLUBPKPKCIDEQR-UONOGXRCSA-N	1	1	360.483	2.230	20	30		FEEDMO
C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCN(S(C)(=O)=O)CC1	ZINC000121285873	543691287	/nfs/dbraw/zinc/69/12/87/543691287.db2.gz	DTYGQARELRMYQC-UHFFFAOYSA-N	1	1	374.428	2.413	20	30		FEEDMO
C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000121297446	543692097	/nfs/dbraw/zinc/69/20/97/543692097.db2.gz	ICSFWJBFGQAGDQ-LLVKDONJSA-N	1	1	359.879	2.035	20	30		FEEDMO
C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000121297446	543692100	/nfs/dbraw/zinc/69/21/00/543692100.db2.gz	ICSFWJBFGQAGDQ-LLVKDONJSA-N	1	1	359.879	2.035	20	30		FEEDMO
C=CCOc1ccc(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1	ZINC000119830843	543672555	/nfs/dbraw/zinc/67/25/55/543672555.db2.gz	LLQBMZNOWIANQZ-HXUWFJFHSA-N	1	1	366.461	2.400	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](Cn2ccnn2)C1	ZINC000119881018	543673454	/nfs/dbraw/zinc/67/34/54/543673454.db2.gz	GCXQEECJPWTLAR-ROUUACIJSA-N	1	1	366.469	2.325	20	30		FEEDMO
N#Cc1ccc([C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)C(N)=O)cc1	ZINC000125273524	543871664	/nfs/dbraw/zinc/87/16/64/543871664.db2.gz	SFLKODGJEGHCKM-AWEZNQCLSA-N	1	1	365.220	2.455	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCC(C)(C)CC3)CC2)o1	ZINC000127133387	543975054	/nfs/dbraw/zinc/97/50/54/543975054.db2.gz	XKXWFHYCIKPIGL-UHFFFAOYSA-N	1	1	359.474	2.015	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000128195553	544038029	/nfs/dbraw/zinc/03/80/29/544038029.db2.gz	ULUILDYZMMPBIM-MAUKXSAKSA-N	1	1	357.454	2.353	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000128195553	544038031	/nfs/dbraw/zinc/03/80/31/544038031.db2.gz	ULUILDYZMMPBIM-MAUKXSAKSA-N	1	1	357.454	2.353	20	30		FEEDMO
C=C(C)COCCNC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1	ZINC000135012856	544331171	/nfs/dbraw/zinc/33/11/71/544331171.db2.gz	KTYLYKMBNGEDMV-UHFFFAOYSA-N	1	1	364.490	2.395	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccccc2C(C)(C)C#N)CC1	ZINC000135293783	544340746	/nfs/dbraw/zinc/34/07/46/544340746.db2.gz	JOYXLYDDUMAOLE-LJQANCHMSA-N	1	1	354.498	2.226	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000151603829	544561536	/nfs/dbraw/zinc/56/15/36/544561536.db2.gz	UVFDFISGIGMJTP-QGZVFWFLSA-N	1	1	354.454	2.268	20	30		FEEDMO
C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153267561	544753972	/nfs/dbraw/zinc/75/39/72/544753972.db2.gz	WNQRDVAWHWAXRU-UONOGXRCSA-N	1	1	366.469	2.094	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N1CCC([N@@H+](C)CCCO)CC1	ZINC000154970366	544972281	/nfs/dbraw/zinc/97/22/81/544972281.db2.gz	KBMPRBYKNYSMBB-UHFFFAOYSA-N	1	1	361.486	2.240	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC(OCCCO)CC2)cc1Cl	ZINC000155039599	544980316	/nfs/dbraw/zinc/98/03/16/544980316.db2.gz	XOMQUJOAYMCJKN-UHFFFAOYSA-N	1	1	351.834	2.014	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](Nc2c(C#N)cnc3c(F)c(F)c(F)cc32)C1	ZINC000553058861	674235790	/nfs/dbraw/zinc/23/57/90/674235790.db2.gz	RSDWXOASQRCSDG-LLVKDONJSA-N	1	1	350.344	2.078	20	30		FEEDMO
Cn1cc(C[NH+]2CCN(c3cccnn3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000180033793	327668757	/nfs/dbraw/zinc/66/87/57/327668757.db2.gz	FEVJTSGMTLPKKT-UHFFFAOYSA-N	1	1	359.437	2.071	20	30		FEEDMO
N#Cc1c(F)cccc1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1	ZINC000187377025	328020845	/nfs/dbraw/zinc/02/08/45/328020845.db2.gz	HPPUGFDSSAMICZ-HZPDHXFCSA-N	1	1	353.397	2.063	20	30		FEEDMO
C[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000188631025	328099922	/nfs/dbraw/zinc/09/99/22/328099922.db2.gz	JKCWUXZBPXNWHX-HNNXBMFYSA-N	1	1	361.511	2.095	20	30		FEEDMO
C[C@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O	ZINC000188631025	328099924	/nfs/dbraw/zinc/09/99/24/328099924.db2.gz	JKCWUXZBPXNWHX-HNNXBMFYSA-N	1	1	361.511	2.095	20	30		FEEDMO
N#Cc1cc(NC(=O)N2CC[NH+](CCO)CC2)ccc1Oc1ccccc1	ZINC000189482261	328150953	/nfs/dbraw/zinc/15/09/53/328150953.db2.gz	ZBRVGGQNFJOVOX-UHFFFAOYSA-N	1	1	366.421	2.492	20	30		FEEDMO
C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2sccc2C#N)CC1	ZINC000191902648	328287574	/nfs/dbraw/zinc/28/75/74/328287574.db2.gz	QGVOJBMCJOOHLX-UHFFFAOYSA-N	1	1	363.483	2.498	20	30		FEEDMO
C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2sccc2C#N)CC1	ZINC000191902648	328287575	/nfs/dbraw/zinc/28/75/75/328287575.db2.gz	QGVOJBMCJOOHLX-UHFFFAOYSA-N	1	1	363.483	2.498	20	30		FEEDMO
CCCCN(C)C(=O)C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000053239716	324734344	/nfs/dbraw/zinc/73/43/44/324734344.db2.gz	CMAKVAFGFASAIO-UHFFFAOYSA-N	1	1	356.470	2.467	20	30		FEEDMO
CC1CCC(N(C(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)C2CC2)CC1	ZINC000089943492	325343589	/nfs/dbraw/zinc/34/35/89/325343589.db2.gz	ULBXEMPETOEOEP-UHFFFAOYSA-N	1	1	372.517	2.298	20	30		FEEDMO
CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1O	ZINC000553896182	674293141	/nfs/dbraw/zinc/29/31/41/674293141.db2.gz	SLLCCEBBJWAHPE-JKSUJKDBSA-N	1	1	353.507	2.025	20	30		FEEDMO
COc1cc[nH+]c(N2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c1	ZINC000104717924	325543277	/nfs/dbraw/zinc/54/32/77/325543277.db2.gz	HGZUDRMMSJTLOW-HNNXBMFYSA-N	1	1	365.437	2.111	20	30		FEEDMO
C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000119859836	326205929	/nfs/dbraw/zinc/20/59/29/326205929.db2.gz	UWRKFXJNNWYSHC-QAPCUYQASA-N	1	1	368.481	2.057	20	30		FEEDMO
CCC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000121010251	326305980	/nfs/dbraw/zinc/30/59/80/326305980.db2.gz	XCJRXKDDNDKYQP-INIZCTEOSA-N	1	1	359.474	2.015	20	30		FEEDMO
Cc1ccc(NCCCNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)[nH+]c1	ZINC000126373893	326487954	/nfs/dbraw/zinc/48/79/54/326487954.db2.gz	VTIPLMAVRNHXIG-UHFFFAOYSA-N	1	1	367.453	2.118	20	30		FEEDMO
C[C@@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1CCSCC1	ZINC000152221179	326701878	/nfs/dbraw/zinc/70/18/78/326701878.db2.gz	RTYQXWMBTVRWJY-HNNXBMFYSA-N	1	1	359.495	2.365	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1ccc(F)cc1	ZINC000156640608	326839097	/nfs/dbraw/zinc/83/90/97/326839097.db2.gz	RDJVTVIOFWNYKA-MRXNPFEDSA-N	1	1	365.405	2.418	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000162185787	327019264	/nfs/dbraw/zinc/01/92/64/327019264.db2.gz	KYFUTDRHMCMSMN-ZDUSSCGKSA-N	1	1	361.389	2.340	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000162971313	327039366	/nfs/dbraw/zinc/03/93/66/327039366.db2.gz	DDMFEKWVWDWQCO-IDHHARJASA-N	1	1	366.465	2.361	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000162971313	327039368	/nfs/dbraw/zinc/03/93/68/327039368.db2.gz	DDMFEKWVWDWQCO-IDHHARJASA-N	1	1	366.465	2.361	20	30		FEEDMO
Cc1nc(CN2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)cs1	ZINC000171615793	327148454	/nfs/dbraw/zinc/14/84/54/327148454.db2.gz	RWTSDIQZFWWNBV-UHFFFAOYSA-N	1	1	369.494	2.470	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1	ZINC000171620857	327148600	/nfs/dbraw/zinc/14/86/00/327148600.db2.gz	NIFVSGHNAVBJMW-MRXNPFEDSA-N	1	1	364.453	2.304	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCOc2ccc(C#N)cc2)cc1	ZINC000174291111	327317574	/nfs/dbraw/zinc/31/75/74/327317574.db2.gz	DHACRMOKZPUDIZ-UHFFFAOYSA-N	1	1	373.478	2.156	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCOc2ccc(C#N)cc2)cc1	ZINC000174291111	327317575	/nfs/dbraw/zinc/31/75/75/327317575.db2.gz	DHACRMOKZPUDIZ-UHFFFAOYSA-N	1	1	373.478	2.156	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000175120968	327375218	/nfs/dbraw/zinc/37/52/18/327375218.db2.gz	COCXKYPUCFDPRU-UHFFFAOYSA-N	1	1	359.817	2.252	20	30		FEEDMO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC(Cc2[nH+]ccn2C)CC1	ZINC000177056871	327494046	/nfs/dbraw/zinc/49/40/46/327494046.db2.gz	QFIUWQNGFOPJDG-LJQANCHMSA-N	1	1	352.438	2.461	20	30		FEEDMO
C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264141111	328994646	/nfs/dbraw/zinc/99/46/46/328994646.db2.gz	ODNVYDIMNWUMEI-BEFAXECRSA-N	1	1	357.454	2.085	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CSc2ccc(C#N)cc2)CC1	ZINC000264510495	329031072	/nfs/dbraw/zinc/03/10/72/329031072.db2.gz	KAVLTBUAQFKOLD-SFHVURJKSA-N	1	1	372.538	2.279	20	30		FEEDMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000264746134	329056024	/nfs/dbraw/zinc/05/60/24/329056024.db2.gz	UCLIWLQFJKKDNC-GOEBONIOSA-N	1	1	363.458	2.143	20	30		FEEDMO
CN1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1=O	ZINC000265676392	329149226	/nfs/dbraw/zinc/14/92/26/329149226.db2.gz	ZJMOWUIFEWUVPX-HNNXBMFYSA-N	1	1	374.510	2.380	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)[C@@H]3CCN(C)C3=O)sc2C1	ZINC000265677709	329149284	/nfs/dbraw/zinc/14/92/84/329149284.db2.gz	ZTKUSZOCMQCTSM-IUODEOHRSA-N	1	1	374.510	2.236	20	30		FEEDMO
CC(C)OCC[NH+]1CCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000266964251	329277615	/nfs/dbraw/zinc/27/76/15/329277615.db2.gz	YZZBJKPSELGXFL-UHFFFAOYSA-N	1	1	355.442	2.151	20	30		FEEDMO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cc[nH+]c(N(C)C)c1	ZINC000267274584	329309486	/nfs/dbraw/zinc/30/94/86/329309486.db2.gz	TYKOLEHYFQDAHE-UHFFFAOYSA-N	1	1	363.425	2.250	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000267541712	329336646	/nfs/dbraw/zinc/33/66/46/329336646.db2.gz	DPGLJMHNHMEMDG-AWEZNQCLSA-N	1	1	360.433	2.407	20	30		FEEDMO
COC(=O)[C@]1(F)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000267776089	329356959	/nfs/dbraw/zinc/35/69/59/329356959.db2.gz	HDLIMJQXLFCGGS-KRWDZBQOSA-N	1	1	365.430	2.024	20	30		FEEDMO
COC(=O)[C@]1(F)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000267776089	329356962	/nfs/dbraw/zinc/35/69/62/329356962.db2.gz	HDLIMJQXLFCGGS-KRWDZBQOSA-N	1	1	365.430	2.024	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)o1	ZINC000286422337	330183797	/nfs/dbraw/zinc/18/37/97/330183797.db2.gz	GQAXKNGFNZTMNQ-ZDUSSCGKSA-N	1	1	351.453	2.328	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1	ZINC000367027885	330208667	/nfs/dbraw/zinc/20/86/67/330208667.db2.gz	HLNQKGGPVYJBHT-BBRMVZONSA-N	1	1	360.845	2.141	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1	ZINC000367027885	330208669	/nfs/dbraw/zinc/20/86/69/330208669.db2.gz	HLNQKGGPVYJBHT-BBRMVZONSA-N	1	1	360.845	2.141	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000805072688	674316900	/nfs/dbraw/zinc/31/69/00/674316900.db2.gz	OSFMPHISLOMHPB-LLVKDONJSA-N	1	1	372.288	2.083	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F	ZINC000805185272	674324533	/nfs/dbraw/zinc/32/45/33/674324533.db2.gz	DCHWGZXRFXQAKH-DYVFJYSZSA-N	1	1	367.852	2.421	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)OCC[NH+]3CCSCC3)C2)c(F)c1	ZINC000805590645	674346558	/nfs/dbraw/zinc/34/65/58/674346558.db2.gz	FZQZKIZHXULULZ-HNNXBMFYSA-N	1	1	363.458	2.116	20	30		FEEDMO
CC(C)OCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000328617643	519754791	/nfs/dbraw/zinc/75/47/91/519754791.db2.gz	CYMRFJLQLYWFRS-DOTOQJQBSA-N	1	1	351.495	2.074	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc1	ZINC000155463738	545529292	/nfs/dbraw/zinc/52/92/92/545529292.db2.gz	VXMICRXPJLVAPF-FQEVSTJZSA-N	1	1	361.449	2.057	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCOc1ccc(F)cc1	ZINC000155532278	545539000	/nfs/dbraw/zinc/53/90/00/545539000.db2.gz	YOOSWTXEXCOAHO-HNNXBMFYSA-N	1	1	355.417	2.467	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCOc1ccc(F)cc1	ZINC000155532278	545539006	/nfs/dbraw/zinc/53/90/06/545539006.db2.gz	YOOSWTXEXCOAHO-HNNXBMFYSA-N	1	1	355.417	2.467	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000155929422	545584283	/nfs/dbraw/zinc/58/42/83/545584283.db2.gz	KGTIUXUXCYPVMX-UGSOOPFHSA-N	1	1	370.428	2.111	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@H](C)O)c1C#N	ZINC000156356404	545620520	/nfs/dbraw/zinc/62/05/20/545620520.db2.gz	BUYKOEVRFPWMCT-LBPRGKRZSA-N	1	1	358.417	2.356	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@H](C)O)c1C#N	ZINC000156356404	545620526	/nfs/dbraw/zinc/62/05/26/545620526.db2.gz	BUYKOEVRFPWMCT-LBPRGKRZSA-N	1	1	358.417	2.356	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000156558234	545635692	/nfs/dbraw/zinc/63/56/92/545635692.db2.gz	GCGRRWCDRBNAGK-LJQANCHMSA-N	1	1	370.497	2.350	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000157042938	545692889	/nfs/dbraw/zinc/69/28/89/545692889.db2.gz	CAURIPBMMCPHKF-VQIMIIECSA-N	1	1	356.470	2.072	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000157042938	545692895	/nfs/dbraw/zinc/69/28/95/545692895.db2.gz	CAURIPBMMCPHKF-VQIMIIECSA-N	1	1	356.470	2.072	20	30		FEEDMO
C=C(C)CN(C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000477555053	561147786	/nfs/dbraw/zinc/14/77/86/561147786.db2.gz	BKIVLNPWBYYUHG-UHFFFAOYSA-N	1	1	358.486	2.433	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1	ZINC000157541316	545753810	/nfs/dbraw/zinc/75/38/10/545753810.db2.gz	IGDUTUZZGSLSLU-KRWDZBQOSA-N	1	1	369.421	2.319	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1C(=O)NCc1ccco1	ZINC000157541316	545753813	/nfs/dbraw/zinc/75/38/13/545753813.db2.gz	IGDUTUZZGSLSLU-KRWDZBQOSA-N	1	1	369.421	2.319	20	30		FEEDMO
N#Cc1cccc(/C=C/C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1	ZINC000160588401	546055247	/nfs/dbraw/zinc/05/52/47/546055247.db2.gz	MIQAVCYYQOYODJ-KSDPHVGKSA-N	1	1	361.445	2.323	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(NC(=O)c2ccoc2)CC1)C1(C#N)CCCCC1	ZINC000166439459	546157358	/nfs/dbraw/zinc/15/73/58/546157358.db2.gz	FWLCPMSAHYXUPU-UHFFFAOYSA-N	1	1	372.469	2.159	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)CC1	ZINC000171536625	546212691	/nfs/dbraw/zinc/21/26/91/546212691.db2.gz	NMIUDCFCQQTILW-UHFFFAOYSA-N	1	1	353.444	2.086	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1	ZINC000175939413	546377130	/nfs/dbraw/zinc/37/71/30/546377130.db2.gz	HGRRDGMNZPLVLV-INIZCTEOSA-N	1	1	370.384	2.182	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)CCCCC1	ZINC000177618564	546655311	/nfs/dbraw/zinc/65/53/11/546655311.db2.gz	GEYCCPHJOGUCHO-GOSISDBHSA-N	1	1	363.502	2.379	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)c3ccccc3OCC#N)CC2)nc(C)[nH+]1	ZINC000178179446	546753442	/nfs/dbraw/zinc/75/34/42/546753442.db2.gz	OTGAPQSXZGEIDI-UHFFFAOYSA-N	1	1	365.437	2.395	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000178450448	546795672	/nfs/dbraw/zinc/79/56/72/546795672.db2.gz	NOBDQAGVHCZVDC-QLFBSQMISA-N	1	1	356.470	2.288	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)c(F)c1	ZINC000178863798	546863111	/nfs/dbraw/zinc/86/31/11/546863111.db2.gz	UGHGBAMHKYRFCK-UHFFFAOYSA-N	1	1	358.417	2.113	20	30		FEEDMO
Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1C#N	ZINC000483277005	561272756	/nfs/dbraw/zinc/27/27/56/561272756.db2.gz	BYZZORIADWPXSE-FQEVSTJZSA-N	1	1	371.485	2.228	20	30		FEEDMO
Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@](C)(C(N)=O)C2)c1C#N	ZINC000483277005	561272757	/nfs/dbraw/zinc/27/27/57/561272757.db2.gz	BYZZORIADWPXSE-FQEVSTJZSA-N	1	1	371.485	2.228	20	30		FEEDMO
C[N@@H+](CCC1CC1)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000182969811	547581079	/nfs/dbraw/zinc/58/10/79/547581079.db2.gz	ARPORUIVPSCYGI-IBGZPJMESA-N	1	1	358.461	2.266	20	30		FEEDMO
C[C@]1(C(N)=O)CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000185915266	548058639	/nfs/dbraw/zinc/05/86/39/548058639.db2.gz	SPNDLGNMLKCCTO-GOSISDBHSA-N	1	1	360.483	2.167	20	30		FEEDMO
CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000186099319	548084102	/nfs/dbraw/zinc/08/41/02/548084102.db2.gz	LPYSXVQOMMURHN-SFHVURJKSA-N	1	1	370.478	2.238	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NCC(=O)NC2(C#N)CCCCC2)[C@H](C)C1	ZINC000187020467	548243190	/nfs/dbraw/zinc/24/31/90/548243190.db2.gz	PMTPLFHHRGRTDD-QZTJIDSGSA-N	1	1	364.534	2.056	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CC2(c3ccccc3)CC2)CC1	ZINC000189287835	548299633	/nfs/dbraw/zinc/29/96/33/548299633.db2.gz	JMMIJYGKPUPXPO-FQEVSTJZSA-N	1	1	368.525	2.342	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC1(O)CCOCC1	ZINC000189761854	548310958	/nfs/dbraw/zinc/31/09/58/548310958.db2.gz	SZUXSMQXQHCEHU-OAHLLOKOSA-N	1	1	352.500	2.125	20	30		FEEDMO
C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(=O)N(C)CCC#N	ZINC000189948293	548313707	/nfs/dbraw/zinc/31/37/07/548313707.db2.gz	NBRNFQIJMFRVKR-QZTJIDSGSA-N	1	1	356.514	2.495	20	30		FEEDMO
CNC(=O)[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1	ZINC000191610368	548348398	/nfs/dbraw/zinc/34/83/98/548348398.db2.gz	YSACDEIZNMGIDX-FQEVSTJZSA-N	1	1	363.461	2.333	20	30		FEEDMO
CNC(=O)[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1	ZINC000191610368	548348400	/nfs/dbraw/zinc/34/84/00/548348400.db2.gz	YSACDEIZNMGIDX-FQEVSTJZSA-N	1	1	363.461	2.333	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000192450078	548363745	/nfs/dbraw/zinc/36/37/45/548363745.db2.gz	MRTBEEWMXGYPRO-NSHGMRRFSA-N	1	1	362.514	2.196	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000194629366	548508375	/nfs/dbraw/zinc/50/83/75/548508375.db2.gz	USIUEHWVZZEUIA-IBGZPJMESA-N	1	1	361.445	2.245	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000195302760	548617046	/nfs/dbraw/zinc/61/70/46/548617046.db2.gz	MKHOTDNPZIOCLX-OTWHNJEPSA-N	1	1	372.513	2.363	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000195302760	548617049	/nfs/dbraw/zinc/61/70/49/548617049.db2.gz	MKHOTDNPZIOCLX-OTWHNJEPSA-N	1	1	372.513	2.363	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc(C#N)s3)CC2)CC1	ZINC000487280184	561367172	/nfs/dbraw/zinc/36/71/72/561367172.db2.gz	RCQYZLMFDCFNLG-UHFFFAOYSA-N	1	1	374.510	2.026	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000245609050	548956928	/nfs/dbraw/zinc/95/69/28/548956928.db2.gz	KWBPTZWCILVFAH-WMZOPIPTSA-N	1	1	369.465	2.421	20	30		FEEDMO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@H](Cc2[nH+]ccn2C)C1	ZINC000245820545	548998919	/nfs/dbraw/zinc/99/89/19/548998919.db2.gz	DVIAISONRRUIDR-VQIMIIECSA-N	1	1	352.438	2.461	20	30		FEEDMO
CCC[C@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1CCOC	ZINC000245926823	549021004	/nfs/dbraw/zinc/02/10/04/549021004.db2.gz	OSMQCPFGIVTSPN-PMACEKPBSA-N	1	1	370.497	2.096	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1	ZINC000246291437	549098489	/nfs/dbraw/zinc/09/84/89/549098489.db2.gz	OWCXWLOJHJGHAT-CGTJXYLNSA-N	1	1	357.454	2.026	20	30		FEEDMO
COc1cc(N[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)cc(OC)c1	ZINC000246548037	549158237	/nfs/dbraw/zinc/15/82/37/549158237.db2.gz	GRYCJHUBVIABTR-JKSUJKDBSA-N	1	1	374.485	2.341	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1	ZINC000246674146	549186760	/nfs/dbraw/zinc/18/67/60/549186760.db2.gz	LLRWGLOJBZNXCF-MJGOQNOKSA-N	1	1	356.470	2.159	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1	ZINC000489025183	561401901	/nfs/dbraw/zinc/40/19/01/561401901.db2.gz	GRHZMIMGCAIHBX-WMZOPIPTSA-N	1	1	371.412	2.375	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)C1=O	ZINC000489932194	561422655	/nfs/dbraw/zinc/42/26/55/561422655.db2.gz	IRBYAMDUUVVBGV-QWHCGFSZSA-N	1	1	356.392	2.405	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)c1occc1COc1cccc(C#N)c1	ZINC000264002516	549966677	/nfs/dbraw/zinc/96/66/77/549966677.db2.gz	RMVGSKNSHSHHKZ-UHFFFAOYSA-N	1	1	371.437	2.428	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000264747650	550000919	/nfs/dbraw/zinc/00/09/19/550000919.db2.gz	JJKTYYJXYOVQBE-ZDUSSCGKSA-N	1	1	356.923	2.345	20	30		FEEDMO
C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1cccc(C(N)=O)c1	ZINC000264822381	550002182	/nfs/dbraw/zinc/00/21/82/550002182.db2.gz	GFYZOHRMBFIXEO-GFCCVEGCSA-N	1	1	364.446	2.077	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)CCSc1nnc(C)[nH]1)C(C)C	ZINC000266820313	550024623	/nfs/dbraw/zinc/02/46/23/550024623.db2.gz	ICFAZEDRJUZZHJ-HNNXBMFYSA-N	1	1	351.520	2.410	20	30		FEEDMO
COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)CCCSCC#N)C2=O)c1	ZINC000267108701	550027754	/nfs/dbraw/zinc/02/77/54/550027754.db2.gz	WVFRSYNDSQLEJY-QGZVFWFLSA-N	1	1	363.483	2.388	20	30		FEEDMO
CN(C)C1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CCOCC1	ZINC000267436211	550031853	/nfs/dbraw/zinc/03/18/53/550031853.db2.gz	NWSPFAHMHCBORW-UHFFFAOYSA-N	1	1	360.380	2.423	20	30		FEEDMO
C=CC[N@@H+](CCc1ccco1)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000491305532	561444547	/nfs/dbraw/zinc/44/45/47/561444547.db2.gz	MKIQWDHWBMSYCU-IBGZPJMESA-N	1	1	358.486	2.002	20	30		FEEDMO
C=CC[N@H+](CCc1ccco1)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000491305532	561444548	/nfs/dbraw/zinc/44/45/48/561444548.db2.gz	MKIQWDHWBMSYCU-IBGZPJMESA-N	1	1	358.486	2.002	20	30		FEEDMO
C=CCC[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccccc1	ZINC000269335437	550182348	/nfs/dbraw/zinc/18/23/48/550182348.db2.gz	DJKAHVBLFWTHHU-QZTJIDSGSA-N	1	1	358.486	2.333	20	30		FEEDMO
C#CC[C@@H](NC(=O)NC1CC[NH+](CC(=O)NCCC)CC1)c1ccccc1	ZINC000270432889	550272026	/nfs/dbraw/zinc/27/20/26/550272026.db2.gz	PMLUHLALSWXUGY-LJQANCHMSA-N	1	1	370.497	2.041	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21)C1CC1	ZINC000270439282	550272623	/nfs/dbraw/zinc/27/26/23/550272623.db2.gz	JKUXVLVKVWNSHT-OXQOHEQNSA-N	1	1	351.454	2.309	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)CC1	ZINC000271987794	550414990	/nfs/dbraw/zinc/41/49/90/550414990.db2.gz	CYFFMUYZLAKEHS-GOSISDBHSA-N	1	1	354.498	2.255	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N[C@H](CC)c2ccccc2OCC)CC1	ZINC000272028023	550416970	/nfs/dbraw/zinc/41/69/70/550416970.db2.gz	OMPXXKSVILCKPE-LJQANCHMSA-N	1	1	357.498	2.294	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1	ZINC000272361854	550441221	/nfs/dbraw/zinc/44/12/21/550441221.db2.gz	SGZFUWCDVGSGKK-CRAIPNDOSA-N	1	1	357.454	2.133	20	30		FEEDMO
CC1(C#N)CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1	ZINC000272389534	550443521	/nfs/dbraw/zinc/44/35/21/550443521.db2.gz	IBPQMSQURCGARG-UHFFFAOYSA-N	1	1	356.470	2.354	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)CC1=O	ZINC000494411529	561469245	/nfs/dbraw/zinc/46/92/45/561469245.db2.gz	BVMKSDAMIVYFQF-DLBZAZTESA-N	1	1	362.518	2.108	20	30		FEEDMO
C=CCCCCNC(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1	ZINC000274503718	550541030	/nfs/dbraw/zinc/54/10/30/550541030.db2.gz	JVFVJNDYDQCPSJ-INIZCTEOSA-N	1	1	359.470	2.491	20	30		FEEDMO
C=CCNC(=O)C[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1	ZINC000275194531	550570958	/nfs/dbraw/zinc/57/09/58/550570958.db2.gz	DSBJEMYLMSYFQP-UHFFFAOYSA-N	1	1	358.360	2.171	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)c1cccnc1C#N	ZINC000276962483	550616137	/nfs/dbraw/zinc/61/61/37/550616137.db2.gz	DNNAXIKDNRJXFX-UHFFFAOYSA-N	1	1	358.467	2.272	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(Br)c1[O-]	ZINC000277476778	550675242	/nfs/dbraw/zinc/67/52/42/550675242.db2.gz	KHWBPVRLDLICHL-LBPRGKRZSA-N	1	1	355.280	2.043	20	30		FEEDMO
CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@@H](O)COc1ccccc1	ZINC000277843156	550720706	/nfs/dbraw/zinc/72/07/06/550720706.db2.gz	SDBLRDRTJWLZGT-YLJYHZDGSA-N	1	1	361.486	2.191	20	30		FEEDMO
N#C[C@H]1CC[C@@H]([N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1	ZINC000278602525	550803290	/nfs/dbraw/zinc/80/32/90/550803290.db2.gz	LWFWFBWJBDANBK-GOEBONIOSA-N	1	1	351.447	2.214	20	30		FEEDMO
N#C[C@H]1CC[C@@H]([N@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1	ZINC000278602525	550803292	/nfs/dbraw/zinc/80/32/92/550803292.db2.gz	LWFWFBWJBDANBK-GOEBONIOSA-N	1	1	351.447	2.214	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)C2=O)cc1	ZINC000279640143	550911427	/nfs/dbraw/zinc/91/14/27/550911427.db2.gz	ZXXILSBLLULIBW-OWCLPIDISA-N	1	1	367.371	2.441	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)C2=O)cc1	ZINC000279640143	550911429	/nfs/dbraw/zinc/91/14/29/550911429.db2.gz	ZXXILSBLLULIBW-OWCLPIDISA-N	1	1	367.371	2.441	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000279769117	550926950	/nfs/dbraw/zinc/92/69/50/550926950.db2.gz	SMEAKOPLVJXEKJ-JTDSTZFVSA-N	1	1	368.481	2.245	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000279769117	550926952	/nfs/dbraw/zinc/92/69/52/550926952.db2.gz	SMEAKOPLVJXEKJ-JTDSTZFVSA-N	1	1	368.481	2.245	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000280492445	550999872	/nfs/dbraw/zinc/99/98/72/550999872.db2.gz	AQUDUANJAYUZLR-HXUWFJFHSA-N	1	1	356.470	2.008	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1	ZINC000280662317	551018766	/nfs/dbraw/zinc/01/87/66/551018766.db2.gz	FGYQNHSKXACTAH-FZKQIMNGSA-N	1	1	360.483	2.217	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@](C)(C(N)=O)C1	ZINC000280662317	551018768	/nfs/dbraw/zinc/01/87/68/551018768.db2.gz	FGYQNHSKXACTAH-FZKQIMNGSA-N	1	1	360.483	2.217	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@](C)(C(N)=O)C2)c1	ZINC000280714083	551024417	/nfs/dbraw/zinc/02/44/17/551024417.db2.gz	JNDPKVJDJJWMTB-JXFKEZNVSA-N	1	1	356.470	2.136	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@](C)(C(N)=O)C3)sc2C1	ZINC000280868334	551040899	/nfs/dbraw/zinc/04/08/99/551040899.db2.gz	ZJAUXQIUFGNWLX-HXPMCKFVSA-N	1	1	374.510	2.270	20	30		FEEDMO
N#Cc1cc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)ccn1	ZINC000281463940	551100739	/nfs/dbraw/zinc/10/07/39/551100739.db2.gz	DCFFERGQABVZEM-SFHVURJKSA-N	1	1	352.463	2.301	20	30		FEEDMO
N#Cc1cc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)ccn1	ZINC000281463940	551100741	/nfs/dbraw/zinc/10/07/41/551100741.db2.gz	DCFFERGQABVZEM-SFHVURJKSA-N	1	1	352.463	2.301	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](CCC(=O)OC)Cc2ccc(F)c(F)c2)C1=O	ZINC000282136212	551185576	/nfs/dbraw/zinc/18/55/76/551185576.db2.gz	ZEBQOALWVINOAM-MRXNPFEDSA-N	1	1	352.381	2.117	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](CCC(=O)OC)Cc2ccc(F)c(F)c2)C1=O	ZINC000282136212	551185577	/nfs/dbraw/zinc/18/55/77/551185577.db2.gz	ZEBQOALWVINOAM-MRXNPFEDSA-N	1	1	352.381	2.117	20	30		FEEDMO
C[NH+]1CCN([C@H](C(=O)NCC2CCC(C#N)CC2)c2ccccc2)CC1	ZINC000282670167	551257748	/nfs/dbraw/zinc/25/77/48/551257748.db2.gz	KKAOKYDPNULCGE-QLOJAFMTSA-N	1	1	354.498	2.421	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c(F)c1	ZINC000283086329	551309548	/nfs/dbraw/zinc/30/95/48/551309548.db2.gz	YOSUACGRMOEXCJ-STQMWFEESA-N	1	1	363.408	2.121	20	30		FEEDMO
Cc1nn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(=O)c(C#N)c1C	ZINC000284401989	551541879	/nfs/dbraw/zinc/54/18/79/551541879.db2.gz	ZTNGDVYVOAPBKU-GOSISDBHSA-N	1	1	352.438	2.023	20	30		FEEDMO
C[N@H+]1CC[C@@H]2OCCN(Cc3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1	ZINC000284459100	551553599	/nfs/dbraw/zinc/55/35/99/551553599.db2.gz	AHKHPRQSWIXUIP-PMACEKPBSA-N	1	1	365.481	2.369	20	30		FEEDMO
CC[N@H+]1CC[C@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1	ZINC000284920504	551667823	/nfs/dbraw/zinc/66/78/23/551667823.db2.gz	ATGTVRJVKHXHPZ-MRXNPFEDSA-N	1	1	358.461	2.372	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)C2(CO)CC2)c1C#N	ZINC000285505454	551766552	/nfs/dbraw/zinc/76/65/52/551766552.db2.gz	NBULOXVWFLCVQI-UHFFFAOYSA-N	1	1	352.438	2.361	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](C)C2(CO)CC2)c1C#N	ZINC000285505454	551766555	/nfs/dbraw/zinc/76/65/55/551766555.db2.gz	NBULOXVWFLCVQI-UHFFFAOYSA-N	1	1	352.438	2.361	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1	ZINC000285576434	551777235	/nfs/dbraw/zinc/77/72/35/551777235.db2.gz	OCIPZLCIQLUAGH-ZBFHGGJFSA-N	1	1	358.360	2.077	20	30		FEEDMO
C[N@H+]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C(C)(C)C1	ZINC000285858982	551819989	/nfs/dbraw/zinc/81/99/89/551819989.db2.gz	QTSBGTSHHKWWNX-UHFFFAOYSA-N	1	1	358.461	2.466	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)C2)c(F)c1	ZINC000286886039	551936606	/nfs/dbraw/zinc/93/66/06/551936606.db2.gz	IUBFRHBWFYKECZ-DLBZAZTESA-N	1	1	356.445	2.220	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000287081354	551961175	/nfs/dbraw/zinc/96/11/75/551961175.db2.gz	OGDVWFGQPQDWOR-OAHLLOKOSA-N	1	1	360.433	2.344	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000287422894	552002229	/nfs/dbraw/zinc/00/22/29/552002229.db2.gz	QWXSSIJUPYNEBJ-QGZVFWFLSA-N	1	1	373.497	2.058	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000287503154	552012661	/nfs/dbraw/zinc/01/26/61/552012661.db2.gz	UPQDNANVOCIGPH-SIIHOXLZSA-N	1	1	356.445	2.123	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)NCCCCn1cc[nH+]c1C	ZINC000287736105	552040486	/nfs/dbraw/zinc/04/04/86/552040486.db2.gz	HFBFKSDECOLTTH-UHFFFAOYSA-N	1	1	368.481	2.345	20	30		FEEDMO
C=C(C)[C@H](NC(=O)N1CC[NH+](C[C@@H](C)O)CC1)c1ccc(F)c(F)c1	ZINC000288143468	552099048	/nfs/dbraw/zinc/09/90/48/552099048.db2.gz	KYYBBBQLLRAQMT-DYVFJYSZSA-N	1	1	353.413	2.290	20	30		FEEDMO
C=CCCCNC(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000288164382	552102748	/nfs/dbraw/zinc/10/27/48/552102748.db2.gz	MEZIRXPOFDQSIF-DZFIZOCASA-N	1	1	357.498	2.342	20	30		FEEDMO
C=C(CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1	ZINC000288238607	552116506	/nfs/dbraw/zinc/11/65/06/552116506.db2.gz	STQBLBUGNIDILX-YQQQUEKLSA-N	1	1	370.497	2.083	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)C1=O	ZINC000499943053	561562376	/nfs/dbraw/zinc/56/23/76/561562376.db2.gz	ZUKCPYJUJQAWMP-HIFRSBDPSA-N	1	1	373.280	2.452	20	30		FEEDMO
C#Cc1ccc(C[N@@H+]2CCCN(Cc3nc([C@H](C)OC)no3)CC2)cc1	ZINC000289214506	552283482	/nfs/dbraw/zinc/28/34/82/552283482.db2.gz	IVLSZZHGVJEDLL-INIZCTEOSA-N	1	1	354.454	2.466	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000289411482	552316943	/nfs/dbraw/zinc/31/69/43/552316943.db2.gz	GZPWQVIDTAAUGJ-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000289411482	552316945	/nfs/dbraw/zinc/31/69/45/552316945.db2.gz	GZPWQVIDTAAUGJ-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)C[N@H+](C)CCCC)c(F)c1	ZINC000289945775	552403688	/nfs/dbraw/zinc/40/36/88/552403688.db2.gz	CXPCYELQDTVBSH-GFCCVEGCSA-N	1	1	351.397	2.121	20	30		FEEDMO
CC[C@@](C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nc(C)cs1	ZINC000289979476	552409149	/nfs/dbraw/zinc/40/91/49/552409149.db2.gz	QMNXOFPONIPTLA-MRXNPFEDSA-N	1	1	364.496	2.407	20	30		FEEDMO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000290289272	552454652	/nfs/dbraw/zinc/45/46/52/552454652.db2.gz	ASIZVHQHBSUVLA-VXKWHMMOSA-N	1	1	362.473	2.210	20	30		FEEDMO
C[C@@]1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCOC1	ZINC000500840019	561583927	/nfs/dbraw/zinc/58/39/27/561583927.db2.gz	PBKOHTAAQLBGID-FQEVSTJZSA-N	1	1	356.470	2.202	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@@H]1C	ZINC000500934571	561586081	/nfs/dbraw/zinc/58/60/81/561586081.db2.gz	JKSAUIKOKHFJDL-XJKSGUPXSA-N	1	1	353.463	2.332	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)CC1	ZINC000291635930	552646055	/nfs/dbraw/zinc/64/60/55/552646055.db2.gz	BKOSMFLUKCNVII-CTNGQTDRSA-N	1	1	351.494	2.475	20	30		FEEDMO
Cc1nc(N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)ccc1C#N	ZINC000291943089	552677029	/nfs/dbraw/zinc/67/70/29/552677029.db2.gz	MXBZRPDYKDOFNH-QGZVFWFLSA-N	1	1	371.485	2.393	20	30		FEEDMO
CN(Cc1ccccc1F)C(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292198296	552703758	/nfs/dbraw/zinc/70/37/58/552703758.db2.gz	NOVWPZPKSHSHKX-KRWDZBQOSA-N	1	1	368.412	2.204	20	30		FEEDMO
CN(Cc1ccccc1F)C(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292198296	552703759	/nfs/dbraw/zinc/70/37/59/552703759.db2.gz	NOVWPZPKSHSHKX-KRWDZBQOSA-N	1	1	368.412	2.204	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OCC#N	ZINC000292431131	552726125	/nfs/dbraw/zinc/72/61/25/552726125.db2.gz	WCTFPHWBJFVYHY-XXIDSNJLSA-N	1	1	355.438	2.165	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H](O)CC2)c1C#N	ZINC000293229995	552801483	/nfs/dbraw/zinc/80/14/83/552801483.db2.gz	SENRTWZEEDNDRG-MRXNPFEDSA-N	1	1	370.453	2.403	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H](O)CC2)c1C#N	ZINC000293229995	552801485	/nfs/dbraw/zinc/80/14/85/552801485.db2.gz	SENRTWZEEDNDRG-MRXNPFEDSA-N	1	1	370.453	2.403	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1OC	ZINC000293459525	552826199	/nfs/dbraw/zinc/82/61/99/552826199.db2.gz	TYWYMJNVLABKNX-UHFFFAOYSA-N	1	1	372.252	2.012	20	30		FEEDMO
CC#CCN(C)C(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1	ZINC000293493967	552829485	/nfs/dbraw/zinc/82/94/85/552829485.db2.gz	POIVSAFCMDQJHI-UHFFFAOYSA-N	1	1	352.438	2.475	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1N1CCCCCC1	ZINC000293508591	552830905	/nfs/dbraw/zinc/83/09/05/552830905.db2.gz	XUZBPRVXTFUBEW-UHFFFAOYSA-N	1	1	370.497	2.077	20	30		FEEDMO
Cc1nsc(N2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)c1C#N	ZINC000293735371	552851447	/nfs/dbraw/zinc/85/14/47/552851447.db2.gz	ZPQNRGVONPXIJE-INIZCTEOSA-N	1	1	360.458	2.188	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000294243635	552890656	/nfs/dbraw/zinc/89/06/56/552890656.db2.gz	PLRYHWPSJUYSFI-IAGOWNOFSA-N	1	1	351.447	2.086	20	30		FEEDMO
C[C@@H]([N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)(C)O	ZINC000295123357	552961196	/nfs/dbraw/zinc/96/11/96/552961196.db2.gz	JBDWKAWPFGWWBC-CYBMUJFWSA-N	1	1	356.388	2.264	20	30		FEEDMO
CC(C)(C[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1)C(N)=O	ZINC000295468648	553011464	/nfs/dbraw/zinc/01/14/64/553011464.db2.gz	GABJCQCCBSYOFZ-ZFWWWQNUSA-N	1	1	374.510	2.339	20	30		FEEDMO
CC(C)(C[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1)C(N)=O	ZINC000295468648	553011467	/nfs/dbraw/zinc/01/14/67/553011467.db2.gz	GABJCQCCBSYOFZ-ZFWWWQNUSA-N	1	1	374.510	2.339	20	30		FEEDMO
C=CCc1cc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc(OC)c1OC	ZINC000295581070	553028247	/nfs/dbraw/zinc/02/82/47/553028247.db2.gz	VRRPFZAXDUHTFR-KRWDZBQOSA-N	1	1	362.470	2.009	20	30		FEEDMO
CC1(C)C[C@@H](O)CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000295988642	553085459	/nfs/dbraw/zinc/08/54/59/553085459.db2.gz	JTEZQOKOPLGFDI-KRWDZBQOSA-N	1	1	367.453	2.165	20	30		FEEDMO
CC1(C)C[C@@H](O)CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000295988642	553085461	/nfs/dbraw/zinc/08/54/61/553085461.db2.gz	JTEZQOKOPLGFDI-KRWDZBQOSA-N	1	1	367.453	2.165	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@H](C)c1ccc(Br)cn1	ZINC000296943524	553232949	/nfs/dbraw/zinc/23/29/49/553232949.db2.gz	PJAWOWNBARELDM-GFCCVEGCSA-N	1	1	353.264	2.159	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1c2ccccc2CC12CCOCC2	ZINC000297256309	553270052	/nfs/dbraw/zinc/27/00/52/553270052.db2.gz	YRSGDVIHBWCLBQ-IBGZPJMESA-N	1	1	355.482	2.335	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CC1	ZINC000297563143	553309447	/nfs/dbraw/zinc/30/94/47/553309447.db2.gz	YAYIGLLAKRJKCC-UHFFFAOYSA-N	1	1	360.483	2.234	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1	ZINC000298131835	553388284	/nfs/dbraw/zinc/38/82/84/553388284.db2.gz	XIRTXGIJWZZIBU-LJQANCHMSA-N	1	1	357.498	2.392	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1	ZINC000298721586	553463871	/nfs/dbraw/zinc/46/38/71/553463871.db2.gz	OKPVZBXMARGBPX-UHFFFAOYSA-N	1	1	357.498	2.188	20	30		FEEDMO
COc1cc(C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc(OC)c1	ZINC000299129814	553519267	/nfs/dbraw/zinc/51/92/67/553519267.db2.gz	KYGZFPYSTZPUCO-KRWDZBQOSA-N	1	1	356.422	2.447	20	30		FEEDMO
CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000299142857	553520775	/nfs/dbraw/zinc/52/07/75/553520775.db2.gz	AEBGAVJRWFTXQE-LPHOPBHVSA-N	1	1	370.497	2.191	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000299183751	553526666	/nfs/dbraw/zinc/52/66/66/553526666.db2.gz	QGZSJACGPRVRMT-UXHICEINSA-N	1	1	369.509	2.186	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1	ZINC000299190893	553527643	/nfs/dbraw/zinc/52/76/43/553527643.db2.gz	HAGNOHSBMYJALE-GPMSIDNRSA-N	1	1	356.470	2.070	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC[N@H+](C)CC2)c1C#N	ZINC000299261836	553538688	/nfs/dbraw/zinc/53/86/88/553538688.db2.gz	CMSLIJHCVQJLRV-UHFFFAOYSA-N	1	1	369.469	2.194	20	30		FEEDMO
N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1	ZINC000504303838	561655979	/nfs/dbraw/zinc/65/59/79/561655979.db2.gz	VSPNLOIRQSZWPO-PMACEKPBSA-N	1	1	367.497	2.012	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000504434815	561658270	/nfs/dbraw/zinc/65/82/70/561658270.db2.gz	OVBXAIUTHAAYQA-GOSISDBHSA-N	1	1	371.485	2.085	20	30		FEEDMO
C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C[NH+]1CCOCC1	ZINC000301401372	553649323	/nfs/dbraw/zinc/64/93/23/553649323.db2.gz	QGAIRCDWYUALAY-CYBMUJFWSA-N	1	1	355.398	2.395	20	30		FEEDMO
Cc1cc(NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)ncc1C#N	ZINC000603112673	553710738	/nfs/dbraw/zinc/71/07/38/553710738.db2.gz	PNBGETRUHAZNJO-HZPDHXFCSA-N	1	1	355.442	2.027	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)ncc1C#N	ZINC000603115121	553711500	/nfs/dbraw/zinc/71/15/00/553711500.db2.gz	AYBWZTKHVXEQGT-YQQAZPJKSA-N	1	1	357.458	2.367	20	30		FEEDMO
N#CC1(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCOCC1	ZINC000312071127	553756051	/nfs/dbraw/zinc/75/60/51/553756051.db2.gz	NPEKDNGWUJPOOY-RBUKOAKNSA-N	1	1	353.466	2.287	20	30		FEEDMO
C[N@H+]1CCN(CCNc2cc(C#N)c(Br)cn2)CC1(C)C	ZINC000603369007	553773481	/nfs/dbraw/zinc/77/34/81/553773481.db2.gz	FTYAYAKOINVSNC-UHFFFAOYSA-N	1	1	352.280	2.154	20	30		FEEDMO
CC(C)Oc1ncccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000327031872	553785392	/nfs/dbraw/zinc/78/53/92/553785392.db2.gz	MJVYYYVGDVJHHO-UHFFFAOYSA-N	1	1	359.451	2.304	20	30		FEEDMO
COc1ccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c(OC)c1	ZINC000327066286	553785951	/nfs/dbraw/zinc/78/59/51/553785951.db2.gz	YWGARFXTKKVZPN-UHFFFAOYSA-N	1	1	360.435	2.139	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1	ZINC000327624614	553790083	/nfs/dbraw/zinc/79/00/83/553790083.db2.gz	OCLYEGPCMKHZPN-HOCLYGCPSA-N	1	1	358.360	2.077	20	30		FEEDMO
C[C@H](CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[N@H+]1CCC[C@@H](C)C1	ZINC000328682417	553806879	/nfs/dbraw/zinc/80/68/79/553806879.db2.gz	DAERPMVMWWUKTG-ZJPYXAASSA-N	1	1	367.534	2.178	20	30		FEEDMO
CS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1	ZINC000328714648	553811167	/nfs/dbraw/zinc/81/11/67/553811167.db2.gz	ODAFBSVORJLDMC-IAGOWNOFSA-N	1	1	371.547	2.064	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NCc3c[nH+]c(N(C)C)n3C)CC2)o1	ZINC000328752163	553816340	/nfs/dbraw/zinc/81/63/40/553816340.db2.gz	NGNNQZUXOINNQU-UHFFFAOYSA-N	1	1	371.445	2.027	20	30		FEEDMO
Cc1csc([C@@H]2CN(C(=O)NCC[N@@H+]3CCC[C@H](C)C3)CCO2)n1	ZINC000328787360	553822273	/nfs/dbraw/zinc/82/22/73/553822273.db2.gz	JLVCHHSBFDTYKE-ZFWWWQNUSA-N	1	1	352.504	2.471	20	30		FEEDMO
COc1cccc(C(=O)NCC(=O)N2CCC[N@@H+](CC3CCC3)CC2)c1	ZINC000328799074	553823905	/nfs/dbraw/zinc/82/39/05/553823905.db2.gz	XJJJENOGCSLVCS-UHFFFAOYSA-N	1	1	359.470	2.334	20	30		FEEDMO
C[C@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000328946282	553850991	/nfs/dbraw/zinc/85/09/91/553850991.db2.gz	GNAGONPWUQLLSJ-LSDHHAIUSA-N	1	1	372.531	2.190	20	30		FEEDMO
C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)NCC[N@@H+]1CCC[C@H](C)C1	ZINC000328981361	553858132	/nfs/dbraw/zinc/85/81/32/553858132.db2.gz	DOWWAEYGMFWVBR-QKLQHJQFSA-N	1	1	373.497	2.491	20	30		FEEDMO
C[N@H+]1CC[C@@H]2OCCN(CC(=O)NCc3ccc(OC(F)F)cc3)[C@@H]2C1	ZINC000329024140	553866711	/nfs/dbraw/zinc/86/67/11/553866711.db2.gz	NDTBZJQPKRDLLE-CVEARBPZSA-N	1	1	369.412	2.149	20	30		FEEDMO
CO[C@H]1C[C@@H](CN(C)CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)[N@@H+](C)C1	ZINC000329044622	553870618	/nfs/dbraw/zinc/87/06/18/553870618.db2.gz	UMBAVBGIXULXMO-YHUYYLMFSA-N	1	1	354.495	2.087	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCO[C@@H]1c1nccn1C	ZINC000329044792	553870720	/nfs/dbraw/zinc/87/07/20/553870720.db2.gz	JFSADGJVXQINRA-ULQDDVLXSA-N	1	1	363.506	2.264	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000329103597	553881027	/nfs/dbraw/zinc/88/10/27/553881027.db2.gz	GESYADANTVSZTO-QFUCXCTJSA-N	1	1	373.497	2.445	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000329103597	553881029	/nfs/dbraw/zinc/88/10/29/553881029.db2.gz	GESYADANTVSZTO-QFUCXCTJSA-N	1	1	373.497	2.445	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC2(C)CCOCC2)C[C@H](C)O1	ZINC000329111442	553881939	/nfs/dbraw/zinc/88/19/39/553881939.db2.gz	GTMRWUZYPZMMOB-BBWFWOEESA-N	1	1	353.507	2.291	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC2(C)CCOCC2)C[C@H](C)O1	ZINC000329111442	553881940	/nfs/dbraw/zinc/88/19/40/553881940.db2.gz	GTMRWUZYPZMMOB-BBWFWOEESA-N	1	1	353.507	2.291	20	30		FEEDMO
C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[C@@H](c2ccccc2)C1	ZINC000329141391	553887966	/nfs/dbraw/zinc/88/79/66/553887966.db2.gz	KHGNHJABTJKVGW-QWFCFKBJSA-N	1	1	359.470	2.227	20	30		FEEDMO
C[N@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[C@@H](c2ccccc2)C1	ZINC000329141391	553887967	/nfs/dbraw/zinc/88/79/67/553887967.db2.gz	KHGNHJABTJKVGW-QWFCFKBJSA-N	1	1	359.470	2.227	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCOC[C@H]1c1c(C)nn(C)c1C	ZINC000329141128	553888091	/nfs/dbraw/zinc/88/80/91/553888091.db2.gz	KAENQPLPTQWIMK-SJORKVTESA-N	1	1	363.506	2.199	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1OC	ZINC000329151077	553890122	/nfs/dbraw/zinc/89/01/22/553890122.db2.gz	ZWXFWRIMIYHVRW-XMTFNYHQSA-N	1	1	353.507	2.291	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000329212946	553903937	/nfs/dbraw/zinc/90/39/37/553903937.db2.gz	IRDXATKENWDPGH-POAQFYNOSA-N	1	1	361.486	2.349	20	30		FEEDMO
C[C@H]1C[N@@H+](C)CCN1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000329221508	553905445	/nfs/dbraw/zinc/90/54/45/553905445.db2.gz	UXOMIJLUBCCHTH-INIZCTEOSA-N	1	1	358.486	2.015	20	30		FEEDMO
Cc1cc(C)n(-c2ccc(NC(=O)NC[C@@H]3CN(C)CCN3C)cc2F)n1	ZINC000329239284	553908923	/nfs/dbraw/zinc/90/89/23/553908923.db2.gz	QFHUUJKZSCMDRN-MRXNPFEDSA-N	1	1	374.464	2.200	20	30		FEEDMO
C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1	ZINC000329259255	553912725	/nfs/dbraw/zinc/91/27/25/553912725.db2.gz	CONMCCHJNXXEBL-OWSLCNJRSA-N	1	1	365.518	2.481	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(c2nnc3ccccn32)CC1	ZINC000329286035	553917687	/nfs/dbraw/zinc/91/76/87/553917687.db2.gz	GQMSTQBCASSJQT-OAHLLOKOSA-N	1	1	354.458	2.059	20	30		FEEDMO
CC(C)N(CC(=O)N1CCCCCC1)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000329296672	553919645	/nfs/dbraw/zinc/91/96/45/553919645.db2.gz	SZQAZYHOAGPSBI-SJORKVTESA-N	1	1	352.523	2.496	20	30		FEEDMO
CCc1nc2n(n1)C[C@H](NC(=O)N1CCC([NH+]3CCCCC3)CC1)CC2	ZINC000329310241	553922594	/nfs/dbraw/zinc/92/25/94/553922594.db2.gz	QTERMZWMLMLBKY-OAHLLOKOSA-N	1	1	360.506	2.020	20	30		FEEDMO
CN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[C@@H]1CCSC1	ZINC000329317514	553923845	/nfs/dbraw/zinc/92/38/45/553923845.db2.gz	HWLYGYKJESGMDO-SQWLQELKSA-N	1	1	351.520	2.154	20	30		FEEDMO
Cc1nc([C@@H]2CN(C(=O)NCC(C)(C)[N@H+]3CCC[C@@H](C)C3)CCO2)no1	ZINC000329318005	553924111	/nfs/dbraw/zinc/92/41/11/553924111.db2.gz	HZIOGMJLWCQDRP-HIFRSBDPSA-N	1	1	365.478	2.176	20	30		FEEDMO
Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NC[C@@H]1CN(C)CCN1C	ZINC000329383605	553935320	/nfs/dbraw/zinc/93/53/20/553935320.db2.gz	RFCXQZZWBZCKMB-GOSISDBHSA-N	1	1	373.476	2.373	20	30		FEEDMO
Cc1nccc(N2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3CC(C)C)CC2)n1	ZINC000329442259	553948104	/nfs/dbraw/zinc/94/81/04/553948104.db2.gz	BQHXIDLTXDOBFV-SFHVURJKSA-N	1	1	374.533	2.332	20	30		FEEDMO
COc1ccc(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1N1CCCC1=O	ZINC000329471331	553952609	/nfs/dbraw/zinc/95/26/09/553952609.db2.gz	ZLTQJORQQIUDFB-PBHICJAKSA-N	1	1	372.469	2.394	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)[C@@]12CCCO2	ZINC000329527782	553962313	/nfs/dbraw/zinc/96/23/13/553962313.db2.gz	SGNAHJJHWJZMQZ-CWLGOENISA-N	1	1	351.491	2.186	20	30		FEEDMO
CC[C@H](C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1	ZINC000329540328	553964231	/nfs/dbraw/zinc/96/42/31/553964231.db2.gz	WMKKHKMOSRNOQP-IAGOWNOFSA-N	1	1	367.515	2.278	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H]1CCCN(c3ccc(C)nn3)C1)C2	ZINC000329570768	553969540	/nfs/dbraw/zinc/96/95/40/553969540.db2.gz	MMFVUFBSVJVJCQ-CVEARBPZSA-N	1	1	354.458	2.478	20	30		FEEDMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC[C@H](n2cccn2)C1	ZINC000329643029	553981600	/nfs/dbraw/zinc/98/16/00/553981600.db2.gz	YNMXZLYDQGZSGE-KRWDZBQOSA-N	1	1	361.490	2.079	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC[N@H+]1C	ZINC000329721294	553995337	/nfs/dbraw/zinc/99/53/37/553995337.db2.gz	NBFJWYFOFNIFKA-UKRRQHHQSA-N	1	1	368.437	2.063	20	30		FEEDMO
COCCn1cc2c(n1)[C@H](NC(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)CCC2	ZINC000329725542	553995991	/nfs/dbraw/zinc/99/59/91/553995991.db2.gz	BYJIKYMZKZZPCH-ZACQAIPSSA-N	1	1	361.490	2.037	20	30		FEEDMO
CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C	ZINC000329731677	553996637	/nfs/dbraw/zinc/99/66/37/553996637.db2.gz	PURFYOLSFYUHPB-TVFCKZIOSA-N	1	1	353.507	2.147	20	30		FEEDMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2(C)CCCCC2)CC1	ZINC000329746892	553998965	/nfs/dbraw/zinc/99/89/65/553998965.db2.gz	SBGAWQIXRJDGLI-INIZCTEOSA-N	1	1	350.507	2.109	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)C[C@H]1[NH+]1CCOCC1	ZINC000329753632	554000225	/nfs/dbraw/zinc/00/02/25/554000225.db2.gz	WVQZXLBEBYHKLJ-LFEHRJTNSA-N	1	1	359.470	2.465	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000329786188	554005362	/nfs/dbraw/zinc/00/53/62/554005362.db2.gz	XPZUIPVZELQCBI-YCPHGPKFSA-N	1	1	359.518	2.482	20	30		FEEDMO
Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)nn1	ZINC000329804770	554009011	/nfs/dbraw/zinc/00/90/11/554009011.db2.gz	MJBLXYHIVHSDBA-HZPDHXFCSA-N	1	1	360.506	2.082	20	30		FEEDMO
CCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)s1	ZINC000329824418	554012884	/nfs/dbraw/zinc/01/28/84/554012884.db2.gz	ZYKNRLLLITXMOV-UONOGXRCSA-N	1	1	353.536	2.167	20	30		FEEDMO
O=C(NCCOC1CCCCC1)N1CCCC[C@@H]1C[NH+]1CCOCC1	ZINC000329829994	554014227	/nfs/dbraw/zinc/01/42/27/554014227.db2.gz	SHOBVCBEZOZDKC-QGZVFWFLSA-N	1	1	353.507	2.436	20	30		FEEDMO
O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N[C@@H]1CCc2c[nH]nc2C1	ZINC000329840077	554016375	/nfs/dbraw/zinc/01/63/75/554016375.db2.gz	OANIXIRJEYBQJB-MSOLQXFVSA-N	1	1	353.470	2.435	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1	ZINC000329852356	554018878	/nfs/dbraw/zinc/01/88/78/554018878.db2.gz	RJWJEAOVGGYLFD-NWDGAFQWSA-N	1	1	373.436	2.249	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)CC[N@@H+]1C	ZINC000329852355	554019029	/nfs/dbraw/zinc/01/90/29/554019029.db2.gz	RJWJEAOVGGYLFD-NEPJUHHUSA-N	1	1	373.436	2.249	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1	ZINC000329870708	554022552	/nfs/dbraw/zinc/02/25/52/554022552.db2.gz	BWCOFCOOBWEYHD-CALCHBBNSA-N	1	1	364.534	2.293	20	30		FEEDMO
CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1	ZINC000329953032	554037852	/nfs/dbraw/zinc/03/78/52/554037852.db2.gz	NALZLJTYWPUPIP-KBPBESRZSA-N	1	1	357.462	2.199	20	30		FEEDMO
CC(C)c1nc2n(n1)CCC[C@@H]2NC([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1	ZINC000329953032	554037855	/nfs/dbraw/zinc/03/78/55/554037855.db2.gz	NALZLJTYWPUPIP-KBPBESRZSA-N	1	1	357.462	2.199	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1	ZINC000329957477	554039021	/nfs/dbraw/zinc/03/90/21/554039021.db2.gz	PLZXPZURNJZMPA-OAHLLOKOSA-N	1	1	357.462	2.322	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@H](C)O[C@]2(CCOC2)C1	ZINC000329965077	554040365	/nfs/dbraw/zinc/04/03/65/554040365.db2.gz	QXOSPESUDMBNRI-CNMWIUBYSA-N	1	1	353.507	2.147	20	30		FEEDMO
NC(=O)NC[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000329983855	554043983	/nfs/dbraw/zinc/04/39/83/554043983.db2.gz	PYJRAVUIJGXSNL-ZWKOTPCHSA-N	1	1	373.501	2.217	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1C	ZINC000330008911	554048401	/nfs/dbraw/zinc/04/84/01/554048401.db2.gz	GZCWHMNGDWGNAC-WMLDXEAASA-N	1	1	373.501	2.402	20	30		FEEDMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)NCc2ccc(C3CC3)cc2)CC1	ZINC000330119173	554067811	/nfs/dbraw/zinc/06/78/11/554067811.db2.gz	ZLSFWAASKJSFQU-UHFFFAOYSA-N	1	1	358.486	2.120	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1CC(=O)Nc1ccc2c(c1)OCO2	ZINC000330170682	554077795	/nfs/dbraw/zinc/07/77/95/554077795.db2.gz	BVCUPUFRKZVVTL-AWEZNQCLSA-N	1	1	361.442	2.188	20	30		FEEDMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CCCC(F)(F)C1	ZINC000330232299	554089928	/nfs/dbraw/zinc/08/99/28/554089928.db2.gz	ROJDNOUALCPKNK-CABCVRRESA-N	1	1	373.444	2.234	20	30		FEEDMO
O=C(CCNC(=O)[C@H]1CCC[N@H+]1C1CC1)N1CCN(c2ccccc2)CC1	ZINC000330271705	554097069	/nfs/dbraw/zinc/09/70/69/554097069.db2.gz	WIGGFXCHAHIYOM-LJQANCHMSA-N	1	1	370.497	2.309	20	30		FEEDMO
COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1	ZINC000330283049	554098965	/nfs/dbraw/zinc/09/89/65/554098965.db2.gz	BBXXDGILAPQRKS-MXASKKJJSA-N	1	1	350.463	2.046	20	30		FEEDMO
Cc1c([C@H]2OCC[C@@H]2NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cnn1C	ZINC000330327737	554105902	/nfs/dbraw/zinc/10/59/02/554105902.db2.gz	LDNRHABMANBZBT-IHETXDGRSA-N	1	1	363.506	2.183	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C	ZINC000330333243	554106766	/nfs/dbraw/zinc/10/67/66/554106766.db2.gz	PQHKAYZHJUBAQL-RYRKJORJSA-N	1	1	363.506	2.245	20	30		FEEDMO
CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000507845910	561743083	/nfs/dbraw/zinc/74/30/83/561743083.db2.gz	AGZPFYJJEKGEMY-HNNXBMFYSA-N	1	1	372.469	2.272	20	30		FEEDMO
CCN1C(=O)CC[C@H](C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@H]1c1cnn(C)c1	ZINC000330353825	554110467	/nfs/dbraw/zinc/11/04/67/554110467.db2.gz	OWVAQTWAWLJSAC-UCLAIMLFSA-N	1	1	373.501	2.161	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N(C)CC(F)(F)F	ZINC000330406371	554117218	/nfs/dbraw/zinc/11/72/18/554117218.db2.gz	WOSAQDWUCIBCFM-ZDUSSCGKSA-N	1	1	359.396	2.000	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)C1	ZINC000330437550	554121628	/nfs/dbraw/zinc/12/16/28/554121628.db2.gz	ZFPFTMIQCLUZFV-IXDOHACOSA-N	1	1	352.523	2.305	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000330476666	554126312	/nfs/dbraw/zinc/12/63/12/554126312.db2.gz	LCLFUMVYRRFZKM-NSHDSACASA-N	1	1	372.288	2.083	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1F	ZINC000330496032	554129260	/nfs/dbraw/zinc/12/92/60/554129260.db2.gz	UHDBJVYFMFFSCY-UHFFFAOYSA-N	1	1	357.401	2.298	20	30		FEEDMO
CC(=O)Nc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c(Cl)c1	ZINC000330553946	554137264	/nfs/dbraw/zinc/13/72/64/554137264.db2.gz	USKIQFXMJHQPED-VXGBXAGGSA-N	1	1	368.865	2.231	20	30		FEEDMO
CC(C)C(=O)NC1CCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1	ZINC000330632265	554148540	/nfs/dbraw/zinc/14/85/40/554148540.db2.gz	HSZWQRZCGVGWDW-MRXNPFEDSA-N	1	1	352.523	2.257	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)oc1C	ZINC000330672451	554155356	/nfs/dbraw/zinc/15/53/56/554155356.db2.gz	OBBLGOZODSJVAS-ZDUSSCGKSA-N	1	1	357.476	2.017	20	30		FEEDMO
CC(C)CNC(=O)NC(=O)CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000330771451	554169417	/nfs/dbraw/zinc/16/94/17/554169417.db2.gz	CDTXONORBBLSCU-IRXDYDNUSA-N	1	1	352.523	2.259	20	30		FEEDMO
CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1	ZINC000330833243	554176634	/nfs/dbraw/zinc/17/66/34/554176634.db2.gz	HMHDPNZLFUFOOX-APHBMKBZSA-N	1	1	351.422	2.416	20	30		FEEDMO
C[C@H](C[S@](C)=O)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000330847732	554178844	/nfs/dbraw/zinc/17/88/44/554178844.db2.gz	ORIIMCKPBHNZSO-FINWYRBZSA-N	1	1	351.516	2.168	20	30		FEEDMO
CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1	ZINC000330887888	554183552	/nfs/dbraw/zinc/18/35/52/554183552.db2.gz	ABHXGBVEEZOHQQ-GVDBMIGSSA-N	1	1	352.523	2.257	20	30		FEEDMO
Cc1c(CS(C)(=O)=O)cccc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C	ZINC000330897405	554184390	/nfs/dbraw/zinc/18/43/90/554184390.db2.gz	UEUHHXSNRLWUID-ZIAGYGMSSA-N	1	1	353.488	2.110	20	30		FEEDMO
Cc1ccc(Cl)cc1CNC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000330950481	554192870	/nfs/dbraw/zinc/19/28/70/554192870.db2.gz	OUYXMNOFLSMEDC-UHFFFAOYSA-N	1	1	366.893	2.205	20	30		FEEDMO
CC(C)[C@H](C)NC(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1	ZINC000330954967	554193412	/nfs/dbraw/zinc/19/34/12/554193412.db2.gz	AWVYKBKBXXKJFJ-IHRRRGAJSA-N	1	1	352.458	2.008	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[C@H]1C	ZINC000331096592	554211733	/nfs/dbraw/zinc/21/17/33/554211733.db2.gz	AMGUWQPHOAINFQ-HIFRSBDPSA-N	1	1	353.488	2.440	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000508741863	561771243	/nfs/dbraw/zinc/77/12/43/561771243.db2.gz	NPAZCFPJZSRALB-XHSDSOJGSA-N	1	1	359.470	2.428	20	30		FEEDMO
CC(C)C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CCO1	ZINC000331226109	554233579	/nfs/dbraw/zinc/23/35/79/554233579.db2.gz	NDNCJRRZFZLZJR-GVDBMIGSSA-N	1	1	355.523	2.271	20	30		FEEDMO
CC(C)C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CCO1	ZINC000331226108	554233623	/nfs/dbraw/zinc/23/36/23/554233623.db2.gz	NDNCJRRZFZLZJR-BRWVUGGUSA-N	1	1	355.523	2.271	20	30		FEEDMO
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000331235518	554234738	/nfs/dbraw/zinc/23/47/38/554234738.db2.gz	LTJYNJYXYSHSLX-ULQDDVLXSA-N	1	1	355.523	2.271	20	30		FEEDMO
C=CCn1c(CC2CCCC2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000508825468	561774075	/nfs/dbraw/zinc/77/40/75/561774075.db2.gz	FJOPIBQJYZXUJO-GOSISDBHSA-N	1	1	359.518	2.355	20	30		FEEDMO
C=CCn1c(CCc2ccco2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000508883651	561776732	/nfs/dbraw/zinc/77/67/32/561776732.db2.gz	CBCYTDVCVCSGPG-CALCHBBNSA-N	1	1	373.501	2.388	20	30		FEEDMO
C=CCn1c(CCc2ccco2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000508883651	561776733	/nfs/dbraw/zinc/77/67/33/561776733.db2.gz	CBCYTDVCVCSGPG-CALCHBBNSA-N	1	1	373.501	2.388	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000331430487	554263047	/nfs/dbraw/zinc/26/30/47/554263047.db2.gz	CDEOQBYCEJZEMU-MEBBXXQBSA-N	1	1	373.400	2.338	20	30		FEEDMO
C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1	ZINC000508904757	561777841	/nfs/dbraw/zinc/77/78/41/561777841.db2.gz	VVGKTVDIBQOULX-SFHVURJKSA-N	1	1	353.470	2.214	20	30		FEEDMO
C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1	ZINC000508904757	561777842	/nfs/dbraw/zinc/77/78/42/561777842.db2.gz	VVGKTVDIBQOULX-SFHVURJKSA-N	1	1	353.470	2.214	20	30		FEEDMO
N#CCN1CCC(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1	ZINC000331479566	554271502	/nfs/dbraw/zinc/27/15/02/554271502.db2.gz	TVPPWPKGHZJHBE-LJQANCHMSA-N	1	1	372.488	2.389	20	30		FEEDMO
CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000509287086	561793867	/nfs/dbraw/zinc/79/38/67/561793867.db2.gz	NAVWBJCPXREBPP-WMZOPIPTSA-N	1	1	366.531	2.211	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1C(F)(F)F	ZINC000332302078	554420761	/nfs/dbraw/zinc/42/07/61/554420761.db2.gz	KWPYXYWMAGZOJY-LSDHHAIUSA-N	1	1	373.400	2.482	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC[N@@H+]1C	ZINC000332667925	554493896	/nfs/dbraw/zinc/49/38/96/554493896.db2.gz	MIWCSTLUJUSJLN-OLZOCXBDSA-N	1	1	372.860	2.954	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000333199521	554587840	/nfs/dbraw/zinc/58/78/40/554587840.db2.gz	XGDJOSOAVZDEGH-VQIMIIECSA-N	1	1	366.465	2.362	20	30		FEEDMO
C[C@@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1=CC[N@@H+](C)CC1	ZINC000510803723	561847045	/nfs/dbraw/zinc/84/70/45/561847045.db2.gz	LVSCBPYMVBYRAC-QGZVFWFLSA-N	1	1	368.481	2.480	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@@H](C)C3CCCCC3)CC2)o1	ZINC000333319346	554602217	/nfs/dbraw/zinc/60/22/17/554602217.db2.gz	PDEQUEDTDCARNS-HNNXBMFYSA-N	1	1	373.501	2.404	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1	ZINC000361904450	554937759	/nfs/dbraw/zinc/93/77/59/554937759.db2.gz	ACDFCIWXIAMFEG-SJORKVTESA-N	1	1	357.454	2.278	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000363034001	555015087	/nfs/dbraw/zinc/01/50/87/555015087.db2.gz	GGFODHBANCOCQR-CABCVRRESA-N	1	1	372.494	2.374	20	30		FEEDMO
C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000363077272	555025061	/nfs/dbraw/zinc/02/50/61/555025061.db2.gz	LIJIBFIDJZJUCY-KSZLIROESA-N	1	1	369.513	2.358	20	30		FEEDMO
C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000363077272	555025062	/nfs/dbraw/zinc/02/50/62/555025062.db2.gz	LIJIBFIDJZJUCY-KSZLIROESA-N	1	1	369.513	2.358	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1	ZINC000363104309	555031389	/nfs/dbraw/zinc/03/13/89/555031389.db2.gz	NSMGKOIPIMRDKI-FPOVZHCZSA-N	1	1	368.481	2.489	20	30		FEEDMO
CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1	ZINC000363473445	555114654	/nfs/dbraw/zinc/11/46/54/555114654.db2.gz	BKTOSQJHMDNWMN-IRXDYDNUSA-N	1	1	360.502	2.194	20	30		FEEDMO
CS[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1N(C)C	ZINC000363689816	555164794	/nfs/dbraw/zinc/16/47/94/555164794.db2.gz	OQKIQYMRYJDMEP-MSOLQXFVSA-N	1	1	355.511	2.436	20	30		FEEDMO
CS[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1N(C)C	ZINC000363689816	555164797	/nfs/dbraw/zinc/16/47/97/555164797.db2.gz	OQKIQYMRYJDMEP-MSOLQXFVSA-N	1	1	355.511	2.436	20	30		FEEDMO
C=CCN=c1[nH]cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)s1	ZINC000363706123	555168423	/nfs/dbraw/zinc/16/84/23/555168423.db2.gz	AAMRHWJSJKYIRG-MRXNPFEDSA-N	1	1	371.510	2.778	20	30		FEEDMO
C=CCN(C(=O)NCc1ccnn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363826056	555194300	/nfs/dbraw/zinc/19/43/00/555194300.db2.gz	QCXNTKYEGUCDOW-LJQANCHMSA-N	1	1	353.470	2.392	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1	ZINC000364226991	555274117	/nfs/dbraw/zinc/27/41/17/555274117.db2.gz	AQHKXJMYBBLLKC-IEBWSBKVSA-N	1	1	351.491	2.091	20	30		FEEDMO
C=CCN(C(=O)N[C@H]1CCC(=O)N(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364277350	555283062	/nfs/dbraw/zinc/28/30/62/555283062.db2.gz	AQXPTIYVBGYRPH-RBUKOAKNSA-N	1	1	370.497	2.079	20	30		FEEDMO
C=CCN(C(=O)N[C@H](C)Cn1cncn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364294198	555286249	/nfs/dbraw/zinc/28/62/49/555286249.db2.gz	TXTBQYWDCROSPY-IEBWSBKVSA-N	1	1	368.485	2.139	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)CC1	ZINC000512450304	561905603	/nfs/dbraw/zinc/90/56/03/561905603.db2.gz	QRHVDDUEIOMCFL-NHCUHLMSSA-N	1	1	368.525	2.386	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC([C@H]4CCCOC4)CC3)C2=O)cc1	ZINC000364710928	555381691	/nfs/dbraw/zinc/38/16/91/555381691.db2.gz	OTIPIMMUNNSTJA-PKOBYXMFSA-N	1	1	367.449	2.329	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000512745855	561913998	/nfs/dbraw/zinc/91/39/98/561913998.db2.gz	XBDAJIPYKHBOPL-WBVHZDCISA-N	1	1	361.511	2.448	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@@H]2[C@@H]1c1ccccc1	ZINC000365689700	555641537	/nfs/dbraw/zinc/64/15/37/555641537.db2.gz	AUWJWNVKSBTJBV-HOJAQTOUSA-N	1	1	374.444	2.258	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F	ZINC000365959309	555711740	/nfs/dbraw/zinc/71/17/40/555711740.db2.gz	IQTDRAAYHNYREN-SUYBPPKGSA-N	1	1	363.408	2.456	20	30		FEEDMO
N#Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1F	ZINC000513691000	561946827	/nfs/dbraw/zinc/94/68/27/561946827.db2.gz	PPAIBUOHGNDCGM-FQEVSTJZSA-N	1	1	353.397	2.064	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](CCc3nc4ccccc4c(=O)[nH]3)C2)nc1	ZINC000366425802	555840044	/nfs/dbraw/zinc/84/00/44/555840044.db2.gz	XOQAKAVGDXWIMF-HNNXBMFYSA-N	1	1	361.405	2.298	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000366536163	555870918	/nfs/dbraw/zinc/87/09/18/555870918.db2.gz	QSXTZHGNEJVCEG-HZPDHXFCSA-N	1	1	364.490	2.080	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)C1CC1	ZINC000367565396	556084070	/nfs/dbraw/zinc/08/40/70/556084070.db2.gz	QTJKZVHWKIOUBO-UHFFFAOYSA-N	1	1	355.482	2.366	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)C1CC1	ZINC000367565396	556084071	/nfs/dbraw/zinc/08/40/71/556084071.db2.gz	QTJKZVHWKIOUBO-UHFFFAOYSA-N	1	1	355.482	2.366	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C#N)CCc3ccccc3C2)C1	ZINC000367569719	556085686	/nfs/dbraw/zinc/08/56/86/556085686.db2.gz	KHOVIGZFQAGSLS-CTNGQTDRSA-N	1	1	355.482	2.158	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1Cl	ZINC000367571983	556086498	/nfs/dbraw/zinc/08/64/98/556086498.db2.gz	BZZMXAAODVXTDB-IRXDYDNUSA-N	1	1	363.845	2.420	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)cc1Cl	ZINC000367571983	556086500	/nfs/dbraw/zinc/08/65/00/556086500.db2.gz	BZZMXAAODVXTDB-IRXDYDNUSA-N	1	1	363.845	2.420	20	30		FEEDMO
Cn1cc([C@H]2[C@@H](CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)CCC[N@H+]2C)cn1	ZINC000367732386	556125753	/nfs/dbraw/zinc/12/57/53/556125753.db2.gz	ZIBJGIBSKYDJEE-SJKOYZFVSA-N	1	1	369.429	2.277	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@]12C(=O)Nc1ccccc12	ZINC000367785121	556138717	/nfs/dbraw/zinc/13/87/17/556138717.db2.gz	VZZGXFJVZXLZGS-WNYOCNMUSA-N	1	1	351.381	2.205	20	30		FEEDMO
N#C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@]12C(=O)Nc1ccccc12	ZINC000367785121	556138719	/nfs/dbraw/zinc/13/87/19/556138719.db2.gz	VZZGXFJVZXLZGS-WNYOCNMUSA-N	1	1	351.381	2.205	20	30		FEEDMO
C#CCCCS(=O)(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000367805959	556144090	/nfs/dbraw/zinc/14/40/90/556144090.db2.gz	FHHHCSACRAHJBF-RBUKOAKNSA-N	1	1	362.495	2.306	20	30		FEEDMO
C#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000367805959	556144093	/nfs/dbraw/zinc/14/40/93/556144093.db2.gz	FHHHCSACRAHJBF-RBUKOAKNSA-N	1	1	362.495	2.306	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C	ZINC000368417936	556303093	/nfs/dbraw/zinc/30/30/93/556303093.db2.gz	VFYAHFORLTUCHT-QXAKKESOSA-N	1	1	373.497	2.425	20	30		FEEDMO
C[C@@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000368732413	556400314	/nfs/dbraw/zinc/40/03/14/556400314.db2.gz	JUGWEEDRPNDPDV-XHSDSOJGSA-N	1	1	355.486	2.617	20	30		FEEDMO
Cc1c(C#N)c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc2ccccc12	ZINC000515594470	562016298	/nfs/dbraw/zinc/01/62/98/562016298.db2.gz	FOHZUNACYGRWQU-IBGZPJMESA-N	1	1	363.465	2.158	20	30		FEEDMO
C[C@@H](CO)[N@H+]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1	ZINC000368972701	556463854	/nfs/dbraw/zinc/46/38/54/556463854.db2.gz	GHHVKVVSBOKYOB-KRWDZBQOSA-N	1	1	368.481	2.126	20	30		FEEDMO
C[N@@H+](Cc1ccc(F)cc1C#N)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000369064191	556494322	/nfs/dbraw/zinc/49/43/22/556494322.db2.gz	MDCBUBDOPFMCMF-UHFFFAOYSA-N	1	1	358.461	2.216	20	30		FEEDMO
CN(Cc1ccc(F)cc1C#N)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000369064191	556494324	/nfs/dbraw/zinc/49/43/24/556494324.db2.gz	MDCBUBDOPFMCMF-UHFFFAOYSA-N	1	1	358.461	2.216	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1=O	ZINC000369204935	556535101	/nfs/dbraw/zinc/53/51/01/556535101.db2.gz	QGHBEHWNIHCTPU-MRXNPFEDSA-N	1	1	363.502	2.496	20	30		FEEDMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](C2CCOCC2)CC1	ZINC000369543847	556627292	/nfs/dbraw/zinc/62/72/92/556627292.db2.gz	NESBKXLETPQZOP-MRXNPFEDSA-N	1	1	357.454	2.039	20	30		FEEDMO
Cc1cccc(NC2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)[nH+]1	ZINC000369583695	556639104	/nfs/dbraw/zinc/63/91/04/556639104.db2.gz	JWUWZHQZHLXUBX-UHFFFAOYSA-N	1	1	363.465	2.454	20	30		FEEDMO
C[C@H](NC(=O)COc1ccc(C#N)cc1)C1([NH+]2CCOCC2)CCCC1	ZINC000369689756	556669879	/nfs/dbraw/zinc/66/98/79/556669879.db2.gz	LVXOPOCXWSBOQE-INIZCTEOSA-N	1	1	357.454	2.087	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1	ZINC000369953070	556740011	/nfs/dbraw/zinc/74/00/11/556740011.db2.gz	WCZJXGSZZDFPST-NRFANRHFSA-N	1	1	362.477	2.381	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c(C#N)c1C	ZINC000370216436	556813105	/nfs/dbraw/zinc/81/31/05/556813105.db2.gz	SDFSIEVOYMYKGA-CQSZACIVSA-N	1	1	357.483	2.473	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c(C#N)c1C	ZINC000370216436	556813108	/nfs/dbraw/zinc/81/31/08/556813108.db2.gz	SDFSIEVOYMYKGA-CQSZACIVSA-N	1	1	357.483	2.473	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1	ZINC000516908714	562063984	/nfs/dbraw/zinc/06/39/84/562063984.db2.gz	QJYWIDUSTNEWDZ-MOPGFXCFSA-N	1	1	353.466	2.456	20	30		FEEDMO
Cc1nnc([C@@H]2CC23CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC3)o1	ZINC000370827842	556981296	/nfs/dbraw/zinc/98/12/96/556981296.db2.gz	XYCXHIQJXJVWKB-HNNXBMFYSA-N	1	1	357.458	2.290	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)nc3)[C@@H](C)C2)s1	ZINC000370962502	557028473	/nfs/dbraw/zinc/02/84/73/557028473.db2.gz	OOJYOIPZWKLUOC-YVEFUNNKSA-N	1	1	355.467	2.359	20	30		FEEDMO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCC(=O)Nc1ccc(C#N)cc1	ZINC000371288874	557133055	/nfs/dbraw/zinc/13/30/55/557133055.db2.gz	GAZCETFJHJGKTE-CEXWTWQISA-N	1	1	356.470	2.070	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CCCC[N@@H+]4C[C@H]3C2)c(Cl)c1	ZINC000371632616	557246206	/nfs/dbraw/zinc/24/62/06/557246206.db2.gz	IYCMUEUVHRZJCT-OFQRWUPVSA-N	1	1	365.886	2.316	20	30		FEEDMO
C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1	ZINC000371762717	557285928	/nfs/dbraw/zinc/28/59/28/557285928.db2.gz	NWNHIPYIVSNJMV-YLJYHZDGSA-N	1	1	366.465	2.245	20	30		FEEDMO
C#CCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1	ZINC000371762716	557286132	/nfs/dbraw/zinc/28/61/32/557286132.db2.gz	NWNHIPYIVSNJMV-XLIONFOSSA-N	1	1	366.465	2.245	20	30		FEEDMO
COc1ccccc1-c1noc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)n1	ZINC000371834125	557306443	/nfs/dbraw/zinc/30/64/43/557306443.db2.gz	HKATWWKXDAKMQP-ZDUSSCGKSA-N	1	1	357.414	2.158	20	30		FEEDMO
C=C[C@@H](CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1	ZINC000372293403	557432067	/nfs/dbraw/zinc/43/20/67/557432067.db2.gz	ICFUAJAIEKRMHX-SFHVURJKSA-N	1	1	369.509	2.359	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1	ZINC000372482175	557482317	/nfs/dbraw/zinc/48/23/17/557482317.db2.gz	NMHJUXDCTNOKNL-QGZVFWFLSA-N	1	1	366.469	2.858	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)nn1	ZINC000519636093	562138047	/nfs/dbraw/zinc/13/80/47/562138047.db2.gz	BRRFJWDUTHYTEP-AWEZNQCLSA-N	1	1	356.348	2.012	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000372804095	557565284	/nfs/dbraw/zinc/56/52/84/557565284.db2.gz	KWOKAARLDWKJCX-CGTJXYLNSA-N	1	1	357.454	2.085	20	30		FEEDMO
Cc1ncccc1O[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000372831434	557571640	/nfs/dbraw/zinc/57/16/40/557571640.db2.gz	OITQYIVWKNPKIT-SFHVURJKSA-N	1	1	350.422	2.031	20	30		FEEDMO
Cc1ncccc1O[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000372831434	557571642	/nfs/dbraw/zinc/57/16/42/557571642.db2.gz	OITQYIVWKNPKIT-SFHVURJKSA-N	1	1	350.422	2.031	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](n2ccnn2)C1	ZINC000519768448	562143337	/nfs/dbraw/zinc/14/33/37/562143337.db2.gz	XHIXICCCEMQJPF-WFASDCNBSA-N	1	1	358.833	2.467	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](n2ccnn2)C1	ZINC000519768448	562143338	/nfs/dbraw/zinc/14/33/38/562143338.db2.gz	XHIXICCCEMQJPF-WFASDCNBSA-N	1	1	358.833	2.467	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@H+](C2CCC2)C1	ZINC000519797477	562144254	/nfs/dbraw/zinc/14/42/54/562144254.db2.gz	AEGSNTZYGUGLJM-CYBMUJFWSA-N	1	1	351.447	2.192	20	30		FEEDMO
COC(=O)c1coc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000373053954	557618084	/nfs/dbraw/zinc/61/80/84/557618084.db2.gz	UUPOATZSUMSIJT-CXAGYDPISA-N	1	1	367.405	2.390	20	30		FEEDMO
COC(=O)c1coc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000373053962	557618151	/nfs/dbraw/zinc/61/81/51/557618151.db2.gz	UUPOATZSUMSIJT-SUMWQHHRSA-N	1	1	367.405	2.390	20	30		FEEDMO
CN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4O[C@H](CC#N)C[C@H]43)cn2)CC1	ZINC000373223028	557653171	/nfs/dbraw/zinc/65/31/71/557653171.db2.gz	GBQIIJBCNZGLQZ-WCIQWLHISA-N	1	1	369.513	2.163	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000520189672	562150125	/nfs/dbraw/zinc/15/01/25/562150125.db2.gz	NXRLVWRLBDWRJI-IBGZPJMESA-N	1	1	368.462	2.077	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000373322335	557672165	/nfs/dbraw/zinc/67/21/65/557672165.db2.gz	VBIKOVXZAVZMOD-UKBAYJJMSA-N	1	1	350.503	2.315	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccccc2CC#N)CC1=O	ZINC000520426322	562156235	/nfs/dbraw/zinc/15/62/35/562156235.db2.gz	FBUFFUUZSMWLNE-IRXDYDNUSA-N	1	1	354.454	2.024	20	30		FEEDMO
C=CCN(C[C@H](O)CO[C@H](C)COC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000373910588	557785024	/nfs/dbraw/zinc/78/50/24/557785024.db2.gz	ZYUMZEGANJVHJY-NRSPTQNISA-N	1	1	362.514	2.161	20	30		FEEDMO
C=CC[N@@H+](C[C@H](O)CO[C@H](C)COC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000373910588	557785025	/nfs/dbraw/zinc/78/50/25/557785025.db2.gz	ZYUMZEGANJVHJY-NRSPTQNISA-N	1	1	362.514	2.161	20	30		FEEDMO
C=CC[N@H+](C[C@H](O)CO[C@H](C)COC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000373910588	557785027	/nfs/dbraw/zinc/78/50/27/557785027.db2.gz	ZYUMZEGANJVHJY-NRSPTQNISA-N	1	1	362.514	2.161	20	30		FEEDMO
C=CCN(C(=O)[C@@H](OC)c1cnn(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000373987029	557801514	/nfs/dbraw/zinc/80/15/14/557801514.db2.gz	WKAQBLPXRMZBJZ-UXHICEINSA-N	1	1	368.481	2.397	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)CCCCC1	ZINC000374557853	557899672	/nfs/dbraw/zinc/89/96/72/557899672.db2.gz	RYXUIQUIRMTSIW-FQEVSTJZSA-N	1	1	355.482	2.355	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)CCCCC1	ZINC000374557853	557899674	/nfs/dbraw/zinc/89/96/74/557899674.db2.gz	RYXUIQUIRMTSIW-FQEVSTJZSA-N	1	1	355.482	2.355	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CCCC2(C#N)CCOCC2)O1	ZINC000374558630	557899794	/nfs/dbraw/zinc/89/97/94/557899794.db2.gz	ALJCHRJERMCZSR-HZMVEIRTSA-N	1	1	350.459	2.270	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C	ZINC000374592011	557903821	/nfs/dbraw/zinc/90/38/21/557903821.db2.gz	IOBDKCWCPJNADM-IAGOWNOFSA-N	1	1	364.515	2.062	20	30		FEEDMO
Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccc(C#N)cc1	ZINC000374794075	557932341	/nfs/dbraw/zinc/93/23/41/557932341.db2.gz	NOGYVDNOZWDALA-XVLXNVKGSA-N	1	1	366.465	2.442	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C[C@H]3CCCc4ccccc43)C2)CCO1	ZINC000374929327	557952589	/nfs/dbraw/zinc/95/25/89/557952589.db2.gz	KTQULYJAOFLKAD-GUDVDZBRSA-N	1	1	353.466	2.179	20	30		FEEDMO
N#Cc1c(F)ccc(C[NH+]2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c1Cl	ZINC000375258498	558000030	/nfs/dbraw/zinc/00/00/30/558000030.db2.gz	OFLYKFWPRYWDOT-SUMWQHHRSA-N	1	1	365.836	2.453	20	30		FEEDMO
N#Cc1ccc(N2CCC([NH2+][C@H](c3ncc[nH]3)c3ccncc3)CC2)nc1	ZINC000375531932	558043976	/nfs/dbraw/zinc/04/39/76/558043976.db2.gz	HCEWNXJMURMWLD-IBGZPJMESA-N	1	1	359.437	2.419	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000375790755	558079723	/nfs/dbraw/zinc/07/97/23/558079723.db2.gz	LDQNXYIMJGCBHM-RTBURBONSA-N	1	1	368.481	2.040	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](NC(=O)C4CCC4)C3)C2=O)cc1	ZINC000375829917	558086326	/nfs/dbraw/zinc/08/63/26/558086326.db2.gz	LNBUDCHNJSLYRS-HKUYNNGSSA-N	1	1	366.465	2.044	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H](NC(=O)C4CCC4)C3)C2=O)cc1	ZINC000375829917	558086328	/nfs/dbraw/zinc/08/63/28/558086328.db2.gz	LNBUDCHNJSLYRS-HKUYNNGSSA-N	1	1	366.465	2.044	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000375965101	558106073	/nfs/dbraw/zinc/10/60/73/558106073.db2.gz	WMINRMCXUVHLJC-QRWLVFNGSA-N	1	1	359.445	2.450	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000375965101	558106075	/nfs/dbraw/zinc/10/60/75/558106075.db2.gz	WMINRMCXUVHLJC-QRWLVFNGSA-N	1	1	359.445	2.450	20	30		FEEDMO
C[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)o2)C[N@H+]1Cc1ccccc1	ZINC000376318755	558157178	/nfs/dbraw/zinc/15/71/78/558157178.db2.gz	BERRJIZSPOIIHS-HOCLYGCPSA-N	1	1	359.451	2.340	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)c2cc(C3CC3)nc(SC)c2C#N)C1	ZINC000521679428	562181945	/nfs/dbraw/zinc/18/19/45/562181945.db2.gz	VKRAHPOTIDPEPP-ZDUSSCGKSA-N	1	1	360.483	2.003	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[N@H+](C)C3CCCC3)C2)n1	ZINC000376783000	558220938	/nfs/dbraw/zinc/22/09/38/558220938.db2.gz	PGOMHIPWOMDYSM-GOSISDBHSA-N	1	1	369.513	2.469	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NCCCCN1CC[NH+](C)CC1	ZINC000522085727	562191264	/nfs/dbraw/zinc/19/12/64/562191264.db2.gz	XMTYRAXTDOYYPP-UHFFFAOYSA-N	1	1	373.501	2.495	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(NC(=O)C2CCC2)CC1)C1(C#N)CCCCC1	ZINC000377519722	558356010	/nfs/dbraw/zinc/35/60/10/558356010.db2.gz	PHJBAFSVNLPBHG-UHFFFAOYSA-N	1	1	360.502	2.052	20	30		FEEDMO
COc1cc(C[N@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)ccc1C#N	ZINC000377690374	558398070	/nfs/dbraw/zinc/39/80/70/558398070.db2.gz	GGVSPNPTAVEVKW-MSOLQXFVSA-N	1	1	373.453	2.436	20	30		FEEDMO
C#Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1	ZINC000377939120	558449146	/nfs/dbraw/zinc/44/91/46/558449146.db2.gz	JFAINZVBHOHYAC-RXVVDRJESA-N	1	1	350.466	2.143	20	30		FEEDMO
CN1CCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@H]1C#N	ZINC000378112457	558483671	/nfs/dbraw/zinc/48/36/71/558483671.db2.gz	VIDAPSKOHDVSAF-WOJBJXKFSA-N	1	1	369.513	2.138	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@H](Nc3nccc(C#N)c3[N+](=O)[O-])[C@H](C)C2)s1	ZINC000378130974	558487724	/nfs/dbraw/zinc/48/77/24/558487724.db2.gz	DKTPHEVECQTPLZ-ABAIWWIYSA-N	1	1	372.454	2.949	20	30		FEEDMO
C#CC[C@H](NC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO)c1ccccc1	ZINC000378277437	558517695	/nfs/dbraw/zinc/51/76/95/558517695.db2.gz	MMEVLYMBGORCDK-AABGKKOBSA-N	1	1	355.482	2.382	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000389879670	558610074	/nfs/dbraw/zinc/61/00/74/558610074.db2.gz	NMZWXXXQYGBVLV-OXQOHEQNSA-N	1	1	369.490	2.498	20	30		FEEDMO
CCc1nc(C#N)cc(N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)n1	ZINC000404181508	558631582	/nfs/dbraw/zinc/63/15/82/558631582.db2.gz	JKULFTSNIDOYRU-RTBURBONSA-N	1	1	363.465	2.390	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000405947620	558632824	/nfs/dbraw/zinc/63/28/24/558632824.db2.gz	CZNJTLXKXASBHR-LJQANCHMSA-N	1	1	370.478	2.205	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000408135713	558650419	/nfs/dbraw/zinc/65/04/19/558650419.db2.gz	ZIMADOALLVCEAH-SJORKVTESA-N	1	1	360.502	2.052	20	30		FEEDMO
C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC(C)(C#N)CC1	ZINC000408159604	558652625	/nfs/dbraw/zinc/65/26/25/558652625.db2.gz	QUTDGBQTUMQMEI-MRXNPFEDSA-N	1	1	358.461	2.488	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)n1	ZINC000408288361	558664418	/nfs/dbraw/zinc/66/44/18/558664418.db2.gz	XKIJDSMFHFQQST-BPQIPLTHSA-N	1	1	355.486	2.077	20	30		FEEDMO
C[C@H]1[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC[N@@H+]1C	ZINC000409511387	558699240	/nfs/dbraw/zinc/69/92/40/558699240.db2.gz	FEYJJTKCVHCJKL-IINYFYTJSA-N	1	1	361.389	2.338	20	30		FEEDMO
C[C@H]1[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC[N@H+]1C	ZINC000409511387	558699241	/nfs/dbraw/zinc/69/92/41/558699241.db2.gz	FEYJJTKCVHCJKL-IINYFYTJSA-N	1	1	361.389	2.338	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1	ZINC000409527825	558700379	/nfs/dbraw/zinc/70/03/79/558700379.db2.gz	IHLZNPNDRLTOCY-HOTGVXAUSA-N	1	1	368.503	2.123	20	30		FEEDMO
C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCCC1(C#N)CCOCC1	ZINC000410317827	558751321	/nfs/dbraw/zinc/75/13/21/558751321.db2.gz	SYMFRRQZKZIOFM-HNNXBMFYSA-N	1	1	365.499	2.427	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000410685795	558798708	/nfs/dbraw/zinc/79/87/08/558798708.db2.gz	DYEMVUAJUJRDTP-VQTJNVASSA-N	1	1	369.509	2.392	20	30		FEEDMO
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1	ZINC000410900375	558821003	/nfs/dbraw/zinc/82/10/03/558821003.db2.gz	QMMUHAILIPXDQP-DLBZAZTESA-N	1	1	362.518	2.108	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)N(C)C)C1	ZINC000411933359	558990977	/nfs/dbraw/zinc/99/09/77/558990977.db2.gz	AYUFOJVFWWPODK-CABCVRRESA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)N(C)C)C1	ZINC000411933359	558990978	/nfs/dbraw/zinc/99/09/78/558990978.db2.gz	AYUFOJVFWWPODK-CABCVRRESA-N	1	1	374.510	2.429	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000413836882	559133845	/nfs/dbraw/zinc/13/38/45/559133845.db2.gz	PYPRYAGMRMZXSS-AZUAARDMSA-N	1	1	358.530	2.499	20	30		FEEDMO
Cc1cc(NS(=O)(=O)c2cncc(C#N)c2)ccc1OCC[NH+](C)C	ZINC000414387898	559160514	/nfs/dbraw/zinc/16/05/14/559160514.db2.gz	KDJCPSQMFXNYPX-UHFFFAOYSA-N	1	1	360.439	2.003	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@H](O)[C@H](CO)C3)c2)c1	ZINC000414556052	559171362	/nfs/dbraw/zinc/17/13/62/559171362.db2.gz	JEEHUHOXRHIIMR-FPOVZHCZSA-N	1	1	352.434	2.312	20	30		FEEDMO
C=CCOc1c(Br)cc(CNC[C@@H]2C[NH2+]CCO2)cc1OC	ZINC000415093035	559204854	/nfs/dbraw/zinc/20/48/54/559204854.db2.gz	HHZGJRYVRFBHFD-ZDUSSCGKSA-N	1	1	371.275	2.101	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1	ZINC000527190515	562279588	/nfs/dbraw/zinc/27/95/88/562279588.db2.gz	FSHFNAMHMVHECV-KRWDZBQOSA-N	1	1	373.464	2.413	20	30		FEEDMO
C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000416462541	559314823	/nfs/dbraw/zinc/31/48/23/559314823.db2.gz	QZNUMWYHOWPPGF-SFHVURJKSA-N	1	1	365.433	2.315	20	30		FEEDMO
C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000416872739	559335986	/nfs/dbraw/zinc/33/59/86/559335986.db2.gz	CAXYSOJGKONMEX-RYUDHWBXSA-N	1	1	370.375	2.496	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000416872739	559335987	/nfs/dbraw/zinc/33/59/87/559335987.db2.gz	CAXYSOJGKONMEX-RYUDHWBXSA-N	1	1	370.375	2.496	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)NCC3([NH3+])CCCCC3)CC2)cc1	ZINC000418292988	559396669	/nfs/dbraw/zinc/39/66/69/559396669.db2.gz	DODSHLBGCGSMAS-UHFFFAOYSA-N	1	1	369.513	2.437	20	30		FEEDMO
CCOCC[NH+]1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1	ZINC000419632582	559450765	/nfs/dbraw/zinc/45/07/65/559450765.db2.gz	GEBWTROXNGOEFI-IBGZPJMESA-N	1	1	356.470	2.299	20	30		FEEDMO
C[N@@H+](CCCO)C1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1	ZINC000419633455	559450769	/nfs/dbraw/zinc/45/07/69/559450769.db2.gz	HBBIVVUXPUSCBW-FQEVSTJZSA-N	1	1	370.497	2.424	20	30		FEEDMO
C[N@@H+](CCc1cccc(NC(=O)C(=O)NCC2(C#N)CCC2)c1)C1CC1	ZINC000419820979	559461078	/nfs/dbraw/zinc/46/10/78/559461078.db2.gz	SXDBGVHOCDLECO-UHFFFAOYSA-N	1	1	354.454	2.072	20	30		FEEDMO
C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000420930003	559512163	/nfs/dbraw/zinc/51/21/63/559512163.db2.gz	RLWCOBUAQQZUEL-JKSUJKDBSA-N	1	1	362.474	2.085	20	30		FEEDMO
C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000420930003	559512164	/nfs/dbraw/zinc/51/21/64/559512164.db2.gz	RLWCOBUAQQZUEL-JKSUJKDBSA-N	1	1	362.474	2.085	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)C[C@H](CO)C2)cc1	ZINC000420936140	559512603	/nfs/dbraw/zinc/51/26/03/559512603.db2.gz	KKXKJPJTRALOHB-SJORKVTESA-N	1	1	359.470	2.282	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C#N)cn1CC	ZINC000421179335	559529249	/nfs/dbraw/zinc/52/92/49/559529249.db2.gz	ZTNIZCXDALJDSP-JSGCOSHPSA-N	1	1	361.446	2.161	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC	ZINC000422310113	559577590	/nfs/dbraw/zinc/57/75/90/559577590.db2.gz	VMGRELVLBMNRKN-RBUKOAKNSA-N	1	1	357.498	2.281	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422478797	559590854	/nfs/dbraw/zinc/59/08/54/559590854.db2.gz	IQEHOUVGTOXUSC-IAGOWNOFSA-N	1	1	362.518	2.155	20	30		FEEDMO
COc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)N2CCCCC2)cc1	ZINC000424144374	559656080	/nfs/dbraw/zinc/65/60/80/559656080.db2.gz	XJRKGJSRVGYNOD-OALUTQOASA-N	1	1	358.486	2.360	20	30		FEEDMO
COC(=O)[C@@H](CC[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1	ZINC000425381871	559699076	/nfs/dbraw/zinc/69/90/76/559699076.db2.gz	GRGFDYVLBFOKMA-IBGZPJMESA-N	1	1	364.449	2.422	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)nn1	ZINC000425442521	559702436	/nfs/dbraw/zinc/70/24/36/559702436.db2.gz	JMFSDBLUUKYVDS-SFHVURJKSA-N	1	1	360.506	2.308	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C	ZINC000425456416	559702988	/nfs/dbraw/zinc/70/29/88/559702988.db2.gz	WODLNNHKTJQRAQ-OWSLCNJRSA-N	1	1	353.507	2.014	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000425521797	559707567	/nfs/dbraw/zinc/70/75/67/559707567.db2.gz	KZEQSXBXHGDXKM-ZCNNSNEGSA-N	1	1	373.497	2.168	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OC[C@H]2CCCCO2)CC1	ZINC000426803061	559742179	/nfs/dbraw/zinc/74/21/79/559742179.db2.gz	JZRSLSUONAWDKR-POAQFYNOSA-N	1	1	365.518	2.479	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)c3ncc(C#N)cc3Cl)CC2)nc(C)[nH+]1	ZINC000428007898	559767402	/nfs/dbraw/zinc/76/74/02/559767402.db2.gz	YBUJVFMXJGYFFT-UHFFFAOYSA-N	1	1	370.844	2.412	20	30		FEEDMO
Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000428781553	559783223	/nfs/dbraw/zinc/78/32/23/559783223.db2.gz	GZUKCNBMLYFUSG-MOPGFXCFSA-N	1	1	367.449	2.463	20	30		FEEDMO
COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000428788840	559783408	/nfs/dbraw/zinc/78/34/08/559783408.db2.gz	SJBGTQCPNNYTHF-NRFANRHFSA-N	1	1	369.465	2.146	20	30		FEEDMO
COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000428788840	559783409	/nfs/dbraw/zinc/78/34/09/559783409.db2.gz	SJBGTQCPNNYTHF-NRFANRHFSA-N	1	1	369.465	2.146	20	30		FEEDMO
N#Cc1cscc1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000432404905	559858099	/nfs/dbraw/zinc/85/80/99/559858099.db2.gz	VORKLUYZXFRISD-MRXNPFEDSA-N	1	1	354.435	2.322	20	30		FEEDMO
N#Cc1cscc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000432404905	559858100	/nfs/dbraw/zinc/85/81/00/559858100.db2.gz	VORKLUYZXFRISD-MRXNPFEDSA-N	1	1	354.435	2.322	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c(-c2ccncc2)n1	ZINC000435132564	559916978	/nfs/dbraw/zinc/91/69/78/559916978.db2.gz	KGBICHVRHOWCEX-QGZVFWFLSA-N	1	1	352.442	2.089	20	30		FEEDMO
CNC(=O)CCOC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1	ZINC000437644964	559967258	/nfs/dbraw/zinc/96/72/58/559967258.db2.gz	XXOUQUGVEIUEHJ-UHFFFAOYSA-N	1	1	367.396	2.277	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000439354706	559992513	/nfs/dbraw/zinc/99/25/13/559992513.db2.gz	RYPKQIPLSNHTLO-NSHDSACASA-N	1	1	368.359	2.068	20	30		FEEDMO
Cc1cc(F)cc2c1ncc(C#N)c2NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000440668821	560015860	/nfs/dbraw/zinc/01/58/60/560015860.db2.gz	RXCXIEVLBIRION-UHFFFAOYSA-N	1	1	355.461	2.414	20	30		FEEDMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C	ZINC000441090054	560023317	/nfs/dbraw/zinc/02/33/17/560023317.db2.gz	CAWPVIZPTATDBT-CABCVRRESA-N	1	1	372.469	2.225	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C	ZINC000441090054	560023318	/nfs/dbraw/zinc/02/33/18/560023318.db2.gz	CAWPVIZPTATDBT-CABCVRRESA-N	1	1	372.469	2.225	20	30		FEEDMO
N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)c(F)c1	ZINC000441386949	560030859	/nfs/dbraw/zinc/03/08/59/560030859.db2.gz	PZAKSJUEEBZYRJ-UHFFFAOYSA-N	1	1	369.368	2.044	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1nc2ccccc2n1C(F)F	ZINC000444657116	560117599	/nfs/dbraw/zinc/11/75/99/560117599.db2.gz	JJKNUYSCMBFTRI-SNVBAGLBSA-N	1	1	351.357	2.094	20	30		FEEDMO
CC(C)COC[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000444788206	560120989	/nfs/dbraw/zinc/12/09/89/560120989.db2.gz	ZGNRWYPYSJKKIC-INIZCTEOSA-N	1	1	351.878	2.367	20	30		FEEDMO
C=CC[C@H]1N(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCCC1(C)C	ZINC000445153249	560130032	/nfs/dbraw/zinc/13/00/32/560130032.db2.gz	SOAQNYLZEILHEF-IAGOWNOFSA-N	1	1	364.534	2.350	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000448687165	560194332	/nfs/dbraw/zinc/19/43/32/560194332.db2.gz	QASUHJSVIHQKJZ-UHFFFAOYSA-N	1	1	365.481	2.133	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)c3cc(C#N)[nH]c3C)cc2)CC1	ZINC000448709037	560195507	/nfs/dbraw/zinc/19/55/07/560195507.db2.gz	POGRRQDJIJQWKM-UHFFFAOYSA-N	1	1	365.481	2.262	20	30		FEEDMO
N#Cc1ccc(CC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cn1	ZINC000527783973	562303734	/nfs/dbraw/zinc/30/37/34/562303734.db2.gz	BBXKYNRJCLLYBY-UHFFFAOYSA-N	1	1	352.413	2.369	20	30		FEEDMO
N#Cc1ccc(CC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cn1	ZINC000527783973	562303735	/nfs/dbraw/zinc/30/37/35/562303735.db2.gz	BBXKYNRJCLLYBY-UHFFFAOYSA-N	1	1	352.413	2.369	20	30		FEEDMO
C=CCC1(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCCC1	ZINC000449256617	560222052	/nfs/dbraw/zinc/22/20/52/560222052.db2.gz	JPBOTDBVTGPXIO-UHFFFAOYSA-N	1	1	357.502	2.241	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2C[C@@H](C(=O)OCC)C3(COC3)C2)cc1OC	ZINC000449358591	560226586	/nfs/dbraw/zinc/22/65/86/560226586.db2.gz	FWMCECAUAVZGDZ-INIZCTEOSA-N	1	1	361.438	2.272	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000450229067	560254831	/nfs/dbraw/zinc/25/48/31/560254831.db2.gz	WEAYQBIMDKFRFP-WTGUMLROSA-N	1	1	363.546	2.373	20	30		FEEDMO
C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000450615935	560268048	/nfs/dbraw/zinc/26/80/48/560268048.db2.gz	QDGIKWNMMUDTAH-WEMWZYORSA-N	1	1	361.445	2.496	20	30		FEEDMO
C[C@H](c1ccccc1)[C@H](O)C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000450615935	560268049	/nfs/dbraw/zinc/26/80/49/560268049.db2.gz	QDGIKWNMMUDTAH-WEMWZYORSA-N	1	1	361.445	2.496	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1	ZINC000450772317	560272889	/nfs/dbraw/zinc/27/28/89/560272889.db2.gz	KWKDGJPNQIZGGQ-GOSISDBHSA-N	1	1	355.486	2.032	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)C[N@@H+]1C1CC1	ZINC000451293855	560298510	/nfs/dbraw/zinc/29/85/10/560298510.db2.gz	FZZKVRATHVFNNS-WCQYABFASA-N	1	1	353.875	2.310	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)C[N@H+]1C1CC1	ZINC000451293855	560298511	/nfs/dbraw/zinc/29/85/11/560298511.db2.gz	FZZKVRATHVFNNS-WCQYABFASA-N	1	1	353.875	2.310	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)[C@@H]2C1	ZINC000451382677	560303749	/nfs/dbraw/zinc/30/37/49/560303749.db2.gz	ITABEZXUSLFEGR-UKRRQHHQSA-N	1	1	353.875	2.121	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1	ZINC000451665599	560320784	/nfs/dbraw/zinc/32/07/84/560320784.db2.gz	NQTZTDBVGJSKJA-IYBDPMFKSA-N	1	1	363.527	2.290	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1	ZINC000451703135	560323358	/nfs/dbraw/zinc/32/33/58/560323358.db2.gz	DOCRMHOTMOEOHG-RTBURBONSA-N	1	1	356.514	2.448	20	30		FEEDMO
COc1cc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)ccc1OCc1cccc(C#N)c1	ZINC000451755271	560326707	/nfs/dbraw/zinc/32/67/07/560326707.db2.gz	DRJDUTOTCKMGNV-WIYYLYMNSA-N	1	1	368.433	2.337	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C1CCN(CCC(F)(F)F)CC1	ZINC000452120550	560352438	/nfs/dbraw/zinc/35/24/38/560352438.db2.gz	RRDIUZCOXDIVAO-INIZCTEOSA-N	1	1	362.440	2.389	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1	ZINC000452120550	560352439	/nfs/dbraw/zinc/35/24/39/560352439.db2.gz	RRDIUZCOXDIVAO-INIZCTEOSA-N	1	1	362.440	2.389	20	30		FEEDMO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1	ZINC000453433048	560386581	/nfs/dbraw/zinc/38/65/81/560386581.db2.gz	FWDGZEIIOXSTKE-HNNXBMFYSA-N	1	1	369.473	2.030	20	30		FEEDMO
C=C(CC)CNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1	ZINC000454028629	560423350	/nfs/dbraw/zinc/42/33/50/560423350.db2.gz	KRPGBISZDIRGIV-HOTGVXAUSA-N	1	1	359.470	2.317	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)cc1	ZINC000454065696	560426117	/nfs/dbraw/zinc/42/61/17/560426117.db2.gz	GFRXBRNANOYFHH-UHFFFAOYSA-N	1	1	356.470	2.417	20	30		FEEDMO
C=C(CC)CNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000454286179	560437984	/nfs/dbraw/zinc/43/79/84/560437984.db2.gz	IWLVGRMAACYBGC-UHFFFAOYSA-N	1	1	374.485	2.113	20	30		FEEDMO
C=C(CC)CNC(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000455514946	560485378	/nfs/dbraw/zinc/48/53/78/560485378.db2.gz	ASRWECTUOLMKBW-IRXDYDNUSA-N	1	1	353.507	2.252	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(C#N)c(F)c1	ZINC000455550396	560486637	/nfs/dbraw/zinc/48/66/37/560486637.db2.gz	VZCAOTSFMZRORK-CQSZACIVSA-N	1	1	360.433	2.092	20	30		FEEDMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H]1C	ZINC000455696913	560492242	/nfs/dbraw/zinc/49/22/42/560492242.db2.gz	DEJGTIZMFIYEJO-CHWSQXEVSA-N	1	1	350.850	2.325	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H]1C	ZINC000455696913	560492243	/nfs/dbraw/zinc/49/22/43/560492243.db2.gz	DEJGTIZMFIYEJO-CHWSQXEVSA-N	1	1	350.850	2.325	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)C2)n1	ZINC000457142191	560552645	/nfs/dbraw/zinc/55/26/45/560552645.db2.gz	ZVUBFVAGNWEAEQ-RTBURBONSA-N	1	1	369.513	2.419	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)C2)n1	ZINC000457142189	560552801	/nfs/dbraw/zinc/55/28/01/560552801.db2.gz	ZVUBFVAGNWEAEQ-RBUKOAKNSA-N	1	1	369.513	2.419	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000458363091	560617144	/nfs/dbraw/zinc/61/71/44/560617144.db2.gz	KFKKPADQYYQSPQ-QGZVFWFLSA-N	1	1	367.534	2.426	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000459038707	560663071	/nfs/dbraw/zinc/66/30/71/560663071.db2.gz	WKTHGXJDNXGDMP-NMLBUPMWSA-N	1	1	355.482	2.493	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)CCO1	ZINC000459104053	560666953	/nfs/dbraw/zinc/66/69/53/560666953.db2.gz	BMKVURODXAEXTA-CQSZACIVSA-N	1	1	360.433	2.092	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)NCc2ccc(C#N)c(F)c2)CC[N@H+]1CCOC	ZINC000459122231	560667995	/nfs/dbraw/zinc/66/79/95/560667995.db2.gz	OJHCRNBFCGVZGK-QGZVFWFLSA-N	1	1	362.449	2.340	20	30		FEEDMO
CCCn1cc(C[N@@H+]2CCCN(C(=O)NCC(C)(C)CC#N)CC2)cn1	ZINC000459264638	560676633	/nfs/dbraw/zinc/67/66/33/560676633.db2.gz	ZNADINUGESEIKC-UHFFFAOYSA-N	1	1	360.506	2.450	20	30		FEEDMO
CCCn1cc(C[N@H+]2CCCN(C(=O)NCC(C)(C)CC#N)CC2)cn1	ZINC000459264638	560676634	/nfs/dbraw/zinc/67/66/34/560676634.db2.gz	ZNADINUGESEIKC-UHFFFAOYSA-N	1	1	360.506	2.450	20	30		FEEDMO
C=C(C)Cn1c(COCC)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000460369478	560742521	/nfs/dbraw/zinc/74/25/21/560742521.db2.gz	JGVFGRDRAUVECV-INIZCTEOSA-N	1	1	363.506	2.080	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1	ZINC000460379397	560742771	/nfs/dbraw/zinc/74/27/71/560742771.db2.gz	HQOXRJUAJQHBOB-CVEARBPZSA-N	1	1	362.522	2.301	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1C	ZINC000462087804	560796200	/nfs/dbraw/zinc/79/62/00/560796200.db2.gz	FBNSTINESUNMSL-PBHICJAKSA-N	1	1	367.457	2.475	20	30		FEEDMO
COc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)ccc1OCc1cccc(C#N)c1	ZINC000462339188	560806719	/nfs/dbraw/zinc/80/67/19/560806719.db2.gz	XXYOPTPNOQGARX-MOPGFXCFSA-N	1	1	368.433	2.073	20	30		FEEDMO
CCN1CC[NH+](CCC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)CC1	ZINC000468765926	560938129	/nfs/dbraw/zinc/93/81/29/560938129.db2.gz	AYNLDFGJURUWCS-INIZCTEOSA-N	1	1	368.403	2.414	20	30		FEEDMO
C=CCOc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Cl	ZINC000469993124	560970943	/nfs/dbraw/zinc/97/09/43/560970943.db2.gz	RVUHJNGPXJDHQZ-HNNXBMFYSA-N	1	1	351.878	2.192	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H]1C	ZINC000470002438	560971787	/nfs/dbraw/zinc/97/17/87/560971787.db2.gz	JKQYURSXSWVVNA-FUHWJXTLSA-N	1	1	357.454	2.434	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H]1C	ZINC000470002438	560971788	/nfs/dbraw/zinc/97/17/88/560971788.db2.gz	JKQYURSXSWVVNA-FUHWJXTLSA-N	1	1	357.454	2.434	20	30		FEEDMO
Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccc(F)cc1C#N	ZINC000470814951	560990365	/nfs/dbraw/zinc/99/03/65/560990365.db2.gz	GRPYEFZLKIYZSR-ROUUACIJSA-N	1	1	359.424	2.475	20	30		FEEDMO
Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ccc(F)cc1C#N	ZINC000470814951	560990366	/nfs/dbraw/zinc/99/03/66/560990366.db2.gz	GRPYEFZLKIYZSR-ROUUACIJSA-N	1	1	359.424	2.475	20	30		FEEDMO
C[N@@H+](CCOc1cccc(C#N)c1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1	ZINC000470823337	560990812	/nfs/dbraw/zinc/99/08/12/560990812.db2.gz	WSEIIPQXOSUSTI-ROUUACIJSA-N	1	1	369.444	2.271	20	30		FEEDMO
N#C[C@@H](c1cccc(Cl)c1)N1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1	ZINC000471024951	560996695	/nfs/dbraw/zinc/99/66/95/560996695.db2.gz	GLWIKTWIXINZCF-ZCNNSNEGSA-N	1	1	374.916	2.385	20	30		FEEDMO
N#C[C@@H](c1cccc(Cl)c1)N1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1	ZINC000471024951	560996696	/nfs/dbraw/zinc/99/66/96/560996696.db2.gz	GLWIKTWIXINZCF-ZCNNSNEGSA-N	1	1	374.916	2.385	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)c2cnn(C)c2C#N)CC[N@@H+]1Cc1ccccc1	ZINC000476587100	561123408	/nfs/dbraw/zinc/12/34/08/561123408.db2.gz	HERIWUTYBFJOAZ-QGZVFWFLSA-N	1	1	351.454	2.418	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)c2cnn(C)c2C#N)CC[N@H+]1Cc1ccccc1	ZINC000476587100	561123409	/nfs/dbraw/zinc/12/34/09/561123409.db2.gz	HERIWUTYBFJOAZ-QGZVFWFLSA-N	1	1	351.454	2.418	20	30		FEEDMO
N#CC1(C[C@@H](O)C[NH+]2CCN(C(=O)Cc3cccc(Cl)c3)CC2)CC1	ZINC000528388579	562326346	/nfs/dbraw/zinc/32/63/46/562326346.db2.gz	JMHRRZJSCVUBDX-QGZVFWFLSA-N	1	1	361.873	2.081	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCCC2(CCOCC2)C1	ZINC000528388124	562326403	/nfs/dbraw/zinc/32/64/03/562326403.db2.gz	IYSDJHQWDWTSJG-UHFFFAOYSA-N	1	1	352.434	2.179	20	30		FEEDMO
CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000528405162	562327255	/nfs/dbraw/zinc/32/72/55/562327255.db2.gz	QIRMPOHPOGILOK-MAUKXSAKSA-N	1	1	369.444	2.256	20	30		FEEDMO
N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1	ZINC000528490059	562331920	/nfs/dbraw/zinc/33/19/20/562331920.db2.gz	PPNNAGRRZVZVIB-MSOLQXFVSA-N	1	1	363.889	2.188	20	30		FEEDMO
Cn1cc([C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3C#N)CC2(C)C)cn1	ZINC000528513685	562333380	/nfs/dbraw/zinc/33/33/80/562333380.db2.gz	FJMBTOLGZPESMH-ROUUACIJSA-N	1	1	354.454	2.157	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1	ZINC000528517846	562333697	/nfs/dbraw/zinc/33/36/97/562333697.db2.gz	PHYPUCWBCQZWMC-SVFBPWRDSA-N	1	1	370.424	2.098	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1	ZINC000528517846	562333698	/nfs/dbraw/zinc/33/36/98/562333698.db2.gz	PHYPUCWBCQZWMC-SVFBPWRDSA-N	1	1	370.424	2.098	20	30		FEEDMO
COCc1ccc(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1C#N	ZINC000529212348	562365035	/nfs/dbraw/zinc/36/50/35/562365035.db2.gz	IQDFHAJGIJBCFD-UHFFFAOYSA-N	1	1	360.458	2.015	20	30		FEEDMO
CC(C)[C@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC[N@H+]1Cc1ccccc1	ZINC000529806193	562386251	/nfs/dbraw/zinc/38/62/51/562386251.db2.gz	ZPFQLSDEQKDNCR-SJLPKXTDSA-N	1	1	366.469	2.080	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)Cc3cccc(C#N)c3)cc2)CC1	ZINC000530668778	562419827	/nfs/dbraw/zinc/41/98/27/562419827.db2.gz	ASJRFVKHBCGVEV-UHFFFAOYSA-N	1	1	362.433	2.127	20	30		FEEDMO
C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cnn(C)c1	ZINC000530924587	562428842	/nfs/dbraw/zinc/42/88/42/562428842.db2.gz	KOYWLISQONKVLY-INIZCTEOSA-N	1	1	351.454	2.130	20	30		FEEDMO
C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cnn(C)c1	ZINC000530924587	562428843	/nfs/dbraw/zinc/42/88/43/562428843.db2.gz	KOYWLISQONKVLY-INIZCTEOSA-N	1	1	351.454	2.130	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000531012693	562431836	/nfs/dbraw/zinc/43/18/36/562431836.db2.gz	HIXHSHJULDEJMD-SWLSCSKDSA-N	1	1	362.861	2.481	20	30		FEEDMO
N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000532706677	562486117	/nfs/dbraw/zinc/48/61/17/562486117.db2.gz	ZWTPRLJBVPGGIP-OAHLLOKOSA-N	1	1	353.382	2.427	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000534129338	562526062	/nfs/dbraw/zinc/52/60/62/562526062.db2.gz	NHMVWZWRNPAXBN-SJLPKXTDSA-N	1	1	354.454	2.018	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000534129338	562526063	/nfs/dbraw/zinc/52/60/63/562526063.db2.gz	NHMVWZWRNPAXBN-SJLPKXTDSA-N	1	1	354.454	2.018	20	30		FEEDMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCOc2ccc(C#N)cc2)C1	ZINC000534531212	562536115	/nfs/dbraw/zinc/53/61/15/562536115.db2.gz	PHVCBMFFRVVGCH-IBGZPJMESA-N	1	1	350.422	2.423	20	30		FEEDMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCOc2ccc(C#N)cc2)C1	ZINC000534531212	562536116	/nfs/dbraw/zinc/53/61/16/562536116.db2.gz	PHVCBMFFRVVGCH-IBGZPJMESA-N	1	1	350.422	2.423	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000535079288	562550614	/nfs/dbraw/zinc/55/06/14/562550614.db2.gz	LMWSFZPRUMCDLE-ZLPCBKJTSA-N	1	1	371.485	2.379	20	30		FEEDMO
COc1ccc2c(c1)CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000535549843	562560944	/nfs/dbraw/zinc/56/09/44/562560944.db2.gz	MUNPHWLTPGXJLG-LJQANCHMSA-N	1	1	352.434	2.407	20	30		FEEDMO
N#Cc1cnn2cc(C[NH2+]Cc3cccnc3OCC(F)(F)F)cnc12	ZINC000550156582	562643465	/nfs/dbraw/zinc/64/34/65/562643465.db2.gz	CGBBVTSCTXDIRB-UHFFFAOYSA-N	1	1	362.315	2.227	20	30		FEEDMO
COCCOCCOc1ccc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1	ZINC000602855082	568002224	/nfs/dbraw/zinc/00/22/24/568002224.db2.gz	RRRMZPPIBNBZAR-HDICACEKSA-N	1	1	361.486	2.147	20	30		FEEDMO
COC(=O)[C@@]1(C)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000602933083	568019993	/nfs/dbraw/zinc/01/99/93/568019993.db2.gz	ZRCQMIIJUPGZHT-FTRWYGJKSA-N	1	1	357.454	2.453	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(OCc3nccn3C)cc2)C[C@H](C)N1CC#N	ZINC000602863176	568050041	/nfs/dbraw/zinc/05/00/41/568050041.db2.gz	OZEVKSVMIOUMIG-CALCHBBNSA-N	1	1	353.470	2.417	20	30		FEEDMO
C[N@@H+]1CC=C(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1	ZINC000568571681	568057303	/nfs/dbraw/zinc/05/73/03/568057303.db2.gz	QJDVYIPFUHWSCW-UHFFFAOYSA-N	1	1	359.373	2.117	20	30		FEEDMO
CC1(C)[C@H](NC(=O)c2cc3ccccc3n2CC#N)C[C@@H]1[NH+]1CCOCC1	ZINC000603115928	568063466	/nfs/dbraw/zinc/06/34/66/568063466.db2.gz	LOSGKMIQTZJCGO-MOPGFXCFSA-N	1	1	366.465	2.394	20	30		FEEDMO
CC[NH+](CC)Cc1cn(CC(=O)Nc2ccccc2SCC#N)nn1	ZINC000603178325	568068261	/nfs/dbraw/zinc/06/82/61/568068261.db2.gz	SPGDTDMTBJVLMJ-UHFFFAOYSA-N	1	1	358.471	2.374	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1	ZINC000603842987	568155439	/nfs/dbraw/zinc/15/54/39/568155439.db2.gz	VWYHPYQKLQWPHT-ZWKOTPCHSA-N	1	1	352.438	2.162	20	30		FEEDMO
COc1ccc(C2([NH2+]CCS(=O)(=O)c3ccc(C#N)cn3)CC2)cc1	ZINC000568796361	568222152	/nfs/dbraw/zinc/22/21/52/568222152.db2.gz	WTPIFUHVQYSDEZ-UHFFFAOYSA-N	1	1	357.435	2.014	20	30		FEEDMO
C=CCc1cc(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc(OC)c1OC	ZINC000604185439	568222557	/nfs/dbraw/zinc/22/25/57/568222557.db2.gz	NGCFTEKQZMXZJJ-INIZCTEOSA-N	1	1	359.470	2.468	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C1	ZINC000557599263	674456783	/nfs/dbraw/zinc/45/67/83/674456783.db2.gz	AWONLYGDTSLLNX-AWEZNQCLSA-N	1	1	351.447	2.050	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)s1)c1ccc(F)cc1	ZINC000557848040	674470586	/nfs/dbraw/zinc/47/05/86/674470586.db2.gz	BOCXGSNEEJKECE-CQSZACIVSA-N	1	1	353.444	2.340	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2	ZINC000809568384	674498098	/nfs/dbraw/zinc/49/80/98/674498098.db2.gz	MTTBDCXAXNSTLD-XVTSOASTSA-N	1	1	351.491	2.446	20	30		FEEDMO
N#CC1(NC(=O)C[NH2+][C@H]2CCOc3c(Br)cccc32)CCC1	ZINC000558613117	674506665	/nfs/dbraw/zinc/50/66/65/674506665.db2.gz	PDRUXLYPBGPDDE-ZDUSSCGKSA-N	1	1	364.243	2.425	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC000822801931	606071978	/nfs/dbraw/zinc/07/19/78/606071978.db2.gz	RMCWVSAVIKAFQG-LJQANCHMSA-N	1	1	359.437	2.249	20	30		FEEDMO
CCOc1nc(C(F)(F)F)ccc1C(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000559264594	674534455	/nfs/dbraw/zinc/53/44/55/674534455.db2.gz	JGWBSQMAWQBAJK-UHFFFAOYSA-N	1	1	356.348	2.217	20	30		FEEDMO
CCC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(F)cc1F	ZINC000814728460	674876928	/nfs/dbraw/zinc/87/69/28/674876928.db2.gz	XTAAGACHTDPHCS-UHFFFAOYSA-N	1	1	370.469	2.265	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1ncc(C#N)cc1Cl	ZINC001048710820	675013409	/nfs/dbraw/zinc/01/34/09/675013409.db2.gz	IXGAWHIAXGWMGC-CWRNSKLLSA-N	1	1	361.877	2.032	20	30		FEEDMO
C=C(Br)CN1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2C1	ZINC001048827826	675015904	/nfs/dbraw/zinc/01/59/04/675015904.db2.gz	IJKJNWABDXDZLL-XUWVNRHRSA-N	1	1	370.335	2.016	20	30		FEEDMO
Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cnn(C)c3C#N)C2)s1	ZINC000565093596	675094218	/nfs/dbraw/zinc/09/42/18/675094218.db2.gz	NOQQNENFDRVYKW-CQSZACIVSA-N	1	1	357.483	2.256	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](n3ccnn3)C2)cc1Cl	ZINC000580437778	671807441	/nfs/dbraw/zinc/80/74/41/671807441.db2.gz	WVHCMCYKKAJNSJ-HNNXBMFYSA-N	1	1	358.833	2.469	20	30		FEEDMO
N#Cc1c(F)cccc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000123298274	671977747	/nfs/dbraw/zinc/97/77/47/671977747.db2.gz	RTQUAZLVWBKBSV-UHFFFAOYSA-N	1	1	351.447	2.336	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000131404059	672087703	/nfs/dbraw/zinc/08/77/03/672087703.db2.gz	RSSTXRVOLDPSGO-OAHLLOKOSA-N	1	1	352.479	2.128	20	30		FEEDMO
CCC[N@@H+](CC)CCNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000583398603	672091077	/nfs/dbraw/zinc/09/10/77/672091077.db2.gz	BNSJCVDNMYDPDD-UHFFFAOYSA-N	1	1	374.304	2.331	20	30		FEEDMO
CC(C)(C)NC(=[NH2+])NCc1nc(-c2ccc(Br)cc2)n[nH]1	ZINC000170914672	672326979	/nfs/dbraw/zinc/32/69/79/672326979.db2.gz	BRNSHIJHYUQCLV-UHFFFAOYSA-N	1	1	351.252	2.437	20	30		FEEDMO
CC(C)(C)NC(=[NH2+])NCc1n[nH]c(-c2ccc(Br)cc2)n1	ZINC000170914672	672326981	/nfs/dbraw/zinc/32/69/81/672326981.db2.gz	BRNSHIJHYUQCLV-UHFFFAOYSA-N	1	1	351.252	2.437	20	30		FEEDMO
O=C(NCC[NH2+]Cc1cc(F)ccc1Br)C1N=CC=CC1=O	ZINC000179554481	672403197	/nfs/dbraw/zinc/40/31/97/672403197.db2.gz	ZXZFPSFUYXKEQU-PFONDFGASA-N	1	1	368.206	2.204	20	30		FEEDMO
C[N@H+]1C[C@H]2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)[C@@H]2C1	ZINC000590012740	672554634	/nfs/dbraw/zinc/55/46/34/672554634.db2.gz	XDOBZISKBHEFMJ-CZUORRHYSA-N	1	1	358.511	2.463	20	30		FEEDMO
C[N@H+]1C[C@@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)[C@@H]2C1	ZINC000590010711	672554699	/nfs/dbraw/zinc/55/46/99/672554699.db2.gz	BYSIAHYLNUKLTM-XJKSGUPXSA-N	1	1	358.511	2.463	20	30		FEEDMO
CN1C[C@@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)[C@@H]2C1	ZINC000590010711	672554702	/nfs/dbraw/zinc/55/47/02/672554702.db2.gz	BYSIAHYLNUKLTM-XJKSGUPXSA-N	1	1	358.511	2.463	20	30		FEEDMO
CN1C[C@@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)[C@@H]2C1	ZINC000590010711	672554704	/nfs/dbraw/zinc/55/47/04/672554704.db2.gz	BYSIAHYLNUKLTM-XJKSGUPXSA-N	1	1	358.511	2.463	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1	ZINC000611432048	676036886	/nfs/dbraw/zinc/03/68/86/676036886.db2.gz	JRIVJPMQBVEYSM-NVXWUHKLSA-N	1	1	351.878	2.245	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)C[C@@H]21	ZINC000590791602	672618636	/nfs/dbraw/zinc/61/86/36/672618636.db2.gz	ILOMJVQZWGIKDA-RISCZKNCSA-N	1	1	360.483	2.018	20	30		FEEDMO
CC(C)(CO)[NH+]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1	ZINC000611515714	676041921	/nfs/dbraw/zinc/04/19/21/676041921.db2.gz	FRNXMZIJKDCRAF-UHFFFAOYSA-N	1	1	356.253	2.394	20	30		FEEDMO
Cc1nnc([C@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1	ZINC000591053836	672645102	/nfs/dbraw/zinc/64/51/02/672645102.db2.gz	WMACEKFHQNTDDM-ZDUSSCGKSA-N	1	1	358.833	2.456	20	30		FEEDMO
Cc1n[nH]c([C@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1	ZINC000591053836	672645104	/nfs/dbraw/zinc/64/51/04/672645104.db2.gz	WMACEKFHQNTDDM-ZDUSSCGKSA-N	1	1	358.833	2.456	20	30		FEEDMO
Cc1n[nH]c([C@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1	ZINC000591053836	672645107	/nfs/dbraw/zinc/64/51/07/672645107.db2.gz	WMACEKFHQNTDDM-ZDUSSCGKSA-N	1	1	358.833	2.456	20	30		FEEDMO
Cc1nc([C@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1	ZINC000591053836	672645110	/nfs/dbraw/zinc/64/51/10/672645110.db2.gz	WMACEKFHQNTDDM-ZDUSSCGKSA-N	1	1	358.833	2.456	20	30		FEEDMO
Cc1nc([C@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1	ZINC000591053836	672645113	/nfs/dbraw/zinc/64/51/13/672645113.db2.gz	WMACEKFHQNTDDM-ZDUSSCGKSA-N	1	1	358.833	2.456	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)c1ccccc1Cl	ZINC000591896557	672719052	/nfs/dbraw/zinc/71/90/52/672719052.db2.gz	OQTYVSVJVILOKA-WBVHZDCISA-N	1	1	350.850	2.003	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1	ZINC000592285138	672780667	/nfs/dbraw/zinc/78/06/67/672780667.db2.gz	LQIWDGNTJUHKDP-UHFFFAOYSA-N	1	1	368.499	2.413	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C1CC1	ZINC000593132349	672881054	/nfs/dbraw/zinc/88/10/54/672881054.db2.gz	UFKKRQLVTNPBNM-LSDHHAIUSA-N	1	1	361.829	2.281	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cc1ccc(Br)cc1C#N	ZINC000593175176	672886820	/nfs/dbraw/zinc/88/68/20/672886820.db2.gz	FCNUTJMSWUOZSA-HNNXBMFYSA-N	1	1	350.260	2.416	20	30		FEEDMO
C[NH+]=C(NC[C@@H]1CCCS1)NCC1(N2CCSCC2)CCCC1	ZINC000261933802	672905344	/nfs/dbraw/zinc/90/53/44/672905344.db2.gz	CAJGTLZELRZNSB-HNNXBMFYSA-N	1	1	356.605	2.409	20	30		FEEDMO
CC[C@H]1CN(C(NCC(C)(C)N2CCC(OC)CC2)=[NH+]C)CCS1	ZINC000262039373	672908499	/nfs/dbraw/zinc/90/84/99/672908499.db2.gz	YDNKYOQSRPZPOP-INIZCTEOSA-N	1	1	356.580	2.279	20	30		FEEDMO
COCC[N@@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)C(C)(C)C1	ZINC000593337087	672910066	/nfs/dbraw/zinc/91/00/66/672910066.db2.gz	CLEPDKJQINJJDW-UHFFFAOYSA-N	1	1	361.511	2.361	20	30		FEEDMO
COCC[N@H+]1CCN(C(=O)CSCc2ccc(C#N)cc2)C(C)(C)C1	ZINC000593337087	672910072	/nfs/dbraw/zinc/91/00/72/672910072.db2.gz	CLEPDKJQINJJDW-UHFFFAOYSA-N	1	1	361.511	2.361	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)[C@@H](C)[C@H](C)[N@@H+]1Cc1ccccc1	ZINC000593621766	672960228	/nfs/dbraw/zinc/96/02/28/672960228.db2.gz	SFUUPFRSMJDFCT-IKGGRYGDSA-N	1	1	364.515	2.060	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)[C@@H](C)[C@H](C)[N@H+]1Cc1ccccc1	ZINC000593621766	672960233	/nfs/dbraw/zinc/96/02/33/672960233.db2.gz	SFUUPFRSMJDFCT-IKGGRYGDSA-N	1	1	364.515	2.060	20	30		FEEDMO
CC(C)CNC(=O)N1CCC[C@H](C(=O)NCC[NH+]2CCSCC2)C1	ZINC000329579673	673079728	/nfs/dbraw/zinc/07/97/28/673079728.db2.gz	PMYZOHSDEPSHEZ-HNNXBMFYSA-N	1	1	356.536	2.274	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21	ZINC000594775468	673138126	/nfs/dbraw/zinc/13/81/26/673138126.db2.gz	AQNVPZCFFPRLAM-ZFWWWQNUSA-N	1	1	361.492	2.406	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21	ZINC000594775468	673138130	/nfs/dbraw/zinc/13/81/30/673138130.db2.gz	AQNVPZCFFPRLAM-ZFWWWQNUSA-N	1	1	361.492	2.406	20	30		FEEDMO
C[N@@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000594851073	673163189	/nfs/dbraw/zinc/16/31/89/673163189.db2.gz	ZMDBYDXNVUEPBK-MRXNPFEDSA-N	1	1	359.451	2.089	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCOCCO)C1CCC1	ZINC000595601570	673272330	/nfs/dbraw/zinc/27/23/30/673272330.db2.gz	SIWNLZARXQODKL-UHFFFAOYSA-N	1	1	351.834	2.014	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCOCCO)C1CCC1	ZINC000595601570	673272333	/nfs/dbraw/zinc/27/23/33/673272333.db2.gz	SIWNLZARXQODKL-UHFFFAOYSA-N	1	1	351.834	2.014	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=S)Nc2ccccc2C#N)CC1	ZINC000730467624	673282012	/nfs/dbraw/zinc/28/20/12/673282012.db2.gz	HKCYHSZMBUVAMF-QGZVFWFLSA-N	1	1	357.527	2.357	20	30		FEEDMO
N#Cc1cc(Br)ccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1	ZINC000596538621	673392572	/nfs/dbraw/zinc/39/25/72/673392572.db2.gz	MWJUQZSIWYBOCF-HNNXBMFYSA-N	1	1	350.260	2.356	20	30		FEEDMO
C=CC[C@H](C)NC(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000538057514	673420494	/nfs/dbraw/zinc/42/04/94/673420494.db2.gz	WPPQQFXFIHVTOK-ULQDDVLXSA-N	1	1	353.507	2.251	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCCNC(=O)c2cc(F)c(C#N)c(F)c2)C[C@H](C)O1	ZINC000597361981	673471683	/nfs/dbraw/zinc/47/16/83/673471683.db2.gz	VYJGZYKUPDYRSX-BETUJISGSA-N	1	1	351.397	2.456	20	30		FEEDMO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1	ZINC000597862259	673513783	/nfs/dbraw/zinc/51/37/83/673513783.db2.gz	YTIPLGCRKLJZQV-IFXJQAMLSA-N	1	1	351.491	2.485	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CCc1cnccn1	ZINC000540048833	673521166	/nfs/dbraw/zinc/52/11/66/673521166.db2.gz	YRUYRZVCYCLMFC-GFCCVEGCSA-N	1	1	355.467	2.400	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCc1cnccn1	ZINC000540048833	673521171	/nfs/dbraw/zinc/52/11/71/673521171.db2.gz	YRUYRZVCYCLMFC-GFCCVEGCSA-N	1	1	355.467	2.400	20	30		FEEDMO
C[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H](c1cccs1)N1CCOCC1	ZINC000598588410	673587262	/nfs/dbraw/zinc/58/72/62/673587262.db2.gz	LKXAPGGHIALHLB-CVEARBPZSA-N	1	1	351.516	2.354	20	30		FEEDMO
COc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000542912611	673614816	/nfs/dbraw/zinc/61/48/16/673614816.db2.gz	NZHCTTORQLDOPM-MRXNPFEDSA-N	1	1	359.813	2.482	20	30		FEEDMO
N#Cc1cnc2c(Br)cccc2c1NCC[N@@H+]1CC[C@@H](O)C1	ZINC000599175950	673638648	/nfs/dbraw/zinc/63/86/48/673638648.db2.gz	KSZPPBDVJKFLFR-GFCCVEGCSA-N	1	1	361.243	2.347	20	30		FEEDMO
CC(C)(C)OC(=O)C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CCC1	ZINC000599454573	673677179	/nfs/dbraw/zinc/67/71/79/673677179.db2.gz	RCCQJGXSWCSOGB-INIZCTEOSA-N	1	1	352.475	2.254	20	30		FEEDMO
CC(C)(C)OC(=O)C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CCC1	ZINC000599454573	673677180	/nfs/dbraw/zinc/67/71/80/673677180.db2.gz	RCCQJGXSWCSOGB-INIZCTEOSA-N	1	1	352.475	2.254	20	30		FEEDMO
N#CCc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000601376656	673851494	/nfs/dbraw/zinc/85/14/94/673851494.db2.gz	NMOQYQPZJIVRAJ-FUHWJXTLSA-N	1	1	359.495	2.390	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2CC#N)[C@@H]1c1ccccc1	ZINC000601378607	673851894	/nfs/dbraw/zinc/85/18/94/673851894.db2.gz	CWGNYRBNTYOODS-MJGOQNOKSA-N	1	1	355.463	2.476	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2CC#N)[C@@H]1c1ccccc1	ZINC000601378607	673851895	/nfs/dbraw/zinc/85/18/95/673851895.db2.gz	CWGNYRBNTYOODS-MJGOQNOKSA-N	1	1	355.463	2.476	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1	ZINC000602923363	673913940	/nfs/dbraw/zinc/91/39/40/673913940.db2.gz	IAWDPNRIODXYGQ-HZPDHXFCSA-N	1	1	357.435	2.072	20	30		FEEDMO
CC(C)[C@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000566393757	675210266	/nfs/dbraw/zinc/21/02/66/675210266.db2.gz	GAIWQELXBMEKRD-DLBZAZTESA-N	1	1	360.527	2.435	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C1=Cc2cc(Br)ccc2OC1	ZINC000818608957	675228522	/nfs/dbraw/zinc/22/85/22/675228522.db2.gz	AYNOQPFKFJIVPR-UHFFFAOYSA-N	1	1	363.255	2.296	20	30		FEEDMO
N#Cc1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)c1	ZINC000820079974	675335077	/nfs/dbraw/zinc/33/50/77/675335077.db2.gz	ZTFUKUVLEHQHHS-QLPKVWCKSA-N	1	1	352.825	2.467	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](CC)C[C@H]2C)c1	ZINC000822569629	675492479	/nfs/dbraw/zinc/49/24/79/675492479.db2.gz	VBOQZDWBYPVYRL-MRXNPFEDSA-N	1	1	362.495	2.040	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[N@H+](CC)C[C@H]2C)c1	ZINC000822569629	675492480	/nfs/dbraw/zinc/49/24/80/675492480.db2.gz	VBOQZDWBYPVYRL-MRXNPFEDSA-N	1	1	362.495	2.040	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1	ZINC000603840832	675801355	/nfs/dbraw/zinc/80/13/55/675801355.db2.gz	ZEBCWJBVTPSMQD-GOEBONIOSA-N	1	1	358.360	2.341	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccc(F)cc1	ZINC000619477794	676379313	/nfs/dbraw/zinc/37/93/13/676379313.db2.gz	PGPAYUVNQJZYCX-SFHVURJKSA-N	1	1	361.442	2.473	20	30		FEEDMO
C=CCn1c(-c2cc(C)cs2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000624854542	676598702	/nfs/dbraw/zinc/59/87/02/676598702.db2.gz	NXVTXCNYPVFACW-HNNXBMFYSA-N	1	1	359.499	2.412	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccccc1NCCC[N@H+]1CCCO[C@@H](C)C1	ZINC000641536752	677209361	/nfs/dbraw/zinc/20/93/61/677209361.db2.gz	GXUUKRRHDKWISS-INIZCTEOSA-N	1	1	367.515	2.064	20	30		FEEDMO
C=C(Br)CNC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000760826970	680702237	/nfs/dbraw/zinc/70/22/37/680702237.db2.gz	IFNYBMFDEMIOIX-UHFFFAOYSA-N	1	1	373.339	2.095	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC(Oc2ccc(Cl)cn2)CC1	ZINC000838622602	680706574	/nfs/dbraw/zinc/70/65/74/680706574.db2.gz	WLWYBTBCNQKDSN-UHFFFAOYSA-N	1	1	364.877	2.243	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl	ZINC000838623204	680706824	/nfs/dbraw/zinc/70/68/24/680706824.db2.gz	UYODEWNIHQPTCR-LRDDRELGSA-N	1	1	355.841	2.155	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000652588449	677494865	/nfs/dbraw/zinc/49/48/65/677494865.db2.gz	JYQJHMYRFRSDFF-KURKYZTESA-N	1	1	361.511	2.247	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000652588449	677494867	/nfs/dbraw/zinc/49/48/67/677494867.db2.gz	JYQJHMYRFRSDFF-KURKYZTESA-N	1	1	361.511	2.247	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cc(Cl)c(O)c(OCC)c2)CC1	ZINC000838801657	680720156	/nfs/dbraw/zinc/72/01/56/680720156.db2.gz	IRUBMQNKZOAQDU-UHFFFAOYSA-N	1	1	350.846	2.406	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)[C@@H](C)COC	ZINC000661243350	678457400	/nfs/dbraw/zinc/45/74/00/678457400.db2.gz	JKNAEMAHNKBBLO-MAUKXSAKSA-N	1	1	350.434	2.249	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)[C@@H](C)COC	ZINC000661243350	678457403	/nfs/dbraw/zinc/45/74/03/678457403.db2.gz	JKNAEMAHNKBBLO-MAUKXSAKSA-N	1	1	350.434	2.249	20	30		FEEDMO
C=CC[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1	ZINC000661379523	678472461	/nfs/dbraw/zinc/47/24/61/678472461.db2.gz	CYZURMQJIWCQPQ-ZDUSSCGKSA-N	1	1	351.397	2.308	20	30		FEEDMO
CCOCCC[N@H+]1CCC(=NNS(=O)(=O)c2ccc(F)cc2)[C@H](C)C1	ZINC000764721690	680819566	/nfs/dbraw/zinc/81/95/66/680819566.db2.gz	QXTDQPXCDDSMGM-CQSZACIVSA-N	1	1	371.478	2.228	20	30		FEEDMO
CC(=NNCCOCC(F)(F)F)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000765594722	680847780	/nfs/dbraw/zinc/84/77/80/680847780.db2.gz	YLDNGPLZNNESGS-INIZCTEOSA-N	1	1	359.392	2.432	20	30		FEEDMO
CC(=NNCCOCC(F)(F)F)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000765594722	680847781	/nfs/dbraw/zinc/84/77/81/680847781.db2.gz	YLDNGPLZNNESGS-INIZCTEOSA-N	1	1	359.392	2.432	20	30		FEEDMO
COC(=O)C1(C#N)CC[NH+](C[C@@H](O)COc2cc(C)ccc2Cl)CC1	ZINC000831699795	680028050	/nfs/dbraw/zinc/02/80/50/680028050.db2.gz	WBRVFRFAENVLFI-CQSZACIVSA-N	1	1	366.845	2.167	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1	ZINC001015819676	680052381	/nfs/dbraw/zinc/05/23/81/680052381.db2.gz	NYKWDUASNCKEEF-ULQDDVLXSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001015819676	680052392	/nfs/dbraw/zinc/05/23/92/680052392.db2.gz	NYKWDUASNCKEEF-ULQDDVLXSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCOCC2)C1	ZINC001015829243	680053075	/nfs/dbraw/zinc/05/30/75/680053075.db2.gz	PDOCWKKFSXYGJL-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCOCC2)C1	ZINC001017212365	680073304	/nfs/dbraw/zinc/07/33/04/680073304.db2.gz	KEXIWDSMEFIRSB-QRVBRYPASA-N	1	1	350.503	2.175	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(CCC)s2)C1	ZINC001018865273	680084142	/nfs/dbraw/zinc/08/41/42/680084142.db2.gz	HBPUTKAWOAFTDK-ZNMIVQPWSA-N	1	1	364.515	2.162	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCOCC2)CC1(C)C	ZINC000977311077	680159996	/nfs/dbraw/zinc/15/99/96/680159996.db2.gz	BQTRFGLBPWITCO-KSZLIROESA-N	1	1	350.503	2.221	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)ns3)C[C@H]21	ZINC000978170521	680170563	/nfs/dbraw/zinc/17/05/63/680170563.db2.gz	WQTNERGYMZMYTC-DZVNLGKHSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCOC2CCC2)C1	ZINC001023642940	680268675	/nfs/dbraw/zinc/26/86/75/680268675.db2.gz	KSPVGSZXCFAEPJ-NEWSRXKRSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](CC[C@@H]2CCCO2)CC1	ZINC000982135065	680270427	/nfs/dbraw/zinc/27/04/27/680270427.db2.gz	PIXGWSFJRGPKEQ-FHWLQOOXSA-N	1	1	350.503	2.461	20	30		FEEDMO
C[NH+]1CCN(N=Cc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)CC1	ZINC000834913814	680281943	/nfs/dbraw/zinc/28/19/43/680281943.db2.gz	FVZGPAPCGDIYQY-UHFFFAOYSA-N	1	1	365.503	2.018	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]21	ZINC001025791276	680338464	/nfs/dbraw/zinc/33/84/64/680338464.db2.gz	JMLGBFYUPSUDHL-FFRIZKCHSA-N	1	1	354.441	2.449	20	30		FEEDMO
CC(C)[N@@H+]1CC(N=Nc2ccc(S(=O)(=O)NC3CC3)cc2)[C@H](C)C1	ZINC000754256671	680345646	/nfs/dbraw/zinc/34/56/46/680345646.db2.gz	DBFRNZMAFAOMBV-CYBMUJFWSA-N	1	1	350.488	2.255	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)s1	ZINC001028606136	680379231	/nfs/dbraw/zinc/37/92/31/680379231.db2.gz	MIFXKAIOGPXKGY-APHBMKBZSA-N	1	1	355.467	2.085	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)s1	ZINC001028606136	680379236	/nfs/dbraw/zinc/37/92/36/680379236.db2.gz	MIFXKAIOGPXKGY-APHBMKBZSA-N	1	1	355.467	2.085	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)s1	ZINC001028606136	680379241	/nfs/dbraw/zinc/37/92/41/680379241.db2.gz	MIFXKAIOGPXKGY-APHBMKBZSA-N	1	1	355.467	2.085	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2csnc2OC)C1	ZINC001028861217	680386038	/nfs/dbraw/zinc/38/60/38/680386038.db2.gz	NGWDICGEWCDIQZ-KBMXLJTQSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2csnc2OC)C1	ZINC001028861217	680386045	/nfs/dbraw/zinc/38/60/45/680386045.db2.gz	NGWDICGEWCDIQZ-KBMXLJTQSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C#N)s2)C1	ZINC001029847932	680393675	/nfs/dbraw/zinc/39/36/75/680393675.db2.gz	YKKYRUUNZVBOHT-QGTPRVQTSA-N	1	1	359.495	2.491	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](C)C[C@H]2CCCOC2)CC1	ZINC001029998594	680396332	/nfs/dbraw/zinc/39/63/32/680396332.db2.gz	YQXXEFKMAIQYCE-QRVBRYPASA-N	1	1	350.503	2.175	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(CC)s2)C1	ZINC000999194199	680398616	/nfs/dbraw/zinc/39/86/16/680398616.db2.gz	MSJMFTLITPGRFN-KFWWJZLASA-N	1	1	364.515	2.162	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C(C)C)s2)C1	ZINC000999431203	680403247	/nfs/dbraw/zinc/40/32/47/680403247.db2.gz	OTSCHKKHLBRCPF-CVSAEHQPSA-N	1	1	364.515	2.332	20	30		FEEDMO
C=CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccsc3)nn2)C1	ZINC000999998503	680416371	/nfs/dbraw/zinc/41/63/71/680416371.db2.gz	TVABIJHHLSAVQY-YESZJQIVSA-N	1	1	357.483	2.192	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCc1ccc(OC(F)(F)F)cc1	ZINC000836223916	680437512	/nfs/dbraw/zinc/43/75/12/680437512.db2.gz	ZDGCXTQVRKXNAP-UHFFFAOYSA-N	1	1	357.376	2.382	20	30		FEEDMO
C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001000837632	680440974	/nfs/dbraw/zinc/44/09/74/680440974.db2.gz	OSZHUJPLMQKJJJ-CABCVRRESA-N	1	1	362.392	2.047	20	30		FEEDMO
C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1	ZINC001035483302	680447471	/nfs/dbraw/zinc/44/74/71/680447471.db2.gz	COQOEPIPKRVVJN-MGPQQGTHSA-N	1	1	352.887	2.345	20	30		FEEDMO
C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1	ZINC001035483302	680447472	/nfs/dbraw/zinc/44/74/72/680447472.db2.gz	COQOEPIPKRVVJN-MGPQQGTHSA-N	1	1	352.887	2.345	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1	ZINC000836376668	680459961	/nfs/dbraw/zinc/45/99/61/680459961.db2.gz	INTGIFBTYDIANM-QZTJIDSGSA-N	1	1	362.905	2.340	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)C[C@@H]2CC(C)(C)CO2)CC1	ZINC000985662379	680467827	/nfs/dbraw/zinc/46/78/27/680467827.db2.gz	STIYJBQHEJCWKF-KSZLIROESA-N	1	1	350.503	2.315	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)CC[C@@H]2CCCCO2)CC1	ZINC000985661607	680467893	/nfs/dbraw/zinc/46/78/93/680467893.db2.gz	OTPAAETYMMADBA-OTWHNJEPSA-N	1	1	350.503	2.460	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@@H](c2ccc(F)cc2F)C1	ZINC000836490041	680476519	/nfs/dbraw/zinc/47/65/19/680476519.db2.gz	DBIWURGSICVZAI-QGZVFWFLSA-N	1	1	351.397	2.003	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1COC(=O)CSCC(=O)Nc1ccc(C)cc1	ZINC000756551023	680484640	/nfs/dbraw/zinc/48/46/40/680484640.db2.gz	FVRXAGBZKFQDLV-KRWDZBQOSA-N	1	1	360.479	2.308	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)CSCC(=O)Nc1ccc(C)cc1	ZINC000756551023	680484643	/nfs/dbraw/zinc/48/46/43/680484643.db2.gz	FVRXAGBZKFQDLV-KRWDZBQOSA-N	1	1	360.479	2.308	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(=C)Br)C2)C1	ZINC001041696830	680508951	/nfs/dbraw/zinc/50/89/51/680508951.db2.gz	WTXWIULMMOTVSS-HLLBOEOZSA-N	1	1	369.303	2.411	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(=C)Br)C2)C1	ZINC001041696830	680508953	/nfs/dbraw/zinc/50/89/53/680508953.db2.gz	WTXWIULMMOTVSS-HLLBOEOZSA-N	1	1	369.303	2.411	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)CC1	ZINC001003055397	680519644	/nfs/dbraw/zinc/51/96/44/680519644.db2.gz	HAEIJKRMHYLMKX-SJORKVTESA-N	1	1	366.893	2.221	20	30		FEEDMO
C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C	ZINC001042510471	680533516	/nfs/dbraw/zinc/53/35/16/680533516.db2.gz	LFLZMVJJNAFTJU-NTZNESFSSA-N	1	1	367.906	2.093	20	30		FEEDMO
C[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C	ZINC001042633684	680537320	/nfs/dbraw/zinc/53/73/20/680537320.db2.gz	HCCCGXGDPJZSCB-RAIGVLPGSA-N	1	1	367.906	2.093	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1Nc1snc(Cl)c1C#N	ZINC001043517064	680585455	/nfs/dbraw/zinc/58/54/55/680585455.db2.gz	JZAMVIMTSPVKQA-DMDPSCGWSA-N	1	1	367.906	2.269	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1Nc1ncc(C#N)cc1Cl	ZINC001043564484	680588044	/nfs/dbraw/zinc/58/80/44/680588044.db2.gz	KYPWQUJYAGXQED-ZNEHSRBWSA-N	1	1	361.877	2.206	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@@H](OC)C2CCC2)C1	ZINC001044029270	680606285	/nfs/dbraw/zinc/60/62/85/680606285.db2.gz	BKUVLNPGKGVHQC-OTWHNJEPSA-N	1	1	350.503	2.315	20	30		FEEDMO
C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2nc(Cl)c(C#N)s2)C1	ZINC001045498394	680632146	/nfs/dbraw/zinc/63/21/46/680632146.db2.gz	XRJJROAMMSCGRY-QJPTWQEYSA-N	1	1	367.906	2.459	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(Cl)n1	ZINC001046162617	680644443	/nfs/dbraw/zinc/64/44/43/680644443.db2.gz	WNEFIRHXJYXAIU-KFWWJZLASA-N	1	1	361.877	2.067	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1cncc(Cl)n1	ZINC001046162617	680644445	/nfs/dbraw/zinc/64/44/45/680644445.db2.gz	WNEFIRHXJYXAIU-KFWWJZLASA-N	1	1	361.877	2.067	20	30		FEEDMO
C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1	ZINC001046957837	680654742	/nfs/dbraw/zinc/65/47/42/680654742.db2.gz	JOLDFPSABJRDFK-RRFJBIMHSA-N	1	1	352.429	2.173	20	30		FEEDMO
OC[C@H]1CCCN1[NH+]=Cc1ccc(Br)cc1N1CCOCC1	ZINC000841658265	680905028	/nfs/dbraw/zinc/90/50/28/680905028.db2.gz	ZRORYASMADBBQV-OAHLLOKOSA-N	1	1	368.275	2.076	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1csc(C(C)C)n1	ZINC000768767855	680957471	/nfs/dbraw/zinc/95/74/71/680957471.db2.gz	MVNOQQLZEGKZKW-UHFFFAOYSA-N	1	1	369.560	2.177	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc([C@H](C)n3cc(Br)cn3)no2)CC1	ZINC000843028039	680983570	/nfs/dbraw/zinc/98/35/70/680983570.db2.gz	HLHYKYVSZAERMT-NSHDSACASA-N	1	1	364.247	2.451	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ncc(C#N)cc2Cl)cn1	ZINC000769491878	680984874	/nfs/dbraw/zinc/98/48/74/680984874.db2.gz	RSSLOCZGDHULMU-UHFFFAOYSA-N	1	1	352.785	2.426	20	30		FEEDMO
C#CCNC(=O)CN1CC[NH+](Cc2ccc(-c3ccsc3)cc2)CC1	ZINC000769733739	680993132	/nfs/dbraw/zinc/99/31/32/680993132.db2.gz	SPWDCJOLJGZCMA-UHFFFAOYSA-N	1	1	353.491	2.282	20	30		FEEDMO
CC[NH+](CC)CC#C[C@H](C)OC(=O)C1(S(=O)(=O)c2ccccc2)CC1	ZINC000770800942	681027842	/nfs/dbraw/zinc/02/78/42/681027842.db2.gz	DNYOFAIRUUBZEQ-INIZCTEOSA-N	1	1	363.479	2.270	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1c1snc(Cl)c1C#N	ZINC001050454636	681048358	/nfs/dbraw/zinc/04/83/58/681048358.db2.gz	MIYXONQCQVSQCF-WZRBSPASSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC001052785965	681086198	/nfs/dbraw/zinc/08/61/98/681086198.db2.gz	MYKVXMRDQKIDRH-BRWVUGGUSA-N	1	1	366.893	2.011	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)c3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001057052909	681158513	/nfs/dbraw/zinc/15/85/13/681158513.db2.gz	RZNQVBWWHPNQDA-GRYCIOLGSA-N	1	1	367.906	2.045	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001059096845	681178626	/nfs/dbraw/zinc/17/86/26/681178626.db2.gz	PZOJDGKTONWXKK-OUAUKWLOSA-N	1	1	353.879	2.021	20	30		FEEDMO
CCS(=O)(=O)c1c(Cl)cccc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1	ZINC000774393265	681182863	/nfs/dbraw/zinc/18/28/63/681182863.db2.gz	JILDPUCXBKVOTQ-KBPBESRZSA-N	1	1	368.890	2.328	20	30		FEEDMO
CC(C)[N@H+](CCN(C)C(=O)OC(C)(C)C)CC(=O)NC1(C#N)CCC1	ZINC000932409870	681243587	/nfs/dbraw/zinc/24/35/87/681243587.db2.gz	XLUFAYKTQLUROF-UHFFFAOYSA-N	1	1	352.479	2.126	20	30		FEEDMO
CC(C)[N@@H+](CCN(C)C(=O)OC(C)(C)C)CC(=O)NC1(C#N)CCC1	ZINC000932409870	681243593	/nfs/dbraw/zinc/24/35/93/681243593.db2.gz	XLUFAYKTQLUROF-UHFFFAOYSA-N	1	1	352.479	2.126	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c(OC(F)F)c1	ZINC000932781608	681309310	/nfs/dbraw/zinc/30/93/10/681309310.db2.gz	WGUOMXVWOFCUAB-AWEZNQCLSA-N	1	1	351.353	2.480	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@H]1CCCO1	ZINC000775794942	681335796	/nfs/dbraw/zinc/33/57/96/681335796.db2.gz	UDNNVCWTEOASHB-HZPDHXFCSA-N	1	1	354.372	2.348	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCCO1	ZINC000775796250	681336220	/nfs/dbraw/zinc/33/62/20/681336220.db2.gz	UJUFHWONDBBGIX-OLZOCXBDSA-N	1	1	373.197	2.436	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1ccccc1C(F)(F)F	ZINC000933244820	681379916	/nfs/dbraw/zinc/37/99/16/681379916.db2.gz	CIJIJDNISYETIL-WFASDCNBSA-N	1	1	357.376	2.337	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000776592233	681412612	/nfs/dbraw/zinc/41/26/12/681412612.db2.gz	CWFTXBDQRKBNNT-AWEZNQCLSA-N	1	1	356.495	2.076	20	30		FEEDMO
N#CCOc1ccc(Cl)cc1C[NH+]1CCC(CN2CCNC2=O)CC1	ZINC000933588007	681438084	/nfs/dbraw/zinc/43/80/84/681438084.db2.gz	DZNFBNUKSDFNOK-UHFFFAOYSA-N	1	1	362.861	2.480	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)Cc1cccc(Br)c1C	ZINC000848456539	681549351	/nfs/dbraw/zinc/54/93/51/681549351.db2.gz	IASWSKCXWCXAHS-UHFFFAOYSA-N	1	1	373.316	2.132	20	30		FEEDMO
N#CCSCCC[N@@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O	ZINC000934785891	681633778	/nfs/dbraw/zinc/63/37/78/681633778.db2.gz	LGULWPZEPMKGGV-VXGBXAGGSA-N	1	1	356.435	2.075	20	30		FEEDMO
N#CCSCCC[N@H+]1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O	ZINC000934785891	681633782	/nfs/dbraw/zinc/63/37/82/681633782.db2.gz	LGULWPZEPMKGGV-VXGBXAGGSA-N	1	1	356.435	2.075	20	30		FEEDMO
NC(=[NH2+])NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000915050705	685511553	/nfs/dbraw/zinc/51/15/53/685511553.db2.gz	GAJVSOBMJHZYSY-UHFFFAOYSA-N	1	1	352.148	2.434	20	30		FEEDMO
C=CCSCCNC(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000915205026	685513056	/nfs/dbraw/zinc/51/30/56/685513056.db2.gz	LFKOWYMYVCNRJS-YFHUEUNASA-N	1	1	355.548	2.075	20	30		FEEDMO
C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)C1	ZINC000941408728	682124419	/nfs/dbraw/zinc/12/44/19/682124419.db2.gz	RIVNPIANKHPWEZ-QZTJIDSGSA-N	1	1	357.523	2.012	20	30		FEEDMO
C#CC[N@@H+](C[C@H]1CNC(=O)C1)[C@H]1CCOc2ccc(Br)cc21	ZINC000851771342	682129248	/nfs/dbraw/zinc/12/92/48/682129248.db2.gz	BVXHERIATLWLEV-DOMZBBRYSA-N	1	1	363.255	2.344	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@@H]2C1	ZINC000916661777	685526789	/nfs/dbraw/zinc/52/67/89/685526789.db2.gz	DLSSSIMTLXHVDO-YPMHNXCESA-N	1	1	373.400	2.149	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)c(Br)c1	ZINC000784456709	682228668	/nfs/dbraw/zinc/22/86/68/682228668.db2.gz	IFWMFIMOLPUVIP-UHFFFAOYSA-N	1	1	350.216	2.395	20	30		FEEDMO
C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000968964920	682252139	/nfs/dbraw/zinc/25/21/39/682252139.db2.gz	BCHFOWMUKUMJBQ-CADBVGFASA-N	1	1	350.503	2.365	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307790	682257179	/nfs/dbraw/zinc/25/71/79/682257179.db2.gz	IHIKTHCMGRWNQA-AWEZNQCLSA-N	1	1	354.495	2.230	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307790	682257184	/nfs/dbraw/zinc/25/71/84/682257184.db2.gz	IHIKTHCMGRWNQA-AWEZNQCLSA-N	1	1	354.495	2.230	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCOCC2)C1	ZINC000972512383	682417947	/nfs/dbraw/zinc/41/79/47/682417947.db2.gz	CLZHSVGWIGAKFM-QYZOEREBSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCCF)CCO2	ZINC000972591375	682424917	/nfs/dbraw/zinc/42/49/17/682424917.db2.gz	BBKMNJHOONPFQK-LNLFQRSKSA-N	1	1	354.466	2.021	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCCF)CCO2	ZINC000972591375	682424918	/nfs/dbraw/zinc/42/49/18/682424918.db2.gz	BBKMNJHOONPFQK-LNLFQRSKSA-N	1	1	354.466	2.021	20	30		FEEDMO
C#CCC[N@H+](CCOC)Cn1nc(Br)c(=O)c2ccccc21	ZINC000853620981	682446634	/nfs/dbraw/zinc/44/66/34/682446634.db2.gz	LVGFOMWSZODWKT-UHFFFAOYSA-N	1	1	364.243	2.088	20	30		FEEDMO
O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000790542529	682684622	/nfs/dbraw/zinc/68/46/22/682684622.db2.gz	KAGJBNHEFPQBQG-HZPDHXFCSA-N	1	1	352.356	2.036	20	30		FEEDMO
C=C[C@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000792488688	682815032	/nfs/dbraw/zinc/81/50/32/682815032.db2.gz	BVFJISVZFQIFGT-INIZCTEOSA-N	1	1	351.491	2.496	20	30		FEEDMO
C#CC(C)(C)[N@@H+](C)Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1	ZINC000794575549	682980783	/nfs/dbraw/zinc/98/07/83/682980783.db2.gz	ZLWQFJCLDMMJMI-UHFFFAOYSA-N	1	1	362.499	2.437	20	30		FEEDMO
C#CC(C)(C)[N@H+](C)Cc1nc2cc(S(=O)(=O)N(CC)CC)ccc2[nH]1	ZINC000794575549	682980784	/nfs/dbraw/zinc/98/07/84/682980784.db2.gz	ZLWQFJCLDMMJMI-UHFFFAOYSA-N	1	1	362.499	2.437	20	30		FEEDMO
C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CC(C)(C)OC1=O	ZINC000795674646	683079510	/nfs/dbraw/zinc/07/95/10/683079510.db2.gz	DLFWGRSKVLXZPF-ZDUSSCGKSA-N	1	1	361.467	2.463	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CC(C)(C)OC1=O	ZINC000795674646	683079512	/nfs/dbraw/zinc/07/95/12/683079512.db2.gz	DLFWGRSKVLXZPF-ZDUSSCGKSA-N	1	1	361.467	2.463	20	30		FEEDMO
C[C@H](C[N@H+](C)CC(=O)NC1(C#N)CCCCC1)NC(=O)OC(C)(C)C	ZINC000860093089	683200866	/nfs/dbraw/zinc/20/08/66/683200866.db2.gz	RGSINTMXHCPVEB-CQSZACIVSA-N	1	1	352.479	2.174	20	30		FEEDMO
C[C@H](C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1)NC(=O)OC(C)(C)C	ZINC000860093089	683200867	/nfs/dbraw/zinc/20/08/67/683200867.db2.gz	RGSINTMXHCPVEB-CQSZACIVSA-N	1	1	352.479	2.174	20	30		FEEDMO
C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(C)cc2Br)CC1	ZINC000921440152	683468906	/nfs/dbraw/zinc/46/89/06/683468906.db2.gz	SNQCOBHOXFCARN-UHFFFAOYSA-N	1	1	371.300	2.133	20	30		FEEDMO
C#CC[NH+]1CCC(NC(=O)CCC(=O)CCC(=O)c2cccs2)CC1	ZINC000928657296	683482984	/nfs/dbraw/zinc/48/29/84/683482984.db2.gz	VRZPKHJKWUQSND-UHFFFAOYSA-N	1	1	360.479	2.274	20	30		FEEDMO
N#Cc1ccc(Br)c(C[NH2+]CCS(=O)(=O)CC2CC2)c1	ZINC000921862529	683598626	/nfs/dbraw/zinc/59/86/26/683598626.db2.gz	RYSUCOHBMBNLFZ-UHFFFAOYSA-N	1	1	357.273	2.235	20	30		FEEDMO
CC#CC[N@@H+](C)C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000930588644	683756112	/nfs/dbraw/zinc/75/61/12/683756112.db2.gz	IHXOATWTJWYAMT-INIZCTEOSA-N	1	1	354.372	2.122	20	30		FEEDMO
C#CC1(O)CC[NH+](Cc2cc(C(=O)OC)ccc2Br)CC1	ZINC000931153100	683842231	/nfs/dbraw/zinc/84/22/31/683842231.db2.gz	BLHYGDLSLFRGFB-UHFFFAOYSA-N	1	1	352.228	2.196	20	30		FEEDMO
N#Cc1cccc(Br)c1N1CCC([N@H+]2CC[C@H](O)C2)CC1	ZINC000865957021	684051771	/nfs/dbraw/zinc/05/17/71/684051771.db2.gz	SERRNCYQICJSKQ-AWEZNQCLSA-N	1	1	350.260	2.356	20	30		FEEDMO
N#Cc1cccc(Br)c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1	ZINC000865957022	684051781	/nfs/dbraw/zinc/05/17/81/684051781.db2.gz	SERRNCYQICJSKQ-CQSZACIVSA-N	1	1	350.260	2.356	20	30		FEEDMO
C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)CC1([NH+](C)C)CC1	ZINC000866674149	684132504	/nfs/dbraw/zinc/13/25/04/684132504.db2.gz	SROYKMOYULUZNY-UHFFFAOYSA-N	1	1	353.440	2.039	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc3onc(Cl)c3c2)CC1	ZINC000866744451	684143938	/nfs/dbraw/zinc/14/39/38/684143938.db2.gz	KZGIANWVFBEQSE-UHFFFAOYSA-N	1	1	355.847	2.410	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn(C(C)(C)C)nc2Br)C1	ZINC000923564359	684306191	/nfs/dbraw/zinc/30/61/91/684306191.db2.gz	XAMJSUQAOLFSNQ-GFCCVEGCSA-N	1	1	367.291	2.228	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cn(C(C)(C)C)nc2Br)C1	ZINC000923564359	684306196	/nfs/dbraw/zinc/30/61/96/684306196.db2.gz	XAMJSUQAOLFSNQ-GFCCVEGCSA-N	1	1	367.291	2.228	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)CCCCN(C)C(=O)OC(C)(C)C)C1	ZINC000923598557	684311855	/nfs/dbraw/zinc/31/18/55/684311855.db2.gz	VWSAHDUDZIAUNI-INIZCTEOSA-N	1	1	351.491	2.237	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)CCCCN(C)C(=O)OC(C)(C)C)C1	ZINC000923598557	684311862	/nfs/dbraw/zinc/31/18/62/684311862.db2.gz	VWSAHDUDZIAUNI-INIZCTEOSA-N	1	1	351.491	2.237	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc3sc(=O)n(C)c3cc2C)C1	ZINC000931906631	684367761	/nfs/dbraw/zinc/36/77/61/684367761.db2.gz	XCABSUXRQZVZMR-CYBMUJFWSA-N	1	1	358.467	2.128	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc3sc(=O)n(C)c3cc2C)C1	ZINC000931906631	684367767	/nfs/dbraw/zinc/36/77/67/684367767.db2.gz	XCABSUXRQZVZMR-CYBMUJFWSA-N	1	1	358.467	2.128	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCS[C@H](C(F)(F)F)C2)cc1	ZINC000932075017	684402312	/nfs/dbraw/zinc/40/23/12/684402312.db2.gz	KHJNPHPWSRYTJP-ZFWWWQNUSA-N	1	1	360.401	2.472	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCS[C@H](C(F)(F)F)C2)cc1	ZINC000932075017	684402318	/nfs/dbraw/zinc/40/23/18/684402318.db2.gz	KHJNPHPWSRYTJP-ZFWWWQNUSA-N	1	1	360.401	2.472	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Cc1csc(COc2ccccc2)n1	ZINC000868582228	684513775	/nfs/dbraw/zinc/51/37/75/684513775.db2.gz	WOCPGRWKZNXWQB-UHFFFAOYSA-N	1	1	357.479	2.336	20	30		FEEDMO
C[N@H+](CC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)[C@H]1CCSC1	ZINC000871182752	684795388	/nfs/dbraw/zinc/79/53/88/684795388.db2.gz	IECYCRRVSMEIRJ-KRWDZBQOSA-N	1	1	355.467	2.179	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)[C@H]1CCSC1	ZINC000871182752	684795391	/nfs/dbraw/zinc/79/53/91/684795391.db2.gz	IECYCRRVSMEIRJ-KRWDZBQOSA-N	1	1	355.467	2.179	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)Nc1cc2n(n1)CC[N@@H+](C)C2	ZINC000871928652	684884436	/nfs/dbraw/zinc/88/44/36/684884436.db2.gz	IHWCAHKDSSHELM-AWEZNQCLSA-N	1	1	359.499	2.405	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(OCC(=O)N(C)C)cc2)no1	ZINC000872177100	684924567	/nfs/dbraw/zinc/92/45/67/684924567.db2.gz	BDEJXBUHEHFOEJ-CYBMUJFWSA-N	1	1	350.806	2.346	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1	ZINC000876709279	686249714	/nfs/dbraw/zinc/24/97/14/686249714.db2.gz	NYODVIVEZBDYDY-IAGOWNOFSA-N	1	1	351.878	2.418	20	30		FEEDMO
CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000877436480	686376735	/nfs/dbraw/zinc/37/67/35/686376735.db2.gz	TVNQYPWGCSLYBN-ZDUSSCGKSA-N	1	1	354.376	2.125	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc1	ZINC000877814754	686469613	/nfs/dbraw/zinc/46/96/13/686469613.db2.gz	GCYIYHOEQPEKIF-KDURUIRLSA-N	1	1	361.511	2.293	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc1	ZINC000877814754	686469618	/nfs/dbraw/zinc/46/96/18/686469618.db2.gz	GCYIYHOEQPEKIF-KDURUIRLSA-N	1	1	361.511	2.293	20	30		FEEDMO
CC(C)(O)C[C@H](O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000878536467	686604125	/nfs/dbraw/zinc/60/41/25/686604125.db2.gz	XPPZQPYYOLKXKV-IRXDYDNUSA-N	1	1	351.878	2.044	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CC1CC1)[C@H](C(N)=O)C1CC1	ZINC000879489934	686835746	/nfs/dbraw/zinc/83/57/46/686835746.db2.gz	SVNAJKXGCABAGU-KRWDZBQOSA-N	1	1	360.845	2.126	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CC1CC1)[C@H](C(N)=O)C1CC1	ZINC000879489934	686835752	/nfs/dbraw/zinc/83/57/52/686835752.db2.gz	SVNAJKXGCABAGU-KRWDZBQOSA-N	1	1	360.845	2.126	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1	ZINC000880050402	686986609	/nfs/dbraw/zinc/98/66/09/686986609.db2.gz	BYTCEURTIANHDH-XNRPHZJLSA-N	1	1	358.360	2.340	20	30		FEEDMO
CO[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000880301676	687029476	/nfs/dbraw/zinc/02/94/76/687029476.db2.gz	WPYVZSAQSWVICQ-ZBFHGGJFSA-N	1	1	358.360	2.146	20	30		FEEDMO
CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000880301673	687029599	/nfs/dbraw/zinc/02/95/99/687029599.db2.gz	WPYVZSAQSWVICQ-GDBMZVCRSA-N	1	1	358.360	2.146	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1	ZINC000880311259	687032240	/nfs/dbraw/zinc/03/22/40/687032240.db2.gz	YYYLMEPJRLETNT-OIISXLGYSA-N	1	1	361.511	2.061	20	30		FEEDMO
C[N@@H+](CCCO)C1CCN(C(=O)Nc2cc(C#N)c(F)cc2F)CC1	ZINC000880715871	687077870	/nfs/dbraw/zinc/07/78/70/687077870.db2.gz	INIJUQUKOROQDS-UHFFFAOYSA-N	1	1	352.385	2.147	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccccc1N1CCC[C@@H](c2[nH+]ccn2C)C1	ZINC000882271326	687339617	/nfs/dbraw/zinc/33/96/17/687339617.db2.gz	SUYAUHLEIXSPPJ-OAHLLOKOSA-N	1	1	360.483	2.268	20	30		FEEDMO
N#Cc1cnc(N2CCC([N@H+]3CCCOCC3)CC2)c(Br)c1	ZINC000882446538	687367977	/nfs/dbraw/zinc/36/79/77/687367977.db2.gz	FGCVLYMEAKMNKX-UHFFFAOYSA-N	1	1	365.275	2.407	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(C(=O)Nc3ccc(Br)c(C#N)n3)CC[C@H]21	ZINC000883121964	687571915	/nfs/dbraw/zinc/57/19/15/687571915.db2.gz	WMQTYZVMJWCXGC-GXFFZTMASA-N	1	1	364.247	2.274	20	30		FEEDMO
C#CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427354	688253787	/nfs/dbraw/zinc/25/37/87/688253787.db2.gz	HXAZQSPJNMVBEM-OAHLLOKOSA-N	1	1	372.531	2.002	20	30		FEEDMO
C#CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427354	688253789	/nfs/dbraw/zinc/25/37/89/688253789.db2.gz	HXAZQSPJNMVBEM-OAHLLOKOSA-N	1	1	372.531	2.002	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)[NH+]1CCOCC1	ZINC000888406505	688605523	/nfs/dbraw/zinc/60/55/23/688605523.db2.gz	CGCCCEGDCGOKBJ-SNVBAGLBSA-N	1	1	357.867	2.146	20	30		FEEDMO
CC(C)[C@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)[NH+]1CCOCC1	ZINC000888406504	688605670	/nfs/dbraw/zinc/60/56/70/688605670.db2.gz	CGCCCEGDCGOKBJ-JTQLQIEISA-N	1	1	357.867	2.146	20	30		FEEDMO
Cc1c(C(=O)N2CC[NH+](CCc3cccs3)CC2)cnn1CCC#N	ZINC000895859382	689783125	/nfs/dbraw/zinc/78/31/25/689783125.db2.gz	QSDFYWUPJNCZAR-UHFFFAOYSA-N	1	1	357.483	2.167	20	30		FEEDMO
C[C@@H]1CN(C(=O)NCc2nc(C#N)cs2)CC[N@@H+]1Cc1ccccc1	ZINC000897273566	689998538	/nfs/dbraw/zinc/99/85/38/689998538.db2.gz	SEVKUUXOSBIFFR-CQSZACIVSA-N	1	1	355.467	2.431	20	30		FEEDMO
C[C@@H]1CN(C(=O)NCc2nc(C#N)cs2)CC[N@H+]1Cc1ccccc1	ZINC000897273566	689998542	/nfs/dbraw/zinc/99/85/42/689998542.db2.gz	SEVKUUXOSBIFFR-CQSZACIVSA-N	1	1	355.467	2.431	20	30		FEEDMO
C[C@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cc(C#N)ccn1	ZINC000902989900	690828076	/nfs/dbraw/zinc/82/80/76/690828076.db2.gz	NNVMIMFTYHCHLB-HOCLYGCPSA-N	1	1	356.451	2.067	20	30		FEEDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncnc(Cl)c1C#N)CC2	ZINC001164645945	719308505	/nfs/dbraw/zinc/30/85/05/719308505.db2.gz	AJLSZUNZCAATOK-UHFFFAOYSA-N	1	1	359.865	2.403	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@H]21	ZINC001164668055	719397089	/nfs/dbraw/zinc/39/70/89/719397089.db2.gz	PTBRLYDUCJUUOZ-SJORKVTESA-N	1	1	373.819	2.327	20	30		FEEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C(C)C)ccc1C#N)CC2	ZINC001164682132	719702326	/nfs/dbraw/zinc/70/23/26/719702326.db2.gz	BGYCGVXKWUECIN-UHFFFAOYSA-N	1	1	355.486	2.257	20	30		FEEDMO
Cc1ccc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc1C#N	ZINC001164813438	720222086	/nfs/dbraw/zinc/22/20/86/720222086.db2.gz	MDJFOZIQGBCMPZ-UHFFFAOYSA-N	1	1	366.469	2.069	20	30		FEEDMO
N#Cc1ccc2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1	ZINC001164741595	720676726	/nfs/dbraw/zinc/67/67/26/720676726.db2.gz	UHRUFVVHCAJLGU-ROUUACIJSA-N	1	1	372.432	2.238	20	30		FEEDMO
N#Cc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl	ZINC001164870868	721053963	/nfs/dbraw/zinc/05/39/63/721053963.db2.gz	WZIHLMPZWWJYTI-CVEARBPZSA-N	1	1	369.856	2.481	20	30		FEEDMO
Cc1cc(C#N)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1C	ZINC001164865964	721077025	/nfs/dbraw/zinc/07/70/25/721077025.db2.gz	QLFJPBSOLTZPTQ-VQTJNVASSA-N	1	1	363.465	2.445	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5c(C#N)c[nH]c5n4)C[C@@H]3C2)cn1	ZINC001164773301	721148775	/nfs/dbraw/zinc/14/87/75/721148775.db2.gz	YBPNVZWBYRZPEN-WBVHZDCISA-N	1	1	361.453	2.126	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(CC#N)cc4Cl)C[C@@H]3C2)cn1	ZINC001164774500	721226586	/nfs/dbraw/zinc/22/65/86/721226586.db2.gz	ZYBGWQDHYJPQCH-SJORKVTESA-N	1	1	370.888	2.493	20	30		FEEDMO
Cc1ccnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C#N	ZINC001164884964	721388127	/nfs/dbraw/zinc/38/81/27/721388127.db2.gz	BEQTWEOWAPSUSM-WIYYLYMNSA-N	1	1	369.513	2.027	20	30		FEEDMO
N#Cc1cnc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164898535	721521018	/nfs/dbraw/zinc/52/10/18/721521018.db2.gz	IIOJWRJGVDQDPR-ZBFHGGJFSA-N	1	1	373.819	2.483	20	30		FEEDMO
Cc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(C#N)n1	ZINC001164903345	721538854	/nfs/dbraw/zinc/53/88/54/721538854.db2.gz	CDFBZGAKXSZZTQ-NVXWUHKLSA-N	1	1	353.401	2.138	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C#N)c2F)[C@H]2CCCO[C@H]12	ZINC001164805657	721553583	/nfs/dbraw/zinc/55/35/83/721553583.db2.gz	OITWUJWIVOAJTC-SCTDSRPQSA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C#N)c2F)[C@H]2CCCO[C@H]12	ZINC001164805657	721553587	/nfs/dbraw/zinc/55/35/87/721553587.db2.gz	OITWUJWIVOAJTC-SCTDSRPQSA-N	1	1	367.428	2.356	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1c(C#N)cnc2cnc(Cl)cc21	ZINC001164930455	721852455	/nfs/dbraw/zinc/85/24/55/721852455.db2.gz	SATHLYRYTXCEAJ-IRXDYDNUSA-N	1	1	370.888	2.369	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1c(C#N)cnc2cnc(Cl)cc21	ZINC001164930455	721852457	/nfs/dbraw/zinc/85/24/57/721852457.db2.gz	SATHLYRYTXCEAJ-IRXDYDNUSA-N	1	1	370.888	2.369	20	30		FEEDMO
C[C@@H]1CCN(C(=O)CNc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1	ZINC000502072298	813810023	/nfs/dbraw/zinc/81/00/23/813810023.db2.gz	UATLEGPZCSNDEN-QGZVFWFLSA-N	1	1	363.465	2.488	20	30		FEEDMO
CCOC(=O)CC[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000549221828	674026962	/nfs/dbraw/zinc/02/69/62/674026962.db2.gz	ORPPYYZMVLCWPG-UHFFFAOYSA-N	1	1	351.834	2.472	20	30		FEEDMO
CCOC(=O)CC[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000549221828	674026966	/nfs/dbraw/zinc/02/69/66/674026966.db2.gz	ORPPYYZMVLCWPG-UHFFFAOYSA-N	1	1	351.834	2.472	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(Cc2ccccn2)CC1	ZINC000022012113	539690792	/nfs/dbraw/zinc/69/07/92/539690792.db2.gz	SOBJYVKYLPOXQF-UHFFFAOYSA-N	1	1	355.467	2.161	20	30		FEEDMO
N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1	ZINC000025698416	539766364	/nfs/dbraw/zinc/76/63/64/539766364.db2.gz	AZPBUFCHANDTRO-QUCCMNQESA-N	1	1	369.440	2.448	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1	ZINC000029192093	539845978	/nfs/dbraw/zinc/84/59/78/539845978.db2.gz	UZQZBFVCMNZGMU-OAQYLSRUSA-N	1	1	370.497	2.069	20	30		FEEDMO
Cc1cc(CN2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)on1	ZINC000028892469	539838859	/nfs/dbraw/zinc/83/88/59/539838859.db2.gz	WJQFZYGLRNLUFG-UHFFFAOYSA-N	1	1	353.426	2.001	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@@H](C)c3ccccc3)CC2)o1	ZINC000029717711	539862077	/nfs/dbraw/zinc/86/20/77/539862077.db2.gz	CIQKYMNYCWJJHP-HNNXBMFYSA-N	1	1	367.453	2.196	20	30		FEEDMO
COc1ccc(NC(=O)NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000046527180	540261213	/nfs/dbraw/zinc/26/12/13/540261213.db2.gz	HUJRRZPSJNMAIL-UHFFFAOYSA-N	1	1	352.394	2.347	20	30		FEEDMO
COc1ccc(NC(=O)NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000046527180	540261215	/nfs/dbraw/zinc/26/12/15/540261215.db2.gz	HUJRRZPSJNMAIL-UHFFFAOYSA-N	1	1	352.394	2.347	20	30		FEEDMO
COc1cc(/C=C/C(=O)NCC[N@H+]2CCC[C@@H](C)C2)ccc1OCC#N	ZINC000046861992	540274344	/nfs/dbraw/zinc/27/43/44/540274344.db2.gz	QONRVEWDVYGFKB-IQIBNGDESA-N	1	1	357.454	2.459	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2nnc3n2CCC3)CC1	ZINC000047258792	540299039	/nfs/dbraw/zinc/29/90/39/540299039.db2.gz	XDVNGALBZTUWAT-AWEZNQCLSA-N	1	1	364.453	2.303	20	30		FEEDMO
N#Cc1cccc(CNC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1	ZINC000048978524	540378387	/nfs/dbraw/zinc/37/83/87/540378387.db2.gz	LXTKVTBSUMADFA-UHFFFAOYSA-N	1	1	363.465	2.180	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1	ZINC000050173933	540402541	/nfs/dbraw/zinc/40/25/41/540402541.db2.gz	HWQQQWNTOMYMIR-CQSZACIVSA-N	1	1	372.469	2.132	20	30		FEEDMO
CC(=O)NC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1	ZINC000050990778	540417486	/nfs/dbraw/zinc/41/74/86/540417486.db2.gz	QIHZQKOCPGNSAF-CQSZACIVSA-N	1	1	360.433	2.061	20	30		FEEDMO
CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1	ZINC000051003043	540419540	/nfs/dbraw/zinc/41/95/40/540419540.db2.gz	RENGOLUZWTXKSX-KRWDZBQOSA-N	1	1	356.470	2.171	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1	ZINC000054181440	540573530	/nfs/dbraw/zinc/57/35/30/540573530.db2.gz	HWOCXVCRJXATMD-INIZCTEOSA-N	1	1	363.421	2.242	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c1	ZINC000054181440	540573532	/nfs/dbraw/zinc/57/35/32/540573532.db2.gz	HWOCXVCRJXATMD-INIZCTEOSA-N	1	1	363.421	2.242	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3(C#N)CCCC3)cc2)CC1	ZINC000056027980	540695085	/nfs/dbraw/zinc/69/50/85/540695085.db2.gz	NOKCQEOMXAFBDC-UHFFFAOYSA-N	1	1	354.454	2.026	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH+]1CCOCC1	ZINC000063400039	541167014	/nfs/dbraw/zinc/16/70/14/541167014.db2.gz	DFBVMLKJEMVZKO-UHFFFAOYSA-N	1	1	362.430	2.015	20	30		FEEDMO
CC(C)CN(C(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1)C1CC1	ZINC000064634699	541213977	/nfs/dbraw/zinc/21/39/77/541213977.db2.gz	FDLGJPMBFXJMFW-UHFFFAOYSA-N	1	1	355.486	2.112	20	30		FEEDMO
CC(C)CN(C(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1)C1CC1	ZINC000064634699	541213980	/nfs/dbraw/zinc/21/39/80/541213980.db2.gz	FDLGJPMBFXJMFW-UHFFFAOYSA-N	1	1	355.486	2.112	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCCN(c4nccs4)CC3)C2=O)cc1	ZINC000064401867	541204637	/nfs/dbraw/zinc/20/46/37/541204637.db2.gz	YYGNRGLMAXOPTQ-KRWDZBQOSA-N	1	1	367.478	2.332	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CCCN(c4nccs4)CC3)C2=O)cc1	ZINC000064401867	541204642	/nfs/dbraw/zinc/20/46/42/541204642.db2.gz	YYGNRGLMAXOPTQ-KRWDZBQOSA-N	1	1	367.478	2.332	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)nc1	ZINC000065536155	541243746	/nfs/dbraw/zinc/24/37/46/541243746.db2.gz	WTZVFTFZXPAFDG-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
COc1cc(CNC(=O)CO[NH+]=C(N)CCC(C)C)cc(OC)c1OC	ZINC000066374307	541310482	/nfs/dbraw/zinc/31/04/82/541310482.db2.gz	QINQEMYPWBUZPL-UHFFFAOYSA-N	1	1	367.446	2.054	20	30		FEEDMO
CCCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000066559149	541334889	/nfs/dbraw/zinc/33/48/89/541334889.db2.gz	CWYLNXLNHYWEQT-QGZVFWFLSA-N	1	1	363.483	2.176	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C	ZINC000067345065	541447048	/nfs/dbraw/zinc/44/70/48/541447048.db2.gz	UNLCNXZCOITINF-GJZGRUSLSA-N	1	1	372.469	2.275	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000067414815	541459704	/nfs/dbraw/zinc/45/97/04/541459704.db2.gz	GFXDVJFFPBCVFH-AWEZNQCLSA-N	1	1	374.510	2.285	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2nnc3ccccn32)CC1	ZINC000067443421	541465235	/nfs/dbraw/zinc/46/52/35/541465235.db2.gz	XJPAGIIUYMXNCS-FOIQADDNSA-N	1	1	368.485	2.352	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)[C@H]2C1	ZINC000542839632	541484753	/nfs/dbraw/zinc/48/47/53/541484753.db2.gz	IQTSYVBHWZPNDX-DYVFJYSZSA-N	1	1	368.416	2.441	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000070976306	541755701	/nfs/dbraw/zinc/75/57/01/541755701.db2.gz	KOACMPKWKZSGME-PXNSSMCTSA-N	1	1	359.470	2.428	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000070976306	541755704	/nfs/dbraw/zinc/75/57/04/541755704.db2.gz	KOACMPKWKZSGME-PXNSSMCTSA-N	1	1	359.470	2.428	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](C(=O)NCC4CC4)C3)o2)c1	ZINC000075638461	542194697	/nfs/dbraw/zinc/19/46/97/542194697.db2.gz	BEVVBBYXDNKWIS-KRWDZBQOSA-N	1	1	365.437	2.346	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](C(=O)NCC4CC4)C3)o2)c1	ZINC000075638461	542194701	/nfs/dbraw/zinc/19/47/01/542194701.db2.gz	BEVVBBYXDNKWIS-KRWDZBQOSA-N	1	1	365.437	2.346	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)o2)c1	ZINC000075739224	542201737	/nfs/dbraw/zinc/20/17/37/542201737.db2.gz	NKHVOKDJUDGQSG-QGZVFWFLSA-N	1	1	367.453	2.152	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](CN4CCOCC4)C3)o2)c1	ZINC000075739224	542201740	/nfs/dbraw/zinc/20/17/40/542201740.db2.gz	NKHVOKDJUDGQSG-QGZVFWFLSA-N	1	1	367.453	2.152	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000076084438	542231324	/nfs/dbraw/zinc/23/13/24/542231324.db2.gz	ZTGUIGMYZAUHLE-UHFFFAOYSA-N	1	1	371.485	2.161	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000076084438	542231326	/nfs/dbraw/zinc/23/13/26/542231326.db2.gz	ZTGUIGMYZAUHLE-UHFFFAOYSA-N	1	1	371.485	2.161	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1	ZINC000076394350	542272848	/nfs/dbraw/zinc/27/28/48/542272848.db2.gz	LOWMBLWRCAMPLF-WMZOPIPTSA-N	1	1	360.421	2.007	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1	ZINC000076394350	542272853	/nfs/dbraw/zinc/27/28/53/542272853.db2.gz	LOWMBLWRCAMPLF-WMZOPIPTSA-N	1	1	360.421	2.007	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)CC1	ZINC000077039153	542342645	/nfs/dbraw/zinc/34/26/45/542342645.db2.gz	BDXDAORDORGAJD-UHFFFAOYSA-N	1	1	367.428	2.218	20	30		FEEDMO
COc1cc[nH+]c(N2CCN(CCOc3ccc(C#N)cc3OC)CC2)c1	ZINC000077282565	542361950	/nfs/dbraw/zinc/36/19/50/542361950.db2.gz	DEDABNUBAPBKJU-UHFFFAOYSA-N	1	1	368.437	2.171	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000077373273	542373535	/nfs/dbraw/zinc/37/35/35/542373535.db2.gz	ANLJAVLTSRRCPP-SFHVURJKSA-N	1	1	355.463	2.420	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000077373273	542373538	/nfs/dbraw/zinc/37/35/38/542373538.db2.gz	ANLJAVLTSRRCPP-SFHVURJKSA-N	1	1	355.463	2.420	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC000077468630	542385203	/nfs/dbraw/zinc/38/52/03/542385203.db2.gz	QKVHZNDMVKZGCJ-GJZGRUSLSA-N	1	1	361.515	2.448	20	30		FEEDMO
COCCN(CCC#N)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1	ZINC000078582900	542468915	/nfs/dbraw/zinc/46/89/15/542468915.db2.gz	FJQRSFSLOKWJRI-MRXNPFEDSA-N	1	1	360.458	2.474	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cnn(Cc3ccccc3Cl)c2)CC1	ZINC000080012186	542558307	/nfs/dbraw/zinc/55/83/07/542558307.db2.gz	JDOPRDDMKMLIQR-UHFFFAOYSA-N	1	1	357.845	2.303	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)NC2CCN(CC#N)CC2)CC[N@H+]1Cc1ccccc1	ZINC000080122551	542567519	/nfs/dbraw/zinc/56/75/19/542567519.db2.gz	NPSUCKMPMSUIGM-PXNSSMCTSA-N	1	1	369.513	2.327	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)N2CC[NH+]([C@H]3CCSC3)CC2)cc1	ZINC000080431622	542588673	/nfs/dbraw/zinc/58/86/73/542588673.db2.gz	YXNYQFJELSTBOZ-KRWDZBQOSA-N	1	1	361.536	2.441	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1	ZINC000080432900	542588962	/nfs/dbraw/zinc/58/89/62/542588962.db2.gz	IEBXXJUUDBBWFB-GOSISDBHSA-N	1	1	374.504	2.244	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1	ZINC000081171720	542637468	/nfs/dbraw/zinc/63/74/68/542637468.db2.gz	PYLLWJHPMPBFQR-DLBZAZTESA-N	1	1	357.454	2.275	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OC[C@@H]2CCCO2)CC1	ZINC000083408315	542697334	/nfs/dbraw/zinc/69/73/34/542697334.db2.gz	LJMAGTNKCOWHMZ-AEFFLSMTSA-N	1	1	363.502	2.378	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000087504344	542747870	/nfs/dbraw/zinc/74/78/70/542747870.db2.gz	PZFDSWFJBBIMPU-DOTOQJQBSA-N	1	1	362.470	2.376	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000087504344	542747872	/nfs/dbraw/zinc/74/78/72/542747872.db2.gz	PZFDSWFJBBIMPU-DOTOQJQBSA-N	1	1	362.470	2.376	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N(C)C[C@@H](C)C#N)C2)cc(OC)c1	ZINC000088679546	542754462	/nfs/dbraw/zinc/75/44/62/542754462.db2.gz	BESOTVNHYOEFCC-GOEBONIOSA-N	1	1	360.458	2.079	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)N(C)C[C@@H](C)C#N)C2)cc(OC)c1	ZINC000088679546	542754465	/nfs/dbraw/zinc/75/44/65/542754465.db2.gz	BESOTVNHYOEFCC-GOEBONIOSA-N	1	1	360.458	2.079	20	30		FEEDMO
C=CCc1cc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc(OC)c1OC	ZINC000090460551	542785392	/nfs/dbraw/zinc/78/53/92/542785392.db2.gz	ZGYPEGRXLLEECR-MSOLQXFVSA-N	1	1	374.481	2.415	20	30		FEEDMO
C=CCc1cc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cc(OC)c1OC	ZINC000090460551	542785396	/nfs/dbraw/zinc/78/53/96/542785396.db2.gz	ZGYPEGRXLLEECR-MSOLQXFVSA-N	1	1	374.481	2.415	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccc(OC)cc1	ZINC000091540298	542811737	/nfs/dbraw/zinc/81/17/37/542811737.db2.gz	CIYYDJAGIFJQMD-HXUWFJFHSA-N	1	1	372.513	2.209	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cc1	ZINC000091605774	542815864	/nfs/dbraw/zinc/81/58/64/542815864.db2.gz	JWUKKMDABZQLLP-CQSZACIVSA-N	1	1	367.453	2.074	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(-n2cccn2)c1	ZINC000091936526	542833586	/nfs/dbraw/zinc/83/35/86/542833586.db2.gz	FHGMKBRYOCXQET-INIZCTEOSA-N	1	1	359.437	2.245	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(-n2cccn2)c1	ZINC000091936526	542833589	/nfs/dbraw/zinc/83/35/89/542833589.db2.gz	FHGMKBRYOCXQET-INIZCTEOSA-N	1	1	359.437	2.245	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1	ZINC000092807803	542887878	/nfs/dbraw/zinc/88/78/78/542887878.db2.gz	JCHULAODWWPPBH-INIZCTEOSA-N	1	1	367.396	2.423	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1	ZINC000092807803	542887881	/nfs/dbraw/zinc/88/78/81/542887881.db2.gz	JCHULAODWWPPBH-INIZCTEOSA-N	1	1	367.396	2.423	20	30		FEEDMO
COc1ccc(C#N)cc1C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000093260532	542922126	/nfs/dbraw/zinc/92/21/26/542922126.db2.gz	PIRQCSNPTAMDLC-UHFFFAOYSA-N	1	1	366.421	2.104	20	30		FEEDMO
COc1cncc(N2CC[NH+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)n1	ZINC000093477383	542932625	/nfs/dbraw/zinc/93/26/25/542932625.db2.gz	YABDIIFNEWUFDL-OAHLLOKOSA-N	1	1	353.426	2.098	20	30		FEEDMO
N#Cc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1	ZINC000101554589	543032423	/nfs/dbraw/zinc/03/24/23/543032423.db2.gz	DVKHAUFZLADIGZ-GOSISDBHSA-N	1	1	355.413	2.259	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](C)Cc2ccccc21	ZINC000103411411	543106404	/nfs/dbraw/zinc/10/64/04/543106404.db2.gz	MPJSABMMILCJTM-UHFFFAOYSA-N	1	1	351.406	2.424	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](C)Cc2ccccc21	ZINC000103411411	543106406	/nfs/dbraw/zinc/10/64/06/543106406.db2.gz	MPJSABMMILCJTM-UHFFFAOYSA-N	1	1	351.406	2.424	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)CC1	ZINC000104652302	543136361	/nfs/dbraw/zinc/13/63/61/543136361.db2.gz	CYLSLDPPHZXRPO-UHFFFAOYSA-N	1	1	353.510	2.455	20	30		FEEDMO
COc1ccc(C[NH2+][C@@H](C)CN2CCN(C)CC2)cc1OCCCC#N	ZINC000106485689	543231785	/nfs/dbraw/zinc/23/17/85/543231785.db2.gz	WMBGWJGEARHWAY-KRWDZBQOSA-N	1	1	360.502	2.103	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccc(C#N)cn3)cc2)C[C@H](C)O1	ZINC000107552110	543272174	/nfs/dbraw/zinc/27/21/74/543272174.db2.gz	GDXNKSILKPBZEH-IYBDPMFKSA-N	1	1	364.449	2.492	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N	ZINC000108278045	543284744	/nfs/dbraw/zinc/28/47/44/543284744.db2.gz	KHWSIIZXPXRKJK-AWEZNQCLSA-N	1	1	374.510	2.393	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000111812354	543417104	/nfs/dbraw/zinc/41/71/04/543417104.db2.gz	LFROSNXLGWVVAO-LJQANCHMSA-N	1	1	374.529	2.323	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1	ZINC000112699886	543457941	/nfs/dbraw/zinc/45/79/41/543457941.db2.gz	XJVBGCPLCABMHC-INIZCTEOSA-N	1	1	356.470	2.371	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1	ZINC000112699886	543457942	/nfs/dbraw/zinc/45/79/42/543457942.db2.gz	XJVBGCPLCABMHC-INIZCTEOSA-N	1	1	356.470	2.371	20	30		FEEDMO
CN(C[C@@H](O)C[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)OC(C)(C)C	ZINC000818164778	675200141	/nfs/dbraw/zinc/20/01/41/675200141.db2.gz	BFDMTEHLIHWMED-HNNXBMFYSA-N	1	1	351.422	2.357	20	30		FEEDMO
CN(C[C@@H](O)C[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)OC(C)(C)C	ZINC000818164778	675200137	/nfs/dbraw/zinc/20/01/37/675200137.db2.gz	BFDMTEHLIHWMED-HNNXBMFYSA-N	1	1	351.422	2.357	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1	ZINC000118112026	543645851	/nfs/dbraw/zinc/64/58/51/543645851.db2.gz	LHMWLYRQDCWCGI-MRXNPFEDSA-N	1	1	359.470	2.427	20	30		FEEDMO
C=CC[C@@H](C)NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000116943468	543619764	/nfs/dbraw/zinc/61/97/64/543619764.db2.gz	PRRCOHCLNBEWFB-MRXNPFEDSA-N	1	1	374.485	2.111	20	30		FEEDMO
COC(=O)[C@]1(NCCCSCC#N)CCC[N@@H+](Cc2ccccc2)C1	ZINC000121124321	543689090	/nfs/dbraw/zinc/68/90/90/543689090.db2.gz	VHIRLTDDJWEERJ-IBGZPJMESA-N	1	1	361.511	2.431	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCN(C(=O)C2CC2)CC1	ZINC000121290372	543692373	/nfs/dbraw/zinc/69/23/73/543692373.db2.gz	MXZFSLAZWJRJOB-LJQANCHMSA-N	1	1	358.482	2.099	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](Cn2ccnn2)C1	ZINC000119032835	543662652	/nfs/dbraw/zinc/66/26/52/543662652.db2.gz	AJNXPIYPTRJGPF-NRGCRIOASA-N	1	1	372.517	2.309	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000119347402	543666338	/nfs/dbraw/zinc/66/63/38/543666338.db2.gz	JUAWFAKLDCNKKK-QAPCUYQASA-N	1	1	372.469	2.106	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1	ZINC000119433436	543667703	/nfs/dbraw/zinc/66/77/03/543667703.db2.gz	LKIDJHDABLENML-QAPCUYQASA-N	1	1	359.470	2.379	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1	ZINC000119433603	543667896	/nfs/dbraw/zinc/66/78/96/543667896.db2.gz	LKIDJHDABLENML-YJBOKZPZSA-N	1	1	359.470	2.379	20	30		FEEDMO
C=CC[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1cccc([N+](=O)[O-])c1	ZINC000119637354	543669690	/nfs/dbraw/zinc/66/96/90/543669690.db2.gz	WBVKPGYMVASICS-UHFFFAOYSA-N	1	1	360.414	2.303	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)CC)c2)CC1	ZINC000119827522	543672844	/nfs/dbraw/zinc/67/28/44/543672844.db2.gz	CDDINPSCHNJPJG-UHFFFAOYSA-N	1	1	350.484	2.251	20	30		FEEDMO
N#CCCN(C(=O)C[NH+]1CCC(N2CCCCC2=O)CC1)c1ccccc1	ZINC000120361900	543679019	/nfs/dbraw/zinc/67/90/19/543679019.db2.gz	BJBICKMTMQXHQZ-UHFFFAOYSA-N	1	1	368.481	2.410	20	30		FEEDMO
C=C(C)C[N@H+](CC)[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000125957259	543910993	/nfs/dbraw/zinc/91/09/93/543910993.db2.gz	YKLLVTAYXQPFAX-GOSISDBHSA-N	1	1	359.514	2.422	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F	ZINC000126017011	543914267	/nfs/dbraw/zinc/91/42/67/543914267.db2.gz	FWQSPKFTSSAADU-OLZOCXBDSA-N	1	1	360.376	2.068	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F	ZINC000126017011	543914270	/nfs/dbraw/zinc/91/42/70/543914270.db2.gz	FWQSPKFTSSAADU-OLZOCXBDSA-N	1	1	360.376	2.068	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1	ZINC000125624127	543892557	/nfs/dbraw/zinc/89/25/57/543892557.db2.gz	QGVVYTFAFJJFNT-NSHDSACASA-N	1	1	357.380	2.368	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000126920202	543963709	/nfs/dbraw/zinc/96/37/09/543963709.db2.gz	OIMDNHGGIJFTBP-QGZVFWFLSA-N	1	1	360.889	2.454	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[N@H+]1C1CC1	ZINC000127834203	544016207	/nfs/dbraw/zinc/01/62/07/544016207.db2.gz	AZBPLNZRKPIONS-HOCLYGCPSA-N	1	1	371.460	2.154	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1	ZINC000127289095	543983547	/nfs/dbraw/zinc/98/35/47/543983547.db2.gz	VCVGIJZTEGKTMH-WBMJQRKESA-N	1	1	362.861	2.339	20	30		FEEDMO
CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2)c1	ZINC000128806006	544074147	/nfs/dbraw/zinc/07/41/47/544074147.db2.gz	HJEMZDBWDVQUCA-UHFFFAOYSA-N	1	1	350.422	2.265	20	30		FEEDMO
CC(C)[N@@H+](C)CC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000129343042	544106792	/nfs/dbraw/zinc/10/67/92/544106792.db2.gz	MKKDHQODXQNCBK-UHFFFAOYSA-N	1	1	351.454	2.095	20	30		FEEDMO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@@H](C)CO)c1C#N	ZINC000132144995	544220554	/nfs/dbraw/zinc/22/05/54/544220554.db2.gz	YBAAJUIQZGNEQU-ZDUSSCGKSA-N	1	1	372.444	2.415	20	30		FEEDMO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@@H](C)CO)c1C#N	ZINC000132144995	544220555	/nfs/dbraw/zinc/22/05/55/544220555.db2.gz	YBAAJUIQZGNEQU-ZDUSSCGKSA-N	1	1	372.444	2.415	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3CCC(C)C)CC2)o1	ZINC000135315511	544341684	/nfs/dbraw/zinc/34/16/84/544341684.db2.gz	RBNCFBPAGDMKGG-KRWDZBQOSA-N	1	1	373.501	2.404	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1)C1CCCCC1	ZINC000142469518	544416880	/nfs/dbraw/zinc/41/68/80/544416880.db2.gz	JBPNDJNYEBKBJJ-UHFFFAOYSA-N	1	1	355.486	2.256	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1)C1CCCCC1	ZINC000142469518	544416884	/nfs/dbraw/zinc/41/68/84/544416884.db2.gz	JBPNDJNYEBKBJJ-UHFFFAOYSA-N	1	1	355.486	2.256	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1cccs1	ZINC000151013504	544496529	/nfs/dbraw/zinc/49/65/29/544496529.db2.gz	GEBLQACZABEPGD-CYBMUJFWSA-N	1	1	353.444	2.340	20	30		FEEDMO
CCOC(=O)C1([N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CCCCC1	ZINC000151209254	544517204	/nfs/dbraw/zinc/51/72/04/544517204.db2.gz	RFWTWTBBTDYTRC-QGZVFWFLSA-N	1	1	360.454	2.496	20	30		FEEDMO
CCOC(=O)C1([N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CCCCC1	ZINC000151209254	544517208	/nfs/dbraw/zinc/51/72/08/544517208.db2.gz	RFWTWTBBTDYTRC-QGZVFWFLSA-N	1	1	360.454	2.496	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@]2(CCOC2)C1	ZINC000153512970	544784706	/nfs/dbraw/zinc/78/47/06/544784706.db2.gz	VWELCBRMSIFVFW-FQEVSTJZSA-N	1	1	374.485	2.064	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@]2(CCOC2)C1	ZINC000153512970	544784711	/nfs/dbraw/zinc/78/47/11/544784711.db2.gz	VWELCBRMSIFVFW-FQEVSTJZSA-N	1	1	374.485	2.064	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCO[C@@H](C#N)C2)C1	ZINC000247536240	549352961	/nfs/dbraw/zinc/35/29/61/549352961.db2.gz	CNHDIZUEJXLYGT-APWZRJJASA-N	1	1	356.470	2.352	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1	ZINC000155208601	545002359	/nfs/dbraw/zinc/00/23/59/545002359.db2.gz	PLNKKEYCGBKJCM-INIZCTEOSA-N	1	1	374.485	2.342	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1	ZINC000155208601	545002361	/nfs/dbraw/zinc/00/23/61/545002361.db2.gz	PLNKKEYCGBKJCM-INIZCTEOSA-N	1	1	374.485	2.342	20	30		FEEDMO
CN(C[C@@H](O)c1ccc(C#N)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000188293690	328078868	/nfs/dbraw/zinc/07/88/68/328078868.db2.gz	MFVQDTXUNCIRBN-FGZHOGPDSA-N	1	1	365.477	2.160	20	30		FEEDMO
C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@]1(O)CCN(Cc2ccccc2)C1	ZINC000188293690	328078870	/nfs/dbraw/zinc/07/88/70/328078870.db2.gz	MFVQDTXUNCIRBN-FGZHOGPDSA-N	1	1	365.477	2.160	20	30		FEEDMO
C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@]1(O)CCN(Cc2ccccc2)C1	ZINC000188293690	328078872	/nfs/dbraw/zinc/07/88/72/328078872.db2.gz	MFVQDTXUNCIRBN-FGZHOGPDSA-N	1	1	365.477	2.160	20	30		FEEDMO
COCCO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000189664305	328160782	/nfs/dbraw/zinc/16/07/82/328160782.db2.gz	HQHJMCLDSPHHBJ-HNNXBMFYSA-N	1	1	351.834	2.278	20	30		FEEDMO
CC(C)C[C@]1(CO)CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000191657326	328276175	/nfs/dbraw/zinc/27/61/75/328276175.db2.gz	DRWYJXUXTCOLEL-SFHVURJKSA-N	1	1	350.484	2.205	20	30		FEEDMO
C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(C#N)cs2)CC1	ZINC000191904019	328287814	/nfs/dbraw/zinc/28/78/14/328287814.db2.gz	HZHJABYXXSANQK-UHFFFAOYSA-N	1	1	363.483	2.498	20	30		FEEDMO
C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(C#N)cs2)CC1	ZINC000191904019	328287816	/nfs/dbraw/zinc/28/78/16/328287816.db2.gz	HZHJABYXXSANQK-UHFFFAOYSA-N	1	1	363.483	2.498	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000193225748	328363698	/nfs/dbraw/zinc/36/36/98/328363698.db2.gz	STKRNQBBLJBMND-MRXNPFEDSA-N	1	1	359.474	2.062	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000193620594	328385923	/nfs/dbraw/zinc/38/59/23/328385923.db2.gz	ZOMLUJKGNQHOBC-GOSISDBHSA-N	1	1	373.501	2.350	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+](CCN(C)C)CC1	ZINC000193627453	328386488	/nfs/dbraw/zinc/38/64/88/328386488.db2.gz	IMLXFHCKJMNRAP-UHFFFAOYSA-N	1	1	359.474	2.104	20	30		FEEDMO
Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1	ZINC000193769969	328394204	/nfs/dbraw/zinc/39/42/04/328394204.db2.gz	IKILULOJOOJNBJ-LJQANCHMSA-N	1	1	366.465	2.132	20	30		FEEDMO
Cc1cc(NC(=O)CN2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)no1	ZINC000118391863	326089717	/nfs/dbraw/zinc/08/97/17/326089717.db2.gz	CTYABJPGHNDNHX-OAHLLOKOSA-N	1	1	353.426	2.172	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H]2CO)c1C#N	ZINC000118401147	326090541	/nfs/dbraw/zinc/09/05/41/326090541.db2.gz	XUNWSMGRJAIQRX-HNNXBMFYSA-N	1	1	356.426	2.013	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H]2CO)c1C#N	ZINC000118401147	326090543	/nfs/dbraw/zinc/09/05/43/326090543.db2.gz	XUNWSMGRJAIQRX-HNNXBMFYSA-N	1	1	356.426	2.013	20	30		FEEDMO
N#Cc1cccc(OCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1	ZINC000118866364	326109879	/nfs/dbraw/zinc/10/98/79/326109879.db2.gz	GHCPNANDIWYMSY-HNNXBMFYSA-N	1	1	353.382	2.427	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1F	ZINC000121626920	326353267	/nfs/dbraw/zinc/35/32/67/326353267.db2.gz	YIGXVGVUARGFBZ-FZKQIMNGSA-N	1	1	363.458	2.335	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000121639696	326353872	/nfs/dbraw/zinc/35/38/72/326353872.db2.gz	AINWWYAXWFPUDS-IEBWSBKVSA-N	1	1	359.495	2.337	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1	ZINC000121715098	326360698	/nfs/dbraw/zinc/36/06/98/326360698.db2.gz	FXVWCZIKYHIUQC-PBHICJAKSA-N	1	1	363.458	2.335	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC[C@@H]21	ZINC000122438474	326396920	/nfs/dbraw/zinc/39/69/20/326396920.db2.gz	BTOPUOIAJNHKPN-CJNGLKHVSA-N	1	1	353.875	2.316	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1cccs1	ZINC000156132094	326818800	/nfs/dbraw/zinc/81/88/00/326818800.db2.gz	LVUMDXHHYOPHMK-CYBMUJFWSA-N	1	1	353.444	2.340	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(c3nc(C)ccc3C#N)CC2)CC1	ZINC000161359197	326997013	/nfs/dbraw/zinc/99/70/13/326997013.db2.gz	VPGBEXYWMWZLRR-UHFFFAOYSA-N	1	1	355.486	2.032	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](OCCO)C1	ZINC000172300779	327194250	/nfs/dbraw/zinc/19/42/50/327194250.db2.gz	CWGRZASJHKHZKH-DOMZBBRYSA-N	1	1	351.834	2.012	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](OCCO)C1	ZINC000172300779	327194252	/nfs/dbraw/zinc/19/42/52/327194252.db2.gz	CWGRZASJHKHZKH-DOMZBBRYSA-N	1	1	351.834	2.012	20	30		FEEDMO
COC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1	ZINC000172877013	327224352	/nfs/dbraw/zinc/22/43/52/327224352.db2.gz	MWLRHBJFAGVJEI-CYBMUJFWSA-N	1	1	363.483	2.174	20	30		FEEDMO
COC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1	ZINC000172877013	327224353	/nfs/dbraw/zinc/22/43/53/327224353.db2.gz	MWLRHBJFAGVJEI-CYBMUJFWSA-N	1	1	363.483	2.174	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C	ZINC000173282199	327246556	/nfs/dbraw/zinc/24/65/56/327246556.db2.gz	IJMNADYLRXWDAS-SJORKVTESA-N	1	1	354.454	2.279	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C#N	ZINC000174636036	327340367	/nfs/dbraw/zinc/34/03/67/327340367.db2.gz	ROMDIVFRHJYXJD-GASCZTMLSA-N	1	1	356.470	2.289	20	30		FEEDMO
C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccc(C#N)cc1	ZINC000264279316	329006973	/nfs/dbraw/zinc/00/69/73/329006973.db2.gz	REEXSPPKHNYROT-INIZCTEOSA-N	1	1	357.502	2.287	20	30		FEEDMO
C[C@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccc(C#N)cc1	ZINC000264279316	329006974	/nfs/dbraw/zinc/00/69/74/329006974.db2.gz	REEXSPPKHNYROT-INIZCTEOSA-N	1	1	357.502	2.287	20	30		FEEDMO
COC(=O)[C@@H]1CC12CC[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC2	ZINC000265073309	329087988	/nfs/dbraw/zinc/08/79/88/329087988.db2.gz	PSLGZZZOFWWLST-AWEZNQCLSA-N	1	1	361.829	2.425	20	30		FEEDMO
CN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1=O	ZINC000265676396	329149250	/nfs/dbraw/zinc/14/92/50/329149250.db2.gz	ZJMOWUIFEWUVPX-OAHLLOKOSA-N	1	1	374.510	2.380	20	30		FEEDMO
N#Cc1cccc(OCCC[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1	ZINC000275087753	330009112	/nfs/dbraw/zinc/00/91/12/330009112.db2.gz	GYKZYYRROQSEOS-AWEZNQCLSA-N	1	1	355.360	2.328	20	30		FEEDMO
C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000367137857	330221625	/nfs/dbraw/zinc/22/16/25/330221625.db2.gz	LTQFCRDPVHKDCX-GFCCVEGCSA-N	1	1	364.496	2.224	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cc(Br)cc3[nH]cnc32)CC1	ZINC000554564906	674324014	/nfs/dbraw/zinc/32/40/14/674324014.db2.gz	BRHRKZMVWJZLBG-UHFFFAOYSA-N	1	1	362.231	2.043	20	30		FEEDMO
Cn1cc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)c(C(F)(F)F)n1	ZINC000155293354	545506207	/nfs/dbraw/zinc/50/62/07/545506207.db2.gz	KQTARWOAXNRNSB-AWEZNQCLSA-N	1	1	368.359	2.182	20	30		FEEDMO
Cn1cc(C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)c(C(F)(F)F)n1	ZINC000155293354	545506210	/nfs/dbraw/zinc/50/62/10/545506210.db2.gz	KQTARWOAXNRNSB-AWEZNQCLSA-N	1	1	368.359	2.182	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000155476693	545531258	/nfs/dbraw/zinc/53/12/58/545531258.db2.gz	HQZSPDXCDYOGNC-CQSZACIVSA-N	1	1	360.433	2.120	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)cc1	ZINC000155878683	545579411	/nfs/dbraw/zinc/57/94/11/545579411.db2.gz	WHINTVVEHJILFB-IBGZPJMESA-N	1	1	363.465	2.052	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCn4ccnc4C3)CC2)cc1	ZINC000155878683	545579416	/nfs/dbraw/zinc/57/94/16/545579416.db2.gz	WHINTVVEHJILFB-IBGZPJMESA-N	1	1	363.465	2.052	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000155963672	545587393	/nfs/dbraw/zinc/58/73/93/545587393.db2.gz	SPXXHJBGWAVCTL-APWZRJJASA-N	1	1	366.465	2.281	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1cccs1	ZINC000156131978	545601802	/nfs/dbraw/zinc/60/18/02/545601802.db2.gz	LVUMDXHHYOPHMK-ZDUSSCGKSA-N	1	1	353.444	2.340	20	30		FEEDMO
C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000156901331	545675017	/nfs/dbraw/zinc/67/50/17/545675017.db2.gz	QSXVFUOLGBJTQT-UHFFFAOYSA-N	1	1	374.422	2.223	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000156937354	545680707	/nfs/dbraw/zinc/68/07/07/545680707.db2.gz	HSCWXMLREMIGKS-YLJYHZDGSA-N	1	1	373.522	2.281	20	30		FEEDMO
CC(C)(C)C[N@H+](CCC#N)C[C@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000157240100	545716430	/nfs/dbraw/zinc/71/64/30/545716430.db2.gz	PMQOKXUTJWHRLM-INIZCTEOSA-N	1	1	358.442	2.126	20	30		FEEDMO
CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000157240100	545716437	/nfs/dbraw/zinc/71/64/37/545716437.db2.gz	PMQOKXUTJWHRLM-INIZCTEOSA-N	1	1	358.442	2.126	20	30		FEEDMO
N#Cc1ccc(CCC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1	ZINC000159357627	545946346	/nfs/dbraw/zinc/94/63/46/545946346.db2.gz	BTEJDPZQGCMLCT-OAQYLSRUSA-N	1	1	363.461	2.026	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CCOC)[C@H](CCC)C2)CC1	ZINC000161762903	546134523	/nfs/dbraw/zinc/13/45/23/546134523.db2.gz	TWRJRKGKRLEQAU-LJQANCHMSA-N	1	1	366.550	2.169	20	30		FEEDMO
CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000162148792	546136291	/nfs/dbraw/zinc/13/62/91/546136291.db2.gz	FXFLANJKIYJKFN-BXWFABGCSA-N	1	1	351.491	2.485	20	30		FEEDMO
N#CC1(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CCSCC1	ZINC000162307430	546138550	/nfs/dbraw/zinc/13/85/50/546138550.db2.gz	ZISPGCIEZQLNKG-KRWDZBQOSA-N	1	1	359.495	2.183	20	30		FEEDMO
N#CC1(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CCSCC1	ZINC000162307430	546138555	/nfs/dbraw/zinc/13/85/55/546138555.db2.gz	ZISPGCIEZQLNKG-KRWDZBQOSA-N	1	1	359.495	2.183	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1	ZINC000163271061	546144086	/nfs/dbraw/zinc/14/40/86/546144086.db2.gz	UBSUIZFQDISZCU-HNNXBMFYSA-N	1	1	374.510	2.431	20	30		FEEDMO
N#CC1(CS(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1	ZINC000164974332	546152212	/nfs/dbraw/zinc/15/22/12/546152212.db2.gz	NCXDUYYBDDYIQS-AWEZNQCLSA-N	1	1	353.513	2.183	20	30		FEEDMO
C=CCOc1cccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1	ZINC000165169831	546152253	/nfs/dbraw/zinc/15/22/53/546152253.db2.gz	RIFYTJGGVDMZMB-SFHVURJKSA-N	1	1	372.469	2.022	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1	ZINC000171536756	546214080	/nfs/dbraw/zinc/21/40/80/546214080.db2.gz	XXCIIIDNVSHNNG-UHFFFAOYSA-N	1	1	372.874	2.040	20	30		FEEDMO
C[N@@H+](CCN1CCN(C(=O)NCCCCC#N)CC1)Cc1ccccc1	ZINC000171689724	546219969	/nfs/dbraw/zinc/21/99/69/546219969.db2.gz	DBZWLMNIHMDBHH-UHFFFAOYSA-N	1	1	357.502	2.139	20	30		FEEDMO
COc1cccc([C@H](C)[NH+]2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)c1	ZINC000171705962	546219999	/nfs/dbraw/zinc/21/99/99/546219999.db2.gz	NOPLQDNFRSEZDO-IRXDYDNUSA-N	1	1	358.486	2.134	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](OCCO)C2)c1C	ZINC000172293846	546244530	/nfs/dbraw/zinc/24/45/30/546244530.db2.gz	GHKDEJSAFGNPBM-GOSISDBHSA-N	1	1	359.470	2.023	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](OCCO)C2)c1C	ZINC000172293846	546244534	/nfs/dbraw/zinc/24/45/34/546244534.db2.gz	GHKDEJSAFGNPBM-GOSISDBHSA-N	1	1	359.470	2.023	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1OC	ZINC000174180748	546292694	/nfs/dbraw/zinc/29/26/94/546292694.db2.gz	NNJXYTQKVMZONV-MRXNPFEDSA-N	1	1	360.454	2.054	20	30		FEEDMO
C[C@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)CN1CC[NH+](C)CC1	ZINC000174903931	546305247	/nfs/dbraw/zinc/30/52/47/546305247.db2.gz	YOSPALRKTMDQQD-MRXNPFEDSA-N	1	1	357.502	2.493	20	30		FEEDMO
CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000174954644	546305271	/nfs/dbraw/zinc/30/52/71/546305271.db2.gz	ISRPDHJCCUYNEM-CTNGQTDRSA-N	1	1	354.498	2.391	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000175376850	546309773	/nfs/dbraw/zinc/30/97/73/546309773.db2.gz	BVEAZXNNRYBHRO-MRXNPFEDSA-N	1	1	359.449	2.013	20	30		FEEDMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccc(F)cc1C#N)Cc1ccc(F)cc1	ZINC000176007266	546388734	/nfs/dbraw/zinc/38/87/34/546388734.db2.gz	KXRQWASOHLOQOB-UHFFFAOYSA-N	1	1	372.375	2.023	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1	ZINC000176047581	546395782	/nfs/dbraw/zinc/39/57/82/546395782.db2.gz	OWJONTALCGMGAC-SFHVURJKSA-N	1	1	361.445	2.093	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000176311009	546429904	/nfs/dbraw/zinc/42/99/04/546429904.db2.gz	ZHNRBPAKFITJDS-AEFFLSMTSA-N	1	1	364.453	2.025	20	30		FEEDMO
N#Cc1csc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c1	ZINC000176980199	546517922	/nfs/dbraw/zinc/51/79/22/546517922.db2.gz	HPBIQPSFLVJOMB-HNNXBMFYSA-N	1	1	354.435	2.322	20	30		FEEDMO
N#Cc1csc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c1	ZINC000176980199	546517924	/nfs/dbraw/zinc/51/79/24/546517924.db2.gz	HPBIQPSFLVJOMB-HNNXBMFYSA-N	1	1	354.435	2.322	20	30		FEEDMO
CCc1nc(CN2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)cs1	ZINC000177715374	546673198	/nfs/dbraw/zinc/67/31/98/546673198.db2.gz	BWMDJJFXVXRTSL-GOSISDBHSA-N	1	1	356.495	2.428	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1	ZINC000178901402	546871572	/nfs/dbraw/zinc/87/15/72/546871572.db2.gz	FVRUISJGNACWHD-MRXNPFEDSA-N	1	1	356.470	2.289	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)[C@@H]1c1ccccc1	ZINC000178943615	546878174	/nfs/dbraw/zinc/87/81/74/546878174.db2.gz	RJIXUJYSMVIPRA-AEFFLSMTSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)[C@@H]1c1ccccc1	ZINC000178943615	546878176	/nfs/dbraw/zinc/87/81/76/546878176.db2.gz	RJIXUJYSMVIPRA-AEFFLSMTSA-N	1	1	359.426	2.421	20	30		FEEDMO
C=CCOC[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)OC	ZINC000482440150	561253905	/nfs/dbraw/zinc/25/39/05/561253905.db2.gz	PYSAZGUZYINYDA-NMLBUPMWSA-N	1	1	358.482	2.231	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000180351646	547089503	/nfs/dbraw/zinc/08/95/03/547089503.db2.gz	DENQKCCURWFICV-HXUWFJFHSA-N	1	1	366.509	2.484	20	30		FEEDMO
C=CCNC(=O)C[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl	ZINC000181129637	547255238	/nfs/dbraw/zinc/25/52/38/547255238.db2.gz	ULOVPXPDWBDAAC-UHFFFAOYSA-N	1	1	350.825	2.424	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1	ZINC000182550081	547511728	/nfs/dbraw/zinc/51/17/28/547511728.db2.gz	ITMYLBBOOZRXMC-INIZCTEOSA-N	1	1	359.470	2.270	20	30		FEEDMO
C[C@H](C1CC1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000182620600	547523568	/nfs/dbraw/zinc/52/35/68/547523568.db2.gz	DEEPZBNWZHCSCZ-BEFAXECRSA-N	1	1	358.461	2.265	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000182856422	547562681	/nfs/dbraw/zinc/56/26/81/547562681.db2.gz	CDWRRVNRTIMAHA-CYBMUJFWSA-N	1	1	357.380	2.301	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000182856422	547562683	/nfs/dbraw/zinc/56/26/83/547562683.db2.gz	CDWRRVNRTIMAHA-CYBMUJFWSA-N	1	1	357.380	2.301	20	30		FEEDMO
C=CC[C@@H](CO)NC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1	ZINC000183412630	547654363	/nfs/dbraw/zinc/65/43/63/547654363.db2.gz	LZOPDUGVHMFZMR-HNNXBMFYSA-N	1	1	366.531	2.154	20	30		FEEDMO
N#Cc1ccccc1/C=C/C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000183435399	547658632	/nfs/dbraw/zinc/65/86/32/547658632.db2.gz	VETYOSKRKYMBPR-GLCJEOIMSA-N	1	1	361.445	2.454	20	30		FEEDMO
C=CC[N@H+](CCOC)C[C@H](O)COc1cc(F)cc(Br)c1	ZINC000484553662	561299969	/nfs/dbraw/zinc/29/99/69/561299969.db2.gz	FAQOREYDHHBENS-AWEZNQCLSA-N	1	1	362.239	2.462	20	30		FEEDMO
COC(=O)c1cn(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)nn1	ZINC000183743063	547711469	/nfs/dbraw/zinc/71/14/69/547711469.db2.gz	SWFOQDCGNSDUMB-UHFFFAOYSA-N	1	1	358.829	2.407	20	30		FEEDMO
CC[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[N@H+]1Cc1ccccc1	ZINC000183755361	547713995	/nfs/dbraw/zinc/71/39/95/547713995.db2.gz	FQYPPSDHXKUICJ-HXUWFJFHSA-N	1	1	367.497	2.239	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1cccc(Br)c1	ZINC000183899699	547736855	/nfs/dbraw/zinc/73/68/55/547736855.db2.gz	BSJHBOLXAIYDJK-GDBMZVCRSA-N	1	1	368.275	2.127	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC[C@@H](C)C1	ZINC000484870197	561307498	/nfs/dbraw/zinc/30/74/98/561307498.db2.gz	ZLAMJYUTOIRLJZ-NVXWUHKLSA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC[C@@H](C)C1	ZINC000484870197	561307499	/nfs/dbraw/zinc/30/74/99/561307499.db2.gz	ZLAMJYUTOIRLJZ-NVXWUHKLSA-N	1	1	350.484	2.469	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1	ZINC000185620496	548010102	/nfs/dbraw/zinc/01/01/02/548010102.db2.gz	XAUFSHSIHYFZQX-OAHLLOKOSA-N	1	1	373.478	2.366	20	30		FEEDMO
C[C@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)N1CC[NH+](C)CC1	ZINC000186228726	548104068	/nfs/dbraw/zinc/10/40/68/548104068.db2.gz	ROIBTLAMDKEYDI-BXUZGUMPSA-N	1	1	355.269	2.310	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000186755512	548185488	/nfs/dbraw/zinc/18/54/88/548185488.db2.gz	BPUPESBBPWRYIB-GJZGRUSLSA-N	1	1	360.458	2.286	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1OC	ZINC000186948878	548226453	/nfs/dbraw/zinc/22/64/53/548226453.db2.gz	AMURBCVPAVLKEW-HNNXBMFYSA-N	1	1	362.470	2.177	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](N[C@H](C(=O)OC)c2cccc(C#N)c2)[C@H](C)C1	ZINC000187018284	548241878	/nfs/dbraw/zinc/24/18/78/548241878.db2.gz	OFMKHPYOZUMOPA-AHRSYUTCSA-N	1	1	373.497	2.499	20	30		FEEDMO
C=C(C)[C@@H]([NH2+][C@H](C)C(=O)N1CCC(C(N)=O)CC1)c1ccc(F)c(F)c1	ZINC000187776175	548264258	/nfs/dbraw/zinc/26/42/58/548264258.db2.gz	NQVVUGWODICCSW-SJKOYZFVSA-N	1	1	365.424	2.284	20	30		FEEDMO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCCC[NH+]1CCOCC1	ZINC000191911056	548352784	/nfs/dbraw/zinc/35/27/84/548352784.db2.gz	MJVIFXIUHWMVFD-UHFFFAOYSA-N	1	1	373.497	2.316	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1	ZINC000192829777	548373823	/nfs/dbraw/zinc/37/38/23/548373823.db2.gz	GUDHYZXJZMXRBQ-HUUCEWRRSA-N	1	1	356.388	2.324	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000193753820	548396242	/nfs/dbraw/zinc/39/62/42/548396242.db2.gz	QQBTYYHGUJTLPY-IYBDPMFKSA-N	1	1	374.485	2.175	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000193753820	548396252	/nfs/dbraw/zinc/39/62/52/548396252.db2.gz	QQBTYYHGUJTLPY-IYBDPMFKSA-N	1	1	374.485	2.175	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2=O)cc1	ZINC000486904659	561359375	/nfs/dbraw/zinc/35/93/75/561359375.db2.gz	PTMJNEJXLVYEEY-GOSISDBHSA-N	1	1	368.368	2.496	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000195718915	548656226	/nfs/dbraw/zinc/65/62/26/548656226.db2.gz	KDHOFJMZVIQQJW-RDJZCZTQSA-N	1	1	374.460	2.309	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000195718915	548656232	/nfs/dbraw/zinc/65/62/32/548656232.db2.gz	KDHOFJMZVIQQJW-RDJZCZTQSA-N	1	1	374.460	2.309	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1	ZINC000245728358	548983512	/nfs/dbraw/zinc/98/35/12/548983512.db2.gz	JBPCNYVDLRBOIT-SJORKVTESA-N	1	1	367.453	2.173	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1	ZINC000245728358	548983515	/nfs/dbraw/zinc/98/35/15/548983515.db2.gz	JBPCNYVDLRBOIT-SJORKVTESA-N	1	1	367.453	2.173	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1	ZINC000245728358	548983519	/nfs/dbraw/zinc/98/35/19/548983519.db2.gz	JBPCNYVDLRBOIT-SJORKVTESA-N	1	1	367.453	2.173	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@@H]1C	ZINC000245848176	549002349	/nfs/dbraw/zinc/00/23/49/549002349.db2.gz	LTOBDCYZXBJNGG-GPMSIDNRSA-N	1	1	358.461	2.265	20	30		FEEDMO
C=CCN(C(=O)C[N@H+](CC)C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000488212310	561386167	/nfs/dbraw/zinc/38/61/67/561386167.db2.gz	BVULALUINSBGPF-OAHLLOKOSA-N	1	1	354.458	2.222	20	30		FEEDMO
CCC[C@H]1CN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC[N@H+]1CCOC	ZINC000246060858	549043596	/nfs/dbraw/zinc/04/35/96/549043596.db2.gz	YIGIKQKEZNGZFB-MSOLQXFVSA-N	1	1	364.534	2.150	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@@H](O)COCc1ccccc1	ZINC000246366997	549116726	/nfs/dbraw/zinc/11/67/26/549116726.db2.gz	LQRNOFYXZSOBCE-PKOBYXMFSA-N	1	1	373.497	2.227	20	30		FEEDMO
C=CCn1cccc1C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1	ZINC000488733376	561395581	/nfs/dbraw/zinc/39/55/81/561395581.db2.gz	OYCJMMRANMXUEM-UHFFFAOYSA-N	1	1	366.465	2.243	20	30		FEEDMO
C[N@@H+](CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CCCC1	ZINC000246721784	549196912	/nfs/dbraw/zinc/19/69/12/549196912.db2.gz	NGKXPRDQECUMLP-FQEVSTJZSA-N	1	1	369.513	2.280	20	30		FEEDMO
CC(C)[C@H](C(=O)NCCOc1ccc(C#N)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000246728741	549197860	/nfs/dbraw/zinc/19/78/60/549197860.db2.gz	MCQDARZPZYQQHC-GPMSIDNRSA-N	1	1	359.470	2.187	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cc1Cl	ZINC000246786838	549211159	/nfs/dbraw/zinc/21/11/59/549211159.db2.gz	CPSROHDCZKFKLR-SJORKVTESA-N	1	1	363.845	2.420	20	30		FEEDMO
C=CCn1cccc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000489017533	561401700	/nfs/dbraw/zinc/40/17/00/561401700.db2.gz	FSQRNOBVHFQIEG-MOPGFXCFSA-N	1	1	353.466	2.287	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCO[C@@H](C#N)C2)cc1	ZINC000247868143	549387057	/nfs/dbraw/zinc/38/70/57/549387057.db2.gz	XCJSWJRUNMTNII-APWZRJJASA-N	1	1	356.470	2.495	20	30		FEEDMO
Cc1ccc([C@H](CNS(=O)(=O)c2cnc(C)c(C#N)c2)[NH+](C)C)cc1	ZINC000489269658	561407054	/nfs/dbraw/zinc/40/70/54/561407054.db2.gz	UPBMCBJUGJXLFB-SFHVURJKSA-N	1	1	358.467	2.151	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccn(CCC#N)n1	ZINC000248796541	549503819	/nfs/dbraw/zinc/50/38/19/549503819.db2.gz	JFRITXXWOXUQRN-NVXWUHKLSA-N	1	1	352.442	2.439	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@H]1COc2ccccc2O1	ZINC000249506208	549597350	/nfs/dbraw/zinc/59/73/50/549597350.db2.gz	IFLFMIZICLMENJ-HOTGVXAUSA-N	1	1	357.454	2.489	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@H]1COc2ccccc2O1	ZINC000249506208	549597355	/nfs/dbraw/zinc/59/73/55/549597355.db2.gz	IFLFMIZICLMENJ-HOTGVXAUSA-N	1	1	357.454	2.489	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3C[C@@H]4OCCC[C@@H]34)CC2)cc1	ZINC000251614115	549648265	/nfs/dbraw/zinc/64/82/65/549648265.db2.gz	GGZXPKIURPFRCO-ZCNNSNEGSA-N	1	1	368.481	2.343	20	30		FEEDMO
CN1CCN(c2cc(CNC(=[NH2+])Nc3cc(F)ccc3F)ccn2)CC1	ZINC000262250493	549802117	/nfs/dbraw/zinc/80/21/17/549802117.db2.gz	DGAKFKILGVWEQA-UHFFFAOYSA-N	1	1	360.412	2.038	20	30		FEEDMO
CC[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CC[C@H](N2CC=CC2)C1	ZINC000262773677	549848635	/nfs/dbraw/zinc/84/86/35/549848635.db2.gz	INWGPZAQTZRJMV-MSOLQXFVSA-N	1	1	354.498	2.464	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C	ZINC000263642501	549911781	/nfs/dbraw/zinc/91/17/81/549911781.db2.gz	ADZYLMDLOXLFQC-IBGZPJMESA-N	1	1	372.513	2.327	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000263660540	549914725	/nfs/dbraw/zinc/91/47/25/549914725.db2.gz	AUCWZFXJIMDDQU-QGZVFWFLSA-N	1	1	356.470	2.371	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000263894674	549952018	/nfs/dbraw/zinc/95/20/18/549952018.db2.gz	VEVZZEFEFOXJNT-KRWDZBQOSA-N	1	1	359.518	2.362	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)CCc2noc(C)n2)c(OC)c1	ZINC000264229991	549993364	/nfs/dbraw/zinc/99/33/64/549993364.db2.gz	RIGNLLPFIBUDKK-MRXNPFEDSA-N	1	1	361.442	2.029	20	30		FEEDMO
COc1ccc(C[NH2+]C[C@H](C)CN2CCN(C)CC2)cc1OCCCC#N	ZINC000264382691	549995460	/nfs/dbraw/zinc/99/54/60/549995460.db2.gz	PMGPMTVPDBTHRF-SFHVURJKSA-N	1	1	374.529	2.351	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1OC	ZINC000264562812	549997701	/nfs/dbraw/zinc/99/77/01/549997701.db2.gz	RCVPARGBJIHIFF-JKNJVXJCSA-N	1	1	360.454	2.110	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@@H+](C)C1CC1	ZINC000265395309	550009281	/nfs/dbraw/zinc/00/92/81/550009281.db2.gz	QFONYDMAJPFMNI-CYBMUJFWSA-N	1	1	360.483	2.087	20	30		FEEDMO
N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1	ZINC000266109432	550017200	/nfs/dbraw/zinc/01/72/00/550017200.db2.gz	SJYNKENUHZJHJX-PMACEKPBSA-N	1	1	354.498	2.250	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1CCN(c2[nH+]ccn2C)CC1	ZINC000266909723	550025902	/nfs/dbraw/zinc/02/59/02/550025902.db2.gz	IQDWCEORPJHZEV-UHFFFAOYSA-N	1	1	371.510	2.459	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000267655873	550034329	/nfs/dbraw/zinc/03/43/29/550034329.db2.gz	COUJHGGHOSWYAJ-MRXNPFEDSA-N	1	1	369.387	2.077	20	30		FEEDMO
CC(=O)N1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C)C1	ZINC000268631008	550096086	/nfs/dbraw/zinc/09/60/86/550096086.db2.gz	BLWZZXXBZDRADI-ZDUSSCGKSA-N	1	1	374.510	2.380	20	30		FEEDMO
CC(=O)N1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C)C1	ZINC000268631008	550096089	/nfs/dbraw/zinc/09/60/89/550096089.db2.gz	BLWZZXXBZDRADI-ZDUSSCGKSA-N	1	1	374.510	2.380	20	30		FEEDMO
COCCOc1cccc(CNC(=O)CO[NH+]=C(N)CCC(C)C)c1	ZINC000268630467	550096359	/nfs/dbraw/zinc/09/63/59/550096359.db2.gz	LXOVLUDLHDTWFI-UHFFFAOYSA-N	1	1	351.447	2.053	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1	ZINC000269611843	550210400	/nfs/dbraw/zinc/21/04/00/550210400.db2.gz	YQOLJEHFMZWQPD-KBXCAEBGSA-N	1	1	370.428	2.111	20	30		FEEDMO
C=C(C)[C@H](CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)OCC	ZINC000270126838	550250517	/nfs/dbraw/zinc/25/05/17/550250517.db2.gz	WVWKLJNKJMWHJB-SFHVURJKSA-N	1	1	359.470	2.384	20	30		FEEDMO
C=C(C)[C@H](CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)OCC	ZINC000270139142	550251395	/nfs/dbraw/zinc/25/13/95/550251395.db2.gz	ZSDWQTCPTMCUQI-ROUUACIJSA-N	1	1	359.470	2.446	20	30		FEEDMO
C=C(C)[C@H](CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)OCC	ZINC000270139142	550251397	/nfs/dbraw/zinc/25/13/97/550251397.db2.gz	ZSDWQTCPTMCUQI-ROUUACIJSA-N	1	1	359.470	2.446	20	30		FEEDMO
Cc1cc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nn1CCC#N	ZINC000271079067	550338357	/nfs/dbraw/zinc/33/83/57/550338357.db2.gz	QUGJZTDPQKHQEL-GOSISDBHSA-N	1	1	367.453	2.335	20	30		FEEDMO
Cc1cc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1CCC#N	ZINC000271079067	550338359	/nfs/dbraw/zinc/33/83/59/550338359.db2.gz	QUGJZTDPQKHQEL-GOSISDBHSA-N	1	1	367.453	2.335	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)cc1OC	ZINC000271131079	550343591	/nfs/dbraw/zinc/34/35/91/550343591.db2.gz	KBVMRIXCMHYZNJ-GOSISDBHSA-N	1	1	367.486	2.494	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](CCO)Cc1cc(Br)cs1	ZINC000494253308	561465712	/nfs/dbraw/zinc/46/57/12/561465712.db2.gz	GVYZXNGTUOKKFE-UHFFFAOYSA-N	1	1	374.304	2.067	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)Nc2nc(-c3cccs3)cs2)CC1	ZINC000271985334	550414676	/nfs/dbraw/zinc/41/46/76/550414676.db2.gz	CNGQAZNRCMVNSV-UHFFFAOYSA-N	1	1	360.508	2.451	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1	ZINC000272009550	550415542	/nfs/dbraw/zinc/41/55/42/550415542.db2.gz	JYYIHMDIDADGGB-UHFFFAOYSA-N	1	1	352.482	2.191	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000494315976	561466970	/nfs/dbraw/zinc/46/69/70/561466970.db2.gz	SVWNBJSNQLGNKG-NJDAHSKKSA-N	1	1	371.525	2.463	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000494315976	561466971	/nfs/dbraw/zinc/46/69/71/561466971.db2.gz	SVWNBJSNQLGNKG-NJDAHSKKSA-N	1	1	371.525	2.463	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000494315976	561466972	/nfs/dbraw/zinc/46/69/72/561466972.db2.gz	SVWNBJSNQLGNKG-NJDAHSKKSA-N	1	1	371.525	2.463	20	30		FEEDMO
C=CC[N@H+](CCc1ccco1)CC(=O)NCCCN1CCCCCC1=O	ZINC000272305366	550436442	/nfs/dbraw/zinc/43/64/42/550436442.db2.gz	QOQFECQJDIVOTB-UHFFFAOYSA-N	1	1	361.486	2.219	20	30		FEEDMO
C=CC[N@@H+](CCc1ccco1)CC(=O)NCCCN1CCCCCC1=O	ZINC000272305366	550436444	/nfs/dbraw/zinc/43/64/44/550436444.db2.gz	QOQFECQJDIVOTB-UHFFFAOYSA-N	1	1	361.486	2.219	20	30		FEEDMO
N#CCSCCC[NH+]1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1	ZINC000272327827	550437755	/nfs/dbraw/zinc/43/77/55/550437755.db2.gz	MHPRTOBUGQXMBG-MRXNPFEDSA-N	1	1	366.918	2.131	20	30		FEEDMO
N#CCSCCC[NH+]1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1	ZINC000272327822	550437935	/nfs/dbraw/zinc/43/79/35/550437935.db2.gz	MHPRTOBUGQXMBG-INIZCTEOSA-N	1	1	366.918	2.131	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)[C@@H]2C1	ZINC000272455891	550449825	/nfs/dbraw/zinc/44/98/25/550449825.db2.gz	JYMAXLAEAXAMSJ-IEBWSBKVSA-N	1	1	368.481	2.266	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000272594669	550459831	/nfs/dbraw/zinc/45/98/31/550459831.db2.gz	XRHVOKUKSFLCKA-CVEARBPZSA-N	1	1	351.491	2.422	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1	ZINC000274278248	550530992	/nfs/dbraw/zinc/53/09/92/550530992.db2.gz	ULQDGQGZUXYBPC-IYBDPMFKSA-N	1	1	357.458	2.461	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)CC[N@@H+](C)C1CC1	ZINC000274451277	550538335	/nfs/dbraw/zinc/53/83/35/550538335.db2.gz	FGRYTNABDJNKGA-INIZCTEOSA-N	1	1	358.486	2.356	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000274796776	550555043	/nfs/dbraw/zinc/55/50/43/550555043.db2.gz	DKPZWCWDUYHVKD-QWFCFKBJSA-N	1	1	356.514	2.495	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000274796776	550555044	/nfs/dbraw/zinc/55/50/44/550555044.db2.gz	DKPZWCWDUYHVKD-QWFCFKBJSA-N	1	1	356.514	2.495	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CO)c1cnn(C)c1	ZINC000275220808	550571136	/nfs/dbraw/zinc/57/11/36/550571136.db2.gz	UIZFAEBMZIVQAK-BBRMVZONSA-N	1	1	373.482	2.076	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C1=CC[N@@H+](C)CC1	ZINC000276158501	550577384	/nfs/dbraw/zinc/57/73/84/550577384.db2.gz	ROGLNSFJRAYNJQ-OAHLLOKOSA-N	1	1	370.453	2.074	20	30		FEEDMO
C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@@](=O)C1	ZINC000277439685	550670690	/nfs/dbraw/zinc/67/06/90/550670690.db2.gz	LGIOWRLXAZEXLB-FNODVLLQSA-N	1	1	365.524	2.137	20	30		FEEDMO
C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@@](=O)C1	ZINC000277439685	550670691	/nfs/dbraw/zinc/67/06/91/550670691.db2.gz	LGIOWRLXAZEXLB-FNODVLLQSA-N	1	1	365.524	2.137	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc(Cc3ccc(OCCOC)cc3)no2)CC1	ZINC000277870754	550723750	/nfs/dbraw/zinc/72/37/50/550723750.db2.gz	KKDTVQUTYJEVHN-UHFFFAOYSA-N	1	1	355.438	2.498	20	30		FEEDMO
C#CCC(CC#C)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000278770313	550820150	/nfs/dbraw/zinc/82/01/50/550820150.db2.gz	WYRQUJWKRWFTBH-OAQYLSRUSA-N	1	1	351.494	2.144	20	30		FEEDMO
C#CCC(CC#C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000278770313	550820151	/nfs/dbraw/zinc/82/01/51/550820151.db2.gz	WYRQUJWKRWFTBH-OAQYLSRUSA-N	1	1	351.494	2.144	20	30		FEEDMO
C#CCC(CC#C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000278770313	550820152	/nfs/dbraw/zinc/82/01/52/550820152.db2.gz	WYRQUJWKRWFTBH-OAQYLSRUSA-N	1	1	351.494	2.144	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)CN1CCC(c2[nH+]cc3n2CCCC3)CC1	ZINC000278776976	550820587	/nfs/dbraw/zinc/82/05/87/550820587.db2.gz	CULQSVGZTDHUGY-FQEVSTJZSA-N	1	1	357.502	2.453	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1	ZINC000279422961	550888760	/nfs/dbraw/zinc/88/87/60/550888760.db2.gz	ISJQLLGPMMOJTB-KSZLIROESA-N	1	1	359.518	2.414	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)CC1	ZINC000279515758	550898787	/nfs/dbraw/zinc/89/87/87/550898787.db2.gz	LJNLMCWBZWIKIQ-UHFFFAOYSA-N	1	1	361.243	2.107	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CC)C[C@@H](O)COc2cccc3[nH]ccc32)n1	ZINC000279661262	550913901	/nfs/dbraw/zinc/91/39/01/550913901.db2.gz	CVNOQUMQMTXELJ-QGZVFWFLSA-N	1	1	352.438	2.259	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CC)C[C@@H](O)COc2cccc3[nH]ccc32)n1	ZINC000279661262	550913902	/nfs/dbraw/zinc/91/39/02/550913902.db2.gz	CVNOQUMQMTXELJ-QGZVFWFLSA-N	1	1	352.438	2.259	20	30		FEEDMO
C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1	ZINC000279695164	550917778	/nfs/dbraw/zinc/91/77/78/550917778.db2.gz	GKUKUDWACFYTGD-VQIMIIECSA-N	1	1	369.465	2.324	20	30		FEEDMO
C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1	ZINC000279695164	550917780	/nfs/dbraw/zinc/91/77/80/550917780.db2.gz	GKUKUDWACFYTGD-VQIMIIECSA-N	1	1	369.465	2.324	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C	ZINC000279729725	550922346	/nfs/dbraw/zinc/92/23/46/550922346.db2.gz	NLEKKZGUXQAQPW-HKUYNNGSSA-N	1	1	371.460	2.345	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)CN2CCOCC2)c1C	ZINC000279737947	550923435	/nfs/dbraw/zinc/92/34/35/550923435.db2.gz	OJNNWNLAUBUAIO-GOSISDBHSA-N	1	1	372.513	2.203	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)CN2CCOCC2)c1C	ZINC000279737947	550923437	/nfs/dbraw/zinc/92/34/37/550923437.db2.gz	OJNNWNLAUBUAIO-GOSISDBHSA-N	1	1	372.513	2.203	20	30		FEEDMO
CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc(C#N)oc1C	ZINC000280753144	551028616	/nfs/dbraw/zinc/02/86/16/551028616.db2.gz	MOAXMKLPHOPSQZ-HNNXBMFYSA-N	1	1	361.442	2.339	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000281012783	551055034	/nfs/dbraw/zinc/05/50/34/551055034.db2.gz	HKXPFKYUGIEORK-QFBILLFUSA-N	1	1	353.422	2.073	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCN(C)C(=O)OC(C)(C)C	ZINC000281280667	551080593	/nfs/dbraw/zinc/08/05/93/551080593.db2.gz	LXTYFQOROFXJLO-OAHLLOKOSA-N	1	1	374.489	2.116	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCN(C)C(=O)OC(C)(C)C	ZINC000281280667	551080595	/nfs/dbraw/zinc/08/05/95/551080595.db2.gz	LXTYFQOROFXJLO-OAHLLOKOSA-N	1	1	374.489	2.116	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@]1(CO)CCOc2ccccc21	ZINC000281608045	551120020	/nfs/dbraw/zinc/12/00/20/551120020.db2.gz	GIOQIUYPHZUDTI-IBGZPJMESA-N	1	1	371.824	2.410	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1(C)C	ZINC000281960120	551162982	/nfs/dbraw/zinc/16/29/82/551162982.db2.gz	MVPYQNBPWDREKB-UHFFFAOYSA-N	1	1	369.513	2.258	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000497366631	561499467	/nfs/dbraw/zinc/49/94/67/561499467.db2.gz	MEAZCIIFKWRRKN-SFHVURJKSA-N	1	1	370.497	2.049	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000497366631	561499468	/nfs/dbraw/zinc/49/94/68/561499468.db2.gz	MEAZCIIFKWRRKN-SFHVURJKSA-N	1	1	370.497	2.049	20	30		FEEDMO
CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000497370081	561499512	/nfs/dbraw/zinc/49/95/12/561499512.db2.gz	MTHFKEHGLULSAB-VQIMIIECSA-N	1	1	370.497	2.191	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](CCC(=O)OC)Cc2ccc(F)c(F)c2)C1=O	ZINC000282136210	551185343	/nfs/dbraw/zinc/18/53/43/551185343.db2.gz	ZEBQOALWVINOAM-INIZCTEOSA-N	1	1	352.381	2.117	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](CCC(=O)OC)Cc2ccc(F)c(F)c2)C1=O	ZINC000282136210	551185345	/nfs/dbraw/zinc/18/53/45/551185345.db2.gz	ZEBQOALWVINOAM-INIZCTEOSA-N	1	1	352.381	2.117	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1	ZINC000282541696	551244408	/nfs/dbraw/zinc/24/44/08/551244408.db2.gz	RBWTYVNRWVHIIG-IEBWSBKVSA-N	1	1	366.465	2.187	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O	ZINC000284827193	551644434	/nfs/dbraw/zinc/64/44/34/551644434.db2.gz	OQTNBZVSGNXJPH-CAUGKJMWSA-N	1	1	357.454	2.137	20	30		FEEDMO
C[C@H]1COCC[C@H]1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+]	ZINC000284978966	551682348	/nfs/dbraw/zinc/68/23/48/551682348.db2.gz	FTNHKQJZSTUZQM-KBPBESRZSA-N	1	1	354.454	2.319	20	30		FEEDMO
N#Cc1ccc(OC2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)c(F)c1	ZINC000285560338	551774923	/nfs/dbraw/zinc/77/49/23/551774923.db2.gz	SLWXDLUWSGWCOX-HNNXBMFYSA-N	1	1	366.458	2.365	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1	ZINC000285576419	551777355	/nfs/dbraw/zinc/77/73/55/551777355.db2.gz	OCIPZLCIQLUAGH-GDBMZVCRSA-N	1	1	358.360	2.077	20	30		FEEDMO
COc1ccc(C(=O)CC[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1	ZINC000285829350	551816115	/nfs/dbraw/zinc/81/61/15/551816115.db2.gz	BTVUMRGXDRXDBY-UHFFFAOYSA-N	1	1	350.422	2.357	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000285833215	551816724	/nfs/dbraw/zinc/81/67/24/551816724.db2.gz	OOFMVCUVHYWSRW-IBGZPJMESA-N	1	1	357.498	2.092	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1	ZINC000286294248	551870827	/nfs/dbraw/zinc/87/08/27/551870827.db2.gz	CEHZIFIRUSXSQQ-UONOGXRCSA-N	1	1	355.360	2.380	20	30		FEEDMO
Cc1c(Cl)cnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1C#N	ZINC000286341394	551876398	/nfs/dbraw/zinc/87/63/98/551876398.db2.gz	KWMDHDMNMQLVQS-AGUYFDCRSA-N	1	1	361.877	2.411	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1	ZINC000286763692	551923647	/nfs/dbraw/zinc/92/36/47/551923647.db2.gz	ZLSMNACPJAEINK-KGLIPLIRSA-N	1	1	358.360	2.438	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)C(C)C	ZINC000287621785	552026546	/nfs/dbraw/zinc/02/65/46/552026546.db2.gz	PPGZJXGXVPRYON-IRXDYDNUSA-N	1	1	368.543	2.016	20	30		FEEDMO
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1	ZINC000288025960	552076856	/nfs/dbraw/zinc/07/68/56/552076856.db2.gz	HMALUPKQTAAKMS-OAHLLOKOSA-N	1	1	359.451	2.436	20	30		FEEDMO
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1	ZINC000288025960	552076858	/nfs/dbraw/zinc/07/68/58/552076858.db2.gz	HMALUPKQTAAKMS-OAHLLOKOSA-N	1	1	359.451	2.436	20	30		FEEDMO
C=CCN1CC[C@H](N[C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1=O	ZINC000499601822	561554420	/nfs/dbraw/zinc/55/44/20/561554420.db2.gz	FSCOHBUYDIVTFH-APWZRJJASA-N	1	1	374.504	2.405	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)o1	ZINC000288191059	552107282	/nfs/dbraw/zinc/10/72/82/552107282.db2.gz	PRFFMWYTULJOCR-YOEHRIQHSA-N	1	1	359.451	2.340	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O	ZINC000499943055	561562429	/nfs/dbraw/zinc/56/24/29/561562429.db2.gz	ZUKCPYJUJQAWMP-ZFWWWQNUSA-N	1	1	373.280	2.452	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)C1=O	ZINC000499943054	561562490	/nfs/dbraw/zinc/56/24/90/561562490.db2.gz	ZUKCPYJUJQAWMP-UKRRQHHQSA-N	1	1	373.280	2.452	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(/C=C\C)cc2OC)C1=O	ZINC000500019134	561564133	/nfs/dbraw/zinc/56/41/33/561564133.db2.gz	MVVXAKUXOOAGBL-CORAPOBDSA-N	1	1	374.481	2.187	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c(-c2ccncc2)n1	ZINC000289074772	552262334	/nfs/dbraw/zinc/26/23/34/552262334.db2.gz	ANKAQYPZIRXKEZ-HXUWFJFHSA-N	1	1	367.453	2.240	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c(-c2ccncc2)n1	ZINC000289074772	552262336	/nfs/dbraw/zinc/26/23/36/552262336.db2.gz	ANKAQYPZIRXKEZ-HXUWFJFHSA-N	1	1	367.453	2.240	20	30		FEEDMO
C[C@H](NS(=O)(=O)c1cncc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289462186	552325249	/nfs/dbraw/zinc/32/52/49/552325249.db2.gz	MDDMAVSRTSLTHZ-YJBOKZPZSA-N	1	1	370.478	2.142	20	30		FEEDMO
C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C	ZINC000289724499	552368349	/nfs/dbraw/zinc/36/83/49/552368349.db2.gz	PQLFHMWZOCPYAR-YJBOKZPZSA-N	1	1	371.533	2.492	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C	ZINC000289941626	552402994	/nfs/dbraw/zinc/40/29/94/552402994.db2.gz	VKOQOFSSBLVOSP-QWFCFKBJSA-N	1	1	370.497	2.117	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000290056310	552421309	/nfs/dbraw/zinc/42/13/09/552421309.db2.gz	IJQSQAQPEYTHGE-UHFFFAOYSA-N	1	1	362.493	2.317	20	30		FEEDMO
CN(CCCN(C)C(=O)C(C)(C)c1cc(F)cc(C#N)c1)CC[NH+](C)C	ZINC000290056310	552421310	/nfs/dbraw/zinc/42/13/10/552421310.db2.gz	IJQSQAQPEYTHGE-UHFFFAOYSA-N	1	1	362.493	2.317	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1	ZINC000290246413	552447692	/nfs/dbraw/zinc/44/76/92/552447692.db2.gz	ZRUNRDIDCLREJW-GOSISDBHSA-N	1	1	352.438	2.301	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)C[C@H]1C	ZINC000500934569	561586038	/nfs/dbraw/zinc/58/60/38/561586038.db2.gz	JKSAUIKOKHFJDL-CJNGLKHVSA-N	1	1	353.463	2.332	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F	ZINC000290764526	552533935	/nfs/dbraw/zinc/53/39/35/552533935.db2.gz	KMLMKPUREOUEJU-RDTXWAMCSA-N	1	1	370.428	2.111	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1	ZINC000290895127	552557569	/nfs/dbraw/zinc/55/75/69/552557569.db2.gz	VGDIMYYGGTXZHV-ROUUACIJSA-N	1	1	366.396	2.197	20	30		FEEDMO
CC1(C)OCC(CO)([NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)CO1	ZINC000291264510	552607923	/nfs/dbraw/zinc/60/79/23/552607923.db2.gz	XHIBSSGHUUADJC-UHFFFAOYSA-N	1	1	359.344	2.040	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1(C#N)CCCCC1	ZINC000292105771	552694353	/nfs/dbraw/zinc/69/43/53/552694353.db2.gz	GUJVJENDNNEILK-KRWDZBQOSA-N	1	1	367.453	2.091	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1(C#N)CCCCC1	ZINC000292105771	552694355	/nfs/dbraw/zinc/69/43/55/552694355.db2.gz	GUJVJENDNNEILK-KRWDZBQOSA-N	1	1	367.453	2.091	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292137767	552697514	/nfs/dbraw/zinc/69/75/14/552697514.db2.gz	JGPMUGZYVVZZLY-YJBOKZPZSA-N	1	1	350.422	2.111	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292137767	552697515	/nfs/dbraw/zinc/69/75/15/552697515.db2.gz	JGPMUGZYVVZZLY-YJBOKZPZSA-N	1	1	350.422	2.111	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](C)C2)C1	ZINC000292195774	552703483	/nfs/dbraw/zinc/70/34/83/552703483.db2.gz	RTXQMHXCAMAZKG-UTKZUKDTSA-N	1	1	370.497	2.358	20	30		FEEDMO
Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292218032	552705420	/nfs/dbraw/zinc/70/54/20/552705420.db2.gz	OVIVWYPRQUNPCG-IBGZPJMESA-N	1	1	364.449	2.074	20	30		FEEDMO
Cc1ccccc1CCNC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292218032	552705421	/nfs/dbraw/zinc/70/54/21/552705421.db2.gz	OVIVWYPRQUNPCG-IBGZPJMESA-N	1	1	364.449	2.074	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292292423	552712979	/nfs/dbraw/zinc/71/29/79/552712979.db2.gz	UHCOBFNNVRPKTQ-NVXWUHKLSA-N	1	1	367.453	2.138	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292292423	552712980	/nfs/dbraw/zinc/71/29/80/552712980.db2.gz	UHCOBFNNVRPKTQ-NVXWUHKLSA-N	1	1	367.453	2.138	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292387019	552722029	/nfs/dbraw/zinc/72/20/29/552722029.db2.gz	ZMGVTFIOVCKLOA-YOEHRIQHSA-N	1	1	368.412	2.250	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292387019	552722030	/nfs/dbraw/zinc/72/20/30/552722030.db2.gz	ZMGVTFIOVCKLOA-YOEHRIQHSA-N	1	1	368.412	2.250	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292601885	552742126	/nfs/dbraw/zinc/74/21/26/552742126.db2.gz	NCYGXYVRMASBJM-QZTJIDSGSA-N	1	1	371.485	2.094	20	30		FEEDMO
COCCN(C)c1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cn1	ZINC000292712270	552751731	/nfs/dbraw/zinc/75/17/31/552751731.db2.gz	DIKJILVZKZPMLX-SFHVURJKSA-N	1	1	367.453	2.084	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2nc(C(C)C)sc2c1	ZINC000293520657	552831934	/nfs/dbraw/zinc/83/19/34/552831934.db2.gz	YWBWCULDPSIFOA-UHFFFAOYSA-N	1	1	372.494	2.430	20	30		FEEDMO
C#CCNC(=O)CC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C	ZINC000293838837	552861201	/nfs/dbraw/zinc/86/12/01/552861201.db2.gz	QKEYKCSLYFHJEC-SUMWQHHRSA-N	1	1	365.271	2.350	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C	ZINC000293838837	552861203	/nfs/dbraw/zinc/86/12/03/552861203.db2.gz	QKEYKCSLYFHJEC-SUMWQHHRSA-N	1	1	365.271	2.350	20	30		FEEDMO
CSc1ccc([C@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)[NH+](C)C)cc1	ZINC000294249422	552891293	/nfs/dbraw/zinc/89/12/93/552891293.db2.gz	UNEFVLQMZJMVTR-BBRMVZONSA-N	1	1	370.544	2.080	20	30		FEEDMO
C[C@H](CNC(=O)c1ccc(Br)cc1C#N)C[NH+]1CCOCC1	ZINC000294806505	552935673	/nfs/dbraw/zinc/93/56/73/552935673.db2.gz	CGOABIDRLINEDW-GFCCVEGCSA-N	1	1	366.259	2.019	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(Cc3ccc4c(c3)NC(=O)CO4)CC2)cc1	ZINC000294911857	552943705	/nfs/dbraw/zinc/94/37/05/552943705.db2.gz	NIMQUTOFUNWSGJ-UHFFFAOYSA-N	1	1	362.433	2.207	20	30		FEEDMO
CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000295096799	552958803	/nfs/dbraw/zinc/95/88/03/552958803.db2.gz	JWSBDILYIOSYJR-KRWDZBQOSA-N	1	1	353.426	2.231	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2	ZINC000295115686	552960380	/nfs/dbraw/zinc/96/03/80/552960380.db2.gz	JBMGDGXAHMEZQO-HKUYNNGSSA-N	1	1	374.529	2.429	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](C)C[C@H](O)c1ccccc1Br	ZINC000295256323	552976681	/nfs/dbraw/zinc/97/66/81/552976681.db2.gz	GKHWWDCBKAABBQ-HNNXBMFYSA-N	1	1	368.275	2.176	20	30		FEEDMO
N#Cc1cc(Br)ccc1CN1CCC[C@@H](c2n[nH]c(=O)o2)C1	ZINC000295333168	552989199	/nfs/dbraw/zinc/98/91/99/552989199.db2.gz	MOSSIPHUIXWGNY-LLVKDONJSA-N	1	1	363.215	2.377	20	30		FEEDMO
N#CCc1ccc(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1	ZINC000296414552	553155641	/nfs/dbraw/zinc/15/56/41/553155641.db2.gz	RWFCTJWIAMZMLH-HXUWFJFHSA-N	1	1	364.449	2.293	20	30		FEEDMO
CO[C@@H](Cc1ccccc1)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000296723382	553203049	/nfs/dbraw/zinc/20/30/49/553203049.db2.gz	HRTTTXJJKQZFDU-WMZOPIPTSA-N	1	1	351.454	2.116	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000296791838	553212104	/nfs/dbraw/zinc/21/21/04/553212104.db2.gz	GNUAVZGSZAJOSC-UHFFFAOYSA-N	1	1	362.499	2.408	20	30		FEEDMO
C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)N1CCC(C(=O)OC)CC1	ZINC000298333856	553413653	/nfs/dbraw/zinc/41/36/53/553413653.db2.gz	ZVUDKMOTLHBYJS-MRXNPFEDSA-N	1	1	374.481	2.483	20	30		FEEDMO
C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)N1CCC(C(=O)OC)CC1	ZINC000298333856	553413654	/nfs/dbraw/zinc/41/36/54/553413654.db2.gz	ZVUDKMOTLHBYJS-MRXNPFEDSA-N	1	1	374.481	2.483	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)[C@H]1CCNC1=O	ZINC000298419107	553423038	/nfs/dbraw/zinc/42/30/38/553423038.db2.gz	FUMPNMLYFFAJSL-WFASDCNBSA-N	1	1	374.510	2.284	20	30		FEEDMO
N#Cc1ccc(CNC(=O)CN2CCC[N@@H+](Cc3ccccc3)CC2)cc1	ZINC000298464509	553427996	/nfs/dbraw/zinc/42/79/96/553427996.db2.gz	MZJFRQHEZGPORO-UHFFFAOYSA-N	1	1	362.477	2.382	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1	ZINC000298504678	553433679	/nfs/dbraw/zinc/43/36/79/553433679.db2.gz	YNTVECPKNLTXAP-IBGZPJMESA-N	1	1	370.497	2.097	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000298766646	553470159	/nfs/dbraw/zinc/47/01/59/553470159.db2.gz	ZIHGRGWECWZOOY-APWZRJJASA-N	1	1	357.502	2.190	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1	ZINC000299221132	553532569	/nfs/dbraw/zinc/53/25/69/553532569.db2.gz	KKAGBBFSTUBBQN-UHFFFAOYSA-N	1	1	355.360	2.165	20	30		FEEDMO
C#CCNC(=O)c1ccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)nc1	ZINC000301323916	553642542	/nfs/dbraw/zinc/64/25/42/553642542.db2.gz	WXPGFHYXSGECKT-LPHOPBHVSA-N	1	1	363.465	2.162	20	30		FEEDMO
C[C@@H](CNc1nccc(C#N)c1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1	ZINC000301618835	553666136	/nfs/dbraw/zinc/66/61/36/553666136.db2.gz	DGDIOJLYDIKOAJ-HNNXBMFYSA-N	1	1	366.425	2.484	20	30		FEEDMO
C[C@@](O)(CNc1c(C#N)cnc2ccc(Cl)cc21)C[NH+]1CCOCC1	ZINC000301734908	553675408	/nfs/dbraw/zinc/67/54/08/553675408.db2.gz	ATKPJJCLAUMCJM-GOSISDBHSA-N	1	1	360.845	2.255	20	30		FEEDMO
N#Cc1ccc2nc(N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)ccc2c1	ZINC000603423142	553784863	/nfs/dbraw/zinc/78/48/63/553784863.db2.gz	MKSRWWRXASRWJT-LJQANCHMSA-N	1	1	365.481	2.315	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1	ZINC000328473160	553794308	/nfs/dbraw/zinc/79/43/08/553794308.db2.gz	DSWYAOJZHBNVJD-QRVBRYPASA-N	1	1	362.495	2.347	20	30		FEEDMO
O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](Cn2ccnn2)C1	ZINC000328660753	553803776	/nfs/dbraw/zinc/80/37/76/553803776.db2.gz	VXFOPFGLUFCTEC-RBUKOAKNSA-N	1	1	368.485	2.179	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(c3ccccc3OC)C2=O)C1	ZINC000328697957	553808654	/nfs/dbraw/zinc/80/86/54/553808654.db2.gz	HIKHVAMDVYHCKX-HZPDHXFCSA-N	1	1	374.485	2.036	20	30		FEEDMO
O=C(N[C@@H]1CCCC12CCOCC2)N1CCCC[C@H]1C[NH+]1CCOCC1	ZINC000328698979	553809359	/nfs/dbraw/zinc/80/93/59/553809359.db2.gz	HXWZJBHRJDWTNV-ZWKOTPCHSA-N	1	1	365.518	2.436	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)c2cnc([C@@H]3CCCO3)s2)CC1(C)C	ZINC000328717819	553811827	/nfs/dbraw/zinc/81/18/27/553811827.db2.gz	PMJQVNDOWZZBBQ-ZDUSSCGKSA-N	1	1	352.504	2.325	20	30		FEEDMO
O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[C@@](F)(CO)C1	ZINC000328718254	553811844	/nfs/dbraw/zinc/81/18/44/553811844.db2.gz	UYPMQAOZMJAQHJ-PBHICJAKSA-N	1	1	355.479	2.280	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)C1	ZINC000328728298	553813053	/nfs/dbraw/zinc/81/30/53/553813053.db2.gz	VNBOTXXGHLXMAQ-QGZVFWFLSA-N	1	1	374.533	2.298	20	30		FEEDMO
C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000328846689	553831709	/nfs/dbraw/zinc/83/17/09/553831709.db2.gz	VPCQYOYLVOHKIG-XLNGHYISSA-N	1	1	352.500	2.497	20	30		FEEDMO
C[NH+]1CCN([C@H](C(=O)N2CCc3ccc(C#N)cc32)c2ccccc2)CC1	ZINC000328879012	553837440	/nfs/dbraw/zinc/83/74/40/553837440.db2.gz	VABLDJPBROJWQN-NRFANRHFSA-N	1	1	360.461	2.436	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)C1	ZINC000328966411	553855271	/nfs/dbraw/zinc/85/52/71/553855271.db2.gz	SOGZAWYDDMRNEZ-GVDBMIGSSA-N	1	1	366.506	2.088	20	30		FEEDMO
Cc1noc([C@H]2CC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000329014296	553864712	/nfs/dbraw/zinc/86/47/12/553864712.db2.gz	FSYQEHWQRNHOFM-RDJZCZTQSA-N	1	1	351.410	2.235	20	30		FEEDMO
Cc1noc([C@H]2CC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000329014296	553864715	/nfs/dbraw/zinc/86/47/15/553864715.db2.gz	FSYQEHWQRNHOFM-RDJZCZTQSA-N	1	1	351.410	2.235	20	30		FEEDMO
CC(=O)N[C@H](C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)C1CCCC1	ZINC000329029385	553867659	/nfs/dbraw/zinc/86/76/59/553867659.db2.gz	PFHFFVXBRKKJPW-KSSFIOAISA-N	1	1	351.491	2.233	20	30		FEEDMO
C[N@H+]1CC[C@@H]2OCCN(CC(=O)Nc3nc4c(s3)CCCC4)[C@@H]2C1	ZINC000329030501	553867990	/nfs/dbraw/zinc/86/79/90/553867990.db2.gz	PMPWIEHFQDQTCW-KGLIPLIRSA-N	1	1	350.488	2.015	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cnn2c1[nH]c(=O)c1ccccc12	ZINC000329066446	553874539	/nfs/dbraw/zinc/87/45/39/553874539.db2.gz	LLKWGNUSKGFMOQ-GDBMZVCRSA-N	1	1	351.410	2.107	20	30		FEEDMO
O=C(C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1)NC(=O)NC1CC1	ZINC000329114245	553882911	/nfs/dbraw/zinc/88/29/11/553882911.db2.gz	LUIXCKNXPJBOMY-OAHLLOKOSA-N	1	1	362.474	2.134	20	30		FEEDMO
C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000329115156	553882928	/nfs/dbraw/zinc/88/29/28/553882928.db2.gz	MMANITSPUMAJAY-ICUGJSFKSA-N	1	1	353.507	2.432	20	30		FEEDMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1	ZINC000329204455	553901704	/nfs/dbraw/zinc/90/17/04/553901704.db2.gz	YWFQSSUIXITEMU-HOTGVXAUSA-N	1	1	350.507	2.108	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)c2csc(NC3CC3)n2)CCC[N@H+]1C	ZINC000329212416	553903720	/nfs/dbraw/zinc/90/37/20/553903720.db2.gz	ZWFCNGPIHBMYNV-BLLLJJGKSA-N	1	1	374.514	2.839	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)[C@H]1c1ccccc1	ZINC000329297906	553920289	/nfs/dbraw/zinc/92/02/89/553920289.db2.gz	UBJDRUUUQAYPKR-ZSYWTGECSA-N	1	1	359.470	2.226	20	30		FEEDMO
O=C(NC[C@H]1CC(=O)N(C2CC2)C1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1	ZINC000329476560	553953720	/nfs/dbraw/zinc/95/37/20/553953720.db2.gz	BOAPDKDHUWTDJG-FOIQADDNSA-N	1	1	371.481	2.152	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)C[C@H](C)O1	ZINC000329496278	553957732	/nfs/dbraw/zinc/95/77/32/553957732.db2.gz	DTPJOIDPPYSGQW-QHHYFVSCSA-N	1	1	353.507	2.335	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)C[C@H](C)O1	ZINC000329496278	553957733	/nfs/dbraw/zinc/95/77/33/553957733.db2.gz	DTPJOIDPPYSGQW-QHHYFVSCSA-N	1	1	353.507	2.335	20	30		FEEDMO
C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H]1CCCC12CCOCC2	ZINC000329504475	553959026	/nfs/dbraw/zinc/95/90/26/553959026.db2.gz	ACNDAJOGLWEDPY-ZACQAIPSSA-N	1	1	351.491	2.045	20	30		FEEDMO
Cc1cc(N2C[C@H](C(=O)NCC[NH+]3CCSCC3)CC2=O)ccc1F	ZINC000329531831	553962942	/nfs/dbraw/zinc/96/29/42/553962942.db2.gz	WSGNJGOPXBKCNR-CQSZACIVSA-N	1	1	365.474	2.492	20	30		FEEDMO
CCCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@]3(C)CCOC3)CC2)cn1	ZINC000329558388	553967609	/nfs/dbraw/zinc/96/76/09/553967609.db2.gz	IBJAPKNQCGEWFU-LJQANCHMSA-N	1	1	363.506	2.141	20	30		FEEDMO
CCCn1cc(C[N@H+]2CCCN(C(=O)NC[C@@]3(C)CCOC3)CC2)cn1	ZINC000329558388	553967610	/nfs/dbraw/zinc/96/76/10/553967610.db2.gz	IBJAPKNQCGEWFU-LJQANCHMSA-N	1	1	363.506	2.141	20	30		FEEDMO
O=C(Nc1ccccc1C[NH+]1CCSCC1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1	ZINC000329582033	553971301	/nfs/dbraw/zinc/97/13/01/553971301.db2.gz	VHPAIUYITAGQRD-QILLFSRXSA-N	1	1	361.511	2.484	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCCS2)CC1	ZINC000329686340	553988563	/nfs/dbraw/zinc/98/85/63/553988563.db2.gz	AGWTUMIOFHGMPO-INIZCTEOSA-N	1	1	370.563	2.062	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@@H]2CCCCS2)CC1	ZINC000329686340	553988564	/nfs/dbraw/zinc/98/85/64/553988564.db2.gz	AGWTUMIOFHGMPO-INIZCTEOSA-N	1	1	370.563	2.062	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000329709111	553993010	/nfs/dbraw/zinc/99/30/10/553993010.db2.gz	LKUKFRWGAMXPTE-UKRRQHHQSA-N	1	1	365.499	2.223	20	30		FEEDMO
Cc1cc2c(cc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)OCO2	ZINC000329711370	553993512	/nfs/dbraw/zinc/99/35/12/553993512.db2.gz	OMLAQHFOJONGNN-OAHLLOKOSA-N	1	1	361.442	2.456	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC[N@H+]1C	ZINC000329720822	553994660	/nfs/dbraw/zinc/99/46/60/553994660.db2.gz	MWJDSGPOKQINTH-RBSFLKMASA-N	1	1	373.453	2.250	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O	ZINC000329805257	554009198	/nfs/dbraw/zinc/00/91/98/554009198.db2.gz	MUVBFBBAYFDWPK-GUDVDZBRSA-N	1	1	370.497	2.260	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1	ZINC000329812010	554010291	/nfs/dbraw/zinc/01/02/91/554010291.db2.gz	CXMJWDUIZZIJCB-KBPBESRZSA-N	1	1	373.457	2.234	20	30		FEEDMO
CN1C[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCC1=O	ZINC000329823148	554013058	/nfs/dbraw/zinc/01/30/58/554013058.db2.gz	ZJCZFDCECIUOLU-JJRVBVJISA-N	1	1	364.515	2.255	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)C1	ZINC000329829642	554014103	/nfs/dbraw/zinc/01/41/03/554014103.db2.gz	SDXWBKFSOYJPGK-HLLBOEOZSA-N	1	1	374.460	2.261	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CSc1nnnn1C1CCCC1	ZINC000329846345	554017717	/nfs/dbraw/zinc/01/77/17/554017717.db2.gz	QRBWFCBXTMHCMJ-RISCZKNCSA-N	1	1	350.492	2.320	20	30		FEEDMO
O=C(NCCc1cn2c(n1)SCC2)N1CCC[N@H+](C2CCCC2)CC1	ZINC000329849499	554018477	/nfs/dbraw/zinc/01/84/77/554018477.db2.gz	NSSZSGUUWGFPQJ-UHFFFAOYSA-N	1	1	363.531	2.396	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1	ZINC000329888873	554025046	/nfs/dbraw/zinc/02/50/46/554025046.db2.gz	ZMROKFFTYMKLRX-IXDOHACOSA-N	1	1	353.507	2.479	20	30		FEEDMO
CSC1(C(=O)NC[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)CC1	ZINC000329894292	554026035	/nfs/dbraw/zinc/02/60/35/554026035.db2.gz	BEXNJSVYVKXOLM-RYUDHWBXSA-N	1	1	353.467	2.312	20	30		FEEDMO
CCO[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](C(C)C)CC2)C12CCOCC2	ZINC000329915941	554030992	/nfs/dbraw/zinc/03/09/92/554030992.db2.gz	DKUGEVNMJYJLGS-IAGOWNOFSA-N	1	1	353.507	2.291	20	30		FEEDMO
CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CCc2[nH+]ccn2C1	ZINC000329953033	554037980	/nfs/dbraw/zinc/03/79/80/554037980.db2.gz	NALZLJTYWPUPIP-KGLIPLIRSA-N	1	1	357.462	2.199	20	30		FEEDMO
CC(C)c1nc2n(n1)CCC[C@@H]2NC([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1	ZINC000329953033	554037982	/nfs/dbraw/zinc/03/79/82/554037982.db2.gz	NALZLJTYWPUPIP-KGLIPLIRSA-N	1	1	357.462	2.199	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329958399	554038903	/nfs/dbraw/zinc/03/89/03/554038903.db2.gz	QPFRIQKLENJAPX-CEXWTWQISA-N	1	1	365.481	2.176	20	30		FEEDMO
O=C(N[C@@H]1CCn2ccnc2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329958399	554038905	/nfs/dbraw/zinc/03/89/05/554038905.db2.gz	QPFRIQKLENJAPX-CEXWTWQISA-N	1	1	365.481	2.176	20	30		FEEDMO
O=C(N[C@@H]1CCn2ccnc2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329958399	554038908	/nfs/dbraw/zinc/03/89/08/554038908.db2.gz	QPFRIQKLENJAPX-CEXWTWQISA-N	1	1	365.481	2.176	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)C1	ZINC000329997807	554046705	/nfs/dbraw/zinc/04/67/05/554046705.db2.gz	RDQAHPPLELPRMT-GJYPPUQNSA-N	1	1	353.507	2.291	20	30		FEEDMO
CCN(C(=O)N[C@@H]1CCN(C(C)=O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000330007666	554048446	/nfs/dbraw/zinc/04/84/46/554048446.db2.gz	DTSXMVSZPBIOOH-RTBURBONSA-N	1	1	358.486	2.118	20	30		FEEDMO
O=C(Cn1cc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)cn1)NC1CCCC1	ZINC000330008452	554048454	/nfs/dbraw/zinc/04/84/54/554048454.db2.gz	FLMPHEBFLYOXAF-INIZCTEOSA-N	1	1	360.462	2.108	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)C1	ZINC000330076148	554060058	/nfs/dbraw/zinc/06/00/58/554060058.db2.gz	DOKJVPHWNIAATN-MOPGFXCFSA-N	1	1	372.513	2.331	20	30		FEEDMO
C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000330128410	554069871	/nfs/dbraw/zinc/06/98/71/554069871.db2.gz	NOQTVOFYRDCWLB-ATZDWAIDSA-N	1	1	370.497	2.072	20	30		FEEDMO
CS(=O)(=O)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1	ZINC000330170500	554077702	/nfs/dbraw/zinc/07/77/02/554077702.db2.gz	BTDOQOUEKIXRAR-WBVHZDCISA-N	1	1	371.547	2.064	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CCc3c2cccc3O)C[C@@H]1[NH+]1CCOCC1	ZINC000330231305	554089980	/nfs/dbraw/zinc/08/99/80/554089980.db2.gz	QYDKFIVFYCBOJN-OLMNPRSZSA-N	1	1	359.470	2.336	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C	ZINC000330238509	554091005	/nfs/dbraw/zinc/09/10/05/554091005.db2.gz	HXLWXRVPWFUIHZ-BASYENTBSA-N	1	1	361.490	2.016	20	30		FEEDMO
CC(C)CN1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)[C@@H](C)C1=O	ZINC000330243092	554091739	/nfs/dbraw/zinc/09/17/39/554091739.db2.gz	CJZZAZOERGCRHY-IRXDYDNUSA-N	1	1	352.523	2.210	20	30		FEEDMO
CN(C([O-])=[NH+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1Cc2ccccc2C1	ZINC000330245257	554092237	/nfs/dbraw/zinc/09/22/37/554092237.db2.gz	XQDZEJBUXZVYLD-UXHICEINSA-N	1	1	357.498	2.377	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)N(C)CCO3)C[C@H]1[NH+]1CCOCC1	ZINC000330256153	554094190	/nfs/dbraw/zinc/09/41/90/554094190.db2.gz	KKGBLRKOZQBPEO-CRAIPNDOSA-N	1	1	374.485	2.103	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)CC[N@H+]1C	ZINC000330257979	554094703	/nfs/dbraw/zinc/09/47/03/554094703.db2.gz	RAMBWVLPFHNGLD-NUJGCVRESA-N	1	1	353.507	2.433	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](Oc3ncccc3F)C2)C1	ZINC000330261556	554095506	/nfs/dbraw/zinc/09/55/06/554095506.db2.gz	PELKIBCEVJBKAY-LSDHHAIUSA-N	1	1	350.438	2.462	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cnn(CCO)c1-c1ccccc1	ZINC000330324757	554105341	/nfs/dbraw/zinc/10/53/41/554105341.db2.gz	ITCRONZTYGEMQH-MSOLQXFVSA-N	1	1	354.454	2.474	20	30		FEEDMO
CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000507845911	561743053	/nfs/dbraw/zinc/74/30/53/561743053.db2.gz	AGZPFYJJEKGEMY-OAHLLOKOSA-N	1	1	372.469	2.272	20	30		FEEDMO
CNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1	ZINC000330375228	554112841	/nfs/dbraw/zinc/11/28/41/554112841.db2.gz	COOUXPBDQHWFGJ-CQSZACIVSA-N	1	1	353.488	2.020	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1	ZINC000330416546	554118730	/nfs/dbraw/zinc/11/87/30/554118730.db2.gz	BAVKENBSVFKKGF-SJORKVTESA-N	1	1	352.523	2.117	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](CNC(N)=O)C2)C1	ZINC000330484994	554127505	/nfs/dbraw/zinc/12/75/05/554127505.db2.gz	ZEQDFSMFFAIXGX-HUUCEWRRSA-N	1	1	353.511	2.205	20	30		FEEDMO
Cc1ccc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1S(C)(=O)=O	ZINC000330497691	554129614	/nfs/dbraw/zinc/12/96/14/554129614.db2.gz	YNNFGFZVUCAFQI-INIZCTEOSA-N	1	1	371.528	2.162	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)[C@H](C)C1	ZINC000330541961	554135575	/nfs/dbraw/zinc/13/55/75/554135575.db2.gz	WTFKNCWAJQKVNR-MNOVXSKESA-N	1	1	361.364	2.360	20	30		FEEDMO
CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(CS(C)(=O)=O)c1	ZINC000330758438	554167547	/nfs/dbraw/zinc/16/75/47/554167547.db2.gz	LNZUWYPFIYDXGU-INIZCTEOSA-N	1	1	353.488	2.049	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C[N@H+]3CCC[C@@H](C)C3)cc2C1=O	ZINC000508312287	561758553	/nfs/dbraw/zinc/75/85/53/561758553.db2.gz	DEIKHNQZDSXXNY-CABCVRRESA-N	1	1	369.465	2.319	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000508319833	561758770	/nfs/dbraw/zinc/75/87/70/561758770.db2.gz	QYDSOHANXFHYHL-IBGZPJMESA-N	1	1	372.513	2.104	20	30		FEEDMO
COc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c(OC)c1OC	ZINC000330884359	554183015	/nfs/dbraw/zinc/18/30/15/554183015.db2.gz	KPSSLWHECBBJQF-OAHLLOKOSA-N	1	1	365.474	2.398	20	30		FEEDMO
Cc1c(CS(C)(=O)=O)cccc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C	ZINC000330897404	554184688	/nfs/dbraw/zinc/18/46/88/554184688.db2.gz	UEUHHXSNRLWUID-UONOGXRCSA-N	1	1	353.488	2.110	20	30		FEEDMO
CCNC(=O)[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000330936749	554191156	/nfs/dbraw/zinc/19/11/56/554191156.db2.gz	SYUYGCOUGWSTMF-YDHLFZDLSA-N	1	1	352.504	2.159	20	30		FEEDMO
COc1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1OC(C)C	ZINC000330975584	554196046	/nfs/dbraw/zinc/19/60/46/554196046.db2.gz	HGWOVTXBWRHFII-LSDHHAIUSA-N	1	1	365.474	2.415	20	30		FEEDMO
C=CCn1c(C)nnc1N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1	ZINC000508706885	561770347	/nfs/dbraw/zinc/77/03/47/561770347.db2.gz	RIOUDJYJCSKFRF-FUHWJXTLSA-N	1	1	357.506	2.415	20	30		FEEDMO
C[C@H]1CN(C(=O)NCCc2cc(F)c(F)c(F)c2)CC[N@H+]1CC(C)(C)O	ZINC000331215954	554232429	/nfs/dbraw/zinc/23/24/29/554232429.db2.gz	DIEFEGNMMWHFDB-LBPRGKRZSA-N	1	1	373.419	2.337	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCc1cc(F)c(F)c(F)c1	ZINC000331220097	554232941	/nfs/dbraw/zinc/23/29/41/554232941.db2.gz	IYDSHAIGQUNOCL-LBPRGKRZSA-N	1	1	373.419	2.337	20	30		FEEDMO
Cc1cc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c(C#N)cc1N(C)C	ZINC000331250722	554236471	/nfs/dbraw/zinc/23/64/71/554236471.db2.gz	ZWAGTXDHXFAOCK-UHFFFAOYSA-N	1	1	372.517	2.285	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[N@@H+]1C1CC1	ZINC000331436120	554264662	/nfs/dbraw/zinc/26/46/62/554264662.db2.gz	CTGRDUYVKSCLEL-CMPLNLGQSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[N@H+]1C1CC1	ZINC000331436120	554264663	/nfs/dbraw/zinc/26/46/63/554264663.db2.gz	CTGRDUYVKSCLEL-CMPLNLGQSA-N	1	1	373.400	2.481	20	30		FEEDMO
C=CCn1c(Cc2ccccc2C)nnc1N1CC[NH+](CCOC)CC1	ZINC000508930409	561778720	/nfs/dbraw/zinc/77/87/20/561778720.db2.gz	LGBOQTIVHAWHTM-UHFFFAOYSA-N	1	1	355.486	2.132	20	30		FEEDMO
C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1	ZINC000332012096	554363324	/nfs/dbraw/zinc/36/33/24/554363324.db2.gz	ZXFVSFYLLOELFP-QGZVFWFLSA-N	1	1	354.498	2.318	20	30		FEEDMO
C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000332464993	554450814	/nfs/dbraw/zinc/45/08/14/554450814.db2.gz	QEOHZVJJHUPKTO-JSGCOSHPSA-N	1	1	360.845	2.235	20	30		FEEDMO
C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000332464993	554450816	/nfs/dbraw/zinc/45/08/16/554450816.db2.gz	QEOHZVJJHUPKTO-JSGCOSHPSA-N	1	1	360.845	2.235	20	30		FEEDMO
Cc1c(C#N)cccc1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1	ZINC000510132316	561826294	/nfs/dbraw/zinc/82/62/94/561826294.db2.gz	SQXCMWMJPHEELI-MRXNPFEDSA-N	1	1	363.465	2.202	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N=c1[nH]n(C)cc1C#N	ZINC000610563516	554530148	/nfs/dbraw/zinc/53/01/48/554530148.db2.gz	HAPKEEQJPZGUBR-PBHICJAKSA-N	1	1	352.442	2.324	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N=c1[nH]n(C)cc1C#N	ZINC000610563516	554530152	/nfs/dbraw/zinc/53/01/52/554530152.db2.gz	HAPKEEQJPZGUBR-PBHICJAKSA-N	1	1	352.442	2.324	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000333357290	554605694	/nfs/dbraw/zinc/60/56/94/554605694.db2.gz	STXDJDUNYDQGSQ-OAHLLOKOSA-N	1	1	361.877	2.137	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N([C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1=O	ZINC000348550892	554688183	/nfs/dbraw/zinc/68/81/83/554688183.db2.gz	JASGPGLSJWVGIV-CXAGYDPISA-N	1	1	354.410	2.365	20	30		FEEDMO
C[C@H](CC[NH+]1CCOCC1)NC(=O)CCCCOc1cccc(C#N)c1	ZINC000511062040	561855193	/nfs/dbraw/zinc/85/51/93/561855193.db2.gz	JQJFZOCGCWUSAP-QGZVFWFLSA-N	1	1	359.470	2.334	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2nc(C)cs2)C1	ZINC000360292377	554869872	/nfs/dbraw/zinc/86/98/72/554869872.db2.gz	QTHMNXZQHZNHAO-HNNXBMFYSA-N	1	1	362.499	2.303	20	30		FEEDMO
CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000362107619	554950800	/nfs/dbraw/zinc/95/08/00/554950800.db2.gz	XBZJQPRQKKONIF-QGZVFWFLSA-N	1	1	359.495	2.319	20	30		FEEDMO
COCC[N@H+]1CCCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1	ZINC000362143063	554952658	/nfs/dbraw/zinc/95/26/58/554952658.db2.gz	SODQUCIHAJRGMR-LJQANCHMSA-N	1	1	359.470	2.142	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1cnc2ccc(C#N)cn12	ZINC000363236021	555060826	/nfs/dbraw/zinc/06/08/26/555060826.db2.gz	IYQMEYVEJXOKOI-LZQZEXGQSA-N	1	1	353.470	2.185	20	30		FEEDMO
C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000363236021	555060827	/nfs/dbraw/zinc/06/08/27/555060827.db2.gz	IYQMEYVEJXOKOI-LZQZEXGQSA-N	1	1	353.470	2.185	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1	ZINC000363525910	555128267	/nfs/dbraw/zinc/12/82/67/555128267.db2.gz	UHDLIWAAMCRJPZ-QZTJIDSGSA-N	1	1	366.396	2.197	20	30		FEEDMO
C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1	ZINC000363525910	555128268	/nfs/dbraw/zinc/12/82/68/555128268.db2.gz	UHDLIWAAMCRJPZ-QZTJIDSGSA-N	1	1	366.396	2.197	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCC#Cc2cccc(F)c2)C[C@H](C)O1	ZINC000512183390	561894997	/nfs/dbraw/zinc/89/49/97/561894997.db2.gz	KKPYFQDZRHKRAY-IYBDPMFKSA-N	1	1	361.461	2.364	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCC#Cc2cccc(F)c2)C[C@H](C)O1	ZINC000512183390	561894998	/nfs/dbraw/zinc/89/49/98/561894998.db2.gz	KKPYFQDZRHKRAY-IYBDPMFKSA-N	1	1	361.461	2.364	20	30		FEEDMO
C=C(C)C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(CO)o1	ZINC000512229185	561896629	/nfs/dbraw/zinc/89/66/29/561896629.db2.gz	QJUXBMBCOZFPSL-UHFFFAOYSA-N	1	1	371.437	2.278	20	30		FEEDMO
Cc1cc(CN2CCC([N@@H+](C)CC(=O)Nc3ccc(C#N)cc3)CC2)on1	ZINC000364193991	555267177	/nfs/dbraw/zinc/26/71/77/555267177.db2.gz	ZTOACSIFHGMZJQ-UHFFFAOYSA-N	1	1	367.453	2.390	20	30		FEEDMO
Cc1cc(C[NH+]2CCC(N(C)CC(=O)Nc3ccc(C#N)cc3)CC2)on1	ZINC000364193991	555267179	/nfs/dbraw/zinc/26/71/79/555267179.db2.gz	ZTOACSIFHGMZJQ-UHFFFAOYSA-N	1	1	367.453	2.390	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCOC2(CCOCC2)CC1)c1ccccc1	ZINC000364242589	555276871	/nfs/dbraw/zinc/27/68/71/555276871.db2.gz	QJKHOHYHWBDRTK-UHFFFAOYSA-N	1	1	357.454	2.205	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCOC2(CCOCC2)CC1)c1ccccc1	ZINC000364242589	555276873	/nfs/dbraw/zinc/27/68/73/555276873.db2.gz	QJKHOHYHWBDRTK-UHFFFAOYSA-N	1	1	357.454	2.205	20	30		FEEDMO
C=CCc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc(OC)c1OC	ZINC000364742405	555391216	/nfs/dbraw/zinc/39/12/16/555391216.db2.gz	KVNJMMIOPILSNE-QZTJIDSGSA-N	1	1	374.481	2.104	20	30		FEEDMO
CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1C	ZINC000364798578	555405702	/nfs/dbraw/zinc/40/57/02/555405702.db2.gz	LQBSKZHSITVEFD-INIZCTEOSA-N	1	1	365.437	2.255	20	30		FEEDMO
N#Cc1cnccc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F	ZINC000512710662	561913089	/nfs/dbraw/zinc/91/30/89/561913089.db2.gz	XHXAVJXMCPNSIT-MRXNPFEDSA-N	1	1	356.376	2.471	20	30		FEEDMO
C[NH+]1CCN(C(=O)C2CCN(c3ccc4cc(C#N)ccc4n3)CC2)CC1	ZINC000364903760	555431880	/nfs/dbraw/zinc/43/18/80/555431880.db2.gz	GEAGNPCETRCQIX-UHFFFAOYSA-N	1	1	363.465	2.097	20	30		FEEDMO
CN(C)c1cc[nH+]cc1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000364942389	555445058	/nfs/dbraw/zinc/44/50/58/555445058.db2.gz	GFLSNRILPLOIGN-UHFFFAOYSA-N	1	1	350.357	2.596	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000365222019	555515075	/nfs/dbraw/zinc/51/50/75/555515075.db2.gz	JQICTYHTJAYSKC-CVEARBPZSA-N	1	1	364.490	2.080	20	30		FEEDMO
C=CCNC(=O)C[NH2+][C@](C)(CC(=O)OC)c1ccc(Br)cc1	ZINC000513127539	561926255	/nfs/dbraw/zinc/92/62/55/561926255.db2.gz	JXOIXSNEDMYHBD-MRXNPFEDSA-N	1	1	369.259	2.119	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)C2)n1	ZINC000365768520	555663085	/nfs/dbraw/zinc/66/30/85/555663085.db2.gz	HAMFLEXAHIAGHJ-ZWKOTPCHSA-N	1	1	355.486	2.031	20	30		FEEDMO
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000366232706	555788163	/nfs/dbraw/zinc/78/81/63/555788163.db2.gz	GXEIVJCUYLRLHN-OALUTQOASA-N	1	1	356.470	2.343	20	30		FEEDMO
CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000366372905	555825720	/nfs/dbraw/zinc/82/57/20/555825720.db2.gz	DEVZXXSNVQOKIH-KRWDZBQOSA-N	1	1	363.483	2.176	20	30		FEEDMO
Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000366439822	555844179	/nfs/dbraw/zinc/84/41/79/555844179.db2.gz	OBJDRARZRLMNCY-GOSISDBHSA-N	1	1	350.422	2.031	20	30		FEEDMO
Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000366439822	555844181	/nfs/dbraw/zinc/84/41/81/555844181.db2.gz	OBJDRARZRLMNCY-GOSISDBHSA-N	1	1	350.422	2.031	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2cscn2)CC1	ZINC000514005500	561957823	/nfs/dbraw/zinc/95/78/23/561957823.db2.gz	LEZMPNHGMJGLSA-LJQANCHMSA-N	1	1	373.522	2.429	20	30		FEEDMO
N#Cc1ccc(S(N)(=O)=O)cc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000366818169	555942472	/nfs/dbraw/zinc/94/24/72/555942472.db2.gz	JUDARKSXZAVEOF-QGZVFWFLSA-N	1	1	370.478	2.282	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCC34CCCCC4)CC2)o1	ZINC000366986914	555990435	/nfs/dbraw/zinc/99/04/35/555990435.db2.gz	KCRKFSDLHZFCOL-UHFFFAOYSA-N	1	1	371.485	2.302	20	30		FEEDMO
C=CCN(C(=O)c1nc(C)c(C)[nH]c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000367199127	556003536	/nfs/dbraw/zinc/00/35/36/556003536.db2.gz	AZADMSWONBZXED-SFHVURJKSA-N	1	1	366.465	2.289	20	30		FEEDMO
N#C[C@@]1(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CCc2ccccc2C1	ZINC000367699569	556117997	/nfs/dbraw/zinc/11/79/97/556117997.db2.gz	QYVMDKLSZQYWJF-TZIWHRDSSA-N	1	1	355.482	2.038	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC3CCC2CC3)CC1	ZINC000367763316	556132593	/nfs/dbraw/zinc/13/25/93/556132593.db2.gz	KUHHFVHYUYVFMO-OFLPRAFFSA-N	1	1	358.511	2.331	20	30		FEEDMO
Cc1c[nH+]cn1C1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC1	ZINC000514935034	561987721	/nfs/dbraw/zinc/98/77/21/561987721.db2.gz	OYYWUTFLNKNYED-UHFFFAOYSA-N	1	1	358.467	2.425	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1	ZINC000368086386	556214791	/nfs/dbraw/zinc/21/47/91/556214791.db2.gz	XBMCINGQQMCYQV-IAGOWNOFSA-N	1	1	371.462	2.294	20	30		FEEDMO
Cc1oc(NC(=O)CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)c(C#N)c1C	ZINC000368418870	556303874	/nfs/dbraw/zinc/30/38/74/556303874.db2.gz	YZEQOJNHAWPSOL-RPVQJOFSSA-N	1	1	374.485	2.186	20	30		FEEDMO
Cc1cc(=NC(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)[nH]n1CCC#N	ZINC000368592907	556356706	/nfs/dbraw/zinc/35/67/06/556356706.db2.gz	RHDDXTMJXTWDJL-MRXNPFEDSA-N	1	1	358.490	3.024	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3cncn3)C2)cc1	ZINC000368871696	556434285	/nfs/dbraw/zinc/43/42/85/556434285.db2.gz	AYGSIYJTZPRWQU-SJLPKXTDSA-N	1	1	352.442	2.169	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](n3cncn3)C2)cc1	ZINC000368871696	556434288	/nfs/dbraw/zinc/43/42/88/556434288.db2.gz	AYGSIYJTZPRWQU-SJLPKXTDSA-N	1	1	352.442	2.169	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000368925304	556449701	/nfs/dbraw/zinc/44/97/01/556449701.db2.gz	QZXZJIOLVQXVMN-RTWAWAEBSA-N	1	1	360.498	2.311	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1	ZINC000369043671	556486455	/nfs/dbraw/zinc/48/64/55/556486455.db2.gz	BUQKJJRQBWZYCB-OAHLLOKOSA-N	1	1	367.453	2.371	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@@H]21	ZINC000369116832	556508628	/nfs/dbraw/zinc/50/86/28/556508628.db2.gz	OCJYRLJMVLEIBF-ABAIWWIYSA-N	1	1	373.400	2.292	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2coc(-c3ccc(F)c(F)c3)n2)CC1	ZINC000369368911	556582401	/nfs/dbraw/zinc/58/24/01/556582401.db2.gz	CSEAOUOCRFREPL-UHFFFAOYSA-N	1	1	359.376	2.330	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(O)(Cc2ccc(C)cc2)CC1	ZINC000369376283	556584669	/nfs/dbraw/zinc/58/46/69/556584669.db2.gz	UFAMEDUOZLKDCM-SFHVURJKSA-N	1	1	357.498	2.373	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CCN1CCC[N@H+](C2CCOCC2)CC1	ZINC000369553302	556629633	/nfs/dbraw/zinc/62/96/33/556629633.db2.gz	YCFVQOHIEPMYME-UHFFFAOYSA-N	1	1	356.470	2.074	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000516243641	562037181	/nfs/dbraw/zinc/03/71/81/562037181.db2.gz	TXCVEILKMJDECJ-HNAYVOBHSA-N	1	1	352.438	2.214	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000516243641	562037182	/nfs/dbraw/zinc/03/71/82/562037182.db2.gz	TXCVEILKMJDECJ-HNAYVOBHSA-N	1	1	352.438	2.214	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000369702807	556672732	/nfs/dbraw/zinc/67/27/32/556672732.db2.gz	KLVXEBKRHTULDK-CVEARBPZSA-N	1	1	357.454	2.037	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000369803740	556699774	/nfs/dbraw/zinc/69/97/74/556699774.db2.gz	OBAYJNIHCXZWIS-LJQANCHMSA-N	1	1	362.433	2.230	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000369808857	556701162	/nfs/dbraw/zinc/70/11/62/556701162.db2.gz	NWDGJOZHCJFTSF-WMZOPIPTSA-N	1	1	356.470	2.072	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000369808857	556701164	/nfs/dbraw/zinc/70/11/64/556701164.db2.gz	NWDGJOZHCJFTSF-WMZOPIPTSA-N	1	1	356.470	2.072	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)C1([NH+]2CCN(C)CC2)CCCC1	ZINC000369927963	556732484	/nfs/dbraw/zinc/73/24/84/556732484.db2.gz	RXJRMSSGSWQCKM-UHFFFAOYSA-N	1	1	357.498	2.428	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000370237609	556818679	/nfs/dbraw/zinc/81/86/79/556818679.db2.gz	ZMNZJEPXAOLGAL-ZACQAIPSSA-N	1	1	372.494	2.200	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000370237609	556818682	/nfs/dbraw/zinc/81/86/82/556818682.db2.gz	ZMNZJEPXAOLGAL-ZACQAIPSSA-N	1	1	372.494	2.200	20	30		FEEDMO
CCc1nc(CN2C[C@@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@@H]3C2)no1	ZINC000370424654	556868791	/nfs/dbraw/zinc/86/87/91/556868791.db2.gz	NRTRHUPAYPQSSI-IYBDPMFKSA-N	1	1	355.417	2.207	20	30		FEEDMO
CN(C(=O)C[N@@H+](C)C1CCN(c2cccnn2)CC1)C1(C#N)CCCCC1	ZINC000370434431	556872035	/nfs/dbraw/zinc/87/20/35/556872035.db2.gz	RFSKRQHIRIWHHF-UHFFFAOYSA-N	1	1	370.501	2.062	20	30		FEEDMO
CC(C)Oc1ccc([C@H](CNS(=O)(=O)CCCC#N)[NH+](C)C)cc1	ZINC000516884617	562062801	/nfs/dbraw/zinc/06/28/01/562062801.db2.gz	HANMJPRERJVYEW-KRWDZBQOSA-N	1	1	353.488	2.300	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1F	ZINC000370626850	556924638	/nfs/dbraw/zinc/92/46/38/556924638.db2.gz	MZQMSUQRTYWHKW-UHFFFAOYSA-N	1	1	354.385	2.235	20	30		FEEDMO
N#Cc1cccc(F)c1CC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000517252207	562082871	/nfs/dbraw/zinc/08/28/71/562082871.db2.gz	MMECWUJSKYPKSB-GOSISDBHSA-N	1	1	367.424	2.123	20	30		FEEDMO
N#Cc1cccc([C@@H]2CN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CCO2)c1	ZINC000371283711	557130300	/nfs/dbraw/zinc/13/03/00/557130300.db2.gz	LOXDJHZWJQMIAM-LPHOPBHVSA-N	1	1	354.454	2.125	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2CCc3nnc(N)cc3C2)c(-c2ccccc2)n1	ZINC000371375934	557165696	/nfs/dbraw/zinc/16/56/96/557165696.db2.gz	WPFOYMQNENLDQK-UHFFFAOYSA-N	1	1	359.437	2.394	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCc3nnc(N)cc3C2)c(-c2ccccc2)n1	ZINC000371375934	557165699	/nfs/dbraw/zinc/16/56/99/557165699.db2.gz	WPFOYMQNENLDQK-UHFFFAOYSA-N	1	1	359.437	2.394	20	30		FEEDMO
CN1CCN(C[C@@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)CC1	ZINC000371425639	557182947	/nfs/dbraw/zinc/18/29/47/557182947.db2.gz	UFPGKLKGGKPKDY-HXUWFJFHSA-N	1	1	356.514	2.287	20	30		FEEDMO
CN1CCN(C[C@@H]2CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1	ZINC000371425639	557182950	/nfs/dbraw/zinc/18/29/50/557182950.db2.gz	UFPGKLKGGKPKDY-HXUWFJFHSA-N	1	1	356.514	2.287	20	30		FEEDMO
CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000517557010	562092528	/nfs/dbraw/zinc/09/25/28/562092528.db2.gz	UNDMQRYFBUVXLP-WBVHZDCISA-N	1	1	355.442	2.138	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C3(C#N)CCCCC3)CC2)CC1	ZINC000371591966	557232840	/nfs/dbraw/zinc/23/28/40/557232840.db2.gz	XOQSQVKOGHRNHB-UHFFFAOYSA-N	1	1	374.529	2.253	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO	ZINC000371609051	557238876	/nfs/dbraw/zinc/23/88/76/557238876.db2.gz	UGQVQQDIRFXXFH-IXDOHACOSA-N	1	1	372.469	2.430	20	30		FEEDMO
CC(C)c1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000371724544	557275362	/nfs/dbraw/zinc/27/53/62/557275362.db2.gz	RLBYOZPYLMMHAB-HNNXBMFYSA-N	1	1	359.455	2.299	20	30		FEEDMO
C=CCSCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000371739102	557280092	/nfs/dbraw/zinc/28/00/92/557280092.db2.gz	JJVZIWUEYSHJKN-GOEBONIOSA-N	1	1	351.520	2.021	20	30		FEEDMO
C=CCn1c(-c2nnn(C)c2C)nnc1N1CCC[N@H+](C2CCCC2)CC1	ZINC000518698632	562116647	/nfs/dbraw/zinc/11/66/47/562116647.db2.gz	JEXXGCSBBDGCEV-UHFFFAOYSA-N	1	1	370.505	2.023	20	30		FEEDMO
COc1ccccc1N1CC[C@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000372197990	557407001	/nfs/dbraw/zinc/40/70/01/557407001.db2.gz	VDNOMRQOTASHJW-KKSFZXQISA-N	1	1	370.497	2.404	20	30		FEEDMO
COc1ccccc1N1CC[C@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000372197990	557407003	/nfs/dbraw/zinc/40/70/03/557407003.db2.gz	VDNOMRQOTASHJW-KKSFZXQISA-N	1	1	370.497	2.404	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000372415138	557465361	/nfs/dbraw/zinc/46/53/61/557465361.db2.gz	DETIGGNTLPUVMI-INIZCTEOSA-N	1	1	357.458	2.085	20	30		FEEDMO
Cc1ccn2c(c1)nnc2C1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000372554663	557502958	/nfs/dbraw/zinc/50/29/58/557502958.db2.gz	DZCHVKFIOSNLKF-FQEVSTJZSA-N	1	1	368.485	2.272	20	30		FEEDMO
CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(CC#N)cc1	ZINC000372670103	557533165	/nfs/dbraw/zinc/53/31/65/557533165.db2.gz	MFICPBNWTHAMEG-QGZVFWFLSA-N	1	1	365.437	2.141	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1	ZINC000372845829	557574345	/nfs/dbraw/zinc/57/43/45/557574345.db2.gz	HNCMOQYXALCGQL-DYESRHJHSA-N	1	1	366.465	2.316	20	30		FEEDMO
C=CCNC(=O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(Cc3ccccc3)no2)C1	ZINC000372845829	557574346	/nfs/dbraw/zinc/57/43/46/557574346.db2.gz	HNCMOQYXALCGQL-DYESRHJHSA-N	1	1	366.465	2.316	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000373138680	557636499	/nfs/dbraw/zinc/63/64/99/557636499.db2.gz	LFIWLFJJCYTXHI-UYAOXDASSA-N	1	1	370.497	2.037	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3F)C2)CC1	ZINC000520201113	562150511	/nfs/dbraw/zinc/15/05/11/562150511.db2.gz	YGXMZSPCNUHFKD-FXAWDEMLSA-N	1	1	372.488	2.307	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3F)C2)CC1	ZINC000520201114	562150514	/nfs/dbraw/zinc/15/05/14/562150514.db2.gz	YGXMZSPCNUHFKD-PXNSSMCTSA-N	1	1	372.488	2.307	20	30		FEEDMO
CC(C)[C@@H](NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccccc1	ZINC000373404382	557687664	/nfs/dbraw/zinc/68/76/64/557687664.db2.gz	LBLMPQZCVRXAIT-HXUWFJFHSA-N	1	1	366.469	2.300	20	30		FEEDMO
C=CCN(C(=O)NCc1noc(C)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000373503466	557706244	/nfs/dbraw/zinc/70/62/44/557706244.db2.gz	DRSZRLJHSTWBAY-QGZVFWFLSA-N	1	1	355.442	2.350	20	30		FEEDMO
N#Cc1cccc(-n2ccc(C(=O)N3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)n2)c1	ZINC000373960170	557796668	/nfs/dbraw/zinc/79/66/68/557796668.db2.gz	YUHGGMTUHDFTFH-HQRMLTQVSA-N	1	1	361.449	2.300	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000374307719	557862906	/nfs/dbraw/zinc/86/29/06/557862906.db2.gz	IGHOHYZXQNQWOH-MSOLQXFVSA-N	1	1	365.433	2.160	20	30		FEEDMO
CCOCCNC(=O)C[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000374951913	557955693	/nfs/dbraw/zinc/95/56/93/557955693.db2.gz	LIKXQNQELNFIHM-CYBMUJFWSA-N	1	1	358.467	2.485	20	30		FEEDMO
N#Cc1c(Cl)cccc1S(=O)(=O)NCc1c[nH+]c2n1CCCC2	ZINC000375111750	557979440	/nfs/dbraw/zinc/97/94/40/557979440.db2.gz	JHKCXQCOTARSQH-UHFFFAOYSA-N	1	1	350.831	2.223	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@]4(C3)C(=O)Nc3ccccc34)C2=O)cc1	ZINC000375316564	558007976	/nfs/dbraw/zinc/00/79/76/558007976.db2.gz	ADXAAFIPVWNUPL-DENIHFKCSA-N	1	1	372.428	2.259	20	30		FEEDMO
N#CCCCOc1cccc(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)c1	ZINC000375413872	558023335	/nfs/dbraw/zinc/02/33/35/558023335.db2.gz	XREAXFYYOWCGMA-HUUCEWRRSA-N	1	1	355.360	2.465	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C[N@H+]1C1CC1	ZINC000376220075	558143448	/nfs/dbraw/zinc/14/34/48/558143448.db2.gz	HTHWBDYVSYYHTN-VNQPRFMTSA-N	1	1	356.445	2.265	20	30		FEEDMO
Cc1ccc(N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)nc1C#N	ZINC000377158983	558278410	/nfs/dbraw/zinc/27/84/10/558278410.db2.gz	OEKCCBQYECVJMD-MRXNPFEDSA-N	1	1	371.485	2.393	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000377211335	558289662	/nfs/dbraw/zinc/28/96/62/558289662.db2.gz	CSRXJRUBEBMTBU-HKBOAZHASA-N	1	1	369.509	2.252	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000377239773	558296322	/nfs/dbraw/zinc/29/63/22/558296322.db2.gz	RJXOZAWZLVHPFM-RTWAWAEBSA-N	1	1	368.525	2.042	20	30		FEEDMO
CCc1nc(CN2C[C@@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@@H]3C2)no1	ZINC000377431886	558339495	/nfs/dbraw/zinc/33/94/95/558339495.db2.gz	KPRUROXFHDYGPF-IYBDPMFKSA-N	1	1	355.417	2.207	20	30		FEEDMO
Cc1noc([C@@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000522445101	562198658	/nfs/dbraw/zinc/19/86/58/562198658.db2.gz	UIQPEVXESDYJTJ-CQSZACIVSA-N	1	1	368.441	2.228	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1	ZINC000377670980	558392222	/nfs/dbraw/zinc/39/22/22/558392222.db2.gz	JESCDWZDBFXYLN-QLFBSQMISA-N	1	1	372.494	2.087	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1	ZINC000377670980	558392223	/nfs/dbraw/zinc/39/22/23/558392223.db2.gz	JESCDWZDBFXYLN-QLFBSQMISA-N	1	1	372.494	2.087	20	30		FEEDMO
Cc1ccc(N2CCC(NS(=O)(=O)CCC(C)(C)C#N)CC2)[nH+]c1	ZINC000377887856	558442403	/nfs/dbraw/zinc/44/24/03/558442403.db2.gz	HIZFYFJNOXISQY-UHFFFAOYSA-N	1	1	350.488	2.218	20	30		FEEDMO
C#CCOc1ccc(C[N@H+]2C[C@H]3CN(Cc4noc(CC)n4)C[C@H]3C2)cc1	ZINC000378354143	558537355	/nfs/dbraw/zinc/53/73/55/558537355.db2.gz	YYRQJSJYXMRJSH-HDICACEKSA-N	1	1	366.465	2.208	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)NCc1ccc(C#N)cc1	ZINC000523634599	562216410	/nfs/dbraw/zinc/21/64/10/562216410.db2.gz	FZZDQCSLGJXEFB-GOSISDBHSA-N	1	1	362.477	2.381	20	30		FEEDMO
C=CCOCCNC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C	ZINC000378559772	558583219	/nfs/dbraw/zinc/58/32/19/558583219.db2.gz	LVAQSRVMPYZUGO-CJNGLKHVSA-N	1	1	352.504	2.164	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)s1	ZINC000389986169	558610385	/nfs/dbraw/zinc/61/03/85/558610385.db2.gz	MEQAXSWMDHQVNI-BBRMVZONSA-N	1	1	361.492	2.419	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)s1	ZINC000389986169	558610387	/nfs/dbraw/zinc/61/03/87/558610387.db2.gz	MEQAXSWMDHQVNI-BBRMVZONSA-N	1	1	361.492	2.419	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1	ZINC000407955584	558633460	/nfs/dbraw/zinc/63/34/60/558633460.db2.gz	RTXGDWANAVWORL-WCXIOVBPSA-N	1	1	356.536	2.050	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1	ZINC000408287610	558664273	/nfs/dbraw/zinc/66/42/73/558664273.db2.gz	SNSIFEFOPMPAKO-GOSISDBHSA-N	1	1	355.486	2.032	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)n1cnc(C#N)n1	ZINC000409461920	558694243	/nfs/dbraw/zinc/69/42/43/558694243.db2.gz	AYDBPKVIEWNZEU-CVEARBPZSA-N	1	1	366.469	2.402	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)n1cnc(C#N)n1	ZINC000409463029	558694743	/nfs/dbraw/zinc/69/47/43/558694743.db2.gz	ISLVLHPURPEOCA-CVEARBPZSA-N	1	1	366.469	2.259	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1C(F)(F)F	ZINC000409584055	558705052	/nfs/dbraw/zinc/70/50/52/558705052.db2.gz	JGTOBZKFHNMVAE-LLVKDONJSA-N	1	1	359.373	2.092	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)ccc1C(F)(F)F	ZINC000409584055	558705055	/nfs/dbraw/zinc/70/50/55/558705055.db2.gz	JGTOBZKFHNMVAE-LLVKDONJSA-N	1	1	359.373	2.092	20	30		FEEDMO
N#Cc1cccc(NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000524976941	562238860	/nfs/dbraw/zinc/23/88/60/562238860.db2.gz	IVZIFSBEOOCBEC-HXUWFJFHSA-N	1	1	350.422	2.317	20	30		FEEDMO
C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)NC(=O)NCC(F)(F)F	ZINC000411183722	558849971	/nfs/dbraw/zinc/84/99/71/558849971.db2.gz	ZSOKTAJMMOLRJU-GFCCVEGCSA-N	1	1	373.375	2.460	20	30		FEEDMO
C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C(=O)NC(=O)NCC(F)(F)F	ZINC000411183722	558849972	/nfs/dbraw/zinc/84/99/72/558849972.db2.gz	ZSOKTAJMMOLRJU-GFCCVEGCSA-N	1	1	373.375	2.460	20	30		FEEDMO
CCOC(=O)[C@H](CC)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000411203418	558852650	/nfs/dbraw/zinc/85/26/50/558852650.db2.gz	ZAKLUQCNSYGZIA-GOSISDBHSA-N	1	1	357.454	2.182	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)CC(=O)Nc1ccccc1N1CCCC1=O	ZINC000411637136	558933281	/nfs/dbraw/zinc/93/32/81/558933281.db2.gz	FNJQKGPQPYWEOR-UHFFFAOYSA-N	1	1	358.486	2.192	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(C(=O)N(C)C)CC1	ZINC000411915817	558987604	/nfs/dbraw/zinc/98/76/04/558987604.db2.gz	TWGOGKPWTTXEPE-CYBMUJFWSA-N	1	1	360.483	2.230	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c(OC)c1	ZINC000412028062	559004050	/nfs/dbraw/zinc/00/40/50/559004050.db2.gz	MPGOSUWKLRUISX-SJORKVTESA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)c(OC)c1	ZINC000412028062	559004051	/nfs/dbraw/zinc/00/40/51/559004051.db2.gz	MPGOSUWKLRUISX-SJORKVTESA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)c(OC)c1	ZINC000412028062	559004053	/nfs/dbraw/zinc/00/40/53/559004053.db2.gz	MPGOSUWKLRUISX-SJORKVTESA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c(OC)c1	ZINC000412028062	559004054	/nfs/dbraw/zinc/00/40/54/559004054.db2.gz	MPGOSUWKLRUISX-SJORKVTESA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c(OC)c1	ZINC000412028062	559004056	/nfs/dbraw/zinc/00/40/56/559004056.db2.gz	MPGOSUWKLRUISX-SJORKVTESA-N	1	1	372.469	2.079	20	30		FEEDMO
C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)CN1CCOCC1	ZINC000412073653	559010259	/nfs/dbraw/zinc/01/02/59/559010259.db2.gz	ADLBCFLXUALFLN-UHFFFAOYSA-N	1	1	364.877	2.193	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)CN1CCOCC1	ZINC000412073653	559010260	/nfs/dbraw/zinc/01/02/60/559010260.db2.gz	ADLBCFLXUALFLN-UHFFFAOYSA-N	1	1	364.877	2.193	20	30		FEEDMO
COCC(COC)[NH+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1	ZINC000413404234	559105596	/nfs/dbraw/zinc/10/55/96/559105596.db2.gz	OTAFXMNHAMOPSE-IBGZPJMESA-N	1	1	374.485	2.020	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2NCC(=O)NC2(C#N)CCC2)C[C@H](C)O1	ZINC000527117686	562277023	/nfs/dbraw/zinc/27/70/23/562277023.db2.gz	CJCHBSVHICOSHW-IYBDPMFKSA-N	1	1	356.470	2.270	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000527103191	562276619	/nfs/dbraw/zinc/27/66/19/562276619.db2.gz	QXUCXJDFZVSEHN-LXPRWKDFSA-N	1	1	371.485	2.427	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1	ZINC000416563685	559322123	/nfs/dbraw/zinc/32/21/23/559322123.db2.gz	YLFSZNGLYGKRAE-AWEZNQCLSA-N	1	1	355.891	2.416	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)cc1	ZINC000418408335	559400549	/nfs/dbraw/zinc/40/05/49/559400549.db2.gz	GIWPLWQTGKRPNX-PMACEKPBSA-N	1	1	369.513	2.293	20	30		FEEDMO
C[C@@H]1CN(Cc2ccc(Br)cc2C#N)[C@@H](C)C[N@H+]1CCO	ZINC000419347706	559438808	/nfs/dbraw/zinc/43/88/08/559438808.db2.gz	XGSJUWFTDKKELB-OLZOCXBDSA-N	1	1	352.276	2.208	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1cc(C#N)ccc1Br	ZINC000419348527	559438943	/nfs/dbraw/zinc/43/89/43/559438943.db2.gz	XRCBWBLUVMATQP-CHWSQXEVSA-N	1	1	352.276	2.208	20	30		FEEDMO
C=CCC[C@@H]1NC(=O)N(C[C@H]2CSCC[N@H+]2Cc2ccccc2)C1=O	ZINC000419938784	559465571	/nfs/dbraw/zinc/46/55/71/559465571.db2.gz	QGGPHKFJIGCYSD-IRXDYDNUSA-N	1	1	359.495	2.491	20	30		FEEDMO
CCN1CCC([N@H+]2CCCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)CC1	ZINC000420630264	559494434	/nfs/dbraw/zinc/49/44/34/559494434.db2.gz	SSLPXMIHKNQENV-UHFFFAOYSA-N	1	1	357.458	2.463	20	30		FEEDMO
CC[NH+]1CCC(N2CCCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)CC1	ZINC000420630264	559494435	/nfs/dbraw/zinc/49/44/35/559494435.db2.gz	SSLPXMIHKNQENV-UHFFFAOYSA-N	1	1	357.458	2.463	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)[C@@H]1C	ZINC000420920964	559511362	/nfs/dbraw/zinc/51/13/62/559511362.db2.gz	CDXBSYDUMWKQLF-JYJNAYRXSA-N	1	1	351.491	2.437	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)[C@@H]1C	ZINC000420920964	559511363	/nfs/dbraw/zinc/51/13/63/559511363.db2.gz	CDXBSYDUMWKQLF-JYJNAYRXSA-N	1	1	351.491	2.437	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1	ZINC000422533403	559593408	/nfs/dbraw/zinc/59/34/08/559593408.db2.gz	XCIKRXXOLZZZRS-RBUKOAKNSA-N	1	1	357.498	2.090	20	30		FEEDMO
C=CCn1c([C@@H]2CCCS2)nnc1N1CC[NH+](CCOCC)CC1	ZINC000424131179	559655643	/nfs/dbraw/zinc/65/56/43/559655643.db2.gz	WBBIOCUFQRMBBG-HNNXBMFYSA-N	1	1	351.520	2.191	20	30		FEEDMO
C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nn1	ZINC000424643510	559672133	/nfs/dbraw/zinc/67/21/33/559672133.db2.gz	LMTGEIMIRDGRAS-SFHVURJKSA-N	1	1	353.470	2.149	20	30		FEEDMO
C=CCC1(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCOCC1	ZINC000424759822	559675849	/nfs/dbraw/zinc/67/58/49/559675849.db2.gz	WNKSZEUSGVTHJG-MOPGFXCFSA-N	1	1	358.482	2.111	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1	ZINC000425378406	559698772	/nfs/dbraw/zinc/69/87/72/559698772.db2.gz	BGZHHFXYMKHCTB-ATZDWAIDSA-N	1	1	368.481	2.020	20	30		FEEDMO
COC(=O)c1cnc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)s1	ZINC000425493409	559705367	/nfs/dbraw/zinc/70/53/67/559705367.db2.gz	VJLZYWNBTOMVNV-LLVKDONJSA-N	1	1	358.423	2.481	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)nn1	ZINC000425514745	559707235	/nfs/dbraw/zinc/70/72/35/559707235.db2.gz	VHGKTHKDAISVFC-HXUWFJFHSA-N	1	1	368.485	2.318	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425562781	559709957	/nfs/dbraw/zinc/70/99/57/559709957.db2.gz	HICNQQUAIKQXFC-HAGHYFMRSA-N	1	1	355.482	2.493	20	30		FEEDMO
C[C@H](O)C[NH+]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1	ZINC000428503506	559776936	/nfs/dbraw/zinc/77/69/36/559776936.db2.gz	MNGCSVOQPCAILL-INIZCTEOSA-N	1	1	364.449	2.440	20	30		FEEDMO
N#Cc1ccnc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-]	ZINC000428662596	559780667	/nfs/dbraw/zinc/78/06/67/559780667.db2.gz	ZKDWWRGYUXUINJ-MRXNPFEDSA-N	1	1	369.450	2.891	20	30		FEEDMO
N#Cc1ccnc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-]	ZINC000428662596	559780668	/nfs/dbraw/zinc/78/06/68/559780668.db2.gz	ZKDWWRGYUXUINJ-MRXNPFEDSA-N	1	1	369.450	2.891	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)NCC2(CC#N)CC2)CC1	ZINC000430171206	559814718	/nfs/dbraw/zinc/81/47/18/559814718.db2.gz	NVYWDGUNOMGWGW-UHFFFAOYSA-N	1	1	369.513	2.317	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)NCC3(CC#N)CC3)cc2)CC1	ZINC000430175380	559814869	/nfs/dbraw/zinc/81/48/69/559814869.db2.gz	ZJKYPCAUZDJZQZ-UHFFFAOYSA-N	1	1	369.513	2.317	20	30		FEEDMO
N#CCC1(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1	ZINC000430911182	559830072	/nfs/dbraw/zinc/83/00/72/559830072.db2.gz	GKPBVILAIYACJV-GOSISDBHSA-N	1	1	356.470	2.136	20	30		FEEDMO
CN(C)c1cc(C#N)cc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1	ZINC000432068490	559851280	/nfs/dbraw/zinc/85/12/80/559851280.db2.gz	HAULGPMNPARNIN-UHFFFAOYSA-N	1	1	370.497	2.389	20	30		FEEDMO
COCC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCCSC1	ZINC000433193388	559873262	/nfs/dbraw/zinc/87/32/62/559873262.db2.gz	QCOYCDGUIQMXPC-IAGOWNOFSA-N	1	1	350.484	2.142	20	30		FEEDMO
C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(C)CC(C)(C)C#N	ZINC000433282525	559875636	/nfs/dbraw/zinc/87/56/36/559875636.db2.gz	BHJUIUFVWGKBRQ-QGZVFWFLSA-N	1	1	372.513	2.005	20	30		FEEDMO
CCOC(=O)[C@@]1(COC)CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000439464431	559994524	/nfs/dbraw/zinc/99/45/24/559994524.db2.gz	CZCRVEFIEFPMTO-FQEVSTJZSA-N	1	1	373.453	2.179	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1	ZINC000439479078	559995233	/nfs/dbraw/zinc/99/52/33/559995233.db2.gz	RDZHFAHTLQWOLY-AUSJPIAWSA-N	1	1	361.486	2.381	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1	ZINC000439596430	559997606	/nfs/dbraw/zinc/99/76/06/559997606.db2.gz	ONGPYIGLWYEQRW-KRWDZBQOSA-N	1	1	357.454	2.275	20	30		FEEDMO
CC(C)(C#N)CCC[N@@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1	ZINC000441011982	560021626	/nfs/dbraw/zinc/02/16/26/560021626.db2.gz	LDPFKOVZXQSLMA-HNNXBMFYSA-N	1	1	355.438	2.313	20	30		FEEDMO
CC(C)(C#N)CCC[N@H+]1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1	ZINC000441011982	560021627	/nfs/dbraw/zinc/02/16/27/560021627.db2.gz	LDPFKOVZXQSLMA-HNNXBMFYSA-N	1	1	355.438	2.313	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C	ZINC000442282866	560047715	/nfs/dbraw/zinc/04/77/15/560047715.db2.gz	JPRJSQLPEKCANO-KFWWJZLASA-N	1	1	374.510	2.428	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C	ZINC000442282866	560047716	/nfs/dbraw/zinc/04/77/16/560047716.db2.gz	JPRJSQLPEKCANO-KFWWJZLASA-N	1	1	374.510	2.428	20	30		FEEDMO
C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000442300569	560048684	/nfs/dbraw/zinc/04/86/84/560048684.db2.gz	ZKIYPIIQIUHBMR-KBPBESRZSA-N	1	1	360.483	2.182	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000442300569	560048686	/nfs/dbraw/zinc/04/86/86/560048686.db2.gz	ZKIYPIIQIUHBMR-KBPBESRZSA-N	1	1	360.483	2.182	20	30		FEEDMO
C=CCN(C(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1)C1CC1	ZINC000442417281	560051126	/nfs/dbraw/zinc/05/11/26/560051126.db2.gz	WMBYOMQQFZDQJT-HOTGVXAUSA-N	1	1	371.481	2.411	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1	ZINC000443368519	560082232	/nfs/dbraw/zinc/08/22/32/560082232.db2.gz	JMSWYZXUEGSDBK-HOCLYGCPSA-N	1	1	372.469	2.227	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c1	ZINC000443851534	560094539	/nfs/dbraw/zinc/09/45/39/560094539.db2.gz	IKWWHZOOOCBLAZ-IBGZPJMESA-N	1	1	371.462	2.000	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c1	ZINC000443851534	560094540	/nfs/dbraw/zinc/09/45/40/560094540.db2.gz	IKWWHZOOOCBLAZ-IBGZPJMESA-N	1	1	371.462	2.000	20	30		FEEDMO
Cc1cc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)ccc1C#N	ZINC000443976917	560098096	/nfs/dbraw/zinc/09/80/96/560098096.db2.gz	BSMXXPSOKABOFW-UHFFFAOYSA-N	1	1	350.466	2.448	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1)C1(C#N)CCCCC1	ZINC000444727356	560119105	/nfs/dbraw/zinc/11/91/05/560119105.db2.gz	DNCMVZDHZXCCTO-HIFRSBDPSA-N	1	1	361.408	2.306	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1)C1(C#N)CCCCC1	ZINC000444727356	560119106	/nfs/dbraw/zinc/11/91/06/560119106.db2.gz	DNCMVZDHZXCCTO-HIFRSBDPSA-N	1	1	361.408	2.306	20	30		FEEDMO
CC(C)COC[C@H](O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000444788207	560120967	/nfs/dbraw/zinc/12/09/67/560120967.db2.gz	ZGNRWYPYSJKKIC-MRXNPFEDSA-N	1	1	351.878	2.367	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000448601767	560192237	/nfs/dbraw/zinc/19/22/37/560192237.db2.gz	XESFSEONGHBVGX-GOEBONIOSA-N	1	1	374.872	2.165	20	30		FEEDMO
CN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CCC[N@@H+](C)C1	ZINC000449943885	560246041	/nfs/dbraw/zinc/24/60/41/560246041.db2.gz	DFXURPOPIXAWSU-CYBMUJFWSA-N	1	1	366.259	2.252	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000450229069	560254819	/nfs/dbraw/zinc/25/48/19/560254819.db2.gz	WEAYQBIMDKFRFP-ZRNYENFQSA-N	1	1	363.546	2.373	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1	ZINC000450382325	560260742	/nfs/dbraw/zinc/26/07/42/560260742.db2.gz	WBVCJAZGMBTFTA-VXGBXAGGSA-N	1	1	366.259	2.251	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC[N@H+]1C	ZINC000450559067	560266156	/nfs/dbraw/zinc/26/61/56/560266156.db2.gz	XJUKLYHBRHYKMI-IFIJOSMWSA-N	1	1	374.872	2.163	20	30		FEEDMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451190183	560292277	/nfs/dbraw/zinc/29/22/77/560292277.db2.gz	KLXDBURKOZRBBQ-GXTWGEPZSA-N	1	1	353.875	2.263	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[S@](=O)C(C)(C)CC1	ZINC000451753248	560326591	/nfs/dbraw/zinc/32/65/91/560326591.db2.gz	AMMTUSMQIIEKEF-OSPHWJPCSA-N	1	1	351.512	2.388	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[S@](=O)C(C)(C)CC1	ZINC000451753248	560326592	/nfs/dbraw/zinc/32/65/92/560326592.db2.gz	AMMTUSMQIIEKEF-OSPHWJPCSA-N	1	1	351.512	2.388	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[S@@](=O)C(C)(C)CC1	ZINC000451753246	560326608	/nfs/dbraw/zinc/32/66/08/560326608.db2.gz	AMMTUSMQIIEKEF-MZNJEOGPSA-N	1	1	351.512	2.388	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[S@@](=O)C(C)(C)CC1	ZINC000451753246	560326609	/nfs/dbraw/zinc/32/66/09/560326609.db2.gz	AMMTUSMQIIEKEF-MZNJEOGPSA-N	1	1	351.512	2.388	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1	ZINC000451903653	560336158	/nfs/dbraw/zinc/33/61/58/560336158.db2.gz	JNULCSXGTASVIP-INMHGKMJSA-N	1	1	359.388	2.400	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@H](CCCO)C1	ZINC000452127277	560353091	/nfs/dbraw/zinc/35/30/91/560353091.db2.gz	KZXPGAAAULBHPV-SJORKVTESA-N	1	1	359.470	2.425	20	30		FEEDMO
C[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@H](C)[N@@H+]1C	ZINC000452148818	560353856	/nfs/dbraw/zinc/35/38/56/560353856.db2.gz	FNVUEAYJKCXKPU-TXEJJXNPSA-N	1	1	366.259	2.251	20	30		FEEDMO
C=CCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](CCOCC)[C@@H](C)C1	ZINC000453440917	560386638	/nfs/dbraw/zinc/38/66/38/560386638.db2.gz	NPFXRTACKFJYGX-DLBZAZTESA-N	1	1	363.506	2.253	20	30		FEEDMO
C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC[N@H+](C(C)C)CC1	ZINC000453452376	560387132	/nfs/dbraw/zinc/38/71/32/560387132.db2.gz	SYHRQFRKROTLRB-MRXNPFEDSA-N	1	1	351.495	2.109	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000453573362	560389225	/nfs/dbraw/zinc/38/92/25/560389225.db2.gz	IMEDAKWTEHWFAH-SFHVURJKSA-N	1	1	362.433	2.196	20	30		FEEDMO
N#CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000453582290	560389568	/nfs/dbraw/zinc/38/95/68/560389568.db2.gz	SYLTULBQFKGIIP-LJQANCHMSA-N	1	1	362.433	2.082	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)C1CC1	ZINC000453648953	560393392	/nfs/dbraw/zinc/39/33/92/560393392.db2.gz	UGVCUEPLDUCMIP-UHFFFAOYSA-N	1	1	372.469	2.275	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000453674457	560395724	/nfs/dbraw/zinc/39/57/24/560395724.db2.gz	RGLQQGWICVTMLM-APWZRJJASA-N	1	1	366.465	2.281	20	30		FEEDMO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000453675739	560395779	/nfs/dbraw/zinc/39/57/79/560395779.db2.gz	SEIKUMWNQOKZEL-LPHOPBHVSA-N	1	1	366.465	2.166	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453691154	560397113	/nfs/dbraw/zinc/39/71/13/560397113.db2.gz	JEBDYFCVMHAALZ-AWEZNQCLSA-N	1	1	362.861	2.287	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C1=CC[N@@H+](C)CC1	ZINC000453753873	560401756	/nfs/dbraw/zinc/40/17/56/560401756.db2.gz	KVTDLONBUNQOCZ-GFCCVEGCSA-N	1	1	360.845	2.111	20	30		FEEDMO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCCC1(C)C	ZINC000454070959	560426749	/nfs/dbraw/zinc/42/67/49/560426749.db2.gz	QOXSPVJPUOQANL-UHFFFAOYSA-N	1	1	359.474	2.044	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CCO)C[C@@H]1C	ZINC000454751555	560456823	/nfs/dbraw/zinc/45/68/23/560456823.db2.gz	KTVBPKAUOMUOMC-GJZGRUSLSA-N	1	1	362.499	2.469	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C	ZINC000454751555	560456824	/nfs/dbraw/zinc/45/68/24/560456824.db2.gz	KTVBPKAUOMUOMC-GJZGRUSLSA-N	1	1	362.499	2.469	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@H+]1CCOC	ZINC000455777962	560494664	/nfs/dbraw/zinc/49/46/64/560494664.db2.gz	GEHCMXBFUMKMQN-CYBMUJFWSA-N	1	1	351.838	2.181	20	30		FEEDMO
COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1	ZINC000455862034	560498126	/nfs/dbraw/zinc/49/81/26/560498126.db2.gz	OESZWVOFZHXJGI-MRXNPFEDSA-N	1	1	371.481	2.223	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC	ZINC000458734778	560644612	/nfs/dbraw/zinc/64/46/12/560644612.db2.gz	MTTXLPWWHMCUPO-FSGLHJGXSA-N	1	1	365.518	2.251	20	30		FEEDMO
C[C@H]1CC[C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)O1	ZINC000459171339	560672097	/nfs/dbraw/zinc/67/20/97/560672097.db2.gz	QDZYRYDYRDDLNL-LPHOPBHVSA-N	1	1	356.470	2.343	20	30		FEEDMO
N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCCOc1ccc(C(F)(F)F)cc1	ZINC000459469949	560688129	/nfs/dbraw/zinc/68/81/29/560688129.db2.gz	SVRCLDHEAHDNLC-DOMZBBRYSA-N	1	1	355.360	2.482	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000459581306	560695871	/nfs/dbraw/zinc/69/58/71/560695871.db2.gz	KVISBJUYWVODTI-FQEVSTJZSA-N	1	1	357.454	2.228	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CC[NH+](C(C)C)CC1	ZINC000459855757	560713774	/nfs/dbraw/zinc/71/37/74/560713774.db2.gz	BTWWAQKBLHBBIG-UHFFFAOYSA-N	1	1	369.918	2.469	20	30		FEEDMO
COC(=O)[C@H](Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cccc(C#N)c1	ZINC000461098378	560761317	/nfs/dbraw/zinc/76/13/17/560761317.db2.gz	OVFJCVBGLZARGZ-VQTJNVASSA-N	1	1	365.433	2.451	20	30		FEEDMO
C=CCC[N@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1	ZINC000467288356	560907728	/nfs/dbraw/zinc/90/77/28/560907728.db2.gz	NYUVWQWEFQFLRP-UHFFFAOYSA-N	1	1	367.515	2.472	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)cc1	ZINC000469846673	560966321	/nfs/dbraw/zinc/96/63/21/560966321.db2.gz	NXGMIEANQVZNFF-YJBOKZPZSA-N	1	1	373.453	2.215	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)cc1	ZINC000469846673	560966322	/nfs/dbraw/zinc/96/63/22/560966322.db2.gz	NXGMIEANQVZNFF-YJBOKZPZSA-N	1	1	373.453	2.215	20	30		FEEDMO
C[N@@H+](CCOc1ccc(C#N)cc1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1	ZINC000470818450	560990622	/nfs/dbraw/zinc/99/06/22/560990622.db2.gz	YIPLDFHWHUAAOC-ROUUACIJSA-N	1	1	369.444	2.271	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](CO)c1ccsc1	ZINC000473167212	561043168	/nfs/dbraw/zinc/04/31/68/561043168.db2.gz	KABHALPRISOLTM-MRXNPFEDSA-N	1	1	367.434	2.067	20	30		FEEDMO
Cn1ncc(C(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c1C#N	ZINC000474959543	561086250	/nfs/dbraw/zinc/08/62/50/561086250.db2.gz	HJNCKARHPDHPTC-LJQANCHMSA-N	1	1	365.481	2.495	20	30		FEEDMO
CN(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)cc[nH+]1	ZINC000475819347	561106108	/nfs/dbraw/zinc/10/61/08/561106108.db2.gz	FULUBEZXWOLTNI-KRWDZBQOSA-N	1	1	363.421	2.149	20	30		FEEDMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnn(C)c1C#N	ZINC000476210797	561113325	/nfs/dbraw/zinc/11/33/25/561113325.db2.gz	ZENWOIAZBQMUMF-KRWDZBQOSA-N	1	1	351.454	2.276	20	30		FEEDMO
CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1C[C@H](O)COc1ccccc1C#N	ZINC000528395365	562326752	/nfs/dbraw/zinc/32/67/52/562326752.db2.gz	NMEILTWQXSWPBU-QYZOEREBSA-N	1	1	359.470	2.019	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2cccc(F)c2)CC1	ZINC000528407535	562327334	/nfs/dbraw/zinc/32/73/34/562327334.db2.gz	QHRFTBKZLLVJEX-HXUWFJFHSA-N	1	1	369.440	2.255	20	30		FEEDMO
COc1cc(OC)cc(N2CCC[N@@H+](C[C@H](O)CC3(C#N)CC3)CC2)c1	ZINC000528406033	562327412	/nfs/dbraw/zinc/32/74/12/562327412.db2.gz	SANXPBRPLFIKOM-QGZVFWFLSA-N	1	1	359.470	2.271	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCOCC2(CCCC2)C1	ZINC000528456401	562330418	/nfs/dbraw/zinc/33/04/18/562330418.db2.gz	FMMVCVVWABFWCZ-UHFFFAOYSA-N	1	1	352.434	2.179	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c1	ZINC000528643526	562339996	/nfs/dbraw/zinc/33/99/96/562339996.db2.gz	ZFLJWZBRRKVVJE-SFHVURJKSA-N	1	1	357.454	2.140	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2ccc(COC)c(C#N)c2)C[C@H]1[NH+]1CCOCC1	ZINC000529213634	562365153	/nfs/dbraw/zinc/36/51/53/562365153.db2.gz	TWCISGZXYRJKNM-DNVCBOLYSA-N	1	1	372.469	2.279	20	30		FEEDMO
COc1ccc(OC2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1	ZINC000530337408	562407447	/nfs/dbraw/zinc/40/74/47/562407447.db2.gz	OUHIQBLHUSZZKD-HNNXBMFYSA-N	1	1	357.454	2.489	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)c1C#N	ZINC000530360962	562408197	/nfs/dbraw/zinc/40/81/97/562408197.db2.gz	QWFNFBIYLBSKDU-YVEFUNNKSA-N	1	1	370.428	2.499	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)c1C#N	ZINC000530360962	562408198	/nfs/dbraw/zinc/40/81/98/562408198.db2.gz	QWFNFBIYLBSKDU-YVEFUNNKSA-N	1	1	370.428	2.499	20	30		FEEDMO
CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)Cc1cccc(C#N)c1	ZINC000530668573	562419867	/nfs/dbraw/zinc/41/98/67/562419867.db2.gz	CHLBLRPCGAUFEL-IBGZPJMESA-N	1	1	371.481	2.367	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CC34CCOCC4)CC2)cc1	ZINC000530885144	562427352	/nfs/dbraw/zinc/42/73/52/562427352.db2.gz	ASFUQAPDJGTXOF-LJQANCHMSA-N	1	1	353.466	2.409	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CC34CCOCC4)CC2)cc1	ZINC000530885144	562427353	/nfs/dbraw/zinc/42/73/53/562427353.db2.gz	ASFUQAPDJGTXOF-LJQANCHMSA-N	1	1	353.466	2.409	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]2COCC[C@H]21	ZINC000532646764	562484386	/nfs/dbraw/zinc/48/43/86/562484386.db2.gz	ROIDMQWQGANGIB-CRAIPNDOSA-N	1	1	365.437	2.183	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]2COCC[C@H]21	ZINC000532646764	562484387	/nfs/dbraw/zinc/48/43/87/562484387.db2.gz	ROIDMQWQGANGIB-CRAIPNDOSA-N	1	1	365.437	2.183	20	30		FEEDMO
CC(C)(O)C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCOCC1	ZINC000533022871	562495984	/nfs/dbraw/zinc/49/59/84/562495984.db2.gz	QEDBXWQSTDETAG-UHFFFAOYSA-N	1	1	365.861	2.402	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CCC(N)=O)C1	ZINC000533402644	562507532	/nfs/dbraw/zinc/50/75/32/562507532.db2.gz	KGTXIIAKIMMEPL-AWEZNQCLSA-N	1	1	360.483	2.218	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CCC(N)=O)C1	ZINC000533402644	562507533	/nfs/dbraw/zinc/50/75/33/562507533.db2.gz	KGTXIIAKIMMEPL-AWEZNQCLSA-N	1	1	360.483	2.218	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1	ZINC000533722270	562516831	/nfs/dbraw/zinc/51/68/31/562516831.db2.gz	MYZOEGDRYYXXSA-MRXNPFEDSA-N	1	1	357.454	2.473	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1	ZINC000533722270	562516832	/nfs/dbraw/zinc/51/68/32/562516832.db2.gz	MYZOEGDRYYXXSA-MRXNPFEDSA-N	1	1	357.454	2.473	20	30		FEEDMO
COC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1C#N	ZINC000534471660	562534693	/nfs/dbraw/zinc/53/46/93/562534693.db2.gz	WYHGZEVXXCRCCK-HNNXBMFYSA-N	1	1	365.437	2.262	20	30		FEEDMO
COC(=O)c1cccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1C#N	ZINC000534471660	562534694	/nfs/dbraw/zinc/53/46/94/562534694.db2.gz	WYHGZEVXXCRCCK-HNNXBMFYSA-N	1	1	365.437	2.262	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2F)[C@H]1c1ccccc1	ZINC000534638902	562538810	/nfs/dbraw/zinc/53/88/10/562538810.db2.gz	NLWQXAPURDPBLW-FUHWJXTLSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2F)[C@H]1c1ccccc1	ZINC000534638902	562538811	/nfs/dbraw/zinc/53/88/11/562538811.db2.gz	NLWQXAPURDPBLW-FUHWJXTLSA-N	1	1	359.426	2.421	20	30		FEEDMO
N#Cc1cccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1	ZINC000536432779	562575428	/nfs/dbraw/zinc/57/54/28/562575428.db2.gz	VFGFLAUAZDDEJX-SFTDATJTSA-N	1	1	363.461	2.100	20	30		FEEDMO
C=CCCOCCCCC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000537330288	562589731	/nfs/dbraw/zinc/58/97/31/562589731.db2.gz	WPRCPEZEYSVCNN-IBGZPJMESA-N	1	1	351.535	2.378	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CCN1Cc1ccccc1	ZINC000602099257	567926644	/nfs/dbraw/zinc/92/66/44/567926644.db2.gz	ZAGPJKRHQHAKFV-UXHICEINSA-N	1	1	352.482	2.240	20	30		FEEDMO
N#CC[C@@]1(O)CCN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1	ZINC000602392509	567974956	/nfs/dbraw/zinc/97/49/56/567974956.db2.gz	RHHJVGXQEUKPET-PZJWPPBQSA-N	1	1	370.497	2.491	20	30		FEEDMO
C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCc2c(CC#N)cccc2C1	ZINC000602573920	567996403	/nfs/dbraw/zinc/99/64/03/567996403.db2.gz	OAEKKPXEYGREDF-NRFANRHFSA-N	1	1	362.477	2.097	20	30		FEEDMO
CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCc2c(CC#N)cccc2C1	ZINC000602573920	567996404	/nfs/dbraw/zinc/99/64/04/567996404.db2.gz	OAEKKPXEYGREDF-NRFANRHFSA-N	1	1	362.477	2.097	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCC[C@H](n2ccnn2)CC1)c1ccccc1	ZINC000602889441	568006752	/nfs/dbraw/zinc/00/67/52/568006752.db2.gz	RILKKYOWNUPKHX-SFHVURJKSA-N	1	1	352.442	2.252	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1)C1CC1	ZINC000602898249	568014535	/nfs/dbraw/zinc/01/45/35/568014535.db2.gz	PYXPYASPEUHPEP-HXUWFJFHSA-N	1	1	351.454	2.243	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2CO)cc1	ZINC000602931811	568019818	/nfs/dbraw/zinc/01/98/18/568019818.db2.gz	SSGZCNFKQKTGGJ-AEFFLSMTSA-N	1	1	359.470	2.425	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)C[C@H]2CO)cc1	ZINC000602931811	568019819	/nfs/dbraw/zinc/01/98/19/568019819.db2.gz	SSGZCNFKQKTGGJ-AEFFLSMTSA-N	1	1	359.470	2.425	20	30		FEEDMO
CC[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C1CCOCC1	ZINC000330271561	568065390	/nfs/dbraw/zinc/06/53/90/568065390.db2.gz	WCLVECOAPFNDOM-YJBOKZPZSA-N	1	1	353.507	2.291	20	30		FEEDMO
COCC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C2CC2)C[C@H]1C	ZINC000568639202	568103394	/nfs/dbraw/zinc/10/33/94/568103394.db2.gz	AHGWWUWTDGOYOR-OAHLLOKOSA-N	1	1	366.469	2.309	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000604522125	568305126	/nfs/dbraw/zinc/30/51/26/568305126.db2.gz	PPCSUGZUBPJMGB-RTBURBONSA-N	1	1	373.497	2.121	20	30		FEEDMO
COc1ccc(Cl)cc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000569508557	568404229	/nfs/dbraw/zinc/40/42/29/568404229.db2.gz	XCSYIRGKOPSIJV-UHFFFAOYSA-N	1	1	365.842	2.179	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000637185248	568534694	/nfs/dbraw/zinc/53/46/94/568534694.db2.gz	GTNCMXRALMOLOK-PKOBYXMFSA-N	1	1	357.498	2.295	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1c(F)cccc1Cl	ZINC000807949166	674435854	/nfs/dbraw/zinc/43/58/54/674435854.db2.gz	XCRKEUIDQBRHRF-UHFFFAOYSA-N	1	1	372.897	2.390	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1	ZINC000809688704	674505317	/nfs/dbraw/zinc/50/53/17/674505317.db2.gz	OBQFEYJNOJAHNU-RDJZCZTQSA-N	1	1	365.499	2.081	20	30		FEEDMO
C[C@@H]1CCc2c(sc(NC(=O)CC[N@H+](C)CCC#N)c2-c2nn[nH]n2)C1	ZINC000820727906	606331739	/nfs/dbraw/zinc/33/17/39/606331739.db2.gz	QPDKNQVHWKAHOA-LLVKDONJSA-N	1	1	373.486	2.227	20	30		FEEDMO
C[C@@H]1CCc2c(sc(NC(=O)CC[N@@H+](C)CCC#N)c2-c2nn[nH]n2)C1	ZINC000820727906	606331741	/nfs/dbraw/zinc/33/17/41/606331741.db2.gz	QPDKNQVHWKAHOA-LLVKDONJSA-N	1	1	373.486	2.227	20	30		FEEDMO
N#CCC1CC[NH+](CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1	ZINC000826381114	609428901	/nfs/dbraw/zinc/42/89/01/609428901.db2.gz	XTEAQHZJHITVMA-UHFFFAOYSA-N	1	1	359.821	2.084	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)C(C)(C)C	ZINC000811993511	674645559	/nfs/dbraw/zinc/64/55/59/674645559.db2.gz	UXSXKJMRQFNRJZ-RDJZCZTQSA-N	1	1	362.543	2.384	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](c2nc[nH]n2)C1	ZINC000563022176	674835861	/nfs/dbraw/zinc/83/58/61/674835861.db2.gz	PGDMTQDXUBHQBW-WDEREUQCSA-N	1	1	356.455	2.043	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1c(Cl)cc(F)cc1Cl	ZINC000815082800	674914139	/nfs/dbraw/zinc/91/41/39/674914139.db2.gz	FYQKDDMELRZQOE-UHFFFAOYSA-N	1	1	353.246	2.366	20	30		FEEDMO
CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1	ZINC000816016680	674997482	/nfs/dbraw/zinc/99/74/82/674997482.db2.gz	XJUFMCLUKDIBSU-CYBMUJFWSA-N	1	1	357.332	2.238	20	30		FEEDMO
CC(C)[N@H+]1CCO[C@@H](COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1	ZINC000816016680	674997484	/nfs/dbraw/zinc/99/74/84/674997484.db2.gz	XJUFMCLUKDIBSU-CYBMUJFWSA-N	1	1	357.332	2.238	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@@H]2C1	ZINC001048826616	675015859	/nfs/dbraw/zinc/01/58/59/675015859.db2.gz	KQQDEXULONQTPY-ATLSCFEFSA-N	1	1	361.511	2.323	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@@H]2C1	ZINC001048826616	675015861	/nfs/dbraw/zinc/01/58/61/675015861.db2.gz	KQQDEXULONQTPY-ATLSCFEFSA-N	1	1	361.511	2.323	20	30		FEEDMO
C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3c3ccncc3)C[C@H]2C1	ZINC001048826996	675015931	/nfs/dbraw/zinc/01/59/31/675015931.db2.gz	QUCOLZGMTZXVCM-XDNAFOTISA-N	1	1	361.873	2.302	20	30		FEEDMO
CCOc1cc(C)ccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000564848978	675068117	/nfs/dbraw/zinc/06/81/17/675068117.db2.gz	HSDUXBATXHOIBP-UHFFFAOYSA-N	1	1	359.451	2.224	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1	ZINC000564915679	675076114	/nfs/dbraw/zinc/07/61/14/675076114.db2.gz	ABTHKORAZHWJIM-OWCLPIDISA-N	1	1	351.491	2.294	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1	ZINC000564915679	675076115	/nfs/dbraw/zinc/07/61/15/675076115.db2.gz	ABTHKORAZHWJIM-OWCLPIDISA-N	1	1	351.491	2.294	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](CCSc2ccc(Cl)cc2)CC1	ZINC000057976087	670373856	/nfs/dbraw/zinc/37/38/56/670373856.db2.gz	CAFDZBGVTRRADY-UHFFFAOYSA-N	1	1	353.919	2.352	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1	ZINC000565401288	675117794	/nfs/dbraw/zinc/11/77/94/675117794.db2.gz	SWYDYWIEDZDLLM-UHFFFAOYSA-N	1	1	352.225	2.359	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000573419429	671120064	/nfs/dbraw/zinc/12/00/64/671120064.db2.gz	NSEALUWMIJNQPG-LBPRGKRZSA-N	1	1	363.849	2.324	20	30		FEEDMO
CC[C@@H](CC#N)[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1	ZINC000576954513	671407009	/nfs/dbraw/zinc/40/70/09/671407009.db2.gz	MHWMTKORTLGENQ-ZDUSSCGKSA-N	1	1	370.284	2.319	20	30		FEEDMO
N#CCc1ccc(CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1	ZINC000577178230	671421981	/nfs/dbraw/zinc/42/19/81/671421981.db2.gz	KXLGFQIIZHJEPS-LJQANCHMSA-N	1	1	355.463	2.229	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000579031248	671707319	/nfs/dbraw/zinc/70/73/19/671707319.db2.gz	KVWIQARMBVXIGM-NWDGAFQWSA-N	1	1	362.499	2.407	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000579031248	671707320	/nfs/dbraw/zinc/70/73/20/671707320.db2.gz	KVWIQARMBVXIGM-NWDGAFQWSA-N	1	1	362.499	2.407	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000580151328	671785879	/nfs/dbraw/zinc/78/58/79/671785879.db2.gz	PSQJBWBYJQQIIY-TWMKSMIVSA-N	1	1	353.507	2.155	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000580151328	671785881	/nfs/dbraw/zinc/78/58/81/671785881.db2.gz	PSQJBWBYJQQIIY-TWMKSMIVSA-N	1	1	353.507	2.155	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000580691055	671824968	/nfs/dbraw/zinc/82/49/68/671824968.db2.gz	WVWMLXDVQOTRHY-SOLBZPMBSA-N	1	1	363.527	2.134	20	30		FEEDMO
C[C@@H](SC[C@H]1C[N@H+](C)CCO1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000580833022	671838638	/nfs/dbraw/zinc/83/86/38/671838638.db2.gz	QVMMINMKYCUQBO-GARNVTTQSA-N	1	1	353.532	2.370	20	30		FEEDMO
C[C@@H](SC[C@H]1C[N@@H+](C)CCO1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000580833022	671838641	/nfs/dbraw/zinc/83/86/41/671838641.db2.gz	QVMMINMKYCUQBO-GARNVTTQSA-N	1	1	353.532	2.370	20	30		FEEDMO
C#CC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCc2ccccc21	ZINC000120940168	671939410	/nfs/dbraw/zinc/93/94/10/671939410.db2.gz	PGWYMWPXBNDMQM-FQEVSTJZSA-N	1	1	354.475	2.499	20	30		FEEDMO
CCN(C(=O)CO[NH+]=C(N)C1CCOCC1)[C@H](C)c1ccc(F)cc1	ZINC000151617767	672166258	/nfs/dbraw/zinc/16/62/58/672166258.db2.gz	DPDCWDFOPVUHOM-CYBMUJFWSA-N	1	1	351.422	2.451	20	30		FEEDMO
O=C(NCC[NH2+]Cc1ncc(-c2ccccc2)s1)C1N=CC=CC1=O	ZINC000180135262	672409252	/nfs/dbraw/zinc/40/92/52/672409252.db2.gz	LDXAXHOITXKXAT-ZCXUNETKSA-N	1	1	354.435	2.426	20	30		FEEDMO
C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1C[N@H+](C)CCO1	ZINC000588314687	672462359	/nfs/dbraw/zinc/46/23/59/672462359.db2.gz	IYDNBBYFBSAMEO-QMTHXVAHSA-N	1	1	367.247	2.161	20	30		FEEDMO
C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000588314687	672462361	/nfs/dbraw/zinc/46/23/61/672462361.db2.gz	IYDNBBYFBSAMEO-QMTHXVAHSA-N	1	1	367.247	2.161	20	30		FEEDMO
C[C@@H]1COCC[N@H+]1C1CCN(C(=O)CSc2ccc(C#N)cc2)CC1	ZINC000590554415	672589186	/nfs/dbraw/zinc/58/91/86/672589186.db2.gz	BPFACELYTQJIQV-OAHLLOKOSA-N	1	1	359.495	2.362	20	30		FEEDMO
Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cccc(F)c2C#N)c(C)s1	ZINC000590594238	672594353	/nfs/dbraw/zinc/59/43/53/672594353.db2.gz	ODTUUWWTEOXWDH-UHFFFAOYSA-N	1	1	367.471	2.444	20	30		FEEDMO
C=C(C)[C@H](CO)[NH+]1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1	ZINC000590700538	672603439	/nfs/dbraw/zinc/60/34/39/672603439.db2.gz	IEZAZAYTCVVMHG-IRXDYDNUSA-N	1	1	352.862	2.109	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F	ZINC000611578269	676045389	/nfs/dbraw/zinc/04/53/89/676045389.db2.gz	ZXEZVTQOLKCFTF-OAHLLOKOSA-N	1	1	357.376	2.174	20	30		FEEDMO
C=CCc1cc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c(O)c(OC)c1	ZINC000192944751	672707387	/nfs/dbraw/zinc/70/73/87/672707387.db2.gz	HHGFTDFQIITUMY-INIZCTEOSA-N	1	1	351.468	2.281	20	30		FEEDMO
C=CCc1cc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c(O)c(OC)c1	ZINC000192944751	672707391	/nfs/dbraw/zinc/70/73/91/672707391.db2.gz	HHGFTDFQIITUMY-INIZCTEOSA-N	1	1	351.468	2.281	20	30		FEEDMO
COc1ccccc1C1([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1	ZINC000592144767	672763480	/nfs/dbraw/zinc/76/34/80/672763480.db2.gz	NKGAMNBEQSAMKH-UHFFFAOYSA-N	1	1	357.435	2.014	20	30		FEEDMO
N#CC[C@]1(O)CC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1	ZINC000592152553	672764688	/nfs/dbraw/zinc/76/46/88/672764688.db2.gz	ZTEMPVLWUSLMSK-HNNXBMFYSA-N	1	1	352.232	2.128	20	30		FEEDMO
CCC(CC)[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)[NH+]1CCOCC1	ZINC000612099547	676068791	/nfs/dbraw/zinc/06/87/91/676068791.db2.gz	YVGHFUARUVVQAA-IEBWSBKVSA-N	1	1	350.507	2.459	20	30		FEEDMO
N#CCCCCS(=O)(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593668499	672975049	/nfs/dbraw/zinc/97/50/49/672975049.db2.gz	LQZXZGGHXBEJDI-UHFFFAOYSA-N	1	1	360.483	2.136	20	30		FEEDMO
Cc1ncsc1CNC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000328846315	673068102	/nfs/dbraw/zinc/06/81/02/673068102.db2.gz	RZNYXFVEJHLAMZ-UHFFFAOYSA-N	1	1	365.547	2.356	20	30		FEEDMO
O=C(C[NH+]1CCC(n2cc(Br)cn2)CC1)NC(=O)NC1CC1	ZINC000329237218	673073731	/nfs/dbraw/zinc/07/37/31/673073731.db2.gz	OVVPXIPILKSQOP-UHFFFAOYSA-N	1	1	370.251	2.315	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1	ZINC000595411735	673246132	/nfs/dbraw/zinc/24/61/32/673246132.db2.gz	SLTRQVHAMPMKCT-INIZCTEOSA-N	1	1	365.474	2.239	20	30		FEEDMO
CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)CCc2ccc(C#N)cc2)CC1	ZINC000595498363	673258474	/nfs/dbraw/zinc/25/84/74/673258474.db2.gz	RUBITRVWIYXNKU-INIZCTEOSA-N	1	1	363.527	2.483	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+](CCOCCO)C2CCC2)cc1Cl	ZINC000595598812	673272007	/nfs/dbraw/zinc/27/20/07/673272007.db2.gz	GYIHIYWCWXGUDX-UHFFFAOYSA-N	1	1	365.861	2.404	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1Cl	ZINC000595744962	673288285	/nfs/dbraw/zinc/28/82/85/673288285.db2.gz	WTUSOGYIMPTKSX-CJNGLKHVSA-N	1	1	360.845	2.141	20	30		FEEDMO
C=CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2cccs2)CC1	ZINC000508918251	673342483	/nfs/dbraw/zinc/34/24/83/673342483.db2.gz	DRMIMWJQKFAJAC-HNNXBMFYSA-N	1	1	359.499	2.352	20	30		FEEDMO
CCOCCC[N@H+]1CCC(=NNS(=O)(=O)c2ccccc2)[C@H](C)C1	ZINC000735224202	673486548	/nfs/dbraw/zinc/48/65/48/673486548.db2.gz	PJUKTVIJJAUCBG-OAHLLOKOSA-N	1	1	353.488	2.089	20	30		FEEDMO
CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1	ZINC000598594296	673587436	/nfs/dbraw/zinc/58/74/36/673587436.db2.gz	GTNDCSALDRNFBR-MRXNPFEDSA-N	1	1	363.889	2.327	20	30		FEEDMO
CO[C@]1(C(F)(F)F)CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000599380451	673666900	/nfs/dbraw/zinc/66/69/00/673666900.db2.gz	VFFSPUZLYYRBOA-GOEBONIOSA-N	1	1	358.360	2.341	20	30		FEEDMO
N#CC[C@]1(O)CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1	ZINC000599455152	673677189	/nfs/dbraw/zinc/67/71/89/673677189.db2.gz	IDLOTRFOFDTDSB-ZBFHGGJFSA-N	1	1	364.243	2.053	20	30		FEEDMO
N#CC[C@]1(O)CC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1	ZINC000599455152	673677190	/nfs/dbraw/zinc/67/71/90/673677190.db2.gz	IDLOTRFOFDTDSB-ZBFHGGJFSA-N	1	1	364.243	2.053	20	30		FEEDMO
N#CCc1ccccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1	ZINC000601344058	673845543	/nfs/dbraw/zinc/84/55/43/673845543.db2.gz	SJLBVMNQMNVENW-KRWDZBQOSA-N	1	1	359.426	2.227	20	30		FEEDMO
N#Cc1cc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)ncc1Br	ZINC000603270125	673920522	/nfs/dbraw/zinc/92/05/22/673920522.db2.gz	CNDFMKUJCRCWOR-CQSZACIVSA-N	1	1	365.275	2.407	20	30		FEEDMO
CN(C)CC[NH+]1CCC(Nc2cc(C#N)c(Br)cn2)CC1	ZINC000603276436	673920940	/nfs/dbraw/zinc/92/09/40/673920940.db2.gz	VNPILPBCFBVYDO-UHFFFAOYSA-N	1	1	352.280	2.154	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](OC(F)F)C2)c(OC)c1	ZINC000549077837	674015136	/nfs/dbraw/zinc/01/51/36/674015136.db2.gz	TZZLLVXLDXEZSD-CABCVRRESA-N	1	1	357.397	2.477	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)CCc1ccc(OC)c(Br)c1	ZINC000818593124	675226731	/nfs/dbraw/zinc/22/67/31/675226731.db2.gz	NAVPSECRIQHENB-UHFFFAOYSA-N	1	1	367.287	2.462	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C	ZINC000818609393	675228492	/nfs/dbraw/zinc/22/84/92/675228492.db2.gz	SQPXIBDHHABHDC-HZPDHXFCSA-N	1	1	351.491	2.093	20	30		FEEDMO
C=CC[C@@H](CO)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000567298664	675282340	/nfs/dbraw/zinc/28/23/40/675282340.db2.gz	KUFQYHZKGNQIIR-SJORKVTESA-N	1	1	352.425	2.445	20	30		FEEDMO
CN(CC(C)(C)C#N)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000567580159	675303790	/nfs/dbraw/zinc/30/37/90/675303790.db2.gz	YBKKFBICOBLUJJ-HNNXBMFYSA-N	1	1	363.531	2.228	20	30		FEEDMO
C[C@@H](CNC(=O)C#Cc1cccs1)[NH+]1CCN(c2ccccc2)CC1	ZINC000825046091	675634897	/nfs/dbraw/zinc/63/48/97/675634897.db2.gz	QEQPTABCLPXQEQ-KRWDZBQOSA-N	1	1	353.491	2.427	20	30		FEEDMO
C=CCCOCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000677290198	679674453	/nfs/dbraw/zinc/67/44/53/679674453.db2.gz	IKAZLAGQQFEBBV-RTBURBONSA-N	1	1	351.535	2.375	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000620634173	676423599	/nfs/dbraw/zinc/42/35/99/676423599.db2.gz	JNYVTBPULGUFQB-HOTGVXAUSA-N	1	1	351.516	2.134	20	30		FEEDMO
C=CCCCS(=O)(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21	ZINC000651840930	677455928	/nfs/dbraw/zinc/45/59/28/677455928.db2.gz	BEYKDVMIYWFHCP-RTBURBONSA-N	1	1	364.511	2.258	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1	ZINC000838622242	680706515	/nfs/dbraw/zinc/70/65/15/680706515.db2.gz	RPCKUFNSWSSTIA-DLBZAZTESA-N	1	1	361.511	2.152	20	30		FEEDMO
C=CCONC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000838704673	680713831	/nfs/dbraw/zinc/71/38/31/680713831.db2.gz	YGJMBAXKDHUOAZ-UHFFFAOYSA-N	1	1	352.866	2.269	20	30		FEEDMO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H]1CN(CC(C)C)CCO1	ZINC000661118446	678437126	/nfs/dbraw/zinc/43/71/26/678437126.db2.gz	DVNIZHUBITUDIP-QYZOEREBSA-N	1	1	351.535	2.184	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@](CO)(OC)C1	ZINC000661392681	678475650	/nfs/dbraw/zinc/47/56/50/678475650.db2.gz	XLHJTXUMZONNAL-QAPCUYQASA-N	1	1	352.500	2.125	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)C1=O	ZINC000839973981	680790995	/nfs/dbraw/zinc/79/09/95/680790995.db2.gz	NFCCSTVXQLSRAZ-OAHLLOKOSA-N	1	1	352.479	2.104	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)C1=O	ZINC000839973981	680790996	/nfs/dbraw/zinc/79/09/96/680790996.db2.gz	NFCCSTVXQLSRAZ-OAHLLOKOSA-N	1	1	352.479	2.104	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1=O	ZINC000839990675	680791523	/nfs/dbraw/zinc/79/15/23/680791523.db2.gz	JLCVJAFKFXLKNN-OAHLLOKOSA-N	1	1	352.479	2.056	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1=O	ZINC000839990675	680791524	/nfs/dbraw/zinc/79/15/24/680791524.db2.gz	JLCVJAFKFXLKNN-OAHLLOKOSA-N	1	1	352.479	2.056	20	30		FEEDMO
C=CCN1CCN(C[NH+]2CCC(n3cc(Br)cn3)CC2)C1=O	ZINC000839991940	680791796	/nfs/dbraw/zinc/79/17/96/680791796.db2.gz	HBTBLNPFIFKQIO-UHFFFAOYSA-N	1	1	368.279	2.164	20	30		FEEDMO
C#C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCCO1	ZINC000763777433	680792003	/nfs/dbraw/zinc/79/20/03/680792003.db2.gz	DIHUQFXOFYIHHS-HRCADAONSA-N	1	1	363.255	2.325	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC(=O)NC	ZINC000764204239	680802613	/nfs/dbraw/zinc/80/26/13/680802613.db2.gz	OMJIHZXVNSJSHN-LBPRGKRZSA-N	1	1	362.499	2.141	20	30		FEEDMO
CCO[C@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)C1(CC)CC	ZINC000748245065	679945360	/nfs/dbraw/zinc/94/53/60/679945360.db2.gz	VFRMPLNADOOYGF-INIZCTEOSA-N	1	1	370.563	2.144	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CCOCC2)CC1(C)C	ZINC000975052599	680008598	/nfs/dbraw/zinc/00/85/98/680008598.db2.gz	BFFNWLPXNLCHFJ-FGTMMUONSA-N	1	1	350.503	2.221	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2csc(C)n2)CC1(C)C	ZINC000975064268	680011283	/nfs/dbraw/zinc/01/12/83/680011283.db2.gz	MPVDTXVRHZHQDU-IXDOHACOSA-N	1	1	363.527	2.412	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1	ZINC000975212410	680022000	/nfs/dbraw/zinc/02/20/00/680022000.db2.gz	OSQTYLYBGRYEFB-NUEKZKHPSA-N	1	1	367.921	2.309	20	30		FEEDMO
C=C(C)[C@@H](CO)[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2	ZINC000832031416	680079020	/nfs/dbraw/zinc/07/90/20/680079020.db2.gz	ZTIUUOFPCBWKBV-JKSUJKDBSA-N	1	1	354.491	2.177	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C3CC3)s2)C1	ZINC001018862438	680084472	/nfs/dbraw/zinc/08/44/72/680084472.db2.gz	CQDSTAYCDBKZAC-ZNMIVQPWSA-N	1	1	362.499	2.087	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1	ZINC001022423459	680213812	/nfs/dbraw/zinc/21/38/12/680213812.db2.gz	APFDSQKMLTUBDW-HRCADAONSA-N	1	1	367.921	2.309	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](CC[C@H]2CCOC2)CC1	ZINC000982135029	680270447	/nfs/dbraw/zinc/27/04/47/680270447.db2.gz	NYLNZFBPFBMMDZ-FHWLQOOXSA-N	1	1	350.503	2.319	20	30		FEEDMO
C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001024508335	680294628	/nfs/dbraw/zinc/29/46/28/680294628.db2.gz	IGVUASGJAHEQED-KFWWJZLASA-N	1	1	364.408	2.270	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nn(C)cc1Cl	ZINC001025090176	680313141	/nfs/dbraw/zinc/31/31/41/680313141.db2.gz	DDINYLWEFZIZNP-CPUCHLNUSA-N	1	1	366.893	2.135	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nncs1	ZINC001025109187	680313925	/nfs/dbraw/zinc/31/39/25/680313925.db2.gz	RMKJFIGKSNHBFV-ZOBUZTSGSA-N	1	1	364.515	2.380	20	30		FEEDMO
N#Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)CC2)s1	ZINC000996683604	680338491	/nfs/dbraw/zinc/33/84/91/680338491.db2.gz	FLBVVJFNCWOOPU-HZPDHXFCSA-N	1	1	355.467	2.227	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1snnc1C	ZINC001028190628	680371920	/nfs/dbraw/zinc/37/19/20/680371920.db2.gz	XHRVFNUSEHXEIR-ZOBUZTSGSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1snnc1C	ZINC001028190628	680371925	/nfs/dbraw/zinc/37/19/25/680371925.db2.gz	XHRVFNUSEHXEIR-ZOBUZTSGSA-N	1	1	364.515	2.298	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCCCNc2cccc(S(N)(=O)=O)c2C#N)C1	ZINC000754981438	680391680	/nfs/dbraw/zinc/39/16/80/680391680.db2.gz	YILGJVLSQPTCJM-AWEZNQCLSA-N	1	1	350.488	2.130	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CCc2c(F)cccc2F)C1	ZINC001031987957	680410682	/nfs/dbraw/zinc/41/06/82/680410682.db2.gz	FADCBEWRHFCLQA-QAPCUYQASA-N	1	1	350.409	2.146	20	30		FEEDMO
CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ccc(C#N)s2)C1	ZINC001033834659	680425083	/nfs/dbraw/zinc/42/50/83/680425083.db2.gz	SDHGUWGZQKHGDQ-IIDMSEBBSA-N	1	1	360.527	2.383	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](c1ccccc1)N1CCSCC1	ZINC000755664980	680427364	/nfs/dbraw/zinc/42/73/64/680427364.db2.gz	ZLEZEZJVLHNWAI-RBUKOAKNSA-N	1	1	358.507	2.417	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1cc(F)cc(Br)c1	ZINC000836231120	680438620	/nfs/dbraw/zinc/43/86/20/680438620.db2.gz	VLLYYDZVZNQBJX-UHFFFAOYSA-N	1	1	356.239	2.343	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCc2cccs2)CCO1	ZINC001035370110	680445004	/nfs/dbraw/zinc/44/50/04/680445004.db2.gz	HRJCSEHWOOMARD-NXHRZFHOSA-N	1	1	364.511	2.089	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2cccs2)CCO1	ZINC001035370110	680445006	/nfs/dbraw/zinc/44/50/06/680445006.db2.gz	HRJCSEHWOOMARD-NXHRZFHOSA-N	1	1	364.511	2.089	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCc1ccc(Br)cc1F	ZINC000836290375	680445898	/nfs/dbraw/zinc/44/58/98/680445898.db2.gz	YPZZWLMLKCDEHV-UHFFFAOYSA-N	1	1	370.266	2.385	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](CCc2csc(C)n2)CC1	ZINC001001162820	680452673	/nfs/dbraw/zinc/45/26/73/680452673.db2.gz	IIIRMKOFKCVFEU-MSOLQXFVSA-N	1	1	361.511	2.333	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3nc(Cl)c(C#N)s3)[C@@H]2C)CC[N@H+]1C	ZINC001040274061	680470378	/nfs/dbraw/zinc/47/03/78/680470378.db2.gz	IUEHIQMJPJMHRS-KXNHARMFSA-N	1	1	367.906	2.410	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCc2ccc(Br)cc2C1	ZINC000836490396	680476483	/nfs/dbraw/zinc/47/64/83/680476483.db2.gz	YTIXSOJGPOOUSR-UHFFFAOYSA-N	1	1	364.287	2.472	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC000756545465	680484300	/nfs/dbraw/zinc/48/43/00/680484300.db2.gz	YBUVVCCLMVVTGK-LSDHHAIUSA-N	1	1	360.841	2.334	20	30		FEEDMO
C=C(Br)CN1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1	ZINC001005411473	680574607	/nfs/dbraw/zinc/57/46/07/680574607.db2.gz	CBNQYDQPHBSQPZ-UKRRQHHQSA-N	1	1	358.324	2.158	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(OC)ns2)C1	ZINC001046327067	680645696	/nfs/dbraw/zinc/64/56/96/680645696.db2.gz	FSCBSRMXTFUAPG-VKJFTORMSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2cc(OC)ns2)C1	ZINC001046327067	680645700	/nfs/dbraw/zinc/64/57/00/680645700.db2.gz	FSCBSRMXTFUAPG-VKJFTORMSA-N	1	1	365.499	2.214	20	30		FEEDMO
C[C@@]1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@H+](Cc2ccc(C#N)s2)C1	ZINC001046499085	680650067	/nfs/dbraw/zinc/65/00/67/680650067.db2.gz	PYNNRYNVQYIXQT-MPTZMVSHSA-N	1	1	357.479	2.124	20	30		FEEDMO
C[C@@]1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC001046499085	680650069	/nfs/dbraw/zinc/65/00/69/680650069.db2.gz	PYNNRYNVQYIXQT-MPTZMVSHSA-N	1	1	357.479	2.124	20	30		FEEDMO
C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3ncc(C#N)cc3Cl)C2)C1	ZINC001047310843	680660127	/nfs/dbraw/zinc/66/01/27/680660127.db2.gz	XWAFZBMDOMAVSK-NWANDNLSSA-N	1	1	361.877	2.255	20	30		FEEDMO
C=CCOc1c(Br)cc(C=NNC2=[NH+]CCN2)cc1OCC	ZINC000841659884	680904957	/nfs/dbraw/zinc/90/49/57/680904957.db2.gz	AJNWNZYALPFETD-UHFFFAOYSA-N	1	1	367.247	2.295	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000768129243	680938689	/nfs/dbraw/zinc/93/86/89/680938689.db2.gz	YLKOEZGFZXTOOH-SFHVURJKSA-N	1	1	354.539	2.442	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000768129243	680938691	/nfs/dbraw/zinc/93/86/91/680938691.db2.gz	YLKOEZGFZXTOOH-SFHVURJKSA-N	1	1	354.539	2.442	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1	ZINC000768384865	680945584	/nfs/dbraw/zinc/94/55/84/680945584.db2.gz	DIGQVFQOMOAPSB-HOTGVXAUSA-N	1	1	355.479	2.053	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1	ZINC000768384865	680945585	/nfs/dbraw/zinc/94/55/85/680945585.db2.gz	DIGQVFQOMOAPSB-HOTGVXAUSA-N	1	1	355.479	2.053	20	30		FEEDMO
CCCN(C(=O)c1cccs1)C1CC[NH+](CC(=O)NCCC#N)CC1	ZINC000769941192	681001332	/nfs/dbraw/zinc/00/13/32/681001332.db2.gz	IFBYKPRUSFANOQ-UHFFFAOYSA-N	1	1	362.499	2.095	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](CC(=C)Br)C[C@H]21	ZINC001050144312	681042320	/nfs/dbraw/zinc/04/23/20/681042320.db2.gz	ODLLOQACMACNOG-JJXSEGSLSA-N	1	1	369.303	2.409	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](CC(=C)Br)C[C@H]21	ZINC001050144312	681042326	/nfs/dbraw/zinc/04/23/26/681042326.db2.gz	ODLLOQACMACNOG-JJXSEGSLSA-N	1	1	369.303	2.409	20	30		FEEDMO
CC(C)N(CC(F)(F)F)C(=O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1	ZINC000844370839	681054663	/nfs/dbraw/zinc/05/46/63/681054663.db2.gz	UKKHSZFSLHOVLC-OAHLLOKOSA-N	1	1	357.376	2.323	20	30		FEEDMO
CC(C)N(CC(F)(F)F)C(=O)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1	ZINC000844370839	681054661	/nfs/dbraw/zinc/05/46/61/681054661.db2.gz	UKKHSZFSLHOVLC-OAHLLOKOSA-N	1	1	357.376	2.323	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1c1nc(Cl)c(C#N)s1	ZINC001051014733	681059836	/nfs/dbraw/zinc/05/98/36/681059836.db2.gz	CMKUMUMXZRQSAM-TUAOUCFPSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001052493130	681079986	/nfs/dbraw/zinc/07/99/86/681079986.db2.gz	OGJWNBQZAXDHHZ-KFWWJZLASA-N	1	1	364.408	2.270	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCOC2(C[NH+](CCC(C)C)C2)C1	ZINC001053464893	681098577	/nfs/dbraw/zinc/09/85/77/681098577.db2.gz	AVCQQYXUNWHYHS-ROUUACIJSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1	ZINC000772547837	681102550	/nfs/dbraw/zinc/10/25/50/681102550.db2.gz	SNJGAXVBDWHBFY-IRXDYDNUSA-N	1	1	350.821	2.477	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1	ZINC000772547837	681102552	/nfs/dbraw/zinc/10/25/52/681102552.db2.gz	SNJGAXVBDWHBFY-IRXDYDNUSA-N	1	1	350.821	2.477	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNc1nc(C#N)c(Cl)s1	ZINC001054410278	681107435	/nfs/dbraw/zinc/10/74/35/681107435.db2.gz	UBSIBPZJXKBJIQ-IJLUTSLNSA-N	1	1	367.906	2.126	20	30		FEEDMO
C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000845669896	681143934	/nfs/dbraw/zinc/14/39/34/681143934.db2.gz	XAFDRMTZFJUCFI-HNNXBMFYSA-N	1	1	364.467	2.405	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001058573073	681172849	/nfs/dbraw/zinc/17/28/49/681172849.db2.gz	BIPJLCMVUDBPDA-NTZNESFSSA-N	1	1	367.906	2.093	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001059096859	681178791	/nfs/dbraw/zinc/17/87/91/681178791.db2.gz	QEZUZTMSVYKSGT-OUAUKWLOSA-N	1	1	353.879	2.021	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3nccs3)C[C@H]2CC1	ZINC000946786366	681261133	/nfs/dbraw/zinc/26/11/33/681261133.db2.gz	IYMRGBRBVZLUDA-TWMKSMIVSA-N	1	1	361.511	2.405	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2ncc(C(=O)OC)s2)C1	ZINC000932663979	681280189	/nfs/dbraw/zinc/28/01/89/681280189.db2.gz	KOMODXJEKGSZHS-KBPBESRZSA-N	1	1	363.483	2.308	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](c2ncc(C(=O)OC)s2)C1	ZINC000932663979	681280192	/nfs/dbraw/zinc/28/01/92/681280192.db2.gz	KOMODXJEKGSZHS-KBPBESRZSA-N	1	1	363.483	2.308	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@H](C)C1	ZINC000775560761	681314568	/nfs/dbraw/zinc/31/45/68/681314568.db2.gz	IILSRJBXAFXZBK-CQSZACIVSA-N	1	1	365.861	2.312	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)c1ccc(F)cc1Cl	ZINC000775643663	681320751	/nfs/dbraw/zinc/32/07/51/681320751.db2.gz	VJHWMKILUDZEQC-OAHLLOKOSA-N	1	1	351.813	2.254	20	30		FEEDMO
O=C1CC[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1	ZINC000932945264	681333074	/nfs/dbraw/zinc/33/30/74/681333074.db2.gz	UKYGQGNAYFJYAO-BIIVOSGPSA-N	1	1	366.252	2.368	20	30		FEEDMO
C[S@](=O)CC[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932945126	681333138	/nfs/dbraw/zinc/33/31/38/681333138.db2.gz	RNPPCTKSVRONBY-PPIYEZFJSA-N	1	1	359.282	2.468	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H](C)C(=O)Nc1sc(C)cc1C(=O)OCC)[C@@H]1CCCO1	ZINC000775791270	681335370	/nfs/dbraw/zinc/33/53/70/681335370.db2.gz	LOSITBQMXJMFPQ-QEJZJMRPSA-N	1	1	364.467	2.331	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)C[C@H](O)CCO3)cc1Cl	ZINC000933066810	681358228	/nfs/dbraw/zinc/35/82/28/681358228.db2.gz	LKBOWVPKYOPBDB-OAHLLOKOSA-N	1	1	363.845	2.156	20	30		FEEDMO
C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000934467562	681574957	/nfs/dbraw/zinc/57/49/57/681574957.db2.gz	OOUDQXQDOQIGEB-QGZVFWFLSA-N	1	1	359.495	2.465	20	30		FEEDMO
C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000934467562	681574963	/nfs/dbraw/zinc/57/49/63/681574963.db2.gz	OOUDQXQDOQIGEB-QGZVFWFLSA-N	1	1	359.495	2.465	20	30		FEEDMO
C=CCCC[N@H+](CC)[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000934648416	681605971	/nfs/dbraw/zinc/60/59/71/681605971.db2.gz	OMFVBBZGOONKRZ-CABCVRRESA-N	1	1	367.515	2.188	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC000950928937	681718204	/nfs/dbraw/zinc/71/82/04/681718204.db2.gz	ISUNGARNYXYLAH-VHDGCEQUSA-N	1	1	355.910	2.213	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21	ZINC000959943559	682012360	/nfs/dbraw/zinc/01/23/60/682012360.db2.gz	DVULYYFVHQMOQO-ZBRFXRBCSA-N	1	1	357.479	2.147	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)c(C)s3)C[C@H]21	ZINC000959948648	682013217	/nfs/dbraw/zinc/01/32/17/682013217.db2.gz	UUPQZEVHYIHFFG-LFRCEIEQSA-N	1	1	361.511	2.288	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)c(C)s3)C[C@H]21	ZINC000959948648	682013221	/nfs/dbraw/zinc/01/32/21/682013221.db2.gz	UUPQZEVHYIHFFG-LFRCEIEQSA-N	1	1	361.511	2.288	20	30		FEEDMO
C[N@H+](CC(=O)OCC#Cc1ccc(Br)cn1)[C@H]1CCSC1	ZINC000851276755	682043484	/nfs/dbraw/zinc/04/34/84/682043484.db2.gz	VVHVQJQEEBRJJK-AWEZNQCLSA-N	1	1	369.284	2.176	20	30		FEEDMO
C[N@@H+](CC(=O)OCC#Cc1ccc(Br)cn1)[C@H]1CCSC1	ZINC000851276755	682043494	/nfs/dbraw/zinc/04/34/94/682043494.db2.gz	VVHVQJQEEBRJJK-AWEZNQCLSA-N	1	1	369.284	2.176	20	30		FEEDMO
C=CCn1c2nnc(SC[C@@H]3CCC[N@@H+]3C)n2c2ccccc2c1=O	ZINC000915244221	685513578	/nfs/dbraw/zinc/51/35/78/685513578.db2.gz	RTGOOYGDTFZZTK-ZDUSSCGKSA-N	1	1	355.467	2.417	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC000961376951	682090989	/nfs/dbraw/zinc/09/09/89/682090989.db2.gz	UKSCXYYZPYLVFL-JQHSSLGASA-N	1	1	370.921	2.493	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCC([NH2+]Cc2cnsn2)CC1	ZINC000964021924	682155513	/nfs/dbraw/zinc/15/55/13/682155513.db2.gz	NGZCFPBYGUUHFC-KMZOKZLKSA-N	1	1	364.515	2.379	20	30		FEEDMO
C#CCOCCNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000784399827	682222925	/nfs/dbraw/zinc/22/29/25/682222925.db2.gz	DRWUIJBGFUCULR-PBHICJAKSA-N	1	1	367.852	2.421	20	30		FEEDMO
C#CCOCC[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)C1	ZINC000852190001	682236599	/nfs/dbraw/zinc/23/65/99/682236599.db2.gz	GARRWWCDZNNFJN-JKSUJKDBSA-N	1	1	366.255	2.287	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)c2cc(Br)cnc2C#N)C[C@H](C)O1	ZINC000853550157	682431732	/nfs/dbraw/zinc/43/17/32/682431732.db2.gz	CXYKJSSIPGFWDP-TXEJJXNPSA-N	1	1	353.264	2.261	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)c2cc(Br)cnc2C#N)C[C@H](C)O1	ZINC000853550157	682431734	/nfs/dbraw/zinc/43/17/34/682431734.db2.gz	CXYKJSSIPGFWDP-TXEJJXNPSA-N	1	1	353.264	2.261	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnc(Br)c(OC)c1	ZINC000788357175	682523332	/nfs/dbraw/zinc/52/33/32/682523332.db2.gz	ZNQVXJBNICHFGR-GFCCVEGCSA-N	1	1	353.216	2.107	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc(Br)c(OC)c1	ZINC000788357175	682523335	/nfs/dbraw/zinc/52/33/35/682523335.db2.gz	ZNQVXJBNICHFGR-GFCCVEGCSA-N	1	1	353.216	2.107	20	30		FEEDMO
C=CCn1c(C2CC2)nn(CN(C)[C@@H](C)C[NH+]2CCOCC2)c1=S	ZINC000788377224	682525664	/nfs/dbraw/zinc/52/56/64/682525664.db2.gz	KHTBXRXJQRVAAK-AWEZNQCLSA-N	1	1	351.520	2.087	20	30		FEEDMO
CC(C)C#CC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1	ZINC000854853241	682601287	/nfs/dbraw/zinc/60/12/87/682601287.db2.gz	SMKBGFHEWMQGOQ-UHFFFAOYSA-N	1	1	365.275	2.194	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000855336234	682658950	/nfs/dbraw/zinc/65/89/50/682658950.db2.gz	LDAPIBOBCUCIKE-SFHVURJKSA-N	1	1	364.490	2.481	20	30		FEEDMO
C#CCCCS(=O)(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1	ZINC000791418074	682741771	/nfs/dbraw/zinc/74/17/71/682741771.db2.gz	UPKIPNBUUKKAGG-QGZVFWFLSA-N	1	1	350.484	2.165	20	30		FEEDMO
CC[C@H](C)CON=C(C)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1	ZINC000793158231	682868150	/nfs/dbraw/zinc/86/81/50/682868150.db2.gz	DZNFVEPHFBFALX-AWEZNQCLSA-N	1	1	353.488	2.067	20	30		FEEDMO
C#CC(C)(C)[N@@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC	ZINC000794574228	682980497	/nfs/dbraw/zinc/98/04/97/682980497.db2.gz	DNNLHDOSOFKQKI-UHFFFAOYSA-N	1	1	362.499	2.150	20	30		FEEDMO
C#CC(C)(C)[N@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC	ZINC000794574228	682980502	/nfs/dbraw/zinc/98/05/02/682980502.db2.gz	DNNLHDOSOFKQKI-UHFFFAOYSA-N	1	1	362.499	2.150	20	30		FEEDMO
N#Cc1ccc(NCC[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)nc1	ZINC000927162500	683213028	/nfs/dbraw/zinc/21/30/28/683213028.db2.gz	FLDMREXNBHUUDF-HNNXBMFYSA-N	1	1	360.414	2.013	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21	ZINC000860529683	683256564	/nfs/dbraw/zinc/25/65/64/683256564.db2.gz	KEFKOAPDDUMOQY-QWHCGFSZSA-N	1	1	355.360	2.420	20	30		FEEDMO
Cc1nn(-c2ccc(Cl)cc2)cc1C=NNCCC[NH+]1CCOCC1	ZINC000799489164	683460315	/nfs/dbraw/zinc/46/03/15/683460315.db2.gz	PVGKZCLGVYAQCG-UHFFFAOYSA-N	1	1	361.877	2.480	20	30		FEEDMO
COc1cc(C=NNCCC[NH+]2CCOCC2)c(SC)cc1OC	ZINC000799488530	683460374	/nfs/dbraw/zinc/46/03/74/683460374.db2.gz	SPJAKIWRVIKSFS-UHFFFAOYSA-N	1	1	353.488	2.072	20	30		FEEDMO
C#C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1	ZINC000861884254	683492646	/nfs/dbraw/zinc/49/26/46/683492646.db2.gz	KOJDJVZPFJHCGH-KZNAEPCWSA-N	1	1	354.475	2.074	20	30		FEEDMO
CCN1CCN([C@@H](C)C[NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921529735	683494116	/nfs/dbraw/zinc/49/41/16/683494116.db2.gz	OPMGZFBZXVJLFM-AWEZNQCLSA-N	1	1	365.319	2.436	20	30		FEEDMO
C#CC[C@H](CO)NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000921701730	683548998	/nfs/dbraw/zinc/54/89/98/683548998.db2.gz	BNPWCLWIWIDMNX-VBQJREDUSA-N	1	1	367.852	2.155	20	30		FEEDMO
CC[N@H+](C[C@@H](C)C#N)C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1	ZINC000929429540	683595477	/nfs/dbraw/zinc/59/54/77/683595477.db2.gz	MXKYXIDTXBAMOS-KBPBESRZSA-N	1	1	351.447	2.021	20	30		FEEDMO
CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1	ZINC000929429540	683595481	/nfs/dbraw/zinc/59/54/81/683595481.db2.gz	MXKYXIDTXBAMOS-KBPBESRZSA-N	1	1	351.447	2.021	20	30		FEEDMO
Cc1cn2c(nc(C[N@@H+](C)C[C@H](O)c3cccc(C#N)c3)cc2=O)s1	ZINC000930844534	683791917	/nfs/dbraw/zinc/79/19/17/683791917.db2.gz	CSOBMAKRGYQKOE-INIZCTEOSA-N	1	1	354.435	2.102	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000865007110	683922125	/nfs/dbraw/zinc/92/21/25/683922125.db2.gz	NACYAZOKESTFCR-TZMCWYRMSA-N	1	1	357.882	2.375	20	30		FEEDMO
N#Cc1cccc(Br)c1NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000865965973	684053810	/nfs/dbraw/zinc/05/38/10/684053810.db2.gz	RVIVRCDGEWHNGU-ZDUSSCGKSA-N	1	1	351.248	2.072	20	30		FEEDMO
N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H]1CC[N@H+]1C1CCCCCC1	ZINC000866192631	684081830	/nfs/dbraw/zinc/08/18/30/684081830.db2.gz	LLYLBDPVCBHDAM-INIZCTEOSA-N	1	1	362.499	2.415	20	30		FEEDMO
N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H]1CC[N@H+]1C1CCCCCC1	ZINC000866192632	684081924	/nfs/dbraw/zinc/08/19/24/684081924.db2.gz	LLYLBDPVCBHDAM-MRXNPFEDSA-N	1	1	362.499	2.415	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2cn(C(C)(C)C)nc2Br)C1	ZINC000923564361	684306562	/nfs/dbraw/zinc/30/65/62/684306562.db2.gz	XAMJSUQAOLFSNQ-LBPRGKRZSA-N	1	1	367.291	2.228	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cn(C(C)(C)C)nc2Br)C1	ZINC000923564361	684306568	/nfs/dbraw/zinc/30/65/68/684306568.db2.gz	XAMJSUQAOLFSNQ-LBPRGKRZSA-N	1	1	367.291	2.228	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1	ZINC000923582210	684308264	/nfs/dbraw/zinc/30/82/64/684308264.db2.gz	HCUOBOFCNRZPBJ-LBPRGKRZSA-N	1	1	356.392	2.484	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1	ZINC000923582210	684308267	/nfs/dbraw/zinc/30/82/67/684308267.db2.gz	HCUOBOFCNRZPBJ-LBPRGKRZSA-N	1	1	356.392	2.484	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2I)C1	ZINC000923596647	684311157	/nfs/dbraw/zinc/31/11/57/684311157.db2.gz	KBAITJYHYAMGHQ-GFCCVEGCSA-N	1	1	368.218	2.119	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2I)C1	ZINC000923596647	684311162	/nfs/dbraw/zinc/31/11/62/684311162.db2.gz	KBAITJYHYAMGHQ-GFCCVEGCSA-N	1	1	368.218	2.119	20	30		FEEDMO
N#Cc1sc(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)nc1Cl	ZINC000931725151	684337553	/nfs/dbraw/zinc/33/75/53/684337553.db2.gz	SQVCBAOTOFJCEI-IUCAKERBSA-N	1	1	357.892	2.369	20	30		FEEDMO
N#Cc1sc(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)nc1Cl	ZINC000931725149	684337612	/nfs/dbraw/zinc/33/76/12/684337612.db2.gz	SQVCBAOTOFJCEI-BDAKNGLRSA-N	1	1	357.892	2.369	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](C3OCCO3)C2)sc2c1CCC2	ZINC000932005812	684387919	/nfs/dbraw/zinc/38/79/19/684387919.db2.gz	WZHOMCGDPWUPAV-LBPRGKRZSA-N	1	1	361.467	2.132	20	30		FEEDMO
N#C[C@@]1(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CCCOC1	ZINC000867797681	684389420	/nfs/dbraw/zinc/38/94/20/684389420.db2.gz	BJWPHKQAXGCOKZ-MJGOQNOKSA-N	1	1	359.495	2.041	20	30		FEEDMO
N#C[C@@]1(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CCCOC1	ZINC000867797681	684389426	/nfs/dbraw/zinc/38/94/26/684389426.db2.gz	BJWPHKQAXGCOKZ-MJGOQNOKSA-N	1	1	359.495	2.041	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC[C@H]21	ZINC000867812240	684396830	/nfs/dbraw/zinc/39/68/30/684396830.db2.gz	ISFLBMHBUUHVLN-TZMCWYRMSA-N	1	1	373.400	2.292	20	30		FEEDMO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1nnc(CC(F)(F)F)s1	ZINC000867928119	684427084	/nfs/dbraw/zinc/42/70/84/684427084.db2.gz	WEDUNQUTIMBHIL-LBPRGKRZSA-N	1	1	367.356	2.340	20	30		FEEDMO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1nnc(C(F)(F)F)s1	ZINC000867946119	684430447	/nfs/dbraw/zinc/43/04/47/684430447.db2.gz	BWGDBZAPAWQSTM-SNVBAGLBSA-N	1	1	353.329	2.254	20	30		FEEDMO
N#Cc1cccc(C2(NC(=O)N[C@H]3CCC[N@H+]4CCSC[C@H]34)CC2)c1	ZINC000925165850	684533764	/nfs/dbraw/zinc/53/37/64/684533764.db2.gz	LHJPYGDLSDZYPY-DLBZAZTESA-N	1	1	356.495	2.426	20	30		FEEDMO
CN(CCc1cccc(C#N)c1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12	ZINC000925167226	684534126	/nfs/dbraw/zinc/53/41/26/684534126.db2.gz	AYEKMUJXWQGAGI-ZWKOTPCHSA-N	1	1	358.511	2.322	20	30		FEEDMO
C[C@H](Nc1cc2n(n1)CC[N@@H+](C)C2)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000871929265	684884464	/nfs/dbraw/zinc/88/44/64/684884464.db2.gz	VZWHAHIBVLJHJA-NSHDSACASA-N	1	1	358.833	2.293	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ncc(Br)s2)cc1	ZINC000872241248	684931330	/nfs/dbraw/zinc/93/13/30/684931330.db2.gz	ZKTUZOQOYJGVAN-NSHDSACASA-N	1	1	368.256	2.307	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCN1CCN(c2cccc(C)c2)CC1	ZINC000876782807	686268428	/nfs/dbraw/zinc/26/84/28/686268428.db2.gz	VAWSWQPJLVBULX-GOSISDBHSA-N	1	1	364.921	2.093	20	30		FEEDMO
C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1	ZINC000878136484	686528094	/nfs/dbraw/zinc/52/80/94/686528094.db2.gz	AEXSYLQJBWWZGM-OLZOCXBDSA-N	1	1	350.381	2.227	20	30		FEEDMO
C[C@H](C#N)OCC[N@@H+]1C[C@@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880219654	687018003	/nfs/dbraw/zinc/01/80/03/687018003.db2.gz	PVTLRFDYHAMXGR-IIDMSEBBSA-N	1	1	353.463	2.015	20	30		FEEDMO
C[C@H](C#N)OCC[N@H+]1C[C@@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880219654	687018007	/nfs/dbraw/zinc/01/80/07/687018007.db2.gz	PVTLRFDYHAMXGR-IIDMSEBBSA-N	1	1	353.463	2.015	20	30		FEEDMO
C=CC[C@H](C(=O)OC)[NH+]1CCC(Cc2ncc(C(=O)OC)s2)CC1	ZINC000880275697	687027451	/nfs/dbraw/zinc/02/74/51/687027451.db2.gz	URJGPAMPYNUIGU-CYBMUJFWSA-N	1	1	352.456	2.302	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+]2CC[C@H](c3nc(C)c(C(=O)OCC)s3)C2)C1=O	ZINC000880326083	687035955	/nfs/dbraw/zinc/03/59/55/687035955.db2.gz	ZGSFGIGHTPHSHI-UONOGXRCSA-N	1	1	363.483	2.204	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](c3nc(C)c(C(=O)OCC)s3)C2)C1=O	ZINC000880326083	687035960	/nfs/dbraw/zinc/03/59/60/687035960.db2.gz	ZGSFGIGHTPHSHI-UONOGXRCSA-N	1	1	363.483	2.204	20	30		FEEDMO
C#CCC1(O)CC[NH+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1	ZINC000880480990	687052966	/nfs/dbraw/zinc/05/29/66/687052966.db2.gz	JZAGDXCQHURDLU-INIZCTEOSA-N	1	1	350.821	2.435	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-]	ZINC000881864614	687238532	/nfs/dbraw/zinc/23/85/32/687238532.db2.gz	WNYIFQVSTRRNJW-ZDUSSCGKSA-N	1	1	366.215	2.071	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-]	ZINC000881864614	687238535	/nfs/dbraw/zinc/23/85/35/687238535.db2.gz	WNYIFQVSTRRNJW-ZDUSSCGKSA-N	1	1	366.215	2.071	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C(F)(F)F	ZINC000884951631	687972601	/nfs/dbraw/zinc/97/26/01/687972601.db2.gz	GUZQBHUWZDYTJA-STQMWFEESA-N	1	1	373.400	2.482	20	30		FEEDMO
C=CCC1(O)CC[NH+](CC(=O)N[C@@H](C)Cc2c(F)cccc2F)CC1	ZINC000886767077	688304444	/nfs/dbraw/zinc/30/44/44/688304444.db2.gz	ZGBRGQUJYMXOLQ-AWEZNQCLSA-N	1	1	352.425	2.415	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](c2cccs2)C2(CO)CCC2)C1	ZINC000890363334	688910799	/nfs/dbraw/zinc/91/07/99/688910799.db2.gz	MURBVKWWZQBQPX-DOTOQJQBSA-N	1	1	361.511	2.349	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](c2cccs2)C2(CO)CCC2)C1	ZINC000890363334	688910801	/nfs/dbraw/zinc/91/08/01/688910801.db2.gz	MURBVKWWZQBQPX-DOTOQJQBSA-N	1	1	361.511	2.349	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H]1C[C@@]1(C)Br	ZINC000892223390	689166686	/nfs/dbraw/zinc/16/66/86/689166686.db2.gz	IAUKJEZWMWZXHQ-LALPHHSUSA-N	1	1	350.264	2.032	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H]1C[C@@]1(C)Br	ZINC000892223390	689166689	/nfs/dbraw/zinc/16/66/89/689166689.db2.gz	IAUKJEZWMWZXHQ-LALPHHSUSA-N	1	1	350.264	2.032	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)NCc2nc(C#N)cs2)C[N@H+]1Cc1ccccc1	ZINC000893621238	689376546	/nfs/dbraw/zinc/37/65/46/689376546.db2.gz	LCGRGXJYQIRYCM-ZFWWWQNUSA-N	1	1	355.467	2.477	20	30		FEEDMO
C=CCN1CCC([NH2+]Cc2sc(N3CCOCC3)nc2Cl)CC1	ZINC000894229573	689490862	/nfs/dbraw/zinc/49/08/62/689490862.db2.gz	UBEXBKKCWFHAJK-UHFFFAOYSA-N	1	1	356.923	2.373	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2nccc3c2CCCC3)c1	ZINC000905517672	691130715	/nfs/dbraw/zinc/13/07/15/691130715.db2.gz	SURIONQETJXXBH-UHFFFAOYSA-N	1	1	355.463	2.396	20	30		FEEDMO
COCCN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000906502377	691277908	/nfs/dbraw/zinc/27/79/08/691277908.db2.gz	QWRBHDOSMYHXJR-KRWDZBQOSA-N	1	1	365.499	2.070	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)nc1	ZINC000906855038	691329188	/nfs/dbraw/zinc/32/91/88/691329188.db2.gz	WRBYBLVMXDGHBG-UHFFFAOYSA-N	1	1	362.499	2.230	20	30		FEEDMO
C#C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccc(Br)cc1	ZINC000908516392	691692521	/nfs/dbraw/zinc/69/25/21/691692521.db2.gz	IELVHSFCGWCDLF-DOTOQJQBSA-N	1	1	365.271	2.086	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@@H]21	ZINC001164667753	719479770	/nfs/dbraw/zinc/47/97/70/719479770.db2.gz	MPYMHGMVZPTJHE-HOCLYGCPSA-N	1	1	371.828	2.313	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ncc1C#N)C2	ZINC001164813175	720088156	/nfs/dbraw/zinc/08/81/56/720088156.db2.gz	SWHULXSFEHZKEK-CRAIPNDOSA-N	1	1	361.877	2.186	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164726910	720371723	/nfs/dbraw/zinc/37/17/23/720371723.db2.gz	PVTQOICXPLIRCG-DLBZAZTESA-N	1	1	350.382	2.110	20	30		FEEDMO
N#Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1	ZINC001164725992	720379584	/nfs/dbraw/zinc/37/95/84/720379584.db2.gz	OIQILEPZNHGSLZ-HZPDHXFCSA-N	1	1	350.382	2.110	20	30		FEEDMO
COc1nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(F)cc1C#N	ZINC001164732877	720427772	/nfs/dbraw/zinc/42/77/72/720427772.db2.gz	OTPPMUFDCIYNOC-SJORKVTESA-N	1	1	353.401	2.349	20	30		FEEDMO
COc1nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c(F)cc1C#N	ZINC001164732875	720428610	/nfs/dbraw/zinc/42/86/10/720428610.db2.gz	OTPPMUFDCIYNOC-IRXDYDNUSA-N	1	1	353.401	2.349	20	30		FEEDMO
Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C#N)n1	ZINC001164844180	720589020	/nfs/dbraw/zinc/58/90/20/720589020.db2.gz	ZQEDSWZJZUFGBN-JENIJYKNSA-N	1	1	365.485	2.231	20	30		FEEDMO
N#Cc1cnc2cc[nH]c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c1-2	ZINC001164789009	721422483	/nfs/dbraw/zinc/42/24/83/721422483.db2.gz	UFCJGNZXABROAG-OKILXGFUSA-N	1	1	350.451	2.459	20	30		FEEDMO
COc1cc(C#N)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1	ZINC001164906324	721537252	/nfs/dbraw/zinc/53/72/52/721537252.db2.gz	JSBLUBUGUMJVBG-VQIMIIECSA-N	1	1	368.412	2.443	20	30		FEEDMO
COc1cc(C#N)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1	ZINC001164906322	721537574	/nfs/dbraw/zinc/53/75/74/721537574.db2.gz	JSBLUBUGUMJVBG-LPHOPBHVSA-N	1	1	368.412	2.443	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(CC#N)ccn2)[C@@H]2CCCO[C@@H]12	ZINC001164805733	721568502	/nfs/dbraw/zinc/56/85/02/721568502.db2.gz	OPKPBGJNHKHWAD-SFHLNBCPSA-N	1	1	363.465	2.411	20	30		FEEDMO
CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC001165039257	721914592	/nfs/dbraw/zinc/91/45/92/721914592.db2.gz	SDSDNWLYGAKBHR-INIZCTEOSA-N	1	1	371.485	2.239	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNc1ccc(C#N)cn1	ZINC000497727512	887337604	/nfs/dbraw/zinc/33/76/04/887337604.db2.gz	NEMIMLJHCUCAHR-IBGZPJMESA-N	1	1	363.465	2.346	20	30		FEEDMO
C#CCOc1ccccc1C[NH2+]CCS(=O)(=O)CCc1ccccc1	ZINC000800312215	674041238	/nfs/dbraw/zinc/04/12/38/674041238.db2.gz	WAKITRFCKFANIZ-UHFFFAOYSA-N	1	1	357.475	2.446	20	30		FEEDMO
Cc1nn(C)c(C)c1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000023753827	539719797	/nfs/dbraw/zinc/71/97/97/539719797.db2.gz	OVFUMSUAQPRRAO-UHFFFAOYSA-N	1	1	365.481	2.186	20	30		FEEDMO
N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1	ZINC000025698438	539766645	/nfs/dbraw/zinc/76/66/45/539766645.db2.gz	DKRDLYYBNFGONU-CTNGQTDRSA-N	1	1	351.450	2.309	20	30		FEEDMO
COC(=O)c1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)cc1	ZINC000026320738	539783147	/nfs/dbraw/zinc/78/31/47/539783147.db2.gz	ZRLMPQVNDLMANS-SFHVURJKSA-N	1	1	354.406	2.217	20	30		FEEDMO
CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000026328511	539783708	/nfs/dbraw/zinc/78/37/08/539783708.db2.gz	AVHUAKTZULHUGR-UHFFFAOYSA-N	1	1	373.478	2.319	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccccc1C#N)[N@@H+]1CCc2ccccc2C1	ZINC000028322745	539829796	/nfs/dbraw/zinc/82/97/96/539829796.db2.gz	UYOILMWMUHSJTD-HNNXBMFYSA-N	1	1	355.463	2.283	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccccc1C#N)[N@H+]1CCc2ccccc2C1	ZINC000028322745	539829800	/nfs/dbraw/zinc/82/98/00/539829800.db2.gz	UYOILMWMUHSJTD-HNNXBMFYSA-N	1	1	355.463	2.283	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCC[C@H](C)C3)CC2)o1	ZINC000029820689	539865379	/nfs/dbraw/zinc/86/53/79/539865379.db2.gz	YROXLTRLTOTOCT-GOEBONIOSA-N	1	1	359.474	2.014	20	30		FEEDMO
C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000031821226	539921220	/nfs/dbraw/zinc/92/12/20/539921220.db2.gz	IHECWWUAOMQLSK-JTQLQIEISA-N	1	1	360.418	2.208	20	30		FEEDMO
CC(C)N(C)C(=O)C1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1	ZINC000042147785	540053541	/nfs/dbraw/zinc/05/35/41/540053541.db2.gz	SZPOYEDUXXVMIN-UHFFFAOYSA-N	1	1	362.518	2.250	20	30		FEEDMO
N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1	ZINC000047104394	540289680	/nfs/dbraw/zinc/28/96/80/540289680.db2.gz	KIRXYDGUPVNUDH-AZUAARDMSA-N	1	1	367.497	2.407	20	30		FEEDMO
Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)s1	ZINC000051098663	540422968	/nfs/dbraw/zinc/42/29/68/540422968.db2.gz	YLYUFFOYDVGMHF-AWEZNQCLSA-N	1	1	362.499	2.011	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1	ZINC000051855480	540446195	/nfs/dbraw/zinc/44/61/95/540446195.db2.gz	WNPDSMMTTAQWGZ-HOTGVXAUSA-N	1	1	354.458	2.268	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(C(F)(F)F)c1	ZINC000053667204	540547678	/nfs/dbraw/zinc/54/76/78/540547678.db2.gz	FTIUXXIOKHXWIE-ZIAGYGMSSA-N	1	1	373.400	2.482	20	30		FEEDMO
Cc1n[nH]c(C)c1NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000055172197	540632643	/nfs/dbraw/zinc/63/26/43/540632643.db2.gz	WLMIGYHKEDJXMK-UHFFFAOYSA-N	1	1	366.469	2.045	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCC[C@@H](C(=O)OCC)C1)Cc1ccc(OC)cc1	ZINC000056291330	540716135	/nfs/dbraw/zinc/71/61/35/540716135.db2.gz	IZYJXQYLFMWTTO-GOSISDBHSA-N	1	1	374.481	2.485	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCC[C@@H](C(=O)OCC)C1)Cc1ccc(OC)cc1	ZINC000056291330	540716137	/nfs/dbraw/zinc/71/61/37/540716137.db2.gz	IZYJXQYLFMWTTO-GOSISDBHSA-N	1	1	374.481	2.485	20	30		FEEDMO
Cc1nccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000056474177	540729027	/nfs/dbraw/zinc/72/90/27/540729027.db2.gz	MMJRPRMSCLPPQH-UHFFFAOYSA-N	1	1	364.453	2.074	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1	ZINC000057800497	540815929	/nfs/dbraw/zinc/81/59/29/540815929.db2.gz	ACQWAOMZEQACCT-KXBFYZLASA-N	1	1	354.458	2.315	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000541097778	541150107	/nfs/dbraw/zinc/15/01/07/541150107.db2.gz	DXYNFKWJZGQOBM-CQSZACIVSA-N	1	1	356.405	2.346	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064634299	541213818	/nfs/dbraw/zinc/21/38/18/541213818.db2.gz	DKZSHCXQEBHPLY-KRWDZBQOSA-N	1	1	363.465	2.170	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064634299	541213819	/nfs/dbraw/zinc/21/38/19/541213819.db2.gz	DKZSHCXQEBHPLY-KRWDZBQOSA-N	1	1	363.465	2.170	20	30		FEEDMO
CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000065441219	541238656	/nfs/dbraw/zinc/23/86/56/541238656.db2.gz	ARJTTZBBZYVWPD-HXUWFJFHSA-N	1	1	369.513	2.116	20	30		FEEDMO
CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1	ZINC000067682939	541498322	/nfs/dbraw/zinc/49/83/22/541498322.db2.gz	DUIUYCSABBOGST-MRXNPFEDSA-N	1	1	373.476	2.259	20	30		FEEDMO
C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000543001980	541517195	/nfs/dbraw/zinc/51/71/95/541517195.db2.gz	XPGCPGBIRAFWOW-CYBMUJFWSA-N	1	1	373.844	2.304	20	30		FEEDMO
CCN(CC)C(=O)C1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000069682272	541703742	/nfs/dbraw/zinc/70/37/42/541703742.db2.gz	XCFKTUBMXKDARI-BEFAXECRSA-N	1	1	350.507	2.010	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@]3(CNC(=O)C3)C1)CCC2	ZINC000072831276	541875573	/nfs/dbraw/zinc/87/55/73/541875573.db2.gz	HUSYIFXENODGEK-IBGZPJMESA-N	1	1	372.494	2.039	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000072971437	541900074	/nfs/dbraw/zinc/90/00/74/541900074.db2.gz	FDPFDFWORCWFHR-UYAOXDASSA-N	1	1	370.497	2.118	20	30		FEEDMO
C[NH+](C)CC(=O)Nc1ccc(NC(=O)Cc2ccc(OCC#N)cc2)cc1	ZINC000073305615	541941952	/nfs/dbraw/zinc/94/19/52/541941952.db2.gz	BYKYYHPNBIJBSM-UHFFFAOYSA-N	1	1	366.421	2.270	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c1	ZINC000076337024	542263806	/nfs/dbraw/zinc/26/38/06/542263806.db2.gz	PAZNUKLVVKBEKK-UHFFFAOYSA-N	1	1	362.433	2.095	20	30		FEEDMO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1	ZINC000076981834	542338187	/nfs/dbraw/zinc/33/81/87/542338187.db2.gz	UYJMHZPOAGXRFU-INIZCTEOSA-N	1	1	371.460	2.013	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+]1CCCN(C(=O)c2ccc[nH]2)CC1	ZINC000077276917	542360350	/nfs/dbraw/zinc/36/03/50/542360350.db2.gz	MQNNKLFFOKYSBW-UHFFFAOYSA-N	1	1	368.437	2.122	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1	ZINC000077276917	542360352	/nfs/dbraw/zinc/36/03/52/542360352.db2.gz	MQNNKLFFOKYSBW-UHFFFAOYSA-N	1	1	368.437	2.122	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC000077466342	542385141	/nfs/dbraw/zinc/38/51/41/542385141.db2.gz	HIRFMYXFJALHGT-GJZGRUSLSA-N	1	1	361.515	2.306	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1	ZINC000078451668	542462181	/nfs/dbraw/zinc/46/21/81/542462181.db2.gz	WIIIVDCEZCLQRL-UXHICEINSA-N	1	1	354.498	2.343	20	30		FEEDMO
C=CCc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc(OC)c1OC	ZINC000090460549	542785646	/nfs/dbraw/zinc/78/56/46/542785646.db2.gz	ZGYPEGRXLLEECR-QZTJIDSGSA-N	1	1	374.481	2.415	20	30		FEEDMO
C=CCc1cc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cc(OC)c1OC	ZINC000090460549	542785649	/nfs/dbraw/zinc/78/56/49/542785649.db2.gz	ZGYPEGRXLLEECR-QZTJIDSGSA-N	1	1	374.481	2.415	20	30		FEEDMO
CC[N@@H+](CCc1ccccc1)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000091539861	542811448	/nfs/dbraw/zinc/81/14/48/542811448.db2.gz	ZAIYYWDGSLTPLU-HXUWFJFHSA-N	1	1	356.514	2.243	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)CC1	ZINC000092618201	542875811	/nfs/dbraw/zinc/87/58/11/542875811.db2.gz	MWUQDBPQAXSSFI-PMACEKPBSA-N	1	1	354.498	2.168	20	30		FEEDMO
CCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)N(C)C	ZINC000103469452	543109059	/nfs/dbraw/zinc/10/90/59/543109059.db2.gz	YHHSGWNJANSWTR-UHFFFAOYSA-N	1	1	350.850	2.340	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(N2CCCC2=O)CC1	ZINC000104727736	543139030	/nfs/dbraw/zinc/13/90/30/543139030.db2.gz	WZAKHGBHJXAUIP-BQIYRTECSA-N	1	1	374.529	2.393	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(C#N)cn2)CC1	ZINC000107449855	543270877	/nfs/dbraw/zinc/27/08/77/543270877.db2.gz	VGMVBTPBYGGOSA-UHFFFAOYSA-N	1	1	363.465	2.021	20	30		FEEDMO
C#CCOc1cccc(NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1	ZINC000108520012	543292544	/nfs/dbraw/zinc/29/25/44/543292544.db2.gz	AOYZFTYERDKSGF-IBGZPJMESA-N	1	1	358.486	2.092	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(CCCOc2ccc(C#N)cc2)CC1	ZINC000109756001	543337947	/nfs/dbraw/zinc/33/79/47/543337947.db2.gz	YXEHQOVWUNBNEI-FQEVSTJZSA-N	1	1	356.514	2.429	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1	ZINC000111263361	543390088	/nfs/dbraw/zinc/39/00/88/543390088.db2.gz	LODYOVFFAQWAGS-OAHLLOKOSA-N	1	1	352.438	2.196	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1	ZINC000111263361	543390089	/nfs/dbraw/zinc/39/00/89/543390089.db2.gz	LODYOVFFAQWAGS-OAHLLOKOSA-N	1	1	352.438	2.196	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000111265168	543390224	/nfs/dbraw/zinc/39/02/24/543390224.db2.gz	OFPYSFZMIWSOCN-ROUUACIJSA-N	1	1	370.497	2.397	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	ZINC000111269362	543390600	/nfs/dbraw/zinc/39/06/00/543390600.db2.gz	LTKRENDYXJKDKZ-GJZGRUSLSA-N	1	1	374.510	2.477	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	ZINC000111269362	543390602	/nfs/dbraw/zinc/39/06/02/543390602.db2.gz	LTKRENDYXJKDKZ-GJZGRUSLSA-N	1	1	374.510	2.477	20	30		FEEDMO
C[C@H](O)C1CC[NH+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000111286338	543392651	/nfs/dbraw/zinc/39/26/51/543392651.db2.gz	ALPRUIYCIQWITE-AWEZNQCLSA-N	1	1	368.399	2.266	20	30		FEEDMO
COCC[NH+]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000111770059	543415041	/nfs/dbraw/zinc/41/50/41/543415041.db2.gz	KRNTXRNDQORHJQ-UHFFFAOYSA-N	1	1	364.449	2.277	20	30		FEEDMO
C#CCOc1ccc(C[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)cc1	ZINC000113322917	543484092	/nfs/dbraw/zinc/48/40/92/543484092.db2.gz	CKNTXIPNBCQNFA-UHFFFAOYSA-N	1	1	350.466	2.135	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000113945182	543499858	/nfs/dbraw/zinc/49/98/58/543499858.db2.gz	JSUIYQZVRPECIZ-HOTGVXAUSA-N	1	1	362.499	2.228	20	30		FEEDMO
C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000114558161	543523986	/nfs/dbraw/zinc/52/39/86/543523986.db2.gz	KGLXURQAETYACP-HLNWXESRSA-N	1	1	354.498	2.484	20	30		FEEDMO
CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1	ZINC000115596124	543576880	/nfs/dbraw/zinc/57/68/80/543576880.db2.gz	KUGMRCPNQQLWJC-SFHVURJKSA-N	1	1	350.422	2.469	20	30		FEEDMO
C=CCC[C@@H](O)C[N@@H+](CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1	ZINC000121043522	543688014	/nfs/dbraw/zinc/68/80/14/543688014.db2.gz	XAZHPLPGSSDXFQ-CYBMUJFWSA-N	1	1	361.442	2.089	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+](CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1	ZINC000121043522	543688018	/nfs/dbraw/zinc/68/80/18/543688018.db2.gz	XAZHPLPGSSDXFQ-CYBMUJFWSA-N	1	1	361.442	2.089	20	30		FEEDMO
C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000119289413	543665642	/nfs/dbraw/zinc/66/56/42/543665642.db2.gz	UXAMDFZNEGMZDQ-YOEHRIQHSA-N	1	1	356.470	2.225	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)cc2C1=O	ZINC000119742570	543671364	/nfs/dbraw/zinc/67/13/64/543671364.db2.gz	QQWGAXNITUWDND-OAHLLOKOSA-N	1	1	369.465	2.176	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(N2CCCCC2=O)CC1)C1(C#N)CCCCC1	ZINC000120353887	543678845	/nfs/dbraw/zinc/67/88/45/543678845.db2.gz	VHIACKQTFLGMEB-UHFFFAOYSA-N	1	1	360.502	2.148	20	30		FEEDMO
N#Cc1cccnc1N1CC[NH+](Cc2ccccc2N2CCOCC2)CC1	ZINC000122957353	543733363	/nfs/dbraw/zinc/73/33/63/543733363.db2.gz	RCWWVUXKOIAOAW-UHFFFAOYSA-N	1	1	363.465	2.112	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc(OC)c1O	ZINC000124450760	543822627	/nfs/dbraw/zinc/82/26/27/543822627.db2.gz	MRIHDEWGIFDDFP-SFHVURJKSA-N	1	1	374.481	2.200	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[N@@H+]1C1CC1	ZINC000124010634	543796166	/nfs/dbraw/zinc/79/61/66/543796166.db2.gz	GCABBARAYGEKBL-JQWIXIFHSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[N@H+]1C1CC1	ZINC000124010634	543796168	/nfs/dbraw/zinc/79/61/68/543796168.db2.gz	GCABBARAYGEKBL-JQWIXIFHSA-N	1	1	373.400	2.481	20	30		FEEDMO
C=CCCOCCNC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1	ZINC000124130277	543802851	/nfs/dbraw/zinc/80/28/51/543802851.db2.gz	PBCSAROBVYRTKD-UHFFFAOYSA-N	1	1	364.490	2.395	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)NCCC[NH+]1CCN(CC)CC1	ZINC000125053451	543858045	/nfs/dbraw/zinc/85/80/45/543858045.db2.gz	ZSPNXRKTKQZLTK-UHFFFAOYSA-N	1	1	361.486	2.017	20	30		FEEDMO
CCc1cccc(C)c1NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125478616	543883691	/nfs/dbraw/zinc/88/36/91/543883691.db2.gz	IESLXRLCINJOEI-UHFFFAOYSA-N	1	1	354.458	2.238	20	30		FEEDMO
C=C[C@H](CC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1	ZINC000125913586	543908387	/nfs/dbraw/zinc/90/83/87/543908387.db2.gz	SRKZHUSGPNOIST-VQIMIIECSA-N	1	1	355.482	2.287	20	30		FEEDMO
Cc1c(CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1C	ZINC000126633895	543948203	/nfs/dbraw/zinc/94/82/03/543948203.db2.gz	OATNYGAUDHCVMZ-UHFFFAOYSA-N	1	1	365.481	2.267	20	30		FEEDMO
COC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000126675653	543950172	/nfs/dbraw/zinc/95/01/72/543950172.db2.gz	BLPZSRYIQXGQDG-IBGZPJMESA-N	1	1	356.470	2.201	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1	ZINC000127295081	543983632	/nfs/dbraw/zinc/98/36/32/543983632.db2.gz	OQBDIFJJRLVOGR-CQSZACIVSA-N	1	1	364.287	2.417	20	30		FEEDMO
C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2ccccc2C#N)CC1	ZINC000129454413	544113172	/nfs/dbraw/zinc/11/31/72/544113172.db2.gz	MPHYFALIFYIYCQ-OAHLLOKOSA-N	1	1	370.478	2.457	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+](CC(N)=O)C[C@H](O)COc1ccc(CC#N)cc1	ZINC000130938240	544171157	/nfs/dbraw/zinc/17/11/57/544171157.db2.gz	AREHVWWJJYYRLE-APWZRJJASA-N	1	1	367.449	2.041	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+](CC(N)=O)C[C@H](O)COc1ccc(CC#N)cc1	ZINC000130938240	544171159	/nfs/dbraw/zinc/17/11/59/544171159.db2.gz	AREHVWWJJYYRLE-APWZRJJASA-N	1	1	367.449	2.041	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(OC[C@H]2CCOC2)CC1	ZINC000131907132	544211489	/nfs/dbraw/zinc/21/14/89/544211489.db2.gz	XVIBZNUYRYOQIJ-WBVHZDCISA-N	1	1	357.454	2.403	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(OC[C@@H]2CCOC2)CC1)C1(C#N)CCCCC1	ZINC000132074215	544217885	/nfs/dbraw/zinc/21/78/85/544217885.db2.gz	XDYWZUUOJNYPBU-QGZVFWFLSA-N	1	1	363.502	2.189	20	30		FEEDMO
C=CCOc1ccccc1C[NH+]1CCN(c2cc(C)nc3ncnn32)CC1	ZINC000133922913	544287697	/nfs/dbraw/zinc/28/76/97/544287697.db2.gz	VASMZFCUNIZRLN-UHFFFAOYSA-N	1	1	364.453	2.320	20	30		FEEDMO
COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C#N	ZINC000134970338	544329720	/nfs/dbraw/zinc/32/97/20/544329720.db2.gz	OCSZALNMBRLPNM-CYBMUJFWSA-N	1	1	359.451	2.407	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)s1	ZINC000136218596	544369451	/nfs/dbraw/zinc/36/94/51/544369451.db2.gz	HKPNMDWRQKIPOI-ZDUSSCGKSA-N	1	1	350.488	2.066	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1	ZINC000139914560	544405806	/nfs/dbraw/zinc/40/58/06/544405806.db2.gz	GDQONEHQXMLSNV-KRWDZBQOSA-N	1	1	359.539	2.422	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](O)C2)c1C#N	ZINC000152671196	544681243	/nfs/dbraw/zinc/68/12/43/544681243.db2.gz	GGOCFFARWXUFMJ-HNNXBMFYSA-N	1	1	356.426	2.013	20	30		FEEDMO
C=C[C@@H](CC(=O)NC1CC[NH+](CC(=O)NCCC)CC1)c1ccccc1	ZINC000152968620	544717799	/nfs/dbraw/zinc/71/77/99/544717799.db2.gz	YSCNNZUJRWAJDG-KRWDZBQOSA-N	1	1	357.498	2.453	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1C1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000153224238	544748877	/nfs/dbraw/zinc/74/88/77/544748877.db2.gz	YURDFHRKSYUNIS-MRXNPFEDSA-N	1	1	361.511	2.281	20	30		FEEDMO
C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153320042	544760477	/nfs/dbraw/zinc/76/04/77/544760477.db2.gz	SAUWTGWQDNDROA-GFCCVEGCSA-N	1	1	374.876	2.086	20	30		FEEDMO
C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1	ZINC000185472834	327918292	/nfs/dbraw/zinc/91/82/92/327918292.db2.gz	DVBSRQLDKMMMGQ-QAPCUYQASA-N	1	1	363.421	2.229	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COc2ccc(C#N)c(Cl)c2)C1	ZINC000190249309	328196510	/nfs/dbraw/zinc/19/65/10/328196510.db2.gz	HPSZARWPTLLSNT-INIZCTEOSA-N	1	1	365.861	2.063	20	30		FEEDMO
C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1	ZINC000191136878	328251494	/nfs/dbraw/zinc/25/14/94/328251494.db2.gz	YYRQOYRNXDBUSH-UHFFFAOYSA-N	1	1	352.394	2.406	20	30		FEEDMO
C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC000191911822	328288474	/nfs/dbraw/zinc/28/84/74/328288474.db2.gz	ACEGPJMTLRJLKR-UHFFFAOYSA-N	1	1	357.454	2.436	20	30		FEEDMO
C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1	ZINC000191911822	328288475	/nfs/dbraw/zinc/28/84/75/328288475.db2.gz	ACEGPJMTLRJLKR-UHFFFAOYSA-N	1	1	357.454	2.436	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1	ZINC000048731109	324672000	/nfs/dbraw/zinc/67/20/00/324672000.db2.gz	IQDCMZXACKZVHB-KRWDZBQOSA-N	1	1	366.421	2.433	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000060090014	324847340	/nfs/dbraw/zinc/84/73/40/324847340.db2.gz	PRXWTILQCBONHJ-UHFFFAOYSA-N	1	1	358.442	2.440	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cc(C#N)cs3)cc2)CC1	ZINC000084085966	325227730	/nfs/dbraw/zinc/22/77/30/325227730.db2.gz	BNEYLOUVUHPMLS-UHFFFAOYSA-N	1	1	354.435	2.260	20	30		FEEDMO
Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089943025	325343770	/nfs/dbraw/zinc/34/37/70/325343770.db2.gz	LJEBJCWFQLDCJN-CQSZACIVSA-N	1	1	354.458	2.372	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1	ZINC000118132258	326084815	/nfs/dbraw/zinc/08/48/15/326084815.db2.gz	APGNTRIMSKYRJF-UHFFFAOYSA-N	1	1	372.469	2.275	20	30		FEEDMO
CC(C)n1cnnc1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000118861062	326109126	/nfs/dbraw/zinc/10/91/26/326109126.db2.gz	LXSGVRCYYFXZCG-ROUUACIJSA-N	1	1	369.469	2.350	20	30		FEEDMO
COc1cccc([C@H](CNS(=O)(=O)c2ccccc2C#N)[NH+](C)C)c1	ZINC000119375905	326155251	/nfs/dbraw/zinc/15/52/51/326155251.db2.gz	FEOVUQHZJSFRLD-KRWDZBQOSA-N	1	1	359.451	2.148	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)c1	ZINC000120655325	326276195	/nfs/dbraw/zinc/27/61/95/326276195.db2.gz	LGBZLYMYSRRHKN-UHFFFAOYSA-N	1	1	373.453	2.175	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)c1	ZINC000120655325	326276196	/nfs/dbraw/zinc/27/61/96/326276196.db2.gz	LGBZLYMYSRRHKN-UHFFFAOYSA-N	1	1	373.453	2.175	20	30		FEEDMO
CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000120893610	326296999	/nfs/dbraw/zinc/29/69/99/326296999.db2.gz	OZGBTHPUPOZPDW-SJLPKXTDSA-N	1	1	373.501	2.404	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CCN2CC[NH+](C3CCCCC3)CC2)c1	ZINC000128701065	326528338	/nfs/dbraw/zinc/52/83/38/326528338.db2.gz	ULUAIIPKUFNUJZ-UHFFFAOYSA-N	1	1	361.511	2.282	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CSc1ccc(C#N)cc1	ZINC000160148373	326954895	/nfs/dbraw/zinc/95/48/95/326954895.db2.gz	MGKRYHYAKRZGKH-UHFFFAOYSA-N	1	1	361.511	2.467	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000162964514	327038992	/nfs/dbraw/zinc/03/89/92/327038992.db2.gz	CYUHXLORCFLQCH-VQIMIIECSA-N	1	1	366.465	2.362	20	30		FEEDMO
CC[N@@H+](CCNC(=O)N1CCCN(c2ccccc2C#N)CC1)C1CC1	ZINC000171251119	327127580	/nfs/dbraw/zinc/12/75/80/327127580.db2.gz	MBTAOBHEFYRHFO-UHFFFAOYSA-N	1	1	355.486	2.264	20	30		FEEDMO
N#Cc1cccc(C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)c1	ZINC000172524412	327205913	/nfs/dbraw/zinc/20/59/13/327205913.db2.gz	XVQBPELRSDVTRX-UHFFFAOYSA-N	1	1	359.433	2.113	20	30		FEEDMO
C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264141115	328994678	/nfs/dbraw/zinc/99/46/78/328994678.db2.gz	ODNVYDIMNWUMEI-DNVCBOLYSA-N	1	1	357.454	2.085	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000276176174	330126420	/nfs/dbraw/zinc/12/64/20/330126420.db2.gz	LOYFBUNPEURHOX-KBPBESRZSA-N	1	1	360.845	2.235	20	30		FEEDMO
C[C@H](CO)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCC1	ZINC000276260452	330134387	/nfs/dbraw/zinc/13/43/87/330134387.db2.gz	AZBMDZMGADHFCU-OAHLLOKOSA-N	1	1	367.453	2.308	20	30		FEEDMO
C[C@@H](CO)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCCC1	ZINC000276260448	330134456	/nfs/dbraw/zinc/13/44/56/330134456.db2.gz	AZBMDZMGADHFCU-HNNXBMFYSA-N	1	1	367.453	2.308	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000377929929	330252414	/nfs/dbraw/zinc/25/24/14/330252414.db2.gz	AZNBBFNGENLDPY-SFHVURJKSA-N	1	1	357.502	2.326	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H]2CCO)c1C#N	ZINC000426250111	330272275	/nfs/dbraw/zinc/27/22/75/330272275.db2.gz	SCESQGNYRRFINI-MRXNPFEDSA-N	1	1	370.453	2.403	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H]2CCO)c1C#N	ZINC000426250111	330272277	/nfs/dbraw/zinc/27/22/77/330272277.db2.gz	SCESQGNYRRFINI-MRXNPFEDSA-N	1	1	370.453	2.403	20	30		FEEDMO
C[C@@]1(CNS(=O)(=O)c2ccc(C#N)o2)CC[N@@H+](Cc2ccccc2)C1	ZINC000805086610	674318096	/nfs/dbraw/zinc/31/80/96/674318096.db2.gz	DGDULCIDABTVJC-SFHVURJKSA-N	1	1	359.451	2.342	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1	ZINC000155595603	545546503	/nfs/dbraw/zinc/54/65/03/545546503.db2.gz	IUAUOPVILSWOCK-AWEZNQCLSA-N	1	1	362.861	2.387	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(=O)Nc1ccc(F)cc1	ZINC000155683397	545557838	/nfs/dbraw/zinc/55/78/38/545557838.db2.gz	NZQUTJXKCHLHJX-CQSZACIVSA-N	1	1	368.416	2.027	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)Nc1ccc(F)cc1	ZINC000155683397	545557842	/nfs/dbraw/zinc/55/78/42/545557842.db2.gz	NZQUTJXKCHLHJX-CQSZACIVSA-N	1	1	368.416	2.027	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	ZINC000504231992	538837202	/nfs/dbraw/zinc/83/72/02/538837202.db2.gz	BIBHXOKAXJTVRW-OAHLLOKOSA-N	1	1	359.817	2.057	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	ZINC000504231992	538837207	/nfs/dbraw/zinc/83/72/07/538837207.db2.gz	BIBHXOKAXJTVRW-OAHLLOKOSA-N	1	1	359.817	2.057	20	30		FEEDMO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@@H](C)O)c1C#N	ZINC000156316873	545617242	/nfs/dbraw/zinc/61/72/42/545617242.db2.gz	KHLYCZXCWDOXRS-CYBMUJFWSA-N	1	1	372.444	2.415	20	30		FEEDMO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@@H](C)O)c1C#N	ZINC000156316873	545617244	/nfs/dbraw/zinc/61/72/44/545617244.db2.gz	KHLYCZXCWDOXRS-CYBMUJFWSA-N	1	1	372.444	2.415	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000156499169	545632061	/nfs/dbraw/zinc/63/20/61/545632061.db2.gz	WQDKSDCTDOGWJK-AWEZNQCLSA-N	1	1	374.510	2.237	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1	ZINC000478149110	561160995	/nfs/dbraw/zinc/16/09/95/561160995.db2.gz	ROKCGHKNMACDMX-HOTGVXAUSA-N	1	1	359.470	2.269	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](CCC(N)=O)C1	ZINC000170734079	546174389	/nfs/dbraw/zinc/17/43/89/546174389.db2.gz	BZNXJDODICWLQZ-QWHCGFSZSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](CCC(N)=O)C1	ZINC000170734079	546174390	/nfs/dbraw/zinc/17/43/90/546174390.db2.gz	BZNXJDODICWLQZ-QWHCGFSZSA-N	1	1	374.510	2.413	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)C1(C#N)CCCCC1	ZINC000171623211	546216526	/nfs/dbraw/zinc/21/65/26/546216526.db2.gz	IMRXOMRYPRAQBG-INIZCTEOSA-N	1	1	370.501	2.089	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1)C1(C#N)CCCCC1	ZINC000171623211	546216530	/nfs/dbraw/zinc/21/65/30/546216530.db2.gz	IMRXOMRYPRAQBG-INIZCTEOSA-N	1	1	370.501	2.089	20	30		FEEDMO
COc1cccc([C@H](C)[NH+]2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1	ZINC000171706506	546219696	/nfs/dbraw/zinc/21/96/96/546219696.db2.gz	LAVMTJXTDKMUSU-HRAATJIYSA-N	1	1	370.497	2.182	20	30		FEEDMO
CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000173554494	546282678	/nfs/dbraw/zinc/28/26/78/546282678.db2.gz	RTGDTPKRBXTEDM-MRXNPFEDSA-N	1	1	357.454	2.295	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)cc1C	ZINC000175205361	546306876	/nfs/dbraw/zinc/30/68/76/546306876.db2.gz	JPLKSLIOHICQMF-QGZVFWFLSA-N	1	1	356.470	2.138	20	30		FEEDMO
N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)c2ccccc21	ZINC000175272261	546308037	/nfs/dbraw/zinc/30/80/37/546308037.db2.gz	LJTHQKBTUHEHDB-HNNXBMFYSA-N	1	1	352.438	2.325	20	30		FEEDMO
N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c2ccccc21	ZINC000175272261	546308039	/nfs/dbraw/zinc/30/80/39/546308039.db2.gz	LJTHQKBTUHEHDB-HNNXBMFYSA-N	1	1	352.438	2.325	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)NCC(C)(C)C#N)[C@@H](c2ccccc2)C1	ZINC000479820268	561197563	/nfs/dbraw/zinc/19/75/63/561197563.db2.gz	XIIVBKCWSXWQEO-GOSISDBHSA-N	1	1	357.502	2.214	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)NCC(C)(C)C#N)[C@@H](c2ccccc2)C1	ZINC000479820268	561197564	/nfs/dbraw/zinc/19/75/64/561197564.db2.gz	XIIVBKCWSXWQEO-GOSISDBHSA-N	1	1	357.502	2.214	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)NCC(C)(C)C#N)[C@@H](c2ccccc2)C1	ZINC000479820268	561197565	/nfs/dbraw/zinc/19/75/65/561197565.db2.gz	XIIVBKCWSXWQEO-GOSISDBHSA-N	1	1	357.502	2.214	20	30		FEEDMO
C=CCCCC(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CC[NH+](C)CC1	ZINC000175651683	546328343	/nfs/dbraw/zinc/32/83/43/546328343.db2.gz	FUHKOZYLZLNDHJ-LJQANCHMSA-N	1	1	355.482	2.465	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000176219469	546420882	/nfs/dbraw/zinc/42/08/82/546420882.db2.gz	XXHJOQFVYDJXGZ-UHFFFAOYSA-N	1	1	362.499	2.479	20	30		FEEDMO
CC(C)(C)NC(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000481145597	561226343	/nfs/dbraw/zinc/22/63/43/561226343.db2.gz	VWQWYNOUPIXRME-UHFFFAOYSA-N	1	1	357.458	2.013	20	30		FEEDMO
CC(=O)N[C@H](C)C1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000481606313	561237143	/nfs/dbraw/zinc/23/71/43/561237143.db2.gz	QPVNGRYUNCTIDN-GFCCVEGCSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000178832949	546857997	/nfs/dbraw/zinc/85/79/97/546857997.db2.gz	CZQKIVDXVNDWJF-DOTOQJQBSA-N	1	1	355.438	2.327	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000178832949	546858002	/nfs/dbraw/zinc/85/80/02/546858002.db2.gz	CZQKIVDXVNDWJF-DOTOQJQBSA-N	1	1	355.438	2.327	20	30		FEEDMO
COc1cccc([C@@H]2[C@H](NS(=O)(=O)CCCC#N)CC[N@@H+]2C2CC2)c1	ZINC000179901299	547026882	/nfs/dbraw/zinc/02/68/82/547026882.db2.gz	CDIUPBQNFLPHLA-QZTJIDSGSA-N	1	1	363.483	2.196	20	30		FEEDMO
COc1cccc([C@@H]2[C@H](NS(=O)(=O)CCCC#N)CC[N@H+]2C2CC2)c1	ZINC000179901299	547026888	/nfs/dbraw/zinc/02/68/88/547026888.db2.gz	CDIUPBQNFLPHLA-QZTJIDSGSA-N	1	1	363.483	2.196	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000180413672	547104020	/nfs/dbraw/zinc/10/40/20/547104020.db2.gz	ZZWVIJNWKLOPJQ-GOEBONIOSA-N	1	1	354.454	2.266	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@](C)(C(N)=O)C1	ZINC000483280073	561272651	/nfs/dbraw/zinc/27/26/51/561272651.db2.gz	SNRGEFUPWBEDLO-UGSOOPFHSA-N	1	1	360.483	2.074	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@](C)(C(N)=O)C1	ZINC000483280073	561272652	/nfs/dbraw/zinc/27/26/52/561272652.db2.gz	SNRGEFUPWBEDLO-UGSOOPFHSA-N	1	1	360.483	2.074	20	30		FEEDMO
C[C@@H]1CCC[C@H](CO)[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000181394789	547306647	/nfs/dbraw/zinc/30/66/47/547306647.db2.gz	NOOCOYZMJWGKGU-RHSMWYFYSA-N	1	1	368.399	2.408	20	30		FEEDMO
CNC(=O)C[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1	ZINC000483423420	561276897	/nfs/dbraw/zinc/27/68/97/561276897.db2.gz	AKDLIBBJULSXSB-MRXNPFEDSA-N	1	1	354.410	2.174	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCCC(=O)OC(C)(C)C	ZINC000181995758	547419784	/nfs/dbraw/zinc/41/97/84/547419784.db2.gz	OIIHCNGGLNWLIT-OAHLLOKOSA-N	1	1	359.474	2.371	20	30		FEEDMO
CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C3(C#N)CCCC3)cc2)CC1	ZINC000182552103	547511592	/nfs/dbraw/zinc/51/15/92/547511592.db2.gz	GBLJTEJCDUTXPS-UHFFFAOYSA-N	1	1	354.454	2.373	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCCN(c2ccccn2)CC1)C1(C#N)CCCCC1	ZINC000183838525	547727154	/nfs/dbraw/zinc/72/71/54/547727154.db2.gz	LHKRRRQCMGTGCB-UHFFFAOYSA-N	1	1	355.486	2.279	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCCN(c2ccccn2)CC1)C1(C#N)CCCCC1	ZINC000183838525	547727158	/nfs/dbraw/zinc/72/71/58/547727158.db2.gz	LHKRRRQCMGTGCB-UHFFFAOYSA-N	1	1	355.486	2.279	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000184220279	547789758	/nfs/dbraw/zinc/78/97/58/547789758.db2.gz	HAGKPDBIBWNVKZ-OAHLLOKOSA-N	1	1	359.474	2.104	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184602395	547852598	/nfs/dbraw/zinc/85/25/98/547852598.db2.gz	ATFZXXZBFSYSOJ-LSDHHAIUSA-N	1	1	367.457	2.381	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)NC(C)(C)CCN1CC[NH+](C)CC1	ZINC000185377650	547976164	/nfs/dbraw/zinc/97/61/64/547976164.db2.gz	JKSZTKWLKIONIX-UHFFFAOYSA-N	1	1	374.529	2.467	20	30		FEEDMO
N#CCCn1ccc(NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)n1	ZINC000186571998	548153739	/nfs/dbraw/zinc/15/37/39/548153739.db2.gz	LYBHFUIPJGZIGA-UHFFFAOYSA-N	1	1	368.441	2.315	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1	ZINC000186674093	548171873	/nfs/dbraw/zinc/17/18/73/548171873.db2.gz	YWVGKTLLRLKWAG-RXVVDRJESA-N	1	1	350.418	2.429	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1Cl	ZINC000486022363	561335584	/nfs/dbraw/zinc/33/55/84/561335584.db2.gz	CNGSOJWSAMVDGP-INIZCTEOSA-N	1	1	363.889	2.301	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1Cl	ZINC000486022363	561335585	/nfs/dbraw/zinc/33/55/85/561335585.db2.gz	CNGSOJWSAMVDGP-INIZCTEOSA-N	1	1	363.889	2.301	20	30		FEEDMO
C=C(C)[C@H]([NH2+]CC(=O)NC(=O)N[C@H](C)COC)c1ccc(F)c(F)c1	ZINC000187758541	548262661	/nfs/dbraw/zinc/26/26/61/548262661.db2.gz	YOMUGIQMWHNJGX-BZNIZROVSA-N	1	1	355.385	2.032	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO	ZINC000188761318	548287002	/nfs/dbraw/zinc/28/70/02/548287002.db2.gz	VLLCJDHLBZZNDL-CTNGQTDRSA-N	1	1	360.498	2.488	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000486355797	561345159	/nfs/dbraw/zinc/34/51/59/561345159.db2.gz	UNXKBUKCBCDWII-MISYRCLQSA-N	1	1	357.498	2.295	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(C#N)s3)cc2)CC1	ZINC000486674864	561353978	/nfs/dbraw/zinc/35/39/78/561353978.db2.gz	WGKBNRQLGPIVDN-UHFFFAOYSA-N	1	1	354.435	2.260	20	30		FEEDMO
C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	ZINC000487429327	561369692	/nfs/dbraw/zinc/36/96/92/561369692.db2.gz	JCOHAPDXMAOJCB-YOEHRIQHSA-N	1	1	354.454	2.406	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](Cn2ccnn2)C1	ZINC000246486122	549143784	/nfs/dbraw/zinc/14/37/84/549143784.db2.gz	AJNXPIYPTRJGPF-AGYKMIKPSA-N	1	1	372.517	2.309	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000246505670	549148713	/nfs/dbraw/zinc/14/87/13/549148713.db2.gz	OMSFWYWNMFZJLK-ZMZPIMSZSA-N	1	1	361.467	2.320	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000246505670	549148717	/nfs/dbraw/zinc/14/87/17/549148717.db2.gz	OMSFWYWNMFZJLK-ZMZPIMSZSA-N	1	1	361.467	2.320	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000246554383	549159510	/nfs/dbraw/zinc/15/95/10/549159510.db2.gz	UGYCCMUCAQFKNL-BBWFWOEESA-N	1	1	359.470	2.331	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(OCC#N)cc2)[C@@H](C)C1	ZINC000246718918	549195390	/nfs/dbraw/zinc/19/53/90/549195390.db2.gz	GKCQRBNOWHIEPL-FXAWDEMLSA-N	1	1	373.497	2.385	20	30		FEEDMO
C=CCn1cccc1C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1	ZINC000489078510	561402863	/nfs/dbraw/zinc/40/28/63/561402863.db2.gz	OVLUVYIRZWWSQL-UHFFFAOYSA-N	1	1	366.465	2.243	20	30		FEEDMO
CC(C)c1nnc2c(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)nccn21	ZINC000489080643	561402984	/nfs/dbraw/zinc/40/29/84/561402984.db2.gz	XVZZSKPTRIUVEO-UHFFFAOYSA-N	1	1	361.453	2.442	20	30		FEEDMO
C=CCn1cccc1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000489083559	561403019	/nfs/dbraw/zinc/40/30/19/561403019.db2.gz	WCQYHSNVMDRICR-QGZVFWFLSA-N	1	1	352.438	2.376	20	30		FEEDMO
C=CCn1cccc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000489083559	561403020	/nfs/dbraw/zinc/40/30/20/561403020.db2.gz	WCQYHSNVMDRICR-QGZVFWFLSA-N	1	1	352.438	2.376	20	30		FEEDMO
C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000489394514	561409863	/nfs/dbraw/zinc/40/98/63/561409863.db2.gz	CAXGNMRPGOYZJY-VQIMIIECSA-N	1	1	369.465	2.409	20	30		FEEDMO
C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000489394514	561409864	/nfs/dbraw/zinc/40/98/64/561409864.db2.gz	CAXGNMRPGOYZJY-VQIMIIECSA-N	1	1	369.465	2.409	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCS[C@@H]4COCC[C@@H]43)C2=O)cc1	ZINC000248732426	549492948	/nfs/dbraw/zinc/49/29/48/549492948.db2.gz	JUOLYFLFSUAARE-OKZBNKHCSA-N	1	1	357.479	2.260	20	30		FEEDMO
C=C(C)CS(=O)(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000248831923	549509683	/nfs/dbraw/zinc/50/96/83/549509683.db2.gz	INVTYIOQXABVLT-ROUUACIJSA-N	1	1	350.484	2.469	20	30		FEEDMO
C=C(C)CS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000248831923	549509688	/nfs/dbraw/zinc/50/96/88/549509688.db2.gz	INVTYIOQXABVLT-ROUUACIJSA-N	1	1	350.484	2.469	20	30		FEEDMO
CCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000248872468	549519307	/nfs/dbraw/zinc/51/93/07/549519307.db2.gz	KTTXIBYVBHUOFX-PZJWPPBQSA-N	1	1	354.498	2.391	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C(N)=O)C1	ZINC000249560163	549605674	/nfs/dbraw/zinc/60/56/74/549605674.db2.gz	LJIMTMYPTHHUJP-IUODEOHRSA-N	1	1	374.510	2.413	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1	ZINC000250671167	549643846	/nfs/dbraw/zinc/64/38/46/549643846.db2.gz	XHJAYNZGPCFRHK-HOTGVXAUSA-N	1	1	359.470	2.427	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)C1=O	ZINC000489932193	561422640	/nfs/dbraw/zinc/42/26/40/561422640.db2.gz	IRBYAMDUUVVBGV-OLZOCXBDSA-N	1	1	356.392	2.405	20	30		FEEDMO
C=CC[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1	ZINC000253232696	549680358	/nfs/dbraw/zinc/68/03/58/549680358.db2.gz	GCDFETAMMBYGRK-RTBURBONSA-N	1	1	355.482	2.111	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000263712143	549923842	/nfs/dbraw/zinc/92/38/42/549923842.db2.gz	KKRBDTQLSWXEQU-JKSUJKDBSA-N	1	1	356.470	2.369	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000263712143	549923844	/nfs/dbraw/zinc/92/38/44/549923844.db2.gz	KKRBDTQLSWXEQU-JKSUJKDBSA-N	1	1	356.470	2.369	20	30		FEEDMO
C[C@H]1CN(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000264081267	549976683	/nfs/dbraw/zinc/97/66/83/549976683.db2.gz	DLHLCKJECPQKDO-HOTGVXAUSA-N	1	1	357.454	2.037	20	30		FEEDMO
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1noc(C2CC2)n1	ZINC000264954847	550004270	/nfs/dbraw/zinc/00/42/70/550004270.db2.gz	WDCUFEXQBIKBJX-JTQLQIEISA-N	1	1	353.423	2.239	20	30		FEEDMO
C=CCC[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccccc1	ZINC000269335445	550182534	/nfs/dbraw/zinc/18/25/34/550182534.db2.gz	DJKAHVBLFWTHHU-ZWKOTPCHSA-N	1	1	358.486	2.333	20	30		FEEDMO
CC(C)[NH+]1CCN(C2CCN(c3c(C#N)nnc4ccccc43)CC2)CC1	ZINC000270435273	550272127	/nfs/dbraw/zinc/27/21/27/550272127.db2.gz	CVMDMTRLZOCRIJ-UHFFFAOYSA-N	1	1	364.497	2.496	20	30		FEEDMO
Cc1cc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)nn1CCC#N	ZINC000271118952	550342407	/nfs/dbraw/zinc/34/24/07/550342407.db2.gz	IVRCSBDBAKHBLE-IBGZPJMESA-N	1	1	366.469	2.032	20	30		FEEDMO
CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC(C)(C)CCCO)CC1=O	ZINC000271321575	550364517	/nfs/dbraw/zinc/36/45/17/550364517.db2.gz	OVMSAFWVKYDSIJ-UHFFFAOYSA-N	1	1	356.470	2.445	20	30		FEEDMO
C[C@@H]1C[C@H](CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1	ZINC000271347325	550367589	/nfs/dbraw/zinc/36/75/89/550367589.db2.gz	KMQVHVTUHBGSRW-ZIAGYGMSSA-N	1	1	354.454	2.461	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000272937473	550477338	/nfs/dbraw/zinc/47/73/38/550477338.db2.gz	NJYDDOZEVXERSL-UKRRQHHQSA-N	1	1	372.444	2.405	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1OCCCC#N	ZINC000273809614	550512207	/nfs/dbraw/zinc/51/22/07/550512207.db2.gz	YTURPWCWMZSLFY-QGZVFWFLSA-N	1	1	372.469	2.414	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1OCCCC#N	ZINC000273809614	550512208	/nfs/dbraw/zinc/51/22/08/550512208.db2.gz	YTURPWCWMZSLFY-QGZVFWFLSA-N	1	1	372.469	2.414	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)c(-c2ccccc2)n1	ZINC000274896365	550563211	/nfs/dbraw/zinc/56/32/11/550563211.db2.gz	FVDAYRVDNWCULN-UHFFFAOYSA-N	1	1	360.421	2.105	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)c(-c2ccccc2)n1	ZINC000274896365	550563212	/nfs/dbraw/zinc/56/32/12/550563212.db2.gz	FVDAYRVDNWCULN-UHFFFAOYSA-N	1	1	360.421	2.105	20	30		FEEDMO
CN(C)C1(C#N)CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1	ZINC000275009366	550569984	/nfs/dbraw/zinc/56/99/84/550569984.db2.gz	DWZXJZWESUEBGL-MSOLQXFVSA-N	1	1	355.486	2.061	20	30		FEEDMO
COCCC[N@H+](CCO)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000275424019	550572145	/nfs/dbraw/zinc/57/21/45/550572145.db2.gz	IAKWYFMKHHQPGM-HNNXBMFYSA-N	1	1	365.499	2.350	20	30		FEEDMO
COCCC[N@@H+](CCO)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000275424019	550572146	/nfs/dbraw/zinc/57/21/46/550572146.db2.gz	IAKWYFMKHHQPGM-HNNXBMFYSA-N	1	1	365.499	2.350	20	30		FEEDMO
N#Cc1cc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1F	ZINC000278703370	550812951	/nfs/dbraw/zinc/81/29/51/550812951.db2.gz	BJRDGDXLMDVOCS-UHFFFAOYSA-N	1	1	353.397	2.460	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1	ZINC000278876926	550831715	/nfs/dbraw/zinc/83/17/15/550831715.db2.gz	MQPUARQKIGHWEV-UTKZUKDTSA-N	1	1	368.481	2.151	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC000278901361	550833985	/nfs/dbraw/zinc/83/39/85/550833985.db2.gz	RRJDKRZDFWZPJT-MRXNPFEDSA-N	1	1	371.481	2.427	20	30		FEEDMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000278918092	550835680	/nfs/dbraw/zinc/83/56/80/550835680.db2.gz	UNZKSNJBJPLWRZ-HZPDHXFCSA-N	1	1	357.454	2.037	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccnn3CC(F)F)CC2)cc1	ZINC000279007693	550846157	/nfs/dbraw/zinc/84/61/57/550846157.db2.gz	SMHJKPDQVLRMNU-UHFFFAOYSA-N	1	1	373.407	2.368	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccnn3CC(F)F)CC2)cc1	ZINC000279007693	550846158	/nfs/dbraw/zinc/84/61/58/550846158.db2.gz	SMHJKPDQVLRMNU-UHFFFAOYSA-N	1	1	373.407	2.368	20	30		FEEDMO
C#CCCOc1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1	ZINC000279525608	550899953	/nfs/dbraw/zinc/89/99/53/550899953.db2.gz	YWIIGVVDAZXACL-SFHVURJKSA-N	1	1	362.495	2.089	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1	ZINC000279525608	550899954	/nfs/dbraw/zinc/89/99/54/550899954.db2.gz	YWIIGVVDAZXACL-SFHVURJKSA-N	1	1	362.495	2.089	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000281122905	551065989	/nfs/dbraw/zinc/06/59/89/551065989.db2.gz	BKVCOPAHMUZKNA-MOPGFXCFSA-N	1	1	355.482	2.144	20	30		FEEDMO
C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)ccc1Cl	ZINC000281354033	551087723	/nfs/dbraw/zinc/08/77/23/551087723.db2.gz	FCDSOBUGLVTTIW-UHFFFAOYSA-N	1	1	362.861	2.492	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)C1=O	ZINC000281500485	551105683	/nfs/dbraw/zinc/10/56/83/551105683.db2.gz	XZLFUFIJULRGQC-HOCLYGCPSA-N	1	1	372.387	2.164	20	30		FEEDMO
CC[N@H+](CCOCCO)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000281937517	551160024	/nfs/dbraw/zinc/16/00/24/551160024.db2.gz	DSOKPMOZJBJTHW-HNNXBMFYSA-N	1	1	365.499	2.350	20	30		FEEDMO
CC[N@@H+](CCOCCO)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000281937517	551160026	/nfs/dbraw/zinc/16/00/26/551160026.db2.gz	DSOKPMOZJBJTHW-HNNXBMFYSA-N	1	1	365.499	2.350	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC(C)(C)CCC#N	ZINC000497598070	561504433	/nfs/dbraw/zinc/50/44/33/561504433.db2.gz	JPHHSZCOXCKDPG-KRWDZBQOSA-N	1	1	372.517	2.221	20	30		FEEDMO
C[C@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1	ZINC000283531150	551382812	/nfs/dbraw/zinc/38/28/12/551382812.db2.gz	DDYDHGXIUCZUCP-BBWFWOEESA-N	1	1	370.497	2.220	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c(F)c1	ZINC000283575536	551390523	/nfs/dbraw/zinc/39/05/23/551390523.db2.gz	JTPUXEGTMFMQEH-AWEZNQCLSA-N	1	1	361.392	2.018	20	30		FEEDMO
CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000283929449	551451812	/nfs/dbraw/zinc/45/18/12/551451812.db2.gz	KJVGVUQTLLZAMN-UHFFFAOYSA-N	1	1	361.453	2.487	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)c1cccc(F)c1	ZINC000498871737	561536612	/nfs/dbraw/zinc/53/66/12/561536612.db2.gz	FBZWLOBMQHFWSK-INIZCTEOSA-N	1	1	353.463	2.432	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)c1cccc(F)c1	ZINC000498871738	561536619	/nfs/dbraw/zinc/53/66/19/561536619.db2.gz	FBZWLOBMQHFWSK-MRXNPFEDSA-N	1	1	353.463	2.432	20	30		FEEDMO
C=CCC[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1	ZINC000285332244	551739766	/nfs/dbraw/zinc/73/97/66/551739766.db2.gz	UJOBTSDOPLGXDD-QFBILLFUSA-N	1	1	355.482	2.411	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000285431037	551755367	/nfs/dbraw/zinc/75/53/67/551755367.db2.gz	KQTSRZDSZPWGSK-INIZCTEOSA-N	1	1	360.889	2.454	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)c1ccc(F)cc1	ZINC000498849357	561535713	/nfs/dbraw/zinc/53/57/13/561535713.db2.gz	IXRWLFQKQHKAMF-INIZCTEOSA-N	1	1	353.463	2.432	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1	ZINC000498941604	561538712	/nfs/dbraw/zinc/53/87/12/561538712.db2.gz	SUYZGUNJSGIQMM-UHFFFAOYSA-N	1	1	355.482	2.360	20	30		FEEDMO
C[N@H+](CCc1nc(-c2ccccc2)no1)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000285847649	551818596	/nfs/dbraw/zinc/81/85/96/551818596.db2.gz	HXWDYZOBEBKULZ-IBGZPJMESA-N	1	1	353.426	2.019	20	30		FEEDMO
C[N@@H+](CCc1nc(-c2ccccc2)no1)CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000285847649	551818598	/nfs/dbraw/zinc/81/85/98/551818598.db2.gz	HXWDYZOBEBKULZ-IBGZPJMESA-N	1	1	353.426	2.019	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@H]1C(N)=O	ZINC000286184645	551858624	/nfs/dbraw/zinc/85/86/24/551858624.db2.gz	NEZPJNFCEDEHLE-LALPHHSUSA-N	1	1	374.510	2.126	20	30		FEEDMO
CNC(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1	ZINC000286359886	551878544	/nfs/dbraw/zinc/87/85/44/551878544.db2.gz	HKTZSMZAKHTWCH-KRWDZBQOSA-N	1	1	356.470	2.314	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)o1	ZINC000286622257	551907393	/nfs/dbraw/zinc/90/73/93/551907393.db2.gz	MREJDYZZITZZJY-UHFFFAOYSA-N	1	1	371.462	2.363	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1	ZINC000286763693	551923655	/nfs/dbraw/zinc/92/36/55/551923655.db2.gz	ZLSMNACPJAEINK-UONOGXRCSA-N	1	1	358.360	2.438	20	30		FEEDMO
C[C@H](CC#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000286895411	551937570	/nfs/dbraw/zinc/93/75/70/551937570.db2.gz	YUHQNXVDBXMEML-LZQZEXGQSA-N	1	1	351.454	2.054	20	30		FEEDMO
N#Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc(N)c1[N+](=O)[O-]	ZINC000287185937	551974284	/nfs/dbraw/zinc/97/42/84/551974284.db2.gz	ZVDVSOMWNONVEU-QGZVFWFLSA-N	1	1	367.409	2.362	20	30		FEEDMO
N#Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(N)c1[N+](=O)[O-]	ZINC000287185937	551974287	/nfs/dbraw/zinc/97/42/87/551974287.db2.gz	ZVDVSOMWNONVEU-QGZVFWFLSA-N	1	1	367.409	2.362	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)Cc1cccc(Cl)c1	ZINC000287812634	552049827	/nfs/dbraw/zinc/04/98/27/552049827.db2.gz	PHFKCAIBBXRNAB-RHSMWYFYSA-N	1	1	371.872	2.116	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000288084026	552087924	/nfs/dbraw/zinc/08/79/24/552087924.db2.gz	LEJSFNBTLCXWLX-IHWFROFDSA-N	1	1	369.509	2.375	20	30		FEEDMO
C=CCN1CC[C@H]([NH2+][C@@H](CCO)c2ccccc2Br)C1=O	ZINC000499624232	561554842	/nfs/dbraw/zinc/55/48/42/561554842.db2.gz	ISODAPUSLAGZFN-GJZGRUSLSA-N	1	1	353.260	2.249	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1	ZINC000288322313	552133070	/nfs/dbraw/zinc/13/30/70/552133070.db2.gz	LEALLZJFDFNFRS-INIZCTEOSA-N	1	1	357.479	2.498	20	30		FEEDMO
C=CCCCCCCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1	ZINC000288377087	552143387	/nfs/dbraw/zinc/14/33/87/552143387.db2.gz	XMGPZAFRERBOBN-UHFFFAOYSA-N	1	1	374.485	2.378	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccccc1	ZINC000289044282	552257446	/nfs/dbraw/zinc/25/74/46/552257446.db2.gz	CYRBGRDEDRXXIN-RBUKOAKNSA-N	1	1	355.463	2.423	20	30		FEEDMO
C=CCCCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289244386	552288073	/nfs/dbraw/zinc/28/80/73/552288073.db2.gz	VCXSMLKVYRUXTF-PKOBYXMFSA-N	1	1	357.498	2.486	20	30		FEEDMO
Cc1cccnc1OC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000289307971	552299027	/nfs/dbraw/zinc/29/90/27/552299027.db2.gz	AYBBLTQNBAIFDD-UHFFFAOYSA-N	1	1	364.449	2.421	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000289875554	552392773	/nfs/dbraw/zinc/39/27/73/552392773.db2.gz	RCSYXUZROYTNPD-JKSUJKDBSA-N	1	1	362.499	2.228	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000290306948	552457543	/nfs/dbraw/zinc/45/75/43/552457543.db2.gz	JEPRTJPAPWKNCH-LLVKDONJSA-N	1	1	370.375	2.360	20	30		FEEDMO
CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000290652370	552513217	/nfs/dbraw/zinc/51/32/17/552513217.db2.gz	RBCGISZIYRBGEW-CQSZACIVSA-N	1	1	370.501	2.387	20	30		FEEDMO
C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@H+](CC)CC1	ZINC000290920038	552561551	/nfs/dbraw/zinc/56/15/51/552561551.db2.gz	FEZAFKLVQQWCMA-UHFFFAOYSA-N	1	1	357.506	2.248	20	30		FEEDMO
C=C[C@@H](CO)NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000291064821	552582683	/nfs/dbraw/zinc/58/26/83/552582683.db2.gz	RTGRAGFMJQFYAV-GJZGRUSLSA-N	1	1	357.376	2.126	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@](CO)(c2ccccc2)C1	ZINC000291758741	552658809	/nfs/dbraw/zinc/65/88/09/552658809.db2.gz	KZLPSEWWSPTPAI-XLIONFOSSA-N	1	1	355.482	2.354	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@](CO)(c2ccccc2)C1	ZINC000291758741	552658810	/nfs/dbraw/zinc/65/88/10/552658810.db2.gz	KZLPSEWWSPTPAI-XLIONFOSSA-N	1	1	355.482	2.354	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C2)C1	ZINC000292077563	552691449	/nfs/dbraw/zinc/69/14/49/552691449.db2.gz	QPKJMVZGIFQSGG-HNNXBMFYSA-N	1	1	373.400	2.293	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](C[C@@H](O)COCc3cccs3)C2)nc1	ZINC000292375436	552720700	/nfs/dbraw/zinc/72/07/00/552720700.db2.gz	YWBXTHOQEMDWLK-CVEARBPZSA-N	1	1	359.451	2.046	20	30		FEEDMO
N#Cc1ccccc1N1CCC[N@H+](C[C@H](O)COCC(F)(F)F)CC1	ZINC000292431937	552726294	/nfs/dbraw/zinc/72/62/94/552726294.db2.gz	LWACVBXUTXKNCA-HNNXBMFYSA-N	1	1	357.376	2.010	20	30		FEEDMO
C#CC[N@H+](C)CCCNc1c(Br)cccc1S(C)(=O)=O	ZINC000292828519	552762240	/nfs/dbraw/zinc/76/22/40/552762240.db2.gz	PLPJYYFEIOXLPT-UHFFFAOYSA-N	1	1	359.289	2.220	20	30		FEEDMO
C#CC[N@@H+](C)CCCNc1c(Br)cccc1S(C)(=O)=O	ZINC000292828519	552762242	/nfs/dbraw/zinc/76/22/42/552762242.db2.gz	PLPJYYFEIOXLPT-UHFFFAOYSA-N	1	1	359.289	2.220	20	30		FEEDMO
COC(=O)c1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n(C)c1C	ZINC000292854035	552765184	/nfs/dbraw/zinc/76/51/84/552765184.db2.gz	UNHLDGZJPHJUKO-MRXNPFEDSA-N	1	1	354.410	2.040	20	30		FEEDMO
COC(=O)c1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n(C)c1C	ZINC000292854035	552765186	/nfs/dbraw/zinc/76/51/86/552765186.db2.gz	UNHLDGZJPHJUKO-MRXNPFEDSA-N	1	1	354.410	2.040	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000292857760	552765476	/nfs/dbraw/zinc/76/54/76/552765476.db2.gz	GPPLLIZSSYOLEV-IAGOWNOFSA-N	1	1	374.533	2.111	20	30		FEEDMO
C[N@H+]1CCC[C@]2(CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1	ZINC000292968386	552775649	/nfs/dbraw/zinc/77/56/49/552775649.db2.gz	MCTZXLJDKQMHFE-CTNGQTDRSA-N	1	1	352.482	2.471	20	30		FEEDMO
N#Cc1ccsc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000293666695	552845493	/nfs/dbraw/zinc/84/54/93/552845493.db2.gz	MJTIMRYDHVZTOS-ZFWWWQNUSA-N	1	1	358.467	2.034	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1	ZINC000293977149	552872336	/nfs/dbraw/zinc/87/23/36/552872336.db2.gz	MONJUIXLDNTZSZ-UHFFFAOYSA-N	1	1	360.845	2.394	20	30		FEEDMO
C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CCN2CCO[C@H]1C2	ZINC000295121670	552961156	/nfs/dbraw/zinc/96/11/56/552961156.db2.gz	NHRPYDBTFFNUGQ-UXHICEINSA-N	1	1	365.481	2.369	20	30		FEEDMO
N#Cc1cnc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c([N+](=O)[O-])c1	ZINC000295547162	553024084	/nfs/dbraw/zinc/02/40/84/553024084.db2.gz	OZKHNEKOWUOPSL-UHFFFAOYSA-N	1	1	353.382	2.480	20	30		FEEDMO
C#Cc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1	ZINC000296432879	553159099	/nfs/dbraw/zinc/15/90/99/553159099.db2.gz	TZQMGCYTXYGEDW-UHFFFAOYSA-N	1	1	363.461	2.500	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1	ZINC000296841936	553218980	/nfs/dbraw/zinc/21/89/80/553218980.db2.gz	JHPZQOJJPUMZHS-KRWDZBQOSA-N	1	1	357.502	2.064	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1	ZINC000297590545	553312719	/nfs/dbraw/zinc/31/27/19/553312719.db2.gz	UEEABLJWJZFHQB-UHFFFAOYSA-N	1	1	361.446	2.436	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1	ZINC000299047752	553508304	/nfs/dbraw/zinc/50/83/04/553508304.db2.gz	FTIUXXIOKHXWIE-KBPBESRZSA-N	1	1	373.400	2.482	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000299071401	553511556	/nfs/dbraw/zinc/51/15/56/553511556.db2.gz	CEFHFSPTQSCPAM-RDJZCZTQSA-N	1	1	370.453	2.027	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2CC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1	ZINC000299190895	553527589	/nfs/dbraw/zinc/52/75/89/553527589.db2.gz	HAGNOHSBMYJALE-JTDSTZFVSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2CC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1	ZINC000299190895	553527590	/nfs/dbraw/zinc/52/75/90/553527590.db2.gz	HAGNOHSBMYJALE-JTDSTZFVSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2CC(=O)Nc2sccc2C#N)C[C@@H](C)O1	ZINC000299274791	553540905	/nfs/dbraw/zinc/54/09/05/553540905.db2.gz	PXIUCZNKVVRPJD-FMKPAKJESA-N	1	1	362.499	2.132	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2	ZINC000505555182	561673955	/nfs/dbraw/zinc/67/39/55/561673955.db2.gz	JFPBQHADROVZRC-HXUWFJFHSA-N	1	1	357.502	2.291	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)NCc2cc(F)cc3c2OCOC3)C1	ZINC000328694013	553808245	/nfs/dbraw/zinc/80/82/45/553808245.db2.gz	FVZLMPGMLIRSKG-CYBMUJFWSA-N	1	1	351.422	2.428	20	30		FEEDMO
Cc1nc(N2CCN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2)sc1C	ZINC000328701583	553809403	/nfs/dbraw/zinc/80/94/03/553809403.db2.gz	WTCQNKMIOFGFAP-MLGOLLRUSA-N	1	1	363.531	2.279	20	30		FEEDMO
CCc1cc(N2CCC(NC(=O)NC[C@@H]3CCC[N@H+](CC)C3)CC2)ncn1	ZINC000328705711	553810201	/nfs/dbraw/zinc/81/02/01/553810201.db2.gz	LFVKGMGBFDFYJT-INIZCTEOSA-N	1	1	374.533	2.243	20	30		FEEDMO
C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000328709904	553810829	/nfs/dbraw/zinc/81/08/29/553810829.db2.gz	BNBTYKBYGAKUTN-GOSISDBHSA-N	1	1	369.517	2.390	20	30		FEEDMO
CC(C)n1cnnc1SCC(=O)NC1CCN(c2[nH+]ccn2C)CC1	ZINC000328791268	553822924	/nfs/dbraw/zinc/82/29/24/553822924.db2.gz	ZEWYASHJGASCHO-UHFFFAOYSA-N	1	1	363.491	2.310	20	30		FEEDMO
O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[C@H]1CCn2cncc2C1	ZINC000328903116	553842088	/nfs/dbraw/zinc/84/20/88/553842088.db2.gz	HLEQZGJLYDMGAW-WDSOQIARSA-N	1	1	354.454	2.037	20	30		FEEDMO
O=C(CN1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)NC1CC[NH+](C2CC2)CC1	ZINC000328986782	553859131	/nfs/dbraw/zinc/85/91/31/553859131.db2.gz	RGMOGMJENDTTBJ-BEFAXECRSA-N	1	1	374.529	2.045	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1[C@@H](C)OCC(=O)N1Cc1ccccc1	ZINC000328999606	553862233	/nfs/dbraw/zinc/86/22/33/553862233.db2.gz	XECZFIGDMDVARN-OHRYMORCSA-N	1	1	371.481	2.242	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C	ZINC000329026194	553866885	/nfs/dbraw/zinc/86/68/85/553866885.db2.gz	VNPLNZPBGDTDJR-SPYBWZPUSA-N	1	1	361.490	2.303	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2	ZINC000329049175	553871504	/nfs/dbraw/zinc/87/15/04/553871504.db2.gz	VXZFCIQNTMSYMS-CVEARBPZSA-N	1	1	373.453	2.461	20	30		FEEDMO
O=C(NC1CC1)[C@@H](c1ccccc1)[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1	ZINC000329078094	553876652	/nfs/dbraw/zinc/87/66/52/553876652.db2.gz	CUIUKVWJYUYLRI-NQIIRXRSSA-N	1	1	371.481	2.296	20	30		FEEDMO
Cc1c(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cnn1-c1ccc(=O)[nH]n1	ZINC000329108108	553881636	/nfs/dbraw/zinc/88/16/36/553881636.db2.gz	FMQRCNBELQCBNG-AWEZNQCLSA-N	1	1	358.446	2.101	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C	ZINC000329110748	553882083	/nfs/dbraw/zinc/88/20/83/553882083.db2.gz	GMVXFVVJLQMXDX-ZACQAIPSSA-N	1	1	365.522	2.246	20	30		FEEDMO
O=C(N[C@H]1CCS(=O)(=O)C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2	ZINC000329183693	553897193	/nfs/dbraw/zinc/89/71/93/553897193.db2.gz	FQRYVCXSPLXZBV-ZIFCJYIRSA-N	1	1	362.495	2.432	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1	ZINC000329193565	553899491	/nfs/dbraw/zinc/89/94/91/553899491.db2.gz	UFRSWMWIHXXLMF-DOTOQJQBSA-N	1	1	350.507	2.250	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1	ZINC000329219046	553904951	/nfs/dbraw/zinc/90/49/51/553904951.db2.gz	AORSXIJVIYBXCH-HOTGVXAUSA-N	1	1	367.515	2.493	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3csc(N4CCCC4)n3)[C@@H]2C1	ZINC000329278817	553916537	/nfs/dbraw/zinc/91/65/37/553916537.db2.gz	LIGVOWDWAFPCCP-GDBMZVCRSA-N	1	1	363.531	2.226	20	30		FEEDMO
C[N@@H+](CC(=O)NC1CCOCC1)C1CCN(C(=O)c2ccccc2)CC1	ZINC000329295534	553919806	/nfs/dbraw/zinc/91/98/06/553919806.db2.gz	SKNBMQUQOOORME-UHFFFAOYSA-N	1	1	359.470	2.359	20	30		FEEDMO
CO[C@]1(C)CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1	ZINC000329431745	553945894	/nfs/dbraw/zinc/94/58/94/553945894.db2.gz	HZGFHJFFHSGTPY-KVSKMBFKSA-N	1	1	363.506	2.218	20	30		FEEDMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000329485037	553956085	/nfs/dbraw/zinc/95/60/85/553956085.db2.gz	QPPHUBLJOBHSCM-KRWDZBQOSA-N	1	1	358.486	2.130	20	30		FEEDMO
O=C(C[N@@H+]1CCOCC2(CC2)C1)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000329491371	553957339	/nfs/dbraw/zinc/95/73/39/553957339.db2.gz	ZGALGQFZLMUSOK-UHFFFAOYSA-N	1	1	371.481	2.095	20	30		FEEDMO
O=C(C[N@H+]1CCOCC2(CC2)C1)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000329491371	553957344	/nfs/dbraw/zinc/95/73/44/553957344.db2.gz	ZGALGQFZLMUSOK-UHFFFAOYSA-N	1	1	371.481	2.095	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C[N@H+]1C1CC1	ZINC000329529359	553962924	/nfs/dbraw/zinc/96/29/24/553962924.db2.gz	TWGZXEUGMPZPMO-OPGCRTJHSA-N	1	1	357.454	2.167	20	30		FEEDMO
CC(C)C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)CCO1	ZINC000329602559	553975177	/nfs/dbraw/zinc/97/51/77/553975177.db2.gz	KXKTUKNAJKKCED-XMTFNYHQSA-N	1	1	353.507	2.289	20	30		FEEDMO
C[N@H+]1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C2(CCCCC2)C1	ZINC000329617406	553976995	/nfs/dbraw/zinc/97/69/95/553976995.db2.gz	FUQPQRNWTMBWLI-UHFFFAOYSA-N	1	1	373.453	2.197	20	30		FEEDMO
Cc1cc(CNC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)cc(N2CCCC2)[nH+]1	ZINC000329633633	553980224	/nfs/dbraw/zinc/98/02/24/553980224.db2.gz	WUEBPOBRYCWRRJ-MSOLQXFVSA-N	1	1	374.485	2.284	20	30		FEEDMO
Cc1cc(CNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc(N2CCCC2)[nH+]1	ZINC000329649744	553982005	/nfs/dbraw/zinc/98/20/05/553982005.db2.gz	JQPNJAROIDSILQ-YLJYHZDGSA-N	1	1	374.485	2.332	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2(C)CCCCC2)CC1	ZINC000329746893	553998920	/nfs/dbraw/zinc/99/89/20/553998920.db2.gz	SBGAWQIXRJDGLI-MRXNPFEDSA-N	1	1	350.507	2.109	20	30		FEEDMO
Cc1ccc(N2CCC[C@H](NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)nn1	ZINC000329771355	554003094	/nfs/dbraw/zinc/00/30/94/554003094.db2.gz	JSIPSAVQFYNKLM-OOKSDGMUSA-N	1	1	372.517	2.273	20	30		FEEDMO
CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(OCCCC#N)c1	ZINC000507154707	561719565	/nfs/dbraw/zinc/71/95/65/561719565.db2.gz	KSMVGPPVWHMTMM-KRWDZBQOSA-N	1	1	365.499	2.273	20	30		FEEDMO
CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1	ZINC000507154707	561719566	/nfs/dbraw/zinc/71/95/66/561719566.db2.gz	KSMVGPPVWHMTMM-KRWDZBQOSA-N	1	1	365.499	2.273	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)CC[N@@H+]1C	ZINC000329803897	554008701	/nfs/dbraw/zinc/00/87/01/554008701.db2.gz	JYSCJQLVGYYQTE-OLZOCXBDSA-N	1	1	373.457	2.296	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O	ZINC000329810107	554009653	/nfs/dbraw/zinc/00/96/53/554009653.db2.gz	BHRYAOMPGYDFMW-QUHUKJRKSA-N	1	1	362.474	2.131	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)CC2)CCO1	ZINC000329812491	554010303	/nfs/dbraw/zinc/01/03/03/554010303.db2.gz	SBDYOSGSVZNHBY-BZZMCLGOSA-N	1	1	365.518	2.289	20	30		FEEDMO
CC1(C)[C@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)[C@@H]2CCCO[C@H]21	ZINC000329814782	554010896	/nfs/dbraw/zinc/01/08/96/554010896.db2.gz	USGPGDNDLQTLAR-XMTFNYHQSA-N	1	1	365.518	2.291	20	30		FEEDMO
CC[C@@H](NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)C1CCOCC1	ZINC000329873019	554022764	/nfs/dbraw/zinc/02/27/64/554022764.db2.gz	BVJCSNPUJCOQQZ-GOSISDBHSA-N	1	1	363.506	2.047	20	30		FEEDMO
CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)C1CCOCC1	ZINC000329873019	554022768	/nfs/dbraw/zinc/02/27/68/554022768.db2.gz	BVJCSNPUJCOQQZ-GOSISDBHSA-N	1	1	363.506	2.047	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000507320490	561724795	/nfs/dbraw/zinc/72/47/95/561724795.db2.gz	AGFQJYXKRLWUDL-DNVCBOLYSA-N	1	1	351.491	2.342	20	30		FEEDMO
CN1CCO[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@H]21	ZINC000329927406	554033430	/nfs/dbraw/zinc/03/34/30/554033430.db2.gz	LNXAYIMVPAYOAJ-HZPDHXFCSA-N	1	1	374.510	2.491	20	30		FEEDMO
Cc1csc(NC(=O)C[N@H+](C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)n1	ZINC000329938784	554035642	/nfs/dbraw/zinc/03/56/42/554035642.db2.gz	FFVXHDCICZSIRU-RYUDHWBXSA-N	1	1	368.438	2.280	20	30		FEEDMO
Cc1csc(NC(=O)C[N@@H+](C)C[C@@H]2C[C@H](F)CN2c2nnc(C)o2)n1	ZINC000329938784	554035645	/nfs/dbraw/zinc/03/56/45/554035645.db2.gz	FFVXHDCICZSIRU-RYUDHWBXSA-N	1	1	368.438	2.280	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1C	ZINC000330008910	554048583	/nfs/dbraw/zinc/04/85/83/554048583.db2.gz	GZCWHMNGDWGNAC-RHSMWYFYSA-N	1	1	373.501	2.402	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCC3=O)C2)C1	ZINC000330072926	554059595	/nfs/dbraw/zinc/05/95/95/554059595.db2.gz	ZKHOHWGZBDUOTQ-IAGOWNOFSA-N	1	1	364.534	2.498	20	30		FEEDMO
Cc1nc(N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N	ZINC000330180921	554079451	/nfs/dbraw/zinc/07/94/51/554079451.db2.gz	NQZISXUXZZUYAT-IYBDPMFKSA-N	1	1	358.486	2.356	20	30		FEEDMO
Cc1nc(N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N	ZINC000330180921	554079455	/nfs/dbraw/zinc/07/94/55/554079455.db2.gz	NQZISXUXZZUYAT-IYBDPMFKSA-N	1	1	358.486	2.356	20	30		FEEDMO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cn1	ZINC000330189400	554081332	/nfs/dbraw/zinc/08/13/32/554081332.db2.gz	VGAALCPUXARQCI-HPFXQQBRSA-N	1	1	374.489	2.146	20	30		FEEDMO
CO[C@]1(C)C[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1(C)C	ZINC000330205594	554085020	/nfs/dbraw/zinc/08/50/20/554085020.db2.gz	CPBNUDCTXQAOOE-ZSZQSSIHSA-N	1	1	353.507	2.289	20	30		FEEDMO
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000330206342	554085124	/nfs/dbraw/zinc/08/51/24/554085124.db2.gz	DEMNUKRZTGSRBK-JZXOWHBKSA-N	1	1	353.507	2.147	20	30		FEEDMO
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000330206344	554085152	/nfs/dbraw/zinc/08/51/52/554085152.db2.gz	DEMNUKRZTGSRBK-NUJGCVRESA-N	1	1	353.507	2.147	20	30		FEEDMO
C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)c1cncc(F)c1	ZINC000330231918	554089988	/nfs/dbraw/zinc/08/99/88/554089988.db2.gz	RGCNGEKFMXYRQQ-KGLIPLIRSA-N	1	1	350.438	2.381	20	30		FEEDMO
O=C(CN1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1)NC1CCCCC1	ZINC000330234647	554090348	/nfs/dbraw/zinc/09/03/48/554090348.db2.gz	SSAKHKJXVYEMJS-GOSISDBHSA-N	1	1	362.518	2.047	20	30		FEEDMO
CC(C)c1nc([C@@H]2CCCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)C2)no1	ZINC000330243165	554091526	/nfs/dbraw/zinc/09/15/26/554091526.db2.gz	CMTPQWGEDQKHIA-KGLIPLIRSA-N	1	1	358.446	2.498	20	30		FEEDMO
CC[NH+]1CCN(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1	ZINC000330241512	554091718	/nfs/dbraw/zinc/09/17/18/554091718.db2.gz	IZDVJJDIHOGNBW-AZUAARDMSA-N	1	1	363.477	2.451	20	30		FEEDMO
C[C@@H]1CC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCS1	ZINC000330260060	554094575	/nfs/dbraw/zinc/09/45/75/554094575.db2.gz	NXGAQCLFQLIFBK-LLVKDONJSA-N	1	1	350.423	2.217	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCS1	ZINC000330260060	554094576	/nfs/dbraw/zinc/09/45/76/554094576.db2.gz	NXGAQCLFQLIFBK-LLVKDONJSA-N	1	1	350.423	2.217	20	30		FEEDMO
Cc1noc(C)c1C[C@H](C)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000330272286	554097275	/nfs/dbraw/zinc/09/72/75/554097275.db2.gz	XJXXISGKXDXRHZ-KBPBESRZSA-N	1	1	364.490	2.322	20	30		FEEDMO
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21	ZINC000330276362	554097712	/nfs/dbraw/zinc/09/77/12/554097712.db2.gz	MUDRNJNEUIXDIM-MLHJIOFPSA-N	1	1	364.534	2.354	20	30		FEEDMO
Cn1cc[nH+]c1N1CCC(NC(=O)Cc2ccc3c(c2)OCCO3)CC1	ZINC000330296531	554101424	/nfs/dbraw/zinc/10/14/24/554101424.db2.gz	KFSQSWWRSNCZBK-UHFFFAOYSA-N	1	1	356.426	2.359	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)C1	ZINC000330355271	554110631	/nfs/dbraw/zinc/11/06/31/554110631.db2.gz	QLJFNYGVPDPHNW-RYRKJORJSA-N	1	1	363.506	2.102	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N(C)CC(F)(F)F	ZINC000330406369	554117284	/nfs/dbraw/zinc/11/72/84/554117284.db2.gz	WOSAQDWUCIBCFM-CYBMUJFWSA-N	1	1	359.396	2.000	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1	ZINC000330409229	554117694	/nfs/dbraw/zinc/11/76/94/554117694.db2.gz	JYTRTDQFFOZWSC-WMZOPIPTSA-N	1	1	364.515	2.109	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1C(F)F	ZINC000330599159	554143256	/nfs/dbraw/zinc/14/32/56/554143256.db2.gz	ZZCCOQOEGLJQHO-OLZOCXBDSA-N	1	1	373.448	2.409	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1C(F)F	ZINC000330599159	554143258	/nfs/dbraw/zinc/14/32/58/554143258.db2.gz	ZZCCOQOEGLJQHO-OLZOCXBDSA-N	1	1	373.448	2.409	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000330898107	554184735	/nfs/dbraw/zinc/18/47/35/554184735.db2.gz	OUFNKCZNSUZMBA-RYUDHWBXSA-N	1	1	357.380	2.368	20	30		FEEDMO
CC(C)NC(=O)NC1(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CCCCC1	ZINC000330969522	554195758	/nfs/dbraw/zinc/19/57/58/554195758.db2.gz	JJKKJBBUSUUSFI-INIZCTEOSA-N	1	1	352.523	2.449	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)CC[N@H+]1C[C@@H](C)O	ZINC000331128380	554218094	/nfs/dbraw/zinc/21/80/94/554218094.db2.gz	IGHGUVRYBXQJBY-IUODEOHRSA-N	1	1	366.437	2.107	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)NCCCCn1cc[nH+]c1C	ZINC000508712527	561770608	/nfs/dbraw/zinc/77/06/08/561770608.db2.gz	QSMOUPLKTJDDQQ-UHFFFAOYSA-N	1	1	360.483	2.364	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)c(C#N)cc1N(C)C	ZINC000331232176	554234160	/nfs/dbraw/zinc/23/41/60/554234160.db2.gz	IWACOWGCEJMEAK-UHFFFAOYSA-N	1	1	373.501	2.243	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2S(C)(=O)=O)C[C@@H]1C	ZINC000331274619	554240034	/nfs/dbraw/zinc/24/00/34/554240034.db2.gz	HXJJUJXNLPWFJP-KBPBESRZSA-N	1	1	353.488	2.440	20	30		FEEDMO
CC(=O)Nc1ccc(F)c(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1	ZINC000331295492	554242887	/nfs/dbraw/zinc/24/28/87/554242887.db2.gz	NKEAOJPQNBTOIR-LBPRGKRZSA-N	1	1	366.437	2.107	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000509204564	561790051	/nfs/dbraw/zinc/79/00/51/561790051.db2.gz	XCYRHKPPNHYFRM-GVDBMIGSSA-N	1	1	364.515	2.060	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000509204564	561790052	/nfs/dbraw/zinc/79/00/52/561790052.db2.gz	XCYRHKPPNHYFRM-GVDBMIGSSA-N	1	1	364.515	2.060	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2ccco2)CC1	ZINC000332022469	554365352	/nfs/dbraw/zinc/36/53/52/554365352.db2.gz	GITKLBYYRABEFN-QZTJIDSGSA-N	1	1	358.486	2.499	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2c2ccco2)CC1	ZINC000332022469	554365356	/nfs/dbraw/zinc/36/53/56/554365356.db2.gz	GITKLBYYRABEFN-QZTJIDSGSA-N	1	1	358.486	2.499	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC([N@H+]2CCO[C@H](C)C2)CC1	ZINC000332029098	554366949	/nfs/dbraw/zinc/36/69/49/554366949.db2.gz	HITSRBXPCUKXSN-CVEARBPZSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000332464990	554450698	/nfs/dbraw/zinc/45/06/98/554450698.db2.gz	QEOHZVJJHUPKTO-GXTWGEPZSA-N	1	1	360.845	2.235	20	30		FEEDMO
C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000332464990	554450700	/nfs/dbraw/zinc/45/07/00/554450700.db2.gz	QEOHZVJJHUPKTO-GXTWGEPZSA-N	1	1	360.845	2.235	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000332667895	554493930	/nfs/dbraw/zinc/49/39/30/554493930.db2.gz	MIWCSTLUJUSJLN-CHWSQXEVSA-N	1	1	372.860	2.954	20	30		FEEDMO
Cc1cc(NC(=O)CC[NH+]2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)no1	ZINC000610556661	554528138	/nfs/dbraw/zinc/52/81/38/554528138.db2.gz	NGAIFFVBJHVRFG-KRWDZBQOSA-N	1	1	371.416	2.333	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](n2ccnn2)C1	ZINC000333456988	554615224	/nfs/dbraw/zinc/61/52/24/554615224.db2.gz	ZTLPIDXPUYSSOO-VZDIDWBNSA-N	1	1	358.490	2.234	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](n2ccnn2)C1	ZINC000333456988	554615226	/nfs/dbraw/zinc/61/52/26/554615226.db2.gz	ZTLPIDXPUYSSOO-VZDIDWBNSA-N	1	1	358.490	2.234	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)C1CC1	ZINC000333874587	554651463	/nfs/dbraw/zinc/65/14/63/554651463.db2.gz	QCXAXRPKPWMBNH-GOEBONIOSA-N	1	1	373.419	2.476	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)C1CC1	ZINC000333874587	554651464	/nfs/dbraw/zinc/65/14/64/554651464.db2.gz	QCXAXRPKPWMBNH-GOEBONIOSA-N	1	1	373.419	2.476	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1=O	ZINC000348577021	554689264	/nfs/dbraw/zinc/68/92/64/554689264.db2.gz	LKGBJUOJTBQGLZ-ZWKOTPCHSA-N	1	1	359.470	2.266	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1	ZINC000360113532	554863565	/nfs/dbraw/zinc/86/35/65/554863565.db2.gz	UDWUNLLXYAODSG-HUUCEWRRSA-N	1	1	362.499	2.383	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)CC1	ZINC000360443127	554875080	/nfs/dbraw/zinc/87/50/80/554875080.db2.gz	BOGOORNPBGROKZ-OAQYLSRUSA-N	1	1	369.509	2.390	20	30		FEEDMO
CCc1nc([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)no1	ZINC000363103144	555030900	/nfs/dbraw/zinc/03/09/00/555030900.db2.gz	CSSLOMSFSYBGNO-CVEARBPZSA-N	1	1	356.426	2.123	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000363397912	555095241	/nfs/dbraw/zinc/09/52/41/555095241.db2.gz	YYZBTFZDIAMMBR-AWEZNQCLSA-N	1	1	366.469	2.185	20	30		FEEDMO
CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1	ZINC000363407024	555097918	/nfs/dbraw/zinc/09/79/18/555097918.db2.gz	RPBXTQRQPCVPKQ-IBGZPJMESA-N	1	1	355.486	2.020	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1	ZINC000363522076	555127075	/nfs/dbraw/zinc/12/70/75/555127075.db2.gz	ADEWCKPBOHIBRA-SFHVURJKSA-N	1	1	370.478	2.144	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1	ZINC000363522076	555127078	/nfs/dbraw/zinc/12/70/78/555127078.db2.gz	ADEWCKPBOHIBRA-SFHVURJKSA-N	1	1	370.478	2.144	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C	ZINC000363624660	555149530	/nfs/dbraw/zinc/14/95/30/555149530.db2.gz	JRCAWQNOZDPHPA-CVEARBPZSA-N	1	1	367.519	2.197	20	30		FEEDMO
C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@H+]1C	ZINC000363716434	555170517	/nfs/dbraw/zinc/17/05/17/555170517.db2.gz	RPILFCVJTAAFNF-HIFRSBDPSA-N	1	1	370.432	2.829	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000363941980	555218683	/nfs/dbraw/zinc/21/86/83/555218683.db2.gz	SFQWHOWYIUSCGB-IRXDYDNUSA-N	1	1	357.454	2.469	20	30		FEEDMO
C=CCN(C[C@H](C)CS(C)(=O)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363946227	555219532	/nfs/dbraw/zinc/21/95/32/555219532.db2.gz	BZPQQWBUKPUWKK-HKUYNNGSSA-N	1	1	350.528	2.430	20	30		FEEDMO
C=CCN(C[C@H](C)CS(C)(=O)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363946227	555219533	/nfs/dbraw/zinc/21/95/33/555219533.db2.gz	BZPQQWBUKPUWKK-HKUYNNGSSA-N	1	1	350.528	2.430	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)NCC#Cc3cccc(F)c3)CC2)c1	ZINC000512189781	561895281	/nfs/dbraw/zinc/89/52/81/561895281.db2.gz	OSHZDILDOFWHMB-UHFFFAOYSA-N	1	1	352.413	2.412	20	30		FEEDMO
N#CCN1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1	ZINC000364038432	555238178	/nfs/dbraw/zinc/23/81/78/555238178.db2.gz	WDVYZMAIJPURAS-KRWDZBQOSA-N	1	1	355.486	2.161	20	30		FEEDMO
CN(C(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000364154502	555259521	/nfs/dbraw/zinc/25/95/21/555259521.db2.gz	FHVWRTJUGLDRRN-FQEVSTJZSA-N	1	1	366.509	2.217	20	30		FEEDMO
CN(C(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000364154502	555259523	/nfs/dbraw/zinc/25/95/23/555259523.db2.gz	FHVWRTJUGLDRRN-FQEVSTJZSA-N	1	1	366.509	2.217	20	30		FEEDMO
NC(=O)C1([NH+]2CCN(CC#Cc3ccc(Cl)cc3)CC2)CCCCC1	ZINC000364335624	555293747	/nfs/dbraw/zinc/29/37/47/555293747.db2.gz	HJLCWCOFMPABIW-UHFFFAOYSA-N	1	1	359.901	2.497	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[N@H+]([C@H](C)CO)CC1	ZINC000364388297	555304354	/nfs/dbraw/zinc/30/43/54/555304354.db2.gz	RWNZPZNZXNZOMD-OAHLLOKOSA-N	1	1	360.458	2.266	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@H](C)C1	ZINC000512951859	561920705	/nfs/dbraw/zinc/92/07/05/561920705.db2.gz	XJGZHFDLEXPJFW-BEFAXECRSA-N	1	1	361.461	2.493	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@](C)(CC(=O)OC)c1cccc(F)c1	ZINC000513138145	561926522	/nfs/dbraw/zinc/92/65/22/561926522.db2.gz	DRLBHEWQGWUMCU-KUHUBIRLSA-N	1	1	363.433	2.202	20	30		FEEDMO
COCC[N@@H+](C)CC[C@H](NC(=O)c1cnccc1C#N)c1ccccc1	ZINC000513198882	561929134	/nfs/dbraw/zinc/92/91/34/561929134.db2.gz	JFNZYFLQUBJVHG-IBGZPJMESA-N	1	1	352.438	2.393	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1	ZINC000365542953	555604768	/nfs/dbraw/zinc/60/47/68/555604768.db2.gz	AODYDDNHIOUKKH-IHPCNDPISA-N	1	1	369.513	2.289	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)C2)n1	ZINC000366039772	555734172	/nfs/dbraw/zinc/73/41/72/555734172.db2.gz	HIXBCTRIBOWFIS-FNHZYXHNSA-N	1	1	367.497	2.077	20	30		FEEDMO
N#CC(CC[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)(c1ccccc1)c1ccccc1	ZINC000366335695	555814736	/nfs/dbraw/zinc/81/47/36/555814736.db2.gz	VEDLIMCRIONORT-PMACEKPBSA-N	1	1	373.456	2.481	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)NCC3(CC#N)CC3)CC2)oc1C	ZINC000366835569	555946976	/nfs/dbraw/zinc/94/69/76/555946976.db2.gz	WKMUQHICDHTGLG-UHFFFAOYSA-N	1	1	359.474	2.497	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)c2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1	ZINC000366953741	555981375	/nfs/dbraw/zinc/98/13/75/555981375.db2.gz	GMDFFVVPXZEFIN-OAQYLSRUSA-N	1	1	362.477	2.471	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C[N@H+]1C1CC1	ZINC000367154876	556002399	/nfs/dbraw/zinc/00/23/99/556002399.db2.gz	YCOWDMCVPVHGJS-HOTGVXAUSA-N	1	1	353.470	2.274	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C[N@H+]1C1CC1	ZINC000367154877	556002589	/nfs/dbraw/zinc/00/25/89/556002589.db2.gz	YCOWDMCVPVHGJS-HZPDHXFCSA-N	1	1	353.470	2.274	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NC1CC[NH+](Cc2ccsc2)CC1	ZINC000367249772	556004159	/nfs/dbraw/zinc/00/41/59/556004159.db2.gz	BGJCPZHFECXSQU-CQSZACIVSA-N	1	1	370.544	2.028	20	30		FEEDMO
COc1cc(OC)c2ncc(C#N)c(N3CCC[N@H+]([C@@H](C)CO)CC3)c2c1	ZINC000367825840	556148511	/nfs/dbraw/zinc/14/85/11/556148511.db2.gz	LOBTUAKYGNUZHO-AWEZNQCLSA-N	1	1	370.453	2.017	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@H]21	ZINC000367843986	556152661	/nfs/dbraw/zinc/15/26/61/556152661.db2.gz	RLQDHHXZUOPAMX-JTDSTZFVSA-N	1	1	356.445	2.076	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](CC(N)=O)C3)sc2C1	ZINC000367987556	556188659	/nfs/dbraw/zinc/18/86/59/556188659.db2.gz	FTXGFCFIOOMGTM-STQMWFEESA-N	1	1	374.510	2.270	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1	ZINC000368066892	556209120	/nfs/dbraw/zinc/20/91/20/556209120.db2.gz	ZOZSBBILDBONMJ-IEZWGBDMSA-N	1	1	363.889	2.402	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1	ZINC000368066892	556209116	/nfs/dbraw/zinc/20/91/16/556209116.db2.gz	ZOZSBBILDBONMJ-IEZWGBDMSA-N	1	1	363.889	2.402	20	30		FEEDMO
CN(C1CC[NH+](Cc2ccncc2)CC1)S(=O)(=O)CCC(C)(C)C#N	ZINC000368136978	556227507	/nfs/dbraw/zinc/22/75/07/556227507.db2.gz	WXCCQMXGIBDMGT-UHFFFAOYSA-N	1	1	364.515	2.247	20	30		FEEDMO
C=CCn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C	ZINC000515333512	562005571	/nfs/dbraw/zinc/00/55/71/562005571.db2.gz	STGXTFAZBJDAPO-ULQDDVLXSA-N	1	1	365.522	2.355	20	30		FEEDMO
N#Cc1cc(NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc(N)c1[N+](=O)[O-]	ZINC000368547145	556341835	/nfs/dbraw/zinc/34/18/35/556341835.db2.gz	ZYXZAMLETIILLY-IAGOWNOFSA-N	1	1	367.409	2.096	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCc2nn(C(C)C)c(=O)cc2C1	ZINC000368693036	556387173	/nfs/dbraw/zinc/38/71/73/556387173.db2.gz	GDBAQXKSPGHINK-UHFFFAOYSA-N	1	1	368.437	2.142	20	30		FEEDMO
Cc1cc(C[NH+]2CCC(N(C)C(=O)c3ccc(C#N)c(C)n3)CC2)on1	ZINC000368968004	556462354	/nfs/dbraw/zinc/46/23/54/556462354.db2.gz	FCCYBNUVTLAMHS-UHFFFAOYSA-N	1	1	353.426	2.295	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O	ZINC000368972257	556464252	/nfs/dbraw/zinc/46/42/52/556464252.db2.gz	FZOSHIQGLRCDIP-DIECFANBSA-N	1	1	361.511	2.237	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O	ZINC000368972257	556464255	/nfs/dbraw/zinc/46/42/55/556464255.db2.gz	FZOSHIQGLRCDIP-DIECFANBSA-N	1	1	361.511	2.237	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000369059466	556492176	/nfs/dbraw/zinc/49/21/76/556492176.db2.gz	WQIIONOCLJQHAC-OAHLLOKOSA-N	1	1	370.453	2.029	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)n1	ZINC000369239575	556545804	/nfs/dbraw/zinc/54/58/04/556545804.db2.gz	GPYBYLMDSOGJSW-GOSISDBHSA-N	1	1	352.442	2.260	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)n1	ZINC000369239575	556545805	/nfs/dbraw/zinc/54/58/05/556545805.db2.gz	GPYBYLMDSOGJSW-GOSISDBHSA-N	1	1	352.442	2.260	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1	ZINC000369609693	556646866	/nfs/dbraw/zinc/64/68/66/556646866.db2.gz	RWSUUZXFIGFAGP-OAHLLOKOSA-N	1	1	373.505	2.007	20	30		FEEDMO
C=CCN1CC[C@@H](N(C)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1=O	ZINC000369855755	556713650	/nfs/dbraw/zinc/71/36/50/556713650.db2.gz	JDNDOYBWEKIBBG-RBUKOAKNSA-N	1	1	370.497	2.079	20	30		FEEDMO
CCS[C@H]1CC[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000516599258	562050029	/nfs/dbraw/zinc/05/00/29/562050029.db2.gz	ZBCOXIPBCXPWMJ-GJZGRUSLSA-N	1	1	353.513	2.333	20	30		FEEDMO
CCS[C@H]1CC[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000516599258	562050031	/nfs/dbraw/zinc/05/00/31/562050031.db2.gz	ZBCOXIPBCXPWMJ-GJZGRUSLSA-N	1	1	353.513	2.333	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1	ZINC000370295250	556832233	/nfs/dbraw/zinc/83/22/33/556832233.db2.gz	VMRQRHUPBDOLJG-IIAWOOMASA-N	1	1	370.544	2.057	20	30		FEEDMO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1	ZINC000516719373	562055624	/nfs/dbraw/zinc/05/56/24/562055624.db2.gz	UVQROPRDQVKTBE-JFIYKMOQSA-N	1	1	369.517	2.421	20	30		FEEDMO
C[N@@H+](CCOCc1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000516874039	562062182	/nfs/dbraw/zinc/06/21/82/562062182.db2.gz	FJPQGLFFGGFDNO-OAHLLOKOSA-N	1	1	355.360	2.170	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1	ZINC000370774089	556964485	/nfs/dbraw/zinc/96/44/85/556964485.db2.gz	NYKCXQDCNNFUOP-UYAOXDASSA-N	1	1	354.454	2.230	20	30		FEEDMO
Cn1cc([C@H]2[C@@H](CNC(=O)c3cccc(CC#N)c3)CCC[N@H+]2C)cn1	ZINC000370909705	557011782	/nfs/dbraw/zinc/01/17/82/557011782.db2.gz	DMIJEJNSIACWMV-IEBWSBKVSA-N	1	1	351.454	2.299	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)nc3)[C@H](C)C2)s1	ZINC000370962501	557028669	/nfs/dbraw/zinc/02/86/69/557028669.db2.gz	OOJYOIPZWKLUOC-SJKOYZFVSA-N	1	1	355.467	2.359	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C1CC1	ZINC000370965924	557029930	/nfs/dbraw/zinc/02/99/30/557029930.db2.gz	BKLRCDMPWJKQOO-UYAOXDASSA-N	1	1	352.482	2.097	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2ccnc(C(C)C)n2)CC1	ZINC000371229882	557113779	/nfs/dbraw/zinc/11/37/79/557113779.db2.gz	NTAQMIWLXUQPSH-CQSZACIVSA-N	1	1	359.474	2.180	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C4(CCC4)C3)CC2)o1	ZINC000371440565	557187992	/nfs/dbraw/zinc/18/79/92/557187992.db2.gz	RZZXFOOZWUPDTK-OAHLLOKOSA-N	1	1	371.485	2.015	20	30		FEEDMO
C=CCOCCNC(=O)N(C)[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000371631253	557245616	/nfs/dbraw/zinc/24/56/16/557245616.db2.gz	BOXXAYDRABLRFV-HKUYNNGSSA-N	1	1	361.486	2.120	20	30		FEEDMO
C=CCOCCNC(=O)N(C)[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000371631253	557245618	/nfs/dbraw/zinc/24/56/18/557245618.db2.gz	BOXXAYDRABLRFV-HKUYNNGSSA-N	1	1	361.486	2.120	20	30		FEEDMO
C=CCN(C(=O)NCCNC(=O)C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372173701	557399435	/nfs/dbraw/zinc/39/94/35/557399435.db2.gz	SFDWYUXWXUDWFM-LJQANCHMSA-N	1	1	372.513	2.231	20	30		FEEDMO
N#C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000372229637	557416291	/nfs/dbraw/zinc/41/62/91/557416291.db2.gz	XRSDOJDQDLGBNW-YCRPNKLZSA-N	1	1	360.417	2.361	20	30		FEEDMO
N#C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000372229637	557416294	/nfs/dbraw/zinc/41/62/94/557416294.db2.gz	XRSDOJDQDLGBNW-YCRPNKLZSA-N	1	1	360.417	2.361	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000519170073	562126592	/nfs/dbraw/zinc/12/65/92/562126592.db2.gz	IWRWCJAVNQCSRG-OAHLLOKOSA-N	1	1	360.477	2.117	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C	ZINC000372478313	557480805	/nfs/dbraw/zinc/48/08/05/557480805.db2.gz	QBXIMHMMHYDTLH-YDZRNGNQSA-N	1	1	351.535	2.279	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C	ZINC000372478313	557480808	/nfs/dbraw/zinc/48/08/08/557480808.db2.gz	QBXIMHMMHYDTLH-YDZRNGNQSA-N	1	1	351.535	2.279	20	30		FEEDMO
O=C(C[N@@H+]1CC[C@](O)(C2CC2)C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000373237916	557655805	/nfs/dbraw/zinc/65/58/05/557655805.db2.gz	WCGWHDOKADNNBW-GOSISDBHSA-N	1	1	366.383	2.020	20	30		FEEDMO
Cc1cc(=NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]n1CCC#N	ZINC000373410790	557688607	/nfs/dbraw/zinc/68/86/07/557688607.db2.gz	CKPYDVAUDPOPNV-GOSISDBHSA-N	1	1	366.469	2.749	20	30		FEEDMO
N#C[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C[C@H]2CCCc3ccccc32)C1	ZINC000373506645	557707023	/nfs/dbraw/zinc/70/70/23/557707023.db2.gz	MVINSZBNPKMXRT-GUDVDZBRSA-N	1	1	353.466	2.179	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@H](NC(=O)C[C@H](CC#N)c3ccccc3)C2)CC1	ZINC000373507430	557707882	/nfs/dbraw/zinc/70/78/82/557707882.db2.gz	IAHSYEDIVWTFHQ-OALUTQOASA-N	1	1	354.498	2.359	20	30		FEEDMO
C[NH+]1CCC(N2CC[C@H](NC(=O)C[C@H](CC#N)c3ccccc3)C2)CC1	ZINC000373507430	557707885	/nfs/dbraw/zinc/70/78/85/557707885.db2.gz	IAHSYEDIVWTFHQ-OALUTQOASA-N	1	1	354.498	2.359	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12	ZINC000373527973	557711383	/nfs/dbraw/zinc/71/13/83/557711383.db2.gz	QYCKKYGMJMLFDK-NRFANRHFSA-N	1	1	360.417	2.483	20	30		FEEDMO
C=CCN(C(=O)NCc1ncnn1CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000373538699	557713569	/nfs/dbraw/zinc/71/35/69/557713569.db2.gz	OYFGMPDWNFNTDA-SFHVURJKSA-N	1	1	368.485	2.270	20	30		FEEDMO
C=CCN(C(=O)[C@H](OC)c1cnn(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000373987031	557801967	/nfs/dbraw/zinc/80/19/67/557801967.db2.gz	WKAQBLPXRMZBJZ-WOJBJXKFSA-N	1	1	368.481	2.397	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(C)=O	ZINC000374175766	557837647	/nfs/dbraw/zinc/83/76/47/557837647.db2.gz	PHZQHISQGMRVHW-MSOLQXFVSA-N	1	1	357.454	2.421	20	30		FEEDMO
Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cn1	ZINC000374259179	557853107	/nfs/dbraw/zinc/85/31/07/557853107.db2.gz	ZKJJGIXCAZLHPO-WMZOPIPTSA-N	1	1	350.426	2.028	20	30		FEEDMO
C#CCOc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cc1	ZINC000374351508	557869966	/nfs/dbraw/zinc/86/99/66/557869966.db2.gz	OUFISQKHIAZXOY-HXUWFJFHSA-N	1	1	356.466	2.206	20	30		FEEDMO
C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cc1	ZINC000374351508	557869967	/nfs/dbraw/zinc/86/99/67/557869967.db2.gz	OUFISQKHIAZXOY-HXUWFJFHSA-N	1	1	356.466	2.206	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)cc1	ZINC000374556342	557899429	/nfs/dbraw/zinc/89/94/29/557899429.db2.gz	LDCLIWWLSGZIJE-QFIPXVFZSA-N	1	1	363.461	2.201	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)cc1	ZINC000374556342	557899430	/nfs/dbraw/zinc/89/94/30/557899430.db2.gz	LDCLIWWLSGZIJE-QFIPXVFZSA-N	1	1	363.461	2.201	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)cc1	ZINC000374559279	557899766	/nfs/dbraw/zinc/89/97/66/557899766.db2.gz	FZZQKHHLCWHALI-IRLDBZIGSA-N	1	1	366.461	2.324	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C1	ZINC000375033578	557967511	/nfs/dbraw/zinc/96/75/11/557967511.db2.gz	WXLARUFPRBGKJC-IBGZPJMESA-N	1	1	352.482	2.094	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2ccc(C#N)c(Cl)n2)C[C@H](C)O1	ZINC000375085133	557975315	/nfs/dbraw/zinc/97/53/15/557975315.db2.gz	QEHAJCVBLBMVHE-VNHYZAJKSA-N	1	1	362.861	2.320	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2ccc(C#N)c(Cl)n2)C[C@H](C)O1	ZINC000375085133	557975316	/nfs/dbraw/zinc/97/53/16/557975316.db2.gz	QEHAJCVBLBMVHE-VNHYZAJKSA-N	1	1	362.861	2.320	20	30		FEEDMO
C[C@H](NC(=O)c1ccc(C#N)c(Cl)n1)C1([NH+]2CCOCC2)CCCC1	ZINC000375095716	557977233	/nfs/dbraw/zinc/97/72/33/557977233.db2.gz	WWIYMYHDIYYGKP-ZDUSSCGKSA-N	1	1	362.861	2.370	20	30		FEEDMO
CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)C1	ZINC000375234034	557996185	/nfs/dbraw/zinc/99/61/85/557996185.db2.gz	OPDQUJHVLZFJKZ-GJZGRUSLSA-N	1	1	366.259	2.239	20	30		FEEDMO
CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)C1	ZINC000375234034	557996187	/nfs/dbraw/zinc/99/61/87/557996187.db2.gz	OPDQUJHVLZFJKZ-GJZGRUSLSA-N	1	1	366.259	2.239	20	30		FEEDMO
C[C@H]1C[C@H](CNS(=O)(=O)c2cccnc2C#N)C[N@H+]1Cc1ccccc1	ZINC000375440147	558027585	/nfs/dbraw/zinc/02/75/85/558027585.db2.gz	YLRPOVXZKUUUTA-DOTOQJQBSA-N	1	1	370.478	2.142	20	30		FEEDMO
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[nH]1	ZINC000375453307	558029932	/nfs/dbraw/zinc/02/99/32/558029932.db2.gz	OMMUJDLASAJOAB-CRAIPNDOSA-N	1	1	351.454	3.042	20	30		FEEDMO
CC(C)n1cc(C#N)c(=NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[nH]1	ZINC000375453307	558029934	/nfs/dbraw/zinc/02/99/34/558029934.db2.gz	OMMUJDLASAJOAB-CRAIPNDOSA-N	1	1	351.454	3.042	20	30		FEEDMO
C#CC[C@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1	ZINC000376208078	558141225	/nfs/dbraw/zinc/14/12/25/558141225.db2.gz	CFARIUKQPVNEKA-PMACEKPBSA-N	1	1	354.498	2.172	20	30		FEEDMO
N#Cc1ccc(S(N)(=O)=O)cc1NC[C@H]1CCC[N@H+]1C1CCCCC1	ZINC000376433343	558172676	/nfs/dbraw/zinc/17/26/76/558172676.db2.gz	HQOLNEKEBMXVRN-MRXNPFEDSA-N	1	1	362.499	2.415	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)C1	ZINC000376640492	558201786	/nfs/dbraw/zinc/20/17/86/558201786.db2.gz	IHIZJCDVPNPJGZ-ZDUSSCGKSA-N	1	1	362.424	2.121	20	30		FEEDMO
N#Cc1cccc(C[NH2+]CCCCN2CCN(c3ncccn3)CC2)c1	ZINC000521829113	562184297	/nfs/dbraw/zinc/18/42/97/562184297.db2.gz	NYKQECDPADIFKA-UHFFFAOYSA-N	1	1	350.470	2.040	20	30		FEEDMO
N#Cc1cc(F)c(N2CCC(C(=O)NCC[N@@H+]3CC=CCC3)CC2)c(F)c1	ZINC000377214260	558290421	/nfs/dbraw/zinc/29/04/21/558290421.db2.gz	ULRNVCGSZJRKSM-UHFFFAOYSA-N	1	1	374.435	2.431	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1	ZINC000377256199	558299853	/nfs/dbraw/zinc/29/98/53/558299853.db2.gz	RIQYUXGOBVNMLZ-LJQANCHMSA-N	1	1	357.498	2.109	20	30		FEEDMO
Cn1cc([C@@H]2C[N@@H+](Cc3cccc(OCCCC#N)c3)C[C@H]2CO)cn1	ZINC000377273411	558303549	/nfs/dbraw/zinc/30/35/49/558303549.db2.gz	NREJLDQXDYUZMK-ICSRJNTNSA-N	1	1	354.454	2.311	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1	ZINC000377669785	558391680	/nfs/dbraw/zinc/39/16/80/558391680.db2.gz	ORUWWVZJSLJSDE-HSALFYBXSA-N	1	1	367.497	2.033	20	30		FEEDMO
C#CCOc1ccc(C[N@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)cc1	ZINC000378351821	558536710	/nfs/dbraw/zinc/53/67/10/558536710.db2.gz	UGGWNYNNGQMPQD-UHFFFAOYSA-N	1	1	369.509	2.217	20	30		FEEDMO
COc1ccc(N2CCC([N@@H+](C)CCC(=O)N(C)CCC#N)CC2)cc1	ZINC000378417003	558552199	/nfs/dbraw/zinc/55/21/99/558552199.db2.gz	USRJXLIFLRCZHI-UHFFFAOYSA-N	1	1	358.486	2.358	20	30		FEEDMO
CN1CCN(c2cc(C[NH2+][C@@H]3CCC[C@@H]4O[C@H](CC#N)C[C@@H]43)ccn2)CC1	ZINC000378466227	558564375	/nfs/dbraw/zinc/56/43/75/558564375.db2.gz	ZQUWVVFZAGUKQB-WTGUMLROSA-N	1	1	369.513	2.163	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000378553967	558581644	/nfs/dbraw/zinc/58/16/44/558581644.db2.gz	WZOWKTQBNPDSIH-HOCLYGCPSA-N	1	1	373.501	2.409	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000378553967	558581648	/nfs/dbraw/zinc/58/16/48/558581648.db2.gz	WZOWKTQBNPDSIH-HOCLYGCPSA-N	1	1	373.501	2.409	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCCC[C@H]1Cn1ccnn1)c1ccccc1	ZINC000378623838	558596058	/nfs/dbraw/zinc/59/60/58/558596058.db2.gz	MCSDUMRZZXTWIO-SFHVURJKSA-N	1	1	352.442	2.079	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCCC[C@H]1Cn1ccnn1)c1ccccc1	ZINC000378623838	558596060	/nfs/dbraw/zinc/59/60/60/558596060.db2.gz	MCSDUMRZZXTWIO-SFHVURJKSA-N	1	1	352.442	2.079	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)C2)n1	ZINC000408283604	558663859	/nfs/dbraw/zinc/66/38/59/558663859.db2.gz	MNIDUTJTCRWLHS-RBUKOAKNSA-N	1	1	369.513	2.277	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1	ZINC000409479242	558695628	/nfs/dbraw/zinc/69/56/28/558695628.db2.gz	PTZZITIQJHBRHD-HOTGVXAUSA-N	1	1	370.906	2.155	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1	ZINC000409479242	558695629	/nfs/dbraw/zinc/69/56/29/558695629.db2.gz	PTZZITIQJHBRHD-HOTGVXAUSA-N	1	1	370.906	2.155	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000409595606	558706618	/nfs/dbraw/zinc/70/66/18/558706618.db2.gz	QUPKGEVOHIJDHP-OAHLLOKOSA-N	1	1	370.544	2.030	20	30		FEEDMO
N#Cc1cccc(NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000524976939	562238956	/nfs/dbraw/zinc/23/89/56/562238956.db2.gz	IVZIFSBEOOCBEC-FQEVSTJZSA-N	1	1	350.422	2.317	20	30		FEEDMO
CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C#N)c(C)n3)cc2F)CC1	ZINC000411056022	558836058	/nfs/dbraw/zinc/83/60/58/558836058.db2.gz	XYFZRVIOMQSHRG-UHFFFAOYSA-N	1	1	367.428	2.795	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O	ZINC000411646887	558935392	/nfs/dbraw/zinc/93/53/92/558935392.db2.gz	WOOOYNPDGGYZNQ-IBGZPJMESA-N	1	1	361.486	2.249	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1	ZINC000411680561	558942558	/nfs/dbraw/zinc/94/25/58/558942558.db2.gz	XOOZSRBHNFKVRC-MRXNPFEDSA-N	1	1	359.470	2.428	20	30		FEEDMO
CN(C)c1noc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)n1	ZINC000411692635	558945342	/nfs/dbraw/zinc/94/53/42/558945342.db2.gz	POPVKQOCZGIZOW-OAHLLOKOSA-N	1	1	368.441	2.215	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(C(=O)Nc3cccc(F)c3)CC2)CCC1	ZINC000525886631	562258642	/nfs/dbraw/zinc/25/86/42/562258642.db2.gz	IZWGHJNNQSTMEA-UHFFFAOYSA-N	1	1	358.417	2.039	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CCC1	ZINC000525893816	562258841	/nfs/dbraw/zinc/25/88/41/562258841.db2.gz	BXDCXFYDOUAHLD-GFCCVEGCSA-N	1	1	355.364	2.101	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CCC1	ZINC000525893816	562258842	/nfs/dbraw/zinc/25/88/42/562258842.db2.gz	BXDCXFYDOUAHLD-GFCCVEGCSA-N	1	1	355.364	2.101	20	30		FEEDMO
COC(=O)[C@H]1CSCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000412086044	559011451	/nfs/dbraw/zinc/01/14/51/559011451.db2.gz	UXRNTQIIQFNCOD-QGZVFWFLSA-N	1	1	370.478	2.297	20	30		FEEDMO
CC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000413263698	559093305	/nfs/dbraw/zinc/09/33/05/559093305.db2.gz	MSQHBGOWZWZDBG-HZPDHXFCSA-N	1	1	359.449	2.060	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H](O)COc2cc(Br)ccc2C#N)C[C@@H](C)O1	ZINC000414132584	559150301	/nfs/dbraw/zinc/15/03/01/559150301.db2.gz	ATDUDEHTGKSONB-LALPHHSUSA-N	1	1	369.259	2.170	20	30		FEEDMO
Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)s1	ZINC000527048402	562274566	/nfs/dbraw/zinc/27/45/66/562274566.db2.gz	HWXAWNFTJKVPMY-CQSZACIVSA-N	1	1	374.510	2.202	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1C#N	ZINC000527076426	562275749	/nfs/dbraw/zinc/27/57/49/562275749.db2.gz	BVHNVDNOPFRRAW-UHFFFAOYSA-N	1	1	356.470	2.384	20	30		FEEDMO
C=CCOc1cccc(NC(=O)N2CC[NH+](C(COC)COC)CC2)c1	ZINC000416785367	559332697	/nfs/dbraw/zinc/33/26/97/559332697.db2.gz	WZZCQBUXRXVTHV-UHFFFAOYSA-N	1	1	363.458	2.062	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1C#N	ZINC000416931501	559338944	/nfs/dbraw/zinc/33/89/44/559338944.db2.gz	LQNYWBBAMJWZRY-HUUCEWRRSA-N	1	1	360.458	2.264	20	30		FEEDMO
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000417174088	559351305	/nfs/dbraw/zinc/35/13/05/559351305.db2.gz	IDCGPVZRCDDXDO-QWHCGFSZSA-N	1	1	350.850	2.325	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000417174088	559351306	/nfs/dbraw/zinc/35/13/06/559351306.db2.gz	IDCGPVZRCDDXDO-QWHCGFSZSA-N	1	1	350.850	2.325	20	30		FEEDMO
C=CCC[C@@H]1NC(=O)N([C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)C1=O	ZINC000419948648	559465916	/nfs/dbraw/zinc/46/59/16/559465916.db2.gz	KKTZZBALKYZDKU-YJBOKZPZSA-N	1	1	373.453	2.165	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000420757852	559502631	/nfs/dbraw/zinc/50/26/31/559502631.db2.gz	CAKSGLHQAJIQBX-CYBMUJFWSA-N	1	1	361.389	2.292	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@H](C)C[C@@H](CO)C2)cc1	ZINC000420936138	559512477	/nfs/dbraw/zinc/51/24/77/559512477.db2.gz	KKXKJPJTRALOHB-IAGOWNOFSA-N	1	1	359.470	2.282	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1	ZINC000422409984	559586115	/nfs/dbraw/zinc/58/61/15/559586115.db2.gz	FQYCLGLBEIZLOK-CGTJXYLNSA-N	1	1	355.482	2.031	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1	ZINC000422409991	559586165	/nfs/dbraw/zinc/58/61/65/559586165.db2.gz	FQYCLGLBEIZLOK-KBAYOESNSA-N	1	1	355.482	2.031	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000422432130	559587951	/nfs/dbraw/zinc/58/79/51/559587951.db2.gz	MDFJLWBSPNHTAM-ICSRJNTNSA-N	1	1	369.509	2.423	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1	ZINC000422543886	559594099	/nfs/dbraw/zinc/59/40/99/559594099.db2.gz	PSAKUQYWARZEPR-OALUTQOASA-N	1	1	357.498	2.090	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1	ZINC000527300032	562284249	/nfs/dbraw/zinc/28/42/49/562284249.db2.gz	ZSJPURMLTZLDQO-HZPDHXFCSA-N	1	1	354.454	2.288	20	30		FEEDMO
C=CCn1cc(CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)nn1	ZINC000424920652	559680042	/nfs/dbraw/zinc/68/00/42/559680042.db2.gz	CLJHPNSSPRIBCM-HZPDHXFCSA-N	1	1	369.469	2.003	20	30		FEEDMO
C=CC[N@@H+](Cc1cnc(N(C)C)n1C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000425342299	559697584	/nfs/dbraw/zinc/69/75/84/559697584.db2.gz	YXLMCHSUXHGJIY-OAHLLOKOSA-N	1	1	366.473	2.211	20	30		FEEDMO
COC(=O)c1cccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1	ZINC000425532713	559708232	/nfs/dbraw/zinc/70/82/32/559708232.db2.gz	JURZWMFKNFYIQT-CYBMUJFWSA-N	1	1	352.394	2.371	20	30		FEEDMO
COC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1	ZINC000425532713	559708233	/nfs/dbraw/zinc/70/82/33/559708233.db2.gz	JURZWMFKNFYIQT-CYBMUJFWSA-N	1	1	352.394	2.371	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1	ZINC000425883588	559723850	/nfs/dbraw/zinc/72/38/50/559723850.db2.gz	MRCMABLJPUQGRW-BRWVUGGUSA-N	1	1	370.497	2.314	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@]2(C)C(=O)OC)c(OC)c1	ZINC000426804042	559742236	/nfs/dbraw/zinc/74/22/36/559742236.db2.gz	RKJZDWXPBPMSAD-UZLBHIALSA-N	1	1	363.454	2.191	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@]2(C)C(=O)OC)c(OC)c1	ZINC000426804042	559742237	/nfs/dbraw/zinc/74/22/37/559742237.db2.gz	RKJZDWXPBPMSAD-UZLBHIALSA-N	1	1	363.454	2.191	20	30		FEEDMO
C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000427696448	559760516	/nfs/dbraw/zinc/76/05/16/559760516.db2.gz	JRQYFXLFXOZDFH-LJQANCHMSA-N	1	1	371.481	2.067	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H](C#N)CCc2ccccc2)CC1	ZINC000433358542	559878514	/nfs/dbraw/zinc/87/85/14/559878514.db2.gz	BUTBCZNDGPFUQS-UYAOXDASSA-N	1	1	356.514	2.149	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C1	ZINC000435436740	559922971	/nfs/dbraw/zinc/92/29/71/559922971.db2.gz	GTLMDWDEFXBEOC-DZGCQCFKSA-N	1	1	371.528	2.035	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440491304	560012292	/nfs/dbraw/zinc/01/22/92/560012292.db2.gz	GZFTXGAMUZQUJV-UZLBHIALSA-N	1	1	367.534	2.195	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440491304	560012293	/nfs/dbraw/zinc/01/22/93/560012293.db2.gz	GZFTXGAMUZQUJV-UZLBHIALSA-N	1	1	367.534	2.195	20	30		FEEDMO
COc1cc(C[NH2+]CC2CCN(CC(=O)NC(C)(C)C)CC2)ccc1C#N	ZINC000440612923	560014971	/nfs/dbraw/zinc/01/49/71/560014971.db2.gz	CRAZGPYYZYVHOB-UHFFFAOYSA-N	1	1	372.513	2.283	20	30		FEEDMO
C[C@@H](C#N)CN(C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)C1CC1	ZINC000441940996	560041261	/nfs/dbraw/zinc/04/12/61/560041261.db2.gz	GDJGBPPMVZYWLW-HNNXBMFYSA-N	1	1	368.481	2.412	20	30		FEEDMO
CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C#N)c(O)c1	ZINC000442937545	560062776	/nfs/dbraw/zinc/06/27/76/560062776.db2.gz	CVXJOGRTFKKZDJ-QGZVFWFLSA-N	1	1	373.453	2.144	20	30		FEEDMO
CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(C#N)c(O)c1	ZINC000442937545	560062777	/nfs/dbraw/zinc/06/27/77/560062777.db2.gz	CVXJOGRTFKKZDJ-QGZVFWFLSA-N	1	1	373.453	2.144	20	30		FEEDMO
COc1ccccc1CN1C(=O)C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1=O	ZINC000448555216	560189992	/nfs/dbraw/zinc/18/99/92/560189992.db2.gz	LJUVINXZIRUGCL-GOSISDBHSA-N	1	1	363.417	2.326	20	30		FEEDMO
COc1ccccc1CN1C(=O)C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1=O	ZINC000448555216	560189993	/nfs/dbraw/zinc/18/99/93/560189993.db2.gz	LJUVINXZIRUGCL-GOSISDBHSA-N	1	1	363.417	2.326	20	30		FEEDMO
CC[N@@H+](CCNC(=O)COc1ccc(C#N)c(Br)c1)C1CC1	ZINC000449841417	560242126	/nfs/dbraw/zinc/24/21/26/560242126.db2.gz	VKKYHIVDRUMPME-UHFFFAOYSA-N	1	1	366.259	2.300	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)[nH]c3C)C2)cc(OC)c1	ZINC000450087588	560250349	/nfs/dbraw/zinc/25/03/49/560250349.db2.gz	GEJBWEYSLHBPNW-HNNXBMFYSA-N	1	1	368.437	2.216	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)[nH]c3C)C2)cc(OC)c1	ZINC000450087588	560250350	/nfs/dbraw/zinc/25/03/50/560250350.db2.gz	GEJBWEYSLHBPNW-HNNXBMFYSA-N	1	1	368.437	2.216	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)n1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000450127838	560251455	/nfs/dbraw/zinc/25/14/55/560251455.db2.gz	GFTYFPYFPNJCLI-AZUAARDMSA-N	1	1	366.465	2.306	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)n1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000450127838	560251456	/nfs/dbraw/zinc/25/14/56/560251456.db2.gz	GFTYFPYFPNJCLI-AZUAARDMSA-N	1	1	366.465	2.306	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ncc(C#N)cc1[N+](=O)[O-]	ZINC000450454082	560262730	/nfs/dbraw/zinc/26/27/30/560262730.db2.gz	NMXGUEAKRYAKLK-WMLDXEAASA-N	1	1	369.429	2.114	20	30		FEEDMO
COc1cc(OC)c2ncc(C#N)c(N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)c2c1	ZINC000450798356	560273674	/nfs/dbraw/zinc/27/36/74/560273674.db2.gz	UXCUXNFFYPABBN-OKILXGFUSA-N	1	1	370.453	2.015	20	30		FEEDMO
C[C@](CO)([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(O)c1	ZINC000451040029	560284206	/nfs/dbraw/zinc/28/42/06/560284206.db2.gz	QSKWXBBMUDOLLT-HXUWFJFHSA-N	1	1	353.422	2.136	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000451163745	560290800	/nfs/dbraw/zinc/29/08/00/560290800.db2.gz	AMGCLGBQOMCHRO-OAHLLOKOSA-N	1	1	374.485	2.165	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000451163745	560290801	/nfs/dbraw/zinc/29/08/01/560290801.db2.gz	AMGCLGBQOMCHRO-OAHLLOKOSA-N	1	1	374.485	2.165	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C1	ZINC000451290560	560298417	/nfs/dbraw/zinc/29/84/17/560298417.db2.gz	ZJCCHPDVVSLBOK-CQSZACIVSA-N	1	1	355.891	2.368	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccc(F)cc3C#N)C2)CC1	ZINC000451530161	560312410	/nfs/dbraw/zinc/31/24/10/560312410.db2.gz	HMABASVGFRYASO-GOSISDBHSA-N	1	1	372.488	2.464	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)c1ccccc1	ZINC000451881631	560334190	/nfs/dbraw/zinc/33/41/90/560334190.db2.gz	BDZJBQOVKZVSBJ-CZUORRHYSA-N	1	1	355.360	2.178	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)c1ccccc1	ZINC000451881631	560334191	/nfs/dbraw/zinc/33/41/91/560334191.db2.gz	BDZJBQOVKZVSBJ-CZUORRHYSA-N	1	1	355.360	2.178	20	30		FEEDMO
COC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1ccccc1	ZINC000451999252	560344072	/nfs/dbraw/zinc/34/40/72/560344072.db2.gz	CJWKGXYMLAITAV-OALUTQOASA-N	1	1	363.417	2.385	20	30		FEEDMO
COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1ccccc1	ZINC000451999252	560344073	/nfs/dbraw/zinc/34/40/73/560344073.db2.gz	CJWKGXYMLAITAV-OALUTQOASA-N	1	1	363.417	2.385	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1	ZINC000453465615	560387368	/nfs/dbraw/zinc/38/73/68/560387368.db2.gz	NJEAQPJDXXCNNG-SJORKVTESA-N	1	1	363.506	2.253	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1	ZINC000453599162	560390453	/nfs/dbraw/zinc/39/04/53/560390453.db2.gz	BXFPXHDUTHNRBQ-MRXNPFEDSA-N	1	1	372.469	2.275	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@H+]1C	ZINC000453666043	560394886	/nfs/dbraw/zinc/39/48/86/560394886.db2.gz	WBQBKQTZPVOVHB-CJNGLKHVSA-N	1	1	372.469	2.273	20	30		FEEDMO
C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+]1C	ZINC000453713408	560399016	/nfs/dbraw/zinc/39/90/16/560399016.db2.gz	IFBARBBEZMUTEX-GXTWGEPZSA-N	1	1	362.861	2.286	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453771418	560403120	/nfs/dbraw/zinc/40/31/20/560403120.db2.gz	UODIGZFYDJGTMI-ZIAGYGMSSA-N	1	1	372.469	2.225	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453771418	560403121	/nfs/dbraw/zinc/40/31/21/560403121.db2.gz	UODIGZFYDJGTMI-ZIAGYGMSSA-N	1	1	372.469	2.225	20	30		FEEDMO
COCCN(CC#N)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2	ZINC000457204743	560555760	/nfs/dbraw/zinc/55/57/60/560555760.db2.gz	PPCXOUHEACSJJQ-UHFFFAOYSA-N	1	1	368.481	2.406	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000457504698	560571137	/nfs/dbraw/zinc/57/11/37/560571137.db2.gz	MUWOHZAKEGAQOH-IYWMVGAKSA-N	1	1	363.546	2.375	20	30		FEEDMO
Cc1[nH+]ccn1CC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000457768064	560586719	/nfs/dbraw/zinc/58/67/19/560586719.db2.gz	CCKDWHAUBHETRQ-KRWDZBQOSA-N	1	1	357.845	2.254	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1	ZINC000457970336	560597120	/nfs/dbraw/zinc/59/71/20/560597120.db2.gz	ADHWJQUVMRRVPT-APWZRJJASA-N	1	1	361.486	2.034	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1	ZINC000457970336	560597121	/nfs/dbraw/zinc/59/71/21/560597121.db2.gz	ADHWJQUVMRRVPT-APWZRJJASA-N	1	1	361.486	2.034	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1	ZINC000457970339	560597159	/nfs/dbraw/zinc/59/71/59/560597159.db2.gz	ADHWJQUVMRRVPT-VQIMIIECSA-N	1	1	361.486	2.034	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1	ZINC000457970339	560597160	/nfs/dbraw/zinc/59/71/60/560597160.db2.gz	ADHWJQUVMRRVPT-VQIMIIECSA-N	1	1	361.486	2.034	20	30		FEEDMO
C=C[C@H](CC(=O)NCC1([NH+]2CCOCC2)CCOCC1)c1ccccc1	ZINC000457977281	560597617	/nfs/dbraw/zinc/59/76/17/560597617.db2.gz	IJJIIOUJHNGWMK-GOSISDBHSA-N	1	1	358.482	2.344	20	30		FEEDMO
COC(=O)c1cccc2c1CC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2	ZINC000459544420	560693422	/nfs/dbraw/zinc/69/34/22/560693422.db2.gz	ZGPRUCGNBOJEOK-QGZVFWFLSA-N	1	1	366.417	2.143	20	30		FEEDMO
COC(=O)c1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2	ZINC000459544420	560693423	/nfs/dbraw/zinc/69/34/23/560693423.db2.gz	ZGPRUCGNBOJEOK-QGZVFWFLSA-N	1	1	366.417	2.143	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000459585142	560696166	/nfs/dbraw/zinc/69/61/66/560696166.db2.gz	OUGWQIQOQJXVAU-JXFKEZNVSA-N	1	1	360.454	2.352	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)C2CCN(OC)CC2)c(OC)c1	ZINC000459593429	560696637	/nfs/dbraw/zinc/69/66/37/560696637.db2.gz	WSZPOXWYQSIREA-SFHVURJKSA-N	1	1	364.486	2.121	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H](C)Cc2cccc(F)c2)CC1	ZINC000459761094	560706661	/nfs/dbraw/zinc/70/66/61/560706661.db2.gz	KQTACNYDTZRNOU-XLIONFOSSA-N	1	1	374.504	2.381	20	30		FEEDMO
CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000460053999	560731836	/nfs/dbraw/zinc/73/18/36/560731836.db2.gz	MXAUTOMCQABTHN-LMMKCTJWSA-N	1	1	370.497	2.288	20	30		FEEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[NH+]([C@H](C)CC)CC1	ZINC000460074502	560733427	/nfs/dbraw/zinc/73/34/27/560733427.db2.gz	ZTDLEMCHGIESPO-QGZVFWFLSA-N	1	1	368.481	2.016	20	30		FEEDMO
C=C(C)Cn1c(CC2CC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000460387968	560743008	/nfs/dbraw/zinc/74/30/08/560743008.db2.gz	NFNHYOXFYLMZIE-MRXNPFEDSA-N	1	1	359.518	2.496	20	30		FEEDMO
N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1	ZINC000461482732	560773615	/nfs/dbraw/zinc/77/36/15/560773615.db2.gz	SBFWOPNIZREIHS-RBUKOAKNSA-N	1	1	372.488	2.389	20	30		FEEDMO
C[C@H](CNC(=O)N[C@H]1CCC[C@H]1C#N)[NH+]1CCN(c2ccccc2)CC1	ZINC000461963618	560789849	/nfs/dbraw/zinc/78/98/49/560789849.db2.gz	ZPDNDNKJQAPWFG-AOIWGVFYSA-N	1	1	355.486	2.189	20	30		FEEDMO
CC(C)[N@H+]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1	ZINC000462095643	560796783	/nfs/dbraw/zinc/79/67/83/560796783.db2.gz	WLZDYNHZINFSSF-UHFFFAOYSA-N	1	1	353.430	2.087	20	30		FEEDMO
CC(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000464501566	560843532	/nfs/dbraw/zinc/84/35/32/560843532.db2.gz	ZVEIWEIJCXRLCE-GOSISDBHSA-N	1	1	357.454	2.228	20	30		FEEDMO
CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000464501566	560843533	/nfs/dbraw/zinc/84/35/33/560843533.db2.gz	ZVEIWEIJCXRLCE-GOSISDBHSA-N	1	1	357.454	2.228	20	30		FEEDMO
N#CCc1ccc(CN2C(=O)N[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1	ZINC000466355732	560884932	/nfs/dbraw/zinc/88/49/32/560884932.db2.gz	JYOYCLVFQIENSL-JOCHJYFZSA-N	1	1	374.444	2.449	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000468472062	560930888	/nfs/dbraw/zinc/93/08/88/560930888.db2.gz	ZQAABUUNAGMECK-LIRRHRJNSA-N	1	1	351.491	2.485	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1	ZINC000469132239	560947964	/nfs/dbraw/zinc/94/79/64/560947964.db2.gz	WCIQAAKVXGCQPJ-GOSISDBHSA-N	1	1	356.470	2.402	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)[C@H]1C	ZINC000469999836	560971255	/nfs/dbraw/zinc/97/12/55/560971255.db2.gz	ODWWZLGPGDMKDB-ARFHVFGLSA-N	1	1	373.453	2.214	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)[C@H]1C	ZINC000469999836	560971256	/nfs/dbraw/zinc/97/12/56/560971256.db2.gz	ODWWZLGPGDMKDB-ARFHVFGLSA-N	1	1	373.453	2.214	20	30		FEEDMO
C=CCOCCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1	ZINC000470720019	560988126	/nfs/dbraw/zinc/98/81/26/560988126.db2.gz	OBYRQKIQFMQRCR-UHFFFAOYSA-N	1	1	352.862	2.456	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCN(C)C[C@@H]2C(C)C)c(OC)c1	ZINC000471211256	561000588	/nfs/dbraw/zinc/00/05/88/561000588.db2.gz	ILBPLRQUQQWPMM-RTBURBONSA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN2CC[N@H+](C)C[C@@H]2C(C)C)c(OC)c1	ZINC000471211256	561000589	/nfs/dbraw/zinc/00/05/89/561000589.db2.gz	ILBPLRQUQQWPMM-RTBURBONSA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN2CC[N@@H+](C)C[C@@H]2C(C)C)c(OC)c1	ZINC000471211256	561000590	/nfs/dbraw/zinc/00/05/90/561000590.db2.gz	ILBPLRQUQQWPMM-RTBURBONSA-N	1	1	362.514	2.435	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000471906547	561014111	/nfs/dbraw/zinc/01/41/11/561014111.db2.gz	QNDPVDIODMCTBO-IBGZPJMESA-N	1	1	372.513	2.362	20	30		FEEDMO
C=C(C)COCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000474798586	561083141	/nfs/dbraw/zinc/08/31/41/561083141.db2.gz	YQJDUZSDVBACCL-UHFFFAOYSA-N	1	1	356.470	2.368	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)cc1	ZINC000475679218	561102155	/nfs/dbraw/zinc/10/21/55/561102155.db2.gz	LEVLMZFUAWOFPR-UNMCSNQZSA-N	1	1	366.461	2.368	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@H]1CC(=O)OC	ZINC000476572430	561122970	/nfs/dbraw/zinc/12/29/70/561122970.db2.gz	QFCCBZZFPCLOQQ-SJORKVTESA-N	1	1	365.495	2.135	20	30		FEEDMO
CC(=O)Nc1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)C2	ZINC000528355821	562324543	/nfs/dbraw/zinc/32/45/43/562324543.db2.gz	WJLMDIXUNRWDEZ-GOSISDBHSA-N	1	1	365.433	2.315	20	30		FEEDMO
N#CC1(C[C@H](O)C[NH+]2CCN(C(=O)Cc3cccc(Cl)c3)CC2)CC1	ZINC000528388578	562326414	/nfs/dbraw/zinc/32/64/14/562326414.db2.gz	JMHRRZJSCVUBDX-KRWDZBQOSA-N	1	1	361.873	2.081	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C	ZINC000528399345	562326806	/nfs/dbraw/zinc/32/68/06/562326806.db2.gz	VVWVPUYUAXVJRG-IAGOWNOFSA-N	1	1	353.466	2.091	20	30		FEEDMO
C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cccnc1C#N	ZINC000528529175	562334161	/nfs/dbraw/zinc/33/41/61/562334161.db2.gz	GWVXGMOPCWXANE-MAUKXSAKSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cccnc1C#N	ZINC000528529175	562334162	/nfs/dbraw/zinc/33/41/62/562334162.db2.gz	GWVXGMOPCWXANE-MAUKXSAKSA-N	1	1	370.478	2.142	20	30		FEEDMO
Cc1c[nH+]cn1CC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000529224196	562365534	/nfs/dbraw/zinc/36/55/34/562365534.db2.gz	XJJHDHOQBQTZTN-QGZVFWFLSA-N	1	1	357.845	2.254	20	30		FEEDMO
Cc1c[nH+]cn1CC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000529224194	562365587	/nfs/dbraw/zinc/36/55/87/562365587.db2.gz	XJJHDHOQBQTZTN-KRWDZBQOSA-N	1	1	357.845	2.254	20	30		FEEDMO
COCCC1CC[NH+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1	ZINC000530093949	562398044	/nfs/dbraw/zinc/39/80/44/562398044.db2.gz	GUIHAQZPCJAKSL-HXUWFJFHSA-N	1	1	370.453	2.031	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000532067625	562465795	/nfs/dbraw/zinc/46/57/95/562465795.db2.gz	QMKBURSUUXXMNR-KSSFIOAISA-N	1	1	371.460	2.012	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1	ZINC000533471296	562510170	/nfs/dbraw/zinc/51/01/70/562510170.db2.gz	PEJIWYDRCXSZIK-CYBMUJFWSA-N	1	1	358.467	2.488	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1	ZINC000533471296	562510171	/nfs/dbraw/zinc/51/01/71/562510171.db2.gz	PEJIWYDRCXSZIK-CYBMUJFWSA-N	1	1	358.467	2.488	20	30		FEEDMO
N#Cc1cccc(-c2csc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)n2)c1	ZINC000535728905	562565726	/nfs/dbraw/zinc/56/57/26/562565726.db2.gz	CTJHIFFMJYYUNJ-INIZCTEOSA-N	1	1	353.451	2.010	20	30		FEEDMO
COC(=O)c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1C#N	ZINC000536542464	562578300	/nfs/dbraw/zinc/57/83/00/562578300.db2.gz	NUVMAKSLWVNLIR-BEFAXECRSA-N	1	1	367.449	2.320	20	30		FEEDMO
COC(=O)c1cccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1C#N	ZINC000536542464	562578301	/nfs/dbraw/zinc/57/83/01/562578301.db2.gz	NUVMAKSLWVNLIR-BEFAXECRSA-N	1	1	367.449	2.320	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000540884791	562595766	/nfs/dbraw/zinc/59/57/66/562595766.db2.gz	XXPURYCKAOSHPR-KRWDZBQOSA-N	1	1	360.889	2.454	20	30		FEEDMO
CC(C)[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nnc2ccccn21	ZINC000540918038	562596899	/nfs/dbraw/zinc/59/68/99/562596899.db2.gz	SJIQHLWBCBXDPK-QGZVFWFLSA-N	1	1	354.458	2.359	20	30		FEEDMO
CCOc1ccc(-c2cn(C3C[NH+](C[C@@H](O)CC4(C#N)CC4)C3)nn2)cc1	ZINC000601958587	567886305	/nfs/dbraw/zinc/88/63/05/567886305.db2.gz	NRNFTOYMJZOWNP-KRWDZBQOSA-N	1	1	367.453	2.255	20	30		FEEDMO
CN(CCC#N)C[C@H](O)C[NH+]1CC(Cc2ccccc2Br)C1	ZINC000601966330	567889230	/nfs/dbraw/zinc/88/92/30/567889230.db2.gz	ZUFCTFVOOUQDNK-INIZCTEOSA-N	1	1	366.303	2.130	20	30		FEEDMO
N#CCC1(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CC1	ZINC000602149909	567937361	/nfs/dbraw/zinc/93/73/61/567937361.db2.gz	XWFYSQZVIBHKOL-NQIIRXRSSA-N	1	1	353.466	2.335	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)N1CC#N	ZINC000602864384	568007871	/nfs/dbraw/zinc/00/78/71/568007871.db2.gz	QKKRCWGSQBXRFQ-OKILXGFUSA-N	1	1	359.861	2.458	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1	ZINC000602924407	568018232	/nfs/dbraw/zinc/01/82/32/568018232.db2.gz	HYFHNBVHBGDMLY-IUODEOHRSA-N	1	1	357.376	2.337	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000603554263	568116425	/nfs/dbraw/zinc/11/64/25/568116425.db2.gz	VURYPQFCVDUMFF-QVKFZJNVSA-N	1	1	370.497	2.454	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000603554263	568116426	/nfs/dbraw/zinc/11/64/26/568116426.db2.gz	VURYPQFCVDUMFF-QVKFZJNVSA-N	1	1	370.497	2.454	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C[C@@H]1CN(CC)c2ccccc2O1	ZINC000603856248	568168188	/nfs/dbraw/zinc/16/81/88/568168188.db2.gz	GOLULYQRGZHREL-IAGOWNOFSA-N	1	1	358.486	2.214	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C[C@@H]1CN(CC)c2ccccc2O1	ZINC000603856248	568168189	/nfs/dbraw/zinc/16/81/89/568168189.db2.gz	GOLULYQRGZHREL-IAGOWNOFSA-N	1	1	358.486	2.214	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C[C@H]1CN(CC)c2ccccc2O1	ZINC000603856249	568168195	/nfs/dbraw/zinc/16/81/95/568168195.db2.gz	GOLULYQRGZHREL-SJORKVTESA-N	1	1	358.486	2.214	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C[C@H]1CN(CC)c2ccccc2O1	ZINC000603856249	568168196	/nfs/dbraw/zinc/16/81/96/568168196.db2.gz	GOLULYQRGZHREL-SJORKVTESA-N	1	1	358.486	2.214	20	30		FEEDMO
N#Cc1csc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1	ZINC000568936784	568253908	/nfs/dbraw/zinc/25/39/08/568253908.db2.gz	XNBIRIATJIBNRR-LLVKDONJSA-N	1	1	368.509	2.019	20	30		FEEDMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN([C@H](C#N)C(C)C)CC1	ZINC000609485460	568346031	/nfs/dbraw/zinc/34/60/31/568346031.db2.gz	QPYLMZMKGHSXAF-GOSISDBHSA-N	1	1	373.457	2.398	20	30		FEEDMO
CC[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1nnc2n1CCCCC2	ZINC000569686012	568411769	/nfs/dbraw/zinc/41/17/69/568411769.db2.gz	CZMIEVXGOHAFJD-FUHWJXTLSA-N	1	1	369.469	2.357	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000637185246	568534731	/nfs/dbraw/zinc/53/47/31/568534731.db2.gz	GTNCMXRALMOLOK-IEBWSBKVSA-N	1	1	357.498	2.295	20	30		FEEDMO
N#Cc1cc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)ccn1	ZINC000826383491	607495876	/nfs/dbraw/zinc/49/58/76/607495876.db2.gz	CXDUATIHSZCSOL-UHFFFAOYSA-N	1	1	361.409	2.177	20	30		FEEDMO
C[NH+](C)Cc1cnc(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)s1	ZINC000809537790	674496214	/nfs/dbraw/zinc/49/62/14/674496214.db2.gz	RSOUGOSQQHPOCU-QGZVFWFLSA-N	1	1	355.511	2.415	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCC(=O)Nc2sccc2C#N)C1	ZINC000811449747	674604843	/nfs/dbraw/zinc/60/48/43/674604843.db2.gz	UVNXPBYYBWKCGP-INIZCTEOSA-N	1	1	353.419	2.314	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC#N)c1ccc2c(c1)OCCO2)[C@H]1CCSC1	ZINC000563323802	674872423	/nfs/dbraw/zinc/87/24/23/674872423.db2.gz	QFNFUQULUYSEQI-HNNXBMFYSA-N	1	1	361.467	2.142	20	30		FEEDMO
Cc1cc(Cl)cc(C=NNC(=S)NCCC[NH+]2CCOCC2)c1	ZINC000814728061	674876952	/nfs/dbraw/zinc/87/69/52/674876952.db2.gz	KGSWJVGIHBRQKO-UHFFFAOYSA-N	1	1	354.907	2.169	20	30		FEEDMO
C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000815530184	674957561	/nfs/dbraw/zinc/95/75/61/674957561.db2.gz	BATDMCVPIMCNOD-LBPRGKRZSA-N	1	1	362.499	2.456	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(SC(F)F)cc1	ZINC000815860447	674978883	/nfs/dbraw/zinc/97/88/83/674978883.db2.gz	LRSOQFDGXCRRFA-UHFFFAOYSA-N	1	1	355.410	2.011	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2C1	ZINC001049111761	675023385	/nfs/dbraw/zinc/02/33/85/675023385.db2.gz	ZAUCSGZOVMRKQW-YVSFHVDLSA-N	1	1	354.441	2.403	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)N1CCC(CCC#N)CC1)[NH+]1CCOCC1	ZINC000570205823	670677733	/nfs/dbraw/zinc/67/77/33/670677733.db2.gz	MNUQMRPUECIAHG-GOSISDBHSA-N	1	1	350.507	2.459	20	30		FEEDMO
C[N@H+](CCn1cc(Br)cn1)CC(=O)Nc1ccc(C#N)cc1	ZINC000577243687	671426601	/nfs/dbraw/zinc/42/66/01/671426601.db2.gz	MFRJXWKWZOHDOE-UHFFFAOYSA-N	1	1	362.231	2.088	20	30		FEEDMO
C[N@@H+](CCn1cc(Br)cn1)CC(=O)Nc1ccc(C#N)cc1	ZINC000577243687	671426602	/nfs/dbraw/zinc/42/66/02/671426602.db2.gz	MFRJXWKWZOHDOE-UHFFFAOYSA-N	1	1	362.231	2.088	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000577822784	671622033	/nfs/dbraw/zinc/62/20/33/671622033.db2.gz	RFARMVUVDGRXKB-LBPRGKRZSA-N	1	1	366.259	2.158	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCNC(=O)COc2cccc(Br)c2C#N)C1	ZINC000579435312	671734931	/nfs/dbraw/zinc/73/49/31/671734931.db2.gz	VWQALULTQMDHQV-LBPRGKRZSA-N	1	1	366.259	2.158	20	30		FEEDMO
C[C@H]1SCC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)[C@H]1C	ZINC000118382243	671885866	/nfs/dbraw/zinc/88/58/66/671885866.db2.gz	ATRVZGTYVRGDJY-UONOGXRCSA-N	1	1	358.467	2.106	20	30		FEEDMO
C[C@H]1SCC[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)[C@H]1C	ZINC000118382243	671885871	/nfs/dbraw/zinc/88/58/71/671885871.db2.gz	ATRVZGTYVRGDJY-UONOGXRCSA-N	1	1	358.467	2.106	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C1	ZINC000610267898	675963536	/nfs/dbraw/zinc/96/35/36/675963536.db2.gz	PFYBDARIHFMQGK-GOSISDBHSA-N	1	1	355.463	2.453	20	30		FEEDMO
CCN(C(=O)CO[NH+]=C(N)C1CCOCC1)[C@@H](C)c1ccc(F)cc1	ZINC000151617699	672166277	/nfs/dbraw/zinc/16/62/77/672166277.db2.gz	DPDCWDFOPVUHOM-ZDUSSCGKSA-N	1	1	351.422	2.451	20	30		FEEDMO
CC[NH+]=C(NCC1(N(C)C)CCOCC1)N1CCS[C@H](C(C)C)C1	ZINC000153773240	672204582	/nfs/dbraw/zinc/20/45/82/672204582.db2.gz	UDLGTWWVVHBACL-INIZCTEOSA-N	1	1	356.580	2.136	20	30		FEEDMO
C#CC[N@@H+](CC(=O)N(CC)CC(=O)NCc1cccs1)C1CCCC1	ZINC000155912782	672240166	/nfs/dbraw/zinc/24/01/66/672240166.db2.gz	HQQVZLYPSREEES-UHFFFAOYSA-N	1	1	361.511	2.091	20	30		FEEDMO
C#CC[N@H+](CC(=O)N(CC)CC(=O)NCc1cccs1)C1CCCC1	ZINC000155912782	672240168	/nfs/dbraw/zinc/24/01/68/672240168.db2.gz	HQQVZLYPSREEES-UHFFFAOYSA-N	1	1	361.511	2.091	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCOc1ccc(Br)cc1	ZINC000159638962	672284045	/nfs/dbraw/zinc/28/40/45/672284045.db2.gz	LXNCNPPPNHBAHQ-CYBMUJFWSA-N	1	1	353.260	2.288	20	30		FEEDMO
C[C@@H](NC(=O)c1ncc(C#N)cc1Cl)C1([NH+]2CCOCC2)CCCC1	ZINC000610908334	676004989	/nfs/dbraw/zinc/00/49/89/676004989.db2.gz	IGEIQJGDAVNVFM-CYBMUJFWSA-N	1	1	362.861	2.370	20	30		FEEDMO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCCOc2cccc(C#N)c2)C1	ZINC000592186174	672768967	/nfs/dbraw/zinc/76/89/67/672768967.db2.gz	TYBRFSZWISASFT-MRXNPFEDSA-N	1	1	355.360	2.328	20	30		FEEDMO
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000262005146	672907571	/nfs/dbraw/zinc/90/75/71/672907571.db2.gz	VJYZEACOPUVVNT-BLLLJJGKSA-N	1	1	360.893	2.135	20	30		FEEDMO
CC[N@@H+](CCCNS(=O)(=O)c1cccnc1C#N)C1CCCCC1	ZINC000593627528	672962194	/nfs/dbraw/zinc/96/21/94/672962194.db2.gz	VBHAEPWUUYOFJX-UHFFFAOYSA-N	1	1	350.488	2.276	20	30		FEEDMO
CCCCN(C)S(=O)(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000593668610	672974995	/nfs/dbraw/zinc/97/49/95/672974995.db2.gz	OCRWOJLOVSSLRY-UHFFFAOYSA-N	1	1	364.515	2.089	20	30		FEEDMO
CCn1ccnc1[C@H](NC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C)C1CCOCC1	ZINC000329102728	673072348	/nfs/dbraw/zinc/07/23/48/673072348.db2.gz	CZSRNIQKHXIICI-HRCADAONSA-N	1	1	350.463	2.046	20	30		FEEDMO
CCn1ccnc1[C@H](NC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C)C1CCOCC1	ZINC000329102728	673072353	/nfs/dbraw/zinc/07/23/53/673072353.db2.gz	CZSRNIQKHXIICI-HRCADAONSA-N	1	1	350.463	2.046	20	30		FEEDMO
Cc1sc2ncn(CC(=O)NCC[NH+]3CCSCC3)c(=O)c2c1C	ZINC000329419685	673076930	/nfs/dbraw/zinc/07/69/30/673076930.db2.gz	GPSWLRPIRCMCFL-UHFFFAOYSA-N	1	1	366.512	2.080	20	30		FEEDMO
CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](CCCCC#N)C1	ZINC000726602039	673131491	/nfs/dbraw/zinc/13/14/91/673131491.db2.gz	VRVXZDJPPWPAQI-HNNXBMFYSA-N	1	1	352.479	2.033	20	30		FEEDMO
N#CCc1ccc(CS(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1	ZINC000595410483	673245798	/nfs/dbraw/zinc/24/57/98/673245798.db2.gz	MMYVYHSALWFABU-LJQANCHMSA-N	1	1	361.511	2.294	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(COCC(F)(F)F)cc1	ZINC000730096879	673261905	/nfs/dbraw/zinc/26/19/05/673261905.db2.gz	YLRABTXWUACEGP-INIZCTEOSA-N	1	1	354.372	2.479	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(COCC(F)(F)F)cc1	ZINC000730096879	673261911	/nfs/dbraw/zinc/26/19/11/673261911.db2.gz	YLRABTXWUACEGP-INIZCTEOSA-N	1	1	354.372	2.479	20	30		FEEDMO
C#CCOc1ccc(Br)cc1CN[C@H]1CC[N@@H+](CCOC)C1	ZINC000730817533	673292650	/nfs/dbraw/zinc/29/26/50/673292650.db2.gz	QGUMCODZZUHXPL-INIZCTEOSA-N	1	1	367.287	2.271	20	30		FEEDMO
C#CCOc1ccc(Br)cc1CN[C@H]1CC[N@H+](CCOC)C1	ZINC000730817533	673292653	/nfs/dbraw/zinc/29/26/53/673292653.db2.gz	QGUMCODZZUHXPL-INIZCTEOSA-N	1	1	367.287	2.271	20	30		FEEDMO
N#C[C@H](c1cccc(Cl)c1)N1CCN(CC[N@H+]2CCCOCC2)CC1	ZINC000463211479	673300788	/nfs/dbraw/zinc/30/07/88/673300788.db2.gz	FSNLYZMETXUYHP-LJQANCHMSA-N	1	1	362.905	2.245	20	30		FEEDMO
C=CCCSCCNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000596721624	673407198	/nfs/dbraw/zinc/40/71/98/673407198.db2.gz	LVDVVUQYTGYQLS-IBGZPJMESA-N	1	1	363.527	2.232	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccccc3SCC#N)CC2)C1	ZINC000734454316	673464070	/nfs/dbraw/zinc/46/40/70/673464070.db2.gz	WIRPOWHEHRALNK-INIZCTEOSA-N	1	1	358.511	2.154	20	30		FEEDMO
C[N@H+]1CCCC[C@@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000599157545	673637208	/nfs/dbraw/zinc/63/72/08/673637208.db2.gz	XXFYUTGINXILIK-HNNXBMFYSA-N	1	1	361.515	2.183	20	30		FEEDMO
C[C@@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1	ZINC000543585974	673654725	/nfs/dbraw/zinc/65/47/25/673654725.db2.gz	TXWNDMPINRSMLJ-SWLSCSKDSA-N	1	1	354.376	2.022	20	30		FEEDMO
Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH+]1CCC(CC#N)CC1	ZINC000543812041	673672187	/nfs/dbraw/zinc/67/21/87/673672187.db2.gz	ZTHWZDXRNTYGRB-UHFFFAOYSA-N	1	1	362.861	2.329	20	30		FEEDMO
C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000743980354	673777649	/nfs/dbraw/zinc/77/76/49/673777649.db2.gz	LMLBMGDPFYZITK-AWEZNQCLSA-N	1	1	360.483	2.231	20	30		FEEDMO
N#Cc1cnc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c2sccc21	ZINC000601133081	673827931	/nfs/dbraw/zinc/82/79/31/673827931.db2.gz	TVBVFYQFUQRALK-OAHLLOKOSA-N	1	1	355.467	2.086	20	30		FEEDMO
C[NH+]1CCC(N2CC[C@H](Nc3cc(C#N)c(Br)cn3)C2)CC1	ZINC000603294466	673922905	/nfs/dbraw/zinc/92/29/05/673922905.db2.gz	VBYFTXPVPWJHFH-ZDUSSCGKSA-N	1	1	364.291	2.296	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@H](Nc3cc(C#N)c(Br)cn3)C2)CC1	ZINC000603294466	673922899	/nfs/dbraw/zinc/92/28/99/673922899.db2.gz	VBYFTXPVPWJHFH-ZDUSSCGKSA-N	1	1	364.291	2.296	20	30		FEEDMO
N#Cc1cc(N2CCCC[C@@H]2C[NH+]2CCOCC2)ncc1Br	ZINC000603304143	673924001	/nfs/dbraw/zinc/92/40/01/673924001.db2.gz	OORIHFSTWDNLHE-CQSZACIVSA-N	1	1	365.275	2.407	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819031993	675254049	/nfs/dbraw/zinc/25/40/49/675254049.db2.gz	BDKFFFCCJBEHOD-LSDHHAIUSA-N	1	1	352.479	2.174	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819342187	675283302	/nfs/dbraw/zinc/28/33/02/675283302.db2.gz	PCDNUTDCGTYPNG-HUUCEWRRSA-N	1	1	352.479	2.032	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H]1C	ZINC000819429624	675289832	/nfs/dbraw/zinc/28/98/32/675289832.db2.gz	XGLWBVKOESOBSQ-HUUCEWRRSA-N	1	1	352.479	2.126	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc(C(F)(F)Br)nc2)CC1	ZINC000825078122	675635800	/nfs/dbraw/zinc/63/58/00/675635800.db2.gz	UMSYUPYTSBVQRL-UHFFFAOYSA-N	1	1	372.213	2.307	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1	ZINC000603840834	675801286	/nfs/dbraw/zinc/80/12/86/675801286.db2.gz	ZEBCWJBVTPSMQD-ZBFHGGJFSA-N	1	1	358.360	2.341	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000604016919	675802915	/nfs/dbraw/zinc/80/29/15/675802915.db2.gz	IWUZOWXTCGKORC-LBPRGKRZSA-N	1	1	361.389	2.340	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@](F)(CO)C3)sc2C1	ZINC000619815818	676396035	/nfs/dbraw/zinc/39/60/35/676396035.db2.gz	JOBSADBUUQDNDR-KZULUSFZSA-N	1	1	365.474	2.479	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@](F)(CO)C3)sc2C1	ZINC000619815818	676396037	/nfs/dbraw/zinc/39/60/37/676396037.db2.gz	JOBSADBUUQDNDR-KZULUSFZSA-N	1	1	365.474	2.479	20	30		FEEDMO
C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000677479029	679682352	/nfs/dbraw/zinc/68/23/52/679682352.db2.gz	IDZMNRZHMZVZHL-GXTWGEPZSA-N	1	1	368.275	2.432	20	30		FEEDMO
C=C(C)[C@@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(F)c(F)c1	ZINC000651039801	677402641	/nfs/dbraw/zinc/40/26/41/677402641.db2.gz	UOLWRSXZTNISNH-RHSMWYFYSA-N	1	1	351.397	2.042	20	30		FEEDMO
C=C(C)[C@@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccc(F)c(F)c1	ZINC000651039801	677402643	/nfs/dbraw/zinc/40/26/43/677402643.db2.gz	UOLWRSXZTNISNH-RHSMWYFYSA-N	1	1	351.397	2.042	20	30		FEEDMO
C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1	ZINC000661380583	678472413	/nfs/dbraw/zinc/47/24/13/678472413.db2.gz	OJMXEWMKYWLYJC-OAHLLOKOSA-N	1	1	365.499	2.164	20	30		FEEDMO
N#Cc1ccc(NC(=S)NC[C@H]2CCC[N@@H+]2CCCO)cc1Cl	ZINC000840780477	680842414	/nfs/dbraw/zinc/84/24/14/680842414.db2.gz	TXQLZNUVOVVEPG-CQSZACIVSA-N	1	1	352.891	2.345	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(Cl)c(F)c1	ZINC000765553837	680846358	/nfs/dbraw/zinc/84/63/58/680846358.db2.gz	CBYIUELLULTGBS-UHFFFAOYSA-N	1	1	372.897	2.390	20	30		FEEDMO
C=C(Br)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001016829549	680064897	/nfs/dbraw/zinc/06/48/97/680064897.db2.gz	HQCNUUJOXHJHGR-XBFCOCLRSA-N	1	1	357.292	2.291	20	30		FEEDMO
C=C(Br)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001016845488	680065428	/nfs/dbraw/zinc/06/54/28/680065428.db2.gz	PAUPFUCZNTUONZ-KBXIAJHMSA-N	1	1	369.303	2.433	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2csnc2OC)C1	ZINC001019491023	680094424	/nfs/dbraw/zinc/09/44/24/680094424.db2.gz	MAISSEYVBFNBBT-JYJNAYRXSA-N	1	1	365.499	2.214	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OC[C@H]2CCCO2)CC1	ZINC000751492516	680182847	/nfs/dbraw/zinc/18/28/47/680182847.db2.gz	CKPYTOOPIARWTO-SZVBFZGTSA-N	1	1	351.491	2.089	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnc(C)s2)C1	ZINC001022100106	680196350	/nfs/dbraw/zinc/19/63/50/680196350.db2.gz	ZSVJCRPTIGYELE-MQFWEAQZSA-N	1	1	350.488	2.126	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2ccc(Br)c(F)c2)CC1	ZINC000751818206	680201946	/nfs/dbraw/zinc/20/19/46/680201946.db2.gz	GSODEVOHRJOTKB-UHFFFAOYSA-N	1	1	353.235	2.298	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C	ZINC000752084837	680222911	/nfs/dbraw/zinc/22/29/11/680222911.db2.gz	XUVBLHOHWRBEBY-HZPDHXFCSA-N	1	1	351.491	2.422	20	30		FEEDMO
Brc1cc2c(cc1C=NNC1=[NH+][C@@H]3CCCC[C@H]3N1)OCO2	ZINC000753936420	680325280	/nfs/dbraw/zinc/32/52/80/680325280.db2.gz	SIFCUQDLVLBAHU-VXGBXAGGSA-N	1	1	365.231	2.372	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(CC)s2)C(C)(C)C1	ZINC000996330938	680328743	/nfs/dbraw/zinc/32/87/43/680328743.db2.gz	NYEXDIUZMZKVET-RDBSUJKOSA-N	1	1	364.515	2.018	20	30		FEEDMO
C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(C(N)=O)nc1	ZINC000754047575	680333630	/nfs/dbraw/zinc/33/36/30/680333630.db2.gz	MNRPTIJHOXEIKA-UHFFFAOYSA-N	1	1	374.238	2.245	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CCCC3(F)F)C[C@H]21	ZINC001026056802	680340653	/nfs/dbraw/zinc/34/06/53/680340653.db2.gz	CJHVMTSEEZOPFD-FFRIZKCHSA-N	1	1	354.441	2.449	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCOCC1	ZINC001027890750	680362671	/nfs/dbraw/zinc/36/26/71/680362671.db2.gz	HUSQUELZQWLEPR-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC1CCOCC1	ZINC001028146981	680370490	/nfs/dbraw/zinc/37/04/90/680370490.db2.gz	NWQSTBADJMDYKX-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCC[N@H+](Cc2cnns2)CC1	ZINC000998129558	680376949	/nfs/dbraw/zinc/37/69/49/680376949.db2.gz	IXFUGZMHEOYMFR-OIISXLGYSA-N	1	1	364.515	2.332	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CCC[N@@H+](Cc2cnns2)CC1	ZINC000998129558	680376953	/nfs/dbraw/zinc/37/69/53/680376953.db2.gz	IXFUGZMHEOYMFR-OIISXLGYSA-N	1	1	364.515	2.332	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)s1	ZINC001028606137	680379312	/nfs/dbraw/zinc/37/93/12/680379312.db2.gz	MIFXKAIOGPXKGY-DAXOMENPSA-N	1	1	355.467	2.085	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)s1	ZINC001028606137	680379316	/nfs/dbraw/zinc/37/93/16/680379316.db2.gz	MIFXKAIOGPXKGY-DAXOMENPSA-N	1	1	355.467	2.085	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)s1	ZINC001028606137	680379320	/nfs/dbraw/zinc/37/93/20/680379320.db2.gz	MIFXKAIOGPXKGY-DAXOMENPSA-N	1	1	355.467	2.085	20	30		FEEDMO
C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001033875365	680427138	/nfs/dbraw/zinc/42/71/38/680427138.db2.gz	RLXNDSZRXARVBF-ZNMIVQPWSA-N	1	1	364.408	2.222	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2snnc2C)C1	ZINC001034213630	680430290	/nfs/dbraw/zinc/43/02/90/680430290.db2.gz	VYLFMKIYRDFCKR-XHSDSOJGSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2snnc2C)C1	ZINC001034213630	680430292	/nfs/dbraw/zinc/43/02/92/680430292.db2.gz	VYLFMKIYRDFCKR-XHSDSOJGSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CC2CCOCC2)C1	ZINC001034215734	680430698	/nfs/dbraw/zinc/43/06/98/680430698.db2.gz	BLLDGSXTHRBSAJ-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C2CC2)s1	ZINC001035054309	680442629	/nfs/dbraw/zinc/44/26/29/680442629.db2.gz	KSUNVSFZOZPAJF-KFWWJZLASA-N	1	1	362.499	2.087	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(OC)c(Br)c1	ZINC000836270244	680442889	/nfs/dbraw/zinc/44/28/89/680442889.db2.gz	PKAKUROEIPLLRF-UHFFFAOYSA-N	1	1	368.275	2.212	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](CCc2scnc2C)CC1	ZINC001001172412	680453349	/nfs/dbraw/zinc/45/33/49/680453349.db2.gz	VPLAVKABGJUPEZ-SJORKVTESA-N	1	1	361.511	2.333	20	30		FEEDMO
C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001039205765	680462564	/nfs/dbraw/zinc/46/25/64/680462564.db2.gz	ZLTNFKHNCINZFV-UHOSZYNNSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NOCc1ccc(F)cc1Br	ZINC000836415458	680466428	/nfs/dbraw/zinc/46/64/28/680466428.db2.gz	JAZUOHRJYOEEPQ-UHFFFAOYSA-N	1	1	372.238	2.274	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1cc(F)c(F)cc1Br	ZINC000836455274	680472060	/nfs/dbraw/zinc/47/20/60/680472060.db2.gz	GDOFOALSSVKGHV-UHFFFAOYSA-N	1	1	374.229	2.482	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCc2cc(Br)ccc2C1	ZINC000836490046	680476510	/nfs/dbraw/zinc/47/65/10/680476510.db2.gz	DKKNHZAAGVZOIX-UHFFFAOYSA-N	1	1	364.287	2.472	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H]1COC(=O)CSCC(=O)N(C)C1CCCCC1	ZINC000756542327	680483963	/nfs/dbraw/zinc/48/39/63/680483963.db2.gz	HMCRHWXUXNYPSL-QGZVFWFLSA-N	1	1	366.527	2.152	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)CSCC(=O)N(C)C1CCCCC1	ZINC000756542327	680483965	/nfs/dbraw/zinc/48/39/65/680483965.db2.gz	HMCRHWXUXNYPSL-QGZVFWFLSA-N	1	1	366.527	2.152	20	30		FEEDMO
C[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C	ZINC001042511114	680533202	/nfs/dbraw/zinc/53/32/02/680533202.db2.gz	UCUHYINOFUXUPE-NQBHXWOUSA-N	1	1	367.906	2.093	20	30		FEEDMO
C#CCCCC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1	ZINC000837009202	680541728	/nfs/dbraw/zinc/54/17/28/680541728.db2.gz	UOKHJZIWQKQNJO-UHFFFAOYSA-N	1	1	365.275	2.338	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1Nc1ncc(C#N)cc1Cl	ZINC001043250566	680569640	/nfs/dbraw/zinc/56/96/40/680569640.db2.gz	FAAQXTLIQGEWPP-XJKCOSOUSA-N	1	1	361.877	2.207	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@H]2CC(C)(C)CO2)C1	ZINC001044029628	680606362	/nfs/dbraw/zinc/60/63/62/680606362.db2.gz	SHOQOBXKAXPAGO-SQNIBIBYSA-N	1	1	350.503	2.315	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCCC2CCOCC2)C1	ZINC001046632432	680651773	/nfs/dbraw/zinc/65/17/73/680651773.db2.gz	YBIWVRIXFWFIJU-HBFSDRIKSA-N	1	1	350.503	2.365	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@H+]1C	ZINC001046633212	680652121	/nfs/dbraw/zinc/65/21/21/680652121.db2.gz	QYCYZIQKRVWYQH-RJZRQDKASA-N	1	1	361.877	2.254	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001046633380	680652231	/nfs/dbraw/zinc/65/22/31/680652231.db2.gz	VMHVWMGYVNZPNC-WISYIIOYSA-N	1	1	367.906	2.315	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2S(=O)(=O)C(F)F)CC1	ZINC000841390221	680876765	/nfs/dbraw/zinc/87/67/65/680876765.db2.gz	HWQUACRWEBQWRZ-UHFFFAOYSA-N	1	1	372.437	2.453	20	30		FEEDMO
C#CC[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1=O	ZINC000842245630	680934557	/nfs/dbraw/zinc/93/45/57/680934557.db2.gz	TYKNUKBYTKEALI-VBNZEHGJSA-N	1	1	363.820	2.416	20	30		FEEDMO
CCCCCCCCn1nc(C)c(S(=O)(=O)N2CC[NH2+]CC2)c1C	ZINC000842680268	680959292	/nfs/dbraw/zinc/95/92/92/680959292.db2.gz	ZCRXXDRFAMNNOM-UHFFFAOYSA-N	1	1	356.536	2.454	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@@H](C)n1cc(Br)cn1	ZINC000842711073	680961206	/nfs/dbraw/zinc/96/12/06/680961206.db2.gz	WBYOUXVLMQUSLQ-OCCSQVGLSA-N	1	1	354.248	2.238	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@H](C)n1cc(Br)cn1	ZINC000842711071	680961302	/nfs/dbraw/zinc/96/13/02/680961302.db2.gz	WBYOUXVLMQUSLQ-GXTWGEPZSA-N	1	1	354.248	2.238	20	30		FEEDMO
C#C[C@H](C)[N@H+](C)CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	ZINC000769961819	681001739	/nfs/dbraw/zinc/00/17/39/681001739.db2.gz	NMHGNAKGCVGPIY-AWEZNQCLSA-N	1	1	351.853	2.077	20	30		FEEDMO
C#C[C@H](C)[N@@H+](C)CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	ZINC000769961819	681001741	/nfs/dbraw/zinc/00/17/41/681001741.db2.gz	NMHGNAKGCVGPIY-AWEZNQCLSA-N	1	1	351.853	2.077	20	30		FEEDMO
N#Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1	ZINC001050325680	681045079	/nfs/dbraw/zinc/04/50/79/681045079.db2.gz	KPWBPNYVAVIMJR-CZPYZCIJSA-N	1	1	362.455	2.050	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1ncc(C)s1)CC2	ZINC001050670748	681053434	/nfs/dbraw/zinc/05/34/34/681053434.db2.gz	ROVPDUDFLPQDCG-CVEARBPZSA-N	1	1	361.511	2.467	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CC(=O)NCCC#N)[C@H]1CCNC(=O)OC(C)(C)C	ZINC000844399033	681056454	/nfs/dbraw/zinc/05/64/54/681056454.db2.gz	ZYTWNBKCHCNHJE-GJZGRUSLSA-N	1	1	352.479	2.032	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CC1CC(C)(C)C1	ZINC001050922894	681058179	/nfs/dbraw/zinc/05/81/79/681058179.db2.gz	BWFCGOKYXSIBBM-KSZLIROESA-N	1	1	350.503	2.221	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC1CC(C)(C)C1	ZINC001050922894	681058180	/nfs/dbraw/zinc/05/81/80/681058180.db2.gz	BWFCGOKYXSIBBM-KSZLIROESA-N	1	1	350.503	2.221	20	30		FEEDMO
CC#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1	ZINC001052043309	681071023	/nfs/dbraw/zinc/07/10/23/681071023.db2.gz	URVFKSYYWFIKMB-GBESFXJTSA-N	1	1	357.523	2.093	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNc1nc(C#N)c(Cl)s1	ZINC001053653742	681102591	/nfs/dbraw/zinc/10/25/91/681102591.db2.gz	WUBXXALVGQHHKJ-WZRBSPASSA-N	1	1	367.906	2.269	20	30		FEEDMO
CC[C@@H](CSC)[N@H+](C)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000773253591	681133147	/nfs/dbraw/zinc/13/31/47/681133147.db2.gz	CXKGOTMKPLGJNF-MAUKXSAKSA-N	1	1	360.483	2.356	20	30		FEEDMO
CC[C@@H](CSC)[N@@H+](C)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000773253591	681133148	/nfs/dbraw/zinc/13/31/48/681133148.db2.gz	CXKGOTMKPLGJNF-MAUKXSAKSA-N	1	1	360.483	2.356	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001059444313	681180681	/nfs/dbraw/zinc/18/06/81/681180681.db2.gz	SIXRWISKACCJPH-MRBYEJRBSA-N	1	1	367.906	2.458	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](Nc3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001059444223	681180841	/nfs/dbraw/zinc/18/08/41/681180841.db2.gz	MVOWLFACSHPPSX-MRBYEJRBSA-N	1	1	367.906	2.458	20	30		FEEDMO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)CC1	ZINC000774875044	681244449	/nfs/dbraw/zinc/24/44/49/681244449.db2.gz	GZIOVRAMUKKNMP-CYBMUJFWSA-N	1	1	354.281	2.421	20	30		FEEDMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@H](CC#N)C(F)(F)F	ZINC000932915796	681327632	/nfs/dbraw/zinc/32/76/32/681327632.db2.gz	OPARZJOIWCWXJF-GFCCVEGCSA-N	1	1	352.320	2.220	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCCO1	ZINC000775796948	681336232	/nfs/dbraw/zinc/33/62/32/681336232.db2.gz	BCLSZHNDMJZQNV-KGLIPLIRSA-N	1	1	371.300	2.239	20	30		FEEDMO
CC[NH+]1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1	ZINC000847280979	681358382	/nfs/dbraw/zinc/35/83/82/681358382.db2.gz	OIHNDXXIAUOUTI-OAHLLOKOSA-N	1	1	352.479	2.128	20	30		FEEDMO
C[N@H+]1CCCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1	ZINC000847284749	681359056	/nfs/dbraw/zinc/35/90/56/681359056.db2.gz	PYVDABKTEYKFEA-HNNXBMFYSA-N	1	1	352.479	2.128	20	30		FEEDMO
C#CCOCC[N@@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCOCC2	ZINC000933516064	681425132	/nfs/dbraw/zinc/42/51/32/681425132.db2.gz	NRPFDXIXRZJELX-UHFFFAOYSA-N	1	1	352.475	2.128	20	30		FEEDMO
CC[N@@H+](CCC(=O)NC)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000933862907	681476076	/nfs/dbraw/zinc/47/60/76/681476076.db2.gz	FMLVBFJDRVMFGU-AWEZNQCLSA-N	1	1	362.499	2.477	20	30		FEEDMO
C=CC1(CC(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)CCCCC1	ZINC000934229512	681529203	/nfs/dbraw/zinc/52/92/03/681529203.db2.gz	ACHJTGUJBDDSES-INIZCTEOSA-N	1	1	356.532	2.090	20	30		FEEDMO
C=CC1(CC(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)CCCCC1	ZINC000934229515	681529214	/nfs/dbraw/zinc/52/92/14/681529214.db2.gz	ACHJTGUJBDDSES-MRXNPFEDSA-N	1	1	356.532	2.090	20	30		FEEDMO
CN(C)S(=O)(=O)c1ccccc1-c1noc([C@H]([NH3+])CCCCC#N)n1	ZINC000848624534	681591331	/nfs/dbraw/zinc/59/13/31/681591331.db2.gz	MLAKOPZDNVVFOD-CYBMUJFWSA-N	1	1	363.443	2.071	20	30		FEEDMO
CCNS(=O)(=O)c1cccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)c1	ZINC000848630270	681591920	/nfs/dbraw/zinc/59/19/20/681591920.db2.gz	JSYYBYKMXVFIBP-AWEZNQCLSA-N	1	1	363.443	2.119	20	30		FEEDMO
C=CCCC[N@H+](CC)CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C	ZINC000934649397	681605898	/nfs/dbraw/zinc/60/58/98/681605898.db2.gz	UPMZZVHUJQCNJC-UHFFFAOYSA-N	1	1	353.488	2.177	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC000949365072	681635033	/nfs/dbraw/zinc/63/50/33/681635033.db2.gz	BZKHRMUNGFCQLY-QHSBEEBCSA-N	1	1	355.910	2.068	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](CCC(C)C)CCO2	ZINC000949476755	681642574	/nfs/dbraw/zinc/64/25/74/681642574.db2.gz	HBBTZNVSEAERID-MSOLQXFVSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=CCCn1cc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)nn1	ZINC000850153643	681860417	/nfs/dbraw/zinc/86/04/17/681860417.db2.gz	JBBXJBJXGMCIRQ-HNNXBMFYSA-N	1	1	364.833	2.102	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000780865730	681879340	/nfs/dbraw/zinc/87/93/40/681879340.db2.gz	CDSHEWFMIZITRF-LLVKDONJSA-N	1	1	361.389	2.340	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@@H]4C[C@]4(CO)C3)sc2C1	ZINC000782602257	682063189	/nfs/dbraw/zinc/06/31/89/682063189.db2.gz	AGNLFEARLVPGFD-QHRIQVFBSA-N	1	1	359.495	2.387	20	30		FEEDMO
C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1	ZINC000940838481	682083731	/nfs/dbraw/zinc/08/37/31/682083731.db2.gz	HIAKJYVPALEQTD-MCIONIFRSA-N	1	1	364.408	2.126	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]21	ZINC000961994958	682105572	/nfs/dbraw/zinc/10/55/72/682105572.db2.gz	LBQQWWNTMPZHIB-DTJSUFBGSA-N	1	1	361.511	2.369	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]21	ZINC000961994958	682105573	/nfs/dbraw/zinc/10/55/73/682105573.db2.gz	LBQQWWNTMPZHIB-DTJSUFBGSA-N	1	1	361.511	2.369	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3scnc3C)C[C@H]21	ZINC000961996436	682106040	/nfs/dbraw/zinc/10/60/40/682106040.db2.gz	UIJMXHLBKJBBDG-DTJSUFBGSA-N	1	1	361.511	2.369	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2cnsn2)CC1	ZINC000963338092	682138364	/nfs/dbraw/zinc/13/83/64/682138364.db2.gz	PNGVBCGNKLFIQF-BNICSPFPSA-N	1	1	364.515	2.379	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000783535372	682150865	/nfs/dbraw/zinc/15/08/65/682150865.db2.gz	DSOFLXUOKKQPNF-GFCCVEGCSA-N	1	1	354.863	2.172	20	30		FEEDMO
CCCC[N@@H+](C)CC1CCN(c2cccc(S(N)(=O)=O)c2C#N)CC1	ZINC000784571213	682238550	/nfs/dbraw/zinc/23/85/50/682238550.db2.gz	IUPIWHDGZWPLQK-UHFFFAOYSA-N	1	1	364.515	2.154	20	30		FEEDMO
C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(C#N)cc3Cl)C[C@]2(C)C1	ZINC000918359892	685538758	/nfs/dbraw/zinc/53/87/58/685538758.db2.gz	MAVOHLMDYXDRPG-IYBDPMFKSA-N	1	1	353.875	2.174	20	30		FEEDMO
C#CCC[N@@H+](CCOC)CC(=O)N(C)Cc1ccccc1Br	ZINC000852752647	682335856	/nfs/dbraw/zinc/33/58/56/682335856.db2.gz	GJHFEDBAQKRVGD-UHFFFAOYSA-N	1	1	367.287	2.379	20	30		FEEDMO
C#CCC[N@H+](CCOC)CC(=O)N(C)Cc1ccccc1Br	ZINC000852752647	682335860	/nfs/dbraw/zinc/33/58/60/682335860.db2.gz	GJHFEDBAQKRVGD-UHFFFAOYSA-N	1	1	367.287	2.379	20	30		FEEDMO
C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)C1	ZINC000972382512	682411487	/nfs/dbraw/zinc/41/14/87/682411487.db2.gz	ZMQSRHCNXGHVQB-MBOZVWFJSA-N	1	1	358.507	2.487	20	30		FEEDMO
C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)C1	ZINC000972382512	682411491	/nfs/dbraw/zinc/41/14/91/682411491.db2.gz	ZMQSRHCNXGHVQB-MBOZVWFJSA-N	1	1	358.507	2.487	20	30		FEEDMO
C(=[NH+]N[C@@H]1CCOC1)c1sc(N2CCOCC2)nc1-c1ccccc1	ZINC000788440483	682530163	/nfs/dbraw/zinc/53/01/63/682530163.db2.gz	URBYIBXVLGPYJL-OAHLLOKOSA-N	1	1	358.467	2.359	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1cc(F)c(Br)cc1F	ZINC000858493057	682972871	/nfs/dbraw/zinc/97/28/71/682972871.db2.gz	HRZTZZIEOOYIEZ-UHFFFAOYSA-N	1	1	374.229	2.482	20	30		FEEDMO
CC(=NNc1cc[nH+]cc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl	ZINC000794531995	682975873	/nfs/dbraw/zinc/97/58/73/682975873.db2.gz	XWJKCWLMEJIKPQ-UHFFFAOYSA-N	1	1	359.238	2.294	20	30		FEEDMO
C#CC[C@H](COC)Nc1nc(N[C@@H](CC#C)COC)[nH+]c2c1SCC2	ZINC000858861266	683008505	/nfs/dbraw/zinc/00/85/05/683008505.db2.gz	VZQFGNWKBYIYML-KGLIPLIRSA-N	1	1	360.483	2.025	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+](CCO)Cc2cccnc2Cl)cc1	ZINC000796562047	683171433	/nfs/dbraw/zinc/17/14/33/683171433.db2.gz	JNNQFZKYDMRVGD-UHFFFAOYSA-N	1	1	358.829	2.430	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+](CCO)Cc2cccnc2Cl)cc1	ZINC000796562047	683171435	/nfs/dbraw/zinc/17/14/35/683171435.db2.gz	JNNQFZKYDMRVGD-UHFFFAOYSA-N	1	1	358.829	2.430	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C)[C@H]2CNC(=O)OC(C)(C)C)C1=O	ZINC000799124917	683425151	/nfs/dbraw/zinc/42/51/51/683425151.db2.gz	BFQBRNKIJFDBSS-HRCADAONSA-N	1	1	351.491	2.399	20	30		FEEDMO
C#CC[NH+]1CCC(NS(=O)(=O)c2ccc3nc(Cl)sc3c2)CC1	ZINC000921438491	683467702	/nfs/dbraw/zinc/46/77/02/683467702.db2.gz	BUZNLJTYBHYQPM-UHFFFAOYSA-N	1	1	369.899	2.326	20	30		FEEDMO
CC(C)(C)NS(=O)(=O)c1ccccc1N=NC1C[N@H+]2C[C@@H]1CCC2	ZINC000863082838	683676962	/nfs/dbraw/zinc/67/69/62/683676962.db2.gz	QMEJPWQOJVJFAR-ZDUSSCGKSA-N	1	1	350.488	2.257	20	30		FEEDMO
C[N@@H+]1CCC(N=NC2=NCCN2)C[C@H]1c1ccc(Br)cc1	ZINC000863120021	683677751	/nfs/dbraw/zinc/67/77/51/683677751.db2.gz	KSTQCUHNCOSGJY-AWEZNQCLSA-N	1	1	350.264	2.121	20	30		FEEDMO
C[N@H+]1CCC(N=NC2=NCCN2)C[C@H]1c1ccc(Br)cc1	ZINC000863120021	683677754	/nfs/dbraw/zinc/67/77/54/683677754.db2.gz	KSTQCUHNCOSGJY-AWEZNQCLSA-N	1	1	350.264	2.121	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1	ZINC000931151064	683842336	/nfs/dbraw/zinc/84/23/36/683842336.db2.gz	MEPBVIPCDWREDT-HNNXBMFYSA-N	1	1	352.356	2.271	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(C(C)(C)C)c2Br)C1	ZINC000923555494	684305025	/nfs/dbraw/zinc/30/50/25/684305025.db2.gz	AVWABBDOCXGVOG-GFCCVEGCSA-N	1	1	367.291	2.228	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C(C)(C)C)c2Br)C1	ZINC000923555494	684305029	/nfs/dbraw/zinc/30/50/29/684305029.db2.gz	AVWABBDOCXGVOG-GFCCVEGCSA-N	1	1	367.291	2.228	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2S[C@@H](C)C(=O)OC)C1	ZINC000923587047	684309360	/nfs/dbraw/zinc/30/93/60/684309360.db2.gz	VDOHZNUVERXKEE-GJZGRUSLSA-N	1	1	360.479	2.168	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2S[C@@H](C)C(=O)OC)C1	ZINC000923587047	684309362	/nfs/dbraw/zinc/30/93/62/684309362.db2.gz	VDOHZNUVERXKEE-GJZGRUSLSA-N	1	1	360.479	2.168	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H]2C(=O)NCC2(C)C)ccc1Cl	ZINC000931662973	684323010	/nfs/dbraw/zinc/32/30/10/684323010.db2.gz	PDHNVBJJANKEBM-INIZCTEOSA-N	1	1	362.861	2.009	20	30		FEEDMO
C[N@H+](CCO)Cc1cc(NC(=O)[C@@]2(C#N)CCCOC2)ccc1Cl	ZINC000868009328	684438967	/nfs/dbraw/zinc/43/89/67/684438967.db2.gz	DETVLIWGJGBLAT-QGZVFWFLSA-N	1	1	351.834	2.023	20	30		FEEDMO
C[N@@H+](CCO)Cc1cc(NC(=O)[C@@]2(C#N)CCCOC2)ccc1Cl	ZINC000868009328	684438970	/nfs/dbraw/zinc/43/89/70/684438970.db2.gz	DETVLIWGJGBLAT-QGZVFWFLSA-N	1	1	351.834	2.023	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ncc(Br)s1	ZINC000872239066	684930868	/nfs/dbraw/zinc/93/08/68/684930868.db2.gz	CJVBGJAXGZMCIF-NSHDSACASA-N	1	1	368.256	2.307	20	30		FEEDMO
CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2ncc(C#N)cc2Cl)CC1	ZINC000910863540	685130552	/nfs/dbraw/zinc/13/05/52/685130552.db2.gz	JVYCTZMYKAAPAI-UHFFFAOYSA-N	1	1	364.877	2.162	20	30		FEEDMO
N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1	ZINC000877565959	686410398	/nfs/dbraw/zinc/41/03/98/686410398.db2.gz	CEUJDKVUYDMCHQ-YPMHNXCESA-N	1	1	372.778	2.449	20	30		FEEDMO
N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1	ZINC000877565959	686410400	/nfs/dbraw/zinc/41/04/00/686410400.db2.gz	CEUJDKVUYDMCHQ-YPMHNXCESA-N	1	1	372.778	2.449	20	30		FEEDMO
CC(C)(O)C[C@H](O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000878536460	686603881	/nfs/dbraw/zinc/60/38/81/686603881.db2.gz	XPPZQPYYOLKXKV-DLBZAZTESA-N	1	1	351.878	2.044	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[NH+]1CCC(c2nc(C)c(C(=O)OCC)s2)CC1	ZINC000879680134	686887184	/nfs/dbraw/zinc/88/71/84/686887184.db2.gz	ZWMKWIHGBBOYEY-ZDUSSCGKSA-N	1	1	365.499	2.498	20	30		FEEDMO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccccc2OC(F)F)CC1	ZINC000880479263	687052381	/nfs/dbraw/zinc/05/23/81/687052381.db2.gz	RJIBXDLCMZUOGL-CYBMUJFWSA-N	1	1	352.381	2.465	20	30		FEEDMO
N#Cc1cnc(N2CCN(c3ccc(N)[nH+]c3)CC2)c(Br)c1	ZINC000881857721	687236042	/nfs/dbraw/zinc/23/60/42/687236042.db2.gz	CXSAWWHVEPOXJC-UHFFFAOYSA-N	1	1	359.231	2.020	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(C)cc(F)cc1C#N	ZINC000885459602	688078800	/nfs/dbraw/zinc/07/88/00/688078800.db2.gz	LBMJICVZWYACRN-CVEARBPZSA-N	1	1	351.447	2.253	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2nc(Cl)c(C#N)s2)CC1	ZINC000888412408	688607066	/nfs/dbraw/zinc/60/70/66/688607066.db2.gz	JJYKOHCYONHZKR-NSHDSACASA-N	1	1	370.910	2.063	20	30		FEEDMO
C[NH+]1CCN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CC1	ZINC000510238534	689355486	/nfs/dbraw/zinc/35/54/86/689355486.db2.gz	RSFCLLONCRPAPC-UHFFFAOYSA-N	1	1	374.495	2.481	20	30		FEEDMO
CC(C)(C)OCCC[NH+]1CCN(C(=O)NCc2nc(C#N)cs2)CC1	ZINC000897264395	689996880	/nfs/dbraw/zinc/99/68/80/689996880.db2.gz	ATXJDJNEDIRBIN-UHFFFAOYSA-N	1	1	365.503	2.047	20	30		FEEDMO
N#Cc1csc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)c1	ZINC000897274924	689999167	/nfs/dbraw/zinc/99/91/67/689999167.db2.gz	ZMKKDUIKRJJJHL-UHFFFAOYSA-N	1	1	353.513	2.400	20	30		FEEDMO
Cc1cccc(C[NH+]2CCN(C(=O)NCc3nc(C#N)cs3)CC2)c1	ZINC000897302207	690002527	/nfs/dbraw/zinc/00/25/27/690002527.db2.gz	GTQUOMQQIZYISV-UHFFFAOYSA-N	1	1	355.467	2.351	20	30		FEEDMO
C#CCSCC(=O)N1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1	ZINC000899024603	690288882	/nfs/dbraw/zinc/28/88/82/690288882.db2.gz	BLJQUSCJIHERKU-GOSISDBHSA-N	1	1	361.511	2.268	20	30		FEEDMO
CC(C)CC(=NNC(=S)NCCC[NH+]1CCOCC1)C1CCOCC1	ZINC000905420679	691116845	/nfs/dbraw/zinc/11/68/45/691116845.db2.gz	HMLGBFSPBDPNRK-UHFFFAOYSA-N	1	1	370.563	2.002	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906863359	691330650	/nfs/dbraw/zinc/33/06/50/691330650.db2.gz	HBCQIFGQGHOUEB-YOEHRIQHSA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906863359	691330655	/nfs/dbraw/zinc/33/06/55/691330655.db2.gz	HBCQIFGQGHOUEB-YOEHRIQHSA-N	1	1	356.451	2.067	20	30		FEEDMO
N#Cc1nccnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2	ZINC001164704877	719886994	/nfs/dbraw/zinc/88/69/94/719886994.db2.gz	WVECTYQFUOHPAD-UHFFFAOYSA-N	1	1	355.467	2.281	20	30		FEEDMO
N#Cc1nccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2	ZINC001164704877	719886995	/nfs/dbraw/zinc/88/69/95/719886995.db2.gz	WVECTYQFUOHPAD-UHFFFAOYSA-N	1	1	355.467	2.281	20	30		FEEDMO
N#Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164867943	721039010	/nfs/dbraw/zinc/03/90/10/721039010.db2.gz	LDJSIMYTKWMVNQ-IAGOWNOFSA-N	1	1	369.856	2.481	20	30		FEEDMO
Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ccc1C#N	ZINC001164884029	721422855	/nfs/dbraw/zinc/42/28/55/721422855.db2.gz	CZNAEXZVNXBMDZ-PZJWPPBQSA-N	1	1	369.513	2.027	20	30		FEEDMO
N#Cc1nc(Cl)cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164897207	721519945	/nfs/dbraw/zinc/51/99/45/721519945.db2.gz	FIXFYLQWBOOFMY-DZGCQCFKSA-N	1	1	373.819	2.483	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2C#N)[C@H]2CCCO[C@H]12	ZINC001164811156	721542257	/nfs/dbraw/zinc/54/22/57/721542257.db2.gz	YWRBRNJIUOIKHB-ZCNNSNEGSA-N	1	1	374.448	2.088	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2C#N)[C@H]2CCCO[C@H]12	ZINC001164811156	721542259	/nfs/dbraw/zinc/54/22/59/721542259.db2.gz	YWRBRNJIUOIKHB-ZCNNSNEGSA-N	1	1	374.448	2.088	20	30		FEEDMO
CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC001165039258	721914251	/nfs/dbraw/zinc/91/42/51/721914251.db2.gz	SDSDNWLYGAKBHR-MRXNPFEDSA-N	1	1	371.485	2.239	20	30		FEEDMO
N#Cc1nc(NCC2([NH+]3CCOCC3)CCOCC2)ccc1C(F)(F)F	ZINC000516013082	887752890	/nfs/dbraw/zinc/75/28/90/887752890.db2.gz	UKVPZEDFGOLGPD-UHFFFAOYSA-N	1	1	370.375	2.265	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)N1CCCC1	ZINC000011502132	539529287	/nfs/dbraw/zinc/52/92/87/539529287.db2.gz	PESHYBOVGZNZEZ-UHFFFAOYSA-N	1	1	374.510	2.381	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1	ZINC000015043268	539610020	/nfs/dbraw/zinc/61/00/20/539610020.db2.gz	DWRJWWODPIMVQK-FQEVSTJZSA-N	1	1	372.469	2.097	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000021405220	539683023	/nfs/dbraw/zinc/68/30/23/539683023.db2.gz	SODLWVBTKJBAOK-OAQYLSRUSA-N	1	1	367.497	2.120	20	30		FEEDMO
N#Cc1ccc(NC(=O)CN2CC[NH+](CCOc3ccccc3)CC2)cc1	ZINC000023334076	539712100	/nfs/dbraw/zinc/71/21/00/539712100.db2.gz	PHKIPOUPBLXYME-UHFFFAOYSA-N	1	1	364.449	2.193	20	30		FEEDMO
N#Cc1ccccc1S(=O)(=O)NCCC[N@H+]1CCc2ccccc2C1	ZINC000026833001	539794192	/nfs/dbraw/zinc/79/41/92/539794192.db2.gz	XZMPDTPLDDPKDT-UHFFFAOYSA-N	1	1	355.463	2.285	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)NC(C)(C)C	ZINC000028900324	539838877	/nfs/dbraw/zinc/83/88/77/539838877.db2.gz	OSZJLXHGUQDNRN-UHFFFAOYSA-N	1	1	350.850	2.387	20	30		FEEDMO
CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000029723882	539862400	/nfs/dbraw/zinc/86/24/00/539862400.db2.gz	BLHRXEDMKTWNEU-LJQANCHMSA-N	1	1	353.422	2.388	20	30		FEEDMO
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000029985660	539871358	/nfs/dbraw/zinc/87/13/58/539871358.db2.gz	FGTHZOTZROPRJK-UHFFFAOYSA-N	1	1	367.409	2.153	20	30		FEEDMO
Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000029985660	539871361	/nfs/dbraw/zinc/87/13/61/539871361.db2.gz	FGTHZOTZROPRJK-UHFFFAOYSA-N	1	1	367.409	2.153	20	30		FEEDMO
CCCCNC(=O)C1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000029928404	539869142	/nfs/dbraw/zinc/86/91/42/539869142.db2.gz	YXGVVPPUESLZHH-LJQANCHMSA-N	1	1	368.481	2.292	20	30		FEEDMO
CC(C)N(C)C(=O)C1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000030977378	539895072	/nfs/dbraw/zinc/89/50/72/539895072.db2.gz	CDXNFKXNNCYOQK-BEFAXECRSA-N	1	1	350.507	2.008	20	30		FEEDMO
CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1COc2ccccc2O1	ZINC000042979050	540084905	/nfs/dbraw/zinc/08/49/05/540084905.db2.gz	VZNKBCQTDGPKQV-MRXNPFEDSA-N	1	1	357.454	2.491	20	30		FEEDMO
CC[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1COc2ccccc2O1	ZINC000042979050	540084907	/nfs/dbraw/zinc/08/49/07/540084907.db2.gz	VZNKBCQTDGPKQV-MRXNPFEDSA-N	1	1	357.454	2.491	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCO2	ZINC000045750485	540225189	/nfs/dbraw/zinc/22/51/89/540225189.db2.gz	HNWMJPREKBKGTI-MRXNPFEDSA-N	1	1	373.453	2.169	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000046479061	540258978	/nfs/dbraw/zinc/25/89/78/540258978.db2.gz	SBYBBRKFOUNSFR-GOSISDBHSA-N	1	1	352.394	2.298	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1)C1(C#N)CCCCC1	ZINC000051557014	540437514	/nfs/dbraw/zinc/43/75/14/540437514.db2.gz	VLWIXACLAVLZDY-SFHVURJKSA-N	1	1	374.529	2.396	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC3(CC2)OCCO3)c1C	ZINC000052533530	540471921	/nfs/dbraw/zinc/47/19/21/540471921.db2.gz	QDVXPWGGAISAGP-UHFFFAOYSA-N	1	1	357.454	2.389	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000052800850	540490206	/nfs/dbraw/zinc/49/02/06/540490206.db2.gz	KOOPIGKSOUKBBY-QGZVFWFLSA-N	1	1	353.470	2.079	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000052800850	540490207	/nfs/dbraw/zinc/49/02/07/540490207.db2.gz	KOOPIGKSOUKBBY-QGZVFWFLSA-N	1	1	353.470	2.079	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000052829739	540491697	/nfs/dbraw/zinc/49/16/97/540491697.db2.gz	WZMYYGJREXHRAN-STQMWFEESA-N	1	1	350.850	2.076	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCOc1cccc(Cl)c1	ZINC000053742208	540551612	/nfs/dbraw/zinc/55/16/12/540551612.db2.gz	XNIGILKWKZPFOQ-CYBMUJFWSA-N	1	1	353.850	2.441	20	30		FEEDMO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1CCCO1	ZINC000076299081	542257069	/nfs/dbraw/zinc/25/70/69/542257069.db2.gz	YHTNNYMCQDUVII-MRXNPFEDSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1CCCO1	ZINC000076299081	542257074	/nfs/dbraw/zinc/25/70/74/542257074.db2.gz	YHTNNYMCQDUVII-MRXNPFEDSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000054946255	540618047	/nfs/dbraw/zinc/61/80/47/540618047.db2.gz	DJFPIUVNOBFZKQ-GASCZTMLSA-N	1	1	356.470	2.369	20	30		FEEDMO
Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1	ZINC000060480053	541113679	/nfs/dbraw/zinc/11/36/79/541113679.db2.gz	ATBQNFCPCFIUPB-LJQANCHMSA-N	1	1	366.465	2.132	20	30		FEEDMO
C=CCc1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc(OC)c1OC	ZINC000061649948	541136365	/nfs/dbraw/zinc/13/63/65/541136365.db2.gz	ZGSCCNSPZBEKGY-DLBZAZTESA-N	1	1	360.454	2.025	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)NCCCn1cc[nH+]c1C	ZINC000063788607	541186183	/nfs/dbraw/zinc/18/61/83/541186183.db2.gz	JKUIPZJEHMKVJY-UHFFFAOYSA-N	1	1	355.442	2.312	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(c3cccc(F)c3C#N)CC2)CC1	ZINC000066468225	541322017	/nfs/dbraw/zinc/32/20/17/541322017.db2.gz	WDUPPSXLTOOKCU-UHFFFAOYSA-N	1	1	358.461	2.468	20	30		FEEDMO
C[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[N@@H+](C)C1CC1	ZINC000066623541	541348890	/nfs/dbraw/zinc/34/88/90/541348890.db2.gz	CUPXDJQRKMNHMI-INIZCTEOSA-N	1	1	356.470	2.312	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2	ZINC000066898793	541389046	/nfs/dbraw/zinc/38/90/46/541389046.db2.gz	MSDSVCXVUKMQTE-KRWDZBQOSA-N	1	1	368.437	2.251	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2	ZINC000066898793	541389051	/nfs/dbraw/zinc/38/90/51/541389051.db2.gz	MSDSVCXVUKMQTE-KRWDZBQOSA-N	1	1	368.437	2.251	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000067033475	541409000	/nfs/dbraw/zinc/40/90/00/541409000.db2.gz	ZINYTVQEJTVZPP-MRXNPFEDSA-N	1	1	370.501	2.096	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1	ZINC000068280386	541572047	/nfs/dbraw/zinc/57/20/47/541572047.db2.gz	VGWABEKGNITFFJ-RTBURBONSA-N	1	1	368.481	2.456	20	30		FEEDMO
Cc1ccnc(NC(=O)C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)c1	ZINC000069013890	541648589	/nfs/dbraw/zinc/64/85/89/541648589.db2.gz	NWGAMQHXIVPEOP-UHFFFAOYSA-N	1	1	351.410	2.161	20	30		FEEDMO
Cc1ccnc(NC(=O)C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)c1	ZINC000069013890	541648592	/nfs/dbraw/zinc/64/85/92/541648592.db2.gz	NWGAMQHXIVPEOP-UHFFFAOYSA-N	1	1	351.410	2.161	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](CN2CCOCC2)C1	ZINC000070011405	541729919	/nfs/dbraw/zinc/72/99/19/541729919.db2.gz	NPPCDYAULFLIFR-CTNGQTDRSA-N	1	1	374.525	2.199	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)COc2ccccc2C#N)C[C@@H](C)O1	ZINC000070903127	541750131	/nfs/dbraw/zinc/75/01/31/541750131.db2.gz	BKKDXCWURLDNGG-NUJGCVRESA-N	1	1	357.454	2.037	20	30		FEEDMO
C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)COc1ccc(CC#N)cc1	ZINC000072702314	541854418	/nfs/dbraw/zinc/85/44/18/541854418.db2.gz	CIAOTAWNOMDHLA-SFHVURJKSA-N	1	1	368.433	2.396	20	30		FEEDMO
COc1ccc(N2CCC([N@@H+](C)CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1	ZINC000072801315	541868620	/nfs/dbraw/zinc/86/86/20/541868620.db2.gz	BVAHLTIPVPITOX-OAQYLSRUSA-N	1	1	370.497	2.404	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C	ZINC000545190846	541897306	/nfs/dbraw/zinc/89/73/06/541897306.db2.gz	URFZNWQXQHHYTP-MRXNPFEDSA-N	1	1	367.457	2.251	20	30		FEEDMO
Cc1cc(C)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(=O)[nH]1	ZINC000073304486	541941084	/nfs/dbraw/zinc/94/10/84/541941084.db2.gz	NHTSVRMSDWXCAZ-UHFFFAOYSA-N	1	1	364.449	2.212	20	30		FEEDMO
C=CCc1ccc(OCC(=O)N[C@H](C)CC[NH+]2CCOCC2)c(OC)c1	ZINC000074105784	542038207	/nfs/dbraw/zinc/03/82/07/542038207.db2.gz	RCULVULSFFEKJA-MRXNPFEDSA-N	1	1	362.470	2.030	20	30		FEEDMO
COc1ccc(CCC(=O)N2CC[NH+](CCCSCC#N)CC2)cc1	ZINC000074989202	542143891	/nfs/dbraw/zinc/14/38/91/542143891.db2.gz	OYMNKWMOWGNKNA-UHFFFAOYSA-N	1	1	361.511	2.419	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)COCc2ccccc2)c1	ZINC000076748874	542320241	/nfs/dbraw/zinc/32/02/41/542320241.db2.gz	HZIMMJFQLZEAIJ-HXUWFJFHSA-N	1	1	352.434	2.116	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)COCc2ccccc2)c1	ZINC000076748874	542320245	/nfs/dbraw/zinc/32/02/45/542320245.db2.gz	HZIMMJFQLZEAIJ-HXUWFJFHSA-N	1	1	352.434	2.116	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1	ZINC000077817124	542423475	/nfs/dbraw/zinc/42/34/75/542423475.db2.gz	WXMWNWDETDSABS-KBPBESRZSA-N	1	1	360.483	2.087	20	30		FEEDMO
Cc1nc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)ccc1C#N	ZINC000079262057	542508932	/nfs/dbraw/zinc/50/89/32/542508932.db2.gz	UCNOEGRZLGTNPP-UHFFFAOYSA-N	1	1	350.422	2.389	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2	ZINC000802010687	674158416	/nfs/dbraw/zinc/15/84/16/674158416.db2.gz	HCORGUSACUOARM-BEFAXECRSA-N	1	1	351.491	2.400	20	30		FEEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1c[nH+]c(N(C)C)n1C	ZINC000083737963	542703137	/nfs/dbraw/zinc/70/31/37/542703137.db2.gz	LTSOBZPYPSNEPM-UHFFFAOYSA-N	1	1	352.442	2.256	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3(C#N)CCCC3)C2)cc(OC)c1	ZINC000087503636	542746641	/nfs/dbraw/zinc/74/66/41/542746641.db2.gz	SJBHCXAHFPUESH-MRXNPFEDSA-N	1	1	357.454	2.478	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3(C#N)CCCC3)C2)cc(OC)c1	ZINC000087503636	542746644	/nfs/dbraw/zinc/74/66/44/542746644.db2.gz	SJBHCXAHFPUESH-MRXNPFEDSA-N	1	1	357.454	2.478	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cc2cccc(OCC#N)c2)C[C@H](C)O1	ZINC000089649764	542767561	/nfs/dbraw/zinc/76/75/61/542767561.db2.gz	VKEZGVFDHDDWAV-IYBDPMFKSA-N	1	1	359.470	2.135	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)O)C1	ZINC000089931534	542775431	/nfs/dbraw/zinc/77/54/31/542775431.db2.gz	NMPODYQEPUJJPK-GVDBMIGSSA-N	1	1	359.470	2.423	20	30		FEEDMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)NC[C@H](C)C#N)c1	ZINC000091282066	542803766	/nfs/dbraw/zinc/80/37/66/542803766.db2.gz	RHYOFRPNZHSOEU-CQSZACIVSA-N	1	1	353.426	2.269	20	30		FEEDMO
COc1ccc([C@H](C)[N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1	ZINC000091515364	542811919	/nfs/dbraw/zinc/81/19/19/542811919.db2.gz	YAMZDMFNPBOUGR-PXNSSMCTSA-N	1	1	372.513	2.380	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1C	ZINC000103284091	543101366	/nfs/dbraw/zinc/10/13/66/543101366.db2.gz	XKHARMZCLFAWAU-DOTOQJQBSA-N	1	1	356.470	2.136	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000103466782	543108633	/nfs/dbraw/zinc/10/86/33/543108633.db2.gz	WOXGPSSQHKZQNK-INIZCTEOSA-N	1	1	364.453	2.304	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000104138186	543124130	/nfs/dbraw/zinc/12/41/30/543124130.db2.gz	IWGHOVHDDFROSS-FQEVSTJZSA-N	1	1	354.498	2.467	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000104800957	543145226	/nfs/dbraw/zinc/14/52/26/543145226.db2.gz	HENOTODHSXAOCY-HNNXBMFYSA-N	1	1	364.515	2.033	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](CCO)C1CCCCC1	ZINC000110035997	543346870	/nfs/dbraw/zinc/34/68/70/543346870.db2.gz	DWIOYIPNCWCHFE-UHFFFAOYSA-N	1	1	367.453	2.309	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1	ZINC000111263363	543390200	/nfs/dbraw/zinc/39/02/00/543390200.db2.gz	LODYOVFFAQWAGS-HNNXBMFYSA-N	1	1	352.438	2.196	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1	ZINC000111263363	543390202	/nfs/dbraw/zinc/39/02/02/543390202.db2.gz	LODYOVFFAQWAGS-HNNXBMFYSA-N	1	1	352.438	2.196	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000112700833	543457827	/nfs/dbraw/zinc/45/78/27/543457827.db2.gz	GKEJTYHJQMFGDE-INIZCTEOSA-N	1	1	362.518	2.203	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000112700833	543457829	/nfs/dbraw/zinc/45/78/29/543457829.db2.gz	GKEJTYHJQMFGDE-INIZCTEOSA-N	1	1	362.518	2.203	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1	ZINC000114573702	543524798	/nfs/dbraw/zinc/52/47/98/543524798.db2.gz	MENRQULVBBANPD-WOJBJXKFSA-N	1	1	369.513	2.138	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000118898539	543661624	/nfs/dbraw/zinc/66/16/24/543661624.db2.gz	AJFKAPSHIFSTPY-CQSZACIVSA-N	1	1	360.483	2.089	20	30		FEEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](CCN(C)C)CC1	ZINC000120223712	543677003	/nfs/dbraw/zinc/67/70/03/543677003.db2.gz	SLFZNALCRSNXSL-UHFFFAOYSA-N	1	1	369.513	2.282	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000122986620	543735575	/nfs/dbraw/zinc/73/55/75/543735575.db2.gz	LLGSXRYSKJGCON-QWHCGFSZSA-N	1	1	353.875	2.459	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2C1=O	ZINC000123385779	543759126	/nfs/dbraw/zinc/75/91/26/543759126.db2.gz	FNTHRCQUAPTXAL-HIFRSBDPSA-N	1	1	355.438	2.023	20	30		FEEDMO
CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000124845016	543846780	/nfs/dbraw/zinc/84/67/80/543846780.db2.gz	ACIGBYUFAFEGJN-MOPGFXCFSA-N	1	1	357.502	2.296	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)NCCCCN1CC[NH+](C)CC1	ZINC000125034207	543857370	/nfs/dbraw/zinc/85/73/70/543857370.db2.gz	RRLINUSCANODAI-UHFFFAOYSA-N	1	1	361.486	2.017	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1	ZINC000125564548	543889426	/nfs/dbraw/zinc/88/94/26/543889426.db2.gz	HLNQKGGPVYJBHT-CZUORRHYSA-N	1	1	360.845	2.141	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1	ZINC000125564548	543889429	/nfs/dbraw/zinc/88/94/29/543889429.db2.gz	HLNQKGGPVYJBHT-CZUORRHYSA-N	1	1	360.845	2.141	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc(F)c(Cl)c1	ZINC000125447558	543882213	/nfs/dbraw/zinc/88/22/13/543882213.db2.gz	YCGSXASCZMYPBI-UHFFFAOYSA-N	1	1	364.812	2.159	20	30		FEEDMO
CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1c(F)cc(C#N)cc1F)C2	ZINC000125818808	543903188	/nfs/dbraw/zinc/90/31/88/543903188.db2.gz	KMOFJQVOLNLOAN-UONOGXRCSA-N	1	1	369.437	2.472	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000126431657	543935156	/nfs/dbraw/zinc/93/51/56/543935156.db2.gz	VMTFVTDKUSDWLX-WMZOPIPTSA-N	1	1	369.465	2.421	20	30		FEEDMO
C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3ccc(F)cc3C#N)C2)CC1	ZINC000126622671	543947678	/nfs/dbraw/zinc/94/76/78/543947678.db2.gz	QPNJRVURBXFZON-QGZVFWFLSA-N	1	1	359.449	2.331	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000127294057	543983785	/nfs/dbraw/zinc/98/37/85/543983785.db2.gz	PVOJKHCGKYXOOP-CYBMUJFWSA-N	1	1	364.833	2.216	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000128641186	544064254	/nfs/dbraw/zinc/06/42/54/544064254.db2.gz	DLIQSIPRFVSJKN-CYBMUJFWSA-N	1	1	351.447	2.335	20	30		FEEDMO
CCCCCCC[N@H+]1CCc2nn(CC(=O)N3CCCC3)c(=O)cc2C1	ZINC000128644938	544064332	/nfs/dbraw/zinc/06/43/32/544064332.db2.gz	YVBKBFYAEOVSHH-UHFFFAOYSA-N	1	1	360.502	2.194	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[N@H+]1C1CC1	ZINC000130509275	544154003	/nfs/dbraw/zinc/15/40/03/544154003.db2.gz	DFBIPXYTBVWTFG-YVWKXTFCSA-N	1	1	367.497	2.031	20	30		FEEDMO
Cn1ncc2c1CCC[C@H]2[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1	ZINC000135611890	544355876	/nfs/dbraw/zinc/35/58/76/544355876.db2.gz	JZOISMITCISKMQ-QFBILLFUSA-N	1	1	354.454	2.235	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2c[nH]c3ccccc23)CC1	ZINC000144099145	544426573	/nfs/dbraw/zinc/42/65/73/544426573.db2.gz	AWPPSSVKYLMKML-HNNXBMFYSA-N	1	1	354.454	2.007	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2c[nH]c3ccccc23)CC1	ZINC000144099145	544426575	/nfs/dbraw/zinc/42/65/75/544426575.db2.gz	AWPPSSVKYLMKML-HNNXBMFYSA-N	1	1	354.454	2.007	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000152506179	544662764	/nfs/dbraw/zinc/66/27/64/544662764.db2.gz	OWNLGYKEIXVUOH-YOEHRIQHSA-N	1	1	362.430	2.012	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000152506179	544662768	/nfs/dbraw/zinc/66/27/68/544662768.db2.gz	OWNLGYKEIXVUOH-YOEHRIQHSA-N	1	1	362.430	2.012	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1	ZINC000152901552	544709793	/nfs/dbraw/zinc/70/97/93/544709793.db2.gz	RKHUDGYGFWDYMO-CQSZACIVSA-N	1	1	370.497	2.271	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1	ZINC000153207150	544746586	/nfs/dbraw/zinc/74/65/86/544746586.db2.gz	BSNWTEHJYXOQGF-INIZCTEOSA-N	1	1	353.378	2.264	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1	ZINC000153207150	544746594	/nfs/dbraw/zinc/74/65/94/544746594.db2.gz	BSNWTEHJYXOQGF-INIZCTEOSA-N	1	1	353.378	2.264	20	30		FEEDMO
C[C@H]1CCC[N@H+]1C1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000153224326	544748971	/nfs/dbraw/zinc/74/89/71/544748971.db2.gz	YURDFHRKSYUNIS-INIZCTEOSA-N	1	1	361.511	2.281	20	30		FEEDMO
C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153283776	544756431	/nfs/dbraw/zinc/75/64/31/544756431.db2.gz	CAASBYZJQGKMRY-KQTLUZQSSA-N	1	1	360.506	2.057	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H](O)COc2ccc(Br)cc2C#N)C[C@@H](C)O1	ZINC000154122310	544867299	/nfs/dbraw/zinc/86/72/99/544867299.db2.gz	WCIBCZIQKSFCDO-JMSVASOKSA-N	1	1	369.259	2.170	20	30		FEEDMO
CN(C)C(=O)C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccccc1	ZINC000553253266	674248559	/nfs/dbraw/zinc/24/85/59/674248559.db2.gz	DGJPPQUQBGLLCG-OAHLLOKOSA-N	1	1	356.451	2.367	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1nccc(C#N)c1Cl	ZINC000553428704	674261290	/nfs/dbraw/zinc/26/12/90/674261290.db2.gz	CXUDQUCKILYQOO-AWEZNQCLSA-N	1	1	356.861	2.624	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C(N)=O)C1	ZINC000187371111	328020501	/nfs/dbraw/zinc/02/05/01/328020501.db2.gz	LJIMTMYPTHHUJP-WFASDCNBSA-N	1	1	374.510	2.413	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000190849004	328235996	/nfs/dbraw/zinc/23/59/96/328235996.db2.gz	UWCBGEOYWPGVHG-PBHICJAKSA-N	1	1	372.469	2.084	20	30		FEEDMO
CC[N@@H+](CC(=O)NCCCN1CCCC1=O)[C@@H](C)c1ccc(C#N)cc1	ZINC000193726544	328391995	/nfs/dbraw/zinc/39/19/95/328391995.db2.gz	JRQQJXHZEOKVRG-INIZCTEOSA-N	1	1	356.470	2.070	20	30		FEEDMO
COCCOc1cccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1	ZINC000193852534	328399075	/nfs/dbraw/zinc/39/90/75/328399075.db2.gz	MKULSFGTYCTFRY-UHFFFAOYSA-N	1	1	352.438	2.301	20	30		FEEDMO
CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(N)=O	ZINC000016419673	324386230	/nfs/dbraw/zinc/38/62/30/324386230.db2.gz	HBQUOIGJWRHSON-UHFFFAOYSA-N	1	1	362.499	2.413	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000081364152	325171778	/nfs/dbraw/zinc/17/17/78/325171778.db2.gz	ZGXZLYNATRXSDD-OAHLLOKOSA-N	1	1	366.469	2.130	20	30		FEEDMO
CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000083538222	325218850	/nfs/dbraw/zinc/21/88/50/325218850.db2.gz	WWCUCBBBSAZEJX-GFCCVEGCSA-N	1	1	361.389	2.292	20	30		FEEDMO
CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000083538222	325218853	/nfs/dbraw/zinc/21/88/53/325218853.db2.gz	WWCUCBBBSAZEJX-GFCCVEGCSA-N	1	1	361.389	2.292	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)c3cc(C#N)cs3)cc2)CC1	ZINC000084181746	325228509	/nfs/dbraw/zinc/22/85/09/325228509.db2.gz	YJWVMQJQVNEASR-UHFFFAOYSA-N	1	1	354.479	2.297	20	30		FEEDMO
Cn1cc[nH+]c1C[C@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000090004049	325349620	/nfs/dbraw/zinc/34/96/20/325349620.db2.gz	SLZNZTGHIPTQMN-QGZVFWFLSA-N	1	1	372.494	2.020	20	30		FEEDMO
Cc1cccc(N2CCC(NC(=O)COc3ccccc3C#N)CC2)[nH+]1	ZINC000116670154	326029229	/nfs/dbraw/zinc/02/92/29/326029229.db2.gz	GJHTWXPBVVJPCI-UHFFFAOYSA-N	1	1	350.422	2.426	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(Cc2[nH+]ccn2C)CC1	ZINC000119774715	326196698	/nfs/dbraw/zinc/19/66/98/326196698.db2.gz	XGESUHAANRDFHM-UHFFFAOYSA-N	1	1	358.467	2.244	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C#N	ZINC000120713328	326281218	/nfs/dbraw/zinc/28/12/18/326281218.db2.gz	PCPNCMPOSHLQDH-YOEHRIQHSA-N	1	1	372.469	2.225	20	30		FEEDMO
Cn1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(-c2cccnc2)n1	ZINC000122923402	326413888	/nfs/dbraw/zinc/41/38/88/326413888.db2.gz	JYVQBPPLUXLIKB-UHFFFAOYSA-N	1	1	359.437	2.071	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)C[NH+]1CCOCC1	ZINC000150718129	326666523	/nfs/dbraw/zinc/66/65/23/326666523.db2.gz	KGIHAXQQVWIGNT-QFBILLFUSA-N	1	1	359.470	2.046	20	30		FEEDMO
N#Cc1ccc2ncc(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)n2c1	ZINC000162642168	327030662	/nfs/dbraw/zinc/03/06/62/327030662.db2.gz	BIKJQNHYBJIRJJ-UHFFFAOYSA-N	1	1	351.454	2.430	20	30		FEEDMO
N#Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1C(F)(F)F	ZINC000167256419	327084478	/nfs/dbraw/zinc/08/44/78/327084478.db2.gz	KHOSRZQAHRRFKH-MRXNPFEDSA-N	1	1	366.387	2.496	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(C#N)nc2)cc1F	ZINC000171081427	327116404	/nfs/dbraw/zinc/11/64/04/327116404.db2.gz	JTLMOYVMMJHHTQ-UHFFFAOYSA-N	1	1	371.397	2.065	20	30		FEEDMO
CC1CCN(C(=O)C2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)CC1	ZINC000172174460	327185643	/nfs/dbraw/zinc/18/56/43/327185643.db2.gz	CKZWMCRFZNVMNK-UHFFFAOYSA-N	1	1	368.481	2.467	20	30		FEEDMO
CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)C2	ZINC000173280022	327246466	/nfs/dbraw/zinc/24/64/66/327246466.db2.gz	ZLJLAOSDRWGCNO-JKSUJKDBSA-N	1	1	358.417	2.110	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000173650191	327273630	/nfs/dbraw/zinc/27/36/30/327273630.db2.gz	JNGWGMGRVJEFNX-ZDUSSCGKSA-N	1	1	362.861	2.340	20	30		FEEDMO
CN1CC[NH+](CCOc2ccc(NC(=O)c3cccc(C#N)c3)cc2)CC1	ZINC000174043966	327303432	/nfs/dbraw/zinc/30/34/32/327303432.db2.gz	KWPBDBDNODPIKK-UHFFFAOYSA-N	1	1	364.449	2.437	20	30		FEEDMO
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1Cc1ccccc1	ZINC000174084067	327305378	/nfs/dbraw/zinc/30/53/78/327305378.db2.gz	QRTVDDPYUHNHAB-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1	ZINC000174084067	327305380	/nfs/dbraw/zinc/30/53/80/327305380.db2.gz	QRTVDDPYUHNHAB-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1	ZINC000174328519	327320037	/nfs/dbraw/zinc/32/00/37/327320037.db2.gz	ZKRDQWWZKPWOIU-UHFFFAOYSA-N	1	1	372.450	2.168	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1cccc(C#N)c1	ZINC000265377340	329120312	/nfs/dbraw/zinc/12/03/12/329120312.db2.gz	DZFOHAXCJWVIQY-MRXNPFEDSA-N	1	1	364.453	2.285	20	30		FEEDMO
CN(C)c1[nH+]cc(CNC(=O)NCCSCc2ccccc2C#N)n1C	ZINC000267625043	329344479	/nfs/dbraw/zinc/34/44/79/329344479.db2.gz	OXWMJGGPSQVDDJ-UHFFFAOYSA-N	1	1	372.498	2.090	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH+]1CCN(c2cncc(F)c2)CC1	ZINC000270939318	329647157	/nfs/dbraw/zinc/64/71/57/329647157.db2.gz	RHCCJPZEPQKNFH-UHFFFAOYSA-N	1	1	356.401	2.302	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F	ZINC000805185273	674324886	/nfs/dbraw/zinc/32/48/86/674324886.db2.gz	DCHWGZXRFXQAKH-GUYCJALGSA-N	1	1	367.852	2.421	20	30		FEEDMO
C[C@H](C(=O)Nc1ncccn1)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000328636924	526196356	/nfs/dbraw/zinc/19/63/56/526196356.db2.gz	OIWDXMRXCASHBO-HLLBOEOZSA-N	1	1	371.489	2.202	20	30		FEEDMO
C[C@H](C(=O)Nc1ncccn1)[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1	ZINC000328636924	526196366	/nfs/dbraw/zinc/19/63/66/526196366.db2.gz	OIWDXMRXCASHBO-HLLBOEOZSA-N	1	1	371.489	2.202	20	30		FEEDMO
C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1	ZINC000328636924	526196381	/nfs/dbraw/zinc/19/63/81/526196381.db2.gz	OIWDXMRXCASHBO-HLLBOEOZSA-N	1	1	371.489	2.202	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000156708895	545650613	/nfs/dbraw/zinc/65/06/13/545650613.db2.gz	BFGJKFOJBHHBGL-OUBFZGACSA-N	1	1	362.518	2.106	20	30		FEEDMO
C#CCCCCNC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000159103535	545922078	/nfs/dbraw/zinc/92/20/78/545922078.db2.gz	OLFODLAWTWBGON-CALCHBBNSA-N	1	1	371.481	2.154	20	30		FEEDMO
C#CCCCCNC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000159103535	545922083	/nfs/dbraw/zinc/92/20/83/545922083.db2.gz	OLFODLAWTWBGON-CALCHBBNSA-N	1	1	371.481	2.154	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1	ZINC000159422959	545952001	/nfs/dbraw/zinc/95/20/01/545952001.db2.gz	MPQORFOABBVLMG-MRXNPFEDSA-N	1	1	359.470	2.284	20	30		FEEDMO
C=CC[N@@H+](CCC(=O)NC(N)=O)Cc1cc(Br)ccc1F	ZINC000159546854	545962394	/nfs/dbraw/zinc/96/23/94/545962394.db2.gz	OOOSYRHSEAFJFI-UHFFFAOYSA-N	1	1	358.211	2.161	20	30		FEEDMO
C=CC[N@H+](CCC(=O)NC(N)=O)Cc1cc(Br)ccc1F	ZINC000159546854	545962395	/nfs/dbraw/zinc/96/23/95/545962395.db2.gz	OOOSYRHSEAFJFI-UHFFFAOYSA-N	1	1	358.211	2.161	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000161259238	546113569	/nfs/dbraw/zinc/11/35/69/546113569.db2.gz	SUAUPGXVLBHYNG-CQSZACIVSA-N	1	1	360.458	2.130	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](C)CC1	ZINC000162091596	546136696	/nfs/dbraw/zinc/13/66/96/546136696.db2.gz	AMTBSKSCFYBLIJ-AWEZNQCLSA-N	1	1	360.483	2.041	20	30		FEEDMO
CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000164451674	546151335	/nfs/dbraw/zinc/15/13/35/546151335.db2.gz	HULCZARUIYCZFL-IBGZPJMESA-N	1	1	362.433	2.060	20	30		FEEDMO
CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000164451674	546151339	/nfs/dbraw/zinc/15/13/39/546151339.db2.gz	HULCZARUIYCZFL-IBGZPJMESA-N	1	1	362.433	2.060	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000177056933	546535237	/nfs/dbraw/zinc/53/52/37/546535237.db2.gz	AUFPLJNLXKNPEL-MRXNPFEDSA-N	1	1	369.494	2.413	20	30		FEEDMO
N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1	ZINC000177622019	546654972	/nfs/dbraw/zinc/65/49/72/546654972.db2.gz	LVFHZRRIBBQAFA-GOSISDBHSA-N	1	1	367.497	2.256	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)Cc1ccc(C#N)cc1F)C1CCCCC1	ZINC000481015951	561223001	/nfs/dbraw/zinc/22/30/01/561223001.db2.gz	AWFYNXKTYXECHT-UHFFFAOYSA-N	1	1	353.463	2.381	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)nc1	ZINC000178145605	546747244	/nfs/dbraw/zinc/74/72/44/546747244.db2.gz	GJAMKPSTKVEAAP-GOSISDBHSA-N	1	1	367.497	2.256	20	30		FEEDMO
CCN1CCN(c2ccc(CNC(=[NH2+])Nc3ccccn3)cc2F)CC1	ZINC000178570112	546813190	/nfs/dbraw/zinc/81/31/90/546813190.db2.gz	IXXHHZHNWPRSCS-UHFFFAOYSA-N	1	1	356.449	2.289	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)/C=C/c3cncc(O)c3)CC2)cc1	ZINC000179401305	546946232	/nfs/dbraw/zinc/94/62/32/546946232.db2.gz	MERAMINDZXANAL-VOTSOKGWSA-N	1	1	362.433	2.407	20	30		FEEDMO
COc1cccc([C@H]2[C@@H](NS(=O)(=O)CCCC#N)CC[N@@H+]2C2CC2)c1	ZINC000179901343	547027147	/nfs/dbraw/zinc/02/71/47/547027147.db2.gz	CDIUPBQNFLPHLA-ROUUACIJSA-N	1	1	363.483	2.196	20	30		FEEDMO
COc1cccc([C@H]2[C@@H](NS(=O)(=O)CCCC#N)CC[N@H+]2C2CC2)c1	ZINC000179901343	547027151	/nfs/dbraw/zinc/02/71/51/547027151.db2.gz	CDIUPBQNFLPHLA-ROUUACIJSA-N	1	1	363.483	2.196	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180192892	547065271	/nfs/dbraw/zinc/06/52/71/547065271.db2.gz	SILPMEPEIFVNEB-MRXNPFEDSA-N	1	1	350.344	2.458	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000180414770	547105206	/nfs/dbraw/zinc/10/52/06/547105206.db2.gz	UUMMTTZARKIJRD-KBPBESRZSA-N	1	1	372.444	2.405	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1	ZINC000483148903	561268915	/nfs/dbraw/zinc/26/89/15/561268915.db2.gz	DOWQYINOUBPPMT-DYXWJJEUSA-N	1	1	361.482	2.425	20	30		FEEDMO
COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1	ZINC000181186074	547265735	/nfs/dbraw/zinc/26/57/35/547265735.db2.gz	JPGWKLYDWSOLLR-HNNXBMFYSA-N	1	1	367.243	2.067	20	30		FEEDMO
C=CCn1c(SCCCN2CC[NH+](C)CC2)nc2sccc2c1=O	ZINC000181306373	547290561	/nfs/dbraw/zinc/29/05/61/547290561.db2.gz	AXLBQHLXSDMXQP-UHFFFAOYSA-N	1	1	364.540	2.374	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1	ZINC000483369674	561275109	/nfs/dbraw/zinc/27/51/09/561275109.db2.gz	DWBWIURBXNSWTN-DSKINZAPSA-N	1	1	361.482	2.425	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1	ZINC000181640580	547351266	/nfs/dbraw/zinc/35/12/66/547351266.db2.gz	BFQRYOQSJYGFEY-JKSUJKDBSA-N	1	1	362.493	2.309	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CCC([N@@H+](C)CCCO)CC1	ZINC000181762561	547375831	/nfs/dbraw/zinc/37/58/31/547375831.db2.gz	BWPNIKICVCDMMC-UHFFFAOYSA-N	1	1	360.458	2.267	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000181824632	547387265	/nfs/dbraw/zinc/38/72/65/547387265.db2.gz	VGHIJYJVPKZKQU-HOTGVXAUSA-N	1	1	372.469	2.153	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000181872997	547395320	/nfs/dbraw/zinc/39/53/20/547395320.db2.gz	FXFLXTNMHLUKAT-AWEZNQCLSA-N	1	1	369.425	2.018	20	30		FEEDMO
CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1c(C)noc1C	ZINC000182469158	547499404	/nfs/dbraw/zinc/49/94/04/547499404.db2.gz	REYNFCGDPGFLKJ-IRXDYDNUSA-N	1	1	361.490	2.025	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1	ZINC000183186096	547618039	/nfs/dbraw/zinc/61/80/39/547618039.db2.gz	UHVUIRRNVBRNGH-BBWFWOEESA-N	1	1	358.511	2.189	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1	ZINC000184220355	547790442	/nfs/dbraw/zinc/79/04/42/547790442.db2.gz	MRKJQDHCXWUITM-UHFFFAOYSA-N	1	1	373.501	2.495	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000184414250	547822919	/nfs/dbraw/zinc/82/29/19/547822919.db2.gz	LMFCPMWIMOEKOE-MRXNPFEDSA-N	1	1	361.486	2.016	20	30		FEEDMO
CCOC(=O)CC[N@H+](Cc1cccnc1)C[C@H](O)c1ccc(C#N)cc1	ZINC000185243223	547958327	/nfs/dbraw/zinc/95/83/27/547958327.db2.gz	OAMIBTZBNRWWKN-IBGZPJMESA-N	1	1	353.422	2.442	20	30		FEEDMO
C[C@@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)N1CC[NH+](C)CC1	ZINC000186228671	548103383	/nfs/dbraw/zinc/10/33/83/548103383.db2.gz	ROIBTLAMDKEYDI-FZMZJTMJSA-N	1	1	355.269	2.310	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1Cl	ZINC000486022364	561335520	/nfs/dbraw/zinc/33/55/20/561335520.db2.gz	CNGSOJWSAMVDGP-MRXNPFEDSA-N	1	1	363.889	2.301	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1Cl	ZINC000486022364	561335521	/nfs/dbraw/zinc/33/55/21/561335521.db2.gz	CNGSOJWSAMVDGP-MRXNPFEDSA-N	1	1	363.889	2.301	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](N[C@H](C(=O)OC)c2cccc(C#N)c2)[C@H](C)C1	ZINC000187018262	548242157	/nfs/dbraw/zinc/24/21/57/548242157.db2.gz	OFMKHPYOZUMOPA-UXPWSPDFSA-N	1	1	373.497	2.499	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(NC(=O)C2CC2)CC1	ZINC000192889201	548374847	/nfs/dbraw/zinc/37/48/47/548374847.db2.gz	LXNLRJMKJRVZBB-TZQQIIETSA-N	1	1	374.529	2.296	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CNc2ccc(C#N)cc2Cl)C1	ZINC000486548680	561350365	/nfs/dbraw/zinc/35/03/65/561350365.db2.gz	KLQHUKGCBJWPQD-HNNXBMFYSA-N	1	1	364.877	2.097	20	30		FEEDMO
N#Cc1ccc(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1	ZINC000245570505	548948553	/nfs/dbraw/zinc/94/85/53/548948553.db2.gz	ANQPKXGONPBXGC-RTWAWAEBSA-N	1	1	363.461	2.100	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCC[C@H]1C	ZINC000488039319	561382114	/nfs/dbraw/zinc/38/21/14/561382114.db2.gz	AVWOZBVLQXSPBM-QAPCUYQASA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCC[C@H]1C	ZINC000488039319	561382115	/nfs/dbraw/zinc/38/21/15/561382115.db2.gz	AVWOZBVLQXSPBM-QAPCUYQASA-N	1	1	350.484	2.469	20	30		FEEDMO
CN(C(=O)CSCC#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000245715797	548981309	/nfs/dbraw/zinc/98/13/09/548981309.db2.gz	OOSKEMYMULGFSV-IAGOWNOFSA-N	1	1	352.548	2.039	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000246172961	549069033	/nfs/dbraw/zinc/06/90/33/549069033.db2.gz	FUGRKASNJJSLIM-OLZOCXBDSA-N	1	1	362.861	2.387	20	30		FEEDMO
COc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1	ZINC000246203350	549077165	/nfs/dbraw/zinc/07/71/65/549077165.db2.gz	YAMZDMFNPBOUGR-XLIONFOSSA-N	1	1	372.513	2.380	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)C1(C#N)CCCCC1	ZINC000246202622	549077240	/nfs/dbraw/zinc/07/72/40/549077240.db2.gz	BFSUZXKSZBMKDY-FUHWJXTLSA-N	1	1	372.513	2.147	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000246555142	549161550	/nfs/dbraw/zinc/16/15/50/549161550.db2.gz	LMNZPGRKTAQYAH-SJLPKXTDSA-N	1	1	356.470	2.122	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC[C@H]21	ZINC000247171185	549293968	/nfs/dbraw/zinc/29/39/68/549293968.db2.gz	SOPPKQYNQGPRJN-MLGOLLRUSA-N	1	1	360.845	2.093	20	30		FEEDMO
COc1ncccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000247815338	549384539	/nfs/dbraw/zinc/38/45/39/549384539.db2.gz	AVHTULHXGCODEG-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
COc1ncccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000247815338	549384542	/nfs/dbraw/zinc/38/45/42/549384542.db2.gz	AVHTULHXGCODEG-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1	ZINC000489444252	561411402	/nfs/dbraw/zinc/41/14/02/561411402.db2.gz	WDXSDQIYUXLVNA-FQEVSTJZSA-N	1	1	369.509	2.306	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000249084361	549548479	/nfs/dbraw/zinc/54/84/79/549548479.db2.gz	BGPSUGLJZBXHSL-PXNSSMCTSA-N	1	1	359.470	2.304	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000249084361	549548482	/nfs/dbraw/zinc/54/84/82/549548482.db2.gz	BGPSUGLJZBXHSL-PXNSSMCTSA-N	1	1	359.470	2.304	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1C#N	ZINC000249170674	549564679	/nfs/dbraw/zinc/56/46/79/549564679.db2.gz	LFGVRBJVFQDEAE-RHSMWYFYSA-N	1	1	372.469	2.083	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000249225192	549570828	/nfs/dbraw/zinc/57/08/28/549570828.db2.gz	UWCBGEOYWPGVHG-WMLDXEAASA-N	1	1	372.469	2.084	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NCC(=O)Nc2sccc2C#N)[C@@H](C)C1	ZINC000249422644	549589790	/nfs/dbraw/zinc/58/97/90/549589790.db2.gz	HVWQNZXMCKZOBE-HOCLYGCPSA-N	1	1	364.515	2.285	20	30		FEEDMO
CCc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000261722152	549747647	/nfs/dbraw/zinc/74/76/47/549747647.db2.gz	NPZFWVSOAIUKOG-LJQANCHMSA-N	1	1	355.463	2.456	20	30		FEEDMO
C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000262010020	549779821	/nfs/dbraw/zinc/77/98/21/549779821.db2.gz	WJQYZYLBFQEYPU-KBXCAEBGSA-N	1	1	353.470	2.489	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)cc1OC	ZINC000263730610	549927782	/nfs/dbraw/zinc/92/77/82/549927782.db2.gz	GZCCGVUYINUXGN-UGAXZCSASA-N	1	1	373.497	2.025	20	30		FEEDMO
Cc1cc(C)cc(NC(=[NH2+])NCc2ccnc(N3CCN(C)CC3)c2)c1	ZINC000264056077	549973776	/nfs/dbraw/zinc/97/37/76/549973776.db2.gz	ASGXLYZLRWBWIQ-UHFFFAOYSA-N	1	1	352.486	2.377	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000264181518	549988498	/nfs/dbraw/zinc/98/84/98/549988498.db2.gz	KNFMGWQMOURQGH-MRXNPFEDSA-N	1	1	351.491	2.376	20	30		FEEDMO
CCCC[N@@H+](C)CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000491028756	561442079	/nfs/dbraw/zinc/44/20/79/561442079.db2.gz	GCAUWBPDNRYMPZ-UHFFFAOYSA-N	1	1	357.502	2.117	20	30		FEEDMO
CC(C)(C)C[N@H+](CCCO)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1	ZINC000264741296	550000728	/nfs/dbraw/zinc/00/07/28/550000728.db2.gz	UGWPHBPYGJHFRK-HNNXBMFYSA-N	1	1	370.453	2.242	20	30		FEEDMO
CC(C)(C)C[N@@H+](CCCO)CC(=O)[C@H](C#N)c1nc2ccccc2c(=O)[nH]1	ZINC000264741296	550000730	/nfs/dbraw/zinc/00/07/30/550000730.db2.gz	UGWPHBPYGJHFRK-HNNXBMFYSA-N	1	1	370.453	2.242	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)NC1CC[NH+](CCOC)CC1	ZINC000266064592	550016783	/nfs/dbraw/zinc/01/67/83/550016783.db2.gz	BMIPOOBXHHOIDZ-INIZCTEOSA-N	1	1	365.543	2.352	20	30		FEEDMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(OCC#N)c1	ZINC000266383137	550020054	/nfs/dbraw/zinc/02/00/54/550020054.db2.gz	NCKBKHBHPKXXDY-UHFFFAOYSA-N	1	1	359.474	2.079	20	30		FEEDMO
CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2(C)CCOCC2)CC1=O	ZINC000267820429	550034781	/nfs/dbraw/zinc/03/47/81/550034781.db2.gz	XAIKHGRURKAESG-UHFFFAOYSA-N	1	1	354.454	2.463	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1	ZINC000268260350	550041548	/nfs/dbraw/zinc/04/15/48/550041548.db2.gz	KXSZJDCUJXOORJ-ZWKOTPCHSA-N	1	1	353.422	2.356	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1	ZINC000268260350	550041550	/nfs/dbraw/zinc/04/15/50/550041550.db2.gz	KXSZJDCUJXOORJ-ZWKOTPCHSA-N	1	1	353.422	2.356	20	30		FEEDMO
N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1	ZINC000269659810	550214819	/nfs/dbraw/zinc/21/48/19/550214819.db2.gz	XGNHURSFTFBAAU-GOSISDBHSA-N	1	1	353.470	2.009	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1)OCC	ZINC000270233611	550255120	/nfs/dbraw/zinc/25/51/20/550255120.db2.gz	VPDHOGQAUIPETC-LJQANCHMSA-N	1	1	373.497	2.313	20	30		FEEDMO
CN1CC[C@H](CNC(=[NH2+])N2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000270538547	550281718	/nfs/dbraw/zinc/28/17/18/550281718.db2.gz	BGSBAYVQPSYHGW-CJNGLKHVSA-N	1	1	354.857	2.119	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1	ZINC000270954395	550325221	/nfs/dbraw/zinc/32/52/21/550325221.db2.gz	UDKAQWCRFRKBQV-IEBWSBKVSA-N	1	1	368.481	2.327	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1	ZINC000270954395	550325222	/nfs/dbraw/zinc/32/52/22/550325222.db2.gz	UDKAQWCRFRKBQV-IEBWSBKVSA-N	1	1	368.481	2.327	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000494248641	561465663	/nfs/dbraw/zinc/46/56/63/561465663.db2.gz	SVSXWXSYRVTOPR-RTBURBONSA-N	1	1	361.461	2.045	20	30		FEEDMO
CC(C)(O)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1	ZINC000272120470	550424140	/nfs/dbraw/zinc/42/41/40/550424140.db2.gz	SVIDLYPDPYIAMO-UHFFFAOYSA-N	1	1	351.450	2.448	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccccc1Oc1ccccc1C#N	ZINC000272483861	550451820	/nfs/dbraw/zinc/45/18/20/550451820.db2.gz	GWIAXBUIEDGUIO-QGZVFWFLSA-N	1	1	364.449	2.326	20	30		FEEDMO
Cc1ccccc1C[NH+]1CCN(C(=O)CN2CCC(C)(C#N)CC2)CC1	ZINC000272638905	550462222	/nfs/dbraw/zinc/46/22/22/550462222.db2.gz	XGDXHJOMWQWVCA-UHFFFAOYSA-N	1	1	354.498	2.265	20	30		FEEDMO
C=C(C)[C@H]([NH2+]CCNS(=O)(=O)CCCOC)c1ccc(F)c(F)c1	ZINC000274902638	550563486	/nfs/dbraw/zinc/56/34/86/550563486.db2.gz	TVXBHFWFOXAQHB-INIZCTEOSA-N	1	1	362.442	2.128	20	30		FEEDMO
C=CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1	ZINC000275351362	550571857	/nfs/dbraw/zinc/57/18/57/550571857.db2.gz	SEIAKFQZIYYSOF-MOPGFXCFSA-N	1	1	357.498	2.405	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1=CC[N@@H+](C)CC1	ZINC000275938344	550575383	/nfs/dbraw/zinc/57/53/83/550575383.db2.gz	APGHRECMHBRATC-AWEZNQCLSA-N	1	1	354.454	2.193	20	30		FEEDMO
C=CCN(C(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1	ZINC000276203370	550577615	/nfs/dbraw/zinc/57/76/15/550577615.db2.gz	VQYMMQBQVAWZDS-HZPDHXFCSA-N	1	1	371.481	2.411	20	30		FEEDMO
CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000278768466	550819890	/nfs/dbraw/zinc/81/98/90/550819890.db2.gz	LAGBGSPBIJHXTG-LBPRGKRZSA-N	1	1	372.288	2.035	20	30		FEEDMO
CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000278768466	550819892	/nfs/dbraw/zinc/81/98/92/550819892.db2.gz	LAGBGSPBIJHXTG-LBPRGKRZSA-N	1	1	372.288	2.035	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000278837873	550827400	/nfs/dbraw/zinc/82/74/00/550827400.db2.gz	KNBXTUKCZDNPOG-INIZCTEOSA-N	1	1	359.470	2.131	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CC)Cc2ccc(O[C@@H](C)C(=O)OC)cc2)n1	ZINC000278990202	550843978	/nfs/dbraw/zinc/84/39/78/550843978.db2.gz	BCKYYNWUUFQFMH-INIZCTEOSA-N	1	1	355.438	2.479	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CC)Cc2ccc(O[C@@H](C)C(=O)OC)cc2)n1	ZINC000278990202	550843979	/nfs/dbraw/zinc/84/39/79/550843979.db2.gz	BCKYYNWUUFQFMH-INIZCTEOSA-N	1	1	355.438	2.479	20	30		FEEDMO
CCc1[nH]nc(C(=O)N(CCC#N)CCC[NH+](C)C)c1Br	ZINC000279278282	550872649	/nfs/dbraw/zinc/87/26/49/550872649.db2.gz	SKQLBHBLLLXOLW-UHFFFAOYSA-N	1	1	356.268	2.042	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCCO1	ZINC000280006699	550951944	/nfs/dbraw/zinc/95/19/44/550951944.db2.gz	CCZGINBMOIKFBI-OAHLLOKOSA-N	1	1	368.437	2.444	20	30		FEEDMO
Cc1cccc(CC2(O)CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1	ZINC000280237467	550973759	/nfs/dbraw/zinc/97/37/59/550973759.db2.gz	ASVOKUPYQCCINL-HXUWFJFHSA-N	1	1	357.498	2.419	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@](C)(C(N)=O)C1	ZINC000280662328	551018720	/nfs/dbraw/zinc/01/87/20/551018720.db2.gz	FGYQNHSKXACTAH-UGSOOPFHSA-N	1	1	360.483	2.217	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@](C)(C(N)=O)C1	ZINC000280662328	551018722	/nfs/dbraw/zinc/01/87/22/551018722.db2.gz	FGYQNHSKXACTAH-UGSOOPFHSA-N	1	1	360.483	2.217	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000281212796	551074433	/nfs/dbraw/zinc/07/44/33/551074433.db2.gz	DHPSDFTVNKAPHV-PMACEKPBSA-N	1	1	357.498	2.145	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)c2ccccc2Br)C1=O	ZINC000281231054	551076344	/nfs/dbraw/zinc/07/63/44/551076344.db2.gz	FKSAVEFNVNPPCE-CABCVRRESA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccccc2Br)C1=O	ZINC000281231054	551076345	/nfs/dbraw/zinc/07/63/45/551076345.db2.gz	FKSAVEFNVNPPCE-CABCVRRESA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1=O	ZINC000281292331	551081765	/nfs/dbraw/zinc/08/17/65/551081765.db2.gz	JHRGJRXEBKHFBI-OAHLLOKOSA-N	1	1	372.494	2.156	20	30		FEEDMO
Cc1sc(NC(=O)C[NH2+][C@@]2(CO)CCOc3ccccc32)c(C#N)c1C	ZINC000281640292	551123936	/nfs/dbraw/zinc/12/39/36/551123936.db2.gz	IWYDVGCUASJJGB-LJQANCHMSA-N	1	1	371.462	2.435	20	30		FEEDMO
CCn1c(CC2CC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000282955941	551289497	/nfs/dbraw/zinc/28/94/97/551289497.db2.gz	DICMURVQDPPWPG-UHFFFAOYSA-N	1	1	350.470	2.444	20	30		FEEDMO
C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000282960426	551290079	/nfs/dbraw/zinc/29/00/79/551290079.db2.gz	OAKHEDRJGLLYRX-INIZCTEOSA-N	1	1	356.474	2.008	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000282985300	551293638	/nfs/dbraw/zinc/29/36/38/551293638.db2.gz	MJQWZJUPWZSBSP-DLBZAZTESA-N	1	1	364.515	2.062	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000283494091	551376517	/nfs/dbraw/zinc/37/65/17/551376517.db2.gz	DBNKFQWLHSMWME-INIZCTEOSA-N	1	1	362.522	2.161	20	30		FEEDMO
C=CCn1c(N)nnc1SC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000283534512	551383117	/nfs/dbraw/zinc/38/31/17/551383117.db2.gz	MPVHZFFBGFSNGB-MRXNPFEDSA-N	1	1	359.499	2.430	20	30		FEEDMO
CC(C)[N@@H+](CCOCCO)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000283752393	551421722	/nfs/dbraw/zinc/42/17/22/551421722.db2.gz	LCFDBXYSSOCCLH-UHFFFAOYSA-N	1	1	365.499	2.156	20	30		FEEDMO
COc1ccc(NC(=[NH2+])NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)cc1	ZINC000284994836	551685467	/nfs/dbraw/zinc/68/54/67/551685467.db2.gz	HOWDNIYYGNNWCI-KBXCAEBGSA-N	1	1	356.474	2.238	20	30		FEEDMO
C=CCC[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1	ZINC000285332239	551739879	/nfs/dbraw/zinc/73/98/79/551739879.db2.gz	UJOBTSDOPLGXDD-LPHOPBHVSA-N	1	1	355.482	2.411	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1	ZINC000498850737	561535800	/nfs/dbraw/zinc/53/58/00/561535800.db2.gz	BRMMIVGUIUXHEF-ROUUACIJSA-N	1	1	355.463	2.243	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1C[N@H+](C)C[C@H]1c1ccccc1	ZINC000498850737	561535801	/nfs/dbraw/zinc/53/58/01/561535801.db2.gz	BRMMIVGUIUXHEF-ROUUACIJSA-N	1	1	355.463	2.243	20	30		FEEDMO
CN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000285512382	551767824	/nfs/dbraw/zinc/76/78/24/551767824.db2.gz	ODSMSHLDGADZHP-MRXNPFEDSA-N	1	1	358.442	2.440	20	30		FEEDMO
CNC(=O)CC[C@H]1CCCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000286471920	551889824	/nfs/dbraw/zinc/88/98/24/551889824.db2.gz	NTBXMSMHOUAZQA-IEBWSBKVSA-N	1	1	368.481	2.434	20	30		FEEDMO
COc1cc(OC)c2ncc(C#N)c(NCC[N@H+]3CCCOCC3)c2c1	ZINC000286554804	551899497	/nfs/dbraw/zinc/89/94/97/551899497.db2.gz	DVFYTEQAGGLGST-UHFFFAOYSA-N	1	1	356.426	2.258	20	30		FEEDMO
CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCCCC#N	ZINC000286774271	551924649	/nfs/dbraw/zinc/92/46/49/551924649.db2.gz	RDNNNRRPMVAHQA-SFHVURJKSA-N	1	1	370.497	2.213	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000286844521	551932659	/nfs/dbraw/zinc/93/26/59/551932659.db2.gz	KPAJVGKCZPTHOM-HUUCEWRRSA-N	1	1	351.472	2.426	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000286919233	551940365	/nfs/dbraw/zinc/94/03/65/551940365.db2.gz	AWPJPNSOIYZLNP-NHCUHLMSSA-N	1	1	370.541	2.192	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1	ZINC000287156088	551970233	/nfs/dbraw/zinc/97/02/33/551970233.db2.gz	QCBNMILVJQQRRE-HXUWFJFHSA-N	1	1	374.529	2.323	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)CCCCC1	ZINC000288935531	552239476	/nfs/dbraw/zinc/23/94/76/552239476.db2.gz	WHYCQCVVPIZISP-FQEVSTJZSA-N	1	1	373.472	2.395	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)CCCCC1	ZINC000288935531	552239480	/nfs/dbraw/zinc/23/94/80/552239480.db2.gz	WHYCQCVVPIZISP-FQEVSTJZSA-N	1	1	373.472	2.395	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289189382	552279665	/nfs/dbraw/zinc/27/96/65/552279665.db2.gz	QDTKDXQAPXAZTF-HKUYNNGSSA-N	1	1	355.482	2.214	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[N@H+](C)CC3(C)C)C2)n1	ZINC000500509034	561575547	/nfs/dbraw/zinc/57/55/47/561575547.db2.gz	VBOJWCVQFZSLHU-QGZVFWFLSA-N	1	1	355.486	2.031	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@H+]1CCCC[C@H]1C	ZINC000500806201	561583127	/nfs/dbraw/zinc/58/31/27/561583127.db2.gz	FNFWWENIXIFLTH-ZIAGYGMSSA-N	1	1	353.463	2.380	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C	ZINC000290463978	552483143	/nfs/dbraw/zinc/48/31/43/552483143.db2.gz	YMJIBLUCYNQPMR-CQSZACIVSA-N	1	1	360.458	2.129	20	30		FEEDMO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C	ZINC000290888717	552556047	/nfs/dbraw/zinc/55/60/47/552556047.db2.gz	BLSWXMDDWHCPHR-DOTOQJQBSA-N	1	1	357.506	2.421	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1	ZINC000291814576	552664461	/nfs/dbraw/zinc/66/44/61/552664461.db2.gz	NOZRPKIXZIVOJV-RXVVDRJESA-N	1	1	357.498	2.312	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1	ZINC000291814567	552664488	/nfs/dbraw/zinc/66/44/88/552664488.db2.gz	NOZRPKIXZIVOJV-GHTZIAJQSA-N	1	1	357.498	2.312	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(c3ccc(C#N)c(C)n3)CC2)CC1	ZINC000291988953	552681909	/nfs/dbraw/zinc/68/19/09/552681909.db2.gz	QKWJHJWKYSIODW-UHFFFAOYSA-N	1	1	355.486	2.032	20	30		FEEDMO
C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292193588	552703453	/nfs/dbraw/zinc/70/34/53/552703453.db2.gz	NGOMWRLPBPWSOH-APWZRJJASA-N	1	1	364.449	2.453	20	30		FEEDMO
C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292193588	552703455	/nfs/dbraw/zinc/70/34/55/552703455.db2.gz	NGOMWRLPBPWSOH-APWZRJJASA-N	1	1	364.449	2.453	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H](C)O1	ZINC000292552612	552737743	/nfs/dbraw/zinc/73/77/43/552737743.db2.gz	HKPWCDFAPMDQFT-FCEWJHQRSA-N	1	1	370.497	2.338	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H](C)O1	ZINC000292552612	552737744	/nfs/dbraw/zinc/73/77/44/552737744.db2.gz	HKPWCDFAPMDQFT-FCEWJHQRSA-N	1	1	370.497	2.338	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnc(C4OCCO4)s3)C2)nc1	ZINC000292725716	552753036	/nfs/dbraw/zinc/75/30/36/552753036.db2.gz	FULQQOGWZWETGH-ZDUSSCGKSA-N	1	1	358.423	2.108	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnc(C4OCCO4)s3)C2)nc1	ZINC000292725716	552753038	/nfs/dbraw/zinc/75/30/38/552753038.db2.gz	FULQQOGWZWETGH-ZDUSSCGKSA-N	1	1	358.423	2.108	20	30		FEEDMO
C[N@@H+](CCCCC(C)(C)C#N)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000292784313	552758231	/nfs/dbraw/zinc/75/82/31/552758231.db2.gz	QDAASQFDZPPDHK-UHFFFAOYSA-N	1	1	353.488	2.365	20	30		FEEDMO
C=CCCCS(=O)(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000292798200	552759653	/nfs/dbraw/zinc/75/96/53/552759653.db2.gz	ZAFXXNZHLIIUMC-GOSISDBHSA-N	1	1	352.500	2.163	20	30		FEEDMO
N#C[C@H]1CC[C@@H]([NH+]2CCN(CC(=O)N3CCCc4ccccc43)CC2)C1	ZINC000292872783	552767396	/nfs/dbraw/zinc/76/73/96/552767396.db2.gz	SQWIJGOWFMZXJS-PKOBYXMFSA-N	1	1	352.482	2.276	20	30		FEEDMO
C[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@H+](C2CCC2)C1	ZINC000293086550	552787486	/nfs/dbraw/zinc/78/74/86/552787486.db2.gz	AOSPDFALLFTPCK-CYBMUJFWSA-N	1	1	374.872	2.483	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccsc1	ZINC000293101953	552788807	/nfs/dbraw/zinc/78/88/07/552788807.db2.gz	UHTKVTKCTDHIEI-OAHLLOKOSA-N	1	1	353.444	2.340	20	30		FEEDMO
N#Cc1ccsc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000293666684	552845395	/nfs/dbraw/zinc/84/53/95/552845395.db2.gz	MJTIMRYDHVZTOS-DZGCQCFKSA-N	1	1	358.467	2.034	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C	ZINC000294042428	552877549	/nfs/dbraw/zinc/87/75/49/552877549.db2.gz	SRWHFFDZEIRQAN-KRWDZBQOSA-N	1	1	363.889	2.166	20	30		FEEDMO
N#C[C@]1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC12CCCC2	ZINC000294619783	552921127	/nfs/dbraw/zinc/92/11/27/552921127.db2.gz	RMLHYOFWGSNYCP-NRFANRHFSA-N	1	1	367.497	2.184	20	30		FEEDMO
C#CCCOc1ccc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1	ZINC000294931370	552945437	/nfs/dbraw/zinc/94/54/37/552945437.db2.gz	LMPSWPIXUINRGJ-HXUWFJFHSA-N	1	1	357.498	2.091	20	30		FEEDMO
COc1c(C)cnc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)c1C	ZINC000295107324	552959277	/nfs/dbraw/zinc/95/92/77/552959277.db2.gz	HEWRKZGICVRNIH-QGZVFWFLSA-N	1	1	355.438	2.450	20	30		FEEDMO
COc1c(C)c[nH+]c(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)c1C	ZINC000295107324	552959280	/nfs/dbraw/zinc/95/92/80/552959280.db2.gz	HEWRKZGICVRNIH-QGZVFWFLSA-N	1	1	355.438	2.450	20	30		FEEDMO
CC(C)[C@H](C)NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000502177618	561613713	/nfs/dbraw/zinc/61/37/13/561613713.db2.gz	YOBZIGBOFRDZGE-HNNXBMFYSA-N	1	1	356.470	2.369	20	30		FEEDMO
CN(C)C(=O)O[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000296731318	553204209	/nfs/dbraw/zinc/20/42/09/553204209.db2.gz	NZEDMUBQGUSNSJ-AWEZNQCLSA-N	1	1	364.833	2.313	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1	ZINC000296793921	553212456	/nfs/dbraw/zinc/21/24/56/553212456.db2.gz	HSUZNILXAHECGK-UHFFFAOYSA-N	1	1	374.460	2.141	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1	ZINC000296912650	553228622	/nfs/dbraw/zinc/22/86/22/553228622.db2.gz	NUZVYNVJCPEMKJ-UHFFFAOYSA-N	1	1	353.470	2.407	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000297505089	553301547	/nfs/dbraw/zinc/30/15/47/553301547.db2.gz	LSUOETLFHJTQQB-IBGZPJMESA-N	1	1	355.482	2.168	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N(Cc1ccccc1)C[C@H](O)c1ccco1	ZINC000297516009	553303063	/nfs/dbraw/zinc/30/30/63/553303063.db2.gz	PNZLTYUHFBOYQK-IBGZPJMESA-N	1	1	369.465	2.480	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000298032439	553374126	/nfs/dbraw/zinc/37/41/26/553374126.db2.gz	FSZHWNREMIFJOF-SWLSCSKDSA-N	1	1	374.510	2.284	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2	ZINC000298177633	553394558	/nfs/dbraw/zinc/39/45/58/553394558.db2.gz	CZECANQGUYZFIC-NRFANRHFSA-N	1	1	355.482	2.146	20	30		FEEDMO
COc1ccc(O)c(/C=N/Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1	ZINC000298695960	553459954	/nfs/dbraw/zinc/45/99/54/553459954.db2.gz	ZUZSQNGLXAFZDP-PXLXIMEGSA-N	1	1	367.449	2.408	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H](C)C1	ZINC000503898820	561649682	/nfs/dbraw/zinc/64/96/82/561649682.db2.gz	BWUITSJPXGMWAL-IRXDYDNUSA-N	1	1	350.507	2.459	20	30		FEEDMO
Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(C)c1	ZINC000299114051	553517287	/nfs/dbraw/zinc/51/72/87/553517287.db2.gz	ZNMYYHIQMXDLMD-IBGZPJMESA-N	1	1	366.465	2.132	20	30		FEEDMO
Cc1nnc2ccc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cn12	ZINC000299538974	553577897	/nfs/dbraw/zinc/57/78/97/553577897.db2.gz	INDCQQNMNBQPFG-UHFFFAOYSA-N	1	1	374.448	2.258	20	30		FEEDMO
Cc1nnc2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cn12	ZINC000299538974	553577899	/nfs/dbraw/zinc/57/78/99/553577899.db2.gz	INDCQQNMNBQPFG-UHFFFAOYSA-N	1	1	374.448	2.258	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C	ZINC000504533316	561659408	/nfs/dbraw/zinc/65/94/08/561659408.db2.gz	NLWUFGVGAMVIPW-QGZVFWFLSA-N	1	1	371.481	2.184	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C	ZINC000504533316	561659409	/nfs/dbraw/zinc/65/94/09/561659409.db2.gz	NLWUFGVGAMVIPW-QGZVFWFLSA-N	1	1	371.481	2.184	20	30		FEEDMO
C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[N@@H+](C)Cc1ccccc1	ZINC000301393576	553648145	/nfs/dbraw/zinc/64/81/45/553648145.db2.gz	JMHLAEHXNZFEJD-CQSZACIVSA-N	1	1	358.467	2.138	20	30		FEEDMO
N#Cc1cc(N2CCN(c3ccc(N)[nH+]c3)CC2)ncc1Br	ZINC000603281170	553752666	/nfs/dbraw/zinc/75/26/66/553752666.db2.gz	UDRNXADTPAHVFD-UHFFFAOYSA-N	1	1	359.231	2.020	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1C#N	ZINC000311937123	553755269	/nfs/dbraw/zinc/75/52/69/553755269.db2.gz	HGPNOWXARKUYRE-KXBFYZLASA-N	1	1	370.478	2.203	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1C#N	ZINC000311937123	553755270	/nfs/dbraw/zinc/75/52/70/553755270.db2.gz	HGPNOWXARKUYRE-KXBFYZLASA-N	1	1	370.478	2.203	20	30		FEEDMO
N#Cc1cc(Br)ccc1CN1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000315556382	553760421	/nfs/dbraw/zinc/76/04/21/553760421.db2.gz	JJBLWBUYJJCEHT-MRXNPFEDSA-N	1	1	350.260	2.227	20	30		FEEDMO
O=C(CNC(=O)c1cc(-c2ccccc2)on1)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000328676954	553805930	/nfs/dbraw/zinc/80/59/30/553805930.db2.gz	AHXAQNLPEQELGV-MRXNPFEDSA-N	1	1	368.437	2.343	20	30		FEEDMO
O=C(C[N@H+]1CC[C@@H](C2CCOCC2)C1)Nc1cc(-n2cnnn2)ccc1F	ZINC000328801339	553824637	/nfs/dbraw/zinc/82/46/37/553824637.db2.gz	ZDFPJJWKKPTCFH-CQSZACIVSA-N	1	1	374.420	2.138	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)C1	ZINC000328821857	553827889	/nfs/dbraw/zinc/82/78/89/553827889.db2.gz	OYPYKJJZGUSKRN-HOCLYGCPSA-N	1	1	373.453	2.252	20	30		FEEDMO
CN1CCO[C@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]21	ZINC000328927428	553846211	/nfs/dbraw/zinc/84/62/11/553846211.db2.gz	XCRUMAZJIIRKTA-HOTGVXAUSA-N	1	1	374.510	2.491	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)C[C@H]1[NH+]1CCOCC1	ZINC000328931542	553847471	/nfs/dbraw/zinc/84/74/71/553847471.db2.gz	HXEUQMBQJRLSDI-VQHPVUNQSA-N	1	1	353.507	2.147	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(N2CCCS2(=O)=O)c1	ZINC000328955028	553852623	/nfs/dbraw/zinc/85/26/23/553852623.db2.gz	YQSCZLINNLQRHB-SJORKVTESA-N	1	1	363.483	2.158	20	30		FEEDMO
C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cnc2ccc(C#N)cn12	ZINC000506000160	561687202	/nfs/dbraw/zinc/68/72/02/561687202.db2.gz	WSAWZKASRWIKAB-ZDUSSCGKSA-N	1	1	369.450	2.046	20	30		FEEDMO
C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12	ZINC000506000160	561687203	/nfs/dbraw/zinc/68/72/03/561687203.db2.gz	WSAWZKASRWIKAB-ZDUSSCGKSA-N	1	1	369.450	2.046	20	30		FEEDMO
CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCOC3(CCCCC3)C2)[N@@H+](C)C1	ZINC000328994887	553861080	/nfs/dbraw/zinc/86/10/80/553861080.db2.gz	GGJWHFXXFBDLAI-IKGGRYGDSA-N	1	1	353.507	2.433	20	30		FEEDMO
Cc1noc([C@H](NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)C2CCOCC2)n1	ZINC000329024621	553867239	/nfs/dbraw/zinc/86/72/39/553867239.db2.gz	JCMCAOGQSDTVRZ-XJKSGUPXSA-N	1	1	365.478	2.081	20	30		FEEDMO
CNC(=O)Cc1noc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)n1	ZINC000329101413	553880583	/nfs/dbraw/zinc/88/05/83/553880583.db2.gz	ZRNXEVAETATNHQ-PMPSAXMXSA-N	1	1	356.426	2.203	20	30		FEEDMO
CN1CCO[C@H]2CN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)C[C@H]21	ZINC000329106958	553881366	/nfs/dbraw/zinc/88/13/66/553881366.db2.gz	DQKAMRDPNSPWLD-OLZOCXBDSA-N	1	1	351.357	2.061	20	30		FEEDMO
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000329107225	553881520	/nfs/dbraw/zinc/88/15/20/553881520.db2.gz	HWFDVADAVRMFFB-QWFCFKBJSA-N	1	1	360.454	2.182	20	30		FEEDMO
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000329107225	553881521	/nfs/dbraw/zinc/88/15/21/553881521.db2.gz	HWFDVADAVRMFFB-QWFCFKBJSA-N	1	1	360.454	2.182	20	30		FEEDMO
NC(=O)[C@]1(O)CCCN(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1	ZINC000329113225	553882605	/nfs/dbraw/zinc/88/26/05/553882605.db2.gz	HIWXDRUCTYSVMV-LPHOPBHVSA-N	1	1	366.506	2.307	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1	ZINC000329140058	553887947	/nfs/dbraw/zinc/88/79/47/553887947.db2.gz	JEJRCBJPPUFUGA-INMHGKMJSA-N	1	1	350.507	2.152	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000329168792	553894106	/nfs/dbraw/zinc/89/41/06/553894106.db2.gz	IXDGAZBFNOLHPY-ZSYWTGECSA-N	1	1	365.518	2.433	20	30		FEEDMO
CC(C)[C@H](C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)[NH+]1CCCCC1	ZINC000329183705	553897222	/nfs/dbraw/zinc/89/72/22/553897222.db2.gz	FQXDTGNQECZQJX-NUJGCVRESA-N	1	1	372.531	2.190	20	30		FEEDMO
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000329310402	553922375	/nfs/dbraw/zinc/92/23/75/553922375.db2.gz	QWDYKMSFSODEQK-CYBMUJFWSA-N	1	1	355.442	2.308	20	30		FEEDMO
O=C(NCc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000329307261	553922639	/nfs/dbraw/zinc/92/26/39/553922639.db2.gz	PMVKPNCZNQIBIL-GFCCVEGCSA-N	1	1	351.834	2.352	20	30		FEEDMO
CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)no1	ZINC000329322749	553925294	/nfs/dbraw/zinc/92/52/94/553925294.db2.gz	JQYAKDQZVTVBCI-ILXRZTDVSA-N	1	1	363.462	2.107	20	30		FEEDMO
C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)N1CCOCC1	ZINC000329366389	553933093	/nfs/dbraw/zinc/93/30/93/553933093.db2.gz	IMIUWHUFVUSCMM-FUHWJXTLSA-N	1	1	359.470	2.245	20	30		FEEDMO
C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N1CCOCC1	ZINC000329366389	553933096	/nfs/dbraw/zinc/93/30/96/553933096.db2.gz	IMIUWHUFVUSCMM-FUHWJXTLSA-N	1	1	359.470	2.245	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(NC(=O)c2ccc([C@H]3CCCOC3)cc2)CC1	ZINC000329400525	553939501	/nfs/dbraw/zinc/93/95/01/553939501.db2.gz	XUUZBINBTGMAMS-KRWDZBQOSA-N	1	1	359.470	2.361	20	30		FEEDMO
CC(C)C[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CCO1	ZINC000329453192	553950001	/nfs/dbraw/zinc/95/00/01/553950001.db2.gz	NOPKJKJIFZXHNV-MLHJIOFPSA-N	1	1	353.507	2.147	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4F)C3=O)[C@@H]2C1	ZINC000329464659	553951866	/nfs/dbraw/zinc/95/18/66/553951866.db2.gz	VDHNJWKYMHPDDF-QGPMSJSTSA-N	1	1	374.460	2.261	20	30		FEEDMO
COc1ccc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1N1CCCC1=O	ZINC000329471333	553952604	/nfs/dbraw/zinc/95/26/04/553952604.db2.gz	ZLTQJORQQIUDFB-WMLDXEAASA-N	1	1	372.469	2.394	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000329502543	553959069	/nfs/dbraw/zinc/95/90/69/553959069.db2.gz	YWAKBUXICLCSFI-DLBZAZTESA-N	1	1	350.507	2.109	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@H]2c2ccnn2C)C1	ZINC000329514755	553960621	/nfs/dbraw/zinc/96/06/21/553960621.db2.gz	YGAGEUKAWJTVQK-AEFFLSMTSA-N	1	1	363.506	2.218	20	30		FEEDMO
C[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)NC(=O)C1CCCC1	ZINC000329573679	553970221	/nfs/dbraw/zinc/97/02/21/553970221.db2.gz	NKFJNJXNTXTDHP-ZMSDIMECSA-N	1	1	351.491	2.233	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)CC3CCOCC3)cc2)CC1	ZINC000329659232	553983943	/nfs/dbraw/zinc/98/39/43/553983943.db2.gz	NZUHXFJNBHNEEW-UHFFFAOYSA-N	1	1	359.470	2.347	20	30		FEEDMO
C[C@H](NC(=O)N1CCC[C@H](CNC(N)=O)C1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000329705255	553992806	/nfs/dbraw/zinc/99/28/06/553992806.db2.gz	KCHVWTTUINHZLU-XHSDSOJGSA-N	1	1	365.522	2.348	20	30		FEEDMO
COC1CCC(CCNC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CC1	ZINC000329724487	553996139	/nfs/dbraw/zinc/99/61/39/553996139.db2.gz	BPBPQYQWRRBJPA-FCCDEINASA-N	1	1	353.507	2.148	20	30		FEEDMO
CC[C@@H]1CN(C(=O)[C@H](NC(C)=O)C2CCCC2)C[C@H]1[NH+]1CCOCC1	ZINC000329750537	553999668	/nfs/dbraw/zinc/99/96/68/553999668.db2.gz	VBEIKUVPESBXFD-KBAYOESNSA-N	1	1	351.491	2.091	20	30		FEEDMO
C[C@@H]1C[C@H](CCNC(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)CCO1	ZINC000329753455	554000295	/nfs/dbraw/zinc/00/02/95/554000295.db2.gz	KAIODPNPQBXJMI-BRWVUGGUSA-N	1	1	353.507	2.291	20	30		FEEDMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000329776703	554004072	/nfs/dbraw/zinc/00/40/72/554004072.db2.gz	KDBFPKDOYAJWBE-YESZJQIVSA-N	1	1	352.475	2.030	20	30		FEEDMO
Cc1nc(CCNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cs1	ZINC000329833275	554015159	/nfs/dbraw/zinc/01/51/59/554015159.db2.gz	UENMVGKGPITCAW-INIZCTEOSA-N	1	1	352.504	2.095	20	30		FEEDMO
CC[C@@H]1CN(C(=O)[C@@H](CC2CCC2)NC(C)=O)C[C@@H]1[NH+]1CCOCC1	ZINC000329908807	554029156	/nfs/dbraw/zinc/02/91/56/554029156.db2.gz	UOGFDVRUWBUAPI-KURKYZTESA-N	1	1	351.491	2.091	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCO[C@H](c3nnc(C(C)C)o3)C2)C1	ZINC000329932586	554034499	/nfs/dbraw/zinc/03/44/99/554034499.db2.gz	IUQRPPZTJIRUOS-CABCVRRESA-N	1	1	365.478	2.212	20	30		FEEDMO
Cc1c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cnn1-c1ccc(=O)[nH]n1	ZINC000329940306	554035380	/nfs/dbraw/zinc/03/53/80/554035380.db2.gz	GDNINQJAOMAAQC-UHFFFAOYSA-N	1	1	358.446	2.103	20	30		FEEDMO
CN(Cc1ccccc1NC(=O)[C@@H]1CCCN1C)C(=O)[C@@H]1CCC[N@H+]1C	ZINC000329959221	554039187	/nfs/dbraw/zinc/03/91/87/554039187.db2.gz	QMKDHWJGLHBBRT-ROUUACIJSA-N	1	1	358.486	2.421	20	30		FEEDMO
CCN1C(=O)CC[C@H](C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)[C@@H]1c1cnn(C)c1	ZINC000329965015	554040374	/nfs/dbraw/zinc/04/03/74/554040374.db2.gz	UERSEVSTDSSAJZ-LJHODMEESA-N	1	1	373.501	2.327	20	30		FEEDMO
CC(=O)N1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C1	ZINC000329980982	554043383	/nfs/dbraw/zinc/04/33/83/554043383.db2.gz	MJWLVGUUWUULAQ-LPHOPBHVSA-N	1	1	358.486	2.118	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC(c2nnc3n2CCCC3)CC1	ZINC000330020828	554050917	/nfs/dbraw/zinc/05/09/17/554050917.db2.gz	AOLWOGLQHUXPCM-SJORKVTESA-N	1	1	372.517	2.335	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C[N@H+]1Cc1ccccc1	ZINC000330041731	554053744	/nfs/dbraw/zinc/05/37/44/554053744.db2.gz	DFZGNYHVQFWMMF-PVAVHDDUSA-N	1	1	355.442	2.207	20	30		FEEDMO
O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(c2nnc3n2CCCC3)CC1	ZINC000330092744	554063415	/nfs/dbraw/zinc/06/34/15/554063415.db2.gz	QZKYPJFXMGRJTA-HNNXBMFYSA-N	1	1	372.517	2.192	20	30		FEEDMO
O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC(c2nnc3n2CCCC3)CC1	ZINC000330092745	554063503	/nfs/dbraw/zinc/06/35/03/554063503.db2.gz	QZKYPJFXMGRJTA-OAHLLOKOSA-N	1	1	372.517	2.192	20	30		FEEDMO
CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C)CC[N@H+]1CCOC	ZINC000507810779	561741634	/nfs/dbraw/zinc/74/16/34/561741634.db2.gz	VLTIHNWCOSEHNY-SFHVURJKSA-N	1	1	368.485	2.291	20	30		FEEDMO
CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2cnc(C)c(C#N)c2)C1	ZINC000330195334	554082570	/nfs/dbraw/zinc/08/25/70/554082570.db2.gz	PCILKKIOBYDANH-OAHLLOKOSA-N	1	1	359.455	2.046	20	30		FEEDMO
Cc1ccnc(OC2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)c1	ZINC000330201526	554084220	/nfs/dbraw/zinc/08/42/20/554084220.db2.gz	XXKDCCYHZOJJBA-OAHLLOKOSA-N	1	1	355.442	2.359	20	30		FEEDMO
COc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)ccc1NS(C)(=O)=O	ZINC000330251608	554093615	/nfs/dbraw/zinc/09/36/15/554093615.db2.gz	HTWXOIMBDGGFAA-CQSZACIVSA-N	1	1	353.444	2.282	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2ccc3c(c2)N(C)CCO3)C[C@@H]1[NH+]1CCOCC1	ZINC000330256158	554094204	/nfs/dbraw/zinc/09/42/04/554094204.db2.gz	KKGBLRKOZQBPEO-YJBOKZPZSA-N	1	1	374.485	2.103	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)NCc2cc(C)nc(N3CCCC3)n2)C[C@@H]1C	ZINC000330258479	554094452	/nfs/dbraw/zinc/09/44/52/554094452.db2.gz	MLXQLYMBTFOIFR-HOTGVXAUSA-N	1	1	360.506	2.214	20	30		FEEDMO
N#Cc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1	ZINC000507756519	561739875	/nfs/dbraw/zinc/73/98/75/561739875.db2.gz	RQLRVJULNJIXAE-QGZVFWFLSA-N	1	1	355.413	2.259	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C	ZINC000330337547	554107470	/nfs/dbraw/zinc/10/74/70/554107470.db2.gz	UDABUAJPJQIQER-RYQLBKOJSA-N	1	1	363.506	2.327	20	30		FEEDMO
CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](O)C23CCCC3)CC1	ZINC000330345233	554109032	/nfs/dbraw/zinc/10/90/32/554109032.db2.gz	DXMVHSAUPCFQJL-INIZCTEOSA-N	1	1	366.506	2.111	20	30		FEEDMO
CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1	ZINC000330372940	554112601	/nfs/dbraw/zinc/11/26/01/554112601.db2.gz	KQWDTFYGDSFCEF-GFCCVEGCSA-N	1	1	361.389	2.340	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1	ZINC000330372940	554112603	/nfs/dbraw/zinc/11/26/03/554112603.db2.gz	KQWDTFYGDSFCEF-GFCCVEGCSA-N	1	1	361.389	2.340	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000330385921	554114383	/nfs/dbraw/zinc/11/43/83/554114383.db2.gz	LSLXXITWTRUDBM-SQNIBIBYSA-N	1	1	370.563	2.299	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)[C@@H](C)C1	ZINC000330588415	554142050	/nfs/dbraw/zinc/14/20/50/554142050.db2.gz	YUWLLHFCSIUFLW-SUMWQHHRSA-N	1	1	353.463	2.189	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21	ZINC000330894401	554183793	/nfs/dbraw/zinc/18/37/93/554183793.db2.gz	ZPCHGQBKXSBEIE-AAEUAGOBSA-N	1	1	359.517	2.199	20	30		FEEDMO
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C	ZINC000330895578	554184752	/nfs/dbraw/zinc/18/47/52/554184752.db2.gz	SBRQSRONVZTJJA-KBPBESRZSA-N	1	1	362.474	2.357	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(S(C)(=O)=O)s2)[C@H](C)C1	ZINC000330950326	554193085	/nfs/dbraw/zinc/19/30/85/554193085.db2.gz	JLLMOQHUVOIHRB-OCCSQVGLSA-N	1	1	373.544	2.228	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(C(N)=O)cc1F	ZINC000331310177	554245538	/nfs/dbraw/zinc/24/55/38/554245538.db2.gz	YQGXHKJMTAMJBK-NSHDSACASA-N	1	1	352.410	2.032	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cn(C)nc2C(F)(F)F)CC[N@@H+]1CCOC	ZINC000331323808	554246913	/nfs/dbraw/zinc/24/69/13/554246913.db2.gz	MRIFZDMCYGANHR-LLVKDONJSA-N	1	1	363.384	2.027	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cn(C)nc2C(F)(F)F)CC[N@H+]1CCOC	ZINC000331323808	554246916	/nfs/dbraw/zinc/24/69/16/554246916.db2.gz	MRIFZDMCYGANHR-LLVKDONJSA-N	1	1	363.384	2.027	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](F)C[C@H]3CO)sc2C1	ZINC000331443734	554265535	/nfs/dbraw/zinc/26/55/35/554265535.db2.gz	IFFIVLSXUOXWIR-AVGNSLFASA-N	1	1	365.474	2.478	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@@H](F)C[C@H]3CO)sc2C1	ZINC000331443734	554265538	/nfs/dbraw/zinc/26/55/38/554265538.db2.gz	IFFIVLSXUOXWIR-AVGNSLFASA-N	1	1	365.474	2.478	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000331471795	554270250	/nfs/dbraw/zinc/27/02/50/554270250.db2.gz	IGBCGDJQMLKWSZ-BMIGLBTASA-N	1	1	373.400	2.338	20	30		FEEDMO
C=CCn1c(Cc2ccsc2)nnc1N1CC[NH+](CCOCC)CC1	ZINC000508997806	561780601	/nfs/dbraw/zinc/78/06/01/561780601.db2.gz	BHURFYWBXZEMKU-UHFFFAOYSA-N	1	1	361.515	2.275	20	30		FEEDMO
C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000331531394	554281087	/nfs/dbraw/zinc/28/10/87/554281087.db2.gz	OYJVKFFRADELLB-IBGZPJMESA-N	1	1	355.482	2.448	20	30		FEEDMO
C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000331531399	554281095	/nfs/dbraw/zinc/28/10/95/554281095.db2.gz	OYJVKFFRADELLB-LJQANCHMSA-N	1	1	355.482	2.448	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1	ZINC000331998124	554360439	/nfs/dbraw/zinc/36/04/39/554360439.db2.gz	BLFJYDWXNVSKEU-HOTGVXAUSA-N	1	1	357.454	2.037	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@H](C)[N@H+](C)C[C@@H]3C)C2)n1	ZINC000509673213	561809909	/nfs/dbraw/zinc/80/99/09/561809909.db2.gz	YJPSJPKOSZPUIK-BQFCYCMXSA-N	1	1	355.486	2.029	20	30		FEEDMO
Cc1ccccc1C[NH+]1CCC(NC(=O)N=c2[nH]n(C)cc2C#N)CC1	ZINC000610565109	554530628	/nfs/dbraw/zinc/53/06/28/554530628.db2.gz	ZSTWVAIHRJXZFQ-UHFFFAOYSA-N	1	1	352.442	2.386	20	30		FEEDMO
C=CCNC(=O)Cc1noc(-c2cnn(-c3cc[nH+]cc3)c2C(F)F)n1	ZINC000350195319	554766548	/nfs/dbraw/zinc/76/65/48/554766548.db2.gz	DQNIAHREALWGRS-UHFFFAOYSA-N	1	1	360.324	2.100	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000613157138	554893911	/nfs/dbraw/zinc/89/39/11/554893911.db2.gz	NSQVLCZNIFXZGY-MRXNPFEDSA-N	1	1	365.441	2.053	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1	ZINC000362710095	554983218	/nfs/dbraw/zinc/98/32/18/554983218.db2.gz	HXHJZUFAOGDMTB-VQIMIIECSA-N	1	1	356.470	2.373	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCCN(C(=O)c3ccc[nH]3)CC2)cc1	ZINC000363200664	555052104	/nfs/dbraw/zinc/05/21/04/555052104.db2.gz	NXUCLCLLCSSRLL-UHFFFAOYSA-N	1	1	365.437	2.063	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c1	ZINC000363250079	555063415	/nfs/dbraw/zinc/06/34/15/555063415.db2.gz	ISJXMYASEGCKLY-MAUKXSAKSA-N	1	1	367.474	2.477	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C	ZINC000363418149	555100629	/nfs/dbraw/zinc/10/06/29/555100629.db2.gz	MVIXZKQAVXEZDU-RNIPGJKVSA-N	1	1	371.481	2.331	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)CCc1ccc(C#N)cc1	ZINC000363424119	555102319	/nfs/dbraw/zinc/10/23/19/555102319.db2.gz	OSVXWEXWXJLWKZ-UXPWSPDFSA-N	1	1	355.482	2.496	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1	ZINC000363457797	555110895	/nfs/dbraw/zinc/11/08/95/555110895.db2.gz	OHJWRHRWULABEM-UHFFFAOYSA-N	1	1	365.437	2.063	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc(OCC#N)cc1	ZINC000363663957	555159119	/nfs/dbraw/zinc/15/91/19/555159119.db2.gz	VYGHXMJIHWCEGB-NSISKUIASA-N	1	1	371.481	2.137	20	30		FEEDMO
COC(=O)c1cn([C@@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)nn1	ZINC000364008382	555232795	/nfs/dbraw/zinc/23/27/95/555232795.db2.gz	ZAMHSSLIRXJRRW-MRXNPFEDSA-N	1	1	358.829	2.407	20	30		FEEDMO
COC(=O)c1cn([C@@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)nn1	ZINC000364008382	555232797	/nfs/dbraw/zinc/23/27/97/555232797.db2.gz	ZAMHSSLIRXJRRW-MRXNPFEDSA-N	1	1	358.829	2.407	20	30		FEEDMO
COCc1nccc([C@H]2CCC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)n1	ZINC000364406235	555307713	/nfs/dbraw/zinc/30/77/13/555307713.db2.gz	RTZCAFNFMUGKPA-HKUYNNGSSA-N	1	1	352.438	2.408	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O	ZINC000364434592	555313456	/nfs/dbraw/zinc/31/34/56/555313456.db2.gz	NNPZYNIIESYWPF-VFNWGFHPSA-N	1	1	366.465	2.313	20	30		FEEDMO
C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3CCC(C)(C#N)CC3)CC2)C1	ZINC000364746858	555392948	/nfs/dbraw/zinc/39/29/48/555392948.db2.gz	UQSSDMIQWYLJOE-QGZVFWFLSA-N	1	1	374.529	2.109	20	30		FEEDMO
Cc1c(C#N)cccc1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000512664649	561911719	/nfs/dbraw/zinc/91/17/19/561911719.db2.gz	FMOCMFDQJVOVTP-UHFFFAOYSA-N	1	1	363.465	2.204	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](CCOCC(F)(F)C(F)F)CC1	ZINC000364963592	555451829	/nfs/dbraw/zinc/45/18/29/555451829.db2.gz	UGEIWJYPFUHWAU-UHFFFAOYSA-N	1	1	360.355	2.382	20	30		FEEDMO
C[C@]1(C2CC[NH+](Cc3ccc(F)c(C#N)c3Cl)CC2)NC(=O)NC1=O	ZINC000365456514	555580911	/nfs/dbraw/zinc/58/09/11/555580911.db2.gz	HSNCQFKUGITHEX-QGZVFWFLSA-N	1	1	364.808	2.161	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCN(c2cnccn2)CC1	ZINC000365510019	555594681	/nfs/dbraw/zinc/59/46/81/555594681.db2.gz	FOKFOWJUIHSOOH-UHFFFAOYSA-N	1	1	370.482	2.339	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1	ZINC000365545797	555605164	/nfs/dbraw/zinc/60/51/64/555605164.db2.gz	KGCNJXGEEPVJAS-IPELMVKDSA-N	1	1	368.481	2.151	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@H]2[C@@H]1c1ccccc1	ZINC000365689739	555641376	/nfs/dbraw/zinc/64/13/76/555641376.db2.gz	BQUIMHYZVURWOX-RLLQIKCJSA-N	1	1	374.444	2.258	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC(O)(Cc2ccccc2F)CC1)C1CC1	ZINC000365867405	555687984	/nfs/dbraw/zinc/68/79/84/555687984.db2.gz	YWHYLWLFVNDAAC-IBGZPJMESA-N	1	1	359.445	2.004	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1	ZINC000365925479	555702443	/nfs/dbraw/zinc/70/24/43/555702443.db2.gz	WYSOPOYUAYPTFY-WMZOPIPTSA-N	1	1	367.497	2.405	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH2+][C@@H](c2ccccc2)C1	ZINC000514583378	561967708	/nfs/dbraw/zinc/96/77/08/561967708.db2.gz	VVZKJRAHWITYGL-LJQANCHMSA-N	1	1	364.449	2.381	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+](C)[C@@H](c1ccc(F)cc1)c1cnccn1	ZINC000367497485	556066975	/nfs/dbraw/zinc/06/69/75/556066975.db2.gz	WQVRGSVWOPAMEK-IBGZPJMESA-N	1	1	355.417	2.399	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](C)[C@@H](c1ccc(F)cc1)c1cnccn1	ZINC000367497485	556066977	/nfs/dbraw/zinc/06/69/77/556066977.db2.gz	WQVRGSVWOPAMEK-IBGZPJMESA-N	1	1	355.417	2.399	20	30		FEEDMO
COCC[N@@H+]([C@@H]1CCO[C@H]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000514838990	561982483	/nfs/dbraw/zinc/98/24/83/561982483.db2.gz	UDCJNTVWYLZFIA-KFKAGJAMSA-N	1	1	357.454	2.179	20	30		FEEDMO
CN(C(=O)c1cc(C#N)ccc1Cl)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000367586396	556089966	/nfs/dbraw/zinc/08/99/66/556089966.db2.gz	OVQRFJRWESIMTF-INIZCTEOSA-N	1	1	360.889	2.452	20	30		FEEDMO
CN(C(=O)c1cc(C#N)ccc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000367586396	556089969	/nfs/dbraw/zinc/08/99/69/556089969.db2.gz	OVQRFJRWESIMTF-INIZCTEOSA-N	1	1	360.889	2.452	20	30		FEEDMO
C[C@H](CO)[N@H+]1CCCN(Cc2ccc(Br)cc2C#N)CC1	ZINC000367874729	556161552	/nfs/dbraw/zinc/16/15/52/556161552.db2.gz	PMHRZDJQMQKCTJ-CYBMUJFWSA-N	1	1	352.276	2.209	20	30		FEEDMO
COC(=O)c1cc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)n(C)c1C	ZINC000368282493	556267104	/nfs/dbraw/zinc/26/71/04/556267104.db2.gz	SLMYNPNNQZZYKM-UHFFFAOYSA-N	1	1	367.453	2.099	20	30		FEEDMO
COC(=O)c1cc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)n(C)c1C	ZINC000368282493	556267107	/nfs/dbraw/zinc/26/71/07/556267107.db2.gz	SLMYNPNNQZZYKM-UHFFFAOYSA-N	1	1	367.453	2.099	20	30		FEEDMO
C[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ccccc1C#N	ZINC000368417262	556302269	/nfs/dbraw/zinc/30/22/69/556302269.db2.gz	QMESTDBXNWCCAR-RNIPGJKVSA-N	1	1	370.497	2.364	20	30		FEEDMO
C[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ccccc1C#N	ZINC000368417262	556302270	/nfs/dbraw/zinc/30/22/70/556302270.db2.gz	QMESTDBXNWCCAR-RNIPGJKVSA-N	1	1	370.497	2.364	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000368669282	556379870	/nfs/dbraw/zinc/37/98/70/556379870.db2.gz	ODHDQIKBESKVHU-RTBURBONSA-N	1	1	368.481	2.040	20	30		FEEDMO
CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000368669279	556379925	/nfs/dbraw/zinc/37/99/25/556379925.db2.gz	ODHDQIKBESKVHU-MOPGFXCFSA-N	1	1	368.481	2.040	20	30		FEEDMO
CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1	ZINC000368672130	556381486	/nfs/dbraw/zinc/38/14/86/556381486.db2.gz	YIEFRHCYDUGJRW-ROUUACIJSA-N	1	1	354.454	2.362	20	30		FEEDMO
CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1	ZINC000368672130	556381492	/nfs/dbraw/zinc/38/14/92/556381492.db2.gz	YIEFRHCYDUGJRW-ROUUACIJSA-N	1	1	354.454	2.362	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1	ZINC000368976507	556465334	/nfs/dbraw/zinc/46/53/34/556465334.db2.gz	WVMFRFIHZWIKOS-PBWTXFEYSA-N	1	1	368.481	2.216	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1	ZINC000368976507	556465337	/nfs/dbraw/zinc/46/53/37/556465337.db2.gz	WVMFRFIHZWIKOS-PBWTXFEYSA-N	1	1	368.481	2.216	20	30		FEEDMO
CN(CCOCc1ccc(C#N)cc1)C(=O)Cn1c[nH+]c2c1CCCC2	ZINC000515930026	562025933	/nfs/dbraw/zinc/02/59/33/562025933.db2.gz	VHINZFFEUNVSNL-UHFFFAOYSA-N	1	1	352.438	2.309	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000515952955	562026379	/nfs/dbraw/zinc/02/63/79/562026379.db2.gz	RNENVTIVYJQPBY-GOSISDBHSA-N	1	1	370.501	2.049	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1	ZINC000515970346	562026825	/nfs/dbraw/zinc/02/68/25/562026825.db2.gz	MGFPQBBKOUUFCZ-QUCCMNQESA-N	1	1	373.497	2.435	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000369372560	556583030	/nfs/dbraw/zinc/58/30/30/556583030.db2.gz	JZVRRBUBYUNKDW-SFHVURJKSA-N	1	1	372.513	2.219	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000369372560	556583033	/nfs/dbraw/zinc/58/30/33/556583033.db2.gz	JZVRRBUBYUNKDW-SFHVURJKSA-N	1	1	372.513	2.219	20	30		FEEDMO
Cn1c(CC[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)nc2ccccc21	ZINC000369515850	556617345	/nfs/dbraw/zinc/61/73/45/556617345.db2.gz	JVWIPNNBWYUCCU-IVZQSRNASA-N	1	1	371.444	2.461	20	30		FEEDMO
Cn1c(CC[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)nc2ccccc21	ZINC000369515850	556617347	/nfs/dbraw/zinc/61/73/47/556617347.db2.gz	JVWIPNNBWYUCCU-IVZQSRNASA-N	1	1	371.444	2.461	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C	ZINC000369682575	556667501	/nfs/dbraw/zinc/66/75/01/556667501.db2.gz	FRQVKZJZXYZOSJ-NTZUZEMLSA-N	1	1	350.503	2.363	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)NCC1([NH+]2CCOCC2)CCCC1	ZINC000369689446	556669296	/nfs/dbraw/zinc/66/92/96/556669296.db2.gz	YQHWGVFBBGZFLI-INIZCTEOSA-N	1	1	357.454	2.087	20	30		FEEDMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)N[C@](C)(C#N)C1CC1	ZINC000370009013	556756034	/nfs/dbraw/zinc/75/60/34/556756034.db2.gz	JMMBKPDNRJWWNK-LAUBAEHRSA-N	1	1	354.498	2.391	20	30		FEEDMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000370009014	556756368	/nfs/dbraw/zinc/75/63/68/556756368.db2.gz	JMMBKPDNRJWWNK-UTKZUKDTSA-N	1	1	354.498	2.391	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1	ZINC000370231800	556817948	/nfs/dbraw/zinc/81/79/48/556817948.db2.gz	FVYIAHAQUAZXCH-YMCCZSAESA-N	1	1	369.469	2.213	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000370695705	556942713	/nfs/dbraw/zinc/94/27/13/556942713.db2.gz	CKRJLLVLAFXEOZ-SIKLNZKXSA-N	1	1	369.557	2.494	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000370695705	556942715	/nfs/dbraw/zinc/94/27/15/556942715.db2.gz	CKRJLLVLAFXEOZ-SIKLNZKXSA-N	1	1	369.557	2.494	20	30		FEEDMO
Cn1cc([C@@H]2[C@@H](CNC(=O)CCc3ccc(C#N)cc3)CCC[N@H+]2C)cn1	ZINC000370905501	557010591	/nfs/dbraw/zinc/01/05/91/557010591.db2.gz	PSIDMGXHFBKIMD-NQIIRXRSSA-N	1	1	365.481	2.424	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C3(C#N)CCOCC3)[C@H](C)C2)s1	ZINC000370960505	557028598	/nfs/dbraw/zinc/02/85/98/557028598.db2.gz	GTFSFGGPMVTZAS-CZUORRHYSA-N	1	1	362.499	2.099	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@H+]2CCOC[C@@H]2C)CC1	ZINC000517214123	562079755	/nfs/dbraw/zinc/07/97/55/562079755.db2.gz	ZFFCYBABMWKHNW-HOTGVXAUSA-N	1	1	356.470	2.070	20	30		FEEDMO
C=C(C)COc1cc(C[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)ccc1OC	ZINC000371327624	557147412	/nfs/dbraw/zinc/14/74/12/557147412.db2.gz	OHPGWSGQAUYQSG-INIZCTEOSA-N	1	1	368.499	2.164	20	30		FEEDMO
C=C(C)COc1cc(C[N@@H+]2CCC[C@H](S(=O)(=O)NC)C2)ccc1OC	ZINC000371327624	557147415	/nfs/dbraw/zinc/14/74/15/557147415.db2.gz	OHPGWSGQAUYQSG-INIZCTEOSA-N	1	1	368.499	2.164	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NCc2[nH+]c(C)n3c2CCCC3)c1	ZINC000371426988	557183524	/nfs/dbraw/zinc/18/35/24/557183524.db2.gz	RZGJTQPBHGWCJC-UHFFFAOYSA-N	1	1	368.437	2.348	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1	ZINC000518559618	562114275	/nfs/dbraw/zinc/11/42/75/562114275.db2.gz	CLDYYUIICJYWGP-HUUCEWRRSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1	ZINC000518559618	562114276	/nfs/dbraw/zinc/11/42/76/562114276.db2.gz	CLDYYUIICJYWGP-HUUCEWRRSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000372341414	557444597	/nfs/dbraw/zinc/44/45/97/557444597.db2.gz	BSFIYBCRFRYNMZ-NIKGAXFTSA-N	1	1	354.454	2.124	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)NCCN2CCc3ccccc3C2)CC1	ZINC000519286620	562128647	/nfs/dbraw/zinc/12/86/47/562128647.db2.gz	FWNXDZIOTAFAIM-UHFFFAOYSA-N	1	1	356.514	2.384	20	30		FEEDMO
C#CCOc1cc(F)ccc1NC(=O)N1CCC[N@H+](CCCOC)CC1	ZINC000372645118	557528234	/nfs/dbraw/zinc/52/82/34/557528234.db2.gz	RASPHBOPPFHDOS-UHFFFAOYSA-N	1	1	363.433	2.414	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1)C1CC1	ZINC000519600562	562136552	/nfs/dbraw/zinc/13/65/52/562136552.db2.gz	CFHMITIQTQUXMY-WFXMLNOXSA-N	1	1	371.481	2.306	20	30		FEEDMO
C=C[C@](C)(O)CC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1	ZINC000519853335	562146674	/nfs/dbraw/zinc/14/66/74/562146674.db2.gz	VXYXMCUKHXPWRH-SFHVURJKSA-N	1	1	351.516	2.361	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C1CCCC1	ZINC000373156874	557640666	/nfs/dbraw/zinc/64/06/66/557640666.db2.gz	WLULKJTYJVMRCP-OALUTQOASA-N	1	1	374.529	2.394	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1	ZINC000373586221	557723696	/nfs/dbraw/zinc/72/36/96/557723696.db2.gz	RCWNGLVMDYVKHC-CYBMUJFWSA-N	1	1	374.426	2.390	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1	ZINC000373663685	557733622	/nfs/dbraw/zinc/73/36/22/557733622.db2.gz	WLNZFZSPCSPTAX-DNVCBOLYSA-N	1	1	359.474	2.309	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(C(C)C)no2)C1	ZINC000373663685	557733624	/nfs/dbraw/zinc/73/36/24/557733624.db2.gz	WLNZFZSPCSPTAX-DNVCBOLYSA-N	1	1	359.474	2.309	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1	ZINC000373675023	557736625	/nfs/dbraw/zinc/73/66/25/557736625.db2.gz	RAGYQIPUFDKXFJ-KSSFIOAISA-N	1	1	363.483	2.226	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@]2(CNC(=O)O2)C1	ZINC000373675023	557736627	/nfs/dbraw/zinc/73/66/27/557736627.db2.gz	RAGYQIPUFDKXFJ-KSSFIOAISA-N	1	1	363.483	2.226	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000373965153	557797994	/nfs/dbraw/zinc/79/79/94/557797994.db2.gz	NVJHDYZMNAWXKK-AQNXPRMDSA-N	1	1	366.465	2.139	20	30		FEEDMO
CCOC(=O)[C@]1(COC)CCC[N@@H+](CCCC2(C#N)CCOCC2)C1	ZINC000374171101	557836873	/nfs/dbraw/zinc/83/68/73/557836873.db2.gz	IFDUOKPDNFZOPY-LJQANCHMSA-N	1	1	352.475	2.379	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(C)=O	ZINC000374175772	557837886	/nfs/dbraw/zinc/83/78/86/557837886.db2.gz	PHZQHISQGMRVHW-ZWKOTPCHSA-N	1	1	357.454	2.421	20	30		FEEDMO
C[N@H+](C[C@H]1CC12CCN(CC(=O)NCc1cccc(C#N)c1)CC2)C1CC1	ZINC000374284495	557858070	/nfs/dbraw/zinc/85/80/70/557858070.db2.gz	AAZMRCIFUQLBLB-LJQANCHMSA-N	1	1	366.509	2.371	20	30		FEEDMO
C[N@@H+](C[C@H]1CC12CCN(CC(=O)NCc1cccc(C#N)c1)CC2)C1CC1	ZINC000374284495	557858072	/nfs/dbraw/zinc/85/80/72/557858072.db2.gz	AAZMRCIFUQLBLB-LJQANCHMSA-N	1	1	366.509	2.371	20	30		FEEDMO
COc1cc(C[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)ccc1C#N	ZINC000374351930	557869971	/nfs/dbraw/zinc/86/99/71/557869971.db2.gz	QKDCLKGZNUSXAQ-SFHVURJKSA-N	1	1	357.454	2.074	20	30		FEEDMO
COc1cc(C[N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)ccc1C#N	ZINC000374351930	557869972	/nfs/dbraw/zinc/86/99/72/557869972.db2.gz	QKDCLKGZNUSXAQ-SFHVURJKSA-N	1	1	357.454	2.074	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1[C@H](O)c1ccc(OC)cc1	ZINC000374398495	557878852	/nfs/dbraw/zinc/87/88/52/557878852.db2.gz	KCPGYDBTHUHDCP-XFQXTVEOSA-N	1	1	359.470	2.201	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000374456529	557886294	/nfs/dbraw/zinc/88/62/94/557886294.db2.gz	MYEMAJCZWCRTMP-BBWFWOEESA-N	1	1	370.563	2.155	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1	ZINC000374618683	557907432	/nfs/dbraw/zinc/90/74/32/557907432.db2.gz	MJINAAXKIHDUTG-LSDHHAIUSA-N	1	1	374.489	2.046	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1	ZINC000374618683	557907433	/nfs/dbraw/zinc/90/74/33/557907433.db2.gz	MJINAAXKIHDUTG-LSDHHAIUSA-N	1	1	374.489	2.046	20	30		FEEDMO
N#Cc1cccc(CNC(=O)CNc2ccccc2C[NH+]2CCOCC2)c1	ZINC000521148639	562170418	/nfs/dbraw/zinc/17/04/18/562170418.db2.gz	QXDFTEVELFQZTL-UHFFFAOYSA-N	1	1	364.449	2.119	20	30		FEEDMO
Cn1cc([C@H]2[C@H](CNC(=O)N3CCC(C)(C#N)CC3)CCC[N@H+]2C)cn1	ZINC000374804761	557934209	/nfs/dbraw/zinc/93/42/09/557934209.db2.gz	DHARSUIESADFAI-DOTOQJQBSA-N	1	1	358.490	2.138	20	30		FEEDMO
CCOCCNC(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000374951916	557955651	/nfs/dbraw/zinc/95/56/51/557955651.db2.gz	LIKXQNQELNFIHM-ZDUSSCGKSA-N	1	1	358.467	2.485	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1	ZINC000375011519	557963892	/nfs/dbraw/zinc/96/38/92/557963892.db2.gz	GPIKQVHBMOHXJY-ZWKOTPCHSA-N	1	1	362.495	2.471	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1	ZINC000375011519	557963893	/nfs/dbraw/zinc/96/38/93/557963893.db2.gz	GPIKQVHBMOHXJY-ZWKOTPCHSA-N	1	1	362.495	2.471	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000375019463	557965242	/nfs/dbraw/zinc/96/52/42/557965242.db2.gz	LDAKWYAREXARSC-YQVWRLOYSA-N	1	1	370.497	2.356	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)c(OC)c1	ZINC000375028307	557966453	/nfs/dbraw/zinc/96/64/53/557966453.db2.gz	CFOVCQMEYJXRGQ-GUDVDZBRSA-N	1	1	360.498	2.189	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCC34OCCO4)CC2)cc1	ZINC000375027759	557966619	/nfs/dbraw/zinc/96/66/19/557966619.db2.gz	RLKZHIPUYKRJIU-LJQANCHMSA-N	1	1	369.465	2.136	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCC34OCCO4)CC2)cc1	ZINC000375027759	557966621	/nfs/dbraw/zinc/96/66/21/557966621.db2.gz	RLKZHIPUYKRJIU-LJQANCHMSA-N	1	1	369.465	2.136	20	30		FEEDMO
Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC2)nn1-c1cccc(C#N)c1	ZINC000375335906	558011180	/nfs/dbraw/zinc/01/11/80/558011180.db2.gz	YDAARYFOVNHEQL-UHFFFAOYSA-N	1	1	352.442	2.610	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)C1(C#N)CCCCC1	ZINC000375464211	558031692	/nfs/dbraw/zinc/03/16/92/558031692.db2.gz	IDECUQKSCVYTQP-HNNXBMFYSA-N	1	1	357.458	2.421	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1)C1(C#N)CCCCC1	ZINC000375464211	558031694	/nfs/dbraw/zinc/03/16/94/558031694.db2.gz	IDECUQKSCVYTQP-HNNXBMFYSA-N	1	1	357.458	2.421	20	30		FEEDMO
C#CC[C@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000375466304	558032207	/nfs/dbraw/zinc/03/22/07/558032207.db2.gz	SXHVBQODBFBXRI-DBVUQKKJSA-N	1	1	350.466	2.164	20	30		FEEDMO
N#Cc1c(C#N)c(N2CC[N@@H+]3CCOC[C@@H]3C2)nc2c1CCCCCC2	ZINC000375654419	558062967	/nfs/dbraw/zinc/06/29/67/558062967.db2.gz	ITMSNOPGTQNCAV-HNNXBMFYSA-N	1	1	351.454	2.005	20	30		FEEDMO
N#Cc1c(C#N)c(N2CC[N@H+]3CCOC[C@@H]3C2)nc2c1CCCCCC2	ZINC000375654419	558062969	/nfs/dbraw/zinc/06/29/69/558062969.db2.gz	ITMSNOPGTQNCAV-HNNXBMFYSA-N	1	1	351.454	2.005	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCCC[C@H]3Cn3ccnn3)C2=O)cc1	ZINC000375692293	558068387	/nfs/dbraw/zinc/06/83/87/558068387.db2.gz	OTLZIJKXTPEAEI-RBUKOAKNSA-N	1	1	364.453	2.200	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1	ZINC000375971484	558107558	/nfs/dbraw/zinc/10/75/58/558107558.db2.gz	ADZDWVOMYWDNMQ-AKCHCHLHSA-N	1	1	367.453	2.176	20	30		FEEDMO
CC(C)(O)C[N@H+]1CCCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1	ZINC000376073405	558123068	/nfs/dbraw/zinc/12/30/68/558123068.db2.gz	HZIQGDJTVNAPQH-UHFFFAOYSA-N	1	1	361.461	2.280	20	30		FEEDMO
CCC[N@H+]1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000376156143	558134486	/nfs/dbraw/zinc/13/44/86/558134486.db2.gz	HBDIZIVTTYPGNX-QGZVFWFLSA-N	1	1	358.461	2.468	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1cc(N)c([N+](=O)[O-])c(C#N)c1	ZINC000376175337	558137016	/nfs/dbraw/zinc/13/70/16/558137016.db2.gz	VYONAFTYOKXECS-VMGRFDJRSA-N	1	1	359.430	2.350	20	30		FEEDMO
N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000376191671	558138752	/nfs/dbraw/zinc/13/87/52/558138752.db2.gz	ZGJUALGZBOMYAY-RYUDHWBXSA-N	1	1	362.355	2.221	20	30		FEEDMO
C[C@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)o2)C[N@H+]1Cc1ccccc1	ZINC000376318752	558157334	/nfs/dbraw/zinc/15/73/34/558157334.db2.gz	BERRJIZSPOIIHS-GOEBONIOSA-N	1	1	359.451	2.340	20	30		FEEDMO
C[C@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[N@@H+]1C1CCN(C)CC1	ZINC000376449176	558174587	/nfs/dbraw/zinc/17/45/87/558174587.db2.gz	LXXCRUXMXMUGCN-AWEZNQCLSA-N	1	1	372.904	2.464	20	30		FEEDMO
C[C@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[N@H+]1C1CCN(C)CC1	ZINC000376449176	558174588	/nfs/dbraw/zinc/17/45/88/558174588.db2.gz	LXXCRUXMXMUGCN-AWEZNQCLSA-N	1	1	372.904	2.464	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OC	ZINC000377472992	558346995	/nfs/dbraw/zinc/34/69/95/558346995.db2.gz	PZWIBOOHIXICIC-IIMRFPQDSA-N	1	1	372.465	2.253	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21)c1ccccc1	ZINC000377498396	558352051	/nfs/dbraw/zinc/35/20/51/558352051.db2.gz	XBLFOIURGORHHD-NJAFHUGGSA-N	1	1	354.454	2.052	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21)c1ccccc1	ZINC000377498396	558352052	/nfs/dbraw/zinc/35/20/52/558352052.db2.gz	XBLFOIURGORHHD-NJAFHUGGSA-N	1	1	354.454	2.052	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(NC(=O)C4CCC4)CC3)C2=O)cc1	ZINC000377519515	558356184	/nfs/dbraw/zinc/35/61/84/558356184.db2.gz	NZVMAFACRSUSHI-LJQANCHMSA-N	1	1	366.465	2.044	20	30		FEEDMO
CC(C)(C#N)CCS(=O)(=O)N1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1	ZINC000377835728	558431978	/nfs/dbraw/zinc/43/19/78/558431978.db2.gz	WAZZWDSDTXZAAW-ROUUACIJSA-N	1	1	361.511	2.462	20	30		FEEDMO
C=CCOc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1OC	ZINC000378308920	558526294	/nfs/dbraw/zinc/52/62/94/558526294.db2.gz	HATHKRVRPJQIFG-IRXDYDNUSA-N	1	1	360.454	2.243	20	30		FEEDMO
C=CCOc1ccc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc1OC	ZINC000378308920	558526296	/nfs/dbraw/zinc/52/62/96/558526296.db2.gz	HATHKRVRPJQIFG-IRXDYDNUSA-N	1	1	360.454	2.243	20	30		FEEDMO
C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)n1cnc(C#N)n1	ZINC000409463035	558694424	/nfs/dbraw/zinc/69/44/24/558694424.db2.gz	ISLVLHPURPEOCA-JKSUJKDBSA-N	1	1	366.469	2.259	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1=O	ZINC000410122039	558739904	/nfs/dbraw/zinc/73/99/04/558739904.db2.gz	UQJKVAONQTUKCA-ZWKOTPCHSA-N	1	1	359.445	2.035	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1=O	ZINC000410122039	558739905	/nfs/dbraw/zinc/73/99/05/558739905.db2.gz	UQJKVAONQTUKCA-ZWKOTPCHSA-N	1	1	359.445	2.035	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000410126573	558740245	/nfs/dbraw/zinc/74/02/45/558740245.db2.gz	BINHXXLIFIIGFA-KRWDZBQOSA-N	1	1	364.515	2.063	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000410140040	558741421	/nfs/dbraw/zinc/74/14/21/558741421.db2.gz	OYFOOIPUUYCGED-SJORKVTESA-N	1	1	356.536	2.053	20	30		FEEDMO
C=CCCCCCN(C)C(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1	ZINC000410530967	558773750	/nfs/dbraw/zinc/77/37/50/558773750.db2.gz	YGZZZRLLJLDOGU-UHFFFAOYSA-N	1	1	360.502	2.406	20	30		FEEDMO
N#Cc1ccc(NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000525493406	562249235	/nfs/dbraw/zinc/24/92/35/562249235.db2.gz	ZLASSHIACXYNJU-FQEVSTJZSA-N	1	1	350.422	2.317	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1C#N	ZINC000411667270	558939541	/nfs/dbraw/zinc/93/95/41/558939541.db2.gz	HTRMRXAEOHNIRS-OAHLLOKOSA-N	1	1	372.469	2.132	20	30		FEEDMO
N#Cc1cccnc1OC1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1	ZINC000525852998	562257313	/nfs/dbraw/zinc/25/73/13/562257313.db2.gz	OATJCWBTAQVFAS-PQUAAJSLSA-N	1	1	369.469	2.179	20	30		FEEDMO
Cc1cc(N2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413215343	559089029	/nfs/dbraw/zinc/08/90/29/559089029.db2.gz	AEOLJMVEHBQVOP-HNNXBMFYSA-N	1	1	357.458	2.380	20	30		FEEDMO
Cc1cc(N2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413215343	559089030	/nfs/dbraw/zinc/08/90/30/559089030.db2.gz	AEOLJMVEHBQVOP-HNNXBMFYSA-N	1	1	357.458	2.380	20	30		FEEDMO
CC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000413263687	559093237	/nfs/dbraw/zinc/09/32/37/559093237.db2.gz	MSQHBGOWZWZDBG-CVEARBPZSA-N	1	1	359.449	2.060	20	30		FEEDMO
CN1CC[NH+](C[C@@H](O)COc2ccc(Oc3ccc(C#N)cc3)cc2)CC1	ZINC000414155588	559150969	/nfs/dbraw/zinc/15/09/69/559150969.db2.gz	VIHNMKVQEHWJRU-GOSISDBHSA-N	1	1	367.449	2.338	20	30		FEEDMO
C[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)CN1CC[NH+](C)CC1	ZINC000416688322	559329801	/nfs/dbraw/zinc/32/98/01/559329801.db2.gz	PABOJIAUIACLEO-OXQOHEQNSA-N	1	1	369.513	2.118	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(C#N)ccc1Br	ZINC000419348529	559439046	/nfs/dbraw/zinc/43/90/46/559439046.db2.gz	XRCBWBLUVMATQP-QWHCGFSZSA-N	1	1	352.276	2.208	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N(CC2([N@@H+](C)Cc3ccccc3)CCC2)C1=O	ZINC000420011503	559468750	/nfs/dbraw/zinc/46/87/50/559468750.db2.gz	YXMFTTWFEBDJHT-QGZVFWFLSA-N	1	1	357.454	2.164	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H](C)[NH2+]Cc2ccccc21	ZINC000420465582	559488959	/nfs/dbraw/zinc/48/89/59/559488959.db2.gz	VZFCFYXKVQZJOA-ZDUSSCGKSA-N	1	1	357.435	2.254	20	30		FEEDMO
Cc1cc(-c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)ncc1C#N	ZINC000420476903	559489709	/nfs/dbraw/zinc/48/97/09/559489709.db2.gz	KNSSWPBUSIVPIH-UHFFFAOYSA-N	1	1	361.409	2.126	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@H](CO)C[C@H](C)C1	ZINC000420950827	559513473	/nfs/dbraw/zinc/51/34/73/559513473.db2.gz	WQPFRBODLDJKEH-YESZJQIVSA-N	1	1	359.470	2.281	20	30		FEEDMO
CC[C@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1	ZINC000422480508	559591014	/nfs/dbraw/zinc/59/10/14/559591014.db2.gz	MNWCPTZHRBSVRS-SFHVURJKSA-N	1	1	370.497	2.165	20	30		FEEDMO
CC[C@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1	ZINC000422480508	559591015	/nfs/dbraw/zinc/59/10/15/559591015.db2.gz	MNWCPTZHRBSVRS-SFHVURJKSA-N	1	1	370.497	2.165	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1	ZINC000422520480	559592644	/nfs/dbraw/zinc/59/26/44/559592644.db2.gz	BZTCRISTFOPWKL-UXHICEINSA-N	1	1	371.525	2.384	20	30		FEEDMO
C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000424120338	559655352	/nfs/dbraw/zinc/65/53/52/559655352.db2.gz	GIDYDVHGAOWRPO-CVEARBPZSA-N	1	1	363.531	2.191	20	30		FEEDMO
COCC(C)(C)[NH+]1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1	ZINC000424994114	559682625	/nfs/dbraw/zinc/68/26/25/559682625.db2.gz	XILBPILFBNRNDZ-UHFFFAOYSA-N	1	1	359.445	2.298	20	30		FEEDMO
CC(C)N1CC[NH+](C2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)CC1	ZINC000425245766	559693036	/nfs/dbraw/zinc/69/30/36/559693036.db2.gz	KFAZYMZDELJJMN-UHFFFAOYSA-N	1	1	357.458	2.461	20	30		FEEDMO
C[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)[NH+]1CCN(c2ccccc2)CC1	ZINC000425409098	559700610	/nfs/dbraw/zinc/70/06/10/559700610.db2.gz	VIHHJAWUHLSDLZ-OKZBNKHCSA-N	1	1	355.486	2.189	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000425529356	559708178	/nfs/dbraw/zinc/70/81/78/559708178.db2.gz	BHEMHUKHUMNHBK-FXAWDEMLSA-N	1	1	367.497	2.243	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000425529356	559708179	/nfs/dbraw/zinc/70/81/79/559708179.db2.gz	BHEMHUKHUMNHBK-FXAWDEMLSA-N	1	1	367.497	2.243	20	30		FEEDMO
CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1	ZINC000425541382	559708792	/nfs/dbraw/zinc/70/87/92/559708792.db2.gz	WUFVYFBDEHUJBH-ZDUSSCGKSA-N	1	1	369.425	2.100	20	30		FEEDMO
CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1	ZINC000425541382	559708793	/nfs/dbraw/zinc/70/87/93/559708793.db2.gz	WUFVYFBDEHUJBH-ZDUSSCGKSA-N	1	1	369.425	2.100	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000425886980	559724040	/nfs/dbraw/zinc/72/40/40/559724040.db2.gz	QXKKRNVASYVPGB-MAUKXSAKSA-N	1	1	368.481	2.211	20	30		FEEDMO
N#Cc1c(F)cccc1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000427258060	559751542	/nfs/dbraw/zinc/75/15/42/559751542.db2.gz	BEQIUALPZSDGOH-FQEVSTJZSA-N	1	1	353.397	2.064	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)nc1	ZINC000428804112	559783723	/nfs/dbraw/zinc/78/37/23/559783723.db2.gz	GUNYKJKOUYNFAL-QGZVFWFLSA-N	1	1	354.366	2.394	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cnn(CC(F)(F)F)c3)C2)nc1	ZINC000430174998	559814843	/nfs/dbraw/zinc/81/48/43/559814843.db2.gz	GPMJSUOJVYOGQQ-AWEZNQCLSA-N	1	1	351.332	2.365	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cnn(CC(F)(F)F)c3)C2)nc1	ZINC000430174998	559814844	/nfs/dbraw/zinc/81/48/44/559814844.db2.gz	GPMJSUOJVYOGQQ-AWEZNQCLSA-N	1	1	351.332	2.365	20	30		FEEDMO
N#CCCC[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccccc1	ZINC000431931124	559848703	/nfs/dbraw/zinc/84/87/03/559848703.db2.gz	MRURDLBLFNVNJB-QZTJIDSGSA-N	1	1	371.485	2.061	20	30		FEEDMO
CCC(CC)[C@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)[NH+]1CCOCC1	ZINC000432493433	559859787	/nfs/dbraw/zinc/85/97/87/559859787.db2.gz	BEZHZAGALMAKFE-FQEVSTJZSA-N	1	1	372.513	2.491	20	30		FEEDMO
C=CCC(C)(C)CNC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1	ZINC000432581628	559861263	/nfs/dbraw/zinc/86/12/63/559861263.db2.gz	RVHDAMFKQCWJOC-UHFFFAOYSA-N	1	1	352.523	2.174	20	30		FEEDMO
C=CCC(C)(C)CNC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1	ZINC000432581628	559861264	/nfs/dbraw/zinc/86/12/64/559861264.db2.gz	RVHDAMFKQCWJOC-UHFFFAOYSA-N	1	1	352.523	2.174	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCCN1CCC([NH3+])CC1	ZINC000433122254	559872316	/nfs/dbraw/zinc/87/23/16/559872316.db2.gz	VHRPCCJFSIXROP-UHFFFAOYSA-N	1	1	360.458	2.313	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+](CCO)[C@@H]1CCCSC1	ZINC000433191031	559872877	/nfs/dbraw/zinc/87/28/77/559872877.db2.gz	TXUMTWXCETWQAQ-QZTJIDSGSA-N	1	1	351.512	2.345	20	30		FEEDMO
COc1ccc(CNc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)cc1C#N	ZINC000433205609	559873680	/nfs/dbraw/zinc/87/36/80/559873680.db2.gz	LIVWONURMXLONL-UHFFFAOYSA-N	1	1	350.422	2.022	20	30		FEEDMO
COc1ccc(CNc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)cc1C#N	ZINC000433205609	559873681	/nfs/dbraw/zinc/87/36/81/559873681.db2.gz	LIVWONURMXLONL-UHFFFAOYSA-N	1	1	350.422	2.022	20	30		FEEDMO
C[N@H+](CCN1CCOC(C)(C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000434699210	559906491	/nfs/dbraw/zinc/90/64/91/559906491.db2.gz	ZSQVLVMHLLZTEF-IBGZPJMESA-N	1	1	370.497	2.096	20	30		FEEDMO
C[N@@H+](CCN1CCOC(C)(C)C1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000434699210	559906492	/nfs/dbraw/zinc/90/64/92/559906492.db2.gz	ZSQVLVMHLLZTEF-IBGZPJMESA-N	1	1	370.497	2.096	20	30		FEEDMO
C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000435159889	559917490	/nfs/dbraw/zinc/91/74/90/559917490.db2.gz	XTRLLLRHONKQAE-NSHDSACASA-N	1	1	361.389	2.292	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000435159889	559917491	/nfs/dbraw/zinc/91/74/91/559917491.db2.gz	XTRLLLRHONKQAE-NSHDSACASA-N	1	1	361.389	2.292	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(OC(F)F)c1	ZINC000437895847	559971252	/nfs/dbraw/zinc/97/12/52/559971252.db2.gz	LZNDSCDVPXEZIB-HNNXBMFYSA-N	1	1	351.397	2.314	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c(OC(F)F)c1	ZINC000437895847	559971253	/nfs/dbraw/zinc/97/12/53/559971253.db2.gz	LZNDSCDVPXEZIB-HNNXBMFYSA-N	1	1	351.397	2.314	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000439433852	559993665	/nfs/dbraw/zinc/99/36/65/559993665.db2.gz	BKIGEERMZRAUHG-OAHLLOKOSA-N	1	1	360.433	2.263	20	30		FEEDMO
CCOC(=O)[C@]1(COC)CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000439464432	559994443	/nfs/dbraw/zinc/99/44/43/559994443.db2.gz	CZCRVEFIEFPMTO-HXUWFJFHSA-N	1	1	373.453	2.179	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@@H]1C	ZINC000443353916	560081576	/nfs/dbraw/zinc/08/15/76/560081576.db2.gz	DMQWHWFMEGWQQW-WFASDCNBSA-N	1	1	362.861	2.481	20	30		FEEDMO
C[C@H](c1ccc(-c2ccc(C#N)cc2CO)cc1)N1CC[NH+](CCO)CC1	ZINC000527587326	562296584	/nfs/dbraw/zinc/29/65/84/562296584.db2.gz	JOCVDVKHEFSHJK-QGZVFWFLSA-N	1	1	365.477	2.388	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3ccc(C#N)c(C)c3)C2)cc1	ZINC000446755927	560151338	/nfs/dbraw/zinc/15/13/38/560151338.db2.gz	ARTNEYNZYFOOMS-UHFFFAOYSA-N	1	1	371.462	2.038	20	30		FEEDMO
CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000448763073	560198258	/nfs/dbraw/zinc/19/82/58/560198258.db2.gz	MVKMQBGCTQILGQ-DZGCQCFKSA-N	1	1	374.872	2.023	20	30		FEEDMO
COCC[N@@H+](C)CC[C@H](NC(=O)c1ccc(C#N)n1C)c1ccccc1	ZINC000448907359	560206059	/nfs/dbraw/zinc/20/60/59/560206059.db2.gz	HYYDVRPTYRMQJQ-SFHVURJKSA-N	1	1	354.454	2.336	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccc(C#N)s3)C2)CC1	ZINC000449498394	560231705	/nfs/dbraw/zinc/23/17/05/560231705.db2.gz	LGFMTCZRQHTHMT-QGZVFWFLSA-N	1	1	360.527	2.386	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccc(C#N)cc3)C2)CC1	ZINC000449494042	560231788	/nfs/dbraw/zinc/23/17/88/560231788.db2.gz	FYUWUPZZLHIQPN-NRFANRHFSA-N	1	1	354.498	2.324	20	30		FEEDMO
CC(=O)N1CCCN(C[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)CC1	ZINC000449494042	560231789	/nfs/dbraw/zinc/23/17/89/560231789.db2.gz	FYUWUPZZLHIQPN-NRFANRHFSA-N	1	1	354.498	2.324	20	30		FEEDMO
CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1	ZINC000449494042	560231790	/nfs/dbraw/zinc/23/17/90/560231790.db2.gz	FYUWUPZZLHIQPN-NRFANRHFSA-N	1	1	354.498	2.324	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CC[N@H+]1C	ZINC000449943192	560246021	/nfs/dbraw/zinc/24/60/21/560246021.db2.gz	YHBQHRIBCFXCRC-WCQYABFASA-N	1	1	366.259	2.298	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000450128912	560251593	/nfs/dbraw/zinc/25/15/93/560251593.db2.gz	IMFKOCFITRFVNU-FUMNGEBKSA-N	1	1	358.482	2.373	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000450128912	560251594	/nfs/dbraw/zinc/25/15/94/560251594.db2.gz	IMFKOCFITRFVNU-FUMNGEBKSA-N	1	1	358.482	2.373	20	30		FEEDMO
N#Cc1cccc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-]	ZINC000450243838	560255456	/nfs/dbraw/zinc/25/54/56/560255456.db2.gz	UAPZESLBLJZYJG-KRWDZBQOSA-N	1	1	352.394	2.298	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@@H](C)C[N@H+]1C	ZINC000450351549	560259636	/nfs/dbraw/zinc/25/96/36/560259636.db2.gz	VJYNITFSEUGVHU-IPYPFGDCSA-N	1	1	374.872	2.116	20	30		FEEDMO
N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@H]1CCC[N@@H+]1CCCO	ZINC000450599185	560267543	/nfs/dbraw/zinc/26/75/43/560267543.db2.gz	RXBSXYMMMQDUEC-GFCCVEGCSA-N	1	1	364.371	2.204	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3ccc(C)c(C#N)n3)C2)CC1	ZINC000450775245	560272930	/nfs/dbraw/zinc/27/29/30/560272930.db2.gz	POCAHUCZHMJOOQ-GOSISDBHSA-N	1	1	355.486	2.032	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1	ZINC000451026599	560283145	/nfs/dbraw/zinc/28/31/45/560283145.db2.gz	LOSHBMGBVPZVSZ-IRXDYDNUSA-N	1	1	358.486	2.190	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1	ZINC000451026595	560283249	/nfs/dbraw/zinc/28/32/49/560283249.db2.gz	LOSHBMGBVPZVSZ-DLBZAZTESA-N	1	1	358.486	2.190	20	30		FEEDMO
COc1cc(C[N@@H+]2CCOC[C@@H](O)C2)ccc1OCc1cccc(C#N)c1	ZINC000451238696	560295066	/nfs/dbraw/zinc/29/50/66/560295066.db2.gz	ZEYUYLVHYZBGIL-IBGZPJMESA-N	1	1	368.433	2.339	20	30		FEEDMO
COc1cc(C[N@H+]2CCOC[C@@H](O)C2)ccc1OCc1cccc(C#N)c1	ZINC000451238696	560295067	/nfs/dbraw/zinc/29/50/67/560295067.db2.gz	ZEYUYLVHYZBGIL-IBGZPJMESA-N	1	1	368.433	2.339	20	30		FEEDMO
Cc1cccc(NCCNS(=O)(=O)c2ccc(CC#N)cc2Cl)[nH+]1	ZINC000451268439	560297114	/nfs/dbraw/zinc/29/71/14/560297114.db2.gz	DVDXUCCGDGETNA-UHFFFAOYSA-N	1	1	364.858	2.500	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1	ZINC000451301506	560299076	/nfs/dbraw/zinc/29/90/76/560299076.db2.gz	NOMHEESBUBHNOB-MTQWCTHYSA-N	1	1	361.482	2.017	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H](CO)CC(C)(C)C	ZINC000451792914	560328679	/nfs/dbraw/zinc/32/86/79/560328679.db2.gz	UQVSIKFSUOATPR-KRWDZBQOSA-N	1	1	369.469	2.411	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(C#N)o2)CCC1	ZINC000451795065	560328899	/nfs/dbraw/zinc/32/88/99/560328899.db2.gz	IFGPPLMKKUAHJW-UHFFFAOYSA-N	1	1	359.451	2.484	20	30		FEEDMO
N#Cc1cccc(OCC[N@H+](CCN2CCOCC2)Cc2ccco2)c1	ZINC000452043480	560347410	/nfs/dbraw/zinc/34/74/10/560347410.db2.gz	AYBRMAOSRUDKRX-UHFFFAOYSA-N	1	1	355.438	2.364	20	30		FEEDMO
N#Cc1cccc(OCC[N@@H+](CCN2CCOCC2)Cc2ccco2)c1	ZINC000452043480	560347411	/nfs/dbraw/zinc/34/74/11/560347411.db2.gz	AYBRMAOSRUDKRX-UHFFFAOYSA-N	1	1	355.438	2.364	20	30		FEEDMO
CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H]2CCc3ccc(C#N)cc32)CC1	ZINC000453279525	560385304	/nfs/dbraw/zinc/38/53/04/560385304.db2.gz	QCXQQIGOQWXQFY-GKVSMKOHSA-N	1	1	360.479	2.322	20	30		FEEDMO
CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(CC#N)c2)c1	ZINC000453651601	560393553	/nfs/dbraw/zinc/39/35/53/560393553.db2.gz	JMSDPNUMXVDRGF-UHFFFAOYSA-N	1	1	364.449	2.459	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)CC[C@H]21	ZINC000453670693	560395399	/nfs/dbraw/zinc/39/53/99/560395399.db2.gz	JLKRTNMRDUKIKY-WMLDXEAASA-N	1	1	374.872	2.287	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(CC#N)c2)[C@@H]1c1ccccc1	ZINC000453686229	560396627	/nfs/dbraw/zinc/39/66/27/560396627.db2.gz	DNEKUUKQKZYBLM-OALUTQOASA-N	1	1	362.433	2.253	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1	ZINC000453688832	560396873	/nfs/dbraw/zinc/39/68/73/560396873.db2.gz	HNUQASLQIFZWGD-MOPGFXCFSA-N	1	1	362.433	2.367	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C1=CC[N@@H+](C)CC1	ZINC000453753874	560401821	/nfs/dbraw/zinc/40/18/21/560401821.db2.gz	KVTDLONBUNQOCZ-LBPRGKRZSA-N	1	1	360.845	2.111	20	30		FEEDMO
C=CCC1(CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCC1	ZINC000454439370	560444455	/nfs/dbraw/zinc/44/44/55/560444455.db2.gz	OYXOISDYXLFOEM-INIZCTEOSA-N	1	1	350.507	2.010	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cnc(C#N)c(Cl)c2)CCCO1	ZINC000455760074	560494044	/nfs/dbraw/zinc/49/40/44/560494044.db2.gz	MDVXMOWHLIWFAQ-GFCCVEGCSA-N	1	1	351.838	2.229	20	30		FEEDMO
C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000455770906	560494430	/nfs/dbraw/zinc/49/44/30/560494430.db2.gz	MYIROJQLEKESSG-CQSZACIVSA-N	1	1	360.458	2.266	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000455770906	560494431	/nfs/dbraw/zinc/49/44/31/560494431.db2.gz	MYIROJQLEKESSG-CQSZACIVSA-N	1	1	360.458	2.266	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)c3cc(C)c(C#N)cn3)CC2)nc(C)[nH+]1	ZINC000457639734	560579187	/nfs/dbraw/zinc/57/91/87/560579187.db2.gz	XGHPJDFVLPNUHO-UHFFFAOYSA-N	1	1	350.426	2.067	20	30		FEEDMO
N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)NCCOc1ccc(C(F)(F)F)cc1	ZINC000459469954	560688196	/nfs/dbraw/zinc/68/81/96/560688196.db2.gz	SVRCLDHEAHDNLC-IUODEOHRSA-N	1	1	355.360	2.482	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000459977522	560725637	/nfs/dbraw/zinc/72/56/37/560725637.db2.gz	SGFTVNVWKWEKGL-IBGZPJMESA-N	1	1	370.497	2.095	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1	ZINC000459977522	560725638	/nfs/dbraw/zinc/72/56/38/560725638.db2.gz	SGFTVNVWKWEKGL-IBGZPJMESA-N	1	1	370.497	2.095	20	30		FEEDMO
Cc1nsc(N2CCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)c1C#N	ZINC000461200463	560763674	/nfs/dbraw/zinc/76/36/74/560763674.db2.gz	LWKBCDPLERQETI-QGZVFWFLSA-N	1	1	369.494	2.275	20	30		FEEDMO
COc1cc([C@@H](C#N)NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc(OC)c1OC	ZINC000468945660	560942909	/nfs/dbraw/zinc/94/29/09/560942909.db2.gz	ISYHYXBCYLKTOF-VNHYZAJKSA-N	1	1	361.442	2.266	20	30		FEEDMO
COc1cccc([C@@H](C)[NH+]2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c1	ZINC000469586581	560959093	/nfs/dbraw/zinc/95/90/93/560959093.db2.gz	HNQSQVMMYORQGS-IAGOWNOFSA-N	1	1	370.497	2.325	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)CC[N@@H+]1CCO	ZINC000469834133	560966006	/nfs/dbraw/zinc/96/60/06/560966006.db2.gz	LBOBSZFPXIVUGF-MRXNPFEDSA-N	1	1	354.454	2.084	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)CC[N@H+]1CCO	ZINC000469834133	560966007	/nfs/dbraw/zinc/96/60/07/560966007.db2.gz	LBOBSZFPXIVUGF-MRXNPFEDSA-N	1	1	354.454	2.084	20	30		FEEDMO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC[N@H+]1CCCC(C)(C)C1	ZINC000470283938	560978064	/nfs/dbraw/zinc/97/80/64/560978064.db2.gz	OYZCMBWMCVUWJF-IBGZPJMESA-N	1	1	351.491	2.486	20	30		FEEDMO
C=CCC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(CC)cc2)CC1	ZINC000472588158	561030087	/nfs/dbraw/zinc/03/00/87/561030087.db2.gz	IYAGWDVMOQTISD-HKUYNNGSSA-N	1	1	360.498	2.488	20	30		FEEDMO
C[C@@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)c1ccc(C#N)cc1	ZINC000473660238	561055290	/nfs/dbraw/zinc/05/52/90/561055290.db2.gz	MIZVTOVUTTVGDL-MRXNPFEDSA-N	1	1	357.502	2.335	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cnn(C)c3C#N)cc2)C1	ZINC000474909127	561085374	/nfs/dbraw/zinc/08/53/74/561085374.db2.gz	XQZUJSQPLRGUJP-OAHLLOKOSA-N	1	1	351.454	2.454	20	30		FEEDMO
CC(=O)N1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC12CCCCC2	ZINC000528430017	562329074	/nfs/dbraw/zinc/32/90/74/562329074.db2.gz	JLCURKIZRGTFDP-LJQANCHMSA-N	1	1	371.481	2.165	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H]3CCN(C4CCCCC4)C3=O)C2)nc1	ZINC000528508641	562333094	/nfs/dbraw/zinc/33/30/94/562333094.db2.gz	RVLAQPYELUHBFS-QZTJIDSGSA-N	1	1	354.454	2.340	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CCN(C4CCCCC4)C3=O)C2)nc1	ZINC000528508641	562333095	/nfs/dbraw/zinc/33/30/95/562333095.db2.gz	RVLAQPYELUHBFS-QZTJIDSGSA-N	1	1	354.454	2.340	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1ccc(C#N)nc1	ZINC000528513265	562333438	/nfs/dbraw/zinc/33/34/38/562333438.db2.gz	SFFJIQQLEFILCK-HXUWFJFHSA-N	1	1	363.465	2.404	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@](CO)(c2cccc(F)c2)C1	ZINC000528546033	562335309	/nfs/dbraw/zinc/33/53/09/562335309.db2.gz	REMJBQNHCBMTGY-PZJWPPBQSA-N	1	1	370.424	2.073	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1	ZINC000528547793	562335497	/nfs/dbraw/zinc/33/54/97/562335497.db2.gz	IWUGTPFQQAQTII-INIZCTEOSA-N	1	1	351.447	2.134	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1	ZINC000528554988	562336140	/nfs/dbraw/zinc/33/61/40/562336140.db2.gz	MVKBTEPUGVBNHZ-PWRODBHTSA-N	1	1	366.461	2.396	20	30		FEEDMO
C[C@]1(CO)C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@@]1(C)CO	ZINC000528754282	562345960	/nfs/dbraw/zinc/34/59/60/562345960.db2.gz	ITFYAAJILDFDMJ-IYBDPMFKSA-N	1	1	353.260	2.134	20	30		FEEDMO
C[C@]1(CO)C[N@H+](Cc2ccc(C#N)cc2Br)C[C@@]1(C)CO	ZINC000528754282	562345961	/nfs/dbraw/zinc/34/59/61/562345961.db2.gz	ITFYAAJILDFDMJ-IYBDPMFKSA-N	1	1	353.260	2.134	20	30		FEEDMO
N#Cc1ccc(C2(NC(=O)Cn3c[nH+]c4c3CCCC4)CCOCC2)cc1	ZINC000530061732	562396489	/nfs/dbraw/zinc/39/64/89/562396489.db2.gz	WKNDKHFJOPEMCB-UHFFFAOYSA-N	1	1	364.449	2.456	20	30		FEEDMO
C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCC1	ZINC000530336770	562407417	/nfs/dbraw/zinc/40/74/17/562407417.db2.gz	VFXZMKJDWOBHDL-ZIFCJYIRSA-N	1	1	354.498	2.438	20	30		FEEDMO
C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCC1	ZINC000530336770	562407418	/nfs/dbraw/zinc/40/74/18/562407418.db2.gz	VFXZMKJDWOBHDL-ZIFCJYIRSA-N	1	1	354.498	2.438	20	30		FEEDMO
Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000531125556	562435464	/nfs/dbraw/zinc/43/54/64/562435464.db2.gz	HNJXKTXDPNRTMY-KRWDZBQOSA-N	1	1	355.417	2.152	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(Br)c1	ZINC000532930235	562492887	/nfs/dbraw/zinc/49/28/87/562492887.db2.gz	XDUAMBFXUJUZRE-NSHDSACASA-N	1	1	354.248	2.281	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000532067623	562465853	/nfs/dbraw/zinc/46/58/53/562465853.db2.gz	QMKBURSUUXXMNR-KBXCAEBGSA-N	1	1	371.460	2.012	20	30		FEEDMO
N#Cc1cccc(OCCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1	ZINC000532166952	562469386	/nfs/dbraw/zinc/46/93/86/562469386.db2.gz	QBHCLPKRYLMEIK-UHFFFAOYSA-N	1	1	367.409	2.453	20	30		FEEDMO
C=C(C)COCCNC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000532396940	562476466	/nfs/dbraw/zinc/47/64/66/562476466.db2.gz	LJGVBPNZYSGEBL-MJGOQNOKSA-N	1	1	361.486	2.168	20	30		FEEDMO
C=C(C)COCCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000532396940	562476467	/nfs/dbraw/zinc/47/64/67/562476467.db2.gz	LJGVBPNZYSGEBL-MJGOQNOKSA-N	1	1	361.486	2.168	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(Br)c1	ZINC000532930235	562492886	/nfs/dbraw/zinc/49/28/86/562492886.db2.gz	XDUAMBFXUJUZRE-NSHDSACASA-N	1	1	354.248	2.281	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1nccs1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000532960523	562493996	/nfs/dbraw/zinc/49/39/96/562493996.db2.gz	PROUYXVVYFNNMQ-CYBMUJFWSA-N	1	1	369.454	2.307	20	30		FEEDMO
C=CC[N@@H+](CC(=O)Nc1nccs1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000532960523	562493997	/nfs/dbraw/zinc/49/39/97/562493997.db2.gz	PROUYXVVYFNNMQ-CYBMUJFWSA-N	1	1	369.454	2.307	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1	ZINC000535552105	562561088	/nfs/dbraw/zinc/56/10/88/562561088.db2.gz	RNQCNQKDKMIHJO-ZWKOTPCHSA-N	1	1	359.495	2.161	20	30		FEEDMO
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2	ZINC000537066280	562585059	/nfs/dbraw/zinc/58/50/59/562585059.db2.gz	XLJODAUQRKUOTG-HZPDHXFCSA-N	1	1	373.497	2.286	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000541951504	562624360	/nfs/dbraw/zinc/62/43/60/562624360.db2.gz	GIFHFFXXACVKGF-HOCLYGCPSA-N	1	1	357.376	2.383	20	30		FEEDMO
N#CCCCCNC(=O)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1	ZINC000602244552	567959068	/nfs/dbraw/zinc/95/90/68/567959068.db2.gz	HJKZHEXBTISGIH-LJQANCHMSA-N	1	1	370.497	2.357	20	30		FEEDMO
C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccnc1N1CCN(C)CC1	ZINC000602535067	567992169	/nfs/dbraw/zinc/99/21/69/567992169.db2.gz	XIJPNINHWCAGSL-QGZVFWFLSA-N	1	1	357.502	2.022	20	30		FEEDMO
CO[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@](C)(CO)C1	ZINC000602964493	568023943	/nfs/dbraw/zinc/02/39/43/568023943.db2.gz	QMBSTAMZWJYNQH-AEFFLSMTSA-N	1	1	365.861	2.058	20	30		FEEDMO
CO[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@](C)(CO)C1	ZINC000602964493	568023944	/nfs/dbraw/zinc/02/39/44/568023944.db2.gz	QMBSTAMZWJYNQH-AEFFLSMTSA-N	1	1	365.861	2.058	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1	ZINC000603864363	568161394	/nfs/dbraw/zinc/16/13/94/568161394.db2.gz	BKTSHOCYXRZYHN-DCXXXQMHSA-N	1	1	354.498	2.498	20	30		FEEDMO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1	ZINC000735420248	598269752	/nfs/dbraw/zinc/26/97/52/598269752.db2.gz	NOYSCQZROGXRSX-CQSZACIVSA-N	1	1	369.473	2.047	20	30		FEEDMO
C#CCNC(=O)C[NH+]1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@H]1C	ZINC000808798019	674472873	/nfs/dbraw/zinc/47/28/73/674472873.db2.gz	IBBZHUQAEGGSIG-ZIAGYGMSSA-N	1	1	353.388	2.354	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(c3cnc(Br)cn3)CC2)cc1	ZINC000809344381	674491013	/nfs/dbraw/zinc/49/10/13/674491013.db2.gz	ZMAFUANUKQGQDW-UHFFFAOYSA-N	1	1	358.243	2.433	20	30		FEEDMO
Cc1cc(N2CCC[C@H]([NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)C2)nc(C)[nH+]1	ZINC000832890964	601305354	/nfs/dbraw/zinc/30/53/54/601305354.db2.gz	JBLVRXRXNFNLSB-HKUYNNGSSA-N	1	1	365.437	2.349	20	30		FEEDMO
N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000822801889	606073300	/nfs/dbraw/zinc/07/33/00/606073300.db2.gz	QFFNXUAFEFKWLM-IBGZPJMESA-N	1	1	359.437	2.249	20	30		FEEDMO
CCOC(=O)C1CCC([N@@H+](CC)CC(=O)N(CC)C[C@@H](C)C#N)CC1	ZINC000560978377	674628179	/nfs/dbraw/zinc/62/81/79/674628179.db2.gz	FVJCDTSNRPWVHQ-GTPINHCMSA-N	1	1	351.491	2.438	20	30		FEEDMO
C#C[C@@H](NC(=O)NCCCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1	ZINC000811859554	674634055	/nfs/dbraw/zinc/63/40/55/674634055.db2.gz	UCZVBKMSYGBVLY-GOSISDBHSA-N	1	1	362.905	2.341	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=Cc1csc2ccccc12	ZINC000812393905	674672132	/nfs/dbraw/zinc/67/21/32/674672132.db2.gz	LAQKXEKFFCTEFK-UHFFFAOYSA-N	1	1	362.524	2.422	20	30		FEEDMO
CC(C)(C)[C@@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)CS1	ZINC000814728477	674876882	/nfs/dbraw/zinc/87/68/82/674876882.db2.gz	YGBPPQRYGBMJEE-AWEZNQCLSA-N	1	1	358.577	2.080	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3scnc3C)C[C@@H]2C1	ZINC001048827219	675015871	/nfs/dbraw/zinc/01/58/71/675015871.db2.gz	XIENSKFEULMSFV-TWMKSMIVSA-N	1	1	361.511	2.323	20	30		FEEDMO
C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3OCC[C@H]3CC)C[C@H]2C1	ZINC001048872959	675017741	/nfs/dbraw/zinc/01/77/41/675017741.db2.gz	RNRUUITXZGDCAC-KBXIAJHMSA-N	1	1	357.292	2.100	20	30		FEEDMO
C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3OCC[C@H]3CC)C[C@H]2C1	ZINC001048872959	675017743	/nfs/dbraw/zinc/01/77/43/675017743.db2.gz	RNRUUITXZGDCAC-KBXIAJHMSA-N	1	1	357.292	2.100	20	30		FEEDMO
CCOC(=O)N[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000052868848	670318522	/nfs/dbraw/zinc/31/85/22/670318522.db2.gz	AGDGJBULYYODJD-ZDUSSCGKSA-N	1	1	350.444	2.159	20	30		FEEDMO
CC[C@@H](CSC)[N@@H+](C)CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000091024758	670716197	/nfs/dbraw/zinc/71/61/97/670716197.db2.gz	YYWFPTPNSFVVEU-INIZCTEOSA-N	1	1	360.483	2.353	20	30		FEEDMO
C[C@@]1(CO)CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000571391435	670867057	/nfs/dbraw/zinc/86/70/57/670867057.db2.gz	CZEGMVCPJCOTMB-KRWDZBQOSA-N	1	1	354.372	2.020	20	30		FEEDMO
C=CC[C@H](C)NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000117035122	670911269	/nfs/dbraw/zinc/91/12/69/670911269.db2.gz	GZQPYDJYBURTQL-HNNXBMFYSA-N	1	1	354.495	2.193	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C)[nH+]c2c1CCCC2	ZINC000573305241	671105756	/nfs/dbraw/zinc/10/57/56/671105756.db2.gz	NEEWDXKVXBNMHN-UHFFFAOYSA-N	1	1	357.435	2.372	20	30		FEEDMO
CCc1nc(C[NH+]2CCC(CNc3ccc(C#N)c(N)n3)CC2)cs1	ZINC000578906769	671697892	/nfs/dbraw/zinc/69/78/92/671697892.db2.gz	PDEBCCHYABPQCL-UHFFFAOYSA-N	1	1	356.499	2.878	20	30		FEEDMO
CC[C@](C)(C#N)C(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000579264240	671723440	/nfs/dbraw/zinc/72/34/40/671723440.db2.gz	DIBFJCMSVAGIAB-GPMSIDNRSA-N	1	1	351.491	2.043	20	30		FEEDMO
CN1C[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CCC1=O	ZINC000580579962	671819573	/nfs/dbraw/zinc/81/95/73/671819573.db2.gz	BWIKNSGDIUSQQX-INIZCTEOSA-N	1	1	362.861	2.139	20	30		FEEDMO
CN1C[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CCC1=O	ZINC000580579962	671819576	/nfs/dbraw/zinc/81/95/76/671819576.db2.gz	BWIKNSGDIUSQQX-INIZCTEOSA-N	1	1	362.861	2.139	20	30		FEEDMO
CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000610084127	675952241	/nfs/dbraw/zinc/95/22/41/675952241.db2.gz	BDWAQZXISFEKKZ-UHFFFAOYSA-N	1	1	353.463	2.438	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)OC(C)(C)C	ZINC000125198524	672008244	/nfs/dbraw/zinc/00/82/44/672008244.db2.gz	VEXCHHGRZIBKND-KDOFPFPSSA-N	1	1	354.495	2.276	20	30		FEEDMO
C[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C2(CCCCC2)C1	ZINC000125200299	672008427	/nfs/dbraw/zinc/00/84/27/672008427.db2.gz	QYUSZUXEPBAPCI-UHFFFAOYSA-N	1	1	351.447	2.336	20	30		FEEDMO
C[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C2(CCCCC2)C1	ZINC000125200299	672008431	/nfs/dbraw/zinc/00/84/31/672008431.db2.gz	QYUSZUXEPBAPCI-UHFFFAOYSA-N	1	1	351.447	2.336	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000170652600	672323484	/nfs/dbraw/zinc/32/34/84/672323484.db2.gz	NGUYGSJQADKEAE-HNNXBMFYSA-N	1	1	352.479	2.080	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000170652600	672323486	/nfs/dbraw/zinc/32/34/86/672323486.db2.gz	NGUYGSJQADKEAE-HNNXBMFYSA-N	1	1	352.479	2.080	20	30		FEEDMO
C[C@@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)CN1CC[NH+](C)CC1	ZINC000611094227	676016816	/nfs/dbraw/zinc/01/68/16/676016816.db2.gz	BNXIIGSXYGVCGA-LBPRGKRZSA-N	1	1	369.296	2.478	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000611106920	676017959	/nfs/dbraw/zinc/01/79/59/676017959.db2.gz	BJNUGAGEQHMZNY-GFCCVEGCSA-N	1	1	359.373	2.092	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000611106920	676017960	/nfs/dbraw/zinc/01/79/60/676017960.db2.gz	BJNUGAGEQHMZNY-GFCCVEGCSA-N	1	1	359.373	2.092	20	30		FEEDMO
N#CCCN1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1	ZINC000611176028	676022945	/nfs/dbraw/zinc/02/29/45/676022945.db2.gz	RVJLJHIDIRPXSB-AWEZNQCLSA-N	1	1	358.269	2.264	20	30		FEEDMO
COC(=O)C[C@@](C)([NH2+]CC(=O)Nc1sccc1C#N)c1ccncc1	ZINC000589165456	672510980	/nfs/dbraw/zinc/51/09/80/672510980.db2.gz	WZVSLGMYFVLLBE-QGZVFWFLSA-N	1	1	358.423	2.021	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(Cl)c1	ZINC000590774474	672616712	/nfs/dbraw/zinc/61/67/12/672616712.db2.gz	CETDLGQBDNCNAX-LBPRGKRZSA-N	1	1	356.253	2.442	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)[C@@H]1c1cccs1	ZINC000591965246	672727289	/nfs/dbraw/zinc/72/72/89/672727289.db2.gz	HKOMVBRPCDTMJQ-KYJSFNMBSA-N	1	1	362.499	2.191	20	30		FEEDMO
CCc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2C#N)cc1	ZINC000592387445	672796344	/nfs/dbraw/zinc/79/63/44/672796344.db2.gz	DRPOCKAHFBVLMS-GOSISDBHSA-N	1	1	355.463	2.456	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccsc2C#N)[C@@H](C)C1	ZINC000593546324	672938976	/nfs/dbraw/zinc/93/89/76/672938976.db2.gz	JUFCTJCMUJICNP-UONOGXRCSA-N	1	1	371.528	2.035	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccsc1C#N	ZINC000593577391	672949221	/nfs/dbraw/zinc/94/92/21/672949221.db2.gz	JQJDJARKCQAYEC-DZGCQCFKSA-N	1	1	361.492	2.419	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccsc1C#N	ZINC000593577391	672949224	/nfs/dbraw/zinc/94/92/24/672949224.db2.gz	JQJDJARKCQAYEC-DZGCQCFKSA-N	1	1	361.492	2.419	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(Br)cc3C#N)[C@H]2C1	ZINC000593589998	672952381	/nfs/dbraw/zinc/95/23/81/672952381.db2.gz	WPPPFVDUKIDWQG-WBMJQRKESA-N	1	1	362.271	2.416	20	30		FEEDMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1csc(NC2CC2)n1	ZINC000329402575	673076769	/nfs/dbraw/zinc/07/67/69/673076769.db2.gz	ZJVLZGNGINHHNF-UHFFFAOYSA-N	1	1	364.515	3.057	20	30		FEEDMO
CC(C)C(=O)N1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1	ZINC000329634127	673080624	/nfs/dbraw/zinc/08/06/24/673080624.db2.gz	XASYCYOFQYNXJR-KRWDZBQOSA-N	1	1	350.507	2.154	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1=O	ZINC000348579704	673116062	/nfs/dbraw/zinc/11/60/62/673116062.db2.gz	YEODMAVQLAZBGQ-OFQRWUPVSA-N	1	1	363.483	2.254	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1	ZINC000595352688	673230679	/nfs/dbraw/zinc/23/06/79/673230679.db2.gz	BHBIBASJMBBGOX-GFCCVEGCSA-N	1	1	361.389	2.340	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCCN(c2cccc(F)c2F)CC1	ZINC000595505877	673258877	/nfs/dbraw/zinc/25/88/77/673258877.db2.gz	ZZKYKHYDIXFHBU-UHFFFAOYSA-N	1	1	350.413	2.239	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(c2cccc(F)c2F)CC1	ZINC000595507651	673259297	/nfs/dbraw/zinc/25/92/97/673259297.db2.gz	YLCGZMGTCWRTSC-AWEZNQCLSA-N	1	1	350.413	2.237	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(c2cccc(F)c2F)CC1	ZINC000595507651	673259302	/nfs/dbraw/zinc/25/93/02/673259302.db2.gz	YLCGZMGTCWRTSC-AWEZNQCLSA-N	1	1	350.413	2.237	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCc1nc(-c2ccncc2)cs1	ZINC000730282625	673268725	/nfs/dbraw/zinc/26/87/25/673268725.db2.gz	MZMMSEYEQSHOAA-KRWDZBQOSA-N	1	1	354.479	2.352	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCc1nc(-c2ccncc2)cs1	ZINC000730282625	673268729	/nfs/dbraw/zinc/26/87/29/673268729.db2.gz	MZMMSEYEQSHOAA-KRWDZBQOSA-N	1	1	354.479	2.352	20	30		FEEDMO
Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccsc2C#N)CC1	ZINC000595634069	673276654	/nfs/dbraw/zinc/27/66/54/673276654.db2.gz	WBRIEIULJAEOCR-INIZCTEOSA-N	1	1	357.479	2.490	20	30		FEEDMO
N#Cc1sccc1N1CC[NH+](C[C@@H](O)COCc2cccs2)CC1	ZINC000595633653	673276720	/nfs/dbraw/zinc/27/67/20/673276720.db2.gz	RUEWDXGWIWWFSY-CQSZACIVSA-N	1	1	363.508	2.381	20	30		FEEDMO
CO[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595660950	673279682	/nfs/dbraw/zinc/27/96/82/673279682.db2.gz	HAIMDWXRMAUSHN-SJCJKPOMSA-N	1	1	351.834	2.012	20	30		FEEDMO
CO[C@@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595660950	673279690	/nfs/dbraw/zinc/27/96/90/673279690.db2.gz	HAIMDWXRMAUSHN-SJCJKPOMSA-N	1	1	351.834	2.012	20	30		FEEDMO
CO[C@@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595660949	673279719	/nfs/dbraw/zinc/27/97/19/673279719.db2.gz	HAIMDWXRMAUSHN-PXAZEXFGSA-N	1	1	351.834	2.012	20	30		FEEDMO
CO[C@@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595660949	673279720	/nfs/dbraw/zinc/27/97/20/673279720.db2.gz	HAIMDWXRMAUSHN-PXAZEXFGSA-N	1	1	351.834	2.012	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000595704371	673283978	/nfs/dbraw/zinc/28/39/78/673283978.db2.gz	QARVUMXCKNBKFQ-CQSZACIVSA-N	1	1	361.515	2.324	20	30		FEEDMO
N#Cc1ccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c(Br)c1	ZINC000595862325	673331138	/nfs/dbraw/zinc/33/11/38/673331138.db2.gz	ACDLRYQQTXZINO-INIZCTEOSA-N	1	1	364.287	2.352	20	30		FEEDMO
C[NH+](C)[C@H](C(=O)NCCNc1ncccc1C#N)c1cccc(Cl)c1	ZINC000731871018	673345946	/nfs/dbraw/zinc/34/59/46/673345946.db2.gz	CIPUFMAXYFVVFY-INIZCTEOSA-N	1	1	357.845	2.438	20	30		FEEDMO
N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1	ZINC000596151313	673363468	/nfs/dbraw/zinc/36/34/68/673363468.db2.gz	HHKWQYCRZNAXBG-CABCVRRESA-N	1	1	359.499	2.078	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](SC)[C@@H](N(C)C)C1	ZINC000537288894	673385367	/nfs/dbraw/zinc/38/53/67/673385367.db2.gz	DLUHHEXPOFSOBT-AOIWGVFYSA-N	1	1	350.528	2.132	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](SC)[C@@H](N(C)C)C1	ZINC000537288894	673385370	/nfs/dbraw/zinc/38/53/70/673385370.db2.gz	DLUHHEXPOFSOBT-AOIWGVFYSA-N	1	1	350.528	2.132	20	30		FEEDMO
N#Cc1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(Br)c1	ZINC000596537848	673392458	/nfs/dbraw/zinc/39/24/58/673392458.db2.gz	IIJWAJRTOUKRAW-CQSZACIVSA-N	1	1	350.260	2.356	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc(F)c(C#N)c(F)c2)C[C@@H](C)O1	ZINC000596696184	673405280	/nfs/dbraw/zinc/40/52/80/673405280.db2.gz	YDSBEQVDAAREPB-VXGBXAGGSA-N	1	1	351.397	2.454	20	30		FEEDMO
C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cc(C#N)cs2)C1	ZINC000598508200	673577071	/nfs/dbraw/zinc/57/70/71/673577071.db2.gz	ZLUZLTBGQNWUFZ-QGZVFWFLSA-N	1	1	354.479	2.166	20	30		FEEDMO
C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cc(C#N)cs2)C1	ZINC000598508200	673577072	/nfs/dbraw/zinc/57/70/72/673577072.db2.gz	ZLUZLTBGQNWUFZ-QGZVFWFLSA-N	1	1	354.479	2.166	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000599597319	673695776	/nfs/dbraw/zinc/69/57/76/673695776.db2.gz	SGGSVOQBGRVYTN-CLCXKQKWSA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000599597319	673695778	/nfs/dbraw/zinc/69/57/78/673695778.db2.gz	SGGSVOQBGRVYTN-CLCXKQKWSA-N	1	1	351.491	2.341	20	30		FEEDMO
C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1C[C@@H](C(N)=O)C1	ZINC000599644525	673701305	/nfs/dbraw/zinc/70/13/05/673701305.db2.gz	JYMCBKGBAFTWSF-TXEJJXNPSA-N	1	1	360.483	2.023	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1C[C@@H](C(N)=O)C1	ZINC000599644525	673701309	/nfs/dbraw/zinc/70/13/09/673701309.db2.gz	JYMCBKGBAFTWSF-TXEJJXNPSA-N	1	1	360.483	2.023	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](n2ccnn2)CC1	ZINC000602888425	673912831	/nfs/dbraw/zinc/91/28/31/673912831.db2.gz	MSKHFGHBQCMEFT-HNNXBMFYSA-N	1	1	358.833	2.469	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](n2ccnn2)CC1	ZINC000602888425	673912832	/nfs/dbraw/zinc/91/28/32/673912832.db2.gz	MSKHFGHBQCMEFT-HNNXBMFYSA-N	1	1	358.833	2.469	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)C#Cc2ccccc2)c2cccs2)CC1	ZINC000747394102	673926031	/nfs/dbraw/zinc/92/60/31/673926031.db2.gz	NALYDWQZTVPUOJ-GOSISDBHSA-N	1	1	353.491	2.205	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)C#Cc2ccccc2)c2cccs2)CC1	ZINC000747394103	673926120	/nfs/dbraw/zinc/92/61/20/673926120.db2.gz	NALYDWQZTVPUOJ-SFHVURJKSA-N	1	1	353.491	2.205	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)c1ccsc1	ZINC000566885667	675250129	/nfs/dbraw/zinc/25/01/29/675250129.db2.gz	AXLAZEKNJKOCOQ-HNNXBMFYSA-N	1	1	360.414	2.116	20	30		FEEDMO
C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H](O)CN(C)C(=O)OC(C)(C)C	ZINC000822588898	675493752	/nfs/dbraw/zinc/49/37/52/675493752.db2.gz	ZEBBFTYIRQWIIX-KRWDZBQOSA-N	1	1	350.434	2.489	20	30		FEEDMO
C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)CN(C)C(=O)OC(C)(C)C	ZINC000822588898	675493753	/nfs/dbraw/zinc/49/37/53/675493753.db2.gz	ZEBBFTYIRQWIIX-KRWDZBQOSA-N	1	1	350.434	2.489	20	30		FEEDMO
CC(=O)N[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000603890959	675801735	/nfs/dbraw/zinc/80/17/35/675801735.db2.gz	WSWBWGLHODSKFO-ZDUSSCGKSA-N	1	1	360.483	2.038	20	30		FEEDMO
N#CCc1cccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000619473453	676378905	/nfs/dbraw/zinc/37/89/05/676378905.db2.gz	VKMYHBXGBHQWCP-QGZVFWFLSA-N	1	1	359.451	2.461	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl	ZINC000838623203	680706813	/nfs/dbraw/zinc/70/68/13/680706813.db2.gz	UYODEWNIHQPTCR-BLLLJJGKSA-N	1	1	355.841	2.155	20	30		FEEDMO
C#CC[N@@H+](CC#CC)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000839496423	680756892	/nfs/dbraw/zinc/75/68/92/680756892.db2.gz	NGPLYWLIFJAWEE-UHFFFAOYSA-N	1	1	357.479	2.013	20	30		FEEDMO
C=CCN1CCN(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)C1=O	ZINC000840043335	680794646	/nfs/dbraw/zinc/79/46/46/680794646.db2.gz	SPGOZEMREVYYSK-UHFFFAOYSA-N	1	1	357.380	2.420	20	30		FEEDMO
C#CCN(C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CC1	ZINC000764739833	680820155	/nfs/dbraw/zinc/82/01/55/680820155.db2.gz	VJJYWECZWJLJLO-UHFFFAOYSA-N	1	1	360.889	2.269	20	30		FEEDMO
C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000669322395	679229100	/nfs/dbraw/zinc/22/91/00/679229100.db2.gz	PYSKYVVFTHDXHJ-HZPDHXFCSA-N	1	1	363.531	2.333	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)CC(F)(F)F	ZINC000669336218	679229961	/nfs/dbraw/zinc/22/99/61/679229961.db2.gz	BWSAAKKZEUKBES-OLZOCXBDSA-N	1	1	359.396	2.388	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000765942964	680860462	/nfs/dbraw/zinc/86/04/62/680860462.db2.gz	ULRPHHPPWTUGPI-CHWSQXEVSA-N	1	1	360.401	2.176	20	30		FEEDMO
FC(F)(F)C1CCC(=NNC(=S)NCCC[NH+]2CCOCC2)CC1	ZINC000766008118	680863045	/nfs/dbraw/zinc/86/30/45/680863045.db2.gz	RWIJTBFUFDCSDX-UHFFFAOYSA-N	1	1	366.453	2.281	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2nnc(-c3ccc(Cl)cc3)o2)CC1	ZINC000747823763	679905205	/nfs/dbraw/zinc/90/52/05/679905205.db2.gz	AUCCOOLJAXCSPH-UHFFFAOYSA-N	1	1	358.829	2.351	20	30		FEEDMO
CCO[C@@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)C1(CC)CC	ZINC000748245066	679945148	/nfs/dbraw/zinc/94/51/48/679945148.db2.gz	VFRMPLNADOOYGF-MRXNPFEDSA-N	1	1	370.563	2.144	20	30		FEEDMO
C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@H]12	ZINC000991383707	680079616	/nfs/dbraw/zinc/07/96/16/680079616.db2.gz	IYHIUPLWKUXEAU-FQLMCAECSA-N	1	1	362.392	2.022	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnc(C)s2)C1	ZINC001020168190	680101459	/nfs/dbraw/zinc/10/14/59/680101459.db2.gz	ZSVJCRPTIGYELE-GZENYHORSA-N	1	1	350.488	2.126	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000832250033	680115964	/nfs/dbraw/zinc/11/59/64/680115964.db2.gz	DKJWCKHBIVSDKN-HZPDHXFCSA-N	1	1	351.491	2.258	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]21	ZINC000978724290	680179515	/nfs/dbraw/zinc/17/95/15/680179515.db2.gz	ZIRVNDLNGRJJAS-JLOCXQCDSA-N	1	1	361.873	2.120	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccncc3Cl)C[C@H]21	ZINC000978724290	680179519	/nfs/dbraw/zinc/17/95/19/680179519.db2.gz	ZIRVNDLNGRJJAS-JLOCXQCDSA-N	1	1	361.873	2.120	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2snnc2C)C1	ZINC001023643501	680268563	/nfs/dbraw/zinc/26/85/63/680268563.db2.gz	ZXEPASBDUQYRIH-VYDXJSESSA-N	1	1	364.515	2.156	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2snnc2C)C1	ZINC001023643501	680268567	/nfs/dbraw/zinc/26/85/67/680268567.db2.gz	ZXEPASBDUQYRIH-VYDXJSESSA-N	1	1	364.515	2.156	20	30		FEEDMO
C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C[C@@]2(C)C1	ZINC000982396814	680276476	/nfs/dbraw/zinc/27/64/76/680276476.db2.gz	DFULUBGASSRALT-RGCFKVTRSA-N	1	1	362.905	2.447	20	30		FEEDMO
C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)C[C@@]2(C)C1	ZINC000982396814	680276478	/nfs/dbraw/zinc/27/64/78/680276478.db2.gz	DFULUBGASSRALT-RGCFKVTRSA-N	1	1	362.905	2.447	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](Cc3ccns3)C[C@]2(C)C1	ZINC000982575103	680281206	/nfs/dbraw/zinc/28/12/06/680281206.db2.gz	UTMGIEXLKGNUJH-JFRXWTBNSA-N	1	1	361.511	2.405	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)OCCN1CC[NH+](Cc2ccsc2)CC1	ZINC000835187677	680304978	/nfs/dbraw/zinc/30/49/78/680304978.db2.gz	UEUDJHZHLGCZDJ-UHFFFAOYSA-N	1	1	358.467	2.231	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2csnc2OC)C(C)(C)C1	ZINC000996329748	680328681	/nfs/dbraw/zinc/32/86/81/680328681.db2.gz	JETRMRBFCJDFCO-QLFBSQMISA-N	1	1	365.499	2.069	20	30		FEEDMO
C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC000998067511	680374257	/nfs/dbraw/zinc/37/42/57/680374257.db2.gz	VHGYSXBPWHFEJT-ZSYWTGECSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCc1cc(Br)ccc1F	ZINC000836255341	680441851	/nfs/dbraw/zinc/44/18/51/680441851.db2.gz	HPRHEQZAMMGRDQ-UHFFFAOYSA-N	1	1	370.266	2.385	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CC(OCC)C2)CC1	ZINC000985662408	680467754	/nfs/dbraw/zinc/46/77/54/680467754.db2.gz	VASULVIUDJQRPQ-AWRGBYNESA-N	1	1	350.503	2.315	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1	ZINC000985826137	680482706	/nfs/dbraw/zinc/48/27/06/680482706.db2.gz	FWKAUYNMGFLEPP-PMPSAXMXSA-N	1	1	367.921	2.166	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)Cc1csc(NC(=O)C(C)(C)C)n1	ZINC000756542080	680483975	/nfs/dbraw/zinc/48/39/75/680483975.db2.gz	KJZUOGDGCUIXRU-AWEZNQCLSA-N	1	1	363.483	2.311	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H]1COC(=O)CSCC(=O)Nc1ccc(C)cc1	ZINC000756551024	680484740	/nfs/dbraw/zinc/48/47/40/680484740.db2.gz	FVRXAGBZKFQDLV-QGZVFWFLSA-N	1	1	360.479	2.308	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)CSCC(=O)Nc1ccc(C)cc1	ZINC000756551024	680484742	/nfs/dbraw/zinc/48/47/42/680484742.db2.gz	FVRXAGBZKFQDLV-QGZVFWFLSA-N	1	1	360.479	2.308	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3scnc3C)C2)C1	ZINC001041696821	680508770	/nfs/dbraw/zinc/50/87/70/680508770.db2.gz	WLLQLWYODSXPRP-JTDSTZFVSA-N	1	1	361.511	2.467	20	30		FEEDMO
C[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C	ZINC001042425822	680530187	/nfs/dbraw/zinc/53/01/87/680530187.db2.gz	FGICLCZJPYRFBX-WQVCFCJDSA-N	1	1	361.877	2.032	20	30		FEEDMO
C=CCc1ccc(OCC(=O)OCC[NH+]2CCSCC2)c(OC)c1	ZINC000757946333	680544494	/nfs/dbraw/zinc/54/44/94/680544494.db2.gz	VSGURFGUDVTWQT-UHFFFAOYSA-N	1	1	351.468	2.395	20	30		FEEDMO
C#CCOCC[N@H+](CCNC(C)=O)Cc1ccc(Br)s1	ZINC000852013207	682202781	/nfs/dbraw/zinc/20/27/81/682202781.db2.gz	CXZZCOBHGNWGBA-UHFFFAOYSA-N	1	1	359.289	2.099	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC001004472077	680556993	/nfs/dbraw/zinc/55/69/93/680556993.db2.gz	ZGTOLYBICCSTIS-BPQIPLTHSA-N	1	1	369.937	2.161	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3snc(C)c3C#N)C2)CC[N@H+]1C	ZINC001043572989	680588417	/nfs/dbraw/zinc/58/84/17/680588417.db2.gz	XZERXWDROJVXLS-WXYCVUISSA-N	1	1	361.515	2.312	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nn(C)cc1Cl	ZINC001045237522	680625793	/nfs/dbraw/zinc/62/57/93/680625793.db2.gz	FJPRPSOYNYXZER-ZQIUZPCESA-N	1	1	366.893	2.135	20	30		FEEDMO
C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)C1	ZINC001046030671	680643100	/nfs/dbraw/zinc/64/31/00/680643100.db2.gz	XOLVMJJZICDLIJ-RCCFBDPRSA-N	1	1	357.523	2.012	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(Cl)cn1	ZINC001046162453	680644315	/nfs/dbraw/zinc/64/43/15/680644315.db2.gz	PROCVWSNVUQOMS-OAGGEKHMSA-N	1	1	361.877	2.067	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1ncc(Cl)cn1	ZINC001046162453	680644320	/nfs/dbraw/zinc/64/43/20/680644320.db2.gz	PROCVWSNVUQOMS-OAGGEKHMSA-N	1	1	361.877	2.067	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCCC2CCOCC2)C1	ZINC001046632433	680651692	/nfs/dbraw/zinc/65/16/92/680651692.db2.gz	YBIWVRIXFWFIJU-WSTZPKSXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](Nc2nc(Cl)c(C#N)s2)C1	ZINC001047217943	680658833	/nfs/dbraw/zinc/65/88/33/680658833.db2.gz	XQJQZFDYMQAHKR-QJPTWQEYSA-N	1	1	367.906	2.459	20	30		FEEDMO
C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1	ZINC001047521449	680664935	/nfs/dbraw/zinc/66/49/35/680664935.db2.gz	SPKAAQORGFXZEI-OMNBBPDLSA-N	1	1	350.409	2.148	20	30		FEEDMO
C#CC[C@@H]1NC(=O)N(C[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1=O	ZINC000842245627	680934575	/nfs/dbraw/zinc/93/45/75/680934575.db2.gz	TYKNUKBYTKEALI-KCXAZCMYSA-N	1	1	363.820	2.416	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1)C1CC1	ZINC000844370218	681054600	/nfs/dbraw/zinc/05/46/00/681054600.db2.gz	FSDAXBAHGFIEPJ-RTBURBONSA-N	1	1	361.873	2.432	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1)C1CC1	ZINC000844370218	681054602	/nfs/dbraw/zinc/05/46/02/681054602.db2.gz	FSDAXBAHGFIEPJ-RTBURBONSA-N	1	1	361.873	2.432	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CC(=O)NCCC#N)[C@H]1CCNC(=O)OC(C)(C)C	ZINC000844399032	681056487	/nfs/dbraw/zinc/05/64/87/681056487.db2.gz	ZYTWNBKCHCNHJE-CABCVRRESA-N	1	1	352.479	2.032	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CCC1CCCC1	ZINC001050924633	681057948	/nfs/dbraw/zinc/05/79/48/681057948.db2.gz	IBJMSWQFQRBEIA-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CCC1CCCC1	ZINC001050924633	681057951	/nfs/dbraw/zinc/05/79/51/681057951.db2.gz	IBJMSWQFQRBEIA-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)CC1	ZINC001052029072	681070872	/nfs/dbraw/zinc/07/08/72/681070872.db2.gz	XBJJBCDRIUQLGB-RCCFBDPRSA-N	1	1	357.523	2.012	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2snnc2C)CC1	ZINC001052389683	681076518	/nfs/dbraw/zinc/07/65/18/681076518.db2.gz	YCWDCGGEOUREEY-OAGGEKHMSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCn2cc(Cl)cn2)CC1	ZINC001052721338	681084004	/nfs/dbraw/zinc/08/40/04/681084004.db2.gz	CUJQKUYOEMMRKQ-ZACQAIPSSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCn2cc(Cl)cn2)CC1	ZINC001052721335	681084106	/nfs/dbraw/zinc/08/41/06/681084106.db2.gz	CUJQKUYOEMMRKQ-BBWFWOEESA-N	1	1	366.893	2.098	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000845220742	681111662	/nfs/dbraw/zinc/11/16/62/681111662.db2.gz	NESRFHBGZLSUME-IBGZPJMESA-N	1	1	363.889	2.288	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)c3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001057053233	681158536	/nfs/dbraw/zinc/15/85/36/681158536.db2.gz	ZDQBOBSVMUESHY-GRYCIOLGSA-N	1	1	367.906	2.045	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)Cc1cc(Cl)sc1Cl	ZINC000845940922	681163774	/nfs/dbraw/zinc/16/37/74/681163774.db2.gz	ZOKIHRYKTUZULW-UHFFFAOYSA-N	1	1	355.312	2.429	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC001059732111	681183709	/nfs/dbraw/zinc/18/37/09/681183709.db2.gz	JYAGNCNRLJQWFN-FVQBIDKESA-N	1	1	369.937	2.460	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]2CC1	ZINC000946818049	681261699	/nfs/dbraw/zinc/26/16/99/681261699.db2.gz	BXLQGTOFKQNGTD-GFEQUFNTSA-N	1	1	350.503	2.173	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H]1CCCO1	ZINC000775806891	681337092	/nfs/dbraw/zinc/33/70/92/681337092.db2.gz	OKGHANXZZJTRGB-GXTWGEPZSA-N	1	1	352.818	2.066	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@@H+]1CCC(=O)N(C)CCC#N	ZINC000776607970	681415335	/nfs/dbraw/zinc/41/53/35/681415335.db2.gz	YFOANOQIDOVPDJ-CABCVRRESA-N	1	1	352.479	2.078	20	30		FEEDMO
C=CC[C@H]1CC[N@H+]1Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC	ZINC000934465556	681574819	/nfs/dbraw/zinc/57/48/19/681574819.db2.gz	DLHWAIITFKKALG-AWEZNQCLSA-N	1	1	362.499	2.457	20	30		FEEDMO
C=CC[C@H]1CC[N@@H+]1Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC	ZINC000934465556	681574823	/nfs/dbraw/zinc/57/48/23/681574823.db2.gz	DLHWAIITFKKALG-AWEZNQCLSA-N	1	1	362.499	2.457	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC2CCOCC2)CC1	ZINC000948789294	681598747	/nfs/dbraw/zinc/59/87/47/681598747.db2.gz	KYNKHXAABPQKFQ-QRVBRYPASA-N	1	1	350.503	2.317	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1	ZINC000779196358	681687927	/nfs/dbraw/zinc/68/79/27/681687927.db2.gz	SXUPHLUFLQAXSJ-GXTWGEPZSA-N	1	1	355.360	2.478	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1	ZINC000913852611	685486655	/nfs/dbraw/zinc/48/66/55/685486655.db2.gz	WJOFLHDCDZEXES-INIZCTEOSA-N	1	1	361.492	2.314	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C1	ZINC000914213077	685499164	/nfs/dbraw/zinc/49/91/64/685499164.db2.gz	SMDHSUUOZDRXAR-AWEZNQCLSA-N	1	1	353.513	2.113	20	30		FEEDMO
C#CCOCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000851723148	682112390	/nfs/dbraw/zinc/11/23/90/682112390.db2.gz	BUCVHCZHOAEMFF-UHFFFAOYSA-N	1	1	357.332	2.385	20	30		FEEDMO
C#CC[N@@H+](C[C@@H]1CNC(=O)C1)[C@@H]1CCOc2ccc(Br)cc21	ZINC000851771344	682129240	/nfs/dbraw/zinc/12/92/40/682129240.db2.gz	BVXHERIATLWLEV-SWLSCSKDSA-N	1	1	363.255	2.344	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1csnn1)C2	ZINC000963815861	682147277	/nfs/dbraw/zinc/14/72/77/682147277.db2.gz	NBSXJHKCLPPZMX-WKGBCYBTSA-N	1	1	362.499	2.036	20	30		FEEDMO
C#CCOCC[N@@H+](CCNC(C)=O)Cc1ccc(Br)s1	ZINC000852013207	682202776	/nfs/dbraw/zinc/20/27/76/682202776.db2.gz	CXZZCOBHGNWGBA-UHFFFAOYSA-N	1	1	359.289	2.099	20	30		FEEDMO
C#CCOCCNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000784399830	682222869	/nfs/dbraw/zinc/22/28/69/682222869.db2.gz	DRWUIJBGFUCULR-YOEHRIQHSA-N	1	1	367.852	2.421	20	30		FEEDMO
CCOP(=O)(OCC)[C@H](O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1	ZINC000852210695	682239733	/nfs/dbraw/zinc/23/97/33/682239733.db2.gz	JVTWVGUAWTXSMH-HOTGVXAUSA-N	1	1	356.359	2.108	20	30		FEEDMO
C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000968964921	682252180	/nfs/dbraw/zinc/25/21/80/682252180.db2.gz	BCHFOWMUKUMJBQ-ZSYWTGECSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1snnc1C	ZINC000969037949	682254837	/nfs/dbraw/zinc/25/48/37/682254837.db2.gz	PMJRDWZPNWMXFN-XHSDSOJGSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1snnc1C	ZINC000969037949	682254839	/nfs/dbraw/zinc/25/48/39/682254839.db2.gz	PMJRDWZPNWMXFN-XHSDSOJGSA-N	1	1	364.515	2.298	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1	ZINC000917654585	685533507	/nfs/dbraw/zinc/53/35/07/685533507.db2.gz	HNSPHENXPDYPET-OLZOCXBDSA-N	1	1	373.400	2.482	20	30		FEEDMO
C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3cccc(Cl)c3C#N)C[C@]2(C)C1	ZINC000918351452	685538582	/nfs/dbraw/zinc/53/85/82/685538582.db2.gz	JZANCXVXTVHVHQ-IYBDPMFKSA-N	1	1	353.875	2.174	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccccc1SCC#N	ZINC000918699479	685541124	/nfs/dbraw/zinc/54/11/24/685541124.db2.gz	JGDTWPLGGPEGPY-UHFFFAOYSA-N	1	1	360.527	2.400	20	30		FEEDMO
C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO[C@H]3C(C)C)C2)C1	ZINC000972389215	682412885	/nfs/dbraw/zinc/41/28/85/682412885.db2.gz	IRQUDUCNAYHRIM-BJLQDIEVSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=CCn1c(C2CC2)nn(CN(C)[C@H](C)C[NH+]2CCOCC2)c1=S	ZINC000788377225	682525463	/nfs/dbraw/zinc/52/54/63/682525463.db2.gz	KHTBXRXJQRVAAK-CQSZACIVSA-N	1	1	351.520	2.087	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)[C@H]1CCCO1	ZINC000859258357	683067237	/nfs/dbraw/zinc/06/72/37/683067237.db2.gz	NHHHEAZKLLOQOF-NUEKZKHPSA-N	1	1	363.255	2.473	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)CCC1CN(C(=O)OC(C)(C)C)C1	ZINC000860529615	683256318	/nfs/dbraw/zinc/25/63/18/683256318.db2.gz	JPGGDCHHLDGATL-INIZCTEOSA-N	1	1	350.459	2.274	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)C1=O	ZINC000799358877	683448197	/nfs/dbraw/zinc/44/81/97/683448197.db2.gz	OGAFAKJKMJXFBT-JKSUJKDBSA-N	1	1	351.491	2.400	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)C1=O	ZINC000799358876	683448404	/nfs/dbraw/zinc/44/84/04/683448404.db2.gz	OGAFAKJKMJXFBT-HZPDHXFCSA-N	1	1	351.491	2.400	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21	ZINC000861837328	683483673	/nfs/dbraw/zinc/48/36/73/683483673.db2.gz	AKZQHCAQDCEXAN-HYVNUMGLSA-N	1	1	361.283	2.406	20	30		FEEDMO
C#CC[C@H](CO)NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000921701728	683549073	/nfs/dbraw/zinc/54/90/73/683549073.db2.gz	BNPWCLWIWIDMNX-JJRVBVJISA-N	1	1	367.852	2.155	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C1	ZINC000929256677	683569339	/nfs/dbraw/zinc/56/93/39/683569339.db2.gz	HDBMLOBCSODKLR-INIZCTEOSA-N	1	1	361.877	2.455	20	30		FEEDMO
C[N@@H+]1CCC(N=NC2=NCCN2)C[C@@H]1c1ccc(Br)cc1	ZINC000863120023	683677856	/nfs/dbraw/zinc/67/78/56/683677856.db2.gz	KSTQCUHNCOSGJY-CQSZACIVSA-N	1	1	350.264	2.121	20	30		FEEDMO
C[N@H+]1CCC(N=NC2=NCCN2)C[C@@H]1c1ccc(Br)cc1	ZINC000863120023	683677860	/nfs/dbraw/zinc/67/78/60/683677860.db2.gz	KSTQCUHNCOSGJY-CQSZACIVSA-N	1	1	350.264	2.121	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O	ZINC000930548967	683750103	/nfs/dbraw/zinc/75/01/03/683750103.db2.gz	KZGIOASVRVJZHY-IVMMDQJWSA-N	1	1	350.484	2.500	20	30		FEEDMO
C=C(Cl)C[C@@H]1NC(=O)N([C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)C1=O	ZINC000865304426	683964978	/nfs/dbraw/zinc/96/49/78/683964978.db2.gz	VBKZHLNBWMMJGK-VHDGCEQUSA-N	1	1	357.882	2.186	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)Br)nc2)C1	ZINC000923554797	684305239	/nfs/dbraw/zinc/30/52/39/684305239.db2.gz	PKUHCKBXVIUSEG-GFCCVEGCSA-N	1	1	372.213	2.353	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)Br)nc2)C1	ZINC000923554797	684305244	/nfs/dbraw/zinc/30/52/44/684305244.db2.gz	PKUHCKBXVIUSEG-GFCCVEGCSA-N	1	1	372.213	2.353	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(Cl)ncc2Br)C1	ZINC000923560048	684305653	/nfs/dbraw/zinc/30/56/53/684305653.db2.gz	YERYUXKUMUQCCS-JTQLQIEISA-N	1	1	356.651	2.325	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)ncc2Br)C1	ZINC000923560048	684305660	/nfs/dbraw/zinc/30/56/60/684305660.db2.gz	YERYUXKUMUQCCS-JTQLQIEISA-N	1	1	356.651	2.325	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Cc2csc(CCC(F)(F)F)n2)C1	ZINC000923595243	684311066	/nfs/dbraw/zinc/31/10/66/684311066.db2.gz	RCXFKMWZDPFUFT-LBPRGKRZSA-N	1	1	359.417	2.394	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2csc(CCC(F)(F)F)n2)C1	ZINC000923595243	684311071	/nfs/dbraw/zinc/31/10/71/684311071.db2.gz	RCXFKMWZDPFUFT-LBPRGKRZSA-N	1	1	359.417	2.394	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](C2OCCO2)C1	ZINC000932001234	684386093	/nfs/dbraw/zinc/38/60/93/684386093.db2.gz	AGAQLNFLTYYQLG-RYUDHWBXSA-N	1	1	361.467	2.130	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](C2OCCO2)C1	ZINC000932001234	684386097	/nfs/dbraw/zinc/38/60/97/684386097.db2.gz	AGAQLNFLTYYQLG-RYUDHWBXSA-N	1	1	361.467	2.130	20	30		FEEDMO
N#C[C@]1(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CCCOC1	ZINC000867797682	684389893	/nfs/dbraw/zinc/38/98/93/684389893.db2.gz	BJWPHKQAXGCOKZ-PKOBYXMFSA-N	1	1	359.495	2.041	20	30		FEEDMO
N#C[C@]1(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CCCOC1	ZINC000867797682	684389895	/nfs/dbraw/zinc/38/98/95/684389895.db2.gz	BJWPHKQAXGCOKZ-PKOBYXMFSA-N	1	1	359.495	2.041	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])c1nc(CC(=O)NCc2ccc(F)c(F)c2)no1	ZINC000872181271	684925614	/nfs/dbraw/zinc/92/56/14/684925614.db2.gz	ZQUJRTRDZYDDGP-LBPRGKRZSA-N	1	1	356.760	2.349	20	30		FEEDMO
C[C@@]12CN(S(=O)(=O)CCCCC#N)C[C@@H]1C[N@@H+](Cc1ccccc1)C2	ZINC000872598075	684985329	/nfs/dbraw/zinc/98/53/29/684985329.db2.gz	XTQVNEKINKBMTH-RBUKOAKNSA-N	1	1	361.511	2.464	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)[C@H]1NCCc2cc(C#N)ccc21)c1cccs1	ZINC000876710155	686249749	/nfs/dbraw/zinc/24/97/49/686249749.db2.gz	FLAHNLONRGIJOU-WMZOPIPTSA-N	1	1	354.479	2.226	20	30		FEEDMO
C[NH+]1CCN(C2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CC1	ZINC000877981528	686494048	/nfs/dbraw/zinc/49/40/48/686494048.db2.gz	XMJWBMAJIACBOQ-UHFFFAOYSA-N	1	1	361.877	2.455	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C(N)=O)CCc1cccc(C#N)c1	ZINC000879433850	686820481	/nfs/dbraw/zinc/82/04/81/686820481.db2.gz	HSQAZVWETHGHIJ-UHFFFAOYSA-N	1	1	356.451	2.222	20	30		FEEDMO
COC(=O)CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000880040303	686982085	/nfs/dbraw/zinc/98/20/85/686982085.db2.gz	GQJVFQXXINOXTM-HIFRSBDPSA-N	1	1	361.467	2.390	20	30		FEEDMO
COC(=O)CC[C@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000880040303	686982089	/nfs/dbraw/zinc/98/20/89/686982089.db2.gz	GQJVFQXXINOXTM-HIFRSBDPSA-N	1	1	361.467	2.390	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC[C@@H](C(F)(F)F)O1	ZINC000880065905	686992548	/nfs/dbraw/zinc/99/25/48/686992548.db2.gz	YJHZZXQYOCTCAH-XPKDYRNWSA-N	1	1	358.360	2.340	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2ccc(Br)c(C#N)n2)C[C@H](C)[N@@H+]1C	ZINC000883110918	687567763	/nfs/dbraw/zinc/56/77/63/687567763.db2.gz	NUPYNYAAMJRFGW-AOOOYVTPSA-N	1	1	352.236	2.272	20	30		FEEDMO
C=CCC1(O)CC[NH+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)CC1	ZINC000886767078	688304569	/nfs/dbraw/zinc/30/45/69/688304569.db2.gz	ZGBRGQUJYMXOLQ-CQSZACIVSA-N	1	1	352.425	2.415	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888422521	688609867	/nfs/dbraw/zinc/60/98/67/688609867.db2.gz	NQBHWYWZTBDFFC-UHFFFAOYSA-N	1	1	358.899	2.015	20	30		FEEDMO
CN(CCCN(C)C(=O)Nc1nc(Cl)c(C#N)s1)CC[NH+](C)C	ZINC000888422521	688609868	/nfs/dbraw/zinc/60/98/68/688609868.db2.gz	NQBHWYWZTBDFFC-UHFFFAOYSA-N	1	1	358.899	2.015	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(C(=O)NCC#C[C@@H]3CCCCO3)CC2)cs1	ZINC000891126924	689017199	/nfs/dbraw/zinc/01/71/99/689017199.db2.gz	OJMMJXKJZJEULO-SFHVURJKSA-N	1	1	361.511	2.352	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)N(C)Cc1cc(C#N)cs1)[NH+]1CCOCC1	ZINC000891737983	689099541	/nfs/dbraw/zinc/09/95/41/689099541.db2.gz	CZXQFXFTRRARGL-MRXNPFEDSA-N	1	1	350.488	2.118	20	30		FEEDMO
C[N@@H+]1CC[C@H](NC(=O)N2CCO[C@](C)(C#N)C2)[C@H]1c1ccc(Cl)cc1	ZINC000893896125	689424803	/nfs/dbraw/zinc/42/48/03/689424803.db2.gz	PTMBEKPOEJDBEH-LZLYRXPVSA-N	1	1	362.861	2.409	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N2CCO[C@](C)(C#N)C2)[C@H]1c1ccc(Cl)cc1	ZINC000893896125	689424806	/nfs/dbraw/zinc/42/48/06/689424806.db2.gz	PTMBEKPOEJDBEH-LZLYRXPVSA-N	1	1	362.861	2.409	20	30		FEEDMO
Cn1nc2c(c1C[N@@H+]1CC[C@@H](Oc3ccc(C#N)cn3)C1)CSCC2	ZINC000894840224	689606690	/nfs/dbraw/zinc/60/66/90/689606690.db2.gz	VTRYZQVDXWLURA-CQSZACIVSA-N	1	1	355.467	2.129	20	30		FEEDMO
Cn1nc2c(c1C[N@H+]1CC[C@@H](Oc3ccc(C#N)cn3)C1)CSCC2	ZINC000894840224	689606693	/nfs/dbraw/zinc/60/66/93/689606693.db2.gz	VTRYZQVDXWLURA-CQSZACIVSA-N	1	1	355.467	2.129	20	30		FEEDMO
Cn1cc(C[NH2+]Cc2ccc(CC#N)cc2)c(I)n1	ZINC000895075925	689654608	/nfs/dbraw/zinc/65/46/08/689654608.db2.gz	JLGIQHBCYNGODZ-UHFFFAOYSA-N	1	1	366.206	2.381	20	30		FEEDMO
O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCCN1O	ZINC000895166050	689670422	/nfs/dbraw/zinc/67/04/22/689670422.db2.gz	OQYLEHATIVGOBJ-LSDHHAIUSA-N	1	1	354.834	2.368	20	30		FEEDMO
Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1CCCN(O)C1=O	ZINC000895166375	689670460	/nfs/dbraw/zinc/67/04/60/689670460.db2.gz	QBIIFQPGGRSCEM-HNNXBMFYSA-N	1	1	350.369	2.237	20	30		FEEDMO
C#CC1(O)CC[NH+](Cc2cc(OC)c(OC)cc2Br)CC1	ZINC000895379127	689706933	/nfs/dbraw/zinc/70/69/33/689706933.db2.gz	KWEIPGVQJAJHLT-UHFFFAOYSA-N	1	1	354.244	2.426	20	30		FEEDMO
C#CC1(O)CC[NH+](C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1	ZINC000895385445	689707786	/nfs/dbraw/zinc/70/77/86/689707786.db2.gz	CDFLOCSDAONQDJ-GFCCVEGCSA-N	1	1	350.381	2.292	20	30		FEEDMO
N#Cc1ncc(Br)cc1NC[C@@H]1CC[N@H+]1C1CCOCC1	ZINC000896524402	689885097	/nfs/dbraw/zinc/88/50/97/689885097.db2.gz	USRLPRWCBGJAOD-ZDUSSCGKSA-N	1	1	351.248	2.381	20	30		FEEDMO
C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)C1	ZINC000900645414	690542715	/nfs/dbraw/zinc/54/27/15/690542715.db2.gz	YEUXKFOUYGSDDW-GDBMZVCRSA-N	1	1	355.360	2.233	20	30		FEEDMO
C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)C1	ZINC000900645415	690542849	/nfs/dbraw/zinc/54/28/49/690542849.db2.gz	YEUXKFOUYGSDDW-GOEBONIOSA-N	1	1	355.360	2.233	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cnc1C#N)C2	ZINC001164815342	720087012	/nfs/dbraw/zinc/08/70/12/720087012.db2.gz	YIHUUWGYOOYXIF-KDOFPFPSSA-N	1	1	361.877	2.186	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc(C4(C#N)CCC4)cn3)CC[C@H]2C1	ZINC001164862195	720854790	/nfs/dbraw/zinc/85/47/90/720854790.db2.gz	ZKIMBZPIMYIIHY-HKUYNNGSSA-N	1	1	370.497	2.200	20	30		FEEDMO
N#Cc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl	ZINC001164870872	721054279	/nfs/dbraw/zinc/05/42/79/721054279.db2.gz	WZIHLMPZWWJYTI-HZPDHXFCSA-N	1	1	369.856	2.481	20	30		FEEDMO
N#Cc1c(Cl)ccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164871911	721064933	/nfs/dbraw/zinc/06/49/33/721064933.db2.gz	ZQNFCZYMABWXIL-CVEARBPZSA-N	1	1	369.856	2.481	20	30		FEEDMO
N#Cc1cc2c(nc1N1C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C1)CCC2	ZINC001164791265	721426681	/nfs/dbraw/zinc/42/66/81/721426681.db2.gz	ZXXFQCNNONSYKT-HOTGVXAUSA-N	1	1	351.479	2.467	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2C#N)[C@@H]2CCCO[C@@H]12	ZINC001164805575	721536089	/nfs/dbraw/zinc/53/60/89/721536089.db2.gz	MJWJQQSXHRXKNZ-GUDVDZBRSA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2C#N)[C@@H]2CCCO[C@@H]12	ZINC001164805575	721536091	/nfs/dbraw/zinc/53/60/91/721536091.db2.gz	MJWJQQSXHRXKNZ-GUDVDZBRSA-N	1	1	367.428	2.356	20	30		FEEDMO
Cc1nc(C#N)cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164912097	721548340	/nfs/dbraw/zinc/54/83/40/721548340.db2.gz	YRRJPMHAWFGNQU-FUHWJXTLSA-N	1	1	353.401	2.138	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccncc2)ccc1C#N	ZINC001164929181	721877067	/nfs/dbraw/zinc/87/70/67/721877067.db2.gz	AHWQXKWMMDPICI-VQTJNVASSA-N	1	1	362.481	2.230	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(-c2ccncc2)ccc1C#N	ZINC001164929181	721877069	/nfs/dbraw/zinc/87/70/69/721877069.db2.gz	AHWQXKWMMDPICI-VQTJNVASSA-N	1	1	362.481	2.230	20	30		FEEDMO
N#Cc1cc(C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cc(Cl)n1	ZINC001164967106	722071628	/nfs/dbraw/zinc/07/16/28/722071628.db2.gz	IJTHGJZLYXEJIN-GASCZTMLSA-N	1	1	368.815	2.451	20	30		FEEDMO
N#Cc1cc(C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)cc(Cl)n1	ZINC001164967106	722071629	/nfs/dbraw/zinc/07/16/29/722071629.db2.gz	IJTHGJZLYXEJIN-GASCZTMLSA-N	1	1	368.815	2.451	20	30		FEEDMO
Cc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1	ZINC000025226482	539751409	/nfs/dbraw/zinc/75/14/09/539751409.db2.gz	OPTGKCZRMLLAQZ-NRFANRHFSA-N	1	1	365.477	2.424	20	30		FEEDMO
N#Cc1ccc(CN2CCC[N@H+](CCC(=O)N3CCCCC3)CC2)cc1	ZINC000025934078	539772691	/nfs/dbraw/zinc/77/26/91/539772691.db2.gz	XXHRBDKMMAZHQH-UHFFFAOYSA-N	1	1	354.498	2.469	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1	ZINC000028708680	539835867	/nfs/dbraw/zinc/83/58/67/539835867.db2.gz	VDNIQBSECQCGIX-OAQYLSRUSA-N	1	1	360.461	2.481	20	30		FEEDMO
N#Cc1cccc(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)c1	ZINC000029157198	539844642	/nfs/dbraw/zinc/84/46/42/539844642.db2.gz	HDNRIUKKBUNSKP-UHFFFAOYSA-N	1	1	362.477	2.496	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CCOc2ccccc2)CC1	ZINC000032512206	539942360	/nfs/dbraw/zinc/94/23/60/539942360.db2.gz	DAYDXWYQMGJIIL-WIYYLYMNSA-N	1	1	372.513	2.126	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000041731482	540031215	/nfs/dbraw/zinc/03/12/15/540031215.db2.gz	DBOIBHLQGYJYAF-IYBDPMFKSA-N	1	1	372.469	2.012	20	30		FEEDMO
CCC(CC)[C@H](CNC(=O)COc1ccccc1C#N)[NH+]1CCOCC1	ZINC000043484130	540101716	/nfs/dbraw/zinc/10/17/16/540101716.db2.gz	JIRZAEXVKFBZCL-SFHVURJKSA-N	1	1	359.470	2.190	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)c2ccc(C#N)cc2)c2cccs2)CC1	ZINC000046708064	540267290	/nfs/dbraw/zinc/26/72/90/540267290.db2.gz	RPEXFKXXQNZRRS-QGZVFWFLSA-N	1	1	354.479	2.338	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000051062920	540421802	/nfs/dbraw/zinc/42/18/02/540421802.db2.gz	CHEOWAZLKYEUIJ-QGZVFWFLSA-N	1	1	362.518	2.300	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)CCCCC1	ZINC000051557673	540437646	/nfs/dbraw/zinc/43/76/46/540437646.db2.gz	YDBZQXMMYPHUAM-QGZVFWFLSA-N	1	1	360.502	2.054	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1	ZINC000052315130	540462293	/nfs/dbraw/zinc/46/22/93/540462293.db2.gz	CCARABVSCGMMRN-SJORKVTESA-N	1	1	356.470	2.345	20	30		FEEDMO
N#Cc1ccccc1N1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)CC1	ZINC000052801010	540490104	/nfs/dbraw/zinc/49/01/04/540490104.db2.gz	UTBIVTGHEFHLNI-UHFFFAOYSA-N	1	1	365.462	2.340	20	30		FEEDMO
N#Cc1ccccc1N1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)CC1	ZINC000052801010	540490108	/nfs/dbraw/zinc/49/01/08/540490108.db2.gz	UTBIVTGHEFHLNI-UHFFFAOYSA-N	1	1	365.462	2.340	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)CCCCC1	ZINC000052828561	540491969	/nfs/dbraw/zinc/49/19/69/540491969.db2.gz	QBNYIGRHUFHTKO-UHFFFAOYSA-N	1	1	369.469	2.075	20	30		FEEDMO
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCC#Cc2ccccc2)CC1	ZINC000052909786	540498753	/nfs/dbraw/zinc/49/87/53/540498753.db2.gz	SOFBQRKVSXYKFY-UHFFFAOYSA-N	1	1	371.481	2.143	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000053286884	540523754	/nfs/dbraw/zinc/52/37/54/540523754.db2.gz	FCIAISQLJXSKKF-SFHVURJKSA-N	1	1	365.433	2.461	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1	ZINC000053286884	540523757	/nfs/dbraw/zinc/52/37/57/540523757.db2.gz	FCIAISQLJXSKKF-SFHVURJKSA-N	1	1	365.433	2.461	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000054510219	540593406	/nfs/dbraw/zinc/59/34/06/540593406.db2.gz	BYXNEQRZHPNKDO-FQEVSTJZSA-N	1	1	369.513	2.117	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C1	ZINC000054939485	540618172	/nfs/dbraw/zinc/61/81/72/540618172.db2.gz	TVFANHYMMIVDGL-BEFAXECRSA-N	1	1	362.433	2.448	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)N(C)CCC#N)cc1	ZINC000056060056	540698196	/nfs/dbraw/zinc/69/81/96/540698196.db2.gz	GAXNFCNXJKTMNE-MRXNPFEDSA-N	1	1	364.515	2.241	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)N(C)CCC#N	ZINC000056064618	540698852	/nfs/dbraw/zinc/69/88/52/540698852.db2.gz	YEUYABWIZWHSPR-MRXNPFEDSA-N	1	1	364.515	2.241	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1	ZINC000057648989	540805953	/nfs/dbraw/zinc/80/59/53/540805953.db2.gz	FSLKUFLNWMONCT-UHFFFAOYSA-N	1	1	370.428	2.277	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1	ZINC000057648989	540805957	/nfs/dbraw/zinc/80/59/57/540805957.db2.gz	FSLKUFLNWMONCT-UHFFFAOYSA-N	1	1	370.428	2.277	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000057666168	540806501	/nfs/dbraw/zinc/80/65/01/540806501.db2.gz	CIHAFAOUWYLRQR-GASCZTMLSA-N	1	1	356.470	2.289	20	30		FEEDMO
CCN(CC)C(=O)C1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000058524731	540847671	/nfs/dbraw/zinc/84/76/71/540847671.db2.gz	WNEABGSUJLAUQB-MRXNPFEDSA-N	1	1	362.518	2.298	20	30		FEEDMO
CCOCCO[C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000058855814	540857484	/nfs/dbraw/zinc/85/74/84/540857484.db2.gz	JYPRSXMYWDRYNS-QGZVFWFLSA-N	1	1	359.470	2.034	20	30		FEEDMO
CCOCCO[C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000058855814	540857486	/nfs/dbraw/zinc/85/74/86/540857486.db2.gz	JYPRSXMYWDRYNS-QGZVFWFLSA-N	1	1	359.470	2.034	20	30		FEEDMO
Cc1cc(=NC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)[nH]n1CCC#N	ZINC000538614868	540872962	/nfs/dbraw/zinc/87/29/62/540872962.db2.gz	IPABOABLAHGMGU-UHFFFAOYSA-N	1	1	353.430	2.163	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000065253558	541230494	/nfs/dbraw/zinc/23/04/94/541230494.db2.gz	WZFYFGCROVHACA-MJGOQNOKSA-N	1	1	368.481	2.292	20	30		FEEDMO
C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437727	541318287	/nfs/dbraw/zinc/31/82/87/541318287.db2.gz	OFCFYUBAEAAUCG-QGZVFWFLSA-N	1	1	355.486	2.112	20	30		FEEDMO
C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437727	541318291	/nfs/dbraw/zinc/31/82/91/541318291.db2.gz	OFCFYUBAEAAUCG-QGZVFWFLSA-N	1	1	355.486	2.112	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1	ZINC000066561893	541335737	/nfs/dbraw/zinc/33/57/37/541335737.db2.gz	VIOKMERERRAKSV-HOTGVXAUSA-N	1	1	356.470	2.070	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@H](O)COCc2cccs2)CC1	ZINC000067460061	541467277	/nfs/dbraw/zinc/46/72/77/541467277.db2.gz	SNLWKWVAJXUGFB-KRWDZBQOSA-N	1	1	372.494	2.105	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@H](O)COc2ccccc2F)CC1	ZINC000067460041	541467322	/nfs/dbraw/zinc/46/73/22/541467322.db2.gz	KXMAWXIRIASGLJ-KRWDZBQOSA-N	1	1	370.428	2.044	20	30		FEEDMO
C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000068846630	541634626	/nfs/dbraw/zinc/63/46/26/541634626.db2.gz	UPSHCFHSFZCELH-XLIONFOSSA-N	1	1	371.481	2.177	20	30		FEEDMO
C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000068846630	541634627	/nfs/dbraw/zinc/63/46/27/541634627.db2.gz	UPSHCFHSFZCELH-XLIONFOSSA-N	1	1	371.481	2.177	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000071008672	541757635	/nfs/dbraw/zinc/75/76/35/541757635.db2.gz	QPCFWOBAXYWVDQ-MRXNPFEDSA-N	1	1	372.469	2.298	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000071009738	541758531	/nfs/dbraw/zinc/75/85/31/541758531.db2.gz	XCGLWBMHWVFAIC-INIZCTEOSA-N	1	1	372.469	2.156	20	30		FEEDMO
C[C@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(=O)Nc1cccc(C#N)c1	ZINC000073412324	541950234	/nfs/dbraw/zinc/95/02/34/541950234.db2.gz	ZVBBWQZKLVVLDV-AWEZNQCLSA-N	1	1	365.437	2.497	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c1	ZINC000076673597	542311103	/nfs/dbraw/zinc/31/11/03/542311103.db2.gz	VYXWTVUSBJNVQT-INIZCTEOSA-N	1	1	359.470	2.380	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C[C@@H]1CN(CC)c2ccccc2O1	ZINC000076748519	542320403	/nfs/dbraw/zinc/32/04/03/542320403.db2.gz	GOLULYQRGZHREL-DLBZAZTESA-N	1	1	358.486	2.214	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C[C@@H]1CN(CC)c2ccccc2O1	ZINC000076748519	542320407	/nfs/dbraw/zinc/32/04/07/542320407.db2.gz	GOLULYQRGZHREL-DLBZAZTESA-N	1	1	358.486	2.214	20	30		FEEDMO
C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1	ZINC000801946947	674156376	/nfs/dbraw/zinc/15/63/76/674156376.db2.gz	QTECGYNMMVRKIY-CABCVRRESA-N	1	1	351.472	2.148	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1	ZINC000080210586	542575571	/nfs/dbraw/zinc/57/55/71/542575571.db2.gz	MGFPQBBKOUUFCZ-AZUAARDMSA-N	1	1	373.497	2.435	20	30		FEEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000080446210	542590071	/nfs/dbraw/zinc/59/00/71/542590071.db2.gz	JZJHPBDLKOTWSS-SFHVURJKSA-N	1	1	369.513	2.139	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+](C)C1CCN(CCc2ccccn2)CC1	ZINC000081006009	542623221	/nfs/dbraw/zinc/62/32/21/542623221.db2.gz	JPSVCNZGHMAYPE-UHFFFAOYSA-N	1	1	358.530	2.445	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1	ZINC000081006009	542623225	/nfs/dbraw/zinc/62/32/25/542623225.db2.gz	JPSVCNZGHMAYPE-UHFFFAOYSA-N	1	1	358.530	2.445	20	30		FEEDMO
C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CCN(c2ccccn2)CC1	ZINC000080983686	542622081	/nfs/dbraw/zinc/62/20/81/542622081.db2.gz	OROZBZILASBGGG-UHFFFAOYSA-N	1	1	355.486	2.325	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CCNC(=O)COc1ccc(C#N)c(Br)c1	ZINC000828840840	675847887	/nfs/dbraw/zinc/84/78/87/675847887.db2.gz	WYAKKIDMDOVEKI-GFCCVEGCSA-N	1	1	366.259	2.300	20	30		FEEDMO
CC(C)OCC[NH+]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1	ZINC000081639635	542671253	/nfs/dbraw/zinc/67/12/53/542671253.db2.gz	CSPBGNJZSXKZNN-UHFFFAOYSA-N	1	1	355.442	2.151	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3cc(C#N)cn3C)CC2)C[C@H](C)O1	ZINC000081808713	542678071	/nfs/dbraw/zinc/67/80/71/542678071.db2.gz	DKYCGZRJWPYVQP-IYBDPMFKSA-N	1	1	358.486	2.248	20	30		FEEDMO
NS(=O)(=O)CC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000089992911	542780103	/nfs/dbraw/zinc/78/01/03/542780103.db2.gz	VBYMOWYQGRRYQZ-UHFFFAOYSA-N	1	1	360.401	2.057	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](Cc3ccccc3)C2)CC1	ZINC000091581409	542813417	/nfs/dbraw/zinc/81/34/17/542813417.db2.gz	ISJMWIRWMQGQQA-RTWAWAEBSA-N	1	1	368.525	2.243	20	30		FEEDMO
COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCC(=O)N(C)CCC#N	ZINC000092804532	542887965	/nfs/dbraw/zinc/88/79/65/542887965.db2.gz	FTJHQPFLSOGKPS-QGZVFWFLSA-N	1	1	372.469	2.169	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000093329170	542927371	/nfs/dbraw/zinc/92/73/71/542927371.db2.gz	QMQQIFRYJYLJIY-CQSZACIVSA-N	1	1	370.375	2.316	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000097477123	543012452	/nfs/dbraw/zinc/01/24/52/543012452.db2.gz	GVTUQTVIKNNEHP-IRXDYDNUSA-N	1	1	372.517	2.192	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000097477123	543012453	/nfs/dbraw/zinc/01/24/53/543012453.db2.gz	GVTUQTVIKNNEHP-IRXDYDNUSA-N	1	1	372.517	2.192	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2S(=O)(=O)CC)CC1	ZINC000106038062	543186340	/nfs/dbraw/zinc/18/63/40/543186340.db2.gz	HGJYWDZVYPXYRW-UHFFFAOYSA-N	1	1	350.484	2.251	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@@H]1CCCN1c1cccnn1	ZINC000106089015	543193941	/nfs/dbraw/zinc/19/39/41/543193941.db2.gz	JBEACQBJLCECQM-HNNXBMFYSA-N	1	1	370.482	2.339	20	30		FEEDMO
C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCCOC1	ZINC000107690609	543275281	/nfs/dbraw/zinc/27/52/81/543275281.db2.gz	QGZADYZKMLXWDL-HNNXBMFYSA-N	1	1	353.426	2.041	20	30		FEEDMO
CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000108874388	543306518	/nfs/dbraw/zinc/30/65/18/543306518.db2.gz	CTTLJVXLGNNIGK-UHFFFAOYSA-N	1	1	361.389	2.293	20	30		FEEDMO
CC[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000108874388	543306519	/nfs/dbraw/zinc/30/65/19/543306519.db2.gz	CTTLJVXLGNNIGK-UHFFFAOYSA-N	1	1	361.389	2.293	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCn1cccn1	ZINC000111283009	543392287	/nfs/dbraw/zinc/39/22/87/543392287.db2.gz	UCSUDMCTLOAAIA-MRXNPFEDSA-N	1	1	355.442	2.159	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCn1cccn1	ZINC000111283009	543392288	/nfs/dbraw/zinc/39/22/88/543392288.db2.gz	UCSUDMCTLOAAIA-MRXNPFEDSA-N	1	1	355.442	2.159	20	30		FEEDMO
C=C[C@@](C)(O)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC000616327019	676246078	/nfs/dbraw/zinc/24/60/78/676246078.db2.gz	TYOJQVWRXAFCPK-QGZVFWFLSA-N	1	1	367.287	2.467	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@H](C)C1	ZINC000115274724	543557523	/nfs/dbraw/zinc/55/75/23/543557523.db2.gz	BRMFZICHDZOYPI-AEFFLSMTSA-N	1	1	359.470	2.190	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C#N)nc3)CC2)cs1	ZINC000115380043	543563859	/nfs/dbraw/zinc/56/38/59/543563859.db2.gz	WVVCICVMIXCWJA-UHFFFAOYSA-N	1	1	355.467	2.360	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000118104352	543645510	/nfs/dbraw/zinc/64/55/10/543645510.db2.gz	DPTCTWOQTIJMKF-FQEVSTJZSA-N	1	1	361.445	2.235	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCN(C(=O)C2CC2)CC1	ZINC000121290534	543692347	/nfs/dbraw/zinc/69/23/47/543692347.db2.gz	MXZFSLAZWJRJOB-IBGZPJMESA-N	1	1	358.482	2.099	20	30		FEEDMO
C=CCCS(=O)(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000119606657	543670070	/nfs/dbraw/zinc/67/00/70/543670070.db2.gz	WXSIASVPATUCJG-IYBDPMFKSA-N	1	1	352.500	2.291	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@H](Cc2nccn2C)C1)C1(C#N)CCCCC1	ZINC000123578242	543770334	/nfs/dbraw/zinc/77/03/34/543770334.db2.gz	UQWZAAIWCFBINM-QGZVFWFLSA-N	1	1	357.502	2.359	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[N@@H+]1C1CC1	ZINC000124010875	543796212	/nfs/dbraw/zinc/79/62/12/543796212.db2.gz	GCABBARAYGEKBL-ZYHUDNBSSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[N@H+]1C1CC1	ZINC000124010875	543796214	/nfs/dbraw/zinc/79/62/14/543796214.db2.gz	GCABBARAYGEKBL-ZYHUDNBSSA-N	1	1	373.400	2.481	20	30		FEEDMO
CCOC(=O)CC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000125098678	543860714	/nfs/dbraw/zinc/86/07/14/543860714.db2.gz	KYCIEXHKLRZDPJ-SFHVURJKSA-N	1	1	355.438	2.329	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1	ZINC000126305304	543928738	/nfs/dbraw/zinc/92/87/38/543928738.db2.gz	YUPIXRRWIXJIOH-GFCCVEGCSA-N	1	1	372.252	2.458	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1	ZINC000126305304	543928740	/nfs/dbraw/zinc/92/87/40/543928740.db2.gz	YUPIXRRWIXJIOH-GFCCVEGCSA-N	1	1	372.252	2.458	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+](C)[C@H](CO)c1cccc(Br)c1	ZINC000125694155	543896416	/nfs/dbraw/zinc/89/64/16/543896416.db2.gz	IREAZAJJYSHYMO-OAHLLOKOSA-N	1	1	368.275	2.176	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](CO)c1cccc(Br)c1	ZINC000125694155	543896420	/nfs/dbraw/zinc/89/64/20/543896420.db2.gz	IREAZAJJYSHYMO-OAHLLOKOSA-N	1	1	368.275	2.176	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2nnc(-c3ccccc3)[nH]2)CC1	ZINC000128051722	544029265	/nfs/dbraw/zinc/02/92/65/544029265.db2.gz	CDROJFZWXZJYFZ-SFHVURJKSA-N	1	1	363.465	2.480	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C[N@H+]1C1CC1	ZINC000127325503	543986380	/nfs/dbraw/zinc/98/63/80/543986380.db2.gz	DLOZLQIMTZKOLA-NVXWUHKLSA-N	1	1	353.470	2.015	20	30		FEEDMO
C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1CC(F)(F)F	ZINC000128116543	544033723	/nfs/dbraw/zinc/03/37/23/544033723.db2.gz	OZXFVDDCSVVZNG-ZDUSSCGKSA-N	1	1	354.376	2.455	20	30		FEEDMO
C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1CC(F)(F)F	ZINC000128116543	544033726	/nfs/dbraw/zinc/03/37/26/544033726.db2.gz	OZXFVDDCSVVZNG-ZDUSSCGKSA-N	1	1	354.376	2.455	20	30		FEEDMO
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000128202417	544038835	/nfs/dbraw/zinc/03/88/35/544038835.db2.gz	FCRQCYYCQOACSC-HLLBOEOZSA-N	1	1	372.469	2.043	20	30		FEEDMO
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000128202417	544038838	/nfs/dbraw/zinc/03/88/38/544038838.db2.gz	FCRQCYYCQOACSC-HLLBOEOZSA-N	1	1	372.469	2.043	20	30		FEEDMO
C=CCOc1cccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)c1	ZINC000129288207	544102630	/nfs/dbraw/zinc/10/26/30/544102630.db2.gz	DVWRJFWPJZVEDA-UHFFFAOYSA-N	1	1	357.498	2.382	20	30		FEEDMO
C=CCOc1cccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1	ZINC000129288207	544102631	/nfs/dbraw/zinc/10/26/31/544102631.db2.gz	DVWRJFWPJZVEDA-UHFFFAOYSA-N	1	1	357.498	2.382	20	30		FEEDMO
C=CCOc1cccc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1	ZINC000129288207	544102634	/nfs/dbraw/zinc/10/26/34/544102634.db2.gz	DVWRJFWPJZVEDA-UHFFFAOYSA-N	1	1	357.498	2.382	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNc3nccc(C#N)c3[N+](=O)[O-])cc2)CC1	ZINC000133148710	544257889	/nfs/dbraw/zinc/25/78/89/544257889.db2.gz	NASATLDMZZORAJ-UHFFFAOYSA-N	1	1	366.425	2.221	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000133995474	544290760	/nfs/dbraw/zinc/29/07/60/544290760.db2.gz	KDCWMYPTKYTXQS-MRXNPFEDSA-N	1	1	372.469	2.108	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@H](C(=O)OC)C1	ZINC000135468500	544348330	/nfs/dbraw/zinc/34/83/30/544348330.db2.gz	BUZPMYAUBJHRIZ-ROUUACIJSA-N	1	1	357.454	2.027	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000136325692	544371462	/nfs/dbraw/zinc/37/14/62/544371462.db2.gz	BCZKMGNQXUOXDH-OAHLLOKOSA-N	1	1	360.433	2.407	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)C1CC[NH+](Cc2nccn2C)CC1	ZINC000150295110	544462336	/nfs/dbraw/zinc/46/23/36/544462336.db2.gz	YJKSGWLOKOJMAO-UHFFFAOYSA-N	1	1	353.426	2.151	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCC(C#N)CC3)C2)cc(OC)c1	ZINC000151507825	544550709	/nfs/dbraw/zinc/55/07/09/544550709.db2.gz	GGBGYUDONAVGLT-KRWDZBQOSA-N	1	1	372.469	2.223	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CCC(C#N)CC3)C2)cc(OC)c1	ZINC000151507825	544550714	/nfs/dbraw/zinc/55/07/14/544550714.db2.gz	GGBGYUDONAVGLT-KRWDZBQOSA-N	1	1	372.469	2.223	20	30		FEEDMO
C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153267667	544753744	/nfs/dbraw/zinc/75/37/44/544753744.db2.gz	WNQRDVAWHWAXRU-KGLIPLIRSA-N	1	1	366.469	2.094	20	30		FEEDMO
CCOc1cc(C#N)cc(Cl)c1OC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000153565781	544792286	/nfs/dbraw/zinc/79/22/86/544792286.db2.gz	BSDMIVDGJSSUEN-UMVBOHGHSA-N	1	1	368.861	2.459	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)C[NH+]1CCOCC1	ZINC000153588846	544795334	/nfs/dbraw/zinc/79/53/34/544795334.db2.gz	IBFSXQYRRJAPJO-LBPRGKRZSA-N	1	1	368.384	2.249	20	30		FEEDMO
C#CCOc1ccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1	ZINC000154375372	544898184	/nfs/dbraw/zinc/89/81/84/544898184.db2.gz	RZCDJRJCJQVGPG-YOFSQIOKSA-N	1	1	367.493	2.082	20	30		FEEDMO
CC(C)[C@H](C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)C	ZINC000803492081	674245924	/nfs/dbraw/zinc/24/59/24/674245924.db2.gz	BMRPBLGIPSTVEL-BWRBCVJASA-N	1	1	351.491	2.435	20	30		FEEDMO
C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nnc2ccccn21	ZINC000182673395	327784107	/nfs/dbraw/zinc/78/41/07/327784107.db2.gz	OQAUPOZBRMYWRU-WMLDXEAASA-N	1	1	360.421	2.447	20	30		FEEDMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sccc1C#N	ZINC000188150956	328069748	/nfs/dbraw/zinc/06/97/48/328069748.db2.gz	LOGQVZIGYSUAOH-IBGZPJMESA-N	1	1	355.463	2.329	20	30		FEEDMO
CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1	ZINC000188751560	328108691	/nfs/dbraw/zinc/10/86/91/328108691.db2.gz	QLMHSYWTWBXUTD-UHFFFAOYSA-N	1	1	366.421	2.357	20	30		FEEDMO
COC(=O)c1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)oc1C	ZINC000190838520	328235427	/nfs/dbraw/zinc/23/54/27/328235427.db2.gz	QDSJOKCQZZLOPL-SFHVURJKSA-N	1	1	367.405	2.137	20	30		FEEDMO
Cn1cc([C@@H]2CSCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)cn1	ZINC000191200599	328253780	/nfs/dbraw/zinc/25/37/80/328253780.db2.gz	LWTFSIVACDYOQA-KRWDZBQOSA-N	1	1	355.467	2.410	20	30		FEEDMO
Cn1cc([C@@H]2CSCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)cn1	ZINC000191200599	328253781	/nfs/dbraw/zinc/25/37/81/328253781.db2.gz	LWTFSIVACDYOQA-KRWDZBQOSA-N	1	1	355.467	2.410	20	30		FEEDMO
COC(=O)[C@@H](O)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1	ZINC000191814977	328283367	/nfs/dbraw/zinc/28/33/67/328283367.db2.gz	WPXDZQBNPJKYND-HNNXBMFYSA-N	1	1	367.243	2.067	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1	ZINC000011419819	324370708	/nfs/dbraw/zinc/37/07/08/324370708.db2.gz	KTVSOPNYMXWBHN-UHFFFAOYSA-N	1	1	374.510	2.381	20	30		FEEDMO
N#Cc1cccc(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1	ZINC000089682457	325327063	/nfs/dbraw/zinc/32/70/63/325327063.db2.gz	CFMMAJFIGAVFFC-MOPGFXCFSA-N	1	1	350.422	2.315	20	30		FEEDMO
CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000089943676	325343887	/nfs/dbraw/zinc/34/38/87/325343887.db2.gz	SVOBAZVIYUOJAT-LBPRGKRZSA-N	1	1	372.498	2.477	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCN1CCCc2ccccc21	ZINC000090552221	325363472	/nfs/dbraw/zinc/36/34/72/325363472.db2.gz	FLPDDXIHHAHYGU-QGZVFWFLSA-N	1	1	362.481	2.312	20	30		FEEDMO
C[C@H]1CN(C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C[C@H](C)O1	ZINC000104714432	325543092	/nfs/dbraw/zinc/54/30/92/325543092.db2.gz	AOPMDVQSVINAMJ-HOTGVXAUSA-N	1	1	357.454	2.037	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(c3nnc4ccccn43)CC2)cc1	ZINC000115532672	325963213	/nfs/dbraw/zinc/96/32/13/325963213.db2.gz	WWJVVPIJIDQWFC-SFHVURJKSA-N	1	1	360.421	2.007	20	30		FEEDMO
C[C@@H](c1cccnc1)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000118836553	326106702	/nfs/dbraw/zinc/10/67/02/326106702.db2.gz	YIYQRFVZDSLQCY-PXNSSMCTSA-N	1	1	366.465	2.072	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000119374046	326155327	/nfs/dbraw/zinc/15/53/27/326155327.db2.gz	WRLKVMPVKAIJPG-HNNXBMFYSA-N	1	1	366.469	2.034	20	30		FEEDMO
C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000119859394	326205938	/nfs/dbraw/zinc/20/59/38/326205938.db2.gz	UWRKFXJNNWYSHC-MAUKXSAKSA-N	1	1	368.481	2.057	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1	ZINC000120085154	326228756	/nfs/dbraw/zinc/22/87/56/326228756.db2.gz	UGBUADBPQQKWLU-VQIMIIECSA-N	1	1	366.465	2.362	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(F)c(C#N)c2)C1	ZINC000120183384	326238813	/nfs/dbraw/zinc/23/88/13/326238813.db2.gz	FZNMMMICVXJRDN-AWEZNQCLSA-N	1	1	353.463	2.344	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C#N	ZINC000120713170	326281182	/nfs/dbraw/zinc/28/11/82/326281182.db2.gz	PCPNCMPOSHLQDH-PBHICJAKSA-N	1	1	372.469	2.225	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C(=O)NC2CC2)cc1Cl	ZINC000121370652	326333232	/nfs/dbraw/zinc/33/32/32/326333232.db2.gz	UFJZLSQMJUQPSZ-MRXNPFEDSA-N	1	1	360.845	2.283	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCCN(c2ccccc2F)C1=O	ZINC000121463898	326340562	/nfs/dbraw/zinc/34/05/62/326340562.db2.gz	NTHHIKFOKZNVHQ-KRWDZBQOSA-N	1	1	370.432	2.063	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000162185650	327019239	/nfs/dbraw/zinc/01/92/39/327019239.db2.gz	KYFUTDRHMCMSMN-CYBMUJFWSA-N	1	1	361.389	2.340	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccccc1C#N	ZINC000162328982	327022717	/nfs/dbraw/zinc/02/27/17/327022717.db2.gz	JCGOZZXGFBFPEN-QAPCUYQASA-N	1	1	355.463	2.357	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000162723388	327033030	/nfs/dbraw/zinc/03/30/30/327033030.db2.gz	LAWRPELDQAURPQ-GOSISDBHSA-N	1	1	374.485	2.079	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c1	ZINC000164712386	327073365	/nfs/dbraw/zinc/07/33/65/327073365.db2.gz	PSMSGBTUGUXSCY-UHFFFAOYSA-N	1	1	365.474	2.477	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1C#N	ZINC000173277561	327246308	/nfs/dbraw/zinc/24/63/08/327246308.db2.gz	WUACQIWPFZXUEB-CVEARBPZSA-N	1	1	354.454	2.279	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000173531309	327264377	/nfs/dbraw/zinc/26/43/77/327264377.db2.gz	CPBKVYHISJIPRP-CQSZACIVSA-N	1	1	371.384	2.212	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](CO)C2)c1C#N	ZINC000174704796	327344330	/nfs/dbraw/zinc/34/43/30/327344330.db2.gz	ITAATFLGNYXWFW-GOSISDBHSA-N	1	1	366.465	2.278	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](CO)C2)c1C#N	ZINC000174704796	327344331	/nfs/dbraw/zinc/34/43/31/327344331.db2.gz	ITAATFLGNYXWFW-GOSISDBHSA-N	1	1	366.465	2.278	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000174783759	327350779	/nfs/dbraw/zinc/35/07/79/327350779.db2.gz	QROYNVYTOCAAFN-SJORKVTESA-N	1	1	363.483	2.174	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](CC(N)=O)C1	ZINC000175225070	327381303	/nfs/dbraw/zinc/38/13/03/327381303.db2.gz	MLMMTJJUCFTUEN-NWDGAFQWSA-N	1	1	360.483	2.023	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](CC(N)=O)C1	ZINC000175225070	327381305	/nfs/dbraw/zinc/38/13/05/327381305.db2.gz	MLMMTJJUCFTUEN-NWDGAFQWSA-N	1	1	360.483	2.023	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1C(F)(F)F	ZINC000177665344	327536552	/nfs/dbraw/zinc/53/65/52/327536552.db2.gz	UMOOYHPNJCKSPU-CYBMUJFWSA-N	1	1	371.384	2.212	20	30		FEEDMO
C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccc(C#N)cc1	ZINC000264279317	329007060	/nfs/dbraw/zinc/00/70/60/329007060.db2.gz	REEXSPPKHNYROT-MRXNPFEDSA-N	1	1	357.502	2.287	20	30		FEEDMO
C[C@@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccc(C#N)cc1	ZINC000264279317	329007061	/nfs/dbraw/zinc/00/70/61/329007061.db2.gz	REEXSPPKHNYROT-MRXNPFEDSA-N	1	1	357.502	2.287	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCn3cccc3)CC2)cc1	ZINC000267781423	329357555	/nfs/dbraw/zinc/35/75/55/329357555.db2.gz	NGPKYIVDMRQWLB-UHFFFAOYSA-N	1	1	351.454	2.277	20	30		FEEDMO
COCCOc1ccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)cc1	ZINC000271023173	329655530	/nfs/dbraw/zinc/65/55/30/329655530.db2.gz	BTBNQQIIYQGOBS-UHFFFAOYSA-N	1	1	352.438	2.301	20	30		FEEDMO
COc1cccc([C@H](CNS(=O)(=O)Cc2ccc(C#N)cc2)[NH+](C)C)c1	ZINC000273062875	329834001	/nfs/dbraw/zinc/83/40/01/329834001.db2.gz	TWLZSRQBGVZZFL-IBGZPJMESA-N	1	1	373.478	2.289	20	30		FEEDMO
COC(=O)CCCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000275362897	330039835	/nfs/dbraw/zinc/03/98/35/330039835.db2.gz	WSZGWLCLHHXSMK-UHFFFAOYSA-N	1	1	357.454	2.326	20	30		FEEDMO
CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1	ZINC000364802402	330205329	/nfs/dbraw/zinc/20/53/29/330205329.db2.gz	FRLIRPRNEYVOGH-MRXNPFEDSA-N	1	1	367.453	2.242	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1	ZINC000367178638	330226421	/nfs/dbraw/zinc/22/64/21/330226421.db2.gz	ACBWPDVNULCJJA-HNNXBMFYSA-N	1	1	361.492	2.420	20	30		FEEDMO
N#Cc1ccncc1C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000553977005	674297999	/nfs/dbraw/zinc/29/79/99/674297999.db2.gz	LXXQXGQGWWNRGY-QGZVFWFLSA-N	1	1	352.463	2.301	20	30		FEEDMO
N#Cc1ccncc1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000553977005	674298001	/nfs/dbraw/zinc/29/80/01/674298001.db2.gz	LXXQXGQGWWNRGY-QGZVFWFLSA-N	1	1	352.463	2.301	20	30		FEEDMO
C=CCc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000555566210	674367096	/nfs/dbraw/zinc/36/70/96/674367096.db2.gz	IFBJGSAIYRNCGE-JKIFEVAISA-N	1	1	350.415	2.172	20	30		FEEDMO
C=CCc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000555566210	674367098	/nfs/dbraw/zinc/36/70/98/674367098.db2.gz	IFBJGSAIYRNCGE-JKIFEVAISA-N	1	1	350.415	2.172	20	30		FEEDMO
CNC(=O)CCC[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	ZINC000155315276	545509857	/nfs/dbraw/zinc/50/98/57/545509857.db2.gz	JDENGPYFPMLEMZ-CQSZACIVSA-N	1	1	362.499	2.477	20	30		FEEDMO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1	ZINC000155466700	545530012	/nfs/dbraw/zinc/53/00/12/545530012.db2.gz	KFMWLAAXSOLBPK-QGZVFWFLSA-N	1	1	371.481	2.121	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)C[C@@H](C)O)c1C#N	ZINC000156271233	545613098	/nfs/dbraw/zinc/61/30/98/545613098.db2.gz	GJVUACAGTPXYGY-CYBMUJFWSA-N	1	1	358.442	2.259	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)C[C@@H](C)O)c1C#N	ZINC000156301672	545616418	/nfs/dbraw/zinc/61/64/18/545616418.db2.gz	CFKIEBDRWFHYQJ-GFCCVEGCSA-N	1	1	358.417	2.356	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)C[C@@H](C)O)c1C#N	ZINC000156301672	545616423	/nfs/dbraw/zinc/61/64/23/545616423.db2.gz	CFKIEBDRWFHYQJ-GFCCVEGCSA-N	1	1	358.417	2.356	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000156743109	545655120	/nfs/dbraw/zinc/65/51/20/545655120.db2.gz	KGQJXAWXPOHDNH-CQSZACIVSA-N	1	1	362.861	2.340	20	30		FEEDMO
CC(C)CC(=O)NCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000159287450	545939895	/nfs/dbraw/zinc/93/98/95/545939895.db2.gz	IKVAUSYGERKJGC-UHFFFAOYSA-N	1	1	370.497	2.145	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O	ZINC000528782620	562347376	/nfs/dbraw/zinc/34/73/76/562347376.db2.gz	FAAKYAWMOBTQGK-PWGYJQOZSA-N	1	1	365.543	2.291	20	30		FEEDMO
C[N@H+]1CCCN(C(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)CC1	ZINC000161986560	546136516	/nfs/dbraw/zinc/13/65/16/546136516.db2.gz	NNFINQXDFDAJPP-UHFFFAOYSA-N	1	1	361.445	2.189	20	30		FEEDMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CC1	ZINC000165785984	546153032	/nfs/dbraw/zinc/15/30/32/546153032.db2.gz	FLRCPENCNDSXAZ-SFHVURJKSA-N	1	1	361.511	2.464	20	30		FEEDMO
N#CCCn1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1	ZINC000173343380	546278850	/nfs/dbraw/zinc/27/88/50/546278850.db2.gz	CJUZJVQKYOIJIN-SFHVURJKSA-N	1	1	366.469	2.483	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000173469248	546282169	/nfs/dbraw/zinc/28/21/69/546282169.db2.gz	DEPARLISAJCBJR-CABCVRRESA-N	1	1	361.446	2.289	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000173469248	546282174	/nfs/dbraw/zinc/28/21/74/546282174.db2.gz	DEPARLISAJCBJR-CABCVRRESA-N	1	1	361.446	2.289	20	30		FEEDMO
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12	ZINC000174846130	546304402	/nfs/dbraw/zinc/30/44/02/546304402.db2.gz	AZAOVRUKTYFYGU-GJZGRUSLSA-N	1	1	352.438	2.323	20	30		FEEDMO
CN(CC(=O)N(CCC#N)CCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000174946279	546305367	/nfs/dbraw/zinc/30/53/67/546305367.db2.gz	QWIUMHJYRRCPOE-FQEVSTJZSA-N	1	1	367.497	2.239	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1	ZINC000175157228	546306891	/nfs/dbraw/zinc/30/68/91/546306891.db2.gz	FQUHAONJQUVMJB-SFHVURJKSA-N	1	1	356.470	2.033	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1	ZINC000175157228	546306896	/nfs/dbraw/zinc/30/68/96/546306896.db2.gz	FQUHAONJQUVMJB-SFHVURJKSA-N	1	1	356.470	2.033	20	30		FEEDMO
CC(C)(C#N)CNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000479816498	561197592	/nfs/dbraw/zinc/19/75/92/561197592.db2.gz	OHHOJFOEFMQDSY-UHFFFAOYSA-N	1	1	357.502	2.043	20	30		FEEDMO
CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CC#Cc1ccc(Cl)cc1	ZINC000177035923	546528657	/nfs/dbraw/zinc/52/86/57/546528657.db2.gz	SIFGVGXCANGNGX-QGZVFWFLSA-N	1	1	354.903	2.485	20	30		FEEDMO
CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1	ZINC000177035923	546528661	/nfs/dbraw/zinc/52/86/61/546528661.db2.gz	SIFGVGXCANGNGX-QGZVFWFLSA-N	1	1	354.903	2.485	20	30		FEEDMO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC(Cc2[nH+]ccn2C)CC1	ZINC000177056857	546535318	/nfs/dbraw/zinc/53/53/18/546535318.db2.gz	QFIUWQNGFOPJDG-IBGZPJMESA-N	1	1	352.438	2.461	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000177451691	546621448	/nfs/dbraw/zinc/62/14/48/546621448.db2.gz	KTWINEWCNGNQRE-IFXJQAMLSA-N	1	1	361.417	2.346	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000177898503	546705097	/nfs/dbraw/zinc/70/50/97/546705097.db2.gz	MXQJXJBSVQUOBB-GOSISDBHSA-N	1	1	368.412	2.238	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc(COc3cccc(C(=O)OC)c3)no2)CC1	ZINC000178230445	546761523	/nfs/dbraw/zinc/76/15/23/546761523.db2.gz	PRKLVKGYHFYFRO-UHFFFAOYSA-N	1	1	355.394	2.248	20	30		FEEDMO
COC(=O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000179130803	546903661	/nfs/dbraw/zinc/90/36/61/546903661.db2.gz	XWNGFERODXMJQK-GFCCVEGCSA-N	1	1	361.467	2.465	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC=C(c3ccccc3)CC2)CC1	ZINC000180516387	547122785	/nfs/dbraw/zinc/12/27/85/547122785.db2.gz	AOMXSLYBMBQRTL-NRFANRHFSA-N	1	1	366.509	2.468	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)CC1	ZINC000180516387	547122789	/nfs/dbraw/zinc/12/27/89/547122789.db2.gz	AOMXSLYBMBQRTL-NRFANRHFSA-N	1	1	366.509	2.468	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@](C)(O)C2)c1C#N	ZINC000483058147	561266242	/nfs/dbraw/zinc/26/62/42/561266242.db2.gz	ZAUUBXJEHZCTFF-HXUWFJFHSA-N	1	1	370.453	2.403	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(Br)c1	ZINC000181121007	547253905	/nfs/dbraw/zinc/25/39/05/547253905.db2.gz	VUIDMZRWPKMZPK-OAHLLOKOSA-N	1	1	350.260	2.227	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c(Br)c1	ZINC000181121007	547253909	/nfs/dbraw/zinc/25/39/09/547253909.db2.gz	VUIDMZRWPKMZPK-OAHLLOKOSA-N	1	1	350.260	2.227	20	30		FEEDMO
COC(=O)c1ccc(N2CC[N@H+](Cc3cc(C#N)n(C)c3)[C@@H](C)C2)cc1	ZINC000483257063	561271922	/nfs/dbraw/zinc/27/19/22/561271922.db2.gz	PPUCQHMBVRAQKB-HNNXBMFYSA-N	1	1	352.438	2.394	20	30		FEEDMO
COC(=O)c1ccc(N2CC[N@@H+](Cc3cc(C#N)n(C)c3)[C@@H](C)C2)cc1	ZINC000483257063	561271923	/nfs/dbraw/zinc/27/19/23/561271923.db2.gz	PPUCQHMBVRAQKB-HNNXBMFYSA-N	1	1	352.438	2.394	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000181744630	547372876	/nfs/dbraw/zinc/37/28/76/547372876.db2.gz	XUTSDXJYKHOJLS-OAGGEKHMSA-N	1	1	372.469	2.153	20	30		FEEDMO
CC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1cccc(S(N)(=O)=O)c1	ZINC000181751691	547374442	/nfs/dbraw/zinc/37/44/42/547374442.db2.gz	MZBQGUCDOAZMGL-KRWDZBQOSA-N	1	1	359.451	2.455	20	30		FEEDMO
C[C@H](C#N)CNC(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000182640142	547525405	/nfs/dbraw/zinc/52/54/05/547525405.db2.gz	QRTWGDLPVAPFOQ-MRXNPFEDSA-N	1	1	374.485	2.135	20	30		FEEDMO
CC1(C)CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000182803163	547554280	/nfs/dbraw/zinc/55/42/80/547554280.db2.gz	BGOXJCFUELFWDU-SFHVURJKSA-N	1	1	358.461	2.266	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N(C)CCC[NH+]1CCN(C)CC1	ZINC000182832673	547558551	/nfs/dbraw/zinc/55/85/51/547558551.db2.gz	WLSRHKFUYFSSLX-UHFFFAOYSA-N	1	1	360.502	2.030	20	30		FEEDMO
CN(C(=O)C[NH2+][C@H](C[S@](C)=O)c1ccccc1)C1(C#N)CCCCC1	ZINC000183080671	547598207	/nfs/dbraw/zinc/59/82/07/547598207.db2.gz	KLSKSYLYHMNNOS-NSYGIPOTSA-N	1	1	361.511	2.381	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1cccc(Br)c1	ZINC000183899719	547736943	/nfs/dbraw/zinc/73/69/43/547736943.db2.gz	BSJHBOLXAIYDJK-ZBFHGGJFSA-N	1	1	368.275	2.127	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+](CCN(C)C)CC1	ZINC000184340982	547809853	/nfs/dbraw/zinc/80/98/53/547809853.db2.gz	BHNSHVJKTGFNKD-OAHLLOKOSA-N	1	1	359.474	2.125	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC[C@@H]21	ZINC000184597047	547851379	/nfs/dbraw/zinc/85/13/79/547851379.db2.gz	OBRBUGPQQNDROB-WBVHZDCISA-N	1	1	365.441	2.087	20	30		FEEDMO
C=CCSc1ccccc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000485473725	561319957	/nfs/dbraw/zinc/31/99/57/561319957.db2.gz	HNFZTDAVJBYISN-UHFFFAOYSA-N	1	1	361.511	2.247	20	30		FEEDMO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCC[N@H+]1CCCOCC1	ZINC000186858840	548207840	/nfs/dbraw/zinc/20/78/40/548207840.db2.gz	OUZKMNNRNVYIGJ-UHFFFAOYSA-N	1	1	369.387	2.078	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000187114365	548251424	/nfs/dbraw/zinc/25/14/24/548251424.db2.gz	RKFRDHOXNGJTDB-FQEVSTJZSA-N	1	1	363.477	2.293	20	30		FEEDMO
C=CCN(CCOC)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000191052736	548338849	/nfs/dbraw/zinc/33/88/49/548338849.db2.gz	KYNYBQYSZUOPIZ-GOSISDBHSA-N	1	1	360.502	2.041	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2nc(C(=O)OCC)cs2)CC1	ZINC000191573954	548348326	/nfs/dbraw/zinc/34/83/26/548348326.db2.gz	IUMNORPBIMPRNM-GFCCVEGCSA-N	1	1	351.472	2.190	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000194634179	548509447	/nfs/dbraw/zinc/50/94/47/548509447.db2.gz	JCHRXLFWLPBXAU-SFHVURJKSA-N	1	1	362.433	2.135	20	30		FEEDMO
C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[N@H+]1CCC[C@H](C)C1	ZINC000245394448	548906114	/nfs/dbraw/zinc/90/61/14/548906114.db2.gz	FQAJMPQLRLYNFH-LSDHHAIUSA-N	1	1	366.469	2.176	20	30		FEEDMO
COCC[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1	ZINC000487965037	561380121	/nfs/dbraw/zinc/38/01/21/561380121.db2.gz	CYOGWKAMPMUHQD-UHFFFAOYSA-N	1	1	367.247	2.117	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1C#N	ZINC000245673639	548971834	/nfs/dbraw/zinc/97/18/34/548971834.db2.gz	SRJWFWJACUOABS-OALUTQOASA-N	1	1	362.433	2.367	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H]1C	ZINC000245858526	549005601	/nfs/dbraw/zinc/00/56/01/549005601.db2.gz	HLLOZHPIVFFRJQ-IXDOHACOSA-N	1	1	360.527	2.435	20	30		FEEDMO
CC(C)(CCC#N)CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000489141096	561404267	/nfs/dbraw/zinc/40/42/67/561404267.db2.gz	RYGPMGTZAJCHSR-UHFFFAOYSA-N	1	1	372.517	2.223	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)cc1	ZINC000247710608	549374469	/nfs/dbraw/zinc/37/44/69/549374469.db2.gz	IZMCTRRXZIIUAE-OAQYLSRUSA-N	1	1	365.477	2.310	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)cc1	ZINC000247710606	549375006	/nfs/dbraw/zinc/37/50/06/549375006.db2.gz	IZMCTRRXZIIUAE-NRFANRHFSA-N	1	1	365.477	2.310	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000248344744	549420433	/nfs/dbraw/zinc/42/04/33/549420433.db2.gz	LYVMEBZUABEZJV-MSOLQXFVSA-N	1	1	370.497	2.137	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000248605465	549466886	/nfs/dbraw/zinc/46/68/86/549466886.db2.gz	WBZQTVLMIWNLRC-MNEFBYGVSA-N	1	1	359.470	2.209	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1	ZINC000249683994	549615415	/nfs/dbraw/zinc/61/54/15/549615415.db2.gz	JMGVCGLHYTWRKS-DOTOQJQBSA-N	1	1	371.485	2.049	20	30		FEEDMO
COc1cccc(C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H]2CCCO2)c1	ZINC000249743576	549623460	/nfs/dbraw/zinc/62/34/60/549623460.db2.gz	KQHOTRDOVHNWSO-CTNGQTDRSA-N	1	1	371.481	2.485	20	30		FEEDMO
COc1cccc(C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@H]2CCCO2)c1	ZINC000249743576	549623464	/nfs/dbraw/zinc/62/34/64/549623464.db2.gz	KQHOTRDOVHNWSO-CTNGQTDRSA-N	1	1	371.481	2.485	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000250642491	549643741	/nfs/dbraw/zinc/64/37/41/549643741.db2.gz	VRBBBTPSUOOSLS-STQMWFEESA-N	1	1	362.861	2.387	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1	ZINC000251920312	549658068	/nfs/dbraw/zinc/65/80/68/549658068.db2.gz	SICLGDUTRWGKBA-WFASDCNBSA-N	1	1	351.834	2.276	20	30		FEEDMO
C=C[C@@H](CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1	ZINC000252801226	549678652	/nfs/dbraw/zinc/67/86/52/549678652.db2.gz	ACFKMIJDHZVMLA-PKOBYXMFSA-N	1	1	355.482	2.111	20	30		FEEDMO
CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264106528	549979729	/nfs/dbraw/zinc/97/97/29/549979729.db2.gz	JOHTZXQHPLPECY-MRXNPFEDSA-N	1	1	359.470	2.333	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C(C)C	ZINC000265118168	550006147	/nfs/dbraw/zinc/00/61/47/550006147.db2.gz	YRZBMDQXCFSHNY-YESZJQIVSA-N	1	1	373.563	2.148	20	30		FEEDMO
C[NH+](C)CCOc1ccccc1N1CCN(CCCSCC#N)CC1	ZINC000267382988	550030583	/nfs/dbraw/zinc/03/05/83/550030583.db2.gz	MXEQFUVERJYBGU-UHFFFAOYSA-N	1	1	362.543	2.396	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1	ZINC000268169833	550037077	/nfs/dbraw/zinc/03/70/77/550037077.db2.gz	LOEXZXPGTARJAX-KBXCAEBGSA-N	1	1	357.454	2.179	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[C@@H]1C	ZINC000491470996	561445921	/nfs/dbraw/zinc/44/59/21/561445921.db2.gz	KKBXXBZWCPEJRM-JSGCOSHPSA-N	1	1	362.861	2.481	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OC	ZINC000268625028	550095817	/nfs/dbraw/zinc/09/58/17/550095817.db2.gz	JIXKCXIBIJVGJS-RDJZCZTQSA-N	1	1	363.454	2.493	20	30		FEEDMO
C=C[C@@H](CC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1	ZINC000270322855	550261755	/nfs/dbraw/zinc/26/17/55/550261755.db2.gz	VFOQHZMTTYJBDS-HKUYNNGSSA-N	1	1	357.498	2.405	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000270852719	550313653	/nfs/dbraw/zinc/31/36/53/550313653.db2.gz	MCJOXIJFUFOJTF-FPOVZHCZSA-N	1	1	363.461	2.480	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000270899102	550318435	/nfs/dbraw/zinc/31/84/35/550318435.db2.gz	MHLACTULTYEPOU-HZPDHXFCSA-N	1	1	361.511	2.348	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000270899102	550318436	/nfs/dbraw/zinc/31/84/36/550318436.db2.gz	MHLACTULTYEPOU-HZPDHXFCSA-N	1	1	361.511	2.348	20	30		FEEDMO
C=CCOc1ccc(C[NH+]2CCC(S(=O)(=O)NC)CC2)cc1Cl	ZINC000271199795	550351896	/nfs/dbraw/zinc/35/18/96/550351896.db2.gz	SUWHEQCXGRTLAM-UHFFFAOYSA-N	1	1	358.891	2.418	20	30		FEEDMO
COC[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(F)c(F)c1	ZINC000271823245	550404328	/nfs/dbraw/zinc/40/43/28/550404328.db2.gz	USXXQZDPRXPGAY-SFHVURJKSA-N	1	1	359.376	2.430	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000272594674	550459916	/nfs/dbraw/zinc/45/99/16/550459916.db2.gz	XRHVOKUKSFLCKA-HOTGVXAUSA-N	1	1	351.491	2.422	20	30		FEEDMO
C#CCCN1CC[NH+](C[C@H](O)COc2ccccc2C(F)(F)F)CC1	ZINC000273152157	550487446	/nfs/dbraw/zinc/48/74/46/550487446.db2.gz	MCZIQXNSUBFLST-HNNXBMFYSA-N	1	1	356.388	2.086	20	30		FEEDMO
C=CC[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1)C1CC1	ZINC000273540493	550502226	/nfs/dbraw/zinc/50/22/26/550502226.db2.gz	WXGGFMVBVJNYQN-UHFFFAOYSA-N	1	1	360.454	2.083	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000274783682	550554121	/nfs/dbraw/zinc/55/41/21/550554121.db2.gz	AJZUXPLAXHUVLN-HNNXBMFYSA-N	1	1	359.430	2.310	20	30		FEEDMO
COc1ccc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)cc1OCCCC#N	ZINC000274961426	550567870	/nfs/dbraw/zinc/56/78/70/550567870.db2.gz	UNILOBXNHUNEGJ-UHFFFAOYSA-N	1	1	354.410	2.019	20	30		FEEDMO
COc1ccc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)cc1OCCCC#N	ZINC000274961426	550567872	/nfs/dbraw/zinc/56/78/72/550567872.db2.gz	UNILOBXNHUNEGJ-UHFFFAOYSA-N	1	1	354.410	2.019	20	30		FEEDMO
COCCC[N@H+](CCO)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000275413146	550572117	/nfs/dbraw/zinc/57/21/17/550572117.db2.gz	GOSMAXQQCMUUBF-UHFFFAOYSA-N	1	1	367.877	2.226	20	30		FEEDMO
COCCC[N@@H+](CCO)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000275413146	550572118	/nfs/dbraw/zinc/57/21/18/550572118.db2.gz	GOSMAXQQCMUUBF-UHFFFAOYSA-N	1	1	367.877	2.226	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C	ZINC000276242079	550577574	/nfs/dbraw/zinc/57/75/74/550577574.db2.gz	OPYNXHFSKHAKFG-CEXWTWQISA-N	1	1	351.535	2.302	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@](=O)C1	ZINC000277439691	550670901	/nfs/dbraw/zinc/67/09/01/550670901.db2.gz	LGIOWRLXAZEXLB-YYUOZPCZSA-N	1	1	365.524	2.137	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@](=O)C1	ZINC000277439691	550670903	/nfs/dbraw/zinc/67/09/03/550670903.db2.gz	LGIOWRLXAZEXLB-YYUOZPCZSA-N	1	1	365.524	2.137	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C	ZINC000277716369	550705462	/nfs/dbraw/zinc/70/54/62/550705462.db2.gz	FQBWXVLFBCVGGO-QZTJIDSGSA-N	1	1	361.486	2.145	20	30		FEEDMO
Cc1cc(S(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)ccc1C#N	ZINC000277819321	550717732	/nfs/dbraw/zinc/71/77/32/550717732.db2.gz	IRWJWVAZULOJIH-UHFFFAOYSA-N	1	1	370.478	2.205	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2CCC(Oc3cc[nH+]cc3C)CC2)nc1	ZINC000278446495	550787059	/nfs/dbraw/zinc/78/70/59/550787059.db2.gz	LBDNKANLEWNNCL-UHFFFAOYSA-N	1	1	350.422	2.196	20	30		FEEDMO
CCC[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@H+]1CCOC	ZINC000495131562	561482882	/nfs/dbraw/zinc/48/28/82/561482882.db2.gz	ONIRFKJESDSXRF-SFHVURJKSA-N	1	1	358.486	2.197	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000278658746	550808923	/nfs/dbraw/zinc/80/89/23/550808923.db2.gz	NAOGVPADJMANMG-HZPDHXFCSA-N	1	1	356.470	2.070	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)ccc1Cl	ZINC000278890142	550833146	/nfs/dbraw/zinc/83/31/46/550833146.db2.gz	ODSHDISYANEPGL-IBGZPJMESA-N	1	1	374.872	2.107	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)ccc1Cl	ZINC000278890142	550833147	/nfs/dbraw/zinc/83/31/47/550833147.db2.gz	ODSHDISYANEPGL-IBGZPJMESA-N	1	1	374.872	2.107	20	30		FEEDMO
CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1	ZINC000278939473	550838210	/nfs/dbraw/zinc/83/82/10/550838210.db2.gz	UGSDXJNHAHCVFJ-QGZVFWFLSA-N	1	1	361.511	2.488	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)NCC[N@@H+](C)Cc2ccccc2)n1	ZINC000279401304	550886106	/nfs/dbraw/zinc/88/61/06/550886106.db2.gz	HCMLUWZKTFNAHJ-UHFFFAOYSA-N	1	1	353.470	2.180	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F)C1CC1	ZINC000280494427	551000003	/nfs/dbraw/zinc/00/00/03/551000003.db2.gz	MMYRKNFUOUKOSN-CZUORRHYSA-N	1	1	371.359	2.017	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	ZINC000280661140	551018772	/nfs/dbraw/zinc/01/87/72/551018772.db2.gz	DUZAHJMCUHMCLY-IFXJQAMLSA-N	1	1	374.510	2.477	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	ZINC000280661140	551018774	/nfs/dbraw/zinc/01/87/74/551018774.db2.gz	DUZAHJMCUHMCLY-IFXJQAMLSA-N	1	1	374.510	2.477	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000281162851	551069721	/nfs/dbraw/zinc/06/97/21/551069721.db2.gz	ZVFNKKJGEJZBOC-SXLOBPIMSA-N	1	1	373.497	2.034	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000281644682	551124861	/nfs/dbraw/zinc/12/48/61/551124861.db2.gz	RIGAZHUZNKDLMC-VQTJNVASSA-N	1	1	368.481	2.200	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)C1=O	ZINC000281869032	551150984	/nfs/dbraw/zinc/15/09/84/551150984.db2.gz	BZQLRAYHGIMDBB-ZFWWWQNUSA-N	1	1	372.387	2.164	20	30		FEEDMO
C#CCOc1ccccc1C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1	ZINC000282786809	551270372	/nfs/dbraw/zinc/27/03/72/551270372.db2.gz	QSOSOOGUBPGKBG-UHFFFAOYSA-N	1	1	362.495	2.089	20	30		FEEDMO
CN1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[C@H]1C#N	ZINC000282895315	551282691	/nfs/dbraw/zinc/28/26/91/551282691.db2.gz	XOXNMTOBTNPTPD-RTBURBONSA-N	1	1	369.513	2.136	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CCC)C2)c(F)c1	ZINC000283319102	551347129	/nfs/dbraw/zinc/34/71/29/551347129.db2.gz	QEABAVOHFFBDDM-CQSZACIVSA-N	1	1	363.408	2.075	20	30		FEEDMO
CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1	ZINC000283641949	551401755	/nfs/dbraw/zinc/40/17/55/551401755.db2.gz	ARMQANYJLVIHED-UHFFFAOYSA-N	1	1	370.497	2.287	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)C(C)(C)S(=O)(=O)C1CC1)C(C)C	ZINC000284450652	551551822	/nfs/dbraw/zinc/55/18/22/551551822.db2.gz	VPYNUTWKOYCCEX-MRXNPFEDSA-N	1	1	356.532	2.157	20	30		FEEDMO
C[N@H+]1CC[C@H]2OCCN(Cc3cn(CCC#N)nc3-c3ccccc3)[C@H]2C1	ZINC000284459111	551553435	/nfs/dbraw/zinc/55/34/35/551553435.db2.gz	AHKHPRQSWIXUIP-VQTJNVASSA-N	1	1	365.481	2.369	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C[C@@H]1C	ZINC000498572149	561528979	/nfs/dbraw/zinc/52/89/79/561528979.db2.gz	OAAUIXURUMVZAU-JENIJYKNSA-N	1	1	369.513	2.419	20	30		FEEDMO
C[C@@H](CCN1CCN(C)CC1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000286026286	551840069	/nfs/dbraw/zinc/84/00/69/551840069.db2.gz	IXWVUFBPWKHTNR-SFHVURJKSA-N	1	1	355.530	2.143	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000286387835	551881846	/nfs/dbraw/zinc/88/18/46/551881846.db2.gz	YQPHCQGUAXUVMY-XYPWUTKMSA-N	1	1	356.470	2.292	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1	ZINC000287375095	551995923	/nfs/dbraw/zinc/99/59/23/551995923.db2.gz	NDLHLUMGJJGPAY-CQSZACIVSA-N	1	1	353.831	2.386	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1	ZINC000499497358	561552361	/nfs/dbraw/zinc/55/23/61/561552361.db2.gz	YCFJAPYKSJSZNX-SFHVURJKSA-N	1	1	364.515	2.111	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000288394140	552146057	/nfs/dbraw/zinc/14/60/57/552146057.db2.gz	KPIRRHIJDYWEDM-UHFFFAOYSA-N	1	1	372.400	2.209	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000288476223	552159792	/nfs/dbraw/zinc/15/97/92/552159792.db2.gz	PAVWNNCTXUAVMP-PVAVHDDUSA-N	1	1	356.445	2.219	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](CO)c2cccc(Cl)c2F)cc1	ZINC000499935952	561562235	/nfs/dbraw/zinc/56/22/35/561562235.db2.gz	CEMUNBTVUQGCFT-CXAGYDPISA-N	1	1	364.804	2.414	20	30		FEEDMO
C[N@H+](CCn1cc(Br)cn1)CC(=O)Nc1cccc(C#N)c1	ZINC000288991098	552248790	/nfs/dbraw/zinc/24/87/90/552248790.db2.gz	ZYRFBBZMCRRJRQ-UHFFFAOYSA-N	1	1	362.231	2.088	20	30		FEEDMO
C[N@@H+](CCn1cc(Br)cn1)CC(=O)Nc1cccc(C#N)c1	ZINC000288991098	552248792	/nfs/dbraw/zinc/24/87/92/552248792.db2.gz	ZYRFBBZMCRRJRQ-UHFFFAOYSA-N	1	1	362.231	2.088	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1	ZINC000289000557	552250532	/nfs/dbraw/zinc/25/05/32/552250532.db2.gz	MJBDFPOWJLKAMV-INIZCTEOSA-N	1	1	352.390	2.171	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1	ZINC000289000557	552250534	/nfs/dbraw/zinc/25/05/34/552250534.db2.gz	MJBDFPOWJLKAMV-INIZCTEOSA-N	1	1	352.390	2.171	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2	ZINC000289230360	552286223	/nfs/dbraw/zinc/28/62/23/552286223.db2.gz	WIJWCEWTXKBDGH-LJQANCHMSA-N	1	1	361.445	2.321	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2	ZINC000289230360	552286224	/nfs/dbraw/zinc/28/62/24/552286224.db2.gz	WIJWCEWTXKBDGH-LJQANCHMSA-N	1	1	361.445	2.321	20	30		FEEDMO
Cc1nsc(N2CC[NH+](CCC(=O)Nc3ccccc3)CC2)c1C#N	ZINC000289458387	552324906	/nfs/dbraw/zinc/32/49/06/552324906.db2.gz	LUWVSKWFRQLDRG-UHFFFAOYSA-N	1	1	355.467	2.474	20	30		FEEDMO
N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000289472478	552327111	/nfs/dbraw/zinc/32/71/11/552327111.db2.gz	NGVUYQJKDKUJSO-AWEZNQCLSA-N	1	1	355.360	2.328	20	30		FEEDMO
C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(F)cc1F	ZINC000289778972	552376777	/nfs/dbraw/zinc/37/67/77/552376777.db2.gz	IYUXDHXRSLWRGO-LLVKDONJSA-N	1	1	351.378	2.356	20	30		FEEDMO
C=CCn1c([C@@H](C)CC)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1	ZINC000289830673	552385210	/nfs/dbraw/zinc/38/52/10/552385210.db2.gz	WUWQETDWMBVNOO-KRWDZBQOSA-N	1	1	374.533	2.112	20	30		FEEDMO
C=CCn1c([C@@H](C)CC)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1	ZINC000289830673	552385211	/nfs/dbraw/zinc/38/52/11/552385211.db2.gz	WUWQETDWMBVNOO-KRWDZBQOSA-N	1	1	374.533	2.112	20	30		FEEDMO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](C2CCCC2)CC1	ZINC000289844451	552388018	/nfs/dbraw/zinc/38/80/18/552388018.db2.gz	XNMBGCRTWGINHE-UHFFFAOYSA-N	1	1	372.517	2.155	20	30		FEEDMO
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000290099605	552427205	/nfs/dbraw/zinc/42/72/05/552427205.db2.gz	QHBLISDHOJDMJX-HUUCEWRRSA-N	1	1	360.458	2.153	20	30		FEEDMO
C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000290288102	552454801	/nfs/dbraw/zinc/45/48/01/552454801.db2.gz	ASIZVHQHBSUVLA-FCHUYYIVSA-N	1	1	362.473	2.210	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000500824974	561583508	/nfs/dbraw/zinc/58/35/08/561583508.db2.gz	DSRSQWPYMIJRLL-SFHVURJKSA-N	1	1	370.501	2.049	20	30		FEEDMO
C#CCC(CC#C)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000290604556	552505694	/nfs/dbraw/zinc/50/56/94/552505694.db2.gz	RLAOJOLNDBXVGE-JOCHJYFZSA-N	1	1	363.505	2.068	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)c(OC)c1	ZINC000291777280	552660808	/nfs/dbraw/zinc/66/08/08/552660808.db2.gz	MADLDYICQQIURR-HOTGVXAUSA-N	1	1	371.424	2.113	20	30		FEEDMO
C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292047944	552688105	/nfs/dbraw/zinc/68/81/05/552688105.db2.gz	BBAANBFNGPZCHW-RDTXWAMCSA-N	1	1	368.412	2.250	20	30		FEEDMO
C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292047944	552688106	/nfs/dbraw/zinc/68/81/06/552688106.db2.gz	BBAANBFNGPZCHW-RDTXWAMCSA-N	1	1	368.412	2.250	20	30		FEEDMO
Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292210646	552704971	/nfs/dbraw/zinc/70/49/71/552704971.db2.gz	OKKCHKSIHJWZGX-SFHVURJKSA-N	1	1	350.422	2.031	20	30		FEEDMO
Cc1ccccc1CNC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292210646	552704972	/nfs/dbraw/zinc/70/49/72/552704972.db2.gz	OKKCHKSIHJWZGX-SFHVURJKSA-N	1	1	350.422	2.031	20	30		FEEDMO
C=CCNC(=O)c1ccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)nc1	ZINC000292821504	552761528	/nfs/dbraw/zinc/76/15/28/552761528.db2.gz	OYQPWPNRGCCUGX-JWTNVVGKSA-N	1	1	358.486	2.075	20	30		FEEDMO
CCOc1ccc(NC(=O)CN2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)cc1	ZINC000292833408	552763207	/nfs/dbraw/zinc/76/32/07/552763207.db2.gz	PABFXOAMINRBJO-WMZOPIPTSA-N	1	1	356.470	2.334	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1C	ZINC000293284652	552807040	/nfs/dbraw/zinc/80/70/40/552807040.db2.gz	GHXWNWUFOKJEKN-UHFFFAOYSA-N	1	1	355.360	2.024	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2csc(C)n2)cc1	ZINC000293518727	552831928	/nfs/dbraw/zinc/83/19/28/552831928.db2.gz	YRTVVGKIQQQQLB-UHFFFAOYSA-N	1	1	370.478	2.128	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C	ZINC000294042432	552877438	/nfs/dbraw/zinc/87/74/38/552877438.db2.gz	SRWHFFDZEIRQAN-QGZVFWFLSA-N	1	1	363.889	2.166	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)N(CCC#N)CCC#N	ZINC000501788086	561605585	/nfs/dbraw/zinc/60/55/85/561605585.db2.gz	DAMIXEACIZKZGU-RBUKOAKNSA-N	1	1	367.497	2.237	20	30		FEEDMO
C#CCCOc1ccc(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)cc1	ZINC000295009285	552950943	/nfs/dbraw/zinc/95/09/43/552950943.db2.gz	XHIGPRLJLQCVFS-GOSISDBHSA-N	1	1	357.498	2.092	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1	ZINC000296420903	553156915	/nfs/dbraw/zinc/15/69/15/553156915.db2.gz	RYOVKJKMCWYUME-MRXNPFEDSA-N	1	1	356.470	2.129	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1OC	ZINC000296499435	553170446	/nfs/dbraw/zinc/17/04/46/553170446.db2.gz	SWFYNLSQYIAQSU-XSFOEPMVSA-N	1	1	374.481	2.236	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC(O)(Cc2cccc(C)c2)CC1	ZINC000297291590	553274374	/nfs/dbraw/zinc/27/43/74/553274374.db2.gz	HCDAYOAWSKIVEA-UHFFFAOYSA-N	1	1	357.498	2.029	20	30		FEEDMO
COC(=O)[C@]1(C)C[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1C	ZINC000503241541	561637837	/nfs/dbraw/zinc/63/78/37/561637837.db2.gz	MMTTZPQRPZLJSR-WEMLCZSRSA-N	1	1	363.502	2.437	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)CC(C)(C)C#N)CC2)C[C@H](C)O1	ZINC000503300875	561639040	/nfs/dbraw/zinc/63/90/40/561639040.db2.gz	GOWGIRJIEUASRR-IYBDPMFKSA-N	1	1	351.491	2.043	20	30		FEEDMO
C[C@@H]1C[N@H+](CCOC2CCN(C(=O)CC(C)(C)C#N)CC2)C[C@H](C)O1	ZINC000503300875	561639041	/nfs/dbraw/zinc/63/90/41/561639041.db2.gz	GOWGIRJIEUASRR-IYBDPMFKSA-N	1	1	351.491	2.043	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1	ZINC000298590380	553445643	/nfs/dbraw/zinc/44/56/43/553445643.db2.gz	IHNIVTKBUVGBLZ-DLBZAZTESA-N	1	1	354.454	2.169	20	30		FEEDMO
CCc1cc(OC)ccc1C[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000503566265	561644494	/nfs/dbraw/zinc/64/44/94/561644494.db2.gz	WPQXXARCCGPUHI-UHFFFAOYSA-N	1	1	353.470	2.493	20	30		FEEDMO
N#Cc1ccc(CN2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cc1	ZINC000298811963	553476044	/nfs/dbraw/zinc/47/60/44/553476044.db2.gz	OYRWZXRCMNDMCZ-UHFFFAOYSA-N	1	1	351.406	2.310	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1	ZINC000299298229	553544356	/nfs/dbraw/zinc/54/43/56/553544356.db2.gz	ACQWAOMZEQACCT-DNVCBOLYSA-N	1	1	354.458	2.315	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1Cl	ZINC000299525072	553575721	/nfs/dbraw/zinc/57/57/21/553575721.db2.gz	DDUWRJSNGYTHDG-HNNXBMFYSA-N	1	1	360.845	2.237	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000301306591	553640547	/nfs/dbraw/zinc/64/05/47/553640547.db2.gz	YYRKAFUCDYXXKZ-HNNXBMFYSA-N	1	1	366.425	2.484	20	30		FEEDMO
Cc1cc(F)cc2c1ncc(C#N)c2NC[C@](C)(O)C[NH+]1CCOCC1	ZINC000301756164	553676887	/nfs/dbraw/zinc/67/68/87/553676887.db2.gz	KUCFHEVWTZGPBG-IBGZPJMESA-N	1	1	358.417	2.049	20	30		FEEDMO
Cc1cc(C)c2ncc(C#N)c(NC[C@@](C)(O)C[NH+]3CCOCC3)c2c1	ZINC000301796905	553680145	/nfs/dbraw/zinc/68/01/45/553680145.db2.gz	ZAMPSBKJACAVBL-HXUWFJFHSA-N	1	1	354.454	2.218	20	30		FEEDMO
C[N@@H+](CCN1CCN(c2nc3ccccn3c2C#N)CC1)Cc1ccccc1	ZINC000302096903	553704097	/nfs/dbraw/zinc/70/40/97/553704097.db2.gz	OKGDJUKOKGMTCZ-UHFFFAOYSA-N	1	1	374.492	2.460	20	30		FEEDMO
C=C(C)Cn1c(SCC(=O)NCC[NH+]2CCC2)nnc1-c1ccco1	ZINC000505409176	561670568	/nfs/dbraw/zinc/67/05/68/561670568.db2.gz	DQBSTULHLXKLTK-UHFFFAOYSA-N	1	1	361.471	2.028	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)c2csc([C@@H]3CCCO3)n2)CC1(C)C	ZINC000328718273	553811807	/nfs/dbraw/zinc/81/18/07/553811807.db2.gz	PSUSCCJZXAXAAQ-AWEZNQCLSA-N	1	1	352.504	2.325	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N[C@@H]1CCCC12CCOCC2)[NH+]1CCOCC1	ZINC000328764423	553818604	/nfs/dbraw/zinc/81/86/04/553818604.db2.gz	DSLOKPFUOMLIRD-DLBZAZTESA-N	1	1	353.507	2.196	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)C1=O	ZINC000328779013	553821176	/nfs/dbraw/zinc/82/11/76/553821176.db2.gz	IUIMAVHPHBNTBQ-GQIGUUNPSA-N	1	1	356.470	2.163	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000328829175	553828909	/nfs/dbraw/zinc/82/89/09/553828909.db2.gz	JEBDGHWUQCKSTD-ILXRZTDVSA-N	1	1	350.463	2.132	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000328829175	553828911	/nfs/dbraw/zinc/82/89/11/553828911.db2.gz	JEBDGHWUQCKSTD-ILXRZTDVSA-N	1	1	350.463	2.132	20	30		FEEDMO
O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)Nc1ccc2c(c1)OCO2	ZINC000328934394	553848490	/nfs/dbraw/zinc/84/84/90/553848490.db2.gz	FENPQCZSMCBKDR-XJKSGUPXSA-N	1	1	371.437	2.479	20	30		FEEDMO
O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)Nc1ccc2c(c1)OCO2	ZINC000328934394	553848492	/nfs/dbraw/zinc/84/84/92/553848492.db2.gz	FENPQCZSMCBKDR-XJKSGUPXSA-N	1	1	371.437	2.479	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O	ZINC000328935245	553848523	/nfs/dbraw/zinc/84/85/23/553848523.db2.gz	AHEXUIMHTLVRGG-SFNKJDCFSA-N	1	1	353.507	2.027	20	30		FEEDMO
Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H](C#N)c2ccccc2F)CC1	ZINC000505916380	561685118	/nfs/dbraw/zinc/68/51/18/561685118.db2.gz	BKRVQZWSKGVQHZ-QGZVFWFLSA-N	1	1	355.417	2.152	20	30		FEEDMO
C[C@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000328946281	553851028	/nfs/dbraw/zinc/85/10/28/553851028.db2.gz	GNAGONPWUQLLSJ-GJZGRUSLSA-N	1	1	372.531	2.190	20	30		FEEDMO
C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O)C[NH+]1CCOCC1	ZINC000328977992	553857120	/nfs/dbraw/zinc/85/71/20/553857120.db2.gz	DNAHSGYVAZIZTN-AJYBTWMASA-N	1	1	367.534	2.274	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1	ZINC000328997167	553861609	/nfs/dbraw/zinc/86/16/09/553861609.db2.gz	KBXBCXPKMLLMTJ-SJLPKXTDSA-N	1	1	364.534	2.293	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NCC[N@H+]1CCC[C@H](C)C1	ZINC000329023885	553866333	/nfs/dbraw/zinc/86/63/33/553866333.db2.gz	IWZXNKJRJVNHHP-XWTMOSNGSA-N	1	1	353.507	2.148	20	30		FEEDMO
C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCOCC1	ZINC000329111325	553882022	/nfs/dbraw/zinc/88/20/22/553882022.db2.gz	KABNIYZSGZPZDB-HZTRTUMWSA-N	1	1	351.491	2.089	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)[C@@H](C)C1	ZINC000329131492	553885659	/nfs/dbraw/zinc/88/56/59/553885659.db2.gz	AFVFRGRRBTXIPQ-JZXOWHBKSA-N	1	1	364.534	2.496	20	30		FEEDMO
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000329166201	553893636	/nfs/dbraw/zinc/89/36/36/553893636.db2.gz	HTMKGRIFMZYZND-XKQJLSEDSA-N	1	1	363.506	2.053	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C	ZINC000329219168	553904848	/nfs/dbraw/zinc/90/48/48/553904848.db2.gz	SHCQFLFVRGGMSW-HDMKZQKVSA-N	1	1	361.490	2.079	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](C(=O)N2CCCC2)C1	ZINC000329230593	553907028	/nfs/dbraw/zinc/90/70/28/553907028.db2.gz	KDEYARHTRYZXSP-MHORFTMASA-N	1	1	364.534	2.211	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H](NC(=O)N1CC[C@H]([NH+]3CCCC3)[C@@H]1C)CC2	ZINC000329322880	553925189	/nfs/dbraw/zinc/92/51/89/553925189.db2.gz	FOMMPSDPMXDJNE-XHSDSOJGSA-N	1	1	360.506	2.189	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1CC[C@H](C3CC[NH+](C)CC3)C1)CC2	ZINC000329334283	553926882	/nfs/dbraw/zinc/92/68/82/553926882.db2.gz	KRRZIKLCMAGBAE-DLBZAZTESA-N	1	1	374.533	2.294	20	30		FEEDMO
Cc1n[nH]c([C@H]2CCCN(CC(=O)Nc3ccc4c(c3)OCCO4)C2)n1	ZINC000329411115	553941242	/nfs/dbraw/zinc/94/12/42/553941242.db2.gz	BRHPROPZKAYZEJ-ZDUSSCGKSA-N	1	1	357.414	2.352	20	30		FEEDMO
Cc1nnc([C@H]2CCCN(CC(=O)Nc3ccc4c(c3)OCCO4)C2)[nH]1	ZINC000329411115	553941245	/nfs/dbraw/zinc/94/12/45/553941245.db2.gz	BRHPROPZKAYZEJ-ZDUSSCGKSA-N	1	1	357.414	2.352	20	30		FEEDMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)NCC2(C)CCCCCC2)CC1	ZINC000329420072	553943261	/nfs/dbraw/zinc/94/32/61/553943261.db2.gz	FCDCQRUKWXBIKB-UHFFFAOYSA-N	1	1	352.523	2.357	20	30		FEEDMO
O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)N1CCC(c2cnc[nH]2)CC1	ZINC000329480660	553954566	/nfs/dbraw/zinc/95/45/66/553954566.db2.gz	DBBHVLDQHPKWJW-MRXNPFEDSA-N	1	1	374.489	2.183	20	30		FEEDMO
CC1(C)CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@H]1O	ZINC000329483451	553954940	/nfs/dbraw/zinc/95/49/40/553954940.db2.gz	RWUCKHZDPZJKAN-MRXNPFEDSA-N	1	1	353.507	2.028	20	30		FEEDMO
C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCCO[C@H]1CCCC[C@H]1C	ZINC000329545022	553964894	/nfs/dbraw/zinc/96/48/94/553964894.db2.gz	GJKSUOJSKMYXCF-TVFCKZIOSA-N	1	1	353.507	2.291	20	30		FEEDMO
C[C@]1(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCO[C@H]1C1CC1	ZINC000329571578	553969624	/nfs/dbraw/zinc/96/96/24/553969624.db2.gz	QSIFDGFGNUNHJB-FPOVZHCZSA-N	1	1	373.497	2.480	20	30		FEEDMO
COCCn1cc2c(n1)[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)CCC2	ZINC000329582626	553972065	/nfs/dbraw/zinc/97/20/65/553972065.db2.gz	QILXMJWILSJRPM-USXIJHARSA-N	1	1	363.506	2.093	20	30		FEEDMO
CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C	ZINC000329608084	553975907	/nfs/dbraw/zinc/97/59/07/553975907.db2.gz	MZTSTRJDSSGGGN-TVFCKZIOSA-N	1	1	353.507	2.289	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@H](C2CCCCC2)C1	ZINC000329614567	553976986	/nfs/dbraw/zinc/97/69/86/553976986.db2.gz	SBNKURQCUZIRGC-MSOLQXFVSA-N	1	1	353.507	2.292	20	30		FEEDMO
C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C[C@@H](C)S1(=O)=O	ZINC000329625531	553978802	/nfs/dbraw/zinc/97/88/02/553978802.db2.gz	SUWZGTWWXMAWJR-INMHGKMJSA-N	1	1	371.547	2.205	20	30		FEEDMO
C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2C[C@@]23CCOC3)CC1	ZINC000329684687	553987868	/nfs/dbraw/zinc/98/78/68/553987868.db2.gz	YFIMAFMFSCETQR-OXQOHEQNSA-N	1	1	357.454	2.479	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC[N@H+]1C	ZINC000329706280	553992685	/nfs/dbraw/zinc/99/26/85/553992685.db2.gz	JWIWLRCHEJANSB-CZUORRHYSA-N	1	1	365.499	2.162	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C[C@H](C)NC(=O)c2ccccc2)C[C@@H]1[NH+]1CCOCC1	ZINC000329755987	554000860	/nfs/dbraw/zinc/00/08/60/554000860.db2.gz	YKPBVOJMENGTJY-SCTDSRPQSA-N	1	1	373.497	2.339	20	30		FEEDMO
C[C@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000329778967	554003964	/nfs/dbraw/zinc/00/39/64/554003964.db2.gz	QPSJBFZMEIUJKI-LSDHHAIUSA-N	1	1	371.547	2.062	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCOC2(CCCCC2)C1	ZINC000329959687	554039004	/nfs/dbraw/zinc/03/90/04/554039004.db2.gz	NKFQIACYUROMEP-QZTJIDSGSA-N	1	1	366.550	2.398	20	30		FEEDMO
CN(Cc1ccccc1NC(=O)[C@@H]1CCCN1C)C(=O)[C@H]1CCC[N@H+]1C	ZINC000329959222	554039175	/nfs/dbraw/zinc/03/91/75/554039175.db2.gz	QMKDHWJGLHBBRT-ZWKOTPCHSA-N	1	1	358.486	2.421	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@](C)(c3cnn(C)c3)C2)C1	ZINC000329970248	554041449	/nfs/dbraw/zinc/04/14/49/554041449.db2.gz	UXGMGIWKWIXTCR-APWZRJJASA-N	1	1	363.506	2.002	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1	ZINC000329985921	554044477	/nfs/dbraw/zinc/04/44/77/554044477.db2.gz	RKQYHBCCAHEMHL-IBGZPJMESA-N	1	1	372.513	2.466	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C1	ZINC000329986410	554044739	/nfs/dbraw/zinc/04/47/39/554044739.db2.gz	FFZCGEKOHIFNST-APWZRJJASA-N	1	1	353.507	2.291	20	30		FEEDMO
C[NH+]1CCN(CCC(C)(C)NC(=O)CN2c3ccccc3CCC2=O)CC1	ZINC000330002120	554047572	/nfs/dbraw/zinc/04/75/72/554047572.db2.gz	YOZPAJHOXSIWPZ-UHFFFAOYSA-N	1	1	372.513	2.338	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C[N@H+]1Cc1ccccc1	ZINC000330041730	554053567	/nfs/dbraw/zinc/05/35/67/554053567.db2.gz	DFZGNYHVQFWMMF-HYVNUMGLSA-N	1	1	355.442	2.207	20	30		FEEDMO
C[C@H]1CN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC[N@H+]1CC(C)(C)O	ZINC000330095638	554063436	/nfs/dbraw/zinc/06/34/36/554063436.db2.gz	VVUURDOYEJSNFN-OOHWJJMZSA-N	1	1	365.518	2.215	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C1CCC(NC(=O)C2CC2)CC1	ZINC000330096811	554063742	/nfs/dbraw/zinc/06/37/42/554063742.db2.gz	YBFFWXMVENHMJY-ODIFPOPNSA-N	1	1	365.518	2.215	20	30		FEEDMO
CC(=O)N1CC[C@H](NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1	ZINC000330111321	554066720	/nfs/dbraw/zinc/06/67/20/554066720.db2.gz	RDCZLCIKKOJZJF-LPHOPBHVSA-N	1	1	364.534	2.498	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCC3=O)C2)C1	ZINC000330111143	554066894	/nfs/dbraw/zinc/06/68/94/554066894.db2.gz	QZOGGQCDKBCPAZ-IXDOHACOSA-N	1	1	364.534	2.354	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CC[S@](=O)C2)CC1	ZINC000330115753	554067182	/nfs/dbraw/zinc/06/71/82/554067182.db2.gz	UIDRIKZIZLEHQS-NZEOALSQSA-N	1	1	355.548	2.398	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C[C@@H]1C	ZINC000330133100	554070815	/nfs/dbraw/zinc/07/08/15/554070815.db2.gz	QWVINORXZLQDCB-KSZLIROESA-N	1	1	374.533	2.472	20	30		FEEDMO
CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000330206345	554085102	/nfs/dbraw/zinc/08/51/02/554085102.db2.gz	DEMNUKRZTGSRBK-RYRKJORJSA-N	1	1	353.507	2.147	20	30		FEEDMO
CO[C@]1(C)C[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1(C)C	ZINC000330205591	554085161	/nfs/dbraw/zinc/08/51/61/554085161.db2.gz	CPBNUDCTXQAOOE-IDHHARJASA-N	1	1	353.507	2.289	20	30		FEEDMO
Cc1noc(C)c1[C@@H](C)CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000330254072	554093295	/nfs/dbraw/zinc/09/32/95/554093295.db2.gz	JHAFHYLTWIQENV-UONOGXRCSA-N	1	1	364.490	2.494	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCc1ccncc1	ZINC000330282160	554098959	/nfs/dbraw/zinc/09/89/59/554098959.db2.gz	AKMYLTYWPQOBDX-FUHWJXTLSA-N	1	1	356.474	2.244	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000330355713	554110472	/nfs/dbraw/zinc/11/04/72/554110472.db2.gz	QVIKRNABZUHVGR-GPMSIDNRSA-N	1	1	373.501	2.303	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000330368855	554111980	/nfs/dbraw/zinc/11/19/80/554111980.db2.gz	AQHHRGAXJARNEA-JFIYKMOQSA-N	1	1	364.515	2.138	20	30		FEEDMO
COC(=O)[C@]1(C)CN(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C	ZINC000330399181	554116248	/nfs/dbraw/zinc/11/62/48/554116248.db2.gz	CSZBOJIHDHSAEP-JTDSTZFVSA-N	1	1	353.507	2.399	20	30		FEEDMO
CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000330558956	554137838	/nfs/dbraw/zinc/13/78/38/554137838.db2.gz	HBPQGCAEEAZUES-MRXNPFEDSA-N	1	1	353.463	2.333	20	30		FEEDMO
COc1cc(SC)ccc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C	ZINC000330569555	554139734	/nfs/dbraw/zinc/13/97/34/554139734.db2.gz	NZHMRGOBJHETSI-OLZOCXBDSA-N	1	1	353.488	2.350	20	30		FEEDMO
COc1cc(SC)ccc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C	ZINC000330569557	554139810	/nfs/dbraw/zinc/13/98/10/554139810.db2.gz	NZHMRGOBJHETSI-STQMWFEESA-N	1	1	353.488	2.350	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cc(OC)ccc2OC)CC[N@H+]1C[C@@H](C)O	ZINC000330652934	554150829	/nfs/dbraw/zinc/15/08/29/554150829.db2.gz	NPOWOXCKLDOJSO-ZIAGYGMSSA-N	1	1	351.447	2.026	20	30		FEEDMO
Cc1cc(CCNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc(C)c1O	ZINC000330949163	554192961	/nfs/dbraw/zinc/19/29/61/554192961.db2.gz	IWMFKONKHYSPBF-INIZCTEOSA-N	1	1	363.502	2.243	20	30		FEEDMO
CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1	ZINC000330959975	554194682	/nfs/dbraw/zinc/19/46/82/554194682.db2.gz	XOUHILIJWURXOX-YWPYICTPSA-N	1	1	352.866	2.113	20	30		FEEDMO
CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1	ZINC000330959975	554194683	/nfs/dbraw/zinc/19/46/83/554194683.db2.gz	XOUHILIJWURXOX-YWPYICTPSA-N	1	1	352.866	2.113	20	30		FEEDMO
COc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ccc1OC(C)C	ZINC000330975581	554196323	/nfs/dbraw/zinc/19/63/23/554196323.db2.gz	HGWOVTXBWRHFII-CABCVRRESA-N	1	1	365.474	2.415	20	30		FEEDMO
C=CCn1c(CCc2ccco2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1	ZINC000508475327	561763122	/nfs/dbraw/zinc/76/31/22/561763122.db2.gz	YPIBAQGWKQKTMP-UHFFFAOYSA-N	1	1	373.501	2.389	20	30		FEEDMO
C=CCn1c(CCc2ccco2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1	ZINC000508475327	561763124	/nfs/dbraw/zinc/76/31/24/561763124.db2.gz	YPIBAQGWKQKTMP-UHFFFAOYSA-N	1	1	373.501	2.389	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1	ZINC000331173193	554225425	/nfs/dbraw/zinc/22/54/25/554225425.db2.gz	WIXYXWPFBGDSOV-ILXRZTDVSA-N	1	1	367.490	2.259	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1	ZINC000331173193	554225428	/nfs/dbraw/zinc/22/54/28/554225428.db2.gz	WIXYXWPFBGDSOV-ILXRZTDVSA-N	1	1	367.490	2.259	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)cc1Br	ZINC000331180393	554227169	/nfs/dbraw/zinc/22/71/69/554227169.db2.gz	HAYJIGWUWPPNAR-UHFFFAOYSA-N	1	1	372.288	2.085	20	30		FEEDMO
CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000331195134	554229067	/nfs/dbraw/zinc/22/90/67/554229067.db2.gz	NECQPZSUQQIKMP-GFCCVEGCSA-N	1	1	372.288	2.083	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000331195134	554229068	/nfs/dbraw/zinc/22/90/68/554229068.db2.gz	NECQPZSUQQIKMP-GFCCVEGCSA-N	1	1	372.288	2.083	20	30		FEEDMO
CC[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1c(C)nn(C)c1C	ZINC000331213701	554232153	/nfs/dbraw/zinc/23/21/53/554232153.db2.gz	AMORNPJDHDBBAL-BBRMVZONSA-N	1	1	365.522	2.179	20	30		FEEDMO
C=CCn1c(CCc2ccco2)nnc1N1CC[NH+](CCOCC)CC1	ZINC000509009784	561781066	/nfs/dbraw/zinc/78/10/66/561781066.db2.gz	FKCILWVOXSRMQZ-UHFFFAOYSA-N	1	1	359.474	2.001	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2S(C)(=O)=O)C[C@H]1C	ZINC000331274625	554240129	/nfs/dbraw/zinc/24/01/29/554240129.db2.gz	HXJJUJXNLPWFJP-ZIAGYGMSSA-N	1	1	353.488	2.440	20	30		FEEDMO
C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1	ZINC000508859339	561775697	/nfs/dbraw/zinc/77/56/97/561775697.db2.gz	VKAUBAGBUARSQD-MRXNPFEDSA-N	1	1	359.861	2.305	20	30		FEEDMO
C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1	ZINC000508859339	561775698	/nfs/dbraw/zinc/77/56/98/561775698.db2.gz	VKAUBAGBUARSQD-MRXNPFEDSA-N	1	1	359.861	2.305	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3C[C@@H](F)C[C@H]3CO)sc2C1	ZINC000331443731	554265711	/nfs/dbraw/zinc/26/57/11/554265711.db2.gz	IFFIVLSXUOXWIR-AGIUHOORSA-N	1	1	365.474	2.478	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@@H](F)C[C@H]3CO)sc2C1	ZINC000331443731	554265712	/nfs/dbraw/zinc/26/57/12/554265712.db2.gz	IFFIVLSXUOXWIR-AGIUHOORSA-N	1	1	365.474	2.478	20	30		FEEDMO
CC(C)C1CCC([NH+]2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)CC1	ZINC000509166804	561787835	/nfs/dbraw/zinc/78/78/35/561787835.db2.gz	XHFVHZDIYLFSST-AOCRQIFASA-N	1	1	370.563	2.298	20	30		FEEDMO
C[C@@H]([NH2+][C@@H]1CCCN(c2nccn(C)c2=O)C1)c1ccc(C#N)cc1F	ZINC000331942139	554349646	/nfs/dbraw/zinc/34/96/46/554349646.db2.gz	XSDODNVXFASTFB-UKRRQHHQSA-N	1	1	355.417	2.111	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1	ZINC000332273456	554414990	/nfs/dbraw/zinc/41/49/90/554414990.db2.gz	CMGRVIQZMIRDMS-CJNGLKHVSA-N	1	1	361.408	2.497	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1	ZINC000332273456	554414991	/nfs/dbraw/zinc/41/49/91/554414991.db2.gz	CMGRVIQZMIRDMS-CJNGLKHVSA-N	1	1	361.408	2.497	20	30		FEEDMO
Cc1c[nH+]cn1C1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1	ZINC000332423806	554444064	/nfs/dbraw/zinc/44/40/64/554444064.db2.gz	XNUWKZMARYASSD-UHFFFAOYSA-N	1	1	362.430	2.369	20	30		FEEDMO
CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N=c1[nH]n(C)cc1C#N	ZINC000610565346	554530687	/nfs/dbraw/zinc/53/06/87/554530687.db2.gz	SHFYACDKOWUVIN-INIZCTEOSA-N	1	1	352.442	2.278	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N=c1[nH]n(C)cc1C#N	ZINC000610565346	554530690	/nfs/dbraw/zinc/53/06/90/554530690.db2.gz	SHFYACDKOWUVIN-INIZCTEOSA-N	1	1	352.442	2.278	20	30		FEEDMO
C=CCNC(=O)Cc1noc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1	ZINC000350727131	554810183	/nfs/dbraw/zinc/81/01/83/554810183.db2.gz	SESFMBSAYCVAOD-OAHLLOKOSA-N	1	1	358.417	2.433	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1c1nc(-c2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)no1	ZINC000351125614	554838522	/nfs/dbraw/zinc/83/85/22/554838522.db2.gz	XVDKVZZUSDHPJL-ZACQAIPSSA-N	1	1	368.437	2.245	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1c1nc(-c2ccccc2C[N@@H+]2CCC[C@@H]2C(N)=O)no1	ZINC000351125614	554838526	/nfs/dbraw/zinc/83/85/26/554838526.db2.gz	XVDKVZZUSDHPJL-ZACQAIPSSA-N	1	1	368.437	2.245	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNc3ncc([N+](=O)[O-])cc3C#N)CC2)cs1	ZINC000360472720	554876128	/nfs/dbraw/zinc/87/61/28/554876128.db2.gz	MJAMNMXOVGBUHH-UHFFFAOYSA-N	1	1	372.454	2.951	20	30		FEEDMO
N#CCCN(C(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1	ZINC000360925874	554895723	/nfs/dbraw/zinc/89/57/23/554895723.db2.gz	HQHKOEAWDBZGNQ-YZGWKJHDSA-N	1	1	352.482	2.349	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1	ZINC000362710094	554983240	/nfs/dbraw/zinc/98/32/40/554983240.db2.gz	HXHJZUFAOGDMTB-QFBILLFUSA-N	1	1	356.470	2.373	20	30		FEEDMO
C#CC[C@@H](NC(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1)c1ccccc1	ZINC000362729349	554984562	/nfs/dbraw/zinc/98/45/62/554984562.db2.gz	XXMJWLMYTOGUIG-PZJWPPBQSA-N	1	1	368.525	2.420	20	30		FEEDMO
CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1	ZINC000363142530	555039558	/nfs/dbraw/zinc/03/95/58/555039558.db2.gz	NJYSIBGBFOIATF-ROUUACIJSA-N	1	1	354.454	2.362	20	30		FEEDMO
CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1	ZINC000363142530	555039560	/nfs/dbraw/zinc/03/95/60/555039560.db2.gz	NJYSIBGBFOIATF-ROUUACIJSA-N	1	1	354.454	2.362	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)CCc1ccc(C#N)cc1	ZINC000363424113	555102007	/nfs/dbraw/zinc/10/20/07/555102007.db2.gz	OSVXWEXWXJLWKZ-AHRSYUTCSA-N	1	1	355.482	2.496	20	30		FEEDMO
N#Cc1ccc(N2CCC[N@H+]([C@@H](Cc3ccc(F)cc3)C(N)=O)CC2)cc1	ZINC000363668321	555160164	/nfs/dbraw/zinc/16/01/64/555160164.db2.gz	DLTJZHVLWMBFIV-FQEVSTJZSA-N	1	1	366.440	2.306	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO	ZINC000364122122	555254305	/nfs/dbraw/zinc/25/43/05/555254305.db2.gz	AGBAAJIVODOZSQ-SJORKVTESA-N	1	1	372.469	2.410	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3cncn3)C2)c1	ZINC000364490937	555323210	/nfs/dbraw/zinc/32/32/10/555323210.db2.gz	BFFKKVPXJFPBIP-QZTJIDSGSA-N	1	1	366.469	2.477	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](n3cncn3)C2)c1	ZINC000364490937	555323211	/nfs/dbraw/zinc/32/32/11/555323211.db2.gz	BFFKKVPXJFPBIP-QZTJIDSGSA-N	1	1	366.469	2.477	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C	ZINC000364553923	555336953	/nfs/dbraw/zinc/33/69/53/555336953.db2.gz	CUVMXHFJWVZTGR-WOUAJJJCSA-N	1	1	371.481	2.331	20	30		FEEDMO
C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000364681501	555373451	/nfs/dbraw/zinc/37/34/51/555373451.db2.gz	IKBGSYRLHVFWIB-FRQCXROJSA-N	1	1	359.518	2.021	20	30		FEEDMO
C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000512512695	561907981	/nfs/dbraw/zinc/90/79/81/561907981.db2.gz	YTKQFMKUQBFGRG-QGZVFWFLSA-N	1	1	362.434	2.008	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000364944406	555446102	/nfs/dbraw/zinc/44/61/02/555446102.db2.gz	OATPWRNTDIMFIX-JBYIUTFZSA-N	1	1	361.445	2.326	20	30		FEEDMO
N#C[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000364944406	555446104	/nfs/dbraw/zinc/44/61/04/555446104.db2.gz	OATPWRNTDIMFIX-JBYIUTFZSA-N	1	1	361.445	2.326	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@](C)(CC(=O)OC)c1cccc(F)c1	ZINC000513138146	561926581	/nfs/dbraw/zinc/92/65/81/561926581.db2.gz	DRLBHEWQGWUMCU-LIRRHRJNSA-N	1	1	363.433	2.202	20	30		FEEDMO
COC(=O)C[C@](C)([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1cccc(F)c1	ZINC000513149443	561927021	/nfs/dbraw/zinc/92/70/21/561927021.db2.gz	KXBNFJRBMXWUFG-RBUKOAKNSA-N	1	1	363.433	2.248	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)N=c2ccn(CCC#N)[nH]2)[C@H]1c1cccs1	ZINC000365645498	555630630	/nfs/dbraw/zinc/63/06/30/555630630.db2.gz	CIVLKJOABPGLJI-BBRMVZONSA-N	1	1	358.471	2.673	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(CCN2CCOCC2)CC1	ZINC000513819222	561951116	/nfs/dbraw/zinc/95/11/16/561951116.db2.gz	RYCFLUIINQYBAR-SFHVURJKSA-N	1	1	351.535	2.234	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4cc[nH]n4)o3)C2=O)cc1	ZINC000366836510	555947033	/nfs/dbraw/zinc/94/70/33/555947033.db2.gz	NKBMTHHBEPHAEV-SFHVURJKSA-N	1	1	361.405	2.432	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1	ZINC000367431042	556046655	/nfs/dbraw/zinc/04/66/55/556046655.db2.gz	NDQSZJJTCFRYCI-FQEVSTJZSA-N	1	1	370.497	2.250	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[N@H+](C4CC4)CC3)C2)c(F)c1	ZINC000367665718	556109069	/nfs/dbraw/zinc/10/90/69/556109069.db2.gz	LPQCKGDTHYFMOW-MRXNPFEDSA-N	1	1	356.445	2.220	20	30		FEEDMO
COC(=O)[C@]12CCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2	ZINC000367794134	556141093	/nfs/dbraw/zinc/14/10/93/556141093.db2.gz	KRUUVWCMHFDGRT-CFZJUORYSA-N	1	1	359.426	2.370	20	30		FEEDMO
COC(=O)[C@]12CCC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2	ZINC000367794134	556141096	/nfs/dbraw/zinc/14/10/96/556141096.db2.gz	KRUUVWCMHFDGRT-CFZJUORYSA-N	1	1	359.426	2.370	20	30		FEEDMO
C=CCN(C(=O)NCc1cncn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000367851428	556154642	/nfs/dbraw/zinc/15/46/42/556154642.db2.gz	VKBTZEGSEFIZQQ-SFHVURJKSA-N	1	1	353.470	2.392	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](CC(N)=O)C3)sc2C1	ZINC000367987553	556188695	/nfs/dbraw/zinc/18/86/95/556188695.db2.gz	FTXGFCFIOOMGTM-CHWSQXEVSA-N	1	1	374.510	2.270	20	30		FEEDMO
C=CCN=c1[nH]cc(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)s1	ZINC000622059767	556214996	/nfs/dbraw/zinc/21/49/96/556214996.db2.gz	APJBVZMLMWJEGY-ZDUSSCGKSA-N	1	1	350.488	2.066	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2	ZINC000368087151	556215396	/nfs/dbraw/zinc/21/53/96/556215396.db2.gz	CQDLEHHFYQFPFL-FQEVSTJZSA-N	1	1	352.438	2.112	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2	ZINC000368087151	556215398	/nfs/dbraw/zinc/21/53/98/556215398.db2.gz	CQDLEHHFYQFPFL-FQEVSTJZSA-N	1	1	352.438	2.112	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](n3cncn3)C2)ccc1Cl	ZINC000368411774	556300336	/nfs/dbraw/zinc/30/03/36/556300336.db2.gz	PDPZUBZVSYPVIK-MRXNPFEDSA-N	1	1	372.860	2.434	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](n3cncn3)C2)ccc1Cl	ZINC000368411774	556300337	/nfs/dbraw/zinc/30/03/37/556300337.db2.gz	PDPZUBZVSYPVIK-MRXNPFEDSA-N	1	1	372.860	2.434	20	30		FEEDMO
Cc1oc(NC(=O)CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)c(C#N)c1C	ZINC000368418865	556303864	/nfs/dbraw/zinc/30/38/64/556303864.db2.gz	YZEQOJNHAWPSOL-FDQGKXFDSA-N	1	1	374.485	2.186	20	30		FEEDMO
Cc1oc(NC(=O)CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c(C#N)c1C	ZINC000368418868	556303893	/nfs/dbraw/zinc/30/38/93/556303893.db2.gz	YZEQOJNHAWPSOL-QANKJYHBSA-N	1	1	374.485	2.186	20	30		FEEDMO
CC(C)n1cc(C[N@@H+]2CCCN(C(=O)NCC3(CC#N)CC3)CC2)cn1	ZINC000368463473	556317765	/nfs/dbraw/zinc/31/77/65/556317765.db2.gz	UTPVSZFETNRXPE-UHFFFAOYSA-N	1	1	358.490	2.375	20	30		FEEDMO
CC(C)n1cc(C[N@H+]2CCCN(C(=O)NCC3(CC#N)CC3)CC2)cn1	ZINC000368463473	556317766	/nfs/dbraw/zinc/31/77/66/556317766.db2.gz	UTPVSZFETNRXPE-UHFFFAOYSA-N	1	1	358.490	2.375	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1	ZINC000368819123	556421844	/nfs/dbraw/zinc/42/18/44/556421844.db2.gz	YJADKINUSHOORB-RTBURBONSA-N	1	1	371.481	2.022	20	30		FEEDMO
Cc1c(C#N)c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc2ccccc12	ZINC000515594471	562016397	/nfs/dbraw/zinc/01/63/97/562016397.db2.gz	FOHZUNACYGRWQU-LJQANCHMSA-N	1	1	363.465	2.158	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1	ZINC000368976506	556465625	/nfs/dbraw/zinc/46/56/25/556465625.db2.gz	WVMFRFIHZWIKOS-DKKFBQAASA-N	1	1	368.481	2.216	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1	ZINC000368976506	556465628	/nfs/dbraw/zinc/46/56/28/556465628.db2.gz	WVMFRFIHZWIKOS-DKKFBQAASA-N	1	1	368.481	2.216	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2nccc(C(F)(F)F)n2)CC1	ZINC000369049155	556488662	/nfs/dbraw/zinc/48/86/62/556488662.db2.gz	KYEYFFIXOKQPIY-GFCCVEGCSA-N	1	1	369.391	2.435	20	30		FEEDMO
CSc1cccc(NC(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000369083392	556500561	/nfs/dbraw/zinc/50/05/61/556500561.db2.gz	IRRHAWCYRMMGSZ-UHFFFAOYSA-N	1	1	356.455	2.147	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@H]21	ZINC000369116835	556508818	/nfs/dbraw/zinc/50/88/18/556508818.db2.gz	OCJYRLJMVLEIBF-XHDPSFHLSA-N	1	1	373.400	2.292	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1	ZINC000369274014	556559697	/nfs/dbraw/zinc/55/96/97/556559697.db2.gz	LRRJZCXRXSTGKK-SFHVURJKSA-N	1	1	354.454	2.364	20	30		FEEDMO
COc1ccc([C@@H]2[C@@H](CNC(=O)N3CCO[C@@H](C#N)C3)CCC[N@H+]2C)cc1	ZINC000369399111	556590867	/nfs/dbraw/zinc/59/08/67/556590867.db2.gz	ADZMNSFIFGGZBI-NZSAHSFTSA-N	1	1	372.469	2.012	20	30		FEEDMO
Cn1cc([C@H]2[C@H](CNC(=O)NCc3ccc(C#N)cc3)CCC[N@H+]2C)cn1	ZINC000369427845	556598345	/nfs/dbraw/zinc/59/83/45/556598345.db2.gz	RXBOZHAZKFYVOH-PKOBYXMFSA-N	1	1	366.469	2.174	20	30		FEEDMO
CC(C)c1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000369445802	556602020	/nfs/dbraw/zinc/60/20/20/556602020.db2.gz	ADRCWUVFEGORQS-HNNXBMFYSA-N	1	1	359.455	2.126	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1	ZINC000369551341	556628832	/nfs/dbraw/zinc/62/88/32/556628832.db2.gz	CJMZNIAYTHWMGG-GOSISDBHSA-N	1	1	374.448	2.097	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1	ZINC000369551341	556628834	/nfs/dbraw/zinc/62/88/34/556628834.db2.gz	CJMZNIAYTHWMGG-GOSISDBHSA-N	1	1	374.448	2.097	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CCN1CCC[N@H+](C2CCOCC2)CC1	ZINC000369551867	556629173	/nfs/dbraw/zinc/62/91/73/556629173.db2.gz	UFALHBPCNNOWTJ-UHFFFAOYSA-N	1	1	362.499	2.135	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000369591164	556640901	/nfs/dbraw/zinc/64/09/01/556640901.db2.gz	KCCOYXLFCRMMGO-QGZVFWFLSA-N	1	1	357.454	2.423	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000516243642	562037139	/nfs/dbraw/zinc/03/71/39/562037139.db2.gz	TXCVEILKMJDECJ-KXBFYZLASA-N	1	1	352.438	2.214	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000516243642	562037140	/nfs/dbraw/zinc/03/71/40/562037140.db2.gz	TXCVEILKMJDECJ-KXBFYZLASA-N	1	1	352.438	2.214	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1	ZINC000369609692	556646728	/nfs/dbraw/zinc/64/67/28/556646728.db2.gz	RWSUUZXFIGFAGP-HNNXBMFYSA-N	1	1	373.505	2.007	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3C#N)C[C@H]2[C@H]1c1ccccc1	ZINC000369678089	556666335	/nfs/dbraw/zinc/66/63/35/556666335.db2.gz	JLXYCURXVADXBE-QWFCFKBJSA-N	1	1	367.474	2.482	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)CSc1nc(C)c(C)c(C)c1C#N	ZINC000516395814	562041803	/nfs/dbraw/zinc/04/18/03/562041803.db2.gz	JNTYBZVDIXUOFC-UHFFFAOYSA-N	1	1	364.515	2.055	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000370001282	556754318	/nfs/dbraw/zinc/75/43/18/556754318.db2.gz	ZTONEQLVWJELIP-UKRRQHHQSA-N	1	1	368.416	2.583	20	30		FEEDMO
C#CCCOc1ccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1	ZINC000370159290	556797195	/nfs/dbraw/zinc/79/71/95/556797195.db2.gz	HVVIBUXSXJEIPI-UHFFFAOYSA-N	1	1	362.495	2.089	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1	ZINC000370159290	556797200	/nfs/dbraw/zinc/79/72/00/556797200.db2.gz	HVVIBUXSXJEIPI-UHFFFAOYSA-N	1	1	362.495	2.089	20	30		FEEDMO
COC(=O)CN1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000370237579	556818824	/nfs/dbraw/zinc/81/88/24/556818824.db2.gz	ZBYAWDBKCOHSMB-UHFFFAOYSA-N	1	1	354.372	2.238	20	30		FEEDMO
COC(=O)CN1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000370237579	556818821	/nfs/dbraw/zinc/81/88/21/556818821.db2.gz	ZBYAWDBKCOHSMB-UHFFFAOYSA-N	1	1	354.372	2.238	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1	ZINC000370440351	556873987	/nfs/dbraw/zinc/87/39/87/556873987.db2.gz	ITSQQUVFBURIGJ-ZWKOTPCHSA-N	1	1	353.422	2.356	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1	ZINC000370440351	556873988	/nfs/dbraw/zinc/87/39/88/556873988.db2.gz	ITSQQUVFBURIGJ-ZWKOTPCHSA-N	1	1	353.422	2.356	20	30		FEEDMO
Cc1nnc([C@@H]2CC23CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC3)o1	ZINC000370815661	556977209	/nfs/dbraw/zinc/97/72/09/556977209.db2.gz	FWBWZVDQBJHXHB-KRWDZBQOSA-N	1	1	365.437	2.136	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC2(CCOC2=O)CC1	ZINC000371148550	557089665	/nfs/dbraw/zinc/08/96/65/557089665.db2.gz	MZHBTEGAQVSVJM-NGEICVOHSA-N	1	1	361.486	2.335	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000371344612	557154348	/nfs/dbraw/zinc/15/43/48/557154348.db2.gz	MFOBTKSNFMQBFT-IBGZPJMESA-N	1	1	362.562	2.066	20	30		FEEDMO
COc1ccnc(N2CCC[N@@H+](Cc3ccc(O[C@H](C)C#N)cc3)CC2)n1	ZINC000371421263	557181606	/nfs/dbraw/zinc/18/16/06/557181606.db2.gz	PIQWOGPNFDXSER-MRXNPFEDSA-N	1	1	367.453	2.488	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@H]21	ZINC000371505386	557203618	/nfs/dbraw/zinc/20/36/18/557203618.db2.gz	IXDNJDMMVNYEGN-TZMCWYRMSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCN(C)c1ccccc1	ZINC000517735292	562096847	/nfs/dbraw/zinc/09/68/47/562096847.db2.gz	HRURPDHVSZTHFU-QGZVFWFLSA-N	1	1	350.470	2.385	20	30		FEEDMO
CC(C)(CCC#N)C[N@H+]1CCC[C@H](c2n[nH]cc2NS(C)(=O)=O)C1	ZINC000371607770	557237968	/nfs/dbraw/zinc/23/79/68/557237968.db2.gz	ORLVSKZOGORXOK-ZDUSSCGKSA-N	1	1	353.492	2.291	20	30		FEEDMO
COc1cc(C[N@@H+](CCO)C[C@@H](C)O)ccc1OCc1cccc(C#N)c1	ZINC000517784548	562098092	/nfs/dbraw/zinc/09/80/92/562098092.db2.gz	JUVHGBQKAIYCCU-MRXNPFEDSA-N	1	1	370.449	2.321	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1	ZINC000518559617	562114369	/nfs/dbraw/zinc/11/43/69/562114369.db2.gz	CLDYYUIICJYWGP-GJZGRUSLSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1	ZINC000518559617	562114370	/nfs/dbraw/zinc/11/43/70/562114370.db2.gz	CLDYYUIICJYWGP-GJZGRUSLSA-N	1	1	374.510	2.429	20	30		FEEDMO
CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000518839935	562119594	/nfs/dbraw/zinc/11/95/94/562119594.db2.gz	KLNXJCZZAMQFDB-CQSZACIVSA-N	1	1	355.446	2.381	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH+]1CCC(c2nccc(C(F)(F)F)n2)CC1	ZINC000372623392	557523585	/nfs/dbraw/zinc/52/35/85/557523585.db2.gz	ZBPPARUGLILPAM-UHFFFAOYSA-N	1	1	369.391	2.437	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+](C)C1CCN(c2cc(C)nc(C)n2)CC1	ZINC000372717944	557545956	/nfs/dbraw/zinc/54/59/56/557545956.db2.gz	PQOTUYKFUDSDIT-UHFFFAOYSA-N	1	1	357.502	2.195	20	30		FEEDMO
N#Cc1ccc(Br)c(CN2CC[NH+]([C@H]3CCOC3)CC2)c1	ZINC000372811667	557566850	/nfs/dbraw/zinc/56/68/50/557566850.db2.gz	ISEYKEWMOFVPHZ-HNNXBMFYSA-N	1	1	350.260	2.227	20	30		FEEDMO
COc1ccc(OCC[N@H+](C)CC(=O)NCc2cccc(C#N)c2)cc1	ZINC000519907918	562147631	/nfs/dbraw/zinc/14/76/31/562147631.db2.gz	QIJDHNJVYITVGG-UHFFFAOYSA-N	1	1	353.422	2.194	20	30		FEEDMO
COc1ccc(OCC[N@@H+](C)CC(=O)NCc2cccc(C#N)c2)cc1	ZINC000519907918	562147632	/nfs/dbraw/zinc/14/76/32/562147632.db2.gz	QIJDHNJVYITVGG-UHFFFAOYSA-N	1	1	353.422	2.194	20	30		FEEDMO
C=CCN(C(=O)NCc1ncnn1CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000373538698	557713562	/nfs/dbraw/zinc/71/35/62/557713562.db2.gz	OYFGMPDWNFNTDA-GOSISDBHSA-N	1	1	368.485	2.270	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1F	ZINC000373863448	557775734	/nfs/dbraw/zinc/77/57/34/557775734.db2.gz	BKTTUYZOHFNOOK-UHFFFAOYSA-N	1	1	351.447	2.087	20	30		FEEDMO
N#Cc1cccc(-n2ccc(C(=O)N3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)n2)c1	ZINC000373960171	557796537	/nfs/dbraw/zinc/79/65/37/557796537.db2.gz	YUHGGMTUHDFTFH-ILZDJORESA-N	1	1	361.449	2.300	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000520847495	562165000	/nfs/dbraw/zinc/16/50/00/562165000.db2.gz	DLPAYBYNHDUFKH-SWLSCSKDSA-N	1	1	351.834	2.193	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000520847495	562165001	/nfs/dbraw/zinc/16/50/01/562165001.db2.gz	DLPAYBYNHDUFKH-SWLSCSKDSA-N	1	1	351.834	2.193	20	30		FEEDMO
C#CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cc1	ZINC000374351507	557869935	/nfs/dbraw/zinc/86/99/35/557869935.db2.gz	OUFISQKHIAZXOY-FQEVSTJZSA-N	1	1	356.466	2.206	20	30		FEEDMO
C#CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cc1	ZINC000374351507	557869936	/nfs/dbraw/zinc/86/99/36/557869936.db2.gz	OUFISQKHIAZXOY-FQEVSTJZSA-N	1	1	356.466	2.206	20	30		FEEDMO
N#Cc1ccc(OCCC[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cc1	ZINC000374393178	557877850	/nfs/dbraw/zinc/87/78/50/557877850.db2.gz	UYHPQCRKSARIOG-FQEVSTJZSA-N	1	1	371.481	2.334	20	30		FEEDMO
C=CC1CCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1	ZINC000521174927	562170959	/nfs/dbraw/zinc/17/09/59/562170959.db2.gz	VCHHMDHFXKZANX-UHFFFAOYSA-N	1	1	370.497	2.182	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C[C@@H]3CCCc4ccccc43)C2)CCO1	ZINC000374929331	557952638	/nfs/dbraw/zinc/95/26/38/557952638.db2.gz	KTQULYJAOFLKAD-IPMKNSEASA-N	1	1	353.466	2.179	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1	ZINC000375471094	558033096	/nfs/dbraw/zinc/03/30/96/558033096.db2.gz	PPQNTISZANVLSR-HOTGVXAUSA-N	1	1	354.410	2.048	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc1Cl	ZINC000375520618	558042492	/nfs/dbraw/zinc/04/24/92/558042492.db2.gz	UVPWVNQERJKUQU-CVEARBPZSA-N	1	1	374.872	2.339	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCN(c2ccccc2OC)CC[C@@H]1C	ZINC000375672430	558065367	/nfs/dbraw/zinc/06/53/67/558065367.db2.gz	MVABHPDUIYHFBY-KRWDZBQOSA-N	1	1	358.486	2.358	20	30		FEEDMO
CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000375705734	558070465	/nfs/dbraw/zinc/07/04/65/558070465.db2.gz	HNIOYINOPOOPCH-AEFFLSMTSA-N	1	1	364.515	2.062	20	30		FEEDMO
C#CC[C@@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1	ZINC000376208081	558141076	/nfs/dbraw/zinc/14/10/76/558141076.db2.gz	CFARIUKQPVNEKA-WOJBJXKFSA-N	1	1	354.498	2.172	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1	ZINC000376546811	558188508	/nfs/dbraw/zinc/18/85/08/558188508.db2.gz	FJOBPBZCDQLNPC-QFIPXVFZSA-N	1	1	368.525	2.219	20	30		FEEDMO
C=CC[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1	ZINC000376906456	558237294	/nfs/dbraw/zinc/23/72/94/558237294.db2.gz	FMSKFNZJIINZIY-MOPGFXCFSA-N	1	1	355.482	2.287	20	30		FEEDMO
C=CC[C@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1	ZINC000376906457	558237371	/nfs/dbraw/zinc/23/73/71/558237371.db2.gz	FMSKFNZJIINZIY-OALUTQOASA-N	1	1	355.482	2.287	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1	ZINC000377360225	558324768	/nfs/dbraw/zinc/32/47/68/558324768.db2.gz	XUDUOQWDPGDWPO-IHPCNDPISA-N	1	1	357.502	2.061	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(n2cncn2)CC1	ZINC000377476924	558347412	/nfs/dbraw/zinc/34/74/12/558347412.db2.gz	RRRXIIVSVDZCHQ-GFCCVEGCSA-N	1	1	358.833	2.467	20	30		FEEDMO
CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000377641560	558384364	/nfs/dbraw/zinc/38/43/64/558384364.db2.gz	OEWYNWOLCFPGJX-FQEVSTJZSA-N	1	1	354.498	2.118	20	30		FEEDMO
CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000377641560	558384367	/nfs/dbraw/zinc/38/43/67/558384367.db2.gz	OEWYNWOLCFPGJX-FQEVSTJZSA-N	1	1	354.498	2.118	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c1	ZINC000377684326	558395880	/nfs/dbraw/zinc/39/58/80/558395880.db2.gz	WRTBVZPMNZGOMN-FQEVSTJZSA-N	1	1	360.461	2.311	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1	ZINC000377717127	558404281	/nfs/dbraw/zinc/40/42/81/558404281.db2.gz	DLAOYMCBJBCOMD-RLLQIKCJSA-N	1	1	354.498	2.201	20	30		FEEDMO
N#Cc1cccc([C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)CCO2)c1	ZINC000378298564	558523498	/nfs/dbraw/zinc/52/34/98/558523498.db2.gz	GVQQUGQTEUEYPC-VQTJNVASSA-N	1	1	369.465	2.102	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)OCC	ZINC000378311669	558526701	/nfs/dbraw/zinc/52/67/01/558526701.db2.gz	JDQMAQAUDDEQKK-IBGZPJMESA-N	1	1	351.535	2.375	20	30		FEEDMO
C=C(C)COc1cc(C[NH+]2CCC(S(=O)(=O)NC)CC2)ccc1OC	ZINC000378335140	558532069	/nfs/dbraw/zinc/53/20/69/558532069.db2.gz	QNOJIBOQFCBKHA-UHFFFAOYSA-N	1	1	368.499	2.164	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1	ZINC000378369902	558541668	/nfs/dbraw/zinc/54/16/68/558541668.db2.gz	MCAGKWHEEVHMGQ-QGZVFWFLSA-N	1	1	372.513	2.046	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1	ZINC000378369902	558541671	/nfs/dbraw/zinc/54/16/71/558541671.db2.gz	MCAGKWHEEVHMGQ-QGZVFWFLSA-N	1	1	372.513	2.046	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1	ZINC000378564031	558584090	/nfs/dbraw/zinc/58/40/90/558584090.db2.gz	HVCXKPDWJUXKLK-IBGZPJMESA-N	1	1	359.433	2.471	20	30		FEEDMO
COc1cccc([C@H](CNS(=O)(=O)c2ccc(C#N)s2)[NH+](C)C)c1	ZINC000392245334	558616758	/nfs/dbraw/zinc/61/67/58/558616758.db2.gz	CXGYTZKPPIGODH-HNNXBMFYSA-N	1	1	365.480	2.210	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[N@@H+](C)C1CC1	ZINC000410117603	558739380	/nfs/dbraw/zinc/73/93/80/558739380.db2.gz	MOYFAMWGUPKIBW-JTQLQIEISA-N	1	1	361.389	2.338	20	30		FEEDMO
C=CC[N@H+](CC1CCCCC1)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC000411263946	558863396	/nfs/dbraw/zinc/86/33/96/558863396.db2.gz	UILBDWKNXPZGBV-RDJZCZTQSA-N	1	1	356.532	2.089	20	30		FEEDMO
C=CC[N@@H+](CC1CCCCC1)[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC000411263946	558863398	/nfs/dbraw/zinc/86/33/98/558863398.db2.gz	UILBDWKNXPZGBV-RDJZCZTQSA-N	1	1	356.532	2.089	20	30		FEEDMO
CS(=O)(=O)C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccccc1	ZINC000411471993	558900665	/nfs/dbraw/zinc/90/06/65/558900665.db2.gz	GRWTUZPYRRDOME-GOSISDBHSA-N	1	1	371.462	2.262	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c1	ZINC000411967360	558996876	/nfs/dbraw/zinc/99/68/76/558996876.db2.gz	MUNLVCQCKBMTAI-OAQYLSRUSA-N	1	1	362.433	2.016	20	30		FEEDMO
C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)CN1CCOCC1	ZINC000412084438	559011601	/nfs/dbraw/zinc/01/16/01/559011601.db2.gz	CFAMLZODPBPCKW-UHFFFAOYSA-N	1	1	364.877	2.193	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)CN1CCOCC1	ZINC000412084438	559011602	/nfs/dbraw/zinc/01/16/02/559011602.db2.gz	CFAMLZODPBPCKW-UHFFFAOYSA-N	1	1	364.877	2.193	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](CCN(C)C)CC1	ZINC000413106261	559078574	/nfs/dbraw/zinc/07/85/74/559078574.db2.gz	ZVXOHBOBOLAXTK-HXUWFJFHSA-N	1	1	358.530	2.499	20	30		FEEDMO
CC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000413263700	559093242	/nfs/dbraw/zinc/09/32/42/559093242.db2.gz	MSQHBGOWZWZDBG-JKSUJKDBSA-N	1	1	359.449	2.060	20	30		FEEDMO
C=C(C)COc1cc(CN2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)ccc1OC	ZINC000414489216	559167968	/nfs/dbraw/zinc/16/79/68/559167968.db2.gz	MNYXFUUZSPXOHZ-QGZVFWFLSA-N	1	1	362.470	2.187	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@H](O)[C@@H](CO)C3)c2)c1	ZINC000414556048	559171481	/nfs/dbraw/zinc/17/14/81/559171481.db2.gz	JEEHUHOXRHIIMR-CTNGQTDRSA-N	1	1	352.434	2.312	20	30		FEEDMO
C[C@@H](C#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000416399235	559310115	/nfs/dbraw/zinc/31/01/15/559310115.db2.gz	OGHFTFDQAYFGBS-SMDDNHRTSA-N	1	1	361.389	2.111	20	30		FEEDMO
C[C@@H](C#N)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000416399235	559310116	/nfs/dbraw/zinc/31/01/16/559310116.db2.gz	OGHFTFDQAYFGBS-SMDDNHRTSA-N	1	1	361.389	2.111	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000416685024	559329648	/nfs/dbraw/zinc/32/96/48/559329648.db2.gz	LRNNGTVMXFFVLB-PKOBYXMFSA-N	1	1	356.470	2.346	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)cc1	ZINC000418776585	559415444	/nfs/dbraw/zinc/41/54/44/559415444.db2.gz	UFOLQLGFQZCMSV-FQEVSTJZSA-N	1	1	369.513	2.308	20	30		FEEDMO
CC(C)(C)NC(=O)CN1CCC(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1	ZINC000421337990	559539570	/nfs/dbraw/zinc/53/95/70/559539570.db2.gz	BNWAWJWDRWVFKB-UHFFFAOYSA-N	1	1	360.477	2.414	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)C(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000421709495	559550424	/nfs/dbraw/zinc/55/04/24/559550424.db2.gz	FOAVMYKFUQMTSL-SFHVURJKSA-N	1	1	356.470	2.266	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422478338	559590873	/nfs/dbraw/zinc/59/08/73/559590873.db2.gz	GZFIUPLKIFIICA-KRWDZBQOSA-N	1	1	370.497	2.165	20	30		FEEDMO
C=CCCn1cc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)nn1	ZINC000424608701	559671039	/nfs/dbraw/zinc/67/10/39/559671039.db2.gz	BNERBPGFCSVFET-INIZCTEOSA-N	1	1	369.469	2.005	20	30		FEEDMO
C=CCCn1cc(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)nn1	ZINC000424608701	559671040	/nfs/dbraw/zinc/67/10/40/559671040.db2.gz	BNERBPGFCSVFET-INIZCTEOSA-N	1	1	369.469	2.005	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1	ZINC000425221052	559692032	/nfs/dbraw/zinc/69/20/32/559692032.db2.gz	JOLQTIAZPOLLLX-IYBDPMFKSA-N	1	1	357.458	2.461	20	30		FEEDMO
C=CCn1cc(CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)nn1	ZINC000425396153	559700113	/nfs/dbraw/zinc/70/01/13/559700113.db2.gz	JSGFBIIOPKGPPB-UHFFFAOYSA-N	1	1	368.485	2.100	20	30		FEEDMO
N#C[C@H]1CC[C@@H](NC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1	ZINC000425409292	559700746	/nfs/dbraw/zinc/70/07/46/559700746.db2.gz	AKUOMXCEAQLWBR-VQTJNVASSA-N	1	1	369.513	2.186	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1	ZINC000425470325	559703890	/nfs/dbraw/zinc/70/38/90/559703890.db2.gz	FMOKRGADDOINJG-QFBILLFUSA-N	1	1	368.485	2.174	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c(C#N)cn1CC	ZINC000425679884	559714485	/nfs/dbraw/zinc/71/44/85/559714485.db2.gz	MJYUWMVDDDHGDG-DZGCQCFKSA-N	1	1	373.457	2.114	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1	ZINC000425884966	559724002	/nfs/dbraw/zinc/72/40/02/559724002.db2.gz	LBYKWPAEYYSXRA-APWZRJJASA-N	1	1	370.497	2.458	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(O)(C(F)F)CC1	ZINC000426247091	559731560	/nfs/dbraw/zinc/73/15/60/559731560.db2.gz	YLBOZTOVMPVLGZ-UUCFBXCCSA-N	1	1	357.445	2.398	20	30		FEEDMO
Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428818667	559784030	/nfs/dbraw/zinc/78/40/30/559784030.db2.gz	NOUOXLAKYLSOEF-RTBURBONSA-N	1	1	367.449	2.463	20	30		FEEDMO
C(#CC[N@@H+]1CCOC[C@H](C2CCC2)C1)C[NH+]1CCOC[C@@H](C2CCC2)C1	ZINC000429028238	559789295	/nfs/dbraw/zinc/78/92/95/559789295.db2.gz	MAUFHYXMWGEYMN-SZPZYZBQSA-N	1	1	360.542	2.487	20	30		FEEDMO
C(#CC[N@H+]1CCOC[C@H](C2CCC2)C1)C[NH+]1CCOC[C@@H](C2CCC2)C1	ZINC000429028238	559789296	/nfs/dbraw/zinc/78/92/96/559789296.db2.gz	MAUFHYXMWGEYMN-SZPZYZBQSA-N	1	1	360.542	2.487	20	30		FEEDMO
C(#CC[N@@H+]1CCOC[C@H](C2CCC2)C1)CN1CCOC[C@@H](C2CCC2)C1	ZINC000429028238	559789297	/nfs/dbraw/zinc/78/92/97/559789297.db2.gz	MAUFHYXMWGEYMN-SZPZYZBQSA-N	1	1	360.542	2.487	20	30		FEEDMO
C(#CC[N@H+]1CCOC[C@H](C2CCC2)C1)CN1CCOC[C@@H](C2CCC2)C1	ZINC000429028238	559789298	/nfs/dbraw/zinc/78/92/98/559789298.db2.gz	MAUFHYXMWGEYMN-SZPZYZBQSA-N	1	1	360.542	2.487	20	30		FEEDMO
C(#CC[N@H+]1CCOC[C@@H](C2CCC2)C1)CN1CCOC[C@H](C2CCC2)C1	ZINC000429028238	559789300	/nfs/dbraw/zinc/78/93/00/559789300.db2.gz	MAUFHYXMWGEYMN-SZPZYZBQSA-N	1	1	360.542	2.487	20	30		FEEDMO
C=CC[C@H](CO)CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000429036846	559789777	/nfs/dbraw/zinc/78/97/77/559789777.db2.gz	UVDBFSYWYIZJJJ-ROUUACIJSA-N	1	1	363.527	2.088	20	30		FEEDMO
C=CC[C@H](CO)CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429036846	559789778	/nfs/dbraw/zinc/78/97/78/559789778.db2.gz	UVDBFSYWYIZJJJ-ROUUACIJSA-N	1	1	363.527	2.088	20	30		FEEDMO
C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000429130484	559791325	/nfs/dbraw/zinc/79/13/25/559791325.db2.gz	CZEGJWWJIMHIOW-BBRMVZONSA-N	1	1	354.372	2.018	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1	ZINC000429724068	559804561	/nfs/dbraw/zinc/80/45/61/559804561.db2.gz	WLBJGEMDFIQJBL-LJQANCHMSA-N	1	1	363.477	2.165	20	30		FEEDMO
Cc1[nH]nc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1C#N	ZINC000431444382	559839353	/nfs/dbraw/zinc/83/93/53/559839353.db2.gz	JXPSNOFDDALECT-CHWSQXEVSA-N	1	1	353.426	2.451	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000432462445	559859266	/nfs/dbraw/zinc/85/92/66/559859266.db2.gz	SXNYCRIHXGPLPR-QZTJIDSGSA-N	1	1	354.454	2.410	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCCO1	ZINC000432872876	559866822	/nfs/dbraw/zinc/86/68/22/559866822.db2.gz	OOCHJKHGIJHIPZ-CQSZACIVSA-N	1	1	369.425	2.927	20	30		FEEDMO
C[C@@H](CN1CCOCC1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000434711848	559907518	/nfs/dbraw/zinc/90/75/18/559907518.db2.gz	RZQLPQZPQBOPJY-AWEZNQCLSA-N	1	1	364.877	2.193	20	30		FEEDMO
C=CCC[C@@H](NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1	ZINC000435756088	559929720	/nfs/dbraw/zinc/92/97/20/559929720.db2.gz	AOFZPYCFGGYNEL-LJQANCHMSA-N	1	1	372.513	2.499	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1	ZINC000435957723	559933188	/nfs/dbraw/zinc/93/31/88/559933188.db2.gz	YHXXWRSEPUARFF-IBGZPJMESA-N	1	1	362.433	2.450	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C	ZINC000439419123	559993546	/nfs/dbraw/zinc/99/35/46/559993546.db2.gz	FDVDHLCMNCNLJH-QGZVFWFLSA-N	1	1	356.470	2.432	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1	ZINC000439469445	559994724	/nfs/dbraw/zinc/99/47/24/559994724.db2.gz	AAADDBWHXBULKW-TWOQFEAHSA-N	1	1	363.502	2.438	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440491302	560012177	/nfs/dbraw/zinc/01/21/77/560012177.db2.gz	GZFTXGAMUZQUJV-OXJNMPFZSA-N	1	1	367.534	2.195	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440491302	560012178	/nfs/dbraw/zinc/01/21/78/560012178.db2.gz	GZFTXGAMUZQUJV-OXJNMPFZSA-N	1	1	367.534	2.195	20	30		FEEDMO
C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(C#N)c(O)c3)nc2)C1	ZINC000443066673	560068864	/nfs/dbraw/zinc/06/88/64/560068864.db2.gz	RXOAMAYEUPRYIT-MRXNPFEDSA-N	1	1	351.410	2.051	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[N@H+]1CCCC[C@@H]1C	ZINC000443104694	560070639	/nfs/dbraw/zinc/07/06/39/560070639.db2.gz	NYSBTDHISMEYOJ-STQMWFEESA-N	1	1	366.443	2.008	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c1	ZINC000443851535	560094559	/nfs/dbraw/zinc/09/45/59/560094559.db2.gz	IKWWHZOOOCBLAZ-LJQANCHMSA-N	1	1	371.462	2.000	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c1	ZINC000443851535	560094560	/nfs/dbraw/zinc/09/45/60/560094560.db2.gz	IKWWHZOOOCBLAZ-LJQANCHMSA-N	1	1	371.462	2.000	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](OCCOC)C1	ZINC000444749822	560119618	/nfs/dbraw/zinc/11/96/18/560119618.db2.gz	VSPPXTSBWYYESP-CVEARBPZSA-N	1	1	352.500	2.389	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc1	ZINC000444789238	560120959	/nfs/dbraw/zinc/12/09/59/560120959.db2.gz	CXNITSMBUHZVJP-FQEVSTJZSA-N	1	1	363.461	2.402	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](O)C(C)(C)C2)cc1	ZINC000446069979	560139211	/nfs/dbraw/zinc/13/92/11/560139211.db2.gz	MFWXTFDYXAWNJA-SFHVURJKSA-N	1	1	359.470	2.425	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](O)C(C)(C)C2)cc1	ZINC000446069979	560139212	/nfs/dbraw/zinc/13/92/12/560139212.db2.gz	MFWXTFDYXAWNJA-SFHVURJKSA-N	1	1	359.470	2.425	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1	ZINC000447433067	560162294	/nfs/dbraw/zinc/16/22/94/560162294.db2.gz	YRHIIRSANZXRIN-UHFFFAOYSA-N	1	1	359.470	2.428	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C	ZINC000447926734	560173516	/nfs/dbraw/zinc/17/35/16/560173516.db2.gz	NDHCSULSQLJQMI-DZFGPLHGSA-N	1	1	373.497	2.083	20	30		FEEDMO
N#Cc1c(Br)cccc1OCC(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000449831511	560241764	/nfs/dbraw/zinc/24/17/64/560241764.db2.gz	WLWXAZOXEUCHJP-LBPRGKRZSA-N	1	1	364.243	2.006	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000450144052	560252050	/nfs/dbraw/zinc/25/20/50/560252050.db2.gz	FXPWNKVIYXYHIM-UHFFFAOYSA-N	1	1	371.872	2.102	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)COc1cccc(Br)c1C#N	ZINC000450373622	560260336	/nfs/dbraw/zinc/26/03/36/560260336.db2.gz	CZEBEQYYLVAJSI-NWDGAFQWSA-N	1	1	366.259	2.251	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO	ZINC000450519285	560264987	/nfs/dbraw/zinc/26/49/87/560264987.db2.gz	MBXCITCUHCYVAU-GOSISDBHSA-N	1	1	352.438	2.082	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(CC#N)cc2Cl)CC1	ZINC000451171256	560291133	/nfs/dbraw/zinc/29/11/33/560291133.db2.gz	NCBVLVOXKJDDFL-UHFFFAOYSA-N	1	1	353.875	2.335	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1	ZINC000451179124	560291593	/nfs/dbraw/zinc/29/15/93/560291593.db2.gz	CLONAVOAIRYNNE-QGZVFWFLSA-N	1	1	369.494	2.232	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000451190568	560292377	/nfs/dbraw/zinc/29/23/77/560292377.db2.gz	LILWTQAUVLCJAC-QGZVFWFLSA-N	1	1	353.463	2.381	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(S(=O)(=O)CC(C)(C)CC#N)CC1	ZINC000451365671	560302874	/nfs/dbraw/zinc/30/28/74/560302874.db2.gz	WZNQSKBOUGUOQA-UHFFFAOYSA-N	1	1	373.563	2.326	20	30		FEEDMO
CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C	ZINC000451561616	560314878	/nfs/dbraw/zinc/31/48/78/560314878.db2.gz	JAIRKPSLZXQYNB-RHSMWYFYSA-N	1	1	353.426	2.039	20	30		FEEDMO
CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C	ZINC000451561616	560314879	/nfs/dbraw/zinc/31/48/79/560314879.db2.gz	JAIRKPSLZXQYNB-RHSMWYFYSA-N	1	1	353.426	2.039	20	30		FEEDMO
C[C@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000451880590	560334121	/nfs/dbraw/zinc/33/41/21/560334121.db2.gz	WZPXEQDVXIVICT-ZBFHGGJFSA-N	1	1	371.403	2.114	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1	ZINC000452032882	560346756	/nfs/dbraw/zinc/34/67/56/560346756.db2.gz	OKXXDWBGRVHVDO-UHFFFAOYSA-N	1	1	354.376	2.455	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CCN(CC(F)(F)F)CC1	ZINC000452034518	560346995	/nfs/dbraw/zinc/34/69/95/560346995.db2.gz	STGWWMLVYSJWPN-UHFFFAOYSA-N	1	1	354.376	2.455	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C1CCN(CCC(F)(F)F)CC1	ZINC000452120564	560352355	/nfs/dbraw/zinc/35/23/55/560352355.db2.gz	RRDIUZCOXDIVAO-MRXNPFEDSA-N	1	1	362.440	2.389	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1	ZINC000452120564	560352356	/nfs/dbraw/zinc/35/23/56/560352356.db2.gz	RRDIUZCOXDIVAO-MRXNPFEDSA-N	1	1	362.440	2.389	20	30		FEEDMO
O=C(C[N@@H+]1CC[C@H](CCCO)C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000452122525	560352614	/nfs/dbraw/zinc/35/26/14/560352614.db2.gz	HLUFQFCIMIDASN-INIZCTEOSA-N	1	1	368.399	2.268	20	30		FEEDMO
C=CCn1c(N(C)CC[N@@H+]2CCOC(C)(C)C2)nnc1[C@@]1(C)CCCO1	ZINC000453446000	560386788	/nfs/dbraw/zinc/38/67/88/560386788.db2.gz	VMNJSGTVFNSZBI-LJQANCHMSA-N	1	1	363.506	2.037	20	30		FEEDMO
C=CCn1c(N(C)CC[N@H+]2CCOC(C)(C)C2)nnc1[C@@]1(C)CCCO1	ZINC000453446000	560386789	/nfs/dbraw/zinc/38/67/89/560386789.db2.gz	VMNJSGTVFNSZBI-LJQANCHMSA-N	1	1	363.506	2.037	20	30		FEEDMO
C=CCn1c(N(C)CC[N@@H+]2CCOC(C)(C)C2)nnc1[C@]1(C)CCCO1	ZINC000453445999	560386801	/nfs/dbraw/zinc/38/68/01/560386801.db2.gz	VMNJSGTVFNSZBI-IBGZPJMESA-N	1	1	363.506	2.037	20	30		FEEDMO
C=CCn1c(N(C)CC[N@H+]2CCOC(C)(C)C2)nnc1[C@]1(C)CCCO1	ZINC000453445999	560386802	/nfs/dbraw/zinc/38/68/02/560386802.db2.gz	VMNJSGTVFNSZBI-IBGZPJMESA-N	1	1	363.506	2.037	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1	ZINC000453645986	560393006	/nfs/dbraw/zinc/39/30/06/560393006.db2.gz	AUVLBKKTUNMWNV-INIZCTEOSA-N	1	1	364.449	2.442	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453704077	560398136	/nfs/dbraw/zinc/39/81/36/560398136.db2.gz	CZJORMNMOLAVKK-CQSZACIVSA-N	1	1	372.469	2.227	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2	ZINC000454048761	560424818	/nfs/dbraw/zinc/42/48/18/560424818.db2.gz	BHKRJFHOGJTCOL-NVXWUHKLSA-N	1	1	373.497	2.429	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2	ZINC000454048764	560424843	/nfs/dbraw/zinc/42/48/43/560424843.db2.gz	BHKRJFHOGJTCOL-WBVHZDCISA-N	1	1	373.497	2.429	20	30		FEEDMO
CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1	ZINC000454049935	560424945	/nfs/dbraw/zinc/42/49/45/560424945.db2.gz	XEQPFTGGCFCVMJ-OAHLLOKOSA-N	1	1	372.469	2.227	20	30		FEEDMO
C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000454898891	560462661	/nfs/dbraw/zinc/46/26/61/560462661.db2.gz	RZHRPIKKGBQXLG-LLVKDONJSA-N	1	1	356.348	2.107	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000454898891	560462662	/nfs/dbraw/zinc/46/26/62/560462662.db2.gz	RZHRPIKKGBQXLG-LLVKDONJSA-N	1	1	356.348	2.107	20	30		FEEDMO
CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000455705106	560492510	/nfs/dbraw/zinc/49/25/10/560492510.db2.gz	OHYMZNMIZPWRHT-AWEZNQCLSA-N	1	1	350.850	2.326	20	30		FEEDMO
C[C@H](CO)[N@H+]1CCCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000455728359	560493132	/nfs/dbraw/zinc/49/31/32/560493132.db2.gz	HEXDCECGTWSNPZ-CYBMUJFWSA-N	1	1	350.850	2.326	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000455762554	560494187	/nfs/dbraw/zinc/49/41/87/560494187.db2.gz	ZHNJYOBQGVERFH-UHFFFAOYSA-N	1	1	364.881	2.146	20	30		FEEDMO
CC[N@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)NCC(C)(C)CC#N)C1	ZINC000458706731	560642259	/nfs/dbraw/zinc/64/22/59/560642259.db2.gz	ZHLXVWYXZQJSBY-UHFFFAOYSA-N	1	1	366.506	2.420	20	30		FEEDMO
CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)NCC(C)(C)CC#N)C1	ZINC000458706731	560642261	/nfs/dbraw/zinc/64/22/61/560642261.db2.gz	ZHLXVWYXZQJSBY-UHFFFAOYSA-N	1	1	366.506	2.420	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000458708119	560642435	/nfs/dbraw/zinc/64/24/35/560642435.db2.gz	GMKDSZNEVCGKGH-QZTJIDSGSA-N	1	1	363.527	2.230	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000458708119	560642436	/nfs/dbraw/zinc/64/24/36/560642436.db2.gz	GMKDSZNEVCGKGH-QZTJIDSGSA-N	1	1	363.527	2.230	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCC(C)(C)CC#N	ZINC000459237706	560675632	/nfs/dbraw/zinc/67/56/32/560675632.db2.gz	NEHCBTRUDBWWGE-DOTOQJQBSA-N	1	1	360.506	2.384	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000459870862	560715401	/nfs/dbraw/zinc/71/54/01/560715401.db2.gz	RKIZBFQPELBEFQ-DOTOQJQBSA-N	1	1	361.511	2.205	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000459977523	560725621	/nfs/dbraw/zinc/72/56/21/560725621.db2.gz	SGFTVNVWKWEKGL-LJQANCHMSA-N	1	1	370.497	2.095	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1	ZINC000459977523	560725622	/nfs/dbraw/zinc/72/56/22/560725622.db2.gz	SGFTVNVWKWEKGL-LJQANCHMSA-N	1	1	370.497	2.095	20	30		FEEDMO
CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000461546586	560775261	/nfs/dbraw/zinc/77/52/61/560775261.db2.gz	UZCNZOFDGGCBMK-AWEZNQCLSA-N	1	1	354.458	2.176	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1	ZINC000464588011	560845922	/nfs/dbraw/zinc/84/59/22/560845922.db2.gz	PTGNHLMFKWRTAE-VCBZYWHSSA-N	1	1	351.491	2.483	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1	ZINC000464588011	560845923	/nfs/dbraw/zinc/84/59/23/560845923.db2.gz	PTGNHLMFKWRTAE-VCBZYWHSSA-N	1	1	351.491	2.483	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1	ZINC000464799336	560851639	/nfs/dbraw/zinc/85/16/39/560851639.db2.gz	OKQKCPQQFYVKNI-FOIQADDNSA-N	1	1	372.444	2.063	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1	ZINC000464799336	560851641	/nfs/dbraw/zinc/85/16/41/560851641.db2.gz	OKQKCPQQFYVKNI-FOIQADDNSA-N	1	1	372.444	2.063	20	30		FEEDMO
C[NH+](C)CC(=O)Nc1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1	ZINC000465365876	560863986	/nfs/dbraw/zinc/86/39/86/560863986.db2.gz	NLEUUZLMLMSDMB-UHFFFAOYSA-N	1	1	351.410	2.109	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC[N@H+]1C	ZINC000466040751	560879106	/nfs/dbraw/zinc/87/91/06/560879106.db2.gz	VFURQYKZUALQMQ-HOCLYGCPSA-N	1	1	359.449	2.012	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000467022455	560901644	/nfs/dbraw/zinc/90/16/44/560901644.db2.gz	IOSAOSGOWRJFBK-PBHICJAKSA-N	1	1	357.454	2.325	20	30		FEEDMO
C[N@H+](CC[C@@H]1CCCO1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000467129642	560904138	/nfs/dbraw/zinc/90/41/38/560904138.db2.gz	PBTVPIPRSAMENL-KRWDZBQOSA-N	1	1	353.426	2.183	20	30		FEEDMO
C[N@@H+](CC[C@@H]1CCCO1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000467129642	560904139	/nfs/dbraw/zinc/90/41/39/560904139.db2.gz	PBTVPIPRSAMENL-KRWDZBQOSA-N	1	1	353.426	2.183	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)[C@H]1C	ZINC000469999838	560971252	/nfs/dbraw/zinc/97/12/52/560971252.db2.gz	ODWWZLGPGDMKDB-HRCADAONSA-N	1	1	373.453	2.214	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)[C@H]1C	ZINC000469999838	560971253	/nfs/dbraw/zinc/97/12/53/560971253.db2.gz	ODWWZLGPGDMKDB-HRCADAONSA-N	1	1	373.453	2.214	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCSC[C@@H]2CCO)cc1Cl	ZINC000470210936	560976751	/nfs/dbraw/zinc/97/67/51/560976751.db2.gz	XKUGJYGWHJVOHI-AWEZNQCLSA-N	1	1	353.875	2.340	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1	ZINC000470361063	560979231	/nfs/dbraw/zinc/97/92/31/560979231.db2.gz	IQVZMVTZKGMGTR-IEBWSBKVSA-N	1	1	370.497	2.279	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1	ZINC000470361063	560979232	/nfs/dbraw/zinc/97/92/32/560979232.db2.gz	IQVZMVTZKGMGTR-IEBWSBKVSA-N	1	1	370.497	2.279	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccccc1C#Cc1ccccc1	ZINC000472875192	561037027	/nfs/dbraw/zinc/03/70/27/561037027.db2.gz	BBCPIVCAJUFGAR-FQEVSTJZSA-N	1	1	362.477	2.454	20	30		FEEDMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1)C1CC1	ZINC000473357165	561048364	/nfs/dbraw/zinc/04/83/64/561048364.db2.gz	ULILPPXEMLGPLB-UHFFFAOYSA-N	1	1	361.445	2.235	20	30		FEEDMO
Cn1ncc(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C#N	ZINC000475607432	561100860	/nfs/dbraw/zinc/10/08/60/561100860.db2.gz	VPOMVYIOTFNRFH-UHFFFAOYSA-N	1	1	351.454	2.276	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cnn(C)c1C#N	ZINC000476314982	561116301	/nfs/dbraw/zinc/11/63/01/561116301.db2.gz	ONYDIVIUFHEXIF-QWHZDKJVSA-N	1	1	351.454	2.178	20	30		FEEDMO
CCC[C@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)CC[N@@H+]1CCOC	ZINC000476502030	561121032	/nfs/dbraw/zinc/12/10/32/561121032.db2.gz	CFLHCOIFZVQTHB-KRWDZBQOSA-N	1	1	371.547	2.223	20	30		FEEDMO
CCC[C@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)CC[N@H+]1CCOC	ZINC000476502030	561121033	/nfs/dbraw/zinc/12/10/33/561121033.db2.gz	CFLHCOIFZVQTHB-KRWDZBQOSA-N	1	1	371.547	2.223	20	30		FEEDMO
N#Cc1ccc(Cc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cn1	ZINC000528072599	562313354	/nfs/dbraw/zinc/31/33/54/562313354.db2.gz	YRYHQWVYRQSYHL-UHFFFAOYSA-N	1	1	361.405	2.426	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)CN1CC[NH+](Cc2cccs2)CC1	ZINC000528350646	562324089	/nfs/dbraw/zinc/32/40/89/562324089.db2.gz	RHQHTGUVFORXOV-QGZVFWFLSA-N	1	1	357.479	2.177	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@]2(CCCOC2)C1	ZINC000528400452	562327036	/nfs/dbraw/zinc/32/70/36/562327036.db2.gz	OPORSRVWCZLBEE-NRFANRHFSA-N	1	1	352.434	2.179	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000528424277	562328610	/nfs/dbraw/zinc/32/86/10/562328610.db2.gz	LMOZKXPQZOUHCH-SXLOBPIMSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000528424277	562328611	/nfs/dbraw/zinc/32/86/11/562328611.db2.gz	LMOZKXPQZOUHCH-SXLOBPIMSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1	ZINC000528424277	562328612	/nfs/dbraw/zinc/32/86/12/562328612.db2.gz	LMOZKXPQZOUHCH-SXLOBPIMSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1	ZINC000528424277	562328613	/nfs/dbraw/zinc/32/86/13/562328613.db2.gz	LMOZKXPQZOUHCH-SXLOBPIMSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000528424277	562328614	/nfs/dbraw/zinc/32/86/14/562328614.db2.gz	LMOZKXPQZOUHCH-SXLOBPIMSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000528424277	562328615	/nfs/dbraw/zinc/32/86/15/562328615.db2.gz	LMOZKXPQZOUHCH-SXLOBPIMSA-N	1	1	355.482	2.247	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@H](C2CCOCC2)C1	ZINC000528429359	562328980	/nfs/dbraw/zinc/32/89/80/562328980.db2.gz	VAZIWAWPIFJJOB-QGZVFWFLSA-N	1	1	352.434	2.035	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2	ZINC000528503208	562332921	/nfs/dbraw/zinc/33/29/21/562332921.db2.gz	JFDVGCDWGGKARD-MRXNPFEDSA-N	1	1	352.390	2.171	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC2(C1)Oc1ccccc1O2	ZINC000528503208	562332922	/nfs/dbraw/zinc/33/29/22/562332922.db2.gz	JFDVGCDWGGKARD-MRXNPFEDSA-N	1	1	352.390	2.171	20	30		FEEDMO
C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000528528372	562334300	/nfs/dbraw/zinc/33/43/00/562334300.db2.gz	BZFQPSPAQFVICC-DNVCBOLYSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000528528372	562334301	/nfs/dbraw/zinc/33/43/01/562334301.db2.gz	BZFQPSPAQFVICC-DNVCBOLYSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O	ZINC000528782620	562347375	/nfs/dbraw/zinc/34/73/75/562347375.db2.gz	FAAKYAWMOBTQGK-PWGYJQOZSA-N	1	1	365.543	2.291	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)C2=O)cc1	ZINC000528785657	562347557	/nfs/dbraw/zinc/34/75/57/562347557.db2.gz	SZQDDFRFEKWSQP-HCSKMRSTSA-N	1	1	357.479	2.039	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)C2=O)cc1	ZINC000528785657	562347558	/nfs/dbraw/zinc/34/75/58/562347558.db2.gz	SZQDDFRFEKWSQP-HCSKMRSTSA-N	1	1	357.479	2.039	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)Cn2cc[nH+]c2C2CC2)CC1	ZINC000530129683	562399006	/nfs/dbraw/zinc/39/90/06/562399006.db2.gz	OHPWKDODKGVTMA-OAHLLOKOSA-N	1	1	355.467	2.231	20	30		FEEDMO
CN1CC[N@@H+](C)Cc2ccc(NC[C@H](O)COc3ccccc3C#N)cc21	ZINC000530237712	562403507	/nfs/dbraw/zinc/40/35/07/562403507.db2.gz	JFNYTBIJWILIBI-IBGZPJMESA-N	1	1	366.465	2.292	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[N@H+](C(C)(C)C)CC3)CC2)o1	ZINC000530278535	562405157	/nfs/dbraw/zinc/40/51/57/562405157.db2.gz	IBMXIIYDQGHCHV-UHFFFAOYSA-N	1	1	373.501	2.404	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C1(c2cccc(C#N)c2)CC1	ZINC000532948508	562493587	/nfs/dbraw/zinc/49/35/87/562493587.db2.gz	HRHIEPLGJYOYRE-UHFFFAOYSA-N	1	1	354.498	2.074	20	30		FEEDMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C1(c2cccc(C#N)c2)CC1	ZINC000532948508	562493588	/nfs/dbraw/zinc/49/35/88/562493588.db2.gz	HRHIEPLGJYOYRE-UHFFFAOYSA-N	1	1	354.498	2.074	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CC[NH+](CCc2nnnn2-c2ccccc2)CC1	ZINC000533070138	562497323	/nfs/dbraw/zinc/49/73/23/562497323.db2.gz	TUIBHINIXBMXFG-HXUWFJFHSA-N	1	1	373.464	2.087	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000533553192	562512932	/nfs/dbraw/zinc/51/29/32/562512932.db2.gz	OIAOTCAPBIAFSL-CQSZACIVSA-N	1	1	351.447	2.050	20	30		FEEDMO
CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1	ZINC000535167816	562552417	/nfs/dbraw/zinc/55/24/17/562552417.db2.gz	NERMVVQTGOPINV-HNNXBMFYSA-N	1	1	357.454	2.473	20	30		FEEDMO
CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1	ZINC000535167816	562552418	/nfs/dbraw/zinc/55/24/18/562552418.db2.gz	NERMVVQTGOPINV-HNNXBMFYSA-N	1	1	357.454	2.473	20	30		FEEDMO
CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cn(C)nn1	ZINC000541059152	562601824	/nfs/dbraw/zinc/60/18/24/562601824.db2.gz	IDAMQZARPDBLIW-UHFFFAOYSA-N	1	1	372.498	2.478	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cn(C)nn1	ZINC000541059152	562601825	/nfs/dbraw/zinc/60/18/25/562601825.db2.gz	IDAMQZARPDBLIW-UHFFFAOYSA-N	1	1	372.498	2.478	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)cc1	ZINC000541315273	562608795	/nfs/dbraw/zinc/60/87/95/562608795.db2.gz	AMTZXAIDCOWHFR-ZYSHUDEJSA-N	1	1	357.454	2.035	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000609470571	567821919	/nfs/dbraw/zinc/82/19/19/567821919.db2.gz	BPVFMFZLHWTPIT-IRXDYDNUSA-N	1	1	373.476	2.307	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCC[C@H]1C#N	ZINC000601853437	567861161	/nfs/dbraw/zinc/86/11/61/567861161.db2.gz	AMMSOGKHZYWYCO-HZMVEIRTSA-N	1	1	356.474	2.128	20	30		FEEDMO
N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)C1	ZINC000602166861	567946580	/nfs/dbraw/zinc/94/65/80/567946580.db2.gz	LDUOKQHKGYSDMO-JTJHWIPRSA-N	1	1	353.466	2.334	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNC(=O)N2CCc3c(CC#N)cccc3C2)CCCO1	ZINC000602303592	567965100	/nfs/dbraw/zinc/96/51/00/567965100.db2.gz	WBHMWABLERBZEP-KRWDZBQOSA-N	1	1	370.497	2.321	20	30		FEEDMO
C[C@@H]1CN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H](C)N1CC#N	ZINC000602852597	568001539	/nfs/dbraw/zinc/00/15/39/568001539.db2.gz	DCDZXKHTAJWQQI-SVFBPWRDSA-N	1	1	356.514	2.196	20	30		FEEDMO
N#CC1(CCC[N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)CCOCC1	ZINC000602892485	568007598	/nfs/dbraw/zinc/00/75/98/568007598.db2.gz	RVVFTZSGTLIBST-GOSISDBHSA-N	1	1	367.559	2.227	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)C1CC1	ZINC000602926727	568018816	/nfs/dbraw/zinc/01/88/16/568018816.db2.gz	WHDIEVUKMDJEIE-DOTOQJQBSA-N	1	1	353.825	2.301	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)CCC1	ZINC000602810750	568041999	/nfs/dbraw/zinc/04/19/99/568041999.db2.gz	IOPJSMNROREYNO-MRXNPFEDSA-N	1	1	351.454	2.311	20	30		FEEDMO
N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1	ZINC000602821608	568045205	/nfs/dbraw/zinc/04/52/05/568045205.db2.gz	PFFAKJNWZSSLRH-SJORKVTESA-N	1	1	356.861	2.301	20	30		FEEDMO
C[C@H]1CN(Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1	ZINC000737196454	598899334	/nfs/dbraw/zinc/89/93/34/598899334.db2.gz	JWRLQBSCXNNSID-INIZCTEOSA-N	1	1	373.464	2.445	20	30		FEEDMO
C#CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)C1CCCCC1	ZINC000819697320	607363766	/nfs/dbraw/zinc/36/37/66/607363766.db2.gz	AKFVOHPSCIUGQV-UHFFFAOYSA-N	1	1	356.430	2.283	20	30		FEEDMO
C#CC[N@H+](CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)C1CCCCC1	ZINC000819697320	607363768	/nfs/dbraw/zinc/36/37/68/607363768.db2.gz	AKFVOHPSCIUGQV-UHFFFAOYSA-N	1	1	356.430	2.283	20	30		FEEDMO
C[NH+](C)Cc1cnc(CN2CCN(Cc3ccccc3)[C@@H](C#N)C2)s1	ZINC000809537789	674496223	/nfs/dbraw/zinc/49/62/23/674496223.db2.gz	RSOUGOSQQHPOCU-KRWDZBQOSA-N	1	1	355.511	2.415	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccc(C#N)cc1	ZINC000822000393	606178286	/nfs/dbraw/zinc/17/82/86/606178286.db2.gz	NKDPCQVJQNOJKW-MRXNPFEDSA-N	1	1	373.464	2.445	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F	ZINC000810573470	674551002	/nfs/dbraw/zinc/55/10/02/674551002.db2.gz	RDMSRXXMCRHBCE-NWDGAFQWSA-N	1	1	364.364	2.083	20	30		FEEDMO
C=CC[N@H+](Cc1ccc2c(c1)nnn2C)Cc1cccc(-c2nn[nH]n2)c1	ZINC000819745630	607173367	/nfs/dbraw/zinc/17/33/67/607173367.db2.gz	MWAAGTZAIQKPFZ-UHFFFAOYSA-N	1	1	360.425	2.337	20	30		FEEDMO
C[C@@H](C#N)C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CC1	ZINC000824035464	607831510	/nfs/dbraw/zinc/83/15/10/607831510.db2.gz	YLJQRVBZKWVBIS-NSHDSACASA-N	1	1	373.848	2.473	20	30		FEEDMO
C[C@@H](C#N)C[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CC1	ZINC000824035464	607831511	/nfs/dbraw/zinc/83/15/11/607831511.db2.gz	YLJQRVBZKWVBIS-NSHDSACASA-N	1	1	373.848	2.473	20	30		FEEDMO
C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CC(C(=O)OC)=C(C)O1	ZINC000823914651	608003529	/nfs/dbraw/zinc/00/35/29/608003529.db2.gz	KRHXYCBURSDAIT-INIZCTEOSA-N	1	1	369.425	2.091	20	30		FEEDMO
C=CCSCCNC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000560671023	674608386	/nfs/dbraw/zinc/60/83/86/674608386.db2.gz	CYZULRCVEKEKOM-UHFFFAOYSA-N	1	1	367.559	2.136	20	30		FEEDMO
C#C[C@H](NCc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1	ZINC000811516333	674610789	/nfs/dbraw/zinc/61/07/89/674610789.db2.gz	LPMZDDBVBOAQGI-SFHVURJKSA-N	1	1	355.873	2.346	20	30		FEEDMO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(Cl)c(OC)cc1Cl	ZINC000815082688	674914120	/nfs/dbraw/zinc/91/41/20/674914120.db2.gz	DIIKTMCSBTWJOC-UHFFFAOYSA-N	1	1	365.282	2.235	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(Cc2ccc(Br)cc2C#N)[C@H](C)C1	ZINC000565098183	675094450	/nfs/dbraw/zinc/09/44/50/675094450.db2.gz	JEWCAWRZGAATRR-CHWSQXEVSA-N	1	1	352.276	2.208	20	30		FEEDMO
N#CC1(CNC(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000565458312	675123242	/nfs/dbraw/zinc/12/32/42/675123242.db2.gz	BAMUNTVBLUEMBR-UHFFFAOYSA-N	1	1	361.877	2.065	20	30		FEEDMO
CC(C)Oc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cn1	ZINC000572149021	670966949	/nfs/dbraw/zinc/96/69/49/670966949.db2.gz	NSHRDLSYYKWVAG-UHFFFAOYSA-N	1	1	359.451	2.304	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)Cc1ccc(CC#N)cc1)Cc1ccccc1	ZINC000572837817	671050180	/nfs/dbraw/zinc/05/01/80/671050180.db2.gz	CTUNPXTUHPUJKW-UHFFFAOYSA-N	1	1	357.479	2.304	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)Cc1ccc(CC#N)cc1)Cc1ccccc1	ZINC000572837817	671050188	/nfs/dbraw/zinc/05/01/88/671050188.db2.gz	CTUNPXTUHPUJKW-UHFFFAOYSA-N	1	1	357.479	2.304	20	30		FEEDMO
N#Cc1csc(CNc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)n1	ZINC000573610439	671143300	/nfs/dbraw/zinc/14/33/00/671143300.db2.gz	NJVKHKVUAWBRDG-AWEZNQCLSA-N	1	1	355.467	2.324	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(c2cc(Br)c(C#N)cc2F)[C@H](C)C1	ZINC000576621214	671382153	/nfs/dbraw/zinc/38/21/53/671382153.db2.gz	YOHKVFBOQGASKW-GHMZBOCLSA-N	1	1	356.239	2.351	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCCC)cc1	ZINC000576630415	671382899	/nfs/dbraw/zinc/38/28/99/671382899.db2.gz	SYGKAFAWUXHPIA-HNNXBMFYSA-N	1	1	367.515	2.001	20	30		FEEDMO
N#Cc1ccc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)nc1	ZINC000576759500	671392321	/nfs/dbraw/zinc/39/23/21/671392321.db2.gz	SXHFOCDZQUADNO-KRWDZBQOSA-N	1	1	352.463	2.301	20	30		FEEDMO
N#Cc1ccc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)nc1	ZINC000576759500	671392323	/nfs/dbraw/zinc/39/23/23/671392323.db2.gz	SXHFOCDZQUADNO-KRWDZBQOSA-N	1	1	352.463	2.301	20	30		FEEDMO
C[N@@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)C1	ZINC000579615602	671748748	/nfs/dbraw/zinc/74/87/48/671748748.db2.gz	NHNKYHFGFQCEDG-GOSISDBHSA-N	1	1	361.511	2.259	20	30		FEEDMO
N#Cc1ncc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1Cl	ZINC000581174960	671870291	/nfs/dbraw/zinc/87/02/91/671870291.db2.gz	MIUAXXPRZHRWRF-GDBMZVCRSA-N	1	1	363.849	2.372	20	30		FEEDMO
C[N@@H+]1CCO[C@@H](CSCC(=O)Nc2ccccc2SCC#N)C1	ZINC000582300408	671987457	/nfs/dbraw/zinc/98/74/57/671987457.db2.gz	DJBJDKGIAKLDLI-CYBMUJFWSA-N	1	1	351.497	2.305	20	30		FEEDMO
C[N@H+]1CCO[C@@H](CSCC(=O)Nc2ccccc2SCC#N)C1	ZINC000582300408	671987463	/nfs/dbraw/zinc/98/74/63/671987463.db2.gz	DJBJDKGIAKLDLI-CYBMUJFWSA-N	1	1	351.497	2.305	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)OC(C)(C)C	ZINC000130022610	672069442	/nfs/dbraw/zinc/06/94/42/672069442.db2.gz	FKGMFJQOURLLSV-KBXCAEBGSA-N	1	1	354.495	2.228	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)OC(C)(C)C	ZINC000130022610	672069445	/nfs/dbraw/zinc/06/94/45/672069445.db2.gz	FKGMFJQOURLLSV-KBXCAEBGSA-N	1	1	354.495	2.228	20	30		FEEDMO
C#CC[N@@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C1CCCC1	ZINC000152334007	672179629	/nfs/dbraw/zinc/17/96/29/672179629.db2.gz	YVEFIVAMDYDDMA-UHFFFAOYSA-N	1	1	358.833	2.132	20	30		FEEDMO
C#CC[N@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C1CCCC1	ZINC000152334007	672179632	/nfs/dbraw/zinc/17/96/32/672179632.db2.gz	YVEFIVAMDYDDMA-UHFFFAOYSA-N	1	1	358.833	2.132	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[N@@H+](CC)CCOc1ccc(Br)cc1	ZINC000159638809	672283917	/nfs/dbraw/zinc/28/39/17/672283917.db2.gz	LXNCNPPPNHBAHQ-ZDUSSCGKSA-N	1	1	353.260	2.288	20	30		FEEDMO
CN1CCN(c2cccc(Cl)c2C[NH2+]C2CCN(CC#N)CC2)CC1	ZINC000611292728	676030484	/nfs/dbraw/zinc/03/04/84/676030484.db2.gz	NLNLMPIFSIXVLP-UHFFFAOYSA-N	1	1	361.921	2.169	20	30		FEEDMO
COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(Br)cc2C#N)C1	ZINC000590633203	672597919	/nfs/dbraw/zinc/59/79/19/672597919.db2.gz	ARLUOJGUAGXNFR-AWEZNQCLSA-N	1	1	366.259	2.161	20	30		FEEDMO
CSc1ccc(OC[C@@H](O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1	ZINC000591020220	672642037	/nfs/dbraw/zinc/64/20/37/672642037.db2.gz	UVBYLGULBNRAEG-QFBILLFUSA-N	1	1	363.527	2.314	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)Cc1ccc(Br)cc1C#N	ZINC000593613527	672958249	/nfs/dbraw/zinc/95/82/49/672958249.db2.gz	LKVGYVNNASDACU-UHFFFAOYSA-N	1	1	350.260	2.416	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1	ZINC000281521547	672968314	/nfs/dbraw/zinc/96/83/14/672968314.db2.gz	VNCWACUNOLMHFQ-LZWOXQAQSA-N	1	1	363.483	2.082	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1	ZINC000281521547	672968315	/nfs/dbraw/zinc/96/83/15/672968315.db2.gz	VNCWACUNOLMHFQ-LZWOXQAQSA-N	1	1	363.483	2.082	20	30		FEEDMO
Cc1ccc(CNS(=O)(=O)CC2(C#N)CCCC2)c(N2CCCC2)[nH+]1	ZINC000612682217	676093352	/nfs/dbraw/zinc/09/33/52/676093352.db2.gz	LSLLKSXNNFWTHB-UHFFFAOYSA-N	1	1	362.499	2.494	20	30		FEEDMO
CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCCCC1	ZINC000329244376	673073963	/nfs/dbraw/zinc/07/39/63/673073963.db2.gz	UKZDIGZDQUTJQY-MRXNPFEDSA-N	1	1	351.491	2.379	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)N1CCC2(C1)CCOCC2)[NH+]1CCOCC1	ZINC000329806013	673083683	/nfs/dbraw/zinc/08/36/83/673083683.db2.gz	KZGCZDKJZNURDX-QGZVFWFLSA-N	1	1	353.507	2.150	20	30		FEEDMO
CCc1nc(C[NH+]2CCC(CNC(=O)C3(O)CCOCC3)CC2)cs1	ZINC000330018729	673085078	/nfs/dbraw/zinc/08/50/78/673085078.db2.gz	TZYLKEIWFIQFEQ-UHFFFAOYSA-N	1	1	367.515	2.416	20	30		FEEDMO
CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1	ZINC000330246524	673087961	/nfs/dbraw/zinc/08/79/61/673087961.db2.gz	YGWPGZHITKPLFJ-MRXNPFEDSA-N	1	1	357.520	2.020	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000594788104	673142552	/nfs/dbraw/zinc/14/25/52/673142552.db2.gz	DVYSESRJANRDNO-ZDUSSCGKSA-N	1	1	353.463	2.237	20	30		FEEDMO
C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(OCC#N)cc1	ZINC000729267025	673230725	/nfs/dbraw/zinc/23/07/25/673230725.db2.gz	HWALRIMPKYOPBC-CQSZACIVSA-N	1	1	359.451	2.429	20	30		FEEDMO
N#CCc1ccc(CS(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1	ZINC000595410478	673245635	/nfs/dbraw/zinc/24/56/35/673245635.db2.gz	MMYVYHSALWFABU-IBGZPJMESA-N	1	1	361.511	2.294	20	30		FEEDMO
N#Cc1c(Br)cccc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1	ZINC000596541487	673392723	/nfs/dbraw/zinc/39/27/23/673392723.db2.gz	YECSKFNAXNWWDK-CYBMUJFWSA-N	1	1	350.260	2.356	20	30		FEEDMO
C=CC[N@@H+](Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)C1CC1	ZINC000537854770	673411701	/nfs/dbraw/zinc/41/17/01/673411701.db2.gz	IZMXBRTVZPRHRL-UHFFFAOYSA-N	1	1	362.499	2.457	20	30		FEEDMO
C=CC[N@H+](Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)C1CC1	ZINC000537854770	673411704	/nfs/dbraw/zinc/41/17/04/673411704.db2.gz	IZMXBRTVZPRHRL-UHFFFAOYSA-N	1	1	362.499	2.457	20	30		FEEDMO
N#CC1(c2ccc(C[N@H+]3CCCN(S(=O)(=O)C4CC4)CC3)cc2)CC1	ZINC000597120112	673449594	/nfs/dbraw/zinc/44/95/94/673449594.db2.gz	CZUQXNNJZKLOGV-UHFFFAOYSA-N	1	1	359.495	2.242	20	30		FEEDMO
N#CC1(c2ccc(C[N@@H+]3CCCN(S(=O)(=O)C4CC4)CC3)cc2)CC1	ZINC000597120112	673449595	/nfs/dbraw/zinc/44/95/95/673449595.db2.gz	CZUQXNNJZKLOGV-UHFFFAOYSA-N	1	1	359.495	2.242	20	30		FEEDMO
C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cscc2C#N)C1	ZINC000598502897	673576486	/nfs/dbraw/zinc/57/64/86/673576486.db2.gz	UFYWEIRXSQQEPR-QGZVFWFLSA-N	1	1	354.479	2.166	20	30		FEEDMO
C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cscc2C#N)C1	ZINC000598502897	673576488	/nfs/dbraw/zinc/57/64/88/673576488.db2.gz	UFYWEIRXSQQEPR-QGZVFWFLSA-N	1	1	354.479	2.166	20	30		FEEDMO
C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(C#N)cs2)C1	ZINC000598508199	673576939	/nfs/dbraw/zinc/57/69/39/673576939.db2.gz	ZLUZLTBGQNWUFZ-KRWDZBQOSA-N	1	1	354.479	2.166	20	30		FEEDMO
C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cc(C#N)cs2)C1	ZINC000598508199	673576943	/nfs/dbraw/zinc/57/69/43/673576943.db2.gz	ZLUZLTBGQNWUFZ-KRWDZBQOSA-N	1	1	354.479	2.166	20	30		FEEDMO
Cc1nc2sccn2c1C[N@H+](C)C[C@H](O)COc1ccccc1C#N	ZINC000599340596	673661524	/nfs/dbraw/zinc/66/15/24/673661524.db2.gz	GNKAJUIKJAMAAU-HNNXBMFYSA-N	1	1	356.451	2.448	20	30		FEEDMO
Cc1nc2sccn2c1C[N@@H+](C)C[C@H](O)COc1ccccc1C#N	ZINC000599340596	673661525	/nfs/dbraw/zinc/66/15/25/673661525.db2.gz	GNKAJUIKJAMAAU-HNNXBMFYSA-N	1	1	356.451	2.448	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)CCOCC1	ZINC000599392947	673668645	/nfs/dbraw/zinc/66/86/45/673668645.db2.gz	CGMLUQWZGJAONH-INDMIFKZSA-N	1	1	350.503	2.463	20	30		FEEDMO
C[C@@H]1CC(N=Nc2ncnc3c2c(Br)nn3C)CC[N@H+]1C	ZINC000741465221	673688012	/nfs/dbraw/zinc/68/80/12/673688012.db2.gz	YVOPEEAPHQIWNF-MRVPVSSYSA-N	1	1	352.240	2.008	20	30		FEEDMO
C=CCNC(=O)NC(=O)CN[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1	ZINC000599628956	673699496	/nfs/dbraw/zinc/69/94/96/673699496.db2.gz	VZLOGFCZCYEVSR-AWEZNQCLSA-N	1	1	373.284	2.198	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)CC1	ZINC000614600341	676182915	/nfs/dbraw/zinc/18/29/15/676182915.db2.gz	FXZBJXRFDSMFJC-YESZJQIVSA-N	1	1	358.511	2.331	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C	ZINC000744681810	673806830	/nfs/dbraw/zinc/80/68/30/673806830.db2.gz	RYDMEHAQQVXYQI-HNNXBMFYSA-N	1	1	351.491	2.284	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C	ZINC000744681810	673806832	/nfs/dbraw/zinc/80/68/32/673806832.db2.gz	RYDMEHAQQVXYQI-HNNXBMFYSA-N	1	1	351.491	2.284	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1C	ZINC000601355529	673847155	/nfs/dbraw/zinc/84/71/55/673847155.db2.gz	TXCIVFPXWPNVAT-CZUORRHYSA-N	1	1	353.463	2.499	20	30		FEEDMO
CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000601445988	673863861	/nfs/dbraw/zinc/86/38/61/673863861.db2.gz	PHXAKYAOIVZJHV-HNNXBMFYSA-N	1	1	373.400	2.292	20	30		FEEDMO
COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2SCC#N)CC1	ZINC000746618993	673886831	/nfs/dbraw/zinc/88/68/31/673886831.db2.gz	PIKOPSCKOGIJGE-CQSZACIVSA-N	1	1	361.467	2.012	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](n2ccnn2)CC1	ZINC000602888427	673912567	/nfs/dbraw/zinc/91/25/67/673912567.db2.gz	MSKHFGHBQCMEFT-OAHLLOKOSA-N	1	1	358.833	2.469	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](n2ccnn2)CC1	ZINC000602888427	673912570	/nfs/dbraw/zinc/91/25/70/673912570.db2.gz	MSKHFGHBQCMEFT-OAHLLOKOSA-N	1	1	358.833	2.469	20	30		FEEDMO
CO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@](C)(CO)C1	ZINC000602964736	673914753	/nfs/dbraw/zinc/91/47/53/673914753.db2.gz	SXUOAMDDXYDTOK-WMLDXEAASA-N	1	1	351.834	2.012	20	30		FEEDMO
N#Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)C2)ncc1Br	ZINC000603388177	673929055	/nfs/dbraw/zinc/92/90/55/673929055.db2.gz	VMZRLDXEOVDRFO-ZDUSSCGKSA-N	1	1	351.248	2.017	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C	ZINC000818615286	675228931	/nfs/dbraw/zinc/22/89/31/675228931.db2.gz	GRGMYDDUUFRWBT-OAHLLOKOSA-N	1	1	369.918	2.227	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCn1cc(Br)cn1	ZINC000567022074	675260731	/nfs/dbraw/zinc/26/07/31/675260731.db2.gz	NYQLFORVWAXOLL-IUODEOHRSA-N	1	1	370.295	2.020	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCn1cc(Br)cn1	ZINC000567022074	675260732	/nfs/dbraw/zinc/26/07/32/675260732.db2.gz	NYQLFORVWAXOLL-IUODEOHRSA-N	1	1	370.295	2.020	20	30		FEEDMO
N#CCNC(=O)C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1	ZINC000567435976	675293034	/nfs/dbraw/zinc/29/30/34/675293034.db2.gz	FRKQMQDWYJGADG-UHFFFAOYSA-N	1	1	369.252	2.284	20	30		FEEDMO
C#C[C@H](NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)c1ccc(Cl)cc1F	ZINC000820751302	675385226	/nfs/dbraw/zinc/38/52/26/675385226.db2.gz	WJYLHOAEHYYGEI-INIZCTEOSA-N	1	1	367.852	2.252	20	30		FEEDMO
Cn1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)n1	ZINC000822293271	675476198	/nfs/dbraw/zinc/47/61/98/675476198.db2.gz	RNDLHJHKWMAIAP-UHFFFAOYSA-N	1	1	357.845	2.293	20	30		FEEDMO
Cn1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)n1	ZINC000822293271	675476200	/nfs/dbraw/zinc/47/62/00/675476200.db2.gz	RNDLHJHKWMAIAP-UHFFFAOYSA-N	1	1	357.845	2.293	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@@H](C)N(CCC)C(=O)OC(C)(C)C)CC1	ZINC000822934778	675517776	/nfs/dbraw/zinc/51/77/76/675517776.db2.gz	IHTBFJDFWWOIBV-MRXNPFEDSA-N	1	1	351.491	2.190	20	30		FEEDMO
C#CCN(CC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)C(=O)OC(C)(C)C	ZINC000824627167	675613993	/nfs/dbraw/zinc/61/39/93/675613993.db2.gz	IONVPFVZJGQFFW-MRXNPFEDSA-N	1	1	351.491	2.093	20	30		FEEDMO
N#C[C@@]1(F)CCN(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1	ZINC000617529115	676290857	/nfs/dbraw/zinc/29/08/57/676290857.db2.gz	WKAHVWGRPCHSIQ-WMZOPIPTSA-N	1	1	362.474	2.251	20	30		FEEDMO
N#C[C@@]1(F)CCN(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1	ZINC000617529115	676290859	/nfs/dbraw/zinc/29/08/59/676290859.db2.gz	WKAHVWGRPCHSIQ-WMZOPIPTSA-N	1	1	362.474	2.251	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1ccc(F)cc1	ZINC000619477793	676379377	/nfs/dbraw/zinc/37/93/77/676379377.db2.gz	PGPAYUVNQJZYCX-GOSISDBHSA-N	1	1	361.442	2.473	20	30		FEEDMO
C[C@H](C[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O)c1nccs1	ZINC000625313561	676638761	/nfs/dbraw/zinc/63/87/61/676638761.db2.gz	MHZVLLCXSVLXGP-CQSZACIVSA-N	1	1	353.447	2.478	20	30		FEEDMO
C=CCOc1c(Cl)cc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)cc1OC	ZINC000628325530	676798139	/nfs/dbraw/zinc/79/81/39/676798139.db2.gz	QQVNBOIRYBMLRU-OAHLLOKOSA-N	1	1	352.862	2.164	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccccc1NCCc1cn2c([nH+]1)CCCC2	ZINC000641281222	677199055	/nfs/dbraw/zinc/19/90/55/677199055.db2.gz	OAGBZGTYFZDBKG-UHFFFAOYSA-N	1	1	360.483	2.338	20	30		FEEDMO
C=CCn1cc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)nn1	ZINC000644675536	677247742	/nfs/dbraw/zinc/24/77/42/677247742.db2.gz	ULVWVZZMJAQRST-UHFFFAOYSA-N	1	1	364.247	2.345	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1c(Br)nc2n1CCCC2	ZINC000838795058	680719984	/nfs/dbraw/zinc/71/99/84/680719984.db2.gz	ASACEQOBCBFVHT-LBPRGKRZSA-N	1	1	366.259	2.236	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1c(Br)nc2n1CCCC2	ZINC000838795058	680719985	/nfs/dbraw/zinc/71/99/85/680719985.db2.gz	ASACEQOBCBFVHT-LBPRGKRZSA-N	1	1	366.259	2.236	20	30		FEEDMO
C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1nnnn1C1CC1	ZINC000839577352	680763307	/nfs/dbraw/zinc/76/33/07/680763307.db2.gz	DXPHIOWZRAADSR-SNVBAGLBSA-N	1	1	359.821	2.212	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000839591519	680764397	/nfs/dbraw/zinc/76/43/97/680764397.db2.gz	JPMVTPKCPIFABZ-HZPDHXFCSA-N	1	1	351.491	2.352	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCSC[C@@H]1C	ZINC000669335474	679229882	/nfs/dbraw/zinc/22/98/82/679229882.db2.gz	MOARVOLXHHHRDU-XHSDSOJGSA-N	1	1	363.531	2.332	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[N@H+](CC)[C@@H](C)C1	ZINC000670230171	679276718	/nfs/dbraw/zinc/27/67/18/679276718.db2.gz	LSTLNWWDRFHXOR-HOTGVXAUSA-N	1	1	351.495	2.109	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC	ZINC000670608453	679290812	/nfs/dbraw/zinc/29/08/12/679290812.db2.gz	BKVUBAFAOCVOQU-INIZCTEOSA-N	1	1	351.878	2.484	20	30		FEEDMO
FC(F)O[C@@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](OC(F)F)C2)C1	ZINC000671243044	679318443	/nfs/dbraw/zinc/31/84/43/679318443.db2.gz	LKGOOZOKCRNQSM-OKILXGFUSA-N	1	1	352.372	2.397	20	30		FEEDMO
FC(F)O[C@@H]1CCCN(CC#CC[N@H+]2CCC[C@H](OC(F)F)C2)C1	ZINC000671243044	679318445	/nfs/dbraw/zinc/31/84/45/679318445.db2.gz	LKGOOZOKCRNQSM-OKILXGFUSA-N	1	1	352.372	2.397	20	30		FEEDMO
FC(F)O[C@@H]1CCC[N@@H+](CC#CCN2CCC[C@H](OC(F)F)C2)C1	ZINC000671243044	679318447	/nfs/dbraw/zinc/31/84/47/679318447.db2.gz	LKGOOZOKCRNQSM-OKILXGFUSA-N	1	1	352.372	2.397	20	30		FEEDMO
FC(F)O[C@@H]1CCC[N@H+](CC#CCN2CCC[C@H](OC(F)F)C2)C1	ZINC000671243044	679318449	/nfs/dbraw/zinc/31/84/49/679318449.db2.gz	LKGOOZOKCRNQSM-OKILXGFUSA-N	1	1	352.372	2.397	20	30		FEEDMO
COCC(=O)NC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000674249299	679478537	/nfs/dbraw/zinc/47/85/37/679478537.db2.gz	NMDXJGYWVXYBFV-UHFFFAOYSA-N	1	1	354.372	2.284	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNS(=O)(=O)C(C)C)c1C	ZINC000749747857	680071067	/nfs/dbraw/zinc/07/10/67/680071067.db2.gz	QVIRPFPMHUTHGB-KRWDZBQOSA-N	1	1	354.520	2.251	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C1	ZINC000975723650	680083284	/nfs/dbraw/zinc/08/32/84/680083284.db2.gz	PABIAQASVAKLGY-JYJNAYRXSA-N	1	1	367.921	2.309	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)C)ns2)C1	ZINC001019500271	680095052	/nfs/dbraw/zinc/09/50/52/680095052.db2.gz	NAXNPCRETPIGKO-DZKIICNBSA-N	1	1	364.515	2.333	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1	ZINC001021802684	680177291	/nfs/dbraw/zinc/17/72/91/680177291.db2.gz	JKZIIQIIKHJQAE-SLBVQIDZSA-N	1	1	367.921	2.165	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@H]21	ZINC000978714803	680179280	/nfs/dbraw/zinc/17/92/80/680179280.db2.gz	GXRNNMXJYMRFAL-MTSZKFMLSA-N	1	1	361.873	2.120	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@H]21	ZINC000978714803	680179285	/nfs/dbraw/zinc/17/92/85/680179285.db2.gz	GXRNNMXJYMRFAL-MTSZKFMLSA-N	1	1	361.873	2.120	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnc(C)s2)C1	ZINC001022100104	680196188	/nfs/dbraw/zinc/19/61/88/680196188.db2.gz	ZSVJCRPTIGYELE-LFHLZQBKSA-N	1	1	350.488	2.126	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](CC[C@H]2CCCCO2)CC1	ZINC000982173992	680272587	/nfs/dbraw/zinc/27/25/87/680272587.db2.gz	SYRDZRRVNOWEQZ-QYZOEREBSA-N	1	1	350.503	2.461	20	30		FEEDMO
Oc1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc(Br)c1O	ZINC000753936638	680325404	/nfs/dbraw/zinc/32/54/04/680325404.db2.gz	SWBDKBNDWKIDAF-QWRGUYRKSA-N	1	1	353.220	2.054	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCOCC1	ZINC001027890751	680362594	/nfs/dbraw/zinc/36/25/94/680362594.db2.gz	HUSQUELZQWLEPR-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCCCNc2cccc(S(N)(=O)=O)c2C#N)C1	ZINC000754981439	680391689	/nfs/dbraw/zinc/39/16/89/680391689.db2.gz	YILGJVLSQPTCJM-CQSZACIVSA-N	1	1	350.488	2.130	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nn(C)cc2Cl)C1	ZINC000999182610	680397092	/nfs/dbraw/zinc/39/70/92/680397092.db2.gz	RCKHYULEFMDPJU-CPUCHLNUSA-N	1	1	366.893	2.135	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(C(C)C)ns1	ZINC001035054460	680442672	/nfs/dbraw/zinc/44/26/72/680442672.db2.gz	LTBCMIAPVTXVFT-KFWWJZLASA-N	1	1	364.515	2.333	20	30		FEEDMO
C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000985492187	680453844	/nfs/dbraw/zinc/45/38/44/680453844.db2.gz	CWVNMLVGWWQADI-OLZOCXBDSA-N	1	1	370.799	2.008	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001039134692	680461966	/nfs/dbraw/zinc/46/19/66/680461966.db2.gz	ULVWATGCVKYQEA-UAGQMJEPSA-N	1	1	356.894	2.103	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](CC)OC	ZINC001039945364	680467954	/nfs/dbraw/zinc/46/79/54/680467954.db2.gz	ZRYXZUCDYHAOSL-PJVZLEMVSA-N	1	1	350.503	2.458	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@H](c2ccc(F)cc2F)C1	ZINC000836490040	680476682	/nfs/dbraw/zinc/47/66/82/680476682.db2.gz	DBIWURGSICVZAI-KRWDZBQOSA-N	1	1	351.397	2.003	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC001002257464	680491516	/nfs/dbraw/zinc/49/15/16/680491516.db2.gz	GCCQXVZHXHRYGU-LSDHHAIUSA-N	1	1	355.910	2.070	20	30		FEEDMO
Cc1cc(Cl)cc(C)c1C=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000756876456	680502797	/nfs/dbraw/zinc/50/27/97/680502797.db2.gz	ISAYXZZZHFFFJR-UHFFFAOYSA-N	1	1	368.934	2.477	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)CC1	ZINC001003064669	680519882	/nfs/dbraw/zinc/51/98/82/680519882.db2.gz	MXGCLXRPUBPPNZ-NVXWUHKLSA-N	1	1	366.893	2.314	20	30		FEEDMO
C[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C	ZINC001042511171	680533478	/nfs/dbraw/zinc/53/34/78/680533478.db2.gz	WLTGYZOZTKPAKU-XJKCOSOUSA-N	1	1	361.877	2.032	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)CC2(C#N)CCCC2)cn1	ZINC000759025950	680622300	/nfs/dbraw/zinc/62/23/00/680622300.db2.gz	DSZOSXYUKQPAHU-UHFFFAOYSA-N	1	1	359.455	2.079	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)C1	ZINC001046065619	680643641	/nfs/dbraw/zinc/64/36/41/680643641.db2.gz	QYMGTFWIIKUYQD-OWCLPIDISA-N	1	1	370.335	2.160	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)C1	ZINC001046065619	680643645	/nfs/dbraw/zinc/64/36/45/680643645.db2.gz	QYMGTFWIIKUYQD-OWCLPIDISA-N	1	1	370.335	2.160	20	30		FEEDMO
CCN1CCN([C@H](C)CNC(NC(C)(C)C)=[NH+]CCCSC)CC1	ZINC000912506782	685388630	/nfs/dbraw/zinc/38/86/30/685388630.db2.gz	BWBWJFZMINPRMP-MRXNPFEDSA-N	1	1	357.612	2.099	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000843897106	681024452	/nfs/dbraw/zinc/02/44/52/681024452.db2.gz	QISFDCLFBSVRKH-INIZCTEOSA-N	1	1	351.491	2.095	20	30		FEEDMO
C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)[C@@H]2C1	ZINC001050068909	681040313	/nfs/dbraw/zinc/04/03/13/681040313.db2.gz	OQOXYNFXYRYUEB-CAOSSQGBSA-N	1	1	358.404	2.433	20	30		FEEDMO
Cc1nsc(N2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C)c1C#N	ZINC001050620713	681051968	/nfs/dbraw/zinc/05/19/68/681051968.db2.gz	CXOLQTYSJUXIDU-VNQPRFMTSA-N	1	1	361.515	2.279	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001058257944	681169697	/nfs/dbraw/zinc/16/96/97/681169697.db2.gz	JMSJGYHWFLXUEQ-GRYCIOLGSA-N	1	1	367.906	2.093	20	30		FEEDMO
C#CCOc1cccc(Cl)c1CN1CC[NH+](CCOCCOC)CC1	ZINC000846117061	681184820	/nfs/dbraw/zinc/18/48/20/681184820.db2.gz	MIJRPTNDSTYAPM-UHFFFAOYSA-N	1	1	366.889	2.133	20	30		FEEDMO
C=CC1(CC(=O)NC[C@H]2CCC[N@H+](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000932308832	681219244	/nfs/dbraw/zinc/21/92/44/681219244.db2.gz	BRKRQFHDHJUYKV-OAHLLOKOSA-N	1	1	351.491	2.258	20	30		FEEDMO
C#CC[N@@H+](CC(=O)NCCc1ccc(OC(F)F)c(OC)c1)C(C)C	ZINC000932394869	681240350	/nfs/dbraw/zinc/24/03/50/681240350.db2.gz	SISLJPMCQQBTGH-UHFFFAOYSA-N	1	1	354.397	2.299	20	30		FEEDMO
C#CC[N@H+](CC(=O)NCCc1ccc(OC(F)F)c(OC)c1)C(C)C	ZINC000932394869	681240353	/nfs/dbraw/zinc/24/03/53/681240353.db2.gz	SISLJPMCQQBTGH-UHFFFAOYSA-N	1	1	354.397	2.299	20	30		FEEDMO
CC(C)(C)OCCC[NH+]1CCN(C(=O)N[C@H](CC#N)C(F)(F)F)CC1	ZINC000932889663	681323365	/nfs/dbraw/zinc/32/33/65/681323365.db2.gz	UHEUBBXRBBTHPH-CYBMUJFWSA-N	1	1	364.412	2.363	20	30		FEEDMO
O=C1C[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CN1	ZINC000932943953	681332482	/nfs/dbraw/zinc/33/24/82/681332482.db2.gz	LPUNJTJLMOSGHQ-BIIVOSGPSA-N	1	1	366.252	2.225	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@H]1CCCO1	ZINC000775794944	681335586	/nfs/dbraw/zinc/33/55/86/681335586.db2.gz	UDNNVCWTEOASHB-JKSUJKDBSA-N	1	1	354.372	2.348	20	30		FEEDMO
C#C[C@H]([NH2+][C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[C@@H]1CCCO1	ZINC000775797809	681336071	/nfs/dbraw/zinc/33/60/71/681336071.db2.gz	DTOMEDSYNVWHMA-VGMNWLOBSA-N	1	1	362.298	2.480	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)cc1Cl	ZINC000933066806	681358578	/nfs/dbraw/zinc/35/85/78/681358578.db2.gz	LKBOWVPKYOPBDB-HNNXBMFYSA-N	1	1	363.845	2.156	20	30		FEEDMO
C[NH+](C)[C@@H](C(=O)NCCNc1ccc(C#N)cn1)c1ccc(Cl)cc1	ZINC000847331722	681363982	/nfs/dbraw/zinc/36/39/82/681363982.db2.gz	KCZXSNCJNGRVQZ-QGZVFWFLSA-N	1	1	357.845	2.438	20	30		FEEDMO
CC[C@@H]1C(=O)NCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000933219176	681377510	/nfs/dbraw/zinc/37/75/10/681377510.db2.gz	HJCQGLCYNFTAJH-CQSZACIVSA-N	1	1	360.483	2.038	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(CC(=O)[C@H](C#N)c3nc4ccccc4s3)C[C@]2(C)C1	ZINC000933735044	681459490	/nfs/dbraw/zinc/45/94/90/681459490.db2.gz	IWRCCCWPIVDPNJ-TYILLQQXSA-N	1	1	354.479	2.356	20	30		FEEDMO
C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1cc(C#N)cs1	ZINC000933776203	681466858	/nfs/dbraw/zinc/46/68/58/681466858.db2.gz	UMYZKQLFJXRGPQ-UHFFFAOYSA-N	1	1	356.451	2.468	20	30		FEEDMO
CN(C)S(=O)(=O)c1ccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)cc1	ZINC000848410482	681536488	/nfs/dbraw/zinc/53/64/88/681536488.db2.gz	POBSCAZXWUPKCU-KRWDZBQOSA-N	1	1	350.488	2.353	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cncc(Br)c2C)C1	ZINC000934279617	681544278	/nfs/dbraw/zinc/54/42/78/681544278.db2.gz	ZXORGXVKPRRYGM-LBPRGKRZSA-N	1	1	351.248	2.372	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cncc(Br)c2C)C1	ZINC000934279617	681544282	/nfs/dbraw/zinc/54/42/82/681544282.db2.gz	ZXORGXVKPRRYGM-LBPRGKRZSA-N	1	1	351.248	2.372	20	30		FEEDMO
C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000948547282	681588932	/nfs/dbraw/zinc/58/89/32/681588932.db2.gz	VZFJQHLFERAWQG-KFWWJZLASA-N	1	1	364.408	2.222	20	30		FEEDMO
C#CCN1CCC(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1	ZINC000913891050	685487857	/nfs/dbraw/zinc/48/78/57/685487857.db2.gz	ICECBSYILGRDDT-KRWDZBQOSA-N	1	1	360.527	2.282	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC000957012257	681874922	/nfs/dbraw/zinc/87/49/22/681874922.db2.gz	CGAQTUDKPCSBGS-RVZJWNSFSA-N	1	1	355.910	2.213	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC000957012256	681874959	/nfs/dbraw/zinc/87/49/59/681874959.db2.gz	CGAQTUDKPCSBGS-DFHBCGBQSA-N	1	1	355.910	2.213	20	30		FEEDMO
C=CCCn1cc(C[NH2+]C[C@H](O)c2cccc(Br)c2)nn1	ZINC000850284306	681878589	/nfs/dbraw/zinc/87/85/89/681878589.db2.gz	FLITZAOWCOHSGH-HNNXBMFYSA-N	1	1	351.248	2.440	20	30		FEEDMO
CCOc1c(Br)cc(C=NN2CC[NH+](C)CC2)cc1OC	ZINC000916249154	685522890	/nfs/dbraw/zinc/52/28/90/685522890.db2.gz	RBLZKPMKVPCHKN-UHFFFAOYSA-N	1	1	356.264	2.438	20	30		FEEDMO
C#CC[N@@H+](C[C@@H]1CNC(=O)C1)[C@H]1CCOc2ccc(Br)cc21	ZINC000851771345	682128987	/nfs/dbraw/zinc/12/89/87/682128987.db2.gz	BVXHERIATLWLEV-WFASDCNBSA-N	1	1	363.255	2.344	20	30		FEEDMO
C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1	ZINC000971719236	682369259	/nfs/dbraw/zinc/36/92/59/682369259.db2.gz	JEDJZYQZXLFDEU-KZNAEPCWSA-N	1	1	364.873	2.428	20	30		FEEDMO
C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1	ZINC000971719236	682369263	/nfs/dbraw/zinc/36/92/63/682369263.db2.gz	JEDJZYQZXLFDEU-KZNAEPCWSA-N	1	1	364.873	2.428	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21	ZINC000972339439	682407452	/nfs/dbraw/zinc/40/74/52/682407452.db2.gz	FUINOUMCOIEJSL-GDBMZVCRSA-N	1	1	367.921	2.309	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCOCC2)C1	ZINC000972512382	682418185	/nfs/dbraw/zinc/41/81/85/682418185.db2.gz	CLZHSVGWIGAKFM-FHWLQOOXSA-N	1	1	350.503	2.317	20	30		FEEDMO
O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000790542521	682684612	/nfs/dbraw/zinc/68/46/12/682684612.db2.gz	KAGJBNHEFPQBQG-CVEARBPZSA-N	1	1	352.356	2.036	20	30		FEEDMO
C=CCCCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000790967681	682716755	/nfs/dbraw/zinc/71/67/55/682716755.db2.gz	HIJFCCMLTARTBF-UHFFFAOYSA-N	1	1	364.877	2.113	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2sc(SC(F)F)nc2C)CC1	ZINC000793327211	682881801	/nfs/dbraw/zinc/88/18/01/682881801.db2.gz	BSFAYYNHUHCRAL-UHFFFAOYSA-N	1	1	359.467	2.476	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000926245388	683097204	/nfs/dbraw/zinc/09/72/04/683097204.db2.gz	ULWSQGZZCPOFQM-HPUSYDDDSA-N	1	1	352.519	2.201	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cnc1C(F)(F)F	ZINC000928079528	683372737	/nfs/dbraw/zinc/37/27/37/683372737.db2.gz	IYIBWAFUBKQJFJ-CHWSQXEVSA-N	1	1	370.400	2.282	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cnc1C(F)(F)F	ZINC000928079528	683372745	/nfs/dbraw/zinc/37/27/45/683372745.db2.gz	IYIBWAFUBKQJFJ-CHWSQXEVSA-N	1	1	370.400	2.282	20	30		FEEDMO
N#CCn1c(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc2ccccc21	ZINC000928100840	683392291	/nfs/dbraw/zinc/39/22/91/683392291.db2.gz	UUHPSMHIBRUJRF-MAUKXSAKSA-N	1	1	354.479	2.474	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)OC(C)(C)C)C1=O	ZINC000799124920	683425166	/nfs/dbraw/zinc/42/51/66/683425166.db2.gz	BFQBRNKIJFDBSS-PMPSAXMXSA-N	1	1	351.491	2.399	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1=O	ZINC000799142451	683427153	/nfs/dbraw/zinc/42/71/53/683427153.db2.gz	SXSQKZKHWIBGBM-JYJNAYRXSA-N	1	1	351.491	2.399	20	30		FEEDMO
C#CC[NH+]1CCC(NS(=O)(=O)c2cccc(C)c2Br)CC1	ZINC000921437690	683467578	/nfs/dbraw/zinc/46/75/78/683467578.db2.gz	DSFRSZWIABKVRW-UHFFFAOYSA-N	1	1	371.300	2.133	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=S)N1CCC(C#N)(c2ccccn2)CC1	ZINC000799899785	683506131	/nfs/dbraw/zinc/50/61/31/683506131.db2.gz	FTCZMMRXXKQBOH-INIZCTEOSA-N	1	1	357.527	2.298	20	30		FEEDMO
C=CCCc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)cc1	ZINC000921912674	683611080	/nfs/dbraw/zinc/61/10/80/683611080.db2.gz	UVOCVDYLJOUFHH-GOSISDBHSA-N	1	1	364.511	2.337	20	30		FEEDMO
C#CC[C@@H](CCOC)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F	ZINC000863390403	683714097	/nfs/dbraw/zinc/71/40/97/683714097.db2.gz	JSPCVPXXHAYMKD-FZMZJTMJSA-N	1	1	357.223	2.133	20	30		FEEDMO
C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000931062489	683825235	/nfs/dbraw/zinc/82/52/35/683825235.db2.gz	JOCOTYKIWKNCGF-OWCLPIDISA-N	1	1	356.532	2.171	20	30		FEEDMO
C#CC1(O)CC[NH+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000931145473	683841142	/nfs/dbraw/zinc/84/11/42/683841142.db2.gz	LBTOXXWGBOJJMU-UHFFFAOYSA-N	1	1	355.265	2.412	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@H](O)CC#N)CC[C@H]1C(F)(F)F	ZINC000931177186	683846750	/nfs/dbraw/zinc/84/67/50/683846750.db2.gz	VCHBAWJFIBAWDQ-JHJVBQTASA-N	1	1	365.396	2.286	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)CC#N)CC[C@H]1C(F)(F)F	ZINC000931177186	683846755	/nfs/dbraw/zinc/84/67/55/683846755.db2.gz	VCHBAWJFIBAWDQ-JHJVBQTASA-N	1	1	365.396	2.286	20	30		FEEDMO
C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(C#N)c1O	ZINC000866240802	684085203	/nfs/dbraw/zinc/08/52/03/684085203.db2.gz	NQOJTSRSZXZSPT-CYBMUJFWSA-N	1	1	359.451	2.365	20	30		FEEDMO
C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cc(F)cc(C#N)c2)C1	ZINC000866757063	684146233	/nfs/dbraw/zinc/14/62/33/684146233.db2.gz	ILIXWSAKCKEGFN-INIZCTEOSA-N	1	1	359.426	2.379	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(OC)c(OC(F)F)c2)C1	ZINC000923549608	684303702	/nfs/dbraw/zinc/30/37/02/684303702.db2.gz	NJEQRONCDSEWGG-CQSZACIVSA-N	1	1	352.381	2.053	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(OC)c(OC(F)F)c2)C1	ZINC000923549608	684303704	/nfs/dbraw/zinc/30/37/04/684303704.db2.gz	NJEQRONCDSEWGG-CQSZACIVSA-N	1	1	352.381	2.053	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(C(C)(C)C)c2Br)C1	ZINC000923555496	684305301	/nfs/dbraw/zinc/30/53/01/684305301.db2.gz	AVWABBDOCXGVOG-LBPRGKRZSA-N	1	1	367.291	2.228	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(C(C)(C)C)c2Br)C1	ZINC000923555496	684305307	/nfs/dbraw/zinc/30/53/07/684305307.db2.gz	AVWABBDOCXGVOG-LBPRGKRZSA-N	1	1	367.291	2.228	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2nn(C(C)(C)C)cc2Br)C1	ZINC000923555562	684305424	/nfs/dbraw/zinc/30/54/24/684305424.db2.gz	BPRFICIPIZPDSO-GFCCVEGCSA-N	1	1	367.291	2.228	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nn(C(C)(C)C)cc2Br)C1	ZINC000923555562	684305428	/nfs/dbraw/zinc/30/54/28/684305428.db2.gz	BPRFICIPIZPDSO-GFCCVEGCSA-N	1	1	367.291	2.228	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)CCCCCNC(=O)OC(C)(C)C)C1	ZINC000923563270	684306502	/nfs/dbraw/zinc/30/65/02/684306502.db2.gz	DFSQKWQFXYCVNU-INIZCTEOSA-N	1	1	351.491	2.285	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)CCCCCNC(=O)OC(C)(C)C)C1	ZINC000923563270	684306507	/nfs/dbraw/zinc/30/65/07/684306507.db2.gz	DFSQKWQFXYCVNU-INIZCTEOSA-N	1	1	351.491	2.285	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1	ZINC000923563183	684306528	/nfs/dbraw/zinc/30/65/28/684306528.db2.gz	JRXKGQNOIXGQFH-NSHDSACASA-N	1	1	353.325	2.024	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1	ZINC000923563183	684306536	/nfs/dbraw/zinc/30/65/36/684306536.db2.gz	JRXKGQNOIXGQFH-NSHDSACASA-N	1	1	353.325	2.024	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)C1	ZINC000931578776	684306570	/nfs/dbraw/zinc/30/65/70/684306570.db2.gz	GLTASVBMEZHWTA-NEPJUHHUSA-N	1	1	360.405	2.452	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)C1	ZINC000931578776	684306580	/nfs/dbraw/zinc/30/65/80/684306580.db2.gz	GLTASVBMEZHWTA-NEPJUHHUSA-N	1	1	360.405	2.452	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000923568138	684307136	/nfs/dbraw/zinc/30/71/36/684307136.db2.gz	FJVXWUCGWCNXCX-GFCCVEGCSA-N	1	1	366.215	2.185	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000923568138	684307140	/nfs/dbraw/zinc/30/71/40/684307140.db2.gz	FJVXWUCGWCNXCX-GFCCVEGCSA-N	1	1	366.215	2.185	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2csc(Cc3ccccc3)n2)C1	ZINC000923584755	684308701	/nfs/dbraw/zinc/30/87/01/684308701.db2.gz	XJBLMFXFKJDCOM-QGZVFWFLSA-N	1	1	353.491	2.490	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2csc(Cc3ccccc3)n2)C1	ZINC000923584755	684308705	/nfs/dbraw/zinc/30/87/05/684308705.db2.gz	XJBLMFXFKJDCOM-QGZVFWFLSA-N	1	1	353.491	2.490	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)Nc1c(Cl)n(C)nc1C(F)(F)F	ZINC000932087578	684404780	/nfs/dbraw/zinc/40/47/80/684404780.db2.gz	QMFFXDKJJCKQDJ-UHFFFAOYSA-N	1	1	351.760	2.169	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C(=O)OCC	ZINC000870032705	684677862	/nfs/dbraw/zinc/67/78/62/684677862.db2.gz	JPYXCRWCTBYTCW-AWEZNQCLSA-N	1	1	355.822	2.075	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])C(=O)NCCCN1CCN(c2cccc(C)c2)CC1	ZINC000876782809	686268458	/nfs/dbraw/zinc/26/84/58/686268458.db2.gz	VAWSWQPJLVBULX-SFHVURJKSA-N	1	1	364.921	2.093	20	30		FEEDMO
CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1	ZINC000876966979	686302323	/nfs/dbraw/zinc/30/23/23/686302323.db2.gz	ARFKIJOINJDAMB-LLVKDONJSA-N	1	1	364.858	2.366	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(C#N)cnc2Cl)s1	ZINC000877115117	686327164	/nfs/dbraw/zinc/32/71/64/686327164.db2.gz	BNXXZUWNGHNRJJ-UHFFFAOYSA-N	1	1	370.887	2.045	20	30		FEEDMO
NC(=O)[C@H](F)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000879041492	686721687	/nfs/dbraw/zinc/72/16/87/686721687.db2.gz	GJZTWQRRLWOPBS-OAHLLOKOSA-N	1	1	358.335	2.472	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC([C@@H](F)C(N)=O)CC2)c(Br)c1	ZINC000879042881	686723058	/nfs/dbraw/zinc/72/30/58/686723058.db2.gz	YSCMOQBLDDJKND-CQSZACIVSA-N	1	1	354.223	2.356	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(CC(=O)[C@H](C#N)c3nc4ccccc4s3)CC[C@@H]21	ZINC000879576340	686861577	/nfs/dbraw/zinc/86/15/77/686861577.db2.gz	BLYQCJFVIFVDDR-YCPHGPKFSA-N	1	1	354.479	2.499	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@H](CF)C2)CC1	ZINC000880237355	687021318	/nfs/dbraw/zinc/02/13/18/687021318.db2.gz	VPJKDOLWCFSNIP-CVEARBPZSA-N	1	1	364.490	2.138	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1	ZINC000883084124	687559501	/nfs/dbraw/zinc/55/95/01/687559501.db2.gz	HRKIJKDERMAQOG-UHFFFAOYSA-N	1	1	352.236	2.275	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C(F)(F)F	ZINC000884951628	687972568	/nfs/dbraw/zinc/97/25/68/687972568.db2.gz	GUZQBHUWZDYTJA-CHWSQXEVSA-N	1	1	373.400	2.482	20	30		FEEDMO
COC(=O)c1ccc(N2CC[NH+](C[C@@H](O)CC3(C#N)CCC3)CC2)s1	ZINC000886238668	688217716	/nfs/dbraw/zinc/21/77/16/688217716.db2.gz	FQGLYCNKCWPIPQ-AWEZNQCLSA-N	1	1	363.483	2.102	20	30		FEEDMO
C#CCSCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000889906556	688848090	/nfs/dbraw/zinc/84/80/90/688848090.db2.gz	GIRUTZHBTKMCDS-QZTJIDSGSA-N	1	1	351.560	2.148	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)C1	ZINC000890368439	688911258	/nfs/dbraw/zinc/91/12/58/688911258.db2.gz	IDVAWNGYYWDHKL-BBWFWOEESA-N	1	1	361.511	2.443	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)C1	ZINC000890368439	688911261	/nfs/dbraw/zinc/91/12/61/688911261.db2.gz	IDVAWNGYYWDHKL-BBWFWOEESA-N	1	1	361.511	2.443	20	30		FEEDMO
COc1ccc(C[NH2+][C@H]2CS(=O)(=O)C2(C)C)cc1OCCCC#N	ZINC000895980136	689801956	/nfs/dbraw/zinc/80/19/56/689801956.db2.gz	QAHSRBWYSPRUFF-INIZCTEOSA-N	1	1	352.456	2.043	20	30		FEEDMO
C[C@H]([NH2+]Cc1nc(C#N)cs1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000897630483	690053294	/nfs/dbraw/zinc/05/32/94/690053294.db2.gz	ZRLIWXZITSQOBW-WCQYABFASA-N	1	1	352.460	2.129	20	30		FEEDMO
C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000897630482	690053457	/nfs/dbraw/zinc/05/34/57/690053457.db2.gz	ZRLIWXZITSQOBW-DGCLKSJQSA-N	1	1	352.460	2.129	20	30		FEEDMO
C=CCC[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)[C@]1(C)CCCCO1	ZINC000902792790	690807777	/nfs/dbraw/zinc/80/77/77/690807777.db2.gz	DIWCARWLFJGNGB-BJLQDIEVSA-N	1	1	351.535	2.457	20	30		FEEDMO
COCCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)cc1	ZINC000902972543	690825313	/nfs/dbraw/zinc/82/53/13/690825313.db2.gz	FYVXDNLBYMERPG-CQSZACIVSA-N	1	1	359.451	2.224	20	30		FEEDMO
CCOC(=O)[C@@H]1[C@H]([NH2+]CC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C	ZINC000903033504	690836241	/nfs/dbraw/zinc/83/62/41/690836241.db2.gz	WAXGVNCMUGRGRI-KGLIPLIRSA-N	1	1	351.447	2.211	20	30		FEEDMO
COc1c(Cl)cccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000905645748	691156075	/nfs/dbraw/zinc/15/60/75/691156075.db2.gz	YRDZCINNLUFAPE-UHFFFAOYSA-N	1	1	365.842	2.179	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCCCN(C)C(=O)OC(C)(C)C)CC1	ZINC000906483104	691276080	/nfs/dbraw/zinc/27/60/80/691276080.db2.gz	BNGMIBSXIKNWKE-UHFFFAOYSA-N	1	1	351.491	2.191	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ncc1C#N)C2	ZINC001164813178	720088252	/nfs/dbraw/zinc/08/82/52/720088252.db2.gz	SWHULXSFEHZKEK-QAPCUYQASA-N	1	1	361.877	2.186	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(C(C)C)ccc3C#N)CC[C@H]2C1	ZINC001164855080	720837475	/nfs/dbraw/zinc/83/74/75/720837475.db2.gz	SRUXYDDBGZPOIQ-PKOBYXMFSA-N	1	1	358.486	2.250	20	30		FEEDMO
N#Cc1cnc(Cl)cc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164870885	721053103	/nfs/dbraw/zinc/05/31/03/721053103.db2.gz	WZQQWQAZUBVRGX-IAGOWNOFSA-N	1	1	369.856	2.481	20	30		FEEDMO
N#Cc1cnc(Cl)cc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164870883	721053744	/nfs/dbraw/zinc/05/37/44/721053744.db2.gz	WZQQWQAZUBVRGX-DLBZAZTESA-N	1	1	369.856	2.481	20	30		FEEDMO
Cc1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(C=NO)c1	ZINC001164877040	721123283	/nfs/dbraw/zinc/12/32/83/721123283.db2.gz	OFEXVUDMUYUOPJ-RTBURBONSA-N	1	1	367.453	2.073	20	30		FEEDMO
Cc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ccc1C#N	ZINC001164884023	721422866	/nfs/dbraw/zinc/42/28/66/721422866.db2.gz	CZNAEXZVNXBMDZ-CTNGQTDRSA-N	1	1	369.513	2.027	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2C#N)[C@H]2CCCO[C@H]12	ZINC001164805581	721535864	/nfs/dbraw/zinc/53/58/64/721535864.db2.gz	MJWJQQSXHRXKNZ-OTWHNJEPSA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2C#N)[C@H]2CCCO[C@H]12	ZINC001164805581	721535869	/nfs/dbraw/zinc/53/58/69/721535869.db2.gz	MJWJQQSXHRXKNZ-OTWHNJEPSA-N	1	1	367.428	2.356	20	30		FEEDMO
CSc1nc(Cl)c(C#N)c(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1	ZINC001165039727	721900655	/nfs/dbraw/zinc/90/06/55/721900655.db2.gz	ZGFFRSGSIJNWTK-NSHDSACASA-N	1	1	353.879	2.025	20	30		FEEDMO
N#Cc1cc(C#N)c(N2CC[NH+](CCc3ccccn3)CC2)nc1Cl	ZINC001165055831	722012712	/nfs/dbraw/zinc/01/27/12/722012712.db2.gz	LXNPDXSXJQSZSD-UHFFFAOYSA-N	1	1	352.829	2.238	20	30		FEEDMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CNc1ccc(C#N)cn1	ZINC000497727513	887340045	/nfs/dbraw/zinc/34/00/45/887340045.db2.gz	NEMIMLJHCUCAHR-LJQANCHMSA-N	1	1	363.465	2.346	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000026062209	539775985	/nfs/dbraw/zinc/77/59/85/539775985.db2.gz	XXQIQYMXIOBZNX-WMZOPIPTSA-N	1	1	359.470	2.189	20	30		FEEDMO
C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1cccc(C#N)c1	ZINC000026329072	539784251	/nfs/dbraw/zinc/78/42/51/539784251.db2.gz	URTCXGNWJDSQQF-UHFFFAOYSA-N	1	1	350.422	2.406	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1	ZINC000026226142	539781252	/nfs/dbraw/zinc/78/12/52/539781252.db2.gz	NJFONQHHDRPZDS-UHFFFAOYSA-N	1	1	362.433	2.345	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1	ZINC000026833009	539794171	/nfs/dbraw/zinc/79/41/71/539794171.db2.gz	JNEIGYGTDCOESV-UHFFFAOYSA-N	1	1	355.463	2.285	20	30		FEEDMO
C=C(C)C[N@H+](CC)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000032758577	539951184	/nfs/dbraw/zinc/95/11/84/539951184.db2.gz	BWKAGMPMRMLICM-GOSISDBHSA-N	1	1	357.454	2.266	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000047981767	540338479	/nfs/dbraw/zinc/33/84/79/540338479.db2.gz	YYXLNRKPCINHKZ-PBHICJAKSA-N	1	1	354.454	2.123	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000047981767	540338482	/nfs/dbraw/zinc/33/84/82/540338482.db2.gz	YYXLNRKPCINHKZ-PBHICJAKSA-N	1	1	354.454	2.123	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1	ZINC000050166007	540402025	/nfs/dbraw/zinc/40/20/25/540402025.db2.gz	BFQWLWBURYHVEX-OAHLLOKOSA-N	1	1	372.469	2.134	20	30		FEEDMO
CC(=O)NC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1	ZINC000050990777	540417509	/nfs/dbraw/zinc/41/75/09/540417509.db2.gz	QIHZQKOCPGNSAF-AWEZNQCLSA-N	1	1	360.433	2.061	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000051053217	540420099	/nfs/dbraw/zinc/42/00/99/540420099.db2.gz	KVOUWBUQTCPQMC-UHOSZYNNSA-N	1	1	373.497	2.315	20	30		FEEDMO
C=CC[N@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccc(OC)cc1	ZINC000054271932	540579488	/nfs/dbraw/zinc/57/94/88/540579488.db2.gz	VHAWYBBZNDOSIU-UHFFFAOYSA-N	1	1	357.410	2.302	20	30		FEEDMO
C=CC[N@@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccc(OC)cc1	ZINC000054271932	540579490	/nfs/dbraw/zinc/57/94/90/540579490.db2.gz	VHAWYBBZNDOSIU-UHFFFAOYSA-N	1	1	357.410	2.302	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(CCc3nc4ccccc4c(=O)[nH]3)CC2)cc1	ZINC000054153025	540571997	/nfs/dbraw/zinc/57/19/97/540571997.db2.gz	IZXCNDZKKDHFBC-UHFFFAOYSA-N	1	1	373.460	2.155	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C3CCCC3)CC2)o1	ZINC000055927421	540688173	/nfs/dbraw/zinc/68/81/73/540688173.db2.gz	KUYCTOCGETXDSQ-SFHVURJKSA-N	1	1	371.485	2.158	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)c1	ZINC000057901807	540822997	/nfs/dbraw/zinc/82/29/97/540822997.db2.gz	ZKMGQELZHRISFO-UHFFFAOYSA-N	1	1	354.454	2.221	20	30		FEEDMO
CC[NH+]1CCN(c2ccc(C(=O)N(CCC#N)CCC#N)cc2F)CC1	ZINC000067215913	541432799	/nfs/dbraw/zinc/43/27/99/541432799.db2.gz	ASXXVUSCILLNSP-UHFFFAOYSA-N	1	1	357.433	2.237	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1	ZINC000067321801	541444386	/nfs/dbraw/zinc/44/43/86/541444386.db2.gz	WDIFIGBTOUHTRF-MRXNPFEDSA-N	1	1	357.410	2.202	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000067397800	541456480	/nfs/dbraw/zinc/45/64/80/541456480.db2.gz	AXSNUUOWUWEMIM-QWHCGFSZSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000067414835	541459744	/nfs/dbraw/zinc/45/97/44/541459744.db2.gz	OJWXHSXZXJMBAT-CQSZACIVSA-N	1	1	362.861	2.388	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000067418628	541461787	/nfs/dbraw/zinc/46/17/87/541461787.db2.gz	GAFPARZEAGPVFO-IBGZPJMESA-N	1	1	370.497	2.398	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000067418628	541461792	/nfs/dbraw/zinc/46/17/92/541461792.db2.gz	GAFPARZEAGPVFO-IBGZPJMESA-N	1	1	370.497	2.398	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1	ZINC000067524876	541475194	/nfs/dbraw/zinc/47/51/94/541475194.db2.gz	KUKKPRQCOUKDNZ-OAHLLOKOSA-N	1	1	357.454	2.181	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[N@H+]1C	ZINC000542838645	541484485	/nfs/dbraw/zinc/48/44/85/541484485.db2.gz	MWMDCBAFBLDSGZ-CHWSQXEVSA-N	1	1	356.405	2.487	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000068046942	541541711	/nfs/dbraw/zinc/54/17/11/541541711.db2.gz	VAHYRSKFPMZBQT-GOSISDBHSA-N	1	1	368.433	2.373	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000068046942	541541716	/nfs/dbraw/zinc/54/17/16/541541716.db2.gz	VAHYRSKFPMZBQT-GOSISDBHSA-N	1	1	368.433	2.373	20	30		FEEDMO
CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cccc(C#N)c1	ZINC000068239980	541566816	/nfs/dbraw/zinc/56/68/16/541566816.db2.gz	MEXDVDDAWUNYNY-SFHVURJKSA-N	1	1	357.454	2.438	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000069121860	541659598	/nfs/dbraw/zinc/65/95/98/541659598.db2.gz	FHZUJVGVRJPJLS-SFHVURJKSA-N	1	1	362.433	2.196	20	30		FEEDMO
COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C	ZINC000069520422	541693333	/nfs/dbraw/zinc/69/33/33/541693333.db2.gz	LYWMUSIVOWUISU-SFHVURJKSA-N	1	1	359.470	2.473	20	30		FEEDMO
CC(C)CC[N@@H+](CCC#N)CCC(=O)N1CCN(c2ccccn2)CC1	ZINC000072691630	541851689	/nfs/dbraw/zinc/85/16/89/541851689.db2.gz	HWWOHIZAZZDHSP-UHFFFAOYSA-N	1	1	357.502	2.382	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CC[C@@H](C)O)c1C#N	ZINC000072714547	541856009	/nfs/dbraw/zinc/85/60/09/541856009.db2.gz	NLQFSZMEEGYHQI-CYBMUJFWSA-N	1	1	358.442	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CC[C@@H](C)O)c1C#N	ZINC000072714547	541856013	/nfs/dbraw/zinc/85/60/13/541856013.db2.gz	NLQFSZMEEGYHQI-CYBMUJFWSA-N	1	1	358.442	2.259	20	30		FEEDMO
N#Cc1cccc(NC(=O)CO/[NH+]=C/c2ccc(N3CCOCC3)cc2)c1	ZINC000072809755	541870856	/nfs/dbraw/zinc/87/08/56/541870856.db2.gz	IELAXMWOLSHDPG-HYARGMPZSA-N	1	1	364.405	2.384	20	30		FEEDMO
CC(C)c1[nH+]ccn1CCC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000073023799	541909671	/nfs/dbraw/zinc/90/96/71/541909671.db2.gz	XOILFPXRNPEFJH-UHFFFAOYSA-N	1	1	352.442	2.012	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1	ZINC000073312271	541942690	/nfs/dbraw/zinc/94/26/90/541942690.db2.gz	BBHDHSHLGFHGNR-LJQANCHMSA-N	1	1	350.422	2.265	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1	ZINC000073312271	541942695	/nfs/dbraw/zinc/94/26/95/541942695.db2.gz	BBHDHSHLGFHGNR-LJQANCHMSA-N	1	1	350.422	2.265	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	ZINC000073721192	541990912	/nfs/dbraw/zinc/99/09/12/541990912.db2.gz	GXAPKFCJZNUJJU-OALUTQOASA-N	1	1	358.486	2.436	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC(=O)N(C)C)sc2C1	ZINC000074022445	542026785	/nfs/dbraw/zinc/02/67/85/542026785.db2.gz	JVWGJAAFORSEFO-LBPRGKRZSA-N	1	1	362.499	2.093	20	30		FEEDMO
CCCNC(=O)[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1	ZINC000075676390	542196534	/nfs/dbraw/zinc/19/65/34/542196534.db2.gz	UVXGFWJQLCDKGY-INIZCTEOSA-N	1	1	353.426	2.346	20	30		FEEDMO
CCCNC(=O)[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1	ZINC000075676390	542196538	/nfs/dbraw/zinc/19/65/38/542196538.db2.gz	UVXGFWJQLCDKGY-INIZCTEOSA-N	1	1	353.426	2.346	20	30		FEEDMO
C=CCCC[N@H+](C)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000076736139	542319270	/nfs/dbraw/zinc/31/92/70/542319270.db2.gz	LDZOWJAGYKQVPX-NSHDSACASA-N	1	1	357.376	2.445	20	30		FEEDMO
C=CCCCN(C)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000077594700	542402017	/nfs/dbraw/zinc/40/20/17/542402017.db2.gz	QWOINYWNRFSCRA-LJQANCHMSA-N	1	1	372.513	2.492	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000078615871	542471037	/nfs/dbraw/zinc/47/10/37/542471037.db2.gz	NDYUMYZMJAMSAP-QGZVFWFLSA-N	1	1	359.451	2.408	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCCc2ccccc2)CC1	ZINC000091538799	542811848	/nfs/dbraw/zinc/81/18/48/542811848.db2.gz	HJMPTXDTTRBPLY-FQEVSTJZSA-N	1	1	356.514	2.243	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc(OC)c1O	ZINC000091897421	542831230	/nfs/dbraw/zinc/83/12/30/542831230.db2.gz	ABUZJDCLGFDCCD-INIZCTEOSA-N	1	1	368.499	2.031	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc(OC)c1O	ZINC000091897421	542831232	/nfs/dbraw/zinc/83/12/32/542831232.db2.gz	ABUZJDCLGFDCCD-INIZCTEOSA-N	1	1	368.499	2.031	20	30		FEEDMO
COCC[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H](C)C(N)=O	ZINC000093139026	542911805	/nfs/dbraw/zinc/91/18/05/542911805.db2.gz	ZJRXBRKWGLEDJS-INIZCTEOSA-N	1	1	367.449	2.459	20	30		FEEDMO
COCC[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@@H](C)C(N)=O	ZINC000093139026	542911808	/nfs/dbraw/zinc/91/18/08/542911808.db2.gz	ZJRXBRKWGLEDJS-INIZCTEOSA-N	1	1	367.449	2.459	20	30		FEEDMO
C=CCOc1ccccc1C[NH+]1CCC(N(CC)S(C)(=O)=O)CC1	ZINC000093320666	542926211	/nfs/dbraw/zinc/92/62/11/542926211.db2.gz	QGQTWIOEFIFOKB-UHFFFAOYSA-N	1	1	352.500	2.497	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000101921663	543049926	/nfs/dbraw/zinc/04/99/26/543049926.db2.gz	DVRQBSFBOZZGLL-QGZVFWFLSA-N	1	1	362.449	2.446	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000101921663	543049929	/nfs/dbraw/zinc/04/99/29/543049929.db2.gz	DVRQBSFBOZZGLL-QGZVFWFLSA-N	1	1	362.449	2.446	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000101921658	543050428	/nfs/dbraw/zinc/05/04/28/543050428.db2.gz	DVRQBSFBOZZGLL-KRWDZBQOSA-N	1	1	362.449	2.446	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000101921658	543050431	/nfs/dbraw/zinc/05/04/31/543050431.db2.gz	DVRQBSFBOZZGLL-KRWDZBQOSA-N	1	1	362.449	2.446	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000101922313	543050483	/nfs/dbraw/zinc/05/04/83/543050483.db2.gz	YBCCWZUVRHPRIT-QGZVFWFLSA-N	1	1	360.433	2.222	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000101922313	543050487	/nfs/dbraw/zinc/05/04/87/543050487.db2.gz	YBCCWZUVRHPRIT-QGZVFWFLSA-N	1	1	360.433	2.222	20	30		FEEDMO
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000104075735	543122434	/nfs/dbraw/zinc/12/24/34/543122434.db2.gz	LQMASQYUEJINOH-STQMWFEESA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCCN1c1cccnn1	ZINC000106089296	543193915	/nfs/dbraw/zinc/19/39/15/543193915.db2.gz	KFUJRUMCAQDDNX-YJBOKZPZSA-N	1	1	364.453	2.276	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1	ZINC000108388792	543288511	/nfs/dbraw/zinc/28/85/11/543288511.db2.gz	GESMDTYSWGNMHS-HXUWFJFHSA-N	1	1	372.444	2.227	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000108611365	543297780	/nfs/dbraw/zinc/29/77/80/543297780.db2.gz	FMAFKFRJBSZSTD-HNNXBMFYSA-N	1	1	374.510	2.479	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000108575809	543295466	/nfs/dbraw/zinc/29/54/66/543295466.db2.gz	QOEGVUOVMNFNFV-SFHVURJKSA-N	1	1	373.476	2.009	20	30		FEEDMO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000247451446	549335461	/nfs/dbraw/zinc/33/54/61/549335461.db2.gz	QGTFLOYDWFXLTF-GUYCJALGSA-N	1	1	368.485	2.092	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1C(=O)NCc1ccco1	ZINC000109093653	543314095	/nfs/dbraw/zinc/31/40/95/543314095.db2.gz	QTBICPLEQRSLLH-SFHVURJKSA-N	1	1	366.421	2.261	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000111267318	543390759	/nfs/dbraw/zinc/39/07/59/543390759.db2.gz	GSDPJQVVGBUSLC-CYBMUJFWSA-N	1	1	374.510	2.285	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)N1CC[NH+](C)CC1	ZINC000112511907	543450180	/nfs/dbraw/zinc/45/01/80/543450180.db2.gz	DZXKQVDGHUPZFA-GFCCVEGCSA-N	1	1	370.375	2.074	20	30		FEEDMO
CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000113003652	543472367	/nfs/dbraw/zinc/47/23/67/543472367.db2.gz	BSZBGMIRBDTFOZ-GFCCVEGCSA-N	1	1	371.890	2.295	20	30		FEEDMO
CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000113003652	543472369	/nfs/dbraw/zinc/47/23/69/543472369.db2.gz	BSZBGMIRBDTFOZ-GFCCVEGCSA-N	1	1	371.890	2.295	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3CC)cc2C1=O	ZINC000113199026	543476761	/nfs/dbraw/zinc/47/67/61/543476761.db2.gz	DOCYYADPFNZUKW-INIZCTEOSA-N	1	1	369.465	2.463	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000114737170	543534687	/nfs/dbraw/zinc/53/46/87/543534687.db2.gz	OYDFZYPVLKRCAZ-UHFFFAOYSA-N	1	1	370.478	2.205	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)nc1	ZINC000115674533	543581399	/nfs/dbraw/zinc/58/13/99/543581399.db2.gz	HVLIDSCDJOJTNB-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
C=CC[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2	ZINC000121514323	543695757	/nfs/dbraw/zinc/69/57/57/543695757.db2.gz	OOOCKFRRSBXYMI-HNNXBMFYSA-N	1	1	356.470	2.474	20	30		FEEDMO
C=CC[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2	ZINC000121514323	543695760	/nfs/dbraw/zinc/69/57/60/543695760.db2.gz	OOOCKFRRSBXYMI-HNNXBMFYSA-N	1	1	356.470	2.474	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC[C@@H]21	ZINC000120318113	543678246	/nfs/dbraw/zinc/67/82/46/543678246.db2.gz	IVMOQYVBXKEIQU-YJBOKZPZSA-N	1	1	368.481	2.369	20	30		FEEDMO
N#Cc1ccc2ncc(C[NH2+]CCN3CCN(Cc4ccccc4)CC3)n2c1	ZINC000123178764	543746518	/nfs/dbraw/zinc/74/65/18/543746518.db2.gz	DQAQMYMQVDBPNP-UHFFFAOYSA-N	1	1	374.492	2.113	20	30		FEEDMO
C=CCCOCCNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000122143751	543703815	/nfs/dbraw/zinc/70/38/15/543703815.db2.gz	IDZTXZHOFOFLHW-SFHVURJKSA-N	1	1	360.502	2.089	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1OC	ZINC000124483564	543824888	/nfs/dbraw/zinc/82/48/88/543824888.db2.gz	SRQRAGCDBQKBCA-GOSISDBHSA-N	1	1	374.481	2.331	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC(C)(C)CN1CCOCC1	ZINC000124202686	543806339	/nfs/dbraw/zinc/80/63/39/543806339.db2.gz	WFXRMGGAUMJPOY-QGZVFWFLSA-N	1	1	364.534	2.008	20	30		FEEDMO
C[NH+](C)CC[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(C)(C)C	ZINC000125489729	543884632	/nfs/dbraw/zinc/88/46/32/543884632.db2.gz	YGMKJGRPMDHKGB-CQSZACIVSA-N	1	1	359.442	2.481	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c(O)cccc3O)CC2)cc1	ZINC000125601998	543891372	/nfs/dbraw/zinc/89/13/72/543891372.db2.gz	VDLUOECTWRQNOB-UHFFFAOYSA-N	1	1	351.406	2.318	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3c(O)cccc3O)CC2)cc1	ZINC000125601998	543891373	/nfs/dbraw/zinc/89/13/73/543891373.db2.gz	VDLUOECTWRQNOB-UHFFFAOYSA-N	1	1	351.406	2.318	20	30		FEEDMO
N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c(F)c1	ZINC000125755517	543900353	/nfs/dbraw/zinc/90/03/53/543900353.db2.gz	XDJMQHKRWIILRC-AWEZNQCLSA-N	1	1	369.437	2.379	20	30		FEEDMO
N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1	ZINC000125755517	543900355	/nfs/dbraw/zinc/90/03/55/543900355.db2.gz	XDJMQHKRWIILRC-AWEZNQCLSA-N	1	1	369.437	2.379	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C[N@H+]1C1CC1	ZINC000127901966	544021035	/nfs/dbraw/zinc/02/10/35/544021035.db2.gz	GWWNTMNYZDFVOG-FUHWJXTLSA-N	1	1	367.497	2.405	20	30		FEEDMO
CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000128094271	544032314	/nfs/dbraw/zinc/03/23/14/544032314.db2.gz	KMKCVVWICOVKLQ-HLLBOEOZSA-N	1	1	372.469	2.043	20	30		FEEDMO
CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000128094271	544032316	/nfs/dbraw/zinc/03/23/16/544032316.db2.gz	KMKCVVWICOVKLQ-HLLBOEOZSA-N	1	1	372.469	2.043	20	30		FEEDMO
C[NH+](C)CCn1ccc2ccc(NS(=O)(=O)c3ccc(C#N)nc3)cc21	ZINC000127382363	543989872	/nfs/dbraw/zinc/98/98/72/543989872.db2.gz	WDYQDPLFHCLSMB-UHFFFAOYSA-N	1	1	369.450	2.270	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000128710805	544067658	/nfs/dbraw/zinc/06/76/58/544067658.db2.gz	QMPBTBIIWDYDBE-CQSZACIVSA-N	1	1	353.463	2.344	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)c(-c2cccnc2)n1	ZINC000129654074	544121728	/nfs/dbraw/zinc/12/17/28/544121728.db2.gz	RHPHWFARFTTZNR-UHFFFAOYSA-N	1	1	373.464	2.461	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000129732132	544125549	/nfs/dbraw/zinc/12/55/49/544125549.db2.gz	LYBNVKYCMHOGEE-LJQANCHMSA-N	1	1	372.513	2.104	20	30		FEEDMO
C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000131143695	544178400	/nfs/dbraw/zinc/17/84/00/544178400.db2.gz	IRESTMQBKKFRJY-QGZVFWFLSA-N	1	1	352.500	2.355	20	30		FEEDMO
CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1	ZINC000133336140	544265330	/nfs/dbraw/zinc/26/53/30/544265330.db2.gz	CZULGEWNQNZZMD-UHFFFAOYSA-N	1	1	364.449	2.134	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000133418019	544269247	/nfs/dbraw/zinc/26/92/47/544269247.db2.gz	VCEWRWMROMICEQ-XHSDSOJGSA-N	1	1	370.453	2.001	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000133496563	544272601	/nfs/dbraw/zinc/27/26/01/544272601.db2.gz	MRVMLVIPNXZVJE-HOTGVXAUSA-N	1	1	358.442	2.163	20	30		FEEDMO
C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000150894927	544483867	/nfs/dbraw/zinc/48/38/67/544483867.db2.gz	URUYLWZZGQQJBC-CQSZACIVSA-N	1	1	353.488	2.339	20	30		FEEDMO
N#Cc1cccc(Oc2ccc(NC(=O)N3CC[NH+](CCO)CC3)cc2)c1	ZINC000151061947	544501509	/nfs/dbraw/zinc/50/15/09/544501509.db2.gz	OLELOXYCQDTPCF-UHFFFAOYSA-N	1	1	366.421	2.492	20	30		FEEDMO
C[C@H](C(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1CCSCC1	ZINC000152221265	544627298	/nfs/dbraw/zinc/62/72/98/544627298.db2.gz	RTYQXWMBTVRWJY-OAHLLOKOSA-N	1	1	359.495	2.365	20	30		FEEDMO
CC(C)(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)CCS(C)(=O)=O	ZINC000152250323	544630534	/nfs/dbraw/zinc/63/05/34/544630534.db2.gz	WLKJUGSNTWSOQA-UHFFFAOYSA-N	1	1	351.472	2.032	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3nncn3C3CC3)C2)CCCCC1	ZINC000152463243	544658075	/nfs/dbraw/zinc/65/80/75/544658075.db2.gz	YRZMDPJFSZJKRD-HNNXBMFYSA-N	1	1	356.474	2.135	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)CCCCC1	ZINC000152463243	544658078	/nfs/dbraw/zinc/65/80/78/544658078.db2.gz	YRZMDPJFSZJKRD-HNNXBMFYSA-N	1	1	356.474	2.135	20	30		FEEDMO
C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153267441	544753767	/nfs/dbraw/zinc/75/37/67/544753767.db2.gz	WNQRDVAWHWAXRU-ZIAGYGMSSA-N	1	1	366.469	2.094	20	30		FEEDMO
C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153291105	544757457	/nfs/dbraw/zinc/75/74/57/544757457.db2.gz	DZEYCEJDUYQDAD-HUUCEWRRSA-N	1	1	368.485	2.036	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1	ZINC000153511334	544784333	/nfs/dbraw/zinc/78/43/33/544784333.db2.gz	OMCDXKGTHZOBGB-QGZVFWFLSA-N	1	1	356.470	2.309	20	30		FEEDMO
Cn1cc(C[NH+]2CCN(Cc3ccon3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000180180288	327675214	/nfs/dbraw/zinc/67/52/14/327675214.db2.gz	NHQRAEUMXYDBSL-UHFFFAOYSA-N	1	1	362.437	2.265	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3CCO)CC2)cc1	ZINC000188375300	328083204	/nfs/dbraw/zinc/08/32/04/328083204.db2.gz	OAQMYAZDCAOOBD-UXHICEINSA-N	1	1	370.497	2.327	20	30		FEEDMO
COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000191501077	328268756	/nfs/dbraw/zinc/26/87/56/328268756.db2.gz	XFSKWVRVFJUTDK-VQTJNVASSA-N	1	1	354.450	2.487	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000192523329	328323423	/nfs/dbraw/zinc/32/34/23/328323423.db2.gz	WIODIVXDJNTUJA-HNNXBMFYSA-N	1	1	373.501	2.434	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1	ZINC000048731106	324671993	/nfs/dbraw/zinc/67/19/93/324671993.db2.gz	IQDCMZXACKZVHB-QGZVFWFLSA-N	1	1	366.421	2.433	20	30		FEEDMO
N#Cc1cccnc1N1CC[NH+](CCC(=O)Nc2ccccc2F)CC1	ZINC000078375402	325044318	/nfs/dbraw/zinc/04/43/18/325044318.db2.gz	QBGIENXXDJMADW-UHFFFAOYSA-N	1	1	353.401	2.243	20	30		FEEDMO
N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1	ZINC000079458922	325091569	/nfs/dbraw/zinc/09/15/69/325091569.db2.gz	WCFHABWVKSDIOI-HNNXBMFYSA-N	1	1	371.460	2.013	20	30		FEEDMO
CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1	ZINC000085576061	325255660	/nfs/dbraw/zinc/25/56/60/325255660.db2.gz	VTVNUNYGHGNOGT-MRXNPFEDSA-N	1	1	360.458	2.266	20	30		FEEDMO
CCn1c(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)nc2cc(F)ccc21	ZINC000089943783	325344573	/nfs/dbraw/zinc/34/45/73/325344573.db2.gz	OEHNEXIFUVIIKX-UHFFFAOYSA-N	1	1	355.421	2.437	20	30		FEEDMO
Cc1nc(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)no1	ZINC000103472913	325519922	/nfs/dbraw/zinc/51/99/22/325519922.db2.gz	ORRPDAJQYGLROG-QGZVFWFLSA-N	1	1	351.410	2.235	20	30		FEEDMO
Cc1oc(NC(=O)CN2CCC(Cc3[nH+]ccn3C)CC2)c(C#N)c1C	ZINC000106164598	325587707	/nfs/dbraw/zinc/58/77/07/325587707.db2.gz	MCMRNTYPVQIAFK-UHFFFAOYSA-N	1	1	355.442	2.395	20	30		FEEDMO
CC[N@@H+]1CCc2nc(NC(=O)COc3ccc(C#N)cc3OC)sc2C1	ZINC000119158552	326132420	/nfs/dbraw/zinc/13/24/20/326132420.db2.gz	ZDOCGVBEQQYFAM-UHFFFAOYSA-N	1	1	372.450	2.419	20	30		FEEDMO
CC[N@H+]1CCc2nc(NC(=O)COc3ccc(C#N)cc3OC)sc2C1	ZINC000119158552	326132421	/nfs/dbraw/zinc/13/24/21/326132421.db2.gz	ZDOCGVBEQQYFAM-UHFFFAOYSA-N	1	1	372.450	2.419	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000120571538	326269298	/nfs/dbraw/zinc/26/92/98/326269298.db2.gz	GNDSRZLZTWAGKL-ZDUSSCGKSA-N	1	1	359.451	2.407	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000120571538	326269300	/nfs/dbraw/zinc/26/93/00/326269300.db2.gz	GNDSRZLZTWAGKL-ZDUSSCGKSA-N	1	1	359.451	2.407	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000120571684	326269514	/nfs/dbraw/zinc/26/95/14/326269514.db2.gz	GNDSRZLZTWAGKL-CYBMUJFWSA-N	1	1	359.451	2.407	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000120571684	326269517	/nfs/dbraw/zinc/26/95/17/326269517.db2.gz	GNDSRZLZTWAGKL-CYBMUJFWSA-N	1	1	359.451	2.407	20	30		FEEDMO
C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000121447288	326339207	/nfs/dbraw/zinc/33/92/07/326339207.db2.gz	RYKWKRHAJCRSOM-AWEZNQCLSA-N	1	1	366.469	2.096	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000122191119	326387555	/nfs/dbraw/zinc/38/75/55/326387555.db2.gz	FEDNDLZBBCUYCE-KRWDZBQOSA-N	1	1	374.554	2.181	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(OC[C@@H]2CCOC2)CC1	ZINC000131732242	326580824	/nfs/dbraw/zinc/58/08/24/326580824.db2.gz	GYZOITWYJQNOKQ-JKSUJKDBSA-N	1	1	357.454	2.403	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000162370794	327023952	/nfs/dbraw/zinc/02/39/52/327023952.db2.gz	LPSSPJLBBWBLLF-LIRRHRJNSA-N	1	1	373.453	2.496	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)nc1	ZINC000170662196	327091944	/nfs/dbraw/zinc/09/19/44/327091944.db2.gz	HYIYYRWADZDNHK-UHFFFAOYSA-N	1	1	358.467	2.272	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)ccc1F	ZINC000171420586	327138366	/nfs/dbraw/zinc/13/83/66/327138366.db2.gz	FZAYMNNYNKDZCT-UHFFFAOYSA-N	1	1	374.441	2.035	20	30		FEEDMO
CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCCO1	ZINC000172172838	327185637	/nfs/dbraw/zinc/18/56/37/327185637.db2.gz	SPRINWAPBUKBFR-QGZVFWFLSA-N	1	1	353.426	2.183	20	30		FEEDMO
CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCCO1	ZINC000172172838	327185639	/nfs/dbraw/zinc/18/56/39/327185639.db2.gz	SPRINWAPBUKBFR-QGZVFWFLSA-N	1	1	353.426	2.183	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](OCCO)C2)cc1Cl	ZINC000172295734	327193569	/nfs/dbraw/zinc/19/35/69/327193569.db2.gz	GBBLMAMZKILVCW-OAHLLOKOSA-N	1	1	351.834	2.014	20	30		FEEDMO
CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000173411710	327254113	/nfs/dbraw/zinc/25/41/13/327254113.db2.gz	ATBZTXXVDIXLCW-CYBMUJFWSA-N	1	1	361.389	2.292	20	30		FEEDMO
CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000173411710	327254114	/nfs/dbraw/zinc/25/41/14/327254114.db2.gz	ATBZTXXVDIXLCW-CYBMUJFWSA-N	1	1	361.389	2.292	20	30		FEEDMO
CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2	ZINC000173792761	327284377	/nfs/dbraw/zinc/28/43/77/327284377.db2.gz	WMWAWXPOYTVSRZ-IAGOWNOFSA-N	1	1	368.437	2.360	20	30		FEEDMO
CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2	ZINC000173792752	327284406	/nfs/dbraw/zinc/28/44/06/327284406.db2.gz	WMWAWXPOYTVSRZ-IRXDYDNUSA-N	1	1	368.437	2.360	20	30		FEEDMO
N#Cc1cccc(OC2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)c1	ZINC000264854796	329067928	/nfs/dbraw/zinc/06/79/28/329067928.db2.gz	JGVUDRYBBZJLJT-UHFFFAOYSA-N	1	1	374.510	2.160	20	30		FEEDMO
COC(=O)[C@H]1CC12CC[NH+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC2	ZINC000265073312	329087918	/nfs/dbraw/zinc/08/79/18/329087918.db2.gz	PSLGZZZOFWWLST-CQSZACIVSA-N	1	1	361.829	2.425	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)[C@H]3CCN(C)C3=O)sc2C1	ZINC000265677708	329149174	/nfs/dbraw/zinc/14/91/74/329149174.db2.gz	ZTKUSZOCMQCTSM-DOMZBBRYSA-N	1	1	374.510	2.236	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000265998465	329180447	/nfs/dbraw/zinc/18/04/47/329180447.db2.gz	RDHPIIVOTDVJDU-LBPRGKRZSA-N	1	1	354.357	2.002	20	30		FEEDMO
CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H](C)C(=O)Nc1ccccc1C#N)CC2	ZINC000266076619	329187888	/nfs/dbraw/zinc/18/78/88/329187888.db2.gz	XVQBPKKWRGDUKW-BMGDILEWSA-N	1	1	357.454	2.137	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000266600837	329240405	/nfs/dbraw/zinc/24/04/05/329240405.db2.gz	QKOZIGGOBGRFDY-QGZVFWFLSA-N	1	1	372.469	2.164	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000266600837	329240406	/nfs/dbraw/zinc/24/04/06/329240406.db2.gz	QKOZIGGOBGRFDY-QGZVFWFLSA-N	1	1	372.469	2.164	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)s1	ZINC000269460080	329522308	/nfs/dbraw/zinc/52/23/08/329522308.db2.gz	XWTBDYGUSMSPHO-UHFFFAOYSA-N	1	1	353.444	2.135	20	30		FEEDMO
CCCNC(=O)C[NH+]1CCC(Nc2nc3c(cc2C#N)CCCC3)CC1	ZINC000270978934	329650955	/nfs/dbraw/zinc/65/09/55/329650955.db2.gz	ROXKPTXDBZGXGX-UHFFFAOYSA-N	1	1	355.486	2.235	20	30		FEEDMO
COc1cccc([C@@H](CNS(=O)(=O)Cc2ccc(C#N)cc2)[NH+](C)C)c1	ZINC000273062876	329833953	/nfs/dbraw/zinc/83/39/53/329833953.db2.gz	TWLZSRQBGVZZFL-LJQANCHMSA-N	1	1	373.478	2.289	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000276176189	330126517	/nfs/dbraw/zinc/12/65/17/330126517.db2.gz	LOYFBUNPEURHOX-ZIAGYGMSSA-N	1	1	360.845	2.235	20	30		FEEDMO
CC(C)N1CCN(c2nc(N3CC[NH+](C(C)C)CC3)ccc2C#N)CC1	ZINC000276459474	330154126	/nfs/dbraw/zinc/15/41/26/330154126.db2.gz	MSXRKQYEHOLETA-UHFFFAOYSA-N	1	1	356.518	2.014	20	30		FEEDMO
N#Cc1ccc(C2=CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1	ZINC000367215774	330231379	/nfs/dbraw/zinc/23/13/79/330231379.db2.gz	MUGNVLAMEJDGSX-UHFFFAOYSA-N	1	1	350.378	2.417	20	30		FEEDMO
N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1	ZINC000555416297	674360358	/nfs/dbraw/zinc/36/03/58/674360358.db2.gz	OOWRSUNXYXMUND-INIZCTEOSA-N	1	1	360.483	2.145	20	30		FEEDMO
CN(C(=O)c1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1)[C@H]1CCC[N@@H+](C)C1	ZINC000155511209	545535929	/nfs/dbraw/zinc/53/59/29/545535929.db2.gz	QOYVRYGKOACKJJ-KRWDZBQOSA-N	1	1	365.437	2.305	20	30		FEEDMO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nnc(-c2ccccc2)s1	ZINC000155646332	545553054	/nfs/dbraw/zinc/55/30/54/545553054.db2.gz	IZEMIMOHTVGMLJ-UHFFFAOYSA-N	1	1	353.455	2.447	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1nnc(-c2ccccc2)s1	ZINC000155646332	545553057	/nfs/dbraw/zinc/55/30/57/545553057.db2.gz	IZEMIMOHTVGMLJ-UHFFFAOYSA-N	1	1	353.455	2.447	20	30		FEEDMO
CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000156688019	545648003	/nfs/dbraw/zinc/64/80/03/545648003.db2.gz	XVDPIDIGEZVPPK-CYBMUJFWSA-N	1	1	361.389	2.340	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000156688019	545648006	/nfs/dbraw/zinc/64/80/06/545648006.db2.gz	XVDPIDIGEZVPPK-CYBMUJFWSA-N	1	1	361.389	2.340	20	30		FEEDMO
CC(C)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000157641391	545764917	/nfs/dbraw/zinc/76/49/17/545764917.db2.gz	YJBNVVXJMKXLRV-WUJZJPHMSA-N	1	1	350.507	2.010	20	30		FEEDMO
CC(C)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000157641391	545764922	/nfs/dbraw/zinc/76/49/22/545764922.db2.gz	YJBNVVXJMKXLRV-WUJZJPHMSA-N	1	1	350.507	2.010	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NC2CC[NH+](CCN(C)C)CC2)cc1C#N	ZINC000157862216	545794508	/nfs/dbraw/zinc/79/45/08/545794508.db2.gz	ZYCBHKFWVONMGJ-UHFFFAOYSA-N	1	1	373.501	2.493	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1C#N	ZINC000158034308	545814676	/nfs/dbraw/zinc/81/46/76/545814676.db2.gz	OXODJNHHJBZDSG-MEDUHNTESA-N	1	1	360.483	2.001	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1C#N	ZINC000158034308	545814683	/nfs/dbraw/zinc/81/46/83/545814683.db2.gz	OXODJNHHJBZDSG-MEDUHNTESA-N	1	1	360.483	2.001	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000478167239	561161256	/nfs/dbraw/zinc/16/12/56/561161256.db2.gz	IILSRXITYVEFSX-AWEZNQCLSA-N	1	1	353.463	2.381	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1	ZINC000170776888	546176112	/nfs/dbraw/zinc/17/61/12/546176112.db2.gz	LWAFNVMOPISVRJ-UHFFFAOYSA-N	1	1	359.470	2.291	20	30		FEEDMO
C=CCCCCCN(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1	ZINC000173183694	546275026	/nfs/dbraw/zinc/27/50/26/546275026.db2.gz	ARXPAQVZOAMEDP-UHFFFAOYSA-N	1	1	374.485	2.330	20	30		FEEDMO
COCCN1CCC([NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000173644287	546284283	/nfs/dbraw/zinc/28/42/83/546284283.db2.gz	MFVHCDSSALCVRQ-QGZVFWFLSA-N	1	1	358.486	2.022	20	30		FEEDMO
C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CN1CC[NH+](C)CC1	ZINC000175792948	546352053	/nfs/dbraw/zinc/35/20/53/546352053.db2.gz	ADWGBVAYZGCVFU-KRWDZBQOSA-N	1	1	369.513	2.116	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000177056946	546535170	/nfs/dbraw/zinc/53/51/70/546535170.db2.gz	AUFPLJNLXKNPEL-INIZCTEOSA-N	1	1	369.494	2.413	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1	ZINC000177077934	546541183	/nfs/dbraw/zinc/54/11/83/546541183.db2.gz	VFTVAYWNCLAALL-UHFFFAOYSA-N	1	1	371.412	2.333	20	30		FEEDMO
COCCOC[C@@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1	ZINC000177350902	546599355	/nfs/dbraw/zinc/59/93/55/546599355.db2.gz	AVKWSBLSZLTROU-CQSZACIVSA-N	1	1	351.472	2.160	20	30		FEEDMO
COCCOC[C@@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1	ZINC000177350902	546599360	/nfs/dbraw/zinc/59/93/60/546599360.db2.gz	AVKWSBLSZLTROU-CQSZACIVSA-N	1	1	351.472	2.160	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000177440722	546618497	/nfs/dbraw/zinc/61/84/97/546618497.db2.gz	OMSFWYWNMFZJLK-BBATYDOGSA-N	1	1	361.467	2.320	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000177440722	546618502	/nfs/dbraw/zinc/61/85/02/546618502.db2.gz	OMSFWYWNMFZJLK-BBATYDOGSA-N	1	1	361.467	2.320	20	30		FEEDMO
C=CCOC[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)OC	ZINC000482440149	561254007	/nfs/dbraw/zinc/25/40/07/561254007.db2.gz	PYSAZGUZYINYDA-HAGHYFMRSA-N	1	1	358.482	2.231	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(C#N)c1	ZINC000180902772	547206273	/nfs/dbraw/zinc/20/62/73/547206273.db2.gz	DAGZSOQZYSBNAR-OAHLLOKOSA-N	1	1	350.422	2.133	20	30		FEEDMO
C=C(C)C[N@@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC	ZINC000181331896	547294308	/nfs/dbraw/zinc/29/43/08/547294308.db2.gz	JOMJMTOBKFDPQQ-UHFFFAOYSA-N	1	1	350.488	2.314	20	30		FEEDMO
C=C(C)C[N@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC	ZINC000181331896	547294315	/nfs/dbraw/zinc/29/43/15/547294315.db2.gz	JOMJMTOBKFDPQQ-UHFFFAOYSA-N	1	1	350.488	2.314	20	30		FEEDMO
C[C@@H]1CCC[C@@H](CO)[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000181394827	547306618	/nfs/dbraw/zinc/30/66/18/547306618.db2.gz	NOOCOYZMJWGKGU-PBHICJAKSA-N	1	1	368.399	2.408	20	30		FEEDMO
C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000483304262	561273599	/nfs/dbraw/zinc/27/35/99/561273599.db2.gz	PTBFSSOLXLGTBO-RHSMWYFYSA-N	1	1	365.861	2.058	20	30		FEEDMO
C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000483304262	561273600	/nfs/dbraw/zinc/27/36/00/561273600.db2.gz	PTBFSSOLXLGTBO-RHSMWYFYSA-N	1	1	365.861	2.058	20	30		FEEDMO
N#Cc1cccnc1N1CC[NH+](CCC(=O)OCc2ccccc2)CC1	ZINC000181422588	547311678	/nfs/dbraw/zinc/31/16/78/547311678.db2.gz	UOHWQJOKFIMGPG-UHFFFAOYSA-N	1	1	350.422	2.209	20	30		FEEDMO
CNC(=O)C[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccccc1	ZINC000483423418	561276703	/nfs/dbraw/zinc/27/67/03/561276703.db2.gz	AKDLIBBJULSXSB-INIZCTEOSA-N	1	1	354.410	2.174	20	30		FEEDMO
C=C(C)C[N@H+](CC)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000182670399	547530412	/nfs/dbraw/zinc/53/04/12/547530412.db2.gz	WRHJBLIVKGHZLR-LJQANCHMSA-N	1	1	358.461	2.433	20	30		FEEDMO
CC1(C)[C@@H]2C[N@H+](CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C[C@@H]21	ZINC000182797993	547554197	/nfs/dbraw/zinc/55/41/97/547554197.db2.gz	LNTOFHJLUBJDRZ-XHSDSOJGSA-N	1	1	358.511	2.045	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOCC4(CCOCC4)C3)C2=O)cc1	ZINC000184106024	547770462	/nfs/dbraw/zinc/77/04/62/547770462.db2.gz	SXZNZCNSCMMITL-LJQANCHMSA-N	1	1	369.465	2.183	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+](C)C	ZINC000185396935	547979941	/nfs/dbraw/zinc/97/99/41/547979941.db2.gz	QILVYFLTJYVYBO-ZDUSSCGKSA-N	1	1	365.480	2.210	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000185797477	548036337	/nfs/dbraw/zinc/03/63/37/548036337.db2.gz	PPTPWQZJCOLYAL-INIZCTEOSA-N	1	1	363.483	2.110	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1	ZINC000185879782	548050528	/nfs/dbraw/zinc/05/05/28/548050528.db2.gz	RDNGEKVEMAXIMO-APWZRJJASA-N	1	1	371.462	2.291	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1	ZINC000185879782	548050530	/nfs/dbraw/zinc/05/05/30/548050530.db2.gz	RDNGEKVEMAXIMO-APWZRJJASA-N	1	1	371.462	2.291	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CC2(CO)CC2)c1C#N	ZINC000186823455	548200488	/nfs/dbraw/zinc/20/04/88/548200488.db2.gz	QRGSJCWMHJGCGI-UHFFFAOYSA-N	1	1	370.453	2.261	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CC2(CO)CC2)c1C#N	ZINC000186823455	548200490	/nfs/dbraw/zinc/20/04/90/548200490.db2.gz	QRGSJCWMHJGCGI-UHFFFAOYSA-N	1	1	370.453	2.261	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NCC(=O)Nc2sccc2C#N)[C@H](C)C1	ZINC000187019991	548242170	/nfs/dbraw/zinc/24/21/70/548242170.db2.gz	HVWQNZXMCKZOBE-ZBFHGGJFSA-N	1	1	364.515	2.285	20	30		FEEDMO
N#Cc1c(F)cccc1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000187042521	548246481	/nfs/dbraw/zinc/24/64/81/548246481.db2.gz	SFCJYMPRHNJODW-GOSISDBHSA-N	1	1	366.396	2.399	20	30		FEEDMO
N#Cc1c(F)cccc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000187042521	548246486	/nfs/dbraw/zinc/24/64/86/548246486.db2.gz	SFCJYMPRHNJODW-GOSISDBHSA-N	1	1	366.396	2.399	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1	ZINC000189200103	548297624	/nfs/dbraw/zinc/29/76/24/548297624.db2.gz	CVJYVCAVGOTJID-OAQYLSRUSA-N	1	1	373.497	2.170	20	30		FEEDMO
C=C(C)CS(=O)(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000189600002	548305742	/nfs/dbraw/zinc/30/57/42/548305742.db2.gz	HMHGAYSSBUVWMQ-UHFFFAOYSA-N	1	1	371.934	2.348	20	30		FEEDMO
C=C(C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000189768277	548311671	/nfs/dbraw/zinc/31/16/71/548311671.db2.gz	FXYSBLFRXXLCOB-ZWKOTPCHSA-N	1	1	357.564	2.161	20	30		FEEDMO
C=C(C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1	ZINC000189768277	548311674	/nfs/dbraw/zinc/31/16/74/548311674.db2.gz	FXYSBLFRXXLCOB-ZWKOTPCHSA-N	1	1	357.564	2.161	20	30		FEEDMO
C=CC[N@@H+](CCOC)CC(=O)NCc1c(C)nn(-c2ccccc2)c1C	ZINC000191111663	548339783	/nfs/dbraw/zinc/33/97/83/548339783.db2.gz	RPMPKSZFSSHXQE-UHFFFAOYSA-N	1	1	356.470	2.240	20	30		FEEDMO
C=CC[N@H+](CCOC)CC(=O)NCc1c(C)nn(-c2ccccc2)c1C	ZINC000191111663	548339787	/nfs/dbraw/zinc/33/97/87/548339787.db2.gz	RPMPKSZFSSHXQE-UHFFFAOYSA-N	1	1	356.470	2.240	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1	ZINC000193248328	548384612	/nfs/dbraw/zinc/38/46/12/548384612.db2.gz	SBTKFRQEINKDCT-SFHVURJKSA-N	1	1	355.482	2.424	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccccc2)CC1	ZINC000193248328	548384618	/nfs/dbraw/zinc/38/46/18/548384618.db2.gz	SBTKFRQEINKDCT-SFHVURJKSA-N	1	1	355.482	2.424	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000193748327	548395351	/nfs/dbraw/zinc/39/53/51/548395351.db2.gz	NEBADZFKOCVHBK-OAHLLOKOSA-N	1	1	356.470	2.274	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(C#N)c(C)c2)C1	ZINC000487918055	561378802	/nfs/dbraw/zinc/37/88/02/561378802.db2.gz	OFZHNBANQUTXLO-GOSISDBHSA-N	1	1	357.454	2.100	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(C#N)c(C)c2)C1	ZINC000487918055	561378803	/nfs/dbraw/zinc/37/88/03/561378803.db2.gz	OFZHNBANQUTXLO-GOSISDBHSA-N	1	1	357.454	2.100	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000245423740	548914969	/nfs/dbraw/zinc/91/49/69/548914969.db2.gz	BQEVLFWJXKKUNB-IBGZPJMESA-N	1	1	357.502	2.138	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1C	ZINC000487978304	561380462	/nfs/dbraw/zinc/38/04/62/561380462.db2.gz	XNTHMPLDDOTTNX-MAUKXSAKSA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1C	ZINC000487978304	561380463	/nfs/dbraw/zinc/38/04/63/561380463.db2.gz	XNTHMPLDDOTTNX-MAUKXSAKSA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+]1[C@H](C)CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C	ZINC000245521560	548938212	/nfs/dbraw/zinc/93/82/12/548938212.db2.gz	KVGAVWGWEKJYCG-QKLQHJQFSA-N	1	1	370.497	2.095	20	30		FEEDMO
COc1cc(OC)cc([C@@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)c1	ZINC000246297475	549099491	/nfs/dbraw/zinc/09/94/91/549099491.db2.gz	BPJZOFYGLVKFEI-VLIAUNLRSA-N	1	1	357.454	2.302	20	30		FEEDMO
COc1cc(OC)cc([C@@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)c1	ZINC000246297475	549099496	/nfs/dbraw/zinc/09/94/96/549099496.db2.gz	BPJZOFYGLVKFEI-VLIAUNLRSA-N	1	1	357.454	2.302	20	30		FEEDMO
C=CCSCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000246477525	549141686	/nfs/dbraw/zinc/14/16/86/549141686.db2.gz	ATRALNLPMVOZNF-ZWKOTPCHSA-N	1	1	363.527	2.088	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(F)cc1	ZINC000488893379	561399121	/nfs/dbraw/zinc/39/91/21/561399121.db2.gz	TVWQTAINYMLNMK-QGZVFWFLSA-N	1	1	365.405	2.418	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1	ZINC000246934940	549246187	/nfs/dbraw/zinc/24/61/87/549246187.db2.gz	GRNBZAQDQCBWMP-CRAIPNDOSA-N	1	1	357.454	2.133	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)N[C@](C)(C#N)C1CC1	ZINC000247142210	549290821	/nfs/dbraw/zinc/29/08/21/549290821.db2.gz	YAFYDFMNDPVIQI-LAUBAEHRSA-N	1	1	354.498	2.391	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(C#N)ccc2C)CC1=O	ZINC000247190887	549297189	/nfs/dbraw/zinc/29/71/89/549297189.db2.gz	ODZQYNWAKVILQX-IRXDYDNUSA-N	1	1	354.454	2.138	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@](O)(C3CC3)C2)cc1	ZINC000489162349	561404789	/nfs/dbraw/zinc/40/47/89/561404789.db2.gz	RSKALOFVVWACNU-HXUWFJFHSA-N	1	1	357.454	2.179	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1C#N	ZINC000489254212	561406592	/nfs/dbraw/zinc/40/65/92/561406592.db2.gz	MZTSTXVGDQIVQF-UHFFFAOYSA-N	1	1	350.488	2.147	20	30		FEEDMO
C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(C#N)c(F)c2)C1	ZINC000489296514	561407495	/nfs/dbraw/zinc/40/74/95/561407495.db2.gz	UWOCWWIFJNIJRL-HNNXBMFYSA-N	1	1	359.426	2.379	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1	ZINC000249222409	549571119	/nfs/dbraw/zinc/57/11/19/549571119.db2.gz	UOPQFWWFFUFWAW-XJKSGUPXSA-N	1	1	360.845	2.093	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1	ZINC000249525680	549601105	/nfs/dbraw/zinc/60/11/05/549601105.db2.gz	YFURMOFKDXRTII-CABCVRRESA-N	1	1	362.499	2.469	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1	ZINC000249525680	549601107	/nfs/dbraw/zinc/60/11/07/549601107.db2.gz	YFURMOFKDXRTII-CABCVRRESA-N	1	1	362.499	2.469	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(F)cc1	ZINC000489831790	561420147	/nfs/dbraw/zinc/42/01/47/561420147.db2.gz	ASJVEVKOWRGPKH-QGZVFWFLSA-N	1	1	365.405	2.418	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1	ZINC000490626973	561436236	/nfs/dbraw/zinc/43/62/36/561436236.db2.gz	AFVJXKSTRNXNTD-IPMKNSEASA-N	1	1	358.482	2.145	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1	ZINC000490626975	561436267	/nfs/dbraw/zinc/43/62/67/561436267.db2.gz	AFVJXKSTRNXNTD-OTWHNJEPSA-N	1	1	358.482	2.145	20	30		FEEDMO
[NH2+]=C(NCCCCN1CCOCC1)NCc1cccc(C(F)(F)F)c1	ZINC000266974178	550025941	/nfs/dbraw/zinc/02/59/41/550025941.db2.gz	HTQQNECSGJJFPC-UHFFFAOYSA-N	1	1	358.408	2.222	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1	ZINC000268169839	550037417	/nfs/dbraw/zinc/03/74/17/550037417.db2.gz	LOEXZXPGTARJAX-KSSFIOAISA-N	1	1	357.454	2.179	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1	ZINC000268718903	550108007	/nfs/dbraw/zinc/10/80/07/550108007.db2.gz	VWGDEKUBRDEJLI-CQSZACIVSA-N	1	1	362.861	2.244	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)CC[C@H]21	ZINC000269121039	550157750	/nfs/dbraw/zinc/15/77/50/550157750.db2.gz	SGBHYZVDKGIEHO-XJKSGUPXSA-N	1	1	360.845	2.093	20	30		FEEDMO
C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(C#N)cc2F)cc1	ZINC000269470555	550199567	/nfs/dbraw/zinc/19/95/67/550199567.db2.gz	ZXQDBLQWAVBBIO-UHFFFAOYSA-N	1	1	354.429	2.279	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1ccsc1	ZINC000269665838	550215295	/nfs/dbraw/zinc/21/52/95/550215295.db2.gz	NFIVUSSJLRICKF-CQSZACIVSA-N	1	1	353.444	2.340	20	30		FEEDMO
COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000270535837	550281385	/nfs/dbraw/zinc/28/13/85/550281385.db2.gz	AIZXXADZBLAEEY-RBOXIYTFSA-N	1	1	356.873	2.411	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1CCC#N	ZINC000271192382	550350812	/nfs/dbraw/zinc/35/08/12/550350812.db2.gz	SLDHVBRXDPUZSP-IXDOHACOSA-N	1	1	374.489	2.211	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1CCC#N	ZINC000271192382	550350813	/nfs/dbraw/zinc/35/08/13/550350813.db2.gz	SLDHVBRXDPUZSP-IXDOHACOSA-N	1	1	374.489	2.211	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000271811995	550403424	/nfs/dbraw/zinc/40/34/24/550403424.db2.gz	MEJJGEVCGFTODU-OAHLLOKOSA-N	1	1	367.515	2.012	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1	ZINC000271948449	550412981	/nfs/dbraw/zinc/41/29/81/550412981.db2.gz	AMCQUZZYBLFENC-UHFFFAOYSA-N	1	1	371.500	2.395	20	30		FEEDMO
C#CCC[NH+]1CCN(Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1	ZINC000272019458	550416876	/nfs/dbraw/zinc/41/68/76/550416876.db2.gz	MJTAHNHNIGCJLZ-UHFFFAOYSA-N	1	1	350.344	2.295	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)[C@@H]2C1	ZINC000272455899	550449864	/nfs/dbraw/zinc/44/98/64/550449864.db2.gz	JYMAXLAEAXAMSJ-PKOBYXMFSA-N	1	1	368.481	2.266	20	30		FEEDMO
O=C(NCC#Cc1ccccc1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000272747773	550468660	/nfs/dbraw/zinc/46/86/60/550468660.db2.gz	ICCVKWDICVAABT-OAQYLSRUSA-N	1	1	363.461	2.104	20	30		FEEDMO
N#Cc1c[nH]c(-c2nc(-c3ccccc3C[N@@H+]3CCC[C@H]3C(N)=O)no2)c1	ZINC000273865614	550514206	/nfs/dbraw/zinc/51/42/06/550514206.db2.gz	MLYKHDVQTJAHGW-INIZCTEOSA-N	1	1	362.393	2.053	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000274783683	550554201	/nfs/dbraw/zinc/55/42/01/550554201.db2.gz	AJZUXPLAXHUVLN-OAHLLOKOSA-N	1	1	359.430	2.310	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c(C#N)c1C	ZINC000278616143	550804599	/nfs/dbraw/zinc/80/45/99/550804599.db2.gz	JLYWHUGCOXTHCV-HIFRSBDPSA-N	1	1	374.485	2.280	20	30		FEEDMO
N#Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1F	ZINC000278801756	550823418	/nfs/dbraw/zinc/82/34/18/550823418.db2.gz	PTTLBLYJIAMPHB-GOSISDBHSA-N	1	1	353.397	2.194	20	30		FEEDMO
CCn1nccc1C1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000279107252	550854679	/nfs/dbraw/zinc/85/46/79/550854679.db2.gz	RVXGVPIBPGHFAT-UHFFFAOYSA-N	1	1	351.454	2.270	20	30		FEEDMO
COCCC[N@@H+](CCOC)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000279411038	550887324	/nfs/dbraw/zinc/88/73/24/550887324.db2.gz	NTFPHPRCKYDHMR-UHFFFAOYSA-N	1	1	357.458	2.344	20	30		FEEDMO
C[C@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1	ZINC000279695159	550917761	/nfs/dbraw/zinc/91/77/61/550917761.db2.gz	GKUKUDWACFYTGD-QFBILLFUSA-N	1	1	369.465	2.324	20	30		FEEDMO
C[C@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1	ZINC000279695159	550917763	/nfs/dbraw/zinc/91/77/63/550917763.db2.gz	GKUKUDWACFYTGD-QFBILLFUSA-N	1	1	369.465	2.324	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+](C)C2(CCO)CCOCC2)c(C#N)c1C	ZINC000495454299	561488271	/nfs/dbraw/zinc/48/82/71/561488271.db2.gz	IMKHWYWSYBZRAI-UHFFFAOYSA-N	1	1	351.472	2.039	20	30		FEEDMO
Cc1oc(NC(=O)C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)c(C#N)c1C	ZINC000280303549	550978285	/nfs/dbraw/zinc/97/82/85/550978285.db2.gz	FXHVCEGDQMHYAK-INIZCTEOSA-N	1	1	354.410	2.255	20	30		FEEDMO
Cc1oc(NC(=O)C[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)c(C#N)c1C	ZINC000280303549	550978286	/nfs/dbraw/zinc/97/82/86/550978286.db2.gz	FXHVCEGDQMHYAK-INIZCTEOSA-N	1	1	354.410	2.255	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(O)(Cc2cccc(C)c2)CC1	ZINC000280370179	550986111	/nfs/dbraw/zinc/98/61/11/550986111.db2.gz	KIYOGELEABVGCX-SFHVURJKSA-N	1	1	357.498	2.373	20	30		FEEDMO
N#Cc1ccc([C@H](O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1	ZINC000280902305	551044200	/nfs/dbraw/zinc/04/42/00/551044200.db2.gz	RGPGMQOHANGREF-VSKRKVRLSA-N	1	1	363.461	2.177	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccc(Br)cc2)C1=O	ZINC000281173827	551070627	/nfs/dbraw/zinc/07/06/27/551070627.db2.gz	AKCUWYVLBWHXFN-HUUCEWRRSA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(Br)cc2)C1=O	ZINC000281173827	551070628	/nfs/dbraw/zinc/07/06/28/551070628.db2.gz	AKCUWYVLBWHXFN-HUUCEWRRSA-N	1	1	353.260	2.201	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000281212799	551074399	/nfs/dbraw/zinc/07/43/99/551074399.db2.gz	DHPSDFTVNKAPHV-WOJBJXKFSA-N	1	1	357.498	2.145	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cc(C)ccc2Cl)C1=O	ZINC000281310680	551083454	/nfs/dbraw/zinc/08/34/54/551083454.db2.gz	KPCPNNOWFCROHD-ZBFHGGJFSA-N	1	1	352.862	2.107	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)C1=O	ZINC000281328894	551085158	/nfs/dbraw/zinc/08/51/58/551085158.db2.gz	RWHGAGWKPOWXAR-GOSISDBHSA-N	1	1	354.454	2.218	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1	ZINC000281658176	551127269	/nfs/dbraw/zinc/12/72/69/551127269.db2.gz	YWTURVOYXMMDML-AABGKKOBSA-N	1	1	357.498	2.073	20	30		FEEDMO
COCC[NH+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)CC1	ZINC000282842819	551276581	/nfs/dbraw/zinc/27/65/81/551276581.db2.gz	CSJORSCKECXPQK-UHFFFAOYSA-N	1	1	368.485	2.241	20	30		FEEDMO
COC(=O)[C@]1(C)C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C	ZINC000282959826	551289937	/nfs/dbraw/zinc/28/99/37/551289937.db2.gz	ZRCQMIIJUPGZHT-GQIGUUNPSA-N	1	1	357.454	2.453	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000282985305	551293630	/nfs/dbraw/zinc/29/36/30/551293630.db2.gz	MJQWZJUPWZSBSP-IAGOWNOFSA-N	1	1	364.515	2.062	20	30		FEEDMO
C[NH+](C)Cc1cc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)ccc1Cl	ZINC000283932686	551452514	/nfs/dbraw/zinc/45/25/14/551452514.db2.gz	FEZLXZYJTAXWCM-UHFFFAOYSA-N	1	1	374.832	2.089	20	30		FEEDMO
C[C@H](NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1	ZINC000283974831	551460362	/nfs/dbraw/zinc/46/03/62/551460362.db2.gz	LRVXGGWHSDZICE-SJORKVTESA-N	1	1	370.497	2.364	20	30		FEEDMO
COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)Cc2cccc(C#N)c2)cc1	ZINC000284010243	551467378	/nfs/dbraw/zinc/46/73/78/551467378.db2.gz	PYPWDSDEDUYJAW-IBGZPJMESA-N	1	1	373.478	2.289	20	30		FEEDMO
C[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000284507012	551565175	/nfs/dbraw/zinc/56/51/75/551565175.db2.gz	DWLLLKQULZOQAG-KRWDZBQOSA-N	1	1	364.449	2.012	20	30		FEEDMO
C#C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1)C(C)C	ZINC000284771237	551629290	/nfs/dbraw/zinc/62/92/90/551629290.db2.gz	AAVBWJHRJHCPIK-QHAWAJNXSA-N	1	1	364.493	2.410	20	30		FEEDMO
N#Cc1ccc(N2CCC(C(=O)N3CC[NH+](C4CC4)CC3)CC2)c(F)c1	ZINC000285006824	551687979	/nfs/dbraw/zinc/68/79/79/551687979.db2.gz	DNEUPCBZDXVIKW-UHFFFAOYSA-N	1	1	356.445	2.220	20	30		FEEDMO
COc1ccc(CC(N)=[NH+]OCCc2c(C)nc3sccn3c2=O)cc1	ZINC000285152146	551711995	/nfs/dbraw/zinc/71/19/95/551711995.db2.gz	MBCWKNSXJOXXDG-UHFFFAOYSA-N	1	1	372.450	2.147	20	30		FEEDMO
CC1=CC[N@@H+](CCNC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)CC1	ZINC000498833466	561535324	/nfs/dbraw/zinc/53/53/24/561535324.db2.gz	XLCOCMZVJVUORG-UHFFFAOYSA-N	1	1	368.481	2.063	20	30		FEEDMO
COc1cccc([C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)[NH+](C)C)c1	ZINC000498872748	561536501	/nfs/dbraw/zinc/53/65/01/561536501.db2.gz	JJSDPBCTXRLVDL-QGZVFWFLSA-N	1	1	365.499	2.301	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[NH+]1CCOCC1	ZINC000285607836	551782312	/nfs/dbraw/zinc/78/23/12/551782312.db2.gz	WITUBGLFSXVZME-GOSISDBHSA-N	1	1	361.461	2.448	20	30		FEEDMO
CC(C)N1CC[NH+](C2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)CC1	ZINC000285858700	551819860	/nfs/dbraw/zinc/81/98/60/551819860.db2.gz	UXTDOJYAZWKWTI-UHFFFAOYSA-N	1	1	358.461	2.328	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1	ZINC000286492371	551892323	/nfs/dbraw/zinc/89/23/23/551892323.db2.gz	VUFHENVRNAZTSB-UHFFFAOYSA-N	1	1	370.497	2.286	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1	ZINC000288322318	552133020	/nfs/dbraw/zinc/13/30/20/552133020.db2.gz	LEALLZJFDFNFRS-MRXNPFEDSA-N	1	1	357.479	2.498	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000288476216	552159852	/nfs/dbraw/zinc/15/98/52/552159852.db2.gz	PAVWNNCTXUAVMP-OIISXLGYSA-N	1	1	356.445	2.219	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2cccc3ccccc32)C1=O	ZINC000499940385	561562383	/nfs/dbraw/zinc/56/23/83/561562383.db2.gz	RPFASAAXHKXRIH-IEBWSBKVSA-N	1	1	354.450	2.298	20	30		FEEDMO
Cn1cc(C#N)c(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)n1	ZINC000289084776	552263487	/nfs/dbraw/zinc/26/34/87/552263487.db2.gz	CITYOSACBSNIQV-OAHLLOKOSA-N	1	1	359.380	2.388	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN([C@H](C#N)c3ccccc3)CC1)C2	ZINC000289369601	552308885	/nfs/dbraw/zinc/30/88/85/552308885.db2.gz	ARKZBWFXYJVVAI-AZUAARDMSA-N	1	1	363.465	2.163	20	30		FEEDMO
COc1cccc(C2([NH2+]CCS(=O)(=O)c3ccc(C#N)cn3)CC2)c1	ZINC000290021302	552415434	/nfs/dbraw/zinc/41/54/34/552415434.db2.gz	SULNTKRSBKRYLW-UHFFFAOYSA-N	1	1	357.435	2.014	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)Cc1ccccc1	ZINC000290154137	552435738	/nfs/dbraw/zinc/43/57/38/552435738.db2.gz	CNYAUCDIAAGJBN-UHFFFAOYSA-N	1	1	368.412	2.274	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1	ZINC000290175458	552438640	/nfs/dbraw/zinc/43/86/40/552438640.db2.gz	FNDFNEJTKGKBPN-OKILXGFUSA-N	1	1	360.433	2.120	20	30		FEEDMO
C[C@]1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCOC1	ZINC000500840020	561583942	/nfs/dbraw/zinc/58/39/42/561583942.db2.gz	PBKOHTAAQLBGID-HXUWFJFHSA-N	1	1	356.470	2.202	20	30		FEEDMO
C=C[C@@H](CO)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000291064824	552582718	/nfs/dbraw/zinc/58/27/18/552582718.db2.gz	RTGRAGFMJQFYAV-LSDHHAIUSA-N	1	1	357.376	2.126	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2cccn2)C1	ZINC000291846931	552667838	/nfs/dbraw/zinc/66/78/38/552667838.db2.gz	OVGRBRBCQCLZJR-IAGOWNOFSA-N	1	1	367.453	2.474	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@H](n2cccn2)C1	ZINC000291846931	552667840	/nfs/dbraw/zinc/66/78/40/552667840.db2.gz	OVGRBRBCQCLZJR-IAGOWNOFSA-N	1	1	367.453	2.474	20	30		FEEDMO
Cc1nc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)ccc1C#N	ZINC000291888119	552671938	/nfs/dbraw/zinc/67/19/38/552671938.db2.gz	JJNXTBNRYNSXAG-UHFFFAOYSA-N	1	1	351.454	2.386	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292047929	552688003	/nfs/dbraw/zinc/68/80/03/552688003.db2.gz	BBAANBFNGPZCHW-KBXCAEBGSA-N	1	1	368.412	2.250	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292047929	552688005	/nfs/dbraw/zinc/68/80/05/552688005.db2.gz	BBAANBFNGPZCHW-KBXCAEBGSA-N	1	1	368.412	2.250	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292158092	552699645	/nfs/dbraw/zinc/69/96/45/552699645.db2.gz	KRSDFJQUNURNBE-HNAYVOBHSA-N	1	1	360.433	2.145	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc(=O)oc4cc(O)ccc34)C2)nc1	ZINC000292272557	552710893	/nfs/dbraw/zinc/71/08/93/552710893.db2.gz	SGYZJRAXOJQEFJ-MRXNPFEDSA-N	1	1	363.373	2.419	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1F	ZINC000292833718	552763058	/nfs/dbraw/zinc/76/30/58/552763058.db2.gz	BOMBRGNDSKWPKV-UHFFFAOYSA-N	1	1	374.441	2.035	20	30		FEEDMO
C=C[C@H](CO)NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000292933001	552772355	/nfs/dbraw/zinc/77/23/55/552772355.db2.gz	KLXZNUUOXZKUOP-XJKCOSOUSA-N	1	1	355.841	2.318	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccsc1	ZINC000293101951	552788838	/nfs/dbraw/zinc/78/88/38/552788838.db2.gz	UHTKVTKCTDHIEI-HNNXBMFYSA-N	1	1	353.444	2.340	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(OC)c(Cl)c1	ZINC000293345205	552813752	/nfs/dbraw/zinc/81/37/52/552813752.db2.gz	KLDBMDFFPQMFSM-UHFFFAOYSA-N	1	1	372.252	2.012	20	30		FEEDMO
C=CC[N@@H+](CCC#N)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000294061688	552879012	/nfs/dbraw/zinc/87/90/12/552879012.db2.gz	XWOHOUAKNCLPNA-INIZCTEOSA-N	1	1	364.490	2.151	20	30		FEEDMO
C=CC[N@H+](CCC#N)C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000294061688	552879013	/nfs/dbraw/zinc/87/90/13/552879013.db2.gz	XWOHOUAKNCLPNA-INIZCTEOSA-N	1	1	364.490	2.151	20	30		FEEDMO
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000294291484	552894573	/nfs/dbraw/zinc/89/45/73/552894573.db2.gz	HCOAXOCZRCCTFA-LJQANCHMSA-N	1	1	373.453	2.391	20	30		FEEDMO
C=CCOc1ccc(CC(=O)NCC2CCN(CC[NH+](C)C)CC2)cc1	ZINC000294990291	552949667	/nfs/dbraw/zinc/94/96/67/552949667.db2.gz	UEGQMUIZIADYIF-UHFFFAOYSA-N	1	1	359.514	2.184	20	30		FEEDMO
CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000295103266	552959126	/nfs/dbraw/zinc/95/91/26/552959126.db2.gz	KRBPVSBYPFOZFT-QGZVFWFLSA-N	1	1	368.441	2.131	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2	ZINC000295133283	552962182	/nfs/dbraw/zinc/96/21/82/552962182.db2.gz	LHKGWPKEMRIQMG-HKUYNNGSSA-N	1	1	372.513	2.205	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)(C)C(N)=O	ZINC000295512264	553019012	/nfs/dbraw/zinc/01/90/12/553019012.db2.gz	UDZRFQTYUVYWSZ-UHFFFAOYSA-N	1	1	362.499	2.413	20	30		FEEDMO
CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1	ZINC000296013108	553089375	/nfs/dbraw/zinc/08/93/75/553089375.db2.gz	REWUEEBFBROPSJ-UHFFFAOYSA-N	1	1	354.458	2.186	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c1	ZINC000296011772	553089464	/nfs/dbraw/zinc/08/94/64/553089464.db2.gz	KGMBJBMVSAPNSJ-HNNXBMFYSA-N	1	1	357.454	2.133	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1OC	ZINC000296499433	553170430	/nfs/dbraw/zinc/17/04/30/553170430.db2.gz	SWFYNLSQYIAQSU-LNENJAERSA-N	1	1	374.481	2.236	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N1CCC([C@H](O)c2ccc(OC)cc2)CC1	ZINC000296793569	553212509	/nfs/dbraw/zinc/21/25/09/553212509.db2.gz	HQZPRYBQLGVEIM-HXUWFJFHSA-N	1	1	373.497	2.105	20	30		FEEDMO
Cc1cc(CNS(=O)(=O)CC(C)(C)CC#N)cc(N2CCCC2)[nH+]1	ZINC000296878696	553224103	/nfs/dbraw/zinc/22/41/03/553224103.db2.gz	CSQLGQCUIXUBPQ-UHFFFAOYSA-N	1	1	350.488	2.350	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC[N@H+](C2CCC2)C1	ZINC000296999158	553240529	/nfs/dbraw/zinc/24/05/29/553240529.db2.gz	JLLDNKWXJZNZGN-AWEZNQCLSA-N	1	1	365.474	2.333	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000297642504	553319551	/nfs/dbraw/zinc/31/95/51/553319551.db2.gz	IPBYIPRKNAPVFF-IBGZPJMESA-N	1	1	357.498	2.392	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000297684415	553324593	/nfs/dbraw/zinc/32/45/93/553324593.db2.gz	BAQDDYBKABNOTF-OALUTQOASA-N	1	1	355.482	2.144	20	30		FEEDMO
COC(=O)[C@]1(C)C[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1C	ZINC000503241540	561637831	/nfs/dbraw/zinc/63/78/31/561637831.db2.gz	MMTTZPQRPZLJSR-AYXOFBPESA-N	1	1	363.502	2.437	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(N2CCc3ccccc32)CC1	ZINC000503351100	561639877	/nfs/dbraw/zinc/63/98/77/561639877.db2.gz	XGXQDWCPOJDRCN-UHFFFAOYSA-N	1	1	365.481	2.169	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](CNC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccccc1	ZINC000503370525	561640207	/nfs/dbraw/zinc/64/02/07/561640207.db2.gz	IWOPYYUOCZLATD-ROUUACIJSA-N	1	1	356.470	2.441	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](CNC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccccc1	ZINC000503370525	561640208	/nfs/dbraw/zinc/64/02/08/561640208.db2.gz	IWOPYYUOCZLATD-ROUUACIJSA-N	1	1	356.470	2.441	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1	ZINC000298263758	553405306	/nfs/dbraw/zinc/40/53/06/553405306.db2.gz	GKIGFGGBOHQPKE-GOSISDBHSA-N	1	1	373.497	2.010	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)CCCn1cc[nH+]c1C	ZINC000299039170	553507228	/nfs/dbraw/zinc/50/72/28/553507228.db2.gz	IOXXZARRGHTZDJ-UHFFFAOYSA-N	1	1	368.481	2.297	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000299142868	553521079	/nfs/dbraw/zinc/52/10/79/553521079.db2.gz	AEBGAVJRWFTXQE-VQIMIIECSA-N	1	1	370.497	2.191	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C3(C#N)CCCCC3)cc2)CC1	ZINC000299146547	553521568	/nfs/dbraw/zinc/52/15/68/553521568.db2.gz	WLHHRVRYQGQFDQ-UHFFFAOYSA-N	1	1	368.481	2.164	20	30		FEEDMO
C[N@@H+](CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)Cc1ccccc1	ZINC000504095142	561653230	/nfs/dbraw/zinc/65/32/30/561653230.db2.gz	PJSHAJNAJGPONN-HXUWFJFHSA-N	1	1	359.470	2.496	20	30		FEEDMO
COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000299244165	553535949	/nfs/dbraw/zinc/53/59/49/553535949.db2.gz	WJRSRVIFQKCUBI-KRWDZBQOSA-N	1	1	356.422	2.447	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1	ZINC000299298227	553544260	/nfs/dbraw/zinc/54/42/60/553544260.db2.gz	ACQWAOMZEQACCT-BEFAXECRSA-N	1	1	354.458	2.315	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1	ZINC000504055197	561652490	/nfs/dbraw/zinc/65/24/90/561652490.db2.gz	NLZQLFMQCYZBSK-UHFFFAOYSA-N	1	1	373.497	2.049	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000299452309	553565084	/nfs/dbraw/zinc/56/50/84/553565084.db2.gz	SGLJFNRMNVEMMI-CSNZLDBMSA-N	1	1	359.470	2.381	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N=c1[nH]n(C)cc1C#N	ZINC000602881980	553658824	/nfs/dbraw/zinc/65/88/24/553658824.db2.gz	MYGIOLUAMMVGRT-YOEHRIQHSA-N	1	1	352.442	2.181	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N=c1[nH]n(C)cc1C#N	ZINC000602881980	553658827	/nfs/dbraw/zinc/65/88/27/553658827.db2.gz	MYGIOLUAMMVGRT-YOEHRIQHSA-N	1	1	352.442	2.181	20	30		FEEDMO
C[C@](O)(CNc1c(C#N)cnc2ccc(Cl)cc21)C[NH+]1CCOCC1	ZINC000301734909	553674988	/nfs/dbraw/zinc/67/49/88/553674988.db2.gz	ATKPJJCLAUMCJM-SFHVURJKSA-N	1	1	360.845	2.255	20	30		FEEDMO
Cc1cc(F)cc2c1ncc(C#N)c2NC[C@@](C)(O)C[NH+]1CCOCC1	ZINC000301756165	553676924	/nfs/dbraw/zinc/67/69/24/553676924.db2.gz	KUCFHEVWTZGPBG-LJQANCHMSA-N	1	1	358.417	2.049	20	30		FEEDMO
C[C@H]1[C@@H](NS(=O)(=O)c2ccccc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000310778481	553754027	/nfs/dbraw/zinc/75/40/27/553754027.db2.gz	OGQXOJRRJUCKKE-YJBOKZPZSA-N	1	1	355.463	2.500	20	30		FEEDMO
C[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000310778478	553754481	/nfs/dbraw/zinc/75/44/81/553754481.db2.gz	OGQXOJRRJUCKKE-QAPCUYQASA-N	1	1	355.463	2.500	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1	ZINC000328255225	553793771	/nfs/dbraw/zinc/79/37/71/553793771.db2.gz	CDPZBGQIKPDYCD-QRVBRYPASA-N	1	1	362.495	2.347	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1	ZINC000328255225	553793773	/nfs/dbraw/zinc/79/37/73/553793773.db2.gz	CDPZBGQIKPDYCD-QRVBRYPASA-N	1	1	362.495	2.347	20	30		FEEDMO
CCNC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1	ZINC000328615944	553796796	/nfs/dbraw/zinc/79/67/96/553796796.db2.gz	SBOOREDHGQPUSY-RDJZCZTQSA-N	1	1	365.522	2.295	20	30		FEEDMO
C[C@@H]1C[C@H](C)[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)O1	ZINC000328638071	553800165	/nfs/dbraw/zinc/80/01/65/553800165.db2.gz	BGKVOMGQBLERKS-HCZIRCDUSA-N	1	1	365.453	2.229	20	30		FEEDMO
CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1	ZINC000328645240	553801182	/nfs/dbraw/zinc/80/11/82/553801182.db2.gz	ASPSJGUBENJCDM-JKSUJKDBSA-N	1	1	359.536	2.125	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(C(=O)C2CCCCC2)CC1	ZINC000328829279	553829673	/nfs/dbraw/zinc/82/96/73/553829673.db2.gz	UBCXPOHWIQTUBJ-MSOLQXFVSA-N	1	1	362.518	2.252	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CCCO1	ZINC000328842264	553831169	/nfs/dbraw/zinc/83/11/69/553831169.db2.gz	IAGBWHPXBVYQLK-INIZCTEOSA-N	1	1	359.470	2.093	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@](O)(Cn2ccnn2)C1)N[C@@H]1CCCc2ccccc21	ZINC000328925110	553845694	/nfs/dbraw/zinc/84/56/94/553845694.db2.gz	DRTCWSDHDYGERF-UYAOXDASSA-N	1	1	369.469	2.139	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1)N[C@@H]1CCCc2ccccc21	ZINC000328925110	553845702	/nfs/dbraw/zinc/84/57/02/553845702.db2.gz	DRTCWSDHDYGERF-UYAOXDASSA-N	1	1	369.469	2.139	20	30		FEEDMO
CC(C)[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C1CCC1)[NH+]1CCOCC1	ZINC000328927620	553846415	/nfs/dbraw/zinc/84/64/15/553846415.db2.gz	XGBMGZDZFJJFPK-HOTGVXAUSA-N	1	1	369.531	2.001	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@@H]1C	ZINC000328936591	553848375	/nfs/dbraw/zinc/84/83/75/553848375.db2.gz	CQRSBSJTRSPHKR-IRXDYDNUSA-N	1	1	359.518	2.375	20	30		FEEDMO
CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCN(Cc3ccncc3)CC2)C[C@@H]1C	ZINC000328936591	553848377	/nfs/dbraw/zinc/84/83/77/553848377.db2.gz	CQRSBSJTRSPHKR-IRXDYDNUSA-N	1	1	359.518	2.375	20	30		FEEDMO
C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000328938659	553849060	/nfs/dbraw/zinc/84/90/60/553849060.db2.gz	DMLMJBNKJDSMDJ-QKLQHJQFSA-N	1	1	368.437	2.360	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1	ZINC000328961179	553853278	/nfs/dbraw/zinc/85/32/78/553853278.db2.gz	PYHNBIMUYZLFSV-SFHVURJKSA-N	1	1	364.534	2.294	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000328994872	553861049	/nfs/dbraw/zinc/86/10/49/553861049.db2.gz	JLBTUCGQOBYGDX-YYFZDKIDSA-N	1	1	373.501	2.446	20	30		FEEDMO
N#Cc1cccc(F)c1CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000506035005	561687798	/nfs/dbraw/zinc/68/77/98/561687798.db2.gz	LYUCRTCXUUAQFU-UHFFFAOYSA-N	1	1	367.424	2.388	20	30		FEEDMO
CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC12CCCCC2	ZINC000329008395	553863000	/nfs/dbraw/zinc/86/30/00/553863000.db2.gz	ZQKHKOUBNCDWLA-QZTJIDSGSA-N	1	1	362.518	2.394	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000329033551	553868492	/nfs/dbraw/zinc/86/84/92/553868492.db2.gz	MBORQLRGAVICRH-JJTUDDRGSA-N	1	1	366.506	2.229	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000329033551	553868495	/nfs/dbraw/zinc/86/84/95/553868495.db2.gz	MBORQLRGAVICRH-JJTUDDRGSA-N	1	1	366.506	2.229	20	30		FEEDMO
CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]3COCCN3C)CC2)cs1	ZINC000329038977	553869432	/nfs/dbraw/zinc/86/94/32/553869432.db2.gz	SETNSBCICWYQRM-MRXNPFEDSA-N	1	1	366.531	2.205	20	30		FEEDMO
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1CC[NH+](C2CC2)CC1	ZINC000329047609	553871393	/nfs/dbraw/zinc/87/13/93/553871393.db2.gz	QFPLJAKGUJYMAV-SFHVURJKSA-N	1	1	358.486	2.021	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](c4nc(C5CC5)no4)C3)C2=O)cc1	ZINC000329072947	553875554	/nfs/dbraw/zinc/87/55/54/553875554.db2.gz	ZTOAFGLVHAXPQZ-RDJZCZTQSA-N	1	1	363.421	2.413	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](c4nc(C5CC5)no4)C3)C2=O)cc1	ZINC000329072947	553875556	/nfs/dbraw/zinc/87/55/56/553875556.db2.gz	ZTOAFGLVHAXPQZ-RDJZCZTQSA-N	1	1	363.421	2.413	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C	ZINC000329144563	553889188	/nfs/dbraw/zinc/88/91/88/553889188.db2.gz	WJOKFWNGJAJYBW-QEOTZNIISA-N	1	1	363.506	2.120	20	30		FEEDMO
CCOc1cccc(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)n1	ZINC000329164143	553893159	/nfs/dbraw/zinc/89/31/59/553893159.db2.gz	GTEFYMUHVIUYSO-IAGOWNOFSA-N	1	1	373.501	2.143	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000506402245	561698128	/nfs/dbraw/zinc/69/81/28/561698128.db2.gz	IMXRPHPKWBRCST-DNVCBOLYSA-N	1	1	362.433	2.448	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2	ZINC000329334284	553927214	/nfs/dbraw/zinc/92/72/14/553927214.db2.gz	KRRZIKLCMAGBAE-IAGOWNOFSA-N	1	1	374.533	2.294	20	30		FEEDMO
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCOCC2(CCOCC2)C1	ZINC000329566637	553968473	/nfs/dbraw/zinc/96/84/73/553968473.db2.gz	OVZSMYRHRSWLLT-OAHLLOKOSA-N	1	1	350.463	2.142	20	30		FEEDMO
Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCOCC2(CCOCC2)C1	ZINC000329566637	553968475	/nfs/dbraw/zinc/96/84/75/553968475.db2.gz	OVZSMYRHRSWLLT-OAHLLOKOSA-N	1	1	350.463	2.142	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1	ZINC000329582172	553971248	/nfs/dbraw/zinc/97/12/48/553971248.db2.gz	XHSGEJDDCZVFRX-OAHLLOKOSA-N	1	1	357.520	2.164	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2cn(C)nc2C2CC2)C[C@@H](C)O1	ZINC000329598258	553974572	/nfs/dbraw/zinc/97/45/72/553974572.db2.gz	DCDNWCSQKDEZSJ-FMKPAKJESA-N	1	1	361.490	2.417	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1	ZINC000329632889	553980485	/nfs/dbraw/zinc/98/04/85/553980485.db2.gz	WLBAEYUXEAFWDJ-QLFBSQMISA-N	1	1	363.462	2.456	20	30		FEEDMO
C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000329644880	553981450	/nfs/dbraw/zinc/98/14/50/553981450.db2.gz	ZIPBWHVVAZIZER-MRXNPFEDSA-N	1	1	371.547	2.208	20	30		FEEDMO
C[C@H](c1nccs1)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1	ZINC000329802843	554008489	/nfs/dbraw/zinc/00/84/89/554008489.db2.gz	KSMORKVYSOQSRK-OAGGEKHMSA-N	1	1	363.531	2.363	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncnc4ccsc43)CC2)CC[N@H+]1C	ZINC000329806251	554009039	/nfs/dbraw/zinc/00/90/39/554009039.db2.gz	NSDATBOUZVRDTA-ZIAGYGMSSA-N	1	1	374.514	2.210	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(S(C)(=O)=O)s1	ZINC000329882366	554024046	/nfs/dbraw/zinc/02/40/46/554024046.db2.gz	PVPGEYATDQZADF-CHWSQXEVSA-N	1	1	371.528	2.124	20	30		FEEDMO
CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000507354830	561725993	/nfs/dbraw/zinc/72/59/93/561725993.db2.gz	DYCBOIVSWZLJEM-MRXNPFEDSA-N	1	1	370.497	2.047	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)C12CCOCC2	ZINC000329990143	554045194	/nfs/dbraw/zinc/04/51/94/554045194.db2.gz	VXEXYBQMFOWOPS-LUKYLMHMSA-N	1	1	353.507	2.289	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)C[C@H]1C	ZINC000330048902	554055136	/nfs/dbraw/zinc/05/51/36/554055136.db2.gz	KJJFKSNBBGMDSU-IKGGRYGDSA-N	1	1	353.507	2.169	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)CC1	ZINC000330096298	554063960	/nfs/dbraw/zinc/06/39/60/554063960.db2.gz	XCWLLOQUQKDVIG-RLLQIKCJSA-N	1	1	369.513	2.157	20	30		FEEDMO
Cc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1N1CCNC1=O	ZINC000330206285	554084930	/nfs/dbraw/zinc/08/49/30/554084930.db2.gz	DDLHZMJKSKVHES-JKSUJKDBSA-N	1	1	357.458	2.491	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1CCN(C(=O)C(C)C)CC1	ZINC000330241360	554091768	/nfs/dbraw/zinc/09/17/68/554091768.db2.gz	WEFOLTSBPWCRPJ-UHFFFAOYSA-N	1	1	372.473	2.174	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCOC3(CCOCC3)C2)C1	ZINC000330271482	554097257	/nfs/dbraw/zinc/09/72/57/554097257.db2.gz	VZTVBCGAPSLJGW-SJORKVTESA-N	1	1	353.507	2.339	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCc1ccccn1	ZINC000330319487	554104543	/nfs/dbraw/zinc/10/45/43/554104543.db2.gz	DGKRBJHTJDBDPZ-MAUKXSAKSA-N	1	1	356.474	2.244	20	30		FEEDMO
CCC(=O)N[C@@H]1CCCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1	ZINC000330482316	554127160	/nfs/dbraw/zinc/12/71/60/554127160.db2.gz	RGTGKXZHZDJBBC-HZPDHXFCSA-N	1	1	352.523	2.402	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1C(F)F	ZINC000330599163	554143329	/nfs/dbraw/zinc/14/33/29/554143329.db2.gz	ZZCCOQOEGLJQHO-STQMWFEESA-N	1	1	373.448	2.409	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1C(F)F	ZINC000330599163	554143330	/nfs/dbraw/zinc/14/33/30/554143330.db2.gz	ZZCCOQOEGLJQHO-STQMWFEESA-N	1	1	373.448	2.409	20	30		FEEDMO
CC(C)(C)C(=O)N1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C(C)(C)C1	ZINC000330688468	554157186	/nfs/dbraw/zinc/15/71/86/554157186.db2.gz	OFWAVHZZOMSXJD-KRWDZBQOSA-N	1	1	373.497	2.267	20	30		FEEDMO
CC(C)(C)C(=O)N1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C(C)(C)C1	ZINC000330688468	554157189	/nfs/dbraw/zinc/15/71/89/554157189.db2.gz	OFWAVHZZOMSXJD-KRWDZBQOSA-N	1	1	373.497	2.267	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000330707650	554161013	/nfs/dbraw/zinc/16/10/13/554161013.db2.gz	MGZVOBIMDTVYOR-OAHLLOKOSA-N	1	1	353.488	2.116	20	30		FEEDMO
CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1	ZINC000330830792	554176875	/nfs/dbraw/zinc/17/68/75/554176875.db2.gz	UOLQGNDNCZQXFP-BRWVUGGUSA-N	1	1	352.523	2.305	20	30		FEEDMO
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C	ZINC000330895579	554184720	/nfs/dbraw/zinc/18/47/20/554184720.db2.gz	SBRQSRONVZTJJA-KGLIPLIRSA-N	1	1	362.474	2.357	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1	ZINC000330945875	554192346	/nfs/dbraw/zinc/19/23/46/554192346.db2.gz	AHUXIZOFIQSXEB-LLVKDONJSA-N	1	1	354.382	2.056	20	30		FEEDMO
COC(=O)c1ccc(C)c(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1	ZINC000331004589	554199917	/nfs/dbraw/zinc/19/99/17/554199917.db2.gz	YPEFSKQVUCEHEU-CQSZACIVSA-N	1	1	363.458	2.104	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(NC(=O)NC(C)C)CCCCC2)C1	ZINC000331009223	554200471	/nfs/dbraw/zinc/20/04/71/554200471.db2.gz	RJTUBLQFKSYYHU-INIZCTEOSA-N	1	1	352.523	2.402	20	30		FEEDMO
CC[C@H](C)n1ncc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)c1C	ZINC000331132719	554218707	/nfs/dbraw/zinc/21/87/07/554218707.db2.gz	PHPTZCAYSAVYFP-SQWLQELKSA-N	1	1	351.495	2.485	20	30		FEEDMO
CC[C@@H](C)n1ncc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1C	ZINC000331168567	554224855	/nfs/dbraw/zinc/22/48/55/554224855.db2.gz	YWFBMSQLGJQLER-ZIAGYGMSSA-N	1	1	351.495	2.485	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(NC(=O)Nc2c(Cl)ccc(C)c2C)CC1	ZINC000331242263	554235509	/nfs/dbraw/zinc/23/55/09/554235509.db2.gz	NKWMFXWFHVWAOQ-UHFFFAOYSA-N	1	1	352.866	2.493	20	30		FEEDMO
O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cc(Br)ccc1O	ZINC000331316059	554246597	/nfs/dbraw/zinc/24/65/97/554246597.db2.gz	JDDXTUFOYXZZRD-GFCCVEGCSA-N	1	1	357.248	2.306	20	30		FEEDMO
O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cc1O	ZINC000331329596	554247930	/nfs/dbraw/zinc/24/79/30/554247930.db2.gz	OCUCMOHUINDZQL-LBPRGKRZSA-N	1	1	357.248	2.306	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000331406979	554259291	/nfs/dbraw/zinc/25/92/91/554259291.db2.gz	ULXFKLDGWZOOSU-RDJZCZTQSA-N	1	1	354.454	2.220	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000331464569	554268854	/nfs/dbraw/zinc/26/88/54/554268854.db2.gz	ZPODWZKHHWJYPG-QGZVFWFLSA-N	1	1	355.486	2.122	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000331480086	554271286	/nfs/dbraw/zinc/27/12/86/554271286.db2.gz	JKTCDFSOASWRFK-YGRLFVJLSA-N	1	1	373.400	2.338	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000332222219	554403742	/nfs/dbraw/zinc/40/37/42/554403742.db2.gz	AULPOQYXRLCEMT-KGLIPLIRSA-N	1	1	373.400	2.482	20	30		FEEDMO
C=CC[C@H]1[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)CCCC1(C)C	ZINC000332524679	554462660	/nfs/dbraw/zinc/46/26/60/554462660.db2.gz	DLXKXLHLACUILX-QGZVFWFLSA-N	1	1	357.502	2.192	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)[nH]1	ZINC000610565593	554530822	/nfs/dbraw/zinc/53/08/22/554530822.db2.gz	ZMVOCLGLYPBDHN-UHFFFAOYSA-N	1	1	366.469	2.464	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)[nH]1	ZINC000610565593	554530823	/nfs/dbraw/zinc/53/08/23/554530823.db2.gz	ZMVOCLGLYPBDHN-UHFFFAOYSA-N	1	1	366.469	2.464	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC34CCOCC4)CC2)cc1	ZINC000333189607	554586452	/nfs/dbraw/zinc/58/64/52/554586452.db2.gz	NTZRVUZKZXJBCI-IBGZPJMESA-N	1	1	368.481	2.345	20	30		FEEDMO
N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@@H](N2CC[NH2+]CC2=O)C1	ZINC000333923777	554656436	/nfs/dbraw/zinc/65/64/36/554656436.db2.gz	SOPXCVDSDZGZRK-OAHLLOKOSA-N	1	1	369.856	2.160	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O	ZINC000348512058	554687565	/nfs/dbraw/zinc/68/75/65/554687565.db2.gz	NDDHHQMYUGPATG-SZMVWBNQSA-N	1	1	357.454	2.163	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000348979454	554706984	/nfs/dbraw/zinc/70/69/84/554706984.db2.gz	WVCLFNZZSGOPRK-OALUTQOASA-N	1	1	371.481	2.412	20	30		FEEDMO
COc1cc(C#N)ccc1OCc1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1	ZINC000350348287	554781801	/nfs/dbraw/zinc/78/18/01/554781801.db2.gz	GFGQEWDYZGXMHB-VQIMIIECSA-N	1	1	370.409	2.455	20	30		FEEDMO
COc1cc(C#N)ccc1OCc1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1	ZINC000350348287	554781802	/nfs/dbraw/zinc/78/18/02/554781802.db2.gz	GFGQEWDYZGXMHB-VQIMIIECSA-N	1	1	370.409	2.455	20	30		FEEDMO
COc1cc(C#N)ccc1OCc1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1	ZINC000350348284	554781808	/nfs/dbraw/zinc/78/18/08/554781808.db2.gz	GFGQEWDYZGXMHB-APWZRJJASA-N	1	1	370.409	2.455	20	30		FEEDMO
COc1cc(C#N)ccc1OCc1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1	ZINC000350348284	554781809	/nfs/dbraw/zinc/78/18/09/554781809.db2.gz	GFGQEWDYZGXMHB-APWZRJJASA-N	1	1	370.409	2.455	20	30		FEEDMO
N#CCCN(C(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1	ZINC000360925872	554895169	/nfs/dbraw/zinc/89/51/69/554895169.db2.gz	HQHKOEAWDBZGNQ-MISYRCLQSA-N	1	1	352.482	2.349	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1	ZINC000361989467	554942394	/nfs/dbraw/zinc/94/23/94/554942394.db2.gz	GXDHKUNSPMWSEP-KRWDZBQOSA-N	1	1	352.523	2.317	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1	ZINC000361989467	554942396	/nfs/dbraw/zinc/94/23/96/554942396.db2.gz	GXDHKUNSPMWSEP-KRWDZBQOSA-N	1	1	352.523	2.317	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)C1(C#N)CCCCC1	ZINC000511643179	561875963	/nfs/dbraw/zinc/87/59/63/561875963.db2.gz	YVCSBZDKOPRXFZ-KBPBESRZSA-N	1	1	361.408	2.164	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)C1(C#N)CCCCC1	ZINC000511643179	561875964	/nfs/dbraw/zinc/87/59/64/561875964.db2.gz	YVCSBZDKOPRXFZ-KBPBESRZSA-N	1	1	361.408	2.164	20	30		FEEDMO
C=CCN(C(=O)CCCS(C)(=O)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363004459	555007836	/nfs/dbraw/zinc/00/78/36/555007836.db2.gz	CDFVWOVCDJUBAD-GOSISDBHSA-N	1	1	364.511	2.100	20	30		FEEDMO
C=CCN(C(=O)CCCS(C)(=O)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363004459	555007838	/nfs/dbraw/zinc/00/78/38/555007838.db2.gz	CDFVWOVCDJUBAD-GOSISDBHSA-N	1	1	364.511	2.100	20	30		FEEDMO
CCc1nc(CN2CCC[C@H]([N@@H+](C)CCOc3cccc(C#N)c3)C2)no1	ZINC000363077240	555025090	/nfs/dbraw/zinc/02/50/90/555025090.db2.gz	KLTUETFDJWLTEU-KRWDZBQOSA-N	1	1	369.469	2.479	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](n2cnc3ccccc32)C1)C1CC1	ZINC000363080888	555025946	/nfs/dbraw/zinc/02/59/46/555025946.db2.gz	BVZWODYDVBABJF-UZLBHIALSA-N	1	1	351.454	2.482	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](n2cnc3ccccc32)C1)C1CC1	ZINC000363080888	555025948	/nfs/dbraw/zinc/02/59/48/555025948.db2.gz	BVZWODYDVBABJF-UZLBHIALSA-N	1	1	351.454	2.482	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](n2cnc3ccccc32)C1)C1CC1	ZINC000363080885	555026164	/nfs/dbraw/zinc/02/61/64/555026164.db2.gz	BVZWODYDVBABJF-JXFKEZNVSA-N	1	1	351.454	2.482	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](n2cnc3ccccc32)C1)C1CC1	ZINC000363080885	555026165	/nfs/dbraw/zinc/02/61/65/555026165.db2.gz	BVZWODYDVBABJF-JXFKEZNVSA-N	1	1	351.454	2.482	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](n2cnc3ccccc32)C1)C1CC1	ZINC000363080887	555026192	/nfs/dbraw/zinc/02/61/92/555026192.db2.gz	BVZWODYDVBABJF-OXQOHEQNSA-N	1	1	351.454	2.482	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](n2cnc3ccccc32)C1)C1CC1	ZINC000363080887	555026194	/nfs/dbraw/zinc/02/61/94/555026194.db2.gz	BVZWODYDVBABJF-OXQOHEQNSA-N	1	1	351.454	2.482	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)C1	ZINC000363207162	555053662	/nfs/dbraw/zinc/05/36/62/555053662.db2.gz	YDDALHOYCTYZBC-GASCZTMLSA-N	1	1	362.499	2.084	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1	ZINC000363250081	555063477	/nfs/dbraw/zinc/06/34/77/555063477.db2.gz	ISJXMYASEGCKLY-YJBOKZPZSA-N	1	1	367.474	2.477	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1	ZINC000363473444	555114603	/nfs/dbraw/zinc/11/46/03/555114603.db2.gz	BKTOSQJHMDNWMN-IAGOWNOFSA-N	1	1	360.502	2.194	20	30		FEEDMO
C=CCN(C[C@@H](O)COC1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363629734	555150484	/nfs/dbraw/zinc/15/04/84/555150484.db2.gz	FIKCLUSUWCPZEL-LEWJYISDSA-N	1	1	374.525	2.305	20	30		FEEDMO
C=CC[N@@H+](C[C@@H](O)COC1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000363629734	555150485	/nfs/dbraw/zinc/15/04/85/555150485.db2.gz	FIKCLUSUWCPZEL-LEWJYISDSA-N	1	1	374.525	2.305	20	30		FEEDMO
C=CC[N@H+](C[C@@H](O)COC1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000363629734	555150486	/nfs/dbraw/zinc/15/04/86/555150486.db2.gz	FIKCLUSUWCPZEL-LEWJYISDSA-N	1	1	374.525	2.305	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccc3F)CC2)cn1	ZINC000363634338	555151198	/nfs/dbraw/zinc/15/11/98/555151198.db2.gz	UNZQFSYBONAOLJ-UHFFFAOYSA-N	1	1	374.441	2.035	20	30		FEEDMO
N#Cc1ccc(N2CCC[N@H+]([C@H](Cc3ccc(F)cc3)C(N)=O)CC2)cc1	ZINC000363668322	555160177	/nfs/dbraw/zinc/16/01/77/555160177.db2.gz	DLTJZHVLWMBFIV-HXUWFJFHSA-N	1	1	366.440	2.306	20	30		FEEDMO
Cc1ccc(OC2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)nc1	ZINC000363677877	555162104	/nfs/dbraw/zinc/16/21/04/555162104.db2.gz	SLUFXWCKNLWTGH-UHFFFAOYSA-N	1	1	364.449	2.421	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@H+]1C	ZINC000363716435	555170650	/nfs/dbraw/zinc/17/06/50/555170650.db2.gz	RPILFCVJTAAFNF-UKRRQHHQSA-N	1	1	370.432	2.829	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)CCO1	ZINC000512135321	561893556	/nfs/dbraw/zinc/89/35/56/561893556.db2.gz	IHNLBSWNBDHQIJ-HNNXBMFYSA-N	1	1	371.456	2.441	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](n3cncn3)C2)c1	ZINC000364490939	555323022	/nfs/dbraw/zinc/32/30/22/555323022.db2.gz	BFFKKVPXJFPBIP-ZWKOTPCHSA-N	1	1	366.469	2.477	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](n3cncn3)C2)c1	ZINC000364490939	555323025	/nfs/dbraw/zinc/32/30/25/555323025.db2.gz	BFFKKVPXJFPBIP-ZWKOTPCHSA-N	1	1	366.469	2.477	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccccc1OCC#N	ZINC000364567251	555340344	/nfs/dbraw/zinc/34/03/44/555340344.db2.gz	ZDODKZJDXZUHIH-RYRKJORJSA-N	1	1	357.454	2.208	20	30		FEEDMO
C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCN(S(C)(=O)=O)C1	ZINC000512506055	561907904	/nfs/dbraw/zinc/90/79/04/561907904.db2.gz	GNPAXZDTDAKJOZ-MRXNPFEDSA-N	1	1	354.520	2.124	20	30		FEEDMO
C[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(C#N)cc1F	ZINC000512615634	561910321	/nfs/dbraw/zinc/91/03/21/561910321.db2.gz	ZVZGUMNGFWTZCR-AWEZNQCLSA-N	1	1	361.442	2.468	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)cc1OC	ZINC000364930017	555440800	/nfs/dbraw/zinc/44/08/00/555440800.db2.gz	CUWIFKWKRWEGLI-LKUPDRCFSA-N	1	1	374.481	2.188	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1	ZINC000365155292	555496924	/nfs/dbraw/zinc/49/69/24/555496924.db2.gz	YBEIZUWUZVZPDX-PKOBYXMFSA-N	1	1	368.481	2.456	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O	ZINC000366422017	555839086	/nfs/dbraw/zinc/83/90/86/555839086.db2.gz	REDAJGBQNGFKNY-MRXNPFEDSA-N	1	1	366.483	2.235	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O	ZINC000366422017	555839088	/nfs/dbraw/zinc/83/90/88/555839088.db2.gz	REDAJGBQNGFKNY-MRXNPFEDSA-N	1	1	366.483	2.235	20	30		FEEDMO
CN(C(=O)c1cc(C#N)ccc1Cl)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000367586397	556090019	/nfs/dbraw/zinc/09/00/19/556090019.db2.gz	OVQRFJRWESIMTF-MRXNPFEDSA-N	1	1	360.889	2.452	20	30		FEEDMO
CN(C(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000367586397	556090021	/nfs/dbraw/zinc/09/00/21/556090021.db2.gz	OVQRFJRWESIMTF-MRXNPFEDSA-N	1	1	360.889	2.452	20	30		FEEDMO
CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N	ZINC000367833908	556150524	/nfs/dbraw/zinc/15/05/24/556150524.db2.gz	TVWDPIADEGXJLL-AWEZNQCLSA-N	1	1	369.512	2.238	20	30		FEEDMO
CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N	ZINC000367833908	556150526	/nfs/dbraw/zinc/15/05/26/556150526.db2.gz	TVWDPIADEGXJLL-AWEZNQCLSA-N	1	1	369.512	2.238	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC(C)(C)C1	ZINC000515043878	561993409	/nfs/dbraw/zinc/99/34/09/561993409.db2.gz	YGNVOSXYWZTLBZ-UHFFFAOYSA-N	1	1	359.474	2.014	20	30		FEEDMO
N#Cc1cc(NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc(N)c1[N+](=O)[O-]	ZINC000368547147	556341552	/nfs/dbraw/zinc/34/15/52/556341552.db2.gz	ZYXZAMLETIILLY-SJORKVTESA-N	1	1	367.409	2.096	20	30		FEEDMO
CNC(=O)CN1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1	ZINC000368828010	556424236	/nfs/dbraw/zinc/42/42/36/556424236.db2.gz	CPTMJXXRHACOLD-UHFFFAOYSA-N	1	1	362.477	2.479	20	30		FEEDMO
N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1	ZINC000368884086	556438675	/nfs/dbraw/zinc/43/86/75/556438675.db2.gz	NYZDTHWUPSVLOY-MSOLQXFVSA-N	1	1	353.470	2.017	20	30		FEEDMO
COc1ccc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1OCCCC#N	ZINC000369037127	556484316	/nfs/dbraw/zinc/48/43/16/556484316.db2.gz	VEFFQLLLJRLZJY-ROUUACIJSA-N	1	1	359.470	2.331	20	30		FEEDMO
COc1ccc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc1OCCCC#N	ZINC000369037127	556484317	/nfs/dbraw/zinc/48/43/17/556484317.db2.gz	VEFFQLLLJRLZJY-ROUUACIJSA-N	1	1	359.470	2.331	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC([NH+]2CCN(CCC)CC2)CC1	ZINC000369154344	556518702	/nfs/dbraw/zinc/51/87/02/556518702.db2.gz	HQSYTAQKNZHLPQ-LJQANCHMSA-N	1	1	362.562	2.068	20	30		FEEDMO
N#Cc1cccc(CCNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1	ZINC000369161852	556521865	/nfs/dbraw/zinc/52/18/65/556521865.db2.gz	GCRVZOJYFZDGAO-RTBURBONSA-N	1	1	356.470	2.043	20	30		FEEDMO
COc1ccnc(N2CCC[N@@H+](CCCC3(C#N)CCOCC3)CC2)n1	ZINC000369191912	556530733	/nfs/dbraw/zinc/53/07/33/556530733.db2.gz	CNPLLBBCPBFFOU-UHFFFAOYSA-N	1	1	359.474	2.098	20	30		FEEDMO
Cn1cc([C@@H]2[C@@H](CNC(=O)Nc3ccc(C#N)cc3)CCC[N@H+]2C)cn1	ZINC000369421570	556596838	/nfs/dbraw/zinc/59/68/38/556596838.db2.gz	ORHJPKDQRDXZDC-QAPCUYQASA-N	1	1	352.442	2.496	20	30		FEEDMO
Cn1c(CC[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)nc2ccccc21	ZINC000369515851	556616900	/nfs/dbraw/zinc/61/69/00/556616900.db2.gz	JVWIPNNBWYUCCU-NYHFZMIOSA-N	1	1	371.444	2.461	20	30		FEEDMO
Cn1c(CC[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)nc2ccccc21	ZINC000369515851	556616904	/nfs/dbraw/zinc/61/69/04/556616904.db2.gz	JVWIPNNBWYUCCU-NYHFZMIOSA-N	1	1	371.444	2.461	20	30		FEEDMO
C[NH+](C)[C@]1(C(=O)NCc2ccc(OCC#N)cc2)CCOc2ccccc21	ZINC000369600551	556643618	/nfs/dbraw/zinc/64/36/18/556643618.db2.gz	RWLNYACHSORUMB-OAQYLSRUSA-N	1	1	365.433	2.445	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3cnc(C#N)c(Cl)c3)CC2)cn1	ZINC000516251149	562037345	/nfs/dbraw/zinc/03/73/45/562037345.db2.gz	OJCFYJPMUJCEQB-UHFFFAOYSA-N	1	1	373.848	2.080	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)Nc3cnc(C#N)c(Cl)c3)CC2)cn1	ZINC000516251149	562037346	/nfs/dbraw/zinc/03/73/46/562037346.db2.gz	OJCFYJPMUJCEQB-UHFFFAOYSA-N	1	1	373.848	2.080	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000369936299	556735713	/nfs/dbraw/zinc/73/57/13/556735713.db2.gz	KTAIAEOTCHCUAF-SFHVURJKSA-N	1	1	366.469	2.190	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000369937511	556735730	/nfs/dbraw/zinc/73/57/30/556735730.db2.gz	QHKVJQYGOVRGSE-HKUYNNGSSA-N	1	1	369.513	2.326	20	30		FEEDMO
C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000369958340	556741353	/nfs/dbraw/zinc/74/13/53/556741353.db2.gz	LDIGBKQXOFVZHK-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000369958340	556741355	/nfs/dbraw/zinc/74/13/55/556741355.db2.gz	LDIGBKQXOFVZHK-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000370237607	556818690	/nfs/dbraw/zinc/81/86/90/556818690.db2.gz	ZMNZJEPXAOLGAL-IKGGRYGDSA-N	1	1	372.494	2.200	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000370237607	556818691	/nfs/dbraw/zinc/81/86/91/556818691.db2.gz	ZMNZJEPXAOLGAL-IKGGRYGDSA-N	1	1	372.494	2.200	20	30		FEEDMO
Cc1c[nH+]ccc1N1CCC(C(=O)N=c2[nH]n(C(C)C)cc2C#N)CC1	ZINC000370424122	556868290	/nfs/dbraw/zinc/86/82/90/556868290.db2.gz	LTMPJJZTOAUWCZ-UHFFFAOYSA-N	1	1	352.442	2.894	20	30		FEEDMO
N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@H]3[C@H](C2)C[N@H+]2CCCC[C@@H]32)c1	ZINC000370440281	556873687	/nfs/dbraw/zinc/87/36/87/556873687.db2.gz	WVDVRRNAKLHDSX-DZKIICNBSA-N	1	1	365.886	2.316	20	30		FEEDMO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[N@H+](CC)CCC)c1	ZINC000516824788	562059391	/nfs/dbraw/zinc/05/93/91/562059391.db2.gz	UMLRGIZHAUGNQB-HNNXBMFYSA-N	1	1	367.515	2.001	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1C#N	ZINC000370910044	557011714	/nfs/dbraw/zinc/01/17/14/557011714.db2.gz	YTFFKVPCQDDSSY-IRXDYDNUSA-N	1	1	358.442	2.330	20	30		FEEDMO
C=CCSCCNC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000371182873	557100169	/nfs/dbraw/zinc/10/01/69/557100169.db2.gz	GIWYXXQWXYCUNP-UHFFFAOYSA-N	1	1	354.564	2.106	20	30		FEEDMO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCC(=O)Nc1ccc(C#N)cc1	ZINC000371288877	557132904	/nfs/dbraw/zinc/13/29/04/557132904.db2.gz	GAZCETFJHJGKTE-QYZOEREBSA-N	1	1	356.470	2.070	20	30		FEEDMO
COc1ccnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3OC)CC2)n1	ZINC000371353343	557157862	/nfs/dbraw/zinc/15/78/62/557157862.db2.gz	NFBLGRLPKBQGFS-UHFFFAOYSA-N	1	1	353.426	2.078	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC4(CCOC4=O)CC3)C2=O)cc1	ZINC000371493068	557198782	/nfs/dbraw/zinc/19/87/82/557198782.db2.gz	MCFWCIFHBPYMMT-QGZVFWFLSA-N	1	1	353.422	2.083	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H]1CCCN1c1cccnn1	ZINC000371549395	557218595	/nfs/dbraw/zinc/21/85/95/557218595.db2.gz	SCODVWQOQKFBIN-DOTOQJQBSA-N	1	1	364.453	2.276	20	30		FEEDMO
CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2ccc(C#N)nc2)C1	ZINC000371719252	557273357	/nfs/dbraw/zinc/27/33/57/557273357.db2.gz	MXCGHPHCBZYTPE-UHFFFAOYSA-N	1	1	350.422	2.335	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000518366213	562109741	/nfs/dbraw/zinc/10/97/41/562109741.db2.gz	QMFKEIWHIANWFJ-QGZVFWFLSA-N	1	1	357.454	2.421	20	30		FEEDMO
Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nn1-c1cccc(C#N)c1	ZINC000372378218	557455022	/nfs/dbraw/zinc/45/50/22/557455022.db2.gz	PVRSQTRDHLEUSL-WMLDXEAASA-N	1	1	366.469	2.999	20	30		FEEDMO
C#CCOc1cc(F)ccc1NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1	ZINC000372503864	557487404	/nfs/dbraw/zinc/48/74/04/557487404.db2.gz	KCMGWRVWXQEKNB-UHFFFAOYSA-N	1	1	363.433	2.148	20	30		FEEDMO
C[C@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000372553505	557502681	/nfs/dbraw/zinc/50/26/81/557502681.db2.gz	PYCCJDFMSPOCGW-IXDOHACOSA-N	1	1	355.486	2.253	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)CC(=O)NC1(C#N)CCC1	ZINC000372611016	557520707	/nfs/dbraw/zinc/52/07/07/557520707.db2.gz	ONDULZIAZAEOOF-PKOBYXMFSA-N	1	1	354.498	2.391	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C)C1	ZINC000372621625	557523272	/nfs/dbraw/zinc/52/32/72/557523272.db2.gz	SJQVXWGXBKZFKX-MRXNPFEDSA-N	1	1	367.453	2.371	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cc(Br)c(F)cc2F)CC1	ZINC000519278264	562128500	/nfs/dbraw/zinc/12/85/00/562128500.db2.gz	FQJCLWAUDTUUMT-UHFFFAOYSA-N	1	1	358.186	2.445	20	30		FEEDMO
CO[C@H](C)c1nc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cs1	ZINC000519595038	562136240	/nfs/dbraw/zinc/13/62/40/562136240.db2.gz	GCTQKOQQDGGZRU-CZUORRHYSA-N	1	1	361.467	2.446	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)ccc1OCC#N	ZINC000372983803	557603268	/nfs/dbraw/zinc/60/32/68/557603268.db2.gz	VIIDAJNOXHERCZ-TZNLOLHFSA-N	1	1	355.438	2.163	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccccc2CC#N)CC1=O	ZINC000520426320	562156303	/nfs/dbraw/zinc/15/63/03/562156303.db2.gz	FBUFFUUZSMWLNE-DLBZAZTESA-N	1	1	354.454	2.024	20	30		FEEDMO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCC(=O)Nc1ccccc1C#N	ZINC000374431859	557883356	/nfs/dbraw/zinc/88/33/56/557883356.db2.gz	ZASBXFDSJYZPDE-QRQLOZEOSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1	ZINC000374755987	557926049	/nfs/dbraw/zinc/92/60/49/557926049.db2.gz	VUAWWBNSBFTDFD-OAGGEKHMSA-N	1	1	358.442	2.352	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1	ZINC000374755987	557926050	/nfs/dbraw/zinc/92/60/50/557926050.db2.gz	VUAWWBNSBFTDFD-OAGGEKHMSA-N	1	1	358.442	2.352	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCC34OCCO4)CC2)cc1	ZINC000375027758	557966430	/nfs/dbraw/zinc/96/64/30/557966430.db2.gz	RLKZHIPUYKRJIU-IBGZPJMESA-N	1	1	369.465	2.136	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCC34OCCO4)CC2)cc1	ZINC000375027758	557966432	/nfs/dbraw/zinc/96/64/32/557966432.db2.gz	RLKZHIPUYKRJIU-IBGZPJMESA-N	1	1	369.465	2.136	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+]([C@@H]2CCc3ccccc3NC2=O)CC1	ZINC000375462787	558031457	/nfs/dbraw/zinc/03/14/57/558031457.db2.gz	SYJVGSQPXDUXNQ-LJQANCHMSA-N	1	1	361.449	2.419	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+]([C@@H]2CCc3ccccc3NC2=O)CC1	ZINC000375462787	558031459	/nfs/dbraw/zinc/03/14/59/558031459.db2.gz	SYJVGSQPXDUXNQ-LJQANCHMSA-N	1	1	361.449	2.419	20	30		FEEDMO
N#C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@]12C(=O)Nc1ccccc12	ZINC000375609335	558056314	/nfs/dbraw/zinc/05/63/14/558056314.db2.gz	YQQBXMBSEUZTJJ-KKSFZXQISA-N	1	1	364.449	2.432	20	30		FEEDMO
N#C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)C[C@]12C(=O)Nc1ccccc12	ZINC000375609335	558056315	/nfs/dbraw/zinc/05/63/15/558056315.db2.gz	YQQBXMBSEUZTJJ-KKSFZXQISA-N	1	1	364.449	2.432	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c1	ZINC000375685737	558067541	/nfs/dbraw/zinc/06/75/41/558067541.db2.gz	UKLYHTBTGVGQJY-RTWAWAEBSA-N	1	1	363.461	2.272	20	30		FEEDMO
C=CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1c(C)cnn1C	ZINC000375712219	558071358	/nfs/dbraw/zinc/07/13/58/558071358.db2.gz	VSGZJGOMQZVXDF-GOSISDBHSA-N	1	1	374.510	2.180	20	30		FEEDMO
N#Cc1cc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1F	ZINC000376068925	558122472	/nfs/dbraw/zinc/12/24/72/558122472.db2.gz	QKKYKJBCJAFVMK-QZTJIDSGSA-N	1	1	353.397	2.063	20	30		FEEDMO
C[N@@H+](C[C@@H]1CC12CCN(C(=O)C(=O)Nc1ccc(C#N)cc1)CC2)C1CC1	ZINC000376210376	558141335	/nfs/dbraw/zinc/14/13/35/558141335.db2.gz	JZSLRNWDCUMGDS-INIZCTEOSA-N	1	1	366.465	2.220	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCc2cccc(C#N)c2)cn1	ZINC000376591994	558194972	/nfs/dbraw/zinc/19/49/72/558194972.db2.gz	WOCBBIFCNSCLFD-UHFFFAOYSA-N	1	1	360.421	2.489	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1	ZINC000377808967	558424225	/nfs/dbraw/zinc/42/42/25/558424225.db2.gz	JPFWUCCHDHOELD-UHOSZYNNSA-N	1	1	354.454	2.215	20	30		FEEDMO
N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1	ZINC000377844182	558433939	/nfs/dbraw/zinc/43/39/39/558433939.db2.gz	KIWVYJWUUCBWPH-IMJJTQAJSA-N	1	1	365.886	2.316	20	30		FEEDMO
N#Cc1ccccc1N1CCC(CNC(=O)N2CC[NH+](C3CC3)CC2)CC1	ZINC000377898599	558444251	/nfs/dbraw/zinc/44/42/51/558444251.db2.gz	MATVLPYYOVYGPU-UHFFFAOYSA-N	1	1	367.497	2.264	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@@H](Nc3nccc(C#N)c3[N+](=O)[O-])[C@H](C)C2)s1	ZINC000378130976	558487848	/nfs/dbraw/zinc/48/78/48/558487848.db2.gz	DKTPHEVECQTPLZ-IAQYHMDHSA-N	1	1	372.454	2.949	20	30		FEEDMO
CN(CCC#N)c1ccc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1	ZINC000378353363	558536906	/nfs/dbraw/zinc/53/69/06/558536906.db2.gz	XJKICZVEDWCTQA-OAQYLSRUSA-N	1	1	355.530	2.248	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@H+](C)C[C@H]3C(C)C)C2)n1	ZINC000408283603	558663929	/nfs/dbraw/zinc/66/39/29/558663929.db2.gz	MNIDUTJTCRWLHS-OALUTQOASA-N	1	1	369.513	2.277	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1C#N	ZINC000408361452	558670790	/nfs/dbraw/zinc/67/07/90/558670790.db2.gz	GNZNAVAUPVLDDR-UHFFFAOYSA-N	1	1	362.499	2.147	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1	ZINC000524775409	562234409	/nfs/dbraw/zinc/23/44/09/562234409.db2.gz	GSEUKRDNZJUFQN-KRWDZBQOSA-N	1	1	356.470	2.171	20	30		FEEDMO
CN(C)c1nc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc[nH+]1	ZINC000524850108	562236088	/nfs/dbraw/zinc/23/60/88/562236088.db2.gz	QZLZNFIREZZUSM-UHFFFAOYSA-N	1	1	350.426	2.269	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000410815888	558813589	/nfs/dbraw/zinc/81/35/89/558813589.db2.gz	UOSVBHUUQVOQSM-RTBURBONSA-N	1	1	355.482	2.001	20	30		FEEDMO
COC(=O)CC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1	ZINC000411432488	558893800	/nfs/dbraw/zinc/89/38/00/558893800.db2.gz	WJIPOBCABYVEJJ-OAHLLOKOSA-N	1	1	366.259	2.194	20	30		FEEDMO
C[C@@H](CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[N@@H+](C)C1CC1	ZINC000525849224	562257242	/nfs/dbraw/zinc/25/72/42/562257242.db2.gz	XLUKDLQSXVGGAS-NXVRBGIVSA-N	1	1	371.485	2.425	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c1	ZINC000411966090	558996400	/nfs/dbraw/zinc/99/64/00/558996400.db2.gz	AXILUIBCSSCNJO-RBUKOAKNSA-N	1	1	362.433	2.088	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)CC2)o1	ZINC000526029621	562264463	/nfs/dbraw/zinc/26/44/63/562264463.db2.gz	JQTMQNVHZYHLDR-QGZVFWFLSA-N	1	1	373.501	2.308	20	30		FEEDMO
COc1cc(C[N@H+](C)CC(=O)NC2(C#N)CCC2)ccc1OC(F)F	ZINC000526135148	562267984	/nfs/dbraw/zinc/26/79/84/562267984.db2.gz	QAOVLEUUUFMFBF-UHFFFAOYSA-N	1	1	353.369	2.291	20	30		FEEDMO
COc1cc(C[N@@H+](C)CC(=O)NC2(C#N)CCC2)ccc1OC(F)F	ZINC000526135148	562267985	/nfs/dbraw/zinc/26/79/85/562267985.db2.gz	QAOVLEUUUFMFBF-UHFFFAOYSA-N	1	1	353.369	2.291	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C	ZINC000413840423	559134101	/nfs/dbraw/zinc/13/41/01/559134101.db2.gz	VFJNEBNKMJWGOY-HKUYNNGSSA-N	1	1	373.497	2.453	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C	ZINC000413840423	559134103	/nfs/dbraw/zinc/13/41/03/559134103.db2.gz	VFJNEBNKMJWGOY-HKUYNNGSSA-N	1	1	373.497	2.453	20	30		FEEDMO
C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000416822173	559333822	/nfs/dbraw/zinc/33/38/22/559333822.db2.gz	VEJGLRFDQMRRPN-RYUDHWBXSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000416822173	559333823	/nfs/dbraw/zinc/33/38/23/559333823.db2.gz	VEJGLRFDQMRRPN-RYUDHWBXSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000416822171	559333920	/nfs/dbraw/zinc/33/39/20/559333920.db2.gz	VEJGLRFDQMRRPN-NWDGAFQWSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000416822171	559333921	/nfs/dbraw/zinc/33/39/21/559333921.db2.gz	VEJGLRFDQMRRPN-NWDGAFQWSA-N	1	1	368.384	2.078	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](CO)C[C@H](C)C2)cc1	ZINC000420936137	559512525	/nfs/dbraw/zinc/51/25/25/559512525.db2.gz	KKXKJPJTRALOHB-DLBZAZTESA-N	1	1	359.470	2.282	20	30		FEEDMO
C[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000420943008	559513221	/nfs/dbraw/zinc/51/32/21/559513221.db2.gz	PKMHLGJVAWUPJP-GDBMZVCRSA-N	1	1	368.399	2.123	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)CN(C)C[C@H]2CCC[N@H+]2C)cc1	ZINC000421004246	559518729	/nfs/dbraw/zinc/51/87/29/559518729.db2.gz	NXPZWQBAMTWGPQ-GOSISDBHSA-N	1	1	358.486	2.358	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)NCCCn2cc[nH+]c2C)c(C#N)cn1CC	ZINC000421164112	559527891	/nfs/dbraw/zinc/52/78/91/559527891.db2.gz	JILAUPUWKLGMBN-UHFFFAOYSA-N	1	1	372.429	2.273	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C#N)cn1CC	ZINC000421165910	559528027	/nfs/dbraw/zinc/52/80/27/559528027.db2.gz	OGPDZLCDISZBMC-CABCVRRESA-N	1	1	373.457	2.305	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)NCC(C)(C)CC#N)cc1	ZINC000422404131	559585538	/nfs/dbraw/zinc/58/55/38/559585538.db2.gz	WBINLMARSOJQPI-AWEZNQCLSA-N	1	1	367.453	2.414	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000422523877	559592804	/nfs/dbraw/zinc/59/28/04/559592804.db2.gz	DPPRMWUQMGTCKI-RTBURBONSA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1	ZINC000422523877	559592805	/nfs/dbraw/zinc/59/28/05/559592805.db2.gz	DPPRMWUQMGTCKI-RTBURBONSA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21	ZINC000422529366	559593128	/nfs/dbraw/zinc/59/31/28/559593128.db2.gz	OYEGQRNIQOQQSB-ZCNNSNEGSA-N	1	1	369.509	2.233	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1	ZINC000422540336	559593784	/nfs/dbraw/zinc/59/37/84/559593784.db2.gz	JYXDMEGAGDFGRJ-RTBURBONSA-N	1	1	357.498	2.231	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCC)C1	ZINC000422548029	559594397	/nfs/dbraw/zinc/59/43/97/559594397.db2.gz	YIGZAQVEZPRFMO-OALUTQOASA-N	1	1	357.498	2.138	20	30		FEEDMO
C=CCc1cccc(F)c1OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1	ZINC000424104791	559654855	/nfs/dbraw/zinc/65/48/55/559654855.db2.gz	ULTKNGALAOUNIC-QGZVFWFLSA-N	1	1	364.461	2.406	20	30		FEEDMO
COc1cccc([C@@H]2[C@H](NC(=O)[C@H]([NH3+])CCCC#N)CCN2C2CC2)c1	ZINC000424177941	559656825	/nfs/dbraw/zinc/65/68/25/559656825.db2.gz	VNHYXVXBFZTGNS-GUDVDZBRSA-N	1	1	356.470	2.110	20	30		FEEDMO
C=CCCn1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000424797962	559676868	/nfs/dbraw/zinc/67/68/68/559676868.db2.gz	XHVHJCZORJKHLF-UHFFFAOYSA-N	1	1	364.453	2.142	20	30		FEEDMO
C=CCCn1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)nn1	ZINC000424875969	559679056	/nfs/dbraw/zinc/67/90/56/559679056.db2.gz	QCWMDIBSCRYKPP-KRWDZBQOSA-N	1	1	353.470	2.448	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@H+](CCNc1cc(C)ncc1C#N)CC2	ZINC000425215258	559691786	/nfs/dbraw/zinc/69/17/86/559691786.db2.gz	MOOZTAUENKIRMM-UHFFFAOYSA-N	1	1	352.438	2.171	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@@H+](CCNc1cc(C)ncc1C#N)CC2	ZINC000425215258	559691787	/nfs/dbraw/zinc/69/17/87/559691787.db2.gz	MOOZTAUENKIRMM-UHFFFAOYSA-N	1	1	352.438	2.171	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425384179	559699246	/nfs/dbraw/zinc/69/92/46/559699246.db2.gz	JINQQCVVKWRNIZ-RBUKOAKNSA-N	1	1	355.482	2.144	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)nn1	ZINC000425496590	559705498	/nfs/dbraw/zinc/70/54/98/559705498.db2.gz	AZGBJHGOBBHWHA-IBGZPJMESA-N	1	1	368.485	2.174	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1	ZINC000425556275	559709585	/nfs/dbraw/zinc/70/95/85/559709585.db2.gz	ZXYNOBNLFOFKET-MUGJNUQGSA-N	1	1	373.497	2.339	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1	ZINC000425556275	559709586	/nfs/dbraw/zinc/70/95/86/559709586.db2.gz	ZXYNOBNLFOFKET-MUGJNUQGSA-N	1	1	373.497	2.339	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OC[C@H]2CCCCO2)CC1	ZINC000426803062	559742182	/nfs/dbraw/zinc/74/21/82/559742182.db2.gz	JZRSLSUONAWDKR-YVWKXTFCSA-N	1	1	365.518	2.479	20	30		FEEDMO
CC[C@@H](CNS(=O)(=O)c1cccnc1C#N)[N@@H+]1CCc2ccccc2C1	ZINC000428263950	559772589	/nfs/dbraw/zinc/77/25/89/559772589.db2.gz	KXEYYEGOHFHFFM-KRWDZBQOSA-N	1	1	370.478	2.068	20	30		FEEDMO
CC[C@@H](CNS(=O)(=O)c1cccnc1C#N)[N@H+]1CCc2ccccc2C1	ZINC000428263950	559772590	/nfs/dbraw/zinc/77/25/90/559772590.db2.gz	KXEYYEGOHFHFFM-KRWDZBQOSA-N	1	1	370.478	2.068	20	30		FEEDMO
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1	ZINC000428549551	559778012	/nfs/dbraw/zinc/77/80/12/559778012.db2.gz	QBCMAOGHUXGAAI-TZIWHRDSSA-N	1	1	374.444	2.446	20	30		FEEDMO
Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000428779719	559783217	/nfs/dbraw/zinc/78/32/17/559783217.db2.gz	CZXNRRVNRRKMHB-RBUKOAKNSA-N	1	1	367.449	2.463	20	30		FEEDMO
C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428811088	559783920	/nfs/dbraw/zinc/78/39/20/559783920.db2.gz	ZBXOVSVWQOOESA-QFBILLFUSA-N	1	1	364.449	2.154	20	30		FEEDMO
C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428811088	559783921	/nfs/dbraw/zinc/78/39/21/559783921.db2.gz	ZBXOVSVWQOOESA-QFBILLFUSA-N	1	1	364.449	2.154	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1	ZINC000429025395	559789062	/nfs/dbraw/zinc/78/90/62/559789062.db2.gz	IFLILPJNDISPLW-OAQYLSRUSA-N	1	1	370.497	2.360	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)[NH+]1CCOCC1	ZINC000432055562	559851189	/nfs/dbraw/zinc/85/11/89/559851189.db2.gz	RWLLKZGOSWWGKT-LJQANCHMSA-N	1	1	358.486	2.101	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+](CCO)[C@@H]1CCCSC1	ZINC000433191030	559872943	/nfs/dbraw/zinc/87/29/43/559872943.db2.gz	TXUMTWXCETWQAQ-MSOLQXFVSA-N	1	1	351.512	2.345	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H](C#N)CCc2ccccc2)CC1	ZINC000433358539	559878411	/nfs/dbraw/zinc/87/84/11/559878411.db2.gz	BUTBCZNDGPFUQS-AZUAARDMSA-N	1	1	356.514	2.149	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1	ZINC000434698244	559906046	/nfs/dbraw/zinc/90/60/46/559906046.db2.gz	DIMUMBMUDCRWCP-IBGZPJMESA-N	1	1	372.513	2.203	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)CN2CCOCC2)c1	ZINC000434698244	559906047	/nfs/dbraw/zinc/90/60/47/559906047.db2.gz	DIMUMBMUDCRWCP-IBGZPJMESA-N	1	1	372.513	2.203	20	30		FEEDMO
CCOCC[NH+]1CCN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC1	ZINC000436500072	559943184	/nfs/dbraw/zinc/94/31/84/559943184.db2.gz	UIQKKYNGEPIYON-UHFFFAOYSA-N	1	1	359.474	2.119	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c(F)c1	ZINC000528555265	562336002	/nfs/dbraw/zinc/33/60/02/562336002.db2.gz	WSIIFHYGVDBHGF-MRXNPFEDSA-N	1	1	351.447	2.134	20	30		FEEDMO
C[N@@H+](CCCO)C1CCN(Cc2ccc(C#N)cc2OC(F)F)CC1	ZINC000437882065	559971128	/nfs/dbraw/zinc/97/11/28/559971128.db2.gz	OMYDCJAWWPWYDS-UHFFFAOYSA-N	1	1	353.413	2.438	20	30		FEEDMO
CCc1cnc(N2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)s1	ZINC000438819831	559984048	/nfs/dbraw/zinc/98/40/48/559984048.db2.gz	MYOHVVXROYZNAX-INIZCTEOSA-N	1	1	372.494	2.139	20	30		FEEDMO
CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@@H]1C	ZINC000441106274	560024156	/nfs/dbraw/zinc/02/41/56/560024156.db2.gz	QYIJXIXQHRUFLS-JKSUJKDBSA-N	1	1	372.469	2.249	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@@H]1C	ZINC000441106274	560024157	/nfs/dbraw/zinc/02/41/57/560024157.db2.gz	QYIJXIXQHRUFLS-JKSUJKDBSA-N	1	1	372.469	2.249	20	30		FEEDMO
O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000441994845	560042075	/nfs/dbraw/zinc/04/20/75/560042075.db2.gz	XESWNKAAWCUSCO-HXUWFJFHSA-N	1	1	373.456	2.378	20	30		FEEDMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000443063285	560068661	/nfs/dbraw/zinc/06/86/61/560068661.db2.gz	ACWIEYGWDIMNRL-BETUJISGSA-N	1	1	366.443	2.008	20	30		FEEDMO
Cc1cccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N	ZINC000443089032	560070034	/nfs/dbraw/zinc/07/00/34/560070034.db2.gz	UDKACBLSHXYRGW-KRWDZBQOSA-N	1	1	355.463	2.420	20	30		FEEDMO
Cc1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N	ZINC000443089032	560070035	/nfs/dbraw/zinc/07/00/35/560070035.db2.gz	UDKACBLSHXYRGW-KRWDZBQOSA-N	1	1	355.463	2.420	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cccc(Cl)c1C#N	ZINC000443256299	560076437	/nfs/dbraw/zinc/07/64/37/560076437.db2.gz	XVZOWMSHAPTTBQ-UHFFFAOYSA-N	1	1	352.847	2.475	20	30		FEEDMO
CCC[C@@]1(C(=O)OCC)CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000444777935	560120446	/nfs/dbraw/zinc/12/04/46/560120446.db2.gz	UGSUFKKEHHWQEE-PXNSSMCTSA-N	1	1	360.454	2.496	20	30		FEEDMO
C=CC[C@@H]1[N@@H+](CC(=O)NCC(C)(C)N2CCOCC2)CCCC1(C)C	ZINC000444781210	560120708	/nfs/dbraw/zinc/12/07/08/560120708.db2.gz	GWUDMRXGYFJNST-KRWDZBQOSA-N	1	1	351.535	2.280	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C	ZINC000447927403	560173436	/nfs/dbraw/zinc/17/34/36/560173436.db2.gz	OZIYTZWVEBLRBI-RXVVDRJESA-N	1	1	360.498	2.453	20	30		FEEDMO
C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(C#N)n2C)C[C@H](C)O1	ZINC000448714131	560196089	/nfs/dbraw/zinc/19/60/89/560196089.db2.gz	NZUSCECLPDBYCM-HOTGVXAUSA-N	1	1	366.465	2.436	20	30		FEEDMO
CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000448763075	560198263	/nfs/dbraw/zinc/19/82/63/560198263.db2.gz	MVKMQBGCTQILGQ-UKRRQHHQSA-N	1	1	374.872	2.023	20	30		FEEDMO
C=CC[N@@H+](Cc1ccnc(OC)n1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000449031370	560213335	/nfs/dbraw/zinc/21/33/35/560213335.db2.gz	WPWNQHWKZVTPCX-AWEZNQCLSA-N	1	1	351.414	2.210	20	30		FEEDMO
C=CC[N@H+](Cc1ccnc(OC)n1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000449031370	560213336	/nfs/dbraw/zinc/21/33/36/560213336.db2.gz	WPWNQHWKZVTPCX-AWEZNQCLSA-N	1	1	351.414	2.210	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000450146122	560252036	/nfs/dbraw/zinc/25/20/36/560252036.db2.gz	LMMUVBAMZDGZNE-UHFFFAOYSA-N	1	1	371.872	2.400	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1	ZINC000451031759	560283612	/nfs/dbraw/zinc/28/36/12/560283612.db2.gz	XMCPJKVGYATLHT-JXXFODFXSA-N	1	1	373.501	2.044	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1	ZINC000451031759	560283613	/nfs/dbraw/zinc/28/36/13/560283613.db2.gz	XMCPJKVGYATLHT-JXXFODFXSA-N	1	1	373.501	2.044	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451203013	560292921	/nfs/dbraw/zinc/29/29/21/560292921.db2.gz	OVGOBKUQYLSSCS-CQSZACIVSA-N	1	1	355.891	2.368	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000451478206	560309444	/nfs/dbraw/zinc/30/94/44/560309444.db2.gz	JMUHHVBSFXBIRG-MRXNPFEDSA-N	1	1	353.463	2.237	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@@H](C)C1	ZINC000451678785	560321603	/nfs/dbraw/zinc/32/16/03/560321603.db2.gz	NRBIYVODYJRFSZ-ZFWWWQNUSA-N	1	1	374.872	2.117	20	30		FEEDMO
CC[C@H]1C[N@@H+](CC)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000451729777	560325066	/nfs/dbraw/zinc/32/50/66/560325066.db2.gz	LURWMZPSCXTWJA-KRWDZBQOSA-N	1	1	366.469	2.099	20	30		FEEDMO
CC[C@@H]1C[N@@H+](CC)CCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000451729778	560325160	/nfs/dbraw/zinc/32/51/60/560325160.db2.gz	LURWMZPSCXTWJA-QGZVFWFLSA-N	1	1	366.469	2.099	20	30		FEEDMO
CC(C)OCCOC1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000451956183	560340384	/nfs/dbraw/zinc/34/03/84/560340384.db2.gz	NMFNUPAKIMMWFL-VQIMIIECSA-N	1	1	353.507	2.335	20	30		FEEDMO
COC(=O)[C@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1c1ccccc1	ZINC000451994622	560343640	/nfs/dbraw/zinc/34/36/40/560343640.db2.gz	MHQCIPFMOXDYCP-ROUUACIJSA-N	1	1	369.465	2.218	20	30		FEEDMO
COC(=O)[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1c1ccccc1	ZINC000451994622	560343641	/nfs/dbraw/zinc/34/36/41/560343641.db2.gz	MHQCIPFMOXDYCP-ROUUACIJSA-N	1	1	369.465	2.218	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H]1c1ccccc1	ZINC000452008180	560344909	/nfs/dbraw/zinc/34/49/09/560344909.db2.gz	SHDRLSVMQDAYLL-RBUKOAKNSA-N	1	1	363.417	2.385	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H]1c1ccccc1	ZINC000452008180	560344910	/nfs/dbraw/zinc/34/49/10/560344910.db2.gz	SHDRLSVMQDAYLL-RBUKOAKNSA-N	1	1	363.417	2.385	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1	ZINC000452386409	560362344	/nfs/dbraw/zinc/36/23/44/560362344.db2.gz	FQCPPGBEQHGNAV-SFHVURJKSA-N	1	1	359.470	2.070	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)c1ccco1	ZINC000453569083	560388965	/nfs/dbraw/zinc/38/89/65/560388965.db2.gz	CFEMKBXRFIZUJN-OAHLLOKOSA-N	1	1	374.828	2.357	20	30		FEEDMO
CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1	ZINC000453995138	560420414	/nfs/dbraw/zinc/42/04/14/560420414.db2.gz	LEKJOMJKYCNDGD-OAHLLOKOSA-N	1	1	372.469	2.227	20	30		FEEDMO
CC1(C)CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000454075841	560427084	/nfs/dbraw/zinc/42/70/84/560427084.db2.gz	YWRPSNNYICLHAC-UHFFFAOYSA-N	1	1	372.469	2.298	20	30		FEEDMO
CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000455104705	560470388	/nfs/dbraw/zinc/47/03/88/560470388.db2.gz	PXVUBVZHFFQCFM-HNNXBMFYSA-N	1	1	370.432	2.831	20	30		FEEDMO
N#Cc1ccc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1F	ZINC000459117722	560667765	/nfs/dbraw/zinc/66/77/65/560667765.db2.gz	KGJOOMFSOWQOJH-QGZVFWFLSA-N	1	1	360.433	2.094	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC	ZINC000460054686	560731866	/nfs/dbraw/zinc/73/18/66/560731866.db2.gz	DNFFNISTFOGRPN-IBGZPJMESA-N	1	1	357.498	2.186	20	30		FEEDMO
COC(=O)[C@@H](Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cccc(C#N)c1	ZINC000461098376	560761264	/nfs/dbraw/zinc/76/12/64/560761264.db2.gz	OVFJCVBGLZARGZ-PMACEKPBSA-N	1	1	365.433	2.451	20	30		FEEDMO
C[N@@H+](CCNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)Cc1ccccc1	ZINC000462140444	560798897	/nfs/dbraw/zinc/79/88/97/560798897.db2.gz	QGNJCVSVOYQGOJ-UHFFFAOYSA-N	1	1	364.449	2.463	20	30		FEEDMO
C[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cccc(C#N)c1	ZINC000462270433	560803736	/nfs/dbraw/zinc/80/37/36/560803736.db2.gz	NSDKBQBDODGHMZ-NDXORKPFSA-N	1	1	363.461	2.413	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000464493945	560843438	/nfs/dbraw/zinc/84/34/38/560843438.db2.gz	HTNNRQPLPQUYTB-GJYPPUQNSA-N	1	1	351.491	2.483	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000464493945	560843440	/nfs/dbraw/zinc/84/34/40/560843440.db2.gz	HTNNRQPLPQUYTB-GJYPPUQNSA-N	1	1	351.491	2.483	20	30		FEEDMO
CC#CCCCC(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000466644040	560891900	/nfs/dbraw/zinc/89/19/00/560891900.db2.gz	SFFRXUSSZITICH-ROUUACIJSA-N	1	1	350.503	2.297	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[C@H]1C	ZINC000469998123	560971354	/nfs/dbraw/zinc/97/13/54/560971354.db2.gz	BSDUPSJCILYUHS-GRDNDAEWSA-N	1	1	361.417	2.344	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1C#N	ZINC000470091675	560974204	/nfs/dbraw/zinc/97/42/04/560974204.db2.gz	HYCNZYANEHNUCG-ZDUSSCGKSA-N	1	1	374.510	2.081	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000470170412	560975938	/nfs/dbraw/zinc/97/59/38/560975938.db2.gz	UMZVTXIHFNKFKC-SFHVURJKSA-N	1	1	357.502	2.479	20	30		FEEDMO
CC(C)OC[C@H](O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471010399	560996329	/nfs/dbraw/zinc/99/63/29/560996329.db2.gz	VZUSQJMPQYXSGN-QZTJIDSGSA-N	1	1	351.878	2.308	20	30		FEEDMO
CCN1CC[N@H+](CCOc2ccc(C#N)cc2OC)C[C@H]1c1ncc[nH]1	ZINC000471088281	560998051	/nfs/dbraw/zinc/99/80/51/560998051.db2.gz	FNIVMBOICYCTJQ-INIZCTEOSA-N	1	1	355.442	2.048	20	30		FEEDMO
CCN1CC[N@@H+](CCOc2ccc(C#N)cc2OC)C[C@H]1c1ncc[nH]1	ZINC000471088281	560998052	/nfs/dbraw/zinc/99/80/52/560998052.db2.gz	FNIVMBOICYCTJQ-INIZCTEOSA-N	1	1	355.442	2.048	20	30		FEEDMO
COc1cc(C)c(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1OC	ZINC000471802264	561012121	/nfs/dbraw/zinc/01/21/21/561012121.db2.gz	AGHAEGLAIQVWSK-UHFFFAOYSA-N	1	1	369.469	2.248	20	30		FEEDMO
CCCC[N@@H+](C)CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000471957414	561015029	/nfs/dbraw/zinc/01/50/29/561015029.db2.gz	UZEXQOTXYOHULS-SFHVURJKSA-N	1	1	357.502	2.326	20	30		FEEDMO
CC(C)[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)N1CC[NH+](C)CC1	ZINC000475940575	561108193	/nfs/dbraw/zinc/10/81/93/561108193.db2.gz	TWNOKQALLFWYIL-UXHICEINSA-N	1	1	356.514	2.462	20	30		FEEDMO
C[C@@H]1C[C@@H](N(C)C(=O)c2cnn(C)c2C#N)CC[N@H+]1Cc1ccccc1	ZINC000476083186	561111060	/nfs/dbraw/zinc/11/10/60/561111060.db2.gz	BEFROPUIJSXZGJ-WBVHZDCISA-N	1	1	351.454	2.417	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)C1	ZINC000476850720	561130045	/nfs/dbraw/zinc/13/00/45/561130045.db2.gz	KBTQVJBMMZHIRC-IRXDYDNUSA-N	1	1	368.481	2.472	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000528424268	562328492	/nfs/dbraw/zinc/32/84/92/562328492.db2.gz	LMOZKXPQZOUHCH-DFQSSKMNSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000528424268	562328493	/nfs/dbraw/zinc/32/84/93/562328493.db2.gz	LMOZKXPQZOUHCH-DFQSSKMNSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1	ZINC000528424268	562328494	/nfs/dbraw/zinc/32/84/94/562328494.db2.gz	LMOZKXPQZOUHCH-DFQSSKMNSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1	ZINC000528424268	562328495	/nfs/dbraw/zinc/32/84/95/562328495.db2.gz	LMOZKXPQZOUHCH-DFQSSKMNSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1	ZINC000528424268	562328496	/nfs/dbraw/zinc/32/84/96/562328496.db2.gz	LMOZKXPQZOUHCH-DFQSSKMNSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000528424268	562328497	/nfs/dbraw/zinc/32/84/97/562328497.db2.gz	LMOZKXPQZOUHCH-DFQSSKMNSA-N	1	1	355.482	2.247	20	30		FEEDMO
CC(C)(C)C(=O)N1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C(C)(C)C1	ZINC000528439812	562329401	/nfs/dbraw/zinc/32/94/01/562329401.db2.gz	QERMYBZNNBMQBO-KRWDZBQOSA-N	1	1	373.497	2.267	20	30		FEEDMO
CC(C)(C)C(=O)N1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C(C)(C)C1	ZINC000528439812	562329402	/nfs/dbraw/zinc/32/94/02/562329402.db2.gz	QERMYBZNNBMQBO-KRWDZBQOSA-N	1	1	373.497	2.267	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCCC1	ZINC000528480154	562331598	/nfs/dbraw/zinc/33/15/98/562331598.db2.gz	YAOGJDKQCCINSB-MRXNPFEDSA-N	1	1	363.483	2.252	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1	ZINC000529025464	562357149	/nfs/dbraw/zinc/35/71/49/562357149.db2.gz	JPMQLNVSXPMUEJ-QHAWAJNXSA-N	1	1	365.477	2.350	20	30		FEEDMO
C=CC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccncc1	ZINC000529025463	562357174	/nfs/dbraw/zinc/35/71/74/562357174.db2.gz	JPMQLNVSXPMUEJ-PCCBWWKXSA-N	1	1	365.477	2.350	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)COc2ccccc2C#N)cc1	ZINC000529832132	562387267	/nfs/dbraw/zinc/38/72/67/562387267.db2.gz	PAIACNRIRCQXHK-SFHVURJKSA-N	1	1	365.433	2.336	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)COc2ccccc2C#N)cc1	ZINC000529832132	562387268	/nfs/dbraw/zinc/38/72/68/562387268.db2.gz	PAIACNRIRCQXHK-SFHVURJKSA-N	1	1	365.433	2.336	20	30		FEEDMO
COCCC1CC[NH+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1	ZINC000530096284	562397920	/nfs/dbraw/zinc/39/79/20/562397920.db2.gz	SKNBNYHEGOYPCZ-UHFFFAOYSA-N	1	1	370.453	2.028	20	30		FEEDMO
CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000531007331	562431616	/nfs/dbraw/zinc/43/16/16/562431616.db2.gz	IASAVVGIAMERJT-QGZVFWFLSA-N	1	1	355.486	2.120	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)c2cc(C#N)cs2)c2cccs2)CC1	ZINC000531218822	562438554	/nfs/dbraw/zinc/43/85/54/562438554.db2.gz	BBDRTTKYYSWTKX-CQSZACIVSA-N	1	1	360.508	2.400	20	30		FEEDMO
C[C@H](CNC(=O)Cc1cccc(C#N)c1)[NH+]1CCN(c2ccccc2)CC1	ZINC000531386869	562444268	/nfs/dbraw/zinc/44/42/68/562444268.db2.gz	RKBXRUBYAJUXGC-GOSISDBHSA-N	1	1	362.477	2.428	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C#N)cc1F	ZINC000532108378	562467109	/nfs/dbraw/zinc/46/71/09/562467109.db2.gz	OVWRRRGQJCDLPV-HZSPNIEDSA-N	1	1	353.463	2.342	20	30		FEEDMO
COC(=O)c1cccc(CN2CCCC[C@H]2C[NH+]2CCOCC2)c1C#N	ZINC000534470300	562534762	/nfs/dbraw/zinc/53/47/62/562534762.db2.gz	QDXVEKUCKMEFRP-KRWDZBQOSA-N	1	1	357.454	2.032	20	30		FEEDMO
COC(=O)c1cc2cc(C[N@@H+](C)CCCc3[nH]nc(N)c3C#N)ccc2o1	ZINC000534833546	562543497	/nfs/dbraw/zinc/54/34/97/562543497.db2.gz	FSXXZRAFIBTQQK-UHFFFAOYSA-N	1	1	367.409	2.461	20	30		FEEDMO
CC[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)CC1CC1	ZINC000537249033	562588779	/nfs/dbraw/zinc/58/87/79/562588779.db2.gz	OHNWPYILQHBJBB-LJQANCHMSA-N	1	1	358.461	2.266	20	30		FEEDMO
C=C(C)C[C@@H](NC(=O)c1sc2c(c1Br)C[NH2+]C2)C(=O)OC	ZINC000602601056	568000579	/nfs/dbraw/zinc/00/05/79/568000579.db2.gz	QOHCDDQBVXFBCT-SECBINFHSA-N	1	1	373.272	2.351	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H](C)N1CC#N	ZINC000602852595	568001553	/nfs/dbraw/zinc/00/15/53/568001553.db2.gz	DCDZXKHTAJWQQI-SBHAEUEKSA-N	1	1	356.514	2.196	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H](O)COCc2ccccc2Cl)C[C@H](C)N1CC#N	ZINC000602858180	568002887	/nfs/dbraw/zinc/00/28/87/568002887.db2.gz	ZVDSSMHJDPZLQS-UXLLHSPISA-N	1	1	351.878	2.136	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@H](C)N1CC#N	ZINC000602858157	568002897	/nfs/dbraw/zinc/00/28/97/568002897.db2.gz	ZPWLDUGLZZRQQO-NZGUISNBSA-N	1	1	357.498	2.360	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1	ZINC000568503776	568039754	/nfs/dbraw/zinc/03/97/54/568039754.db2.gz	RTOBZBOPKFLKRB-HXUWFJFHSA-N	1	1	353.466	2.456	20	30		FEEDMO
Cc1[nH+]ccn1Cc1cn([C@H](C)C(=O)N(CCC#N)c2ccccc2)nn1	ZINC000603172906	568071184	/nfs/dbraw/zinc/07/11/84/568071184.db2.gz	FQSUHIBZKNWPLV-OAHLLOKOSA-N	1	1	363.425	2.339	20	30		FEEDMO
Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)ncc1C#N	ZINC000568661667	568109204	/nfs/dbraw/zinc/10/92/04/568109204.db2.gz	VWXOQTVTFWQPAA-QGZVFWFLSA-N	1	1	369.469	2.114	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N2c3ccccc3C[C@@H]2C)CC1	ZINC000604483259	568300741	/nfs/dbraw/zinc/30/07/41/568300741.db2.gz	JXGJVFVAEILHTF-JKSUJKDBSA-N	1	1	370.497	2.302	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@@H](O)COc1cc(C#N)ccc1I	ZINC000569743560	568418003	/nfs/dbraw/zinc/41/80/03/568418003.db2.gz	ADQOYYNJIPRKEC-GFCCVEGCSA-N	1	1	374.222	2.243	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000637185245	568534704	/nfs/dbraw/zinc/53/47/04/568534704.db2.gz	GTNCMXRALMOLOK-HKUYNNGSSA-N	1	1	357.498	2.295	20	30		FEEDMO
N#Cc1ccccc1N1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1	ZINC000737728162	598684475	/nfs/dbraw/zinc/68/44/75/598684475.db2.gz	YSAOAEAXVDNECZ-UHFFFAOYSA-N	1	1	363.400	2.200	20	30		FEEDMO
Cc1cc(N2CCC[C@H]([NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)nc(C)[nH+]1	ZINC000738409302	600568953	/nfs/dbraw/zinc/56/89/53/600568953.db2.gz	SLOCCMZEIXEPBQ-PKOBYXMFSA-N	1	1	365.437	2.349	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1	ZINC000809688703	674505222	/nfs/dbraw/zinc/50/52/22/674505222.db2.gz	OBQFEYJNOJAHNU-NVXWUHKLSA-N	1	1	365.499	2.081	20	30		FEEDMO
C#CCCCCC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000823838633	608290142	/nfs/dbraw/zinc/29/01/42/608290142.db2.gz	SCFXZIBXALDQDS-UHFFFAOYSA-N	1	1	366.469	2.095	20	30		FEEDMO
C=CC[N@@H+](Cc1cc(C(N)=O)cs1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823914322	608632556	/nfs/dbraw/zinc/63/25/56/608632556.db2.gz	FSVQTCLGESFRMR-UHFFFAOYSA-N	1	1	354.439	2.215	20	30		FEEDMO
C=CC[N@H+](Cc1cc(C(N)=O)cs1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823914322	608632557	/nfs/dbraw/zinc/63/25/57/608632557.db2.gz	FSVQTCLGESFRMR-UHFFFAOYSA-N	1	1	354.439	2.215	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)O	ZINC001048570235	675010762	/nfs/dbraw/zinc/01/07/62/675010762.db2.gz	IDWIVIFMOKSALQ-QKDSSNGWSA-N	1	1	350.503	2.098	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1c1snc(C)c1C#N	ZINC001049052993	675021613	/nfs/dbraw/zinc/02/16/13/675021613.db2.gz	FFTFOPPJFLWNDV-LUYZLQTOSA-N	1	1	361.515	2.137	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C)sc3C)C[C@@H]2C1	ZINC001049067898	675022210	/nfs/dbraw/zinc/02/22/10/675022210.db2.gz	CDOGXZXJLXIXSO-HPFXQQBRSA-N	1	1	361.511	2.241	20	30		FEEDMO
C=C(C)Cn1c(Cc2nc(C)cs2)nnc1N1CC[NH+](C2CC2)CC1	ZINC000564963471	675082421	/nfs/dbraw/zinc/08/24/21/675082421.db2.gz	RKECDRUVUVRQRT-UHFFFAOYSA-N	1	1	358.515	2.494	20	30		FEEDMO
CN(C)S(=O)(=O)c1cccc(CO[NH+]=C(N)CCc2ccccc2)c1	ZINC000066374116	670440942	/nfs/dbraw/zinc/44/09/42/670440942.db2.gz	UJMGEGCOJFGLEG-UHFFFAOYSA-N	1	1	361.467	2.359	20	30		FEEDMO
C=C(Br)CNC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2	ZINC000067557224	670459207	/nfs/dbraw/zinc/45/92/07/670459207.db2.gz	LVLUFWIVRQMFEK-UHFFFAOYSA-N	1	1	366.259	2.376	20	30		FEEDMO
C=C(Br)CNC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2	ZINC000067557224	670459211	/nfs/dbraw/zinc/45/92/11/670459211.db2.gz	LVLUFWIVRQMFEK-UHFFFAOYSA-N	1	1	366.259	2.376	20	30		FEEDMO
N#CCC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000565619083	675137345	/nfs/dbraw/zinc/13/73/45/675137345.db2.gz	FTTGOFQVLMYJPV-KRWDZBQOSA-N	1	1	354.435	2.362	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC3(C2)OCCO3)sc2c1CCCC2	ZINC000104082300	670789456	/nfs/dbraw/zinc/78/94/56/670789456.db2.gz	SFYYTQZXEDFRSE-UHFFFAOYSA-N	1	1	361.467	2.276	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCC3(C2)OCCO3)sc2c1CCCC2	ZINC000104082300	670789460	/nfs/dbraw/zinc/78/94/60/670789460.db2.gz	SFYYTQZXEDFRSE-UHFFFAOYSA-N	1	1	361.467	2.276	20	30		FEEDMO
CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000571304604	670853105	/nfs/dbraw/zinc/85/31/05/670853105.db2.gz	ULUXGNONABIBFS-CYBMUJFWSA-N	1	1	372.288	2.035	20	30		FEEDMO
CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000571304604	670853109	/nfs/dbraw/zinc/85/31/09/670853109.db2.gz	ULUXGNONABIBFS-CYBMUJFWSA-N	1	1	372.288	2.035	20	30		FEEDMO
C[C@@H](O[NH+]=C(N)C1CCOCC1)C(=O)Nc1cccc(Br)c1	ZINC000112087824	670865572	/nfs/dbraw/zinc/86/55/72/670865572.db2.gz	BLAYSJUMWUTFFZ-SNVBAGLBSA-N	1	1	370.247	2.492	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nn1	ZINC000565770224	675150150	/nfs/dbraw/zinc/15/01/50/675150150.db2.gz	KVZDRVYDTMEINF-GUYCJALGSA-N	1	1	350.850	2.346	20	30		FEEDMO
N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)n2)c(Cl)c1	ZINC000576650424	671384318	/nfs/dbraw/zinc/38/43/18/671384318.db2.gz	XVRBJMZTPGTTMJ-INIZCTEOSA-N	1	1	355.829	2.963	20	30		FEEDMO
N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)n2)c(Cl)c1	ZINC000576650424	671384322	/nfs/dbraw/zinc/38/43/22/671384322.db2.gz	XVRBJMZTPGTTMJ-INIZCTEOSA-N	1	1	355.829	2.963	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)OC(C)(C)C	ZINC000125198732	672008238	/nfs/dbraw/zinc/00/82/38/672008238.db2.gz	VEXCHHGRZIBKND-KBXCAEBGSA-N	1	1	354.495	2.276	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000131755453	672091350	/nfs/dbraw/zinc/09/13/50/672091350.db2.gz	RLFYQEFWUOWKEU-UHFFFAOYSA-N	1	1	352.479	2.080	20	30		FEEDMO
CC[NH+]=C(NCC1(N(C)C)CCOCC1)N1CCS[C@@H](C(C)C)C1	ZINC000153773346	672204602	/nfs/dbraw/zinc/20/46/02/672204602.db2.gz	UDLGTWWVVHBACL-MRXNPFEDSA-N	1	1	356.580	2.136	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1	ZINC000159426732	672281966	/nfs/dbraw/zinc/28/19/66/672281966.db2.gz	XRJDVCVJPHQGPI-SFHVURJKSA-N	1	1	364.511	2.383	20	30		FEEDMO
C[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(C#N)cc1C(F)(F)F	ZINC000589501188	672529395	/nfs/dbraw/zinc/52/93/95/672529395.db2.gz	DBQZDUOYOGIICH-UHFFFAOYSA-N	1	1	361.389	2.044	20	30		FEEDMO
C[N@@H+](CCN1CCCS1(=O)=O)Cc1ccc(C#N)cc1C(F)(F)F	ZINC000589501188	672529399	/nfs/dbraw/zinc/52/93/99/672529399.db2.gz	DBQZDUOYOGIICH-UHFFFAOYSA-N	1	1	361.389	2.044	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1	ZINC000590972625	672637701	/nfs/dbraw/zinc/63/77/01/672637701.db2.gz	CKLMEUNXCXNVQE-RBUKOAKNSA-N	1	1	362.495	2.205	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1	ZINC000590972625	672637706	/nfs/dbraw/zinc/63/77/06/672637706.db2.gz	CKLMEUNXCXNVQE-RBUKOAKNSA-N	1	1	362.495	2.205	20	30		FEEDMO
C[C@H](O)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1F	ZINC000592430873	672801572	/nfs/dbraw/zinc/80/15/72/672801572.db2.gz	CGENQARCGJPOFA-SCLBCKFNSA-N	1	1	362.426	2.183	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc(OC)c1OCC(F)F	ZINC000592522363	672810237	/nfs/dbraw/zinc/81/02/37/672810237.db2.gz	MNJKNZOGHFHBSS-QGZVFWFLSA-N	1	1	356.369	2.198	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@](O)(CC#N)C2)cc(OC)c1OCC(F)F	ZINC000592522363	672810243	/nfs/dbraw/zinc/81/02/43/672810243.db2.gz	MNJKNZOGHFHBSS-QGZVFWFLSA-N	1	1	356.369	2.198	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CC(N)=NOCC(=O)N1CCC[C@@H]2CCCC[C@@H]21	ZINC000245471477	672819387	/nfs/dbraw/zinc/81/93/87/672819387.db2.gz	OAYZCUVZKQHLSG-IKGGRYGDSA-N	1	1	350.507	2.331	20	30		FEEDMO
C=CC[N@@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000246032655	672828447	/nfs/dbraw/zinc/82/84/47/672828447.db2.gz	PBYRKIVWURMOML-CVEARBPZSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CC[N@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000246032655	672828449	/nfs/dbraw/zinc/82/84/49/672828449.db2.gz	PBYRKIVWURMOML-CVEARBPZSA-N	1	1	372.531	2.309	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1	ZINC000594483473	673087039	/nfs/dbraw/zinc/08/70/39/673087039.db2.gz	LJOUMGSRPPIIRK-IRXDYDNUSA-N	1	1	351.447	2.134	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000594790512	673143258	/nfs/dbraw/zinc/14/32/58/673143258.db2.gz	MBXQHXQLQNNISI-CQSZACIVSA-N	1	1	353.463	2.237	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000595072107	673190763	/nfs/dbraw/zinc/19/07/63/673190763.db2.gz	FLWIQAOUAIGLLD-LBPRGKRZSA-N	1	1	362.861	2.387	20	30		FEEDMO
CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000595355870	673231801	/nfs/dbraw/zinc/23/18/01/673231801.db2.gz	SDHGOEABHHQRCU-ZDUSSCGKSA-N	1	1	361.389	2.340	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1ccc(F)c(Br)c1	ZINC000730106362	673262632	/nfs/dbraw/zinc/26/26/32/673262632.db2.gz	ZLUKKEFCGGPIAW-HNNXBMFYSA-N	1	1	353.235	2.345	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(F)c(Br)c1	ZINC000730106362	673262637	/nfs/dbraw/zinc/26/26/37/673262637.db2.gz	ZLUKKEFCGGPIAW-HNNXBMFYSA-N	1	1	353.235	2.345	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](Cn3ccnn3)C2)cc1Cl	ZINC000595604778	673272784	/nfs/dbraw/zinc/27/27/84/673272784.db2.gz	CUVRLNRLXJQTKC-ZDUSSCGKSA-N	1	1	358.833	2.154	20	30		FEEDMO
C=CCCSCCNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1	ZINC000595724518	673285654	/nfs/dbraw/zinc/28/56/54/673285654.db2.gz	MIERDAQZJHDZLR-JWTNVVGKSA-N	1	1	366.575	2.248	20	30		FEEDMO
CC1(C)[C@H](O)CC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000463220973	673301469	/nfs/dbraw/zinc/30/14/69/673301469.db2.gz	RQFJEDOSYQSPQB-OAHLLOKOSA-N	1	1	354.372	2.018	20	30		FEEDMO
CC1(C)[C@@H](O)CC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000463220971	673301490	/nfs/dbraw/zinc/30/14/90/673301490.db2.gz	RQFJEDOSYQSPQB-HNNXBMFYSA-N	1	1	354.372	2.018	20	30		FEEDMO
C=CCNC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1OCCCO	ZINC000463370542	673308233	/nfs/dbraw/zinc/30/82/33/673308233.db2.gz	WJVIGJMWNODVEW-GFCCVEGCSA-N	1	1	371.275	2.163	20	30		FEEDMO
COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000595851680	673330127	/nfs/dbraw/zinc/33/01/27/673330127.db2.gz	IPANCGXHISWTBL-AKAXFMLLSA-N	1	1	363.845	2.470	20	30		FEEDMO
COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000595851680	673330131	/nfs/dbraw/zinc/33/01/31/673330131.db2.gz	IPANCGXHISWTBL-AKAXFMLLSA-N	1	1	363.845	2.470	20	30		FEEDMO
N#Cc1sccc1N1CCN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1	ZINC000595961108	673344092	/nfs/dbraw/zinc/34/40/92/673344092.db2.gz	PDBIJJNFZXYUPU-MRXNPFEDSA-N	1	1	362.405	2.247	20	30		FEEDMO
N#CC1(c2ccc(C[N@@H+]3CCC[C@@H](N4CCCS4(=O)=O)C3)cc2)CC1	ZINC000597116915	673449600	/nfs/dbraw/zinc/44/96/00/673449600.db2.gz	RJJYZSCPEATOGD-GOSISDBHSA-N	1	1	359.495	2.242	20	30		FEEDMO
C[N@H+](CCO)Cc1cc(NC(=O)CC2(C#N)CCOCC2)ccc1Cl	ZINC000597612618	673492957	/nfs/dbraw/zinc/49/29/57/673492957.db2.gz	YZKZZCBVOPSCIQ-UHFFFAOYSA-N	1	1	365.861	2.413	20	30		FEEDMO
C[N@@H+](CCO)Cc1cc(NC(=O)CC2(C#N)CCOCC2)ccc1Cl	ZINC000597612618	673492958	/nfs/dbraw/zinc/49/29/58/673492958.db2.gz	YZKZZCBVOPSCIQ-UHFFFAOYSA-N	1	1	365.861	2.413	20	30		FEEDMO
C=CC[C@H](CO)CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000540409207	673537820	/nfs/dbraw/zinc/53/78/20/673537820.db2.gz	BBINQMJWZGZEJM-CVEARBPZSA-N	1	1	351.516	2.444	20	30		FEEDMO
N#Cc1ccc(C[NH2+]CCCCN2CCN(c3ncccn3)CC2)s1	ZINC000540602696	673549081	/nfs/dbraw/zinc/54/90/81/673549081.db2.gz	ORTVMPMUFSVXGD-UHFFFAOYSA-N	1	1	356.499	2.102	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCC(C)(C)NC(=O)OC(C)(C)C)CC1	ZINC000737828278	673582727	/nfs/dbraw/zinc/58/27/27/673582727.db2.gz	ZEBZEUZHNVPXCD-UHFFFAOYSA-N	1	1	351.491	2.237	20	30		FEEDMO
CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1	ZINC000598596474	673587541	/nfs/dbraw/zinc/58/75/41/673587541.db2.gz	SCMJUTNAJRSKNU-KBPBESRZSA-N	1	1	363.424	2.410	20	30		FEEDMO
CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000598601062	673588109	/nfs/dbraw/zinc/58/81/09/673588109.db2.gz	DAWXZXPOACVYTB-DLBZAZTESA-N	1	1	365.499	2.193	20	30		FEEDMO
CC(C)(C)OC(=O)C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CCC1	ZINC000599454574	673677160	/nfs/dbraw/zinc/67/71/60/673677160.db2.gz	RCCQJGXSWCSOGB-MRXNPFEDSA-N	1	1	352.475	2.254	20	30		FEEDMO
CC(C)(C)OC(=O)C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CCC1	ZINC000599454574	673677162	/nfs/dbraw/zinc/67/71/62/673677162.db2.gz	RCCQJGXSWCSOGB-MRXNPFEDSA-N	1	1	352.475	2.254	20	30		FEEDMO
N#CC[C@@H](O)C[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1	ZINC000930603121	683758188	/nfs/dbraw/zinc/75/81/88/683758188.db2.gz	HSNMFCYEUJLRCS-DZGCQCFKSA-N	1	1	370.234	2.430	20	30		FEEDMO
COC[C@]1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1	ZINC000599691439	673707039	/nfs/dbraw/zinc/70/70/39/673707039.db2.gz	BWCKPCBWUXXRDG-KRWDZBQOSA-N	1	1	351.834	2.278	20	30		FEEDMO
N#CCc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000601376658	673851523	/nfs/dbraw/zinc/85/15/23/673851523.db2.gz	NMOQYQPZJIVRAJ-WMZOPIPTSA-N	1	1	359.495	2.390	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000601415287	673858807	/nfs/dbraw/zinc/85/88/07/673858807.db2.gz	RPESXMGBCOXFAI-XYPWUTKMSA-N	1	1	351.447	2.252	20	30		FEEDMO
CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000601445989	673863892	/nfs/dbraw/zinc/86/38/92/673863892.db2.gz	PHXAKYAOIVZJHV-OAHLLOKOSA-N	1	1	373.400	2.292	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1	ZINC000601462403	673866603	/nfs/dbraw/zinc/86/66/03/673866603.db2.gz	ZOOOLXFXNMXLCZ-ZDUSSCGKSA-N	1	1	353.463	2.405	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cc(C#N)c(Br)cn1	ZINC000603364848	673926663	/nfs/dbraw/zinc/92/66/63/673926663.db2.gz	DRJAJPBDKBEBSE-GFCCVEGCSA-N	1	1	365.275	2.405	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](OC(F)F)C2)c(OC)c1	ZINC000549077838	674015206	/nfs/dbraw/zinc/01/52/06/674015206.db2.gz	TZZLLVXLDXEZSD-GJZGRUSLSA-N	1	1	357.397	2.477	20	30		FEEDMO
CC(=O)NCC[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000566520447	675220861	/nfs/dbraw/zinc/22/08/61/675220861.db2.gz	QUSISYRQZHGONZ-CQSZACIVSA-N	1	1	362.861	2.388	20	30		FEEDMO
CC(=O)NCC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000566520447	675220863	/nfs/dbraw/zinc/22/08/63/675220863.db2.gz	QUSISYRQZHGONZ-CQSZACIVSA-N	1	1	362.861	2.388	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000818615830	675228713	/nfs/dbraw/zinc/22/87/13/675228713.db2.gz	WZZRULXKCJMOQN-INIZCTEOSA-N	1	1	351.491	2.095	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCn1cc(Br)cn1	ZINC000567022076	675260689	/nfs/dbraw/zinc/26/06/89/675260689.db2.gz	NYQLFORVWAXOLL-WFASDCNBSA-N	1	1	370.295	2.020	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCn1cc(Br)cn1	ZINC000567022076	675260691	/nfs/dbraw/zinc/26/06/91/675260691.db2.gz	NYQLFORVWAXOLL-WFASDCNBSA-N	1	1	370.295	2.020	20	30		FEEDMO
C#CCN(CC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)C(=O)OC(C)(C)C	ZINC000824627166	675614022	/nfs/dbraw/zinc/61/40/22/675614022.db2.gz	IONVPFVZJGQFFW-INIZCTEOSA-N	1	1	351.491	2.093	20	30		FEEDMO
C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000825838672	675670719	/nfs/dbraw/zinc/67/07/19/675670719.db2.gz	FDYIFSJXAQKYCN-CZUORRHYSA-N	1	1	354.372	2.434	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1	ZINC000828300245	675811760	/nfs/dbraw/zinc/81/17/60/675811760.db2.gz	UDAIEXQNXQHWPY-UHFFFAOYSA-N	1	1	362.495	2.040	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1	ZINC000828300245	675811761	/nfs/dbraw/zinc/81/17/61/675811761.db2.gz	UDAIEXQNXQHWPY-UHFFFAOYSA-N	1	1	362.495	2.040	20	30		FEEDMO
N#CCc1cccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1	ZINC000619473511	676378915	/nfs/dbraw/zinc/37/89/15/676378915.db2.gz	DREKFRCYPWFMTP-SFHVURJKSA-N	1	1	355.463	2.305	20	30		FEEDMO
N#CCc1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000619473511	676378916	/nfs/dbraw/zinc/37/89/16/676378916.db2.gz	DREKFRCYPWFMTP-SFHVURJKSA-N	1	1	355.463	2.305	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(S(C)(=O)=O)c(C)o1)C(C)C	ZINC000625558062	676657205	/nfs/dbraw/zinc/65/72/05/676657205.db2.gz	UMBPJILHCPNMBH-OAHLLOKOSA-N	1	1	368.499	2.420	20	30		FEEDMO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1	ZINC000629173041	676834533	/nfs/dbraw/zinc/83/45/33/676834533.db2.gz	LWZGQLFRIZGLIW-CYBMUJFWSA-N	1	1	358.360	2.067	20	30		FEEDMO
C=CCCn1cc(Cn2cc([C@@H]([NH3+])c3ccc(Cl)cc3F)nn2)nn1	ZINC000641182109	677196198	/nfs/dbraw/zinc/19/61/98/677196198.db2.gz	KKIDXXZVTIWGKK-INIZCTEOSA-N	1	1	361.812	2.335	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1	ZINC000838624002	680706693	/nfs/dbraw/zinc/70/66/93/680706693.db2.gz	BNLHIICAEVHASX-UHFFFAOYSA-N	1	1	362.861	2.309	20	30		FEEDMO
C#CCOc1ccccc1C[NH2+]Cc1cccc(S(=O)(=O)NCC)c1	ZINC000839148290	680741643	/nfs/dbraw/zinc/74/16/43/680741643.db2.gz	XPHMDDXVJBDFNT-UHFFFAOYSA-N	1	1	358.463	2.287	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)NCC2(S(C)(=O)=O)CCCCC2)CC1	ZINC000660596852	678362340	/nfs/dbraw/zinc/36/23/40/678362340.db2.gz	IYAFGEBSKUAIEO-UHFFFAOYSA-N	1	1	371.547	2.074	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](Cn2ccnn2)C1	ZINC000661142564	678440769	/nfs/dbraw/zinc/44/07/69/678440769.db2.gz	WXJFSSHACCDCRF-HOTGVXAUSA-N	1	1	359.499	2.265	20	30		FEEDMO
C=CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C(C)(C)C	ZINC000661760718	678530900	/nfs/dbraw/zinc/53/09/00/678530900.db2.gz	XUJKETOQJHDNIV-UHFFFAOYSA-N	1	1	359.879	2.212	20	30		FEEDMO
CON=CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC000839942199	680789577	/nfs/dbraw/zinc/78/95/77/680789577.db2.gz	GAOOPJGYGJTBOM-UHFFFAOYSA-N	1	1	354.248	2.162	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CCC[C@H](C(=O)NCCCCCC)C2)C1=O	ZINC000839980716	680791306	/nfs/dbraw/zinc/79/13/06/680791306.db2.gz	CKQYYFHRBMHYNC-KRWDZBQOSA-N	1	1	350.507	2.276	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)C1=O	ZINC000840065869	680795755	/nfs/dbraw/zinc/79/57/55/680795755.db2.gz	TVFJNJSHJRLUAM-GOSISDBHSA-N	1	1	352.479	2.104	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)C1=O	ZINC000840065869	680795756	/nfs/dbraw/zinc/79/57/56/680795756.db2.gz	TVFJNJSHJRLUAM-GOSISDBHSA-N	1	1	352.479	2.104	20	30		FEEDMO
C=CCn1c(-c2ccccn2)nn(CN2C[C@H]3CC[N@H+](C)[C@H]3C2)c1=S	ZINC000840133193	680801200	/nfs/dbraw/zinc/80/12/00/680801200.db2.gz	QAURRBIEEPQPRP-ZBFHGGJFSA-N	1	1	356.499	2.255	20	30		FEEDMO
C=CCC1(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCCC1	ZINC000663914979	678807979	/nfs/dbraw/zinc/80/79/79/678807979.db2.gz	CNRQJTZWZJEIKC-INIZCTEOSA-N	1	1	350.507	2.117	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CCSC[C@@H](C(=O)OC)C2)c(O)c(OC)c1	ZINC000840185874	680805470	/nfs/dbraw/zinc/80/54/70/680805470.db2.gz	IQLYBHBSYCMFSV-HNNXBMFYSA-N	1	1	351.468	2.467	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCS[C@@H](C)[C@H]1C	ZINC000669033438	679216095	/nfs/dbraw/zinc/21/60/95/679216095.db2.gz	PFODKHGYHDRCMY-QXSJWSMHSA-N	1	1	363.531	2.330	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCOCC2)C1	ZINC001015829240	680053025	/nfs/dbraw/zinc/05/30/25/680053025.db2.gz	PDOCWKKFSXYGJL-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2csc(Cl)n2)C1	ZINC001019500259	680094898	/nfs/dbraw/zinc/09/48/98/680094898.db2.gz	MGMFPIQCLYVQSR-UBHSHLNASA-N	1	1	355.891	2.468	20	30		FEEDMO
Cc1nc(SCC(=O)OCCC[NH+]2CCOCC2)c(C#N)c(C)c1C	ZINC000750877909	680137192	/nfs/dbraw/zinc/13/71/92/680137192.db2.gz	VCULLASGOGRLAL-UHFFFAOYSA-N	1	1	363.483	2.236	20	30		FEEDMO
C=CC[N@H+](CN1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1=O)C(C)C	ZINC000751593652	680188936	/nfs/dbraw/zinc/18/89/36/680188936.db2.gz	RKOLNIKKQYMOAG-OAHLLOKOSA-N	1	1	352.479	2.197	20	30		FEEDMO
C=CC[N@@H+](CN1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1=O)C(C)C	ZINC000751593652	680188937	/nfs/dbraw/zinc/18/89/37/680188937.db2.gz	RKOLNIKKQYMOAG-OAHLLOKOSA-N	1	1	352.479	2.197	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C(C)C)s2)C1	ZINC001022099704	680195930	/nfs/dbraw/zinc/19/59/30/680195930.db2.gz	OSECZCOFFNOOAB-BARDWOONSA-N	1	1	364.515	2.380	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCc2ccns2)C1	ZINC001023376074	680257638	/nfs/dbraw/zinc/25/76/38/680257638.db2.gz	VNTIIQVRBGVTTN-NXHRZFHOSA-N	1	1	363.527	2.495	20	30		FEEDMO
C=C(Br)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C	ZINC000995828431	680305344	/nfs/dbraw/zinc/30/53/44/680305344.db2.gz	XZCGOLRXEJSXJP-MGPQQGTHSA-N	1	1	358.324	2.062	20	30		FEEDMO
C=C(Br)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C	ZINC000995828431	680305349	/nfs/dbraw/zinc/30/53/49/680305349.db2.gz	XZCGOLRXEJSXJP-MGPQQGTHSA-N	1	1	358.324	2.062	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C)s1	ZINC001025111627	680313949	/nfs/dbraw/zinc/31/39/49/680313949.db2.gz	JGJVCVPHCFSZAF-VYDXJSESSA-N	1	1	364.515	2.298	20	30		FEEDMO
Oc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc(Br)c1O	ZINC000753936633	680325222	/nfs/dbraw/zinc/32/52/22/680325222.db2.gz	SWBDKBNDWKIDAF-GHMZBOCLSA-N	1	1	353.220	2.054	20	30		FEEDMO
N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)s1	ZINC001026896740	680352391	/nfs/dbraw/zinc/35/23/91/680352391.db2.gz	FPKOKEHETAHHRH-DAXOMENPSA-N	1	1	355.467	2.085	20	30		FEEDMO
C=C(Br)CN1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC001028550625	680374167	/nfs/dbraw/zinc/37/41/67/680374167.db2.gz	FFYCKPGUVRBDLL-QLFBSQMISA-N	1	1	358.324	2.063	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NCC2CN(CC#Cc3ccccc3Cl)C2)CC[N@H+]1C	ZINC001031681095	680406274	/nfs/dbraw/zinc/40/62/74/680406274.db2.gz	DGPSEUDPGIDZCJ-CRAIPNDOSA-N	1	1	359.901	2.080	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccccc2Cl)C1	ZINC001031987873	680410389	/nfs/dbraw/zinc/41/03/89/680410389.db2.gz	CSYBVHBGLNFXNL-NXHRZFHOSA-N	1	1	364.873	2.013	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1scnc1C	ZINC001032677329	680415590	/nfs/dbraw/zinc/41/55/90/680415590.db2.gz	IAVJJOOCAFTZQQ-OVWQWFNUSA-N	1	1	361.511	2.260	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1scnc1C	ZINC001032677329	680415591	/nfs/dbraw/zinc/41/55/91/680415591.db2.gz	IAVJJOOCAFTZQQ-OVWQWFNUSA-N	1	1	361.511	2.260	20	30		FEEDMO
C[NH+]1CCN(c2ncc(C=[NH+][N-]c3nc4ccccc4s3)cn2)CC1	ZINC000755464153	680416177	/nfs/dbraw/zinc/41/61/77/680416177.db2.gz	MWLBBDMAAIHGAP-UHFFFAOYSA-N	1	1	353.455	2.284	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3CCC)nn2)C1	ZINC001000022305	680417451	/nfs/dbraw/zinc/41/74/51/680417451.db2.gz	VADDXAHOIFPZCT-VNQPRFMTSA-N	1	1	351.882	2.330	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3CCC)nn2)C1	ZINC001000022305	680417454	/nfs/dbraw/zinc/41/74/54/680417454.db2.gz	VADDXAHOIFPZCT-VNQPRFMTSA-N	1	1	351.882	2.330	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)CC[C@H]2CCCO2)CC1	ZINC000985436405	680447789	/nfs/dbraw/zinc/44/77/89/680447789.db2.gz	ZAPWPLWHVOSKTL-QRVBRYPASA-N	1	1	350.503	2.460	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)s1	ZINC001001185532	680453772	/nfs/dbraw/zinc/45/37/72/680453772.db2.gz	KSMNXZCYCVZTHU-OLMNPRSZSA-N	1	1	357.479	2.436	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)s1	ZINC001001185532	680453773	/nfs/dbraw/zinc/45/37/73/680453773.db2.gz	KSMNXZCYCVZTHU-OLMNPRSZSA-N	1	1	357.479	2.436	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1nnn(-c2cccc(Cl)c2)c1C	ZINC000756542426	680484401	/nfs/dbraw/zinc/48/44/01/680484401.db2.gz	ITSUBYHXWVNUJR-INIZCTEOSA-N	1	1	358.829	2.484	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1nnn(-c2cccc(Cl)c2)c1C	ZINC000756542426	680484403	/nfs/dbraw/zinc/48/44/03/680484403.db2.gz	ITSUBYHXWVNUJR-INIZCTEOSA-N	1	1	358.829	2.484	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1	ZINC000986157911	680497075	/nfs/dbraw/zinc/49/70/75/680497075.db2.gz	JSLPETIJLAZMQU-OWCLPIDISA-N	1	1	367.921	2.166	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@H](O)C2CCCCC2)C1	ZINC001044039104	680607037	/nfs/dbraw/zinc/60/70/37/680607037.db2.gz	RZURQWZJZCSPQR-FHWLQOOXSA-N	1	1	350.503	2.051	20	30		FEEDMO
N#Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)s1	ZINC001045075394	680621323	/nfs/dbraw/zinc/62/13/23/680621323.db2.gz	ADIZTCLPAZVLQU-APHBMKBZSA-N	1	1	355.467	2.227	20	30		FEEDMO
CCCCCCCCCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1	ZINC000841658536	680904954	/nfs/dbraw/zinc/90/49/54/680904954.db2.gz	AWHVAVKZPHPTOP-KRWDZBQOSA-N	1	1	352.523	2.343	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](Cc3scnc3C)C[C@H]21	ZINC001050143810	681042370	/nfs/dbraw/zinc/04/23/70/681042370.db2.gz	GTHYCRQZDNVOKO-HZMVEIRTSA-N	1	1	361.511	2.465	20	30		FEEDMO
C#CC[N@H+](C[C@@H]1CCC(=O)N1)[C@@H]1CCOc2ccc(Br)cc21	ZINC000844296509	681048654	/nfs/dbraw/zinc/04/86/54/681048654.db2.gz	JEDPXVCBPHQGRB-DZGCQCFKSA-N	1	1	363.255	2.487	20	30		FEEDMO
C#CC[N@@H+](C[C@@H]1CCC(=O)N1)[C@@H]1CCOc2ccc(Br)cc21	ZINC000844296509	681048658	/nfs/dbraw/zinc/04/86/58/681048658.db2.gz	JEDPXVCBPHQGRB-DZGCQCFKSA-N	1	1	363.255	2.487	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCc2sccc2C1)C[C@H](O)c1cccc(C#N)c1	ZINC000844364574	681054147	/nfs/dbraw/zinc/05/41/47/681054147.db2.gz	DKXVBRGOSJJIKG-KRWDZBQOSA-N	1	1	355.463	2.170	20	30		FEEDMO
C[N@H+](CC(=O)N1CCc2sccc2C1)C[C@H](O)c1cccc(C#N)c1	ZINC000844364574	681054151	/nfs/dbraw/zinc/05/41/51/681054151.db2.gz	DKXVBRGOSJJIKG-KRWDZBQOSA-N	1	1	355.463	2.170	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C	ZINC000771445686	681056062	/nfs/dbraw/zinc/05/60/62/681056062.db2.gz	FGENYJJOIGIQEG-UHFFFAOYSA-N	1	1	352.479	2.080	20	30		FEEDMO
COCCOCC[NH+]1CCN(Cc2cc(Cl)ccc2OCC#N)CC1	ZINC000844467714	681060884	/nfs/dbraw/zinc/06/08/84/681060884.db2.gz	MSCFZJBWMHNNIF-UHFFFAOYSA-N	1	1	367.877	2.023	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCOCC2)CC1	ZINC001052388344	681076412	/nfs/dbraw/zinc/07/64/12/681076412.db2.gz	GBOPKOSAFRWGIK-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001052493131	681080045	/nfs/dbraw/zinc/08/00/45/681080045.db2.gz	OGJWNBQZAXDHHZ-ZNMIVQPWSA-N	1	1	364.408	2.270	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(OC)ns2)CC1	ZINC001052723793	681084666	/nfs/dbraw/zinc/08/46/66/681084666.db2.gz	UYGRQMKKBQNWBM-IMJJTQAJSA-N	1	1	365.499	2.214	20	30		FEEDMO
CC[C@H](CSC)[N@H+](C)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000773253589	681133134	/nfs/dbraw/zinc/13/31/34/681133134.db2.gz	CXKGOTMKPLGJNF-CRAIPNDOSA-N	1	1	360.483	2.356	20	30		FEEDMO
CC[C@H](CSC)[N@@H+](C)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000773253589	681133135	/nfs/dbraw/zinc/13/31/35/681133135.db2.gz	CXKGOTMKPLGJNF-CRAIPNDOSA-N	1	1	360.483	2.356	20	30		FEEDMO
Cc1nc(N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C(F)(F)F)c(C)c(C)[nH+]1	ZINC001055606428	681144069	/nfs/dbraw/zinc/14/40/69/681144069.db2.gz	JHZWDVASLBFQGR-ZEGGKSINSA-N	1	1	355.364	2.363	20	30		FEEDMO
CCc1nc(N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C(F)(F)F)cc(C)[nH+]1	ZINC001055607479	681144306	/nfs/dbraw/zinc/14/43/06/681144306.db2.gz	QQKBMMGPULAEGA-YUSALJHKSA-N	1	1	355.364	2.308	20	30		FEEDMO
C=CCNS(=O)(=O)c1cccc(C(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)c1	ZINC000845739008	681149742	/nfs/dbraw/zinc/14/97/42/681149742.db2.gz	DJGPXYFKAYHDFR-OAHLLOKOSA-N	1	1	366.483	2.181	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@H+]1C	ZINC001056802927	681156809	/nfs/dbraw/zinc/15/68/09/681156809.db2.gz	KZSKNNWYPQXKAB-IJEWVQPXSA-N	1	1	361.877	2.350	20	30		FEEDMO
COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000773966255	681162441	/nfs/dbraw/zinc/16/24/41/681162441.db2.gz	WDWJGNIROBDSEM-YOEHRIQHSA-N	1	1	368.861	2.088	20	30		FEEDMO
COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000773966255	681162445	/nfs/dbraw/zinc/16/24/45/681162445.db2.gz	WDWJGNIROBDSEM-YOEHRIQHSA-N	1	1	368.861	2.088	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001058573768	681172953	/nfs/dbraw/zinc/17/29/53/681172953.db2.gz	WBHKGHIBWPKQFM-GMXVVIOVSA-N	1	1	367.906	2.093	20	30		FEEDMO
N#CC[C@@H](NC(=O)N1CC[NH+](CCc2ccccc2)CC1)C(F)(F)F	ZINC000932927303	681329578	/nfs/dbraw/zinc/32/95/78/681329578.db2.gz	ULTZKWHZCQYGGP-OAHLLOKOSA-N	1	1	354.376	2.401	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1nc2ccc(OCC)cc2s1)[C@H]1CCCO1	ZINC000775788615	681335042	/nfs/dbraw/zinc/33/50/42/681335042.db2.gz	ICUSUERULZEWLG-UKRRQHHQSA-N	1	1	359.451	2.404	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1sc(CC)cc1C(=O)OCC)[C@H]1CCCO1	ZINC000775796869	681336138	/nfs/dbraw/zinc/33/61/38/681336138.db2.gz	AQGVAAUTUXLXEW-LSDHHAIUSA-N	1	1	364.467	2.196	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCc2ccc3c(c2)OC(F)(F)O3)CC1	ZINC000847416537	681376032	/nfs/dbraw/zinc/37/60/32/681376032.db2.gz	NJBIXUPUIHFGLL-UHFFFAOYSA-N	1	1	350.365	2.108	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH2+][C@H](CO)c1ccccc1C(F)(F)F)C1CC1	ZINC000933248874	681380275	/nfs/dbraw/zinc/38/02/75/681380275.db2.gz	WAHFKVKFTGYUMS-GDBMZVCRSA-N	1	1	355.360	2.137	20	30		FEEDMO
C[C@H]1C[NH+]=C(NN=Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)N1	ZINC000777443344	681494002	/nfs/dbraw/zinc/49/40/02/681494002.db2.gz	RZQMCWGUZVUVEN-NSHDSACASA-N	1	1	350.348	2.221	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Nc2c(Br)cnn2C2CC2)C1	ZINC000934363297	681557165	/nfs/dbraw/zinc/55/71/65/681557165.db2.gz	NWBWALIDSNLOJP-NSHDSACASA-N	1	1	366.263	2.200	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2c(Br)cnn2C2CC2)C1	ZINC000934363297	681557173	/nfs/dbraw/zinc/55/71/73/681557173.db2.gz	NWBWALIDSNLOJP-NSHDSACASA-N	1	1	366.263	2.200	20	30		FEEDMO
CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1	ZINC000934752912	681621767	/nfs/dbraw/zinc/62/17/67/681621767.db2.gz	DZFDBIREMPNWDX-DEOSSOPVSA-N	1	1	352.479	2.484	20	30		FEEDMO
C=C(Cl)CN1CCOC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1	ZINC000949370457	681635744	/nfs/dbraw/zinc/63/57/44/681635744.db2.gz	SOVFLCVPGOACJX-DLBZAZTESA-N	1	1	369.937	2.163	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[NH+]1CCC(C(=O)NCCCO)CC1	ZINC000779153802	681685289	/nfs/dbraw/zinc/68/52/89/681685289.db2.gz	LLAXJHVVWITOBC-UHFFFAOYSA-N	1	1	364.873	2.063	20	30		FEEDMO
C=CC1(CC(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)CN(C(=O)OC(C)(C)C)C1	ZINC000935190307	681707791	/nfs/dbraw/zinc/70/77/91/681707791.db2.gz	PWWZFKPULRSYLB-LSDHHAIUSA-N	1	1	351.491	2.351	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)CC(C)(C)C#N)cc1F	ZINC000913968069	685490668	/nfs/dbraw/zinc/49/06/68/685490668.db2.gz	HDPFSLDPMHSJIR-UHFFFAOYSA-N	1	1	350.419	2.289	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000914259273	685501304	/nfs/dbraw/zinc/50/13/04/685501304.db2.gz	OPHITJFTQJPRDB-MJGOQNOKSA-N	1	1	361.511	2.421	20	30		FEEDMO
COc1ccc([N-][NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1Cl	ZINC000782228879	682019712	/nfs/dbraw/zinc/01/97/12/682019712.db2.gz	ANGYTTQFASIRBA-UHFFFAOYSA-N	1	1	360.849	2.336	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)Cc1csc(C#N)c1)CCC(F)(F)F	ZINC000914430953	685507947	/nfs/dbraw/zinc/50/79/47/685507947.db2.gz	QTHMIXWZZBTXQU-UHFFFAOYSA-N	1	1	369.434	2.313	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)Cc1csc(C#N)c1)CCC(F)(F)F	ZINC000914430953	685507948	/nfs/dbraw/zinc/50/79/48/685507948.db2.gz	QTHMIXWZZBTXQU-UHFFFAOYSA-N	1	1	369.434	2.313	20	30		FEEDMO
Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(S(=O)(=O)CC(C)(C)C#N)C1	ZINC000915053757	685511589	/nfs/dbraw/zinc/51/15/89/685511589.db2.gz	YHUPRFZWMVFLLA-CQSZACIVSA-N	1	1	370.544	2.085	20	30		FEEDMO
FC(F)(F)c1ccccc1C=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000916310406	685523530	/nfs/dbraw/zinc/52/35/30/685523530.db2.gz	SAAKKCPGZMNIMW-UHFFFAOYSA-N	1	1	374.432	2.226	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cs1	ZINC000917395046	685531783	/nfs/dbraw/zinc/53/17/83/685531783.db2.gz	GVEFCTIRUMROAJ-CQSZACIVSA-N	1	1	353.513	2.446	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC000969691826	682272910	/nfs/dbraw/zinc/27/29/10/682272910.db2.gz	XXRDUHDLMUDGBU-DOPJRALCSA-N	1	1	360.527	2.287	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CC(CC)CC)CCO2	ZINC000972562010	682422480	/nfs/dbraw/zinc/42/24/80/682422480.db2.gz	ZGSVTENNDLPEJH-WSTZPKSXSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	ZINC000787602771	682467899	/nfs/dbraw/zinc/46/78/99/682467899.db2.gz	IQSFMBMLLDTISU-AWEZNQCLSA-N	1	1	355.316	2.327	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	ZINC000787602771	682467901	/nfs/dbraw/zinc/46/79/01/682467901.db2.gz	IQSFMBMLLDTISU-AWEZNQCLSA-N	1	1	355.316	2.327	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC1(C)C	ZINC000854663697	682577009	/nfs/dbraw/zinc/57/70/09/682577009.db2.gz	DCTIHZCKDCZOLZ-OAHLLOKOSA-N	1	1	351.491	2.093	20	30		FEEDMO
C=CCCOCCCCC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000926167591	683086835	/nfs/dbraw/zinc/08/68/35/683086835.db2.gz	TXEPEFFSNSTEDU-LFGUQSLTSA-N	1	1	352.519	2.345	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O)OCC	ZINC000926260084	683100407	/nfs/dbraw/zinc/10/04/07/683100407.db2.gz	WRWFCIGMOOKZHC-HPUSYDDDSA-N	1	1	352.519	2.344	20	30		FEEDMO
C#CCNC(=O)C[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1	ZINC000859441229	683110584	/nfs/dbraw/zinc/11/05/84/683110584.db2.gz	JUVSPIGGPBDLHH-AWEZNQCLSA-N	1	1	353.285	2.365	20	30		FEEDMO
C#CCNC(=O)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1	ZINC000859441229	683110586	/nfs/dbraw/zinc/11/05/86/683110586.db2.gz	JUVSPIGGPBDLHH-AWEZNQCLSA-N	1	1	353.285	2.365	20	30		FEEDMO
CC[N@H+](CCNC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C	ZINC000859529045	683123730	/nfs/dbraw/zinc/12/37/30/683123730.db2.gz	HYHGZBGCOOJHQR-KDOFPFPSSA-N	1	1	354.495	2.276	20	30		FEEDMO
CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C	ZINC000859529045	683123733	/nfs/dbraw/zinc/12/37/33/683123733.db2.gz	HYHGZBGCOOJHQR-KDOFPFPSSA-N	1	1	354.495	2.276	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cnccc1NC(=O)OC(C)(C)C	ZINC000796931695	683207978	/nfs/dbraw/zinc/20/79/78/683207978.db2.gz	HANOWFJMTDRZDN-CYBMUJFWSA-N	1	1	369.487	2.102	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000928103242	683393756	/nfs/dbraw/zinc/39/37/56/683393756.db2.gz	LOBVAPOTFWPEDM-IRXDYDNUSA-N	1	1	359.495	2.412	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12	ZINC000928103242	683393764	/nfs/dbraw/zinc/39/37/64/683393764.db2.gz	LOBVAPOTFWPEDM-IRXDYDNUSA-N	1	1	359.495	2.412	20	30		FEEDMO
C#CCOCCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000928121709	683399399	/nfs/dbraw/zinc/39/93/99/683399399.db2.gz	KGQFBYOGNQZLHS-HZPDHXFCSA-N	1	1	354.372	2.205	20	30		FEEDMO
C#CCOCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000928121709	683399407	/nfs/dbraw/zinc/39/94/07/683399407.db2.gz	KGQFBYOGNQZLHS-HZPDHXFCSA-N	1	1	354.372	2.205	20	30		FEEDMO
CC(=NNCCC[NH+]1CCOCC1)c1cc(Br)cc(C)c1O	ZINC000799490140	683460219	/nfs/dbraw/zinc/46/02/19/683460219.db2.gz	QNXBTHOVCWVWQS-UHFFFAOYSA-N	1	1	370.291	2.499	20	30		FEEDMO
CCOC(=O)C(F)(F)[C@@H]1CCCC(=NNCCC[NH+]2CCOCC2)C1	ZINC000799490555	683460804	/nfs/dbraw/zinc/46/08/04/683460804.db2.gz	JHGVBDCUOMGDAS-CQSZACIVSA-N	1	1	361.433	2.043	20	30		FEEDMO
C[C@H](CC[NH+]1CCN(C)CC1)NCc1cc(C#N)ccc1Br	ZINC000922011548	683636549	/nfs/dbraw/zinc/63/65/49/683636549.db2.gz	KAGDWVZCNGMDPE-CQSZACIVSA-N	1	1	365.319	2.436	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1	ZINC000930495245	683742957	/nfs/dbraw/zinc/74/29/57/683742957.db2.gz	ACYBKSLUWPSKRE-MRXNPFEDSA-N	1	1	361.511	2.469	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1	ZINC000922630007	683758246	/nfs/dbraw/zinc/75/82/46/683758246.db2.gz	NJZINLQSOANKNT-HNNXBMFYSA-N	1	1	360.527	2.476	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1	ZINC000931146748	683841711	/nfs/dbraw/zinc/84/17/11/683841711.db2.gz	IWPDUZDYDXMNSM-CQSZACIVSA-N	1	1	357.479	2.103	20	30		FEEDMO
C[N@H+]1CC[C@@H](Cn2nnnc2Sc2cc(C(F)(F)F)cc(C#N)n2)C1	ZINC000865620596	684006377	/nfs/dbraw/zinc/00/63/77/684006377.db2.gz	NPYMLAPFARSXBL-SECBINFHSA-N	1	1	369.376	2.061	20	30		FEEDMO
C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cccc(C#N)c1O	ZINC000866227264	684084571	/nfs/dbraw/zinc/08/45/71/684084571.db2.gz	XONJYUMBJJHSFC-ZDUSSCGKSA-N	1	1	359.451	2.365	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2S[C@@H](C)C(=O)OC)C1	ZINC000923587049	684309314	/nfs/dbraw/zinc/30/93/14/684309314.db2.gz	VDOHZNUVERXKEE-LSDHHAIUSA-N	1	1	360.479	2.168	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2S[C@@H](C)C(=O)OC)C1	ZINC000923587049	684309318	/nfs/dbraw/zinc/30/93/18/684309318.db2.gz	VDOHZNUVERXKEE-LSDHHAIUSA-N	1	1	360.479	2.168	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)C1	ZINC000923591917	684310363	/nfs/dbraw/zinc/31/03/63/684310363.db2.gz	HFODRIPYFSITGG-ROUUACIJSA-N	1	1	361.873	2.121	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)C1	ZINC000923591917	684310365	/nfs/dbraw/zinc/31/03/65/684310365.db2.gz	HFODRIPYFSITGG-ROUUACIJSA-N	1	1	361.873	2.121	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C2OCCO2)C1	ZINC000932003599	684386537	/nfs/dbraw/zinc/38/65/37/684386537.db2.gz	WRXKTQZTDKQVNO-LSDHHAIUSA-N	1	1	350.484	2.346	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)NCC[N@@H+](C)C2CCCC2)c1	ZINC000932046317	684397757	/nfs/dbraw/zinc/39/77/57/684397757.db2.gz	MZJHTVGSFRIZMM-UHFFFAOYSA-N	1	1	362.495	2.088	20	30		FEEDMO
COc1ccc([C@@H]2CN(C(=O)c3ncc(C#N)cc3Cl)CC[NH2+]2)cc1	ZINC000870143568	684687443	/nfs/dbraw/zinc/68/74/43/684687443.db2.gz	VSQXNKBVPIPRCK-INIZCTEOSA-N	1	1	356.813	2.402	20	30		FEEDMO
C=CCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1	ZINC000872296737	684935705	/nfs/dbraw/zinc/93/57/05/684935705.db2.gz	YQXHPNUXSDMAHZ-KFWWJZLASA-N	1	1	351.447	2.077	20	30		FEEDMO
N#Cc1cc(F)c(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1Br	ZINC000872758413	685013515	/nfs/dbraw/zinc/01/35/15/685013515.db2.gz	ZOKOQNLNKNUMBA-NWDGAFQWSA-N	1	1	354.223	2.105	20	30		FEEDMO
C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c1O	ZINC000872793700	685016387	/nfs/dbraw/zinc/01/63/87/685016387.db2.gz	CKRVTWOOHZPHSY-DOTOQJQBSA-N	1	1	365.495	2.386	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@@H](C[N@@H+]1CC[C@@](O)(CC#N)C1)CC(F)(F)F	ZINC000877606161	686420783	/nfs/dbraw/zinc/42/07/83/686420783.db2.gz	RGCRLDOCLNALNK-RISCZKNCSA-N	1	1	351.369	2.183	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@@H](C[N@H+]1CC[C@@](O)(CC#N)C1)CC(F)(F)F	ZINC000877606161	686420789	/nfs/dbraw/zinc/42/07/89/686420789.db2.gz	RGCRLDOCLNALNK-RISCZKNCSA-N	1	1	351.369	2.183	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCCSC[C@H]1c1ccccc1OC	ZINC000880172857	687010316	/nfs/dbraw/zinc/01/03/16/687010316.db2.gz	QPNDDTKHQPVOFA-HNNXBMFYSA-N	1	1	363.483	2.187	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCCSC[C@H]1c1ccccc1OC	ZINC000880172857	687010322	/nfs/dbraw/zinc/01/03/22/687010322.db2.gz	QPNDDTKHQPVOFA-HNNXBMFYSA-N	1	1	363.483	2.187	20	30		FEEDMO
CO[C@@H]1COCC[C@@H]1[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000880423057	687046236	/nfs/dbraw/zinc/04/62/36/687046236.db2.gz	BJJBUNGNWNZXPB-DLBZAZTESA-N	1	1	365.861	2.322	20	30		FEEDMO
CO[C@@H]1COCC[C@@H]1[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000880423057	687046237	/nfs/dbraw/zinc/04/62/37/687046237.db2.gz	BJJBUNGNWNZXPB-DLBZAZTESA-N	1	1	365.861	2.322	20	30		FEEDMO
CO[C@H]1COCC[C@@H]1[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000880429610	687047405	/nfs/dbraw/zinc/04/74/05/687047405.db2.gz	IAQRVGNUNLDQBC-GJZGRUSLSA-N	1	1	363.483	2.173	20	30		FEEDMO
C#CCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CC1	ZINC000880477606	687052565	/nfs/dbraw/zinc/05/25/65/687052565.db2.gz	LEMPBSGJIVXKEV-CYBMUJFWSA-N	1	1	352.381	2.465	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]3CCNC(=O)[C@@H]32)cc1Cl	ZINC000880527862	687057936	/nfs/dbraw/zinc/05/79/36/687057936.db2.gz	VTEWVTPACXFMQJ-YVEFUNNKSA-N	1	1	360.845	2.141	20	30		FEEDMO
C[C@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000880710427	687077158	/nfs/dbraw/zinc/07/71/58/687077158.db2.gz	NRSLUESAZRNNQY-UTUOFQBUSA-N	1	1	352.385	2.456	20	30		FEEDMO
C[C@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000880710427	687077161	/nfs/dbraw/zinc/07/71/61/687077161.db2.gz	NRSLUESAZRNNQY-UTUOFQBUSA-N	1	1	352.385	2.456	20	30		FEEDMO
C=CCCc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1	ZINC000881921123	687261157	/nfs/dbraw/zinc/26/11/57/687261157.db2.gz	XBSOGJVCGLJJPG-GOSISDBHSA-N	1	1	366.527	2.320	20	30		FEEDMO
C=CCCS(=O)(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2	ZINC000882789950	687491180	/nfs/dbraw/zinc/49/11/80/687491180.db2.gz	JLVXJEXEBKBKDE-PKOBYXMFSA-N	1	1	364.511	2.258	20	30		FEEDMO
C=CCCS(=O)(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2	ZINC000882789950	687491184	/nfs/dbraw/zinc/49/11/84/687491184.db2.gz	JLVXJEXEBKBKDE-PKOBYXMFSA-N	1	1	364.511	2.258	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(SC)c(C#N)c1	ZINC000884160711	687804608	/nfs/dbraw/zinc/80/46/08/687804608.db2.gz	MEFHYLMNPUJAFE-INIZCTEOSA-N	1	1	362.499	2.190	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000884951999	687972610	/nfs/dbraw/zinc/97/26/10/687972610.db2.gz	KFDIFKUZMBDWAH-ZIAGYGMSSA-N	1	1	373.400	2.482	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000886412531	688249113	/nfs/dbraw/zinc/24/91/13/688249113.db2.gz	JYTRWVSSMVNNAL-OAHLLOKOSA-N	1	1	352.479	2.080	20	30		FEEDMO
C=CCC1(O)CC[NH+](CCCOc2ccc(S(C)(=O)=O)cc2)CC1	ZINC000886764392	688303390	/nfs/dbraw/zinc/30/33/90/688303390.db2.gz	RUDUOURUYKRXGR-UHFFFAOYSA-N	1	1	353.484	2.262	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)NCc2nc(C#N)cs2)C[N@H+]1Cc1ccccc1	ZINC000893621235	689376487	/nfs/dbraw/zinc/37/64/87/689376487.db2.gz	LCGRGXJYQIRYCM-DZGCQCFKSA-N	1	1	355.467	2.477	20	30		FEEDMO
C#C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)c1ccc(Cl)cc1	ZINC000895684897	689754421	/nfs/dbraw/zinc/75/44/21/689754421.db2.gz	GTAAGTPSEGCHAX-RCCFBDPRSA-N	1	1	361.873	2.255	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C	ZINC000896540833	689889040	/nfs/dbraw/zinc/88/90/40/689889040.db2.gz	YUNJPHPNQNWHHI-CJNGLKHVSA-N	1	1	356.495	2.446	20	30		FEEDMO
N#Cc1cccc(Br)c1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO	ZINC000897220112	689990241	/nfs/dbraw/zinc/99/02/41/689990241.db2.gz	SNYHYWVVYBKBBJ-LSDHHAIUSA-N	1	1	350.260	2.356	20	30		FEEDMO
N#Cc1cccc(Br)c1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000897220112	689990244	/nfs/dbraw/zinc/99/02/44/689990244.db2.gz	SNYHYWVVYBKBBJ-LSDHHAIUSA-N	1	1	350.260	2.356	20	30		FEEDMO
C[C@H](CNC(=O)c1cccc(C#CCO)c1)[N@@H+]1CCc2sccc2C1	ZINC000900157738	690477076	/nfs/dbraw/zinc/47/70/76/690477076.db2.gz	IEKXIXYLJQWKRZ-OAHLLOKOSA-N	1	1	354.475	2.269	20	30		FEEDMO
C[C@H](CNC(=O)c1cccc(C#CCO)c1)[N@H+]1CCc2sccc2C1	ZINC000900157738	690477078	/nfs/dbraw/zinc/47/70/78/690477078.db2.gz	IEKXIXYLJQWKRZ-OAHLLOKOSA-N	1	1	354.475	2.269	20	30		FEEDMO
O=C(CC(F)(F)C(F)F)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000900361123	690507527	/nfs/dbraw/zinc/50/75/27/690507527.db2.gz	ZNPADNSVTCBYJK-UHFFFAOYSA-N	1	1	368.293	2.390	20	30		FEEDMO
N#C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccc(Cl)c(Cl)c1	ZINC000900643311	690542344	/nfs/dbraw/zinc/54/23/44/690542344.db2.gz	KPUWXTQKFQPYHE-DOMZBBRYSA-N	1	1	354.237	2.395	20	30		FEEDMO
NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC#C[C@@H]1CCCCO1	ZINC000901704488	690681870	/nfs/dbraw/zinc/68/18/70/690681870.db2.gz	VDDJDJZYWCLCLA-HOTGVXAUSA-N	1	1	354.372	2.264	20	30		FEEDMO
C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1cc(C#N)ccn1	ZINC000902774472	690806880	/nfs/dbraw/zinc/80/68/80/690806880.db2.gz	HQHYVFYEKPQESG-GFCCVEGCSA-N	1	1	364.858	2.236	20	30		FEEDMO
N#Cc1sc2ccccc2c1S(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000906990647	691363004	/nfs/dbraw/zinc/36/30/04/691363004.db2.gz	GBZMNRDXFSLAAY-ZDUSSCGKSA-N	1	1	359.476	2.408	20	30		FEEDMO
C#Cc1ccc(S(=O)(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1	ZINC000907199068	691420601	/nfs/dbraw/zinc/42/06/01/691420601.db2.gz	PMBHARWCOHGWSK-UHFFFAOYSA-N	1	1	355.463	2.450	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C#N)cc1C#N)C2	ZINC001164806382	720094162	/nfs/dbraw/zinc/09/41/62/720094162.db2.gz	BTZGDOYKFYYYIG-ICSRJNTNSA-N	1	1	351.454	2.010	20	30		FEEDMO
C=CCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164732043	720436094	/nfs/dbraw/zinc/43/60/94/720436094.db2.gz	MWZSBYKIXZFSPI-MOPGFXCFSA-N	1	1	363.465	2.246	20	30		FEEDMO
N#Cc1ccc2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1	ZINC001164741592	720676860	/nfs/dbraw/zinc/67/68/60/720676860.db2.gz	UHRUFVVHCAJLGU-QZTJIDSGSA-N	1	1	372.432	2.238	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5ccc(C#N)cc54)C[C@@H]3C2)cn1	ZINC001164761053	721091958	/nfs/dbraw/zinc/09/19/58/721091958.db2.gz	ALNHMURJKAABKW-ROUUACIJSA-N	1	1	373.464	2.193	20	30		FEEDMO
Cc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(C#N)n1	ZINC001164903343	721539130	/nfs/dbraw/zinc/53/91/30/721539130.db2.gz	CDFBZGAKXSZZTQ-DOTOQJQBSA-N	1	1	353.401	2.138	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1	ZINC000513101398	810775332	/nfs/dbraw/zinc/77/53/32/810775332.db2.gz	GQOVOUJHBKMLNE-UHFFFAOYSA-N	1	1	356.405	2.443	20	30		FEEDMO
N#Cc1ccc(NCC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc1	ZINC000497870434	887706459	/nfs/dbraw/zinc/70/64/59/887706459.db2.gz	WPRQEEUSOWKSHA-INIZCTEOSA-N	1	1	369.494	2.455	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cc(I)ccc1F	ZINC000818599485	675227554	/nfs/dbraw/zinc/22/75/54/675227554.db2.gz	SVNORLDSBCTJLA-UHFFFAOYSA-N	1	1	374.197	2.115	20	30		FEEDMO
CNC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1	ZINC000012333631	539555372	/nfs/dbraw/zinc/55/53/72/539555372.db2.gz	WCQNIBYGYVTSRE-UHFFFAOYSA-N	1	1	356.470	2.008	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc(=O)n4ccccc4n3)CC2)cc1	ZINC000021405852	539682992	/nfs/dbraw/zinc/68/29/92/539682992.db2.gz	LVKLZFMQHRDLPT-UHFFFAOYSA-N	1	1	373.460	2.274	20	30		FEEDMO
N#Cc1ccc(CN2CCC[N@@H+](Cc3cc(=O)n4ccccc4n3)CC2)cc1	ZINC000021405852	539682994	/nfs/dbraw/zinc/68/29/94/539682994.db2.gz	LVKLZFMQHRDLPT-UHFFFAOYSA-N	1	1	373.460	2.274	20	30		FEEDMO
N#Cc1ccc(CN2CCC[N@H+](Cc3cc(=O)n4ccccc4n3)CC2)cc1	ZINC000021405852	539682996	/nfs/dbraw/zinc/68/29/96/539682996.db2.gz	LVKLZFMQHRDLPT-UHFFFAOYSA-N	1	1	373.460	2.274	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000026062204	539775636	/nfs/dbraw/zinc/77/56/36/539775636.db2.gz	XXQIQYMXIOBZNX-AEFFLSMTSA-N	1	1	359.470	2.189	20	30		FEEDMO
Cc1cc(NC(=O)C2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)no1	ZINC000028752320	539837077	/nfs/dbraw/zinc/83/70/77/539837077.db2.gz	HFFOGLXYROFAGS-UHFFFAOYSA-N	1	1	367.409	2.144	20	30		FEEDMO
N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1	ZINC000030532167	539883963	/nfs/dbraw/zinc/88/39/63/539883963.db2.gz	LWAVGEXYNIOWNX-OAHLLOKOSA-N	1	1	373.403	2.398	20	30		FEEDMO
CC(C)N(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000030271824	539876929	/nfs/dbraw/zinc/87/69/29/539876929.db2.gz	UFKQGNYGJWFXOI-HNNXBMFYSA-N	1	1	356.470	2.464	20	30		FEEDMO
C=CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1OC	ZINC000032269424	539933498	/nfs/dbraw/zinc/93/34/98/539933498.db2.gz	KOAZGNYGUVFTEC-KRWDZBQOSA-N	1	1	362.470	2.347	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000041956549	540041984	/nfs/dbraw/zinc/04/19/84/540041984.db2.gz	WOKGNZKWOWPQEX-OAHLLOKOSA-N	1	1	362.433	2.060	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1	ZINC000041956549	540041986	/nfs/dbraw/zinc/04/19/86/540041986.db2.gz	WOKGNZKWOWPQEX-OAHLLOKOSA-N	1	1	362.433	2.060	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1	ZINC000042979235	540084989	/nfs/dbraw/zinc/08/49/89/540084989.db2.gz	XWHATIMRXVXYJX-JXFKEZNVSA-N	1	1	362.518	2.154	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1	ZINC000076272833	542253706	/nfs/dbraw/zinc/25/37/06/542253706.db2.gz	GBJOMFSWZYXFHG-INIZCTEOSA-N	1	1	357.454	2.326	20	30		FEEDMO
C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000046343131	540252500	/nfs/dbraw/zinc/25/25/00/540252500.db2.gz	IVWSWGMBKKQTQK-QGZVFWFLSA-N	1	1	354.406	2.201	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1	ZINC000048159436	540348363	/nfs/dbraw/zinc/34/83/63/540348363.db2.gz	BXMWAQZUYHXGCV-GOSISDBHSA-N	1	1	374.485	2.081	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1	ZINC000050173935	540402317	/nfs/dbraw/zinc/40/23/17/540402317.db2.gz	HWQQQWNTOMYMIR-AWEZNQCLSA-N	1	1	372.469	2.132	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1	ZINC000051132417	540423567	/nfs/dbraw/zinc/42/35/67/540423567.db2.gz	XPWPPPIPNRSYAC-RYQLBKOJSA-N	1	1	359.470	2.486	20	30		FEEDMO
N#Cc1ccsc1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000052032385	540451993	/nfs/dbraw/zinc/45/19/93/540451993.db2.gz	BQAZDGMJDHRNQP-HNNXBMFYSA-N	1	1	354.435	2.322	20	30		FEEDMO
N#Cc1ccsc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000052032385	540451997	/nfs/dbraw/zinc/45/19/97/540451997.db2.gz	BQAZDGMJDHRNQP-HNNXBMFYSA-N	1	1	354.435	2.322	20	30		FEEDMO
COc1ccc(N2CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1	ZINC000052465839	540467224	/nfs/dbraw/zinc/46/72/24/540467224.db2.gz	FCHVABJHIIZILF-HXUWFJFHSA-N	1	1	358.486	2.262	20	30		FEEDMO
COc1ccc(N2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1	ZINC000052465839	540467226	/nfs/dbraw/zinc/46/72/26/540467226.db2.gz	FCHVABJHIIZILF-HXUWFJFHSA-N	1	1	358.486	2.262	20	30		FEEDMO
COCCOc1ccc(CNC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000052580910	540474373	/nfs/dbraw/zinc/47/43/73/540474373.db2.gz	QFVWRWJMFCIWDG-UHFFFAOYSA-N	1	1	367.449	2.332	20	30		FEEDMO
COCCOc1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000052580910	540474375	/nfs/dbraw/zinc/47/43/75/540474375.db2.gz	QFVWRWJMFCIWDG-UHFFFAOYSA-N	1	1	367.449	2.332	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)c3ccsc3)CC2)c1	ZINC000053323739	540525791	/nfs/dbraw/zinc/52/57/91/540525791.db2.gz	VHZYVSNEZIMGJP-UHFFFAOYSA-N	1	1	368.462	2.406	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1	ZINC000053775345	540553804	/nfs/dbraw/zinc/55/38/04/540553804.db2.gz	ZBGADBVRVHOEKI-QGZVFWFLSA-N	1	1	358.486	2.215	20	30		FEEDMO
C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000536340527	540580572	/nfs/dbraw/zinc/58/05/72/540580572.db2.gz	DXQSNYKDZLSFDV-JTQLQIEISA-N	1	1	362.384	2.033	20	30		FEEDMO
C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(CCc2ccccc2F)C1=O	ZINC000055119246	540629884	/nfs/dbraw/zinc/62/98/84/540629884.db2.gz	OVTAJCVGVNPVBQ-IBGZPJMESA-N	1	1	365.408	2.499	20	30		FEEDMO
C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC(=O)N(CCc2ccccc2F)C1=O	ZINC000055119246	540629887	/nfs/dbraw/zinc/62/98/87/540629887.db2.gz	OVTAJCVGVNPVBQ-IBGZPJMESA-N	1	1	365.408	2.499	20	30		FEEDMO
COc1cc(C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)ccc1OC(F)F	ZINC000057597531	540803795	/nfs/dbraw/zinc/80/37/95/540803795.db2.gz	MXIXUGUFGSYBPH-LBPRGKRZSA-N	1	1	355.385	2.489	20	30		FEEDMO
COc1cc(C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)ccc1OC(F)F	ZINC000057597531	540803798	/nfs/dbraw/zinc/80/37/98/540803798.db2.gz	MXIXUGUFGSYBPH-LBPRGKRZSA-N	1	1	355.385	2.489	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1OC	ZINC000061649920	541136856	/nfs/dbraw/zinc/13/68/56/541136856.db2.gz	PZWIBOOHIXICIC-XJMNNFRSSA-N	1	1	372.465	2.253	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+](CCC(N)=O)Cc1ccccc1	ZINC000063483653	541170960	/nfs/dbraw/zinc/17/09/60/541170960.db2.gz	PKSLBQIPFWFYLR-UHFFFAOYSA-N	1	1	350.422	2.264	20	30		FEEDMO
CC(C)[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(C#N)cc1	ZINC000063750848	541183659	/nfs/dbraw/zinc/18/36/59/541183659.db2.gz	RTCPZTPNYNFKAJ-UHFFFAOYSA-N	1	1	356.348	2.157	20	30		FEEDMO
Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000064458149	541206203	/nfs/dbraw/zinc/20/62/03/541206203.db2.gz	LHMUZGAFNSIDRA-VQTJNVASSA-N	1	1	363.465	2.130	20	30		FEEDMO
Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000064458149	541206208	/nfs/dbraw/zinc/20/62/08/541206208.db2.gz	LHMUZGAFNSIDRA-VQTJNVASSA-N	1	1	363.465	2.130	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1	ZINC000066638900	541352794	/nfs/dbraw/zinc/35/27/94/541352794.db2.gz	JYCARHVTPMYXHF-SFHVURJKSA-N	1	1	368.481	2.314	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000066833201	541376999	/nfs/dbraw/zinc/37/69/99/541376999.db2.gz	QHTIGKNBIHGCMC-GJZGRUSLSA-N	1	1	361.417	2.346	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000066833201	541377002	/nfs/dbraw/zinc/37/70/02/541377002.db2.gz	QHTIGKNBIHGCMC-GJZGRUSLSA-N	1	1	361.417	2.346	20	30		FEEDMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)Cc1ccccc1	ZINC000067379818	541452789	/nfs/dbraw/zinc/45/27/89/541452789.db2.gz	ALMUSMJBHKWDMR-UHFFFAOYSA-N	1	1	370.840	2.398	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000067418625	541461495	/nfs/dbraw/zinc/46/14/95/541461495.db2.gz	GAFPARZEAGPVFO-LJQANCHMSA-N	1	1	370.497	2.398	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000067418625	541461498	/nfs/dbraw/zinc/46/14/98/541461498.db2.gz	GAFPARZEAGPVFO-LJQANCHMSA-N	1	1	370.497	2.398	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1	ZINC000068280387	541571977	/nfs/dbraw/zinc/57/19/77/541571977.db2.gz	VGWABEKGNITFFJ-RBUKOAKNSA-N	1	1	368.481	2.456	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)CC1	ZINC000068445598	541593469	/nfs/dbraw/zinc/59/34/69/541593469.db2.gz	FLSQFXKNLGNVEG-HXUWFJFHSA-N	1	1	351.450	2.118	20	30		FEEDMO
COc1cccc([C@@H](CNS(=O)(=O)CCC(C)(C)C#N)[NH+](C)C)c1	ZINC000550826648	674113162	/nfs/dbraw/zinc/11/31/62/674113162.db2.gz	GFEAJXDZXBKALQ-MRXNPFEDSA-N	1	1	353.488	2.157	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(CN3CCCCC3=O)CC2)CCCCC1	ZINC000072663896	541847794	/nfs/dbraw/zinc/84/77/94/541847794.db2.gz	QEMGHORMNHPBML-UHFFFAOYSA-N	1	1	360.502	2.054	20	30		FEEDMO
COCCOC[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000072796256	541866395	/nfs/dbraw/zinc/86/63/95/541866395.db2.gz	GAJSIWJJTBCTDK-NNVNDSJASA-N	1	1	365.518	2.291	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000545198071	541900690	/nfs/dbraw/zinc/90/06/90/541900690.db2.gz	AXDJJZXDPKTKMJ-MRXNPFEDSA-N	1	1	365.441	2.149	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000072971434	541900730	/nfs/dbraw/zinc/90/07/30/541900730.db2.gz	FDPFDFWORCWFHR-AZUAARDMSA-N	1	1	370.497	2.118	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2	ZINC000077381940	542375791	/nfs/dbraw/zinc/37/57/91/542375791.db2.gz	GRLCTOOHRSFJSE-MRXNPFEDSA-N	1	1	354.410	2.208	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2	ZINC000077381940	542375794	/nfs/dbraw/zinc/37/57/94/542375794.db2.gz	GRLCTOOHRSFJSE-MRXNPFEDSA-N	1	1	354.410	2.208	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccccc2)CC1	ZINC000078300585	542453304	/nfs/dbraw/zinc/45/33/04/542453304.db2.gz	LAFVTVIICWNIIV-HRAATJIYSA-N	1	1	370.497	2.324	20	30		FEEDMO
N#Cc1ccc(F)c(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1	ZINC000080776978	542607754	/nfs/dbraw/zinc/60/77/54/542607754.db2.gz	YUSQOZBIBFPWTJ-LJQANCHMSA-N	1	1	353.397	2.215	20	30		FEEDMO
N#Cc1ccc(F)c(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1	ZINC000080776978	542607757	/nfs/dbraw/zinc/60/77/57/542607757.db2.gz	YUSQOZBIBFPWTJ-LJQANCHMSA-N	1	1	353.397	2.215	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C[N@H+](C)CCC)C3)cc2C1=O	ZINC000081360978	542650640	/nfs/dbraw/zinc/65/06/40/542650640.db2.gz	RYPBQPIXVWKGKR-OAHLLOKOSA-N	1	1	369.465	2.273	20	30		FEEDMO
CSc1ccc(NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000089943667	542775999	/nfs/dbraw/zinc/77/59/99/542775999.db2.gz	AGPAXOGBWKYUAU-UHFFFAOYSA-N	1	1	358.471	2.089	20	30		FEEDMO
C=CCNc1ncc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)s1	ZINC000089961340	542777405	/nfs/dbraw/zinc/77/74/05/542777405.db2.gz	ODCPEICPFKIVAI-HZPDHXFCSA-N	1	1	372.494	2.106	20	30		FEEDMO
C=CCNc1ncc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)s1	ZINC000089961340	542777406	/nfs/dbraw/zinc/77/74/06/542777406.db2.gz	ODCPEICPFKIVAI-HZPDHXFCSA-N	1	1	372.494	2.106	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](C(N)=O)O1	ZINC000092007999	542836906	/nfs/dbraw/zinc/83/69/06/542836906.db2.gz	NVJFBLQKWFUJEC-QRWLVFNGSA-N	1	1	365.433	2.212	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](C(N)=O)O1	ZINC000092007999	542836909	/nfs/dbraw/zinc/83/69/09/542836909.db2.gz	NVJFBLQKWFUJEC-QRWLVFNGSA-N	1	1	365.433	2.212	20	30		FEEDMO
N#CCCCOc1cccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1	ZINC000092071432	542843995	/nfs/dbraw/zinc/84/39/95/542843995.db2.gz	KTDQBGYFTDGMMH-GOSISDBHSA-N	1	1	363.483	2.025	20	30		FEEDMO
N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC3CC3)C2)c1	ZINC000092071432	542843997	/nfs/dbraw/zinc/84/39/97/542843997.db2.gz	KTDQBGYFTDGMMH-GOSISDBHSA-N	1	1	363.483	2.025	20	30		FEEDMO
CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000101966438	543051442	/nfs/dbraw/zinc/05/14/42/543051442.db2.gz	UYPOSNAOAIZPGL-OALUTQOASA-N	1	1	373.497	2.121	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1	ZINC000103143005	543093898	/nfs/dbraw/zinc/09/38/98/543093898.db2.gz	CZFZQVNPQNNCOE-QGZVFWFLSA-N	1	1	372.513	2.231	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(C[N@H+](C)Cc2ccccc2)CC1	ZINC000103143005	543093901	/nfs/dbraw/zinc/09/39/01/543093901.db2.gz	CZFZQVNPQNNCOE-QGZVFWFLSA-N	1	1	372.513	2.231	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1	ZINC000103143005	543093905	/nfs/dbraw/zinc/09/39/05/543093905.db2.gz	CZFZQVNPQNNCOE-QGZVFWFLSA-N	1	1	372.513	2.231	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O)c1cccc(Cl)c1	ZINC000103286784	543101170	/nfs/dbraw/zinc/10/11/70/543101170.db2.gz	FLZWAXJBYXUCRA-OAHLLOKOSA-N	1	1	362.861	2.317	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CC(N)=O)CCC2	ZINC000103471736	543109331	/nfs/dbraw/zinc/10/93/31/543109331.db2.gz	MUYRELBUKQIVGQ-GFCCVEGCSA-N	1	1	360.483	2.167	20	30		FEEDMO
COc1cc[nH+]c(N2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c1	ZINC000104717930	543138187	/nfs/dbraw/zinc/13/81/87/543138187.db2.gz	HGZUDRMMSJTLOW-OAHLLOKOSA-N	1	1	365.437	2.111	20	30		FEEDMO
CCOCCCNC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104713096	543138282	/nfs/dbraw/zinc/13/82/82/543138282.db2.gz	QVDGGXVDHGDJRJ-INIZCTEOSA-N	1	1	359.470	2.333	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000104997004	543154018	/nfs/dbraw/zinc/15/40/18/543154018.db2.gz	DSVRWUQSRSMURF-HNNXBMFYSA-N	1	1	371.485	2.197	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCO[C@H](C#N)C2)cc1	ZINC000106330794	543223639	/nfs/dbraw/zinc/22/36/39/543223639.db2.gz	XCJSWJRUNMTNII-QFBILLFUSA-N	1	1	356.470	2.495	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)C1CC1	ZINC000108387747	543288042	/nfs/dbraw/zinc/28/80/42/543288042.db2.gz	ZRXNALBULRAQDP-UXHICEINSA-N	1	1	359.445	2.380	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C3(C#N)CCOCC3)cc2)C[C@H](C)O1	ZINC000109139694	543315740	/nfs/dbraw/zinc/31/57/40/543315740.db2.gz	DJVVZGDVLOAFNN-CALCHBBNSA-N	1	1	371.481	2.232	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000109396498	543323320	/nfs/dbraw/zinc/32/33/20/543323320.db2.gz	RYTLWWNQBSDOQO-HZPDHXFCSA-N	1	1	359.449	2.060	20	30		FEEDMO
COc1ccc(OC)c(C[N@@H+](CCO)CCOc2cccc(C#N)c2)c1	ZINC000111271446	543391396	/nfs/dbraw/zinc/39/13/96/543391396.db2.gz	NGSUNAMRENWJMN-UHFFFAOYSA-N	1	1	356.422	2.449	20	30		FEEDMO
COc1ccc(C[N@@H+](CCO)CCOc2ccccc2C#N)c(OC)c1	ZINC000111322014	543396449	/nfs/dbraw/zinc/39/64/49/543396449.db2.gz	QLIMMSFVGJJBTJ-UHFFFAOYSA-N	1	1	356.422	2.449	20	30		FEEDMO
C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)N1CCN(C)CC1	ZINC000113336598	543484578	/nfs/dbraw/zinc/48/45/78/543484578.db2.gz	UCMXLFTZRNLHOI-SFHVURJKSA-N	1	1	366.513	2.189	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCN2CCOCC2)c1	ZINC000114463891	543518689	/nfs/dbraw/zinc/51/86/89/543518689.db2.gz	XJAIAOICYIDMFZ-LJQANCHMSA-N	1	1	372.513	2.203	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCN2CCOCC2)c1	ZINC000114463891	543518690	/nfs/dbraw/zinc/51/86/90/543518690.db2.gz	XJAIAOICYIDMFZ-LJQANCHMSA-N	1	1	372.513	2.203	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C	ZINC000118105494	543645709	/nfs/dbraw/zinc/64/57/09/543645709.db2.gz	LQHZXCFFSGADRQ-UONOGXRCSA-N	1	1	360.483	2.087	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1ccccc1SCCC#N)C1CC1	ZINC000118120906	543647077	/nfs/dbraw/zinc/64/70/77/543647077.db2.gz	YNQBUKXAITVFGF-UHFFFAOYSA-N	1	1	360.483	2.231	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1	ZINC000118898986	543661365	/nfs/dbraw/zinc/66/13/65/543661365.db2.gz	YXSRGFOMCATKJQ-HUUCEWRRSA-N	1	1	374.510	2.477	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1	ZINC000122044905	543702457	/nfs/dbraw/zinc/70/24/57/543702457.db2.gz	YJIUINULIHADLZ-QAPCUYQASA-N	1	1	357.454	2.133	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1	ZINC000124451417	543822841	/nfs/dbraw/zinc/82/28/41/543822841.db2.gz	YJZPOGQOFAEEOP-AEFFLSMTSA-N	1	1	357.454	2.048	20	30		FEEDMO
CN(C(=O)CSCC#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000124778280	543842701	/nfs/dbraw/zinc/84/27/01/543842701.db2.gz	OOSKEMYMULGFSV-IRXDYDNUSA-N	1	1	352.548	2.039	20	30		FEEDMO
CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000124845295	543846884	/nfs/dbraw/zinc/84/68/84/543846884.db2.gz	ACIGBYUFAFEGJN-OALUTQOASA-N	1	1	357.502	2.296	20	30		FEEDMO
C[NH+](C)CC[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(C)(C)C	ZINC000125489931	543884293	/nfs/dbraw/zinc/88/42/93/543884293.db2.gz	YGMKJGRPMDHKGB-AWEZNQCLSA-N	1	1	359.442	2.481	20	30		FEEDMO
C=CCC[C@H](O)C[N@@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1	ZINC000126209389	543923847	/nfs/dbraw/zinc/92/38/47/543923847.db2.gz	IHXFQCUYNSNNSQ-IBGZPJMESA-N	1	1	360.498	2.489	20	30		FEEDMO
C[C@H]1CCC[N@H+]1C1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000128709708	544067789	/nfs/dbraw/zinc/06/77/89/544067789.db2.gz	DTHGVYPOOWYGTQ-INIZCTEOSA-N	1	1	361.511	2.281	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(Nc2ccccc2F)CC1	ZINC000128887863	544078741	/nfs/dbraw/zinc/07/87/41/544078741.db2.gz	LYNCNBVPWYKUJT-UHFFFAOYSA-N	1	1	357.433	2.358	20	30		FEEDMO
C[NH+]1CCC(N2CCC(NC(=O)c3c(F)cc(C#N)cc3F)CC2)CC1	ZINC000130546027	544155663	/nfs/dbraw/zinc/15/56/63/544155663.db2.gz	JZXZYGRURQBSFJ-UHFFFAOYSA-N	1	1	362.424	2.125	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000132261638	544224523	/nfs/dbraw/zinc/22/45/23/544224523.db2.gz	OIABUYZZYPYFAX-AEFFLSMTSA-N	1	1	355.486	2.119	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CO)cc1	ZINC000133002765	544252251	/nfs/dbraw/zinc/25/22/51/544252251.db2.gz	JGTPBAOEIUJNQG-APWZRJJASA-N	1	1	359.470	2.425	20	30		FEEDMO
COc1ccccc1[C@@H](CNC(=O)CNc1cccc(C#N)c1)[NH+](C)C	ZINC000151073540	544501894	/nfs/dbraw/zinc/50/18/94/544501894.db2.gz	DNRYXAVFJIFPTC-GOSISDBHSA-N	1	1	352.438	2.398	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1cccs1	ZINC000151013459	544496770	/nfs/dbraw/zinc/49/67/70/544496770.db2.gz	GEBLQACZABEPGD-ZDUSSCGKSA-N	1	1	353.444	2.340	20	30		FEEDMO
C=C[C@H](CC(=O)NC1CC[NH+](CC(=O)NCCC)CC1)c1ccccc1	ZINC000152968522	544717679	/nfs/dbraw/zinc/71/76/79/544717679.db2.gz	YSCNNZUJRWAJDG-QGZVFWFLSA-N	1	1	357.498	2.453	20	30		FEEDMO
CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153274472	544754973	/nfs/dbraw/zinc/75/49/73/544754973.db2.gz	ZMVUGENMIHTYPI-LBPRGKRZSA-N	1	1	372.498	2.477	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1	ZINC000153511445	544784273	/nfs/dbraw/zinc/78/42/73/544784273.db2.gz	OMCDXKGTHZOBGB-KRWDZBQOSA-N	1	1	356.470	2.309	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@]2(CCOC2)C1	ZINC000153525601	544786459	/nfs/dbraw/zinc/78/64/59/544786459.db2.gz	BDHXIWGAQHZQPS-UZLBHIALSA-N	1	1	357.454	2.443	20	30		FEEDMO
C[C@@H](O)CC(C)(C)CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+]	ZINC000154007113	544851514	/nfs/dbraw/zinc/85/15/14/544851514.db2.gz	JHYANXPDKRNBBN-CYBMUJFWSA-N	1	1	356.470	2.443	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C	ZINC000154413638	544903398	/nfs/dbraw/zinc/90/33/98/544903398.db2.gz	BWTBZSBYTSAUHL-CVEARBPZSA-N	1	1	372.469	2.249	20	30		FEEDMO
Cc1cc(NC(=O)C2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)no1	ZINC000179855850	327662760	/nfs/dbraw/zinc/66/27/60/327662760.db2.gz	MYGPCRKULSAGBU-UHFFFAOYSA-N	1	1	364.409	2.353	20	30		FEEDMO
C[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC1(O)CCCCCC1	ZINC000187323066	328016500	/nfs/dbraw/zinc/01/65/00/328016500.db2.gz	MCANPBRVEMUWPS-UHFFFAOYSA-N	1	1	350.484	2.349	20	30		FEEDMO
C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)CC1(O)CCCCCC1	ZINC000187323066	328016501	/nfs/dbraw/zinc/01/65/01/328016501.db2.gz	MCANPBRVEMUWPS-UHFFFAOYSA-N	1	1	350.484	2.349	20	30		FEEDMO
N#Cc1c(F)cccc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000188418684	328085928	/nfs/dbraw/zinc/08/59/28/328085928.db2.gz	SNGUBMUEEUGDHF-UHFFFAOYSA-N	1	1	353.397	2.460	20	30		FEEDMO
CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000189826377	328170111	/nfs/dbraw/zinc/17/01/11/328170111.db2.gz	NCCXMNTYZDDMDD-MRXNPFEDSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000189826377	328170112	/nfs/dbraw/zinc/17/01/12/328170112.db2.gz	NCCXMNTYZDDMDD-MRXNPFEDSA-N	1	1	362.861	2.387	20	30		FEEDMO
CN1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1=O	ZINC000191085721	328249298	/nfs/dbraw/zinc/24/92/98/328249298.db2.gz	CZLHSVDUKSFNSC-UHFFFAOYSA-N	1	1	374.510	2.381	20	30		FEEDMO
CN1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1=O	ZINC000191085721	328249299	/nfs/dbraw/zinc/24/92/99/328249299.db2.gz	CZLHSVDUKSFNSC-UHFFFAOYSA-N	1	1	374.510	2.381	20	30		FEEDMO
Cc1n[nH]c(C)c1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000193169964	328360959	/nfs/dbraw/zinc/36/09/59/328360959.db2.gz	QPKVRECAFLJQSB-UHFFFAOYSA-N	1	1	351.454	2.175	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000081364654	325171872	/nfs/dbraw/zinc/17/18/72/325171872.db2.gz	STQDMVRAALKHIB-CYBMUJFWSA-N	1	1	362.861	2.340	20	30		FEEDMO
Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943756	325344411	/nfs/dbraw/zinc/34/44/11/325344411.db2.gz	HYRLHNBHBFHNLP-GJZGRUSLSA-N	1	1	368.485	2.302	20	30		FEEDMO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H](Cc2[nH+]ccn2C)C1	ZINC000090003762	325349923	/nfs/dbraw/zinc/34/99/23/325349923.db2.gz	DVIAISONRRUIDR-LPHOPBHVSA-N	1	1	352.438	2.461	20	30		FEEDMO
CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000118092938	326080001	/nfs/dbraw/zinc/08/00/01/326080001.db2.gz	XTUMQQKIJBPWKS-UHFFFAOYSA-N	1	1	356.470	2.467	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c(C#N)c1C	ZINC000119245364	326141137	/nfs/dbraw/zinc/14/11/37/326141137.db2.gz	BHXNGOPQQFAZQA-CQSZACIVSA-N	1	1	358.471	2.179	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c(C#N)c1C	ZINC000119245364	326141138	/nfs/dbraw/zinc/14/11/38/326141138.db2.gz	BHXNGOPQQFAZQA-CQSZACIVSA-N	1	1	358.471	2.179	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1cccs1	ZINC000120429207	326258061	/nfs/dbraw/zinc/25/80/61/326258061.db2.gz	KPYSTOBJTNZZMD-HNNXBMFYSA-N	1	1	367.471	2.481	20	30		FEEDMO
CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000120893525	326297046	/nfs/dbraw/zinc/29/70/46/326297046.db2.gz	OZGBTHPUPOZPDW-WMZOPIPTSA-N	1	1	373.501	2.404	20	30		FEEDMO
Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(F)cc3C#N)CC2)[nH+]c1	ZINC000121869126	326372748	/nfs/dbraw/zinc/37/27/48/326372748.db2.gz	PZJZDZDBNOHTEN-UHFFFAOYSA-N	1	1	374.441	2.348	20	30		FEEDMO
C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000132608061	326595443	/nfs/dbraw/zinc/59/54/43/326595443.db2.gz	HOVBVHQTYTWLRQ-MRXNPFEDSA-N	1	1	359.426	2.379	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1cccc(C#N)c1	ZINC000162420199	327025283	/nfs/dbraw/zinc/02/52/83/327025283.db2.gz	AAQFAISRYNUHQN-JXFKEZNVSA-N	1	1	369.490	2.498	20	30		FEEDMO
CN1CC[NH+]([C@@H]2CCCCN(C(=O)CSc3ccc(C#N)cc3)C2)CC1	ZINC000173275621	327245898	/nfs/dbraw/zinc/24/58/98/327245898.db2.gz	SIXWRLHCYKSECY-GOSISDBHSA-N	1	1	372.538	2.279	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000173650202	327273652	/nfs/dbraw/zinc/27/36/52/327273652.db2.gz	JNGWGMGRVJEFNX-CYBMUJFWSA-N	1	1	362.861	2.340	20	30		FEEDMO
C[C@@H](CCNS(=O)(=O)c1ccc(C#N)nc1)[N@@H+](C)Cc1ccccc1	ZINC000175334186	327387529	/nfs/dbraw/zinc/38/75/29/327387529.db2.gz	IIHMQSGYIVWWAR-HNNXBMFYSA-N	1	1	358.467	2.142	20	30		FEEDMO
Cc1noc(C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)n1	ZINC000264212433	329000689	/nfs/dbraw/zinc/00/06/89/329000689.db2.gz	NCHGSAPQOSHJRT-KRWDZBQOSA-N	1	1	351.410	2.235	20	30		FEEDMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)CCCCOc1cccc(C#N)c1	ZINC000264713243	329051907	/nfs/dbraw/zinc/05/19/07/329051907.db2.gz	FDEQWMWHTDLXCF-UHFFFAOYSA-N	1	1	372.513	2.203	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	ZINC000264796344	329061644	/nfs/dbraw/zinc/06/16/44/329061644.db2.gz	VOOPABGKMJZVJE-SFHVURJKSA-N	1	1	364.449	2.326	20	30		FEEDMO
Cc1nc2n(n1)CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)C2	ZINC000267064754	329288206	/nfs/dbraw/zinc/28/82/06/329288206.db2.gz	NGERBMIZSZAQFG-UHFFFAOYSA-N	1	1	370.482	2.243	20	30		FEEDMO
Cc1nc2n(n1)CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)C2	ZINC000267064754	329288208	/nfs/dbraw/zinc/28/82/08/329288208.db2.gz	NGERBMIZSZAQFG-UHFFFAOYSA-N	1	1	370.482	2.243	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000268161140	329391877	/nfs/dbraw/zinc/39/18/77/329391877.db2.gz	OMJUKSYCYSTRSF-VQIMIIECSA-N	1	1	367.497	2.263	20	30		FEEDMO
COC(=O)c1coc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1	ZINC000273381467	329860353	/nfs/dbraw/zinc/86/03/53/329860353.db2.gz	HUTODYNIJFFTJD-QGZVFWFLSA-N	1	1	353.378	2.223	20	30		FEEDMO
CN1c2ccc(C[NH+]3CCN(c4cc(C#N)ccn4)CC3)cc2CCC1=O	ZINC000274920021	329992643	/nfs/dbraw/zinc/99/26/43/329992643.db2.gz	TVBXNORJFBYNHQ-UHFFFAOYSA-N	1	1	361.449	2.184	20	30		FEEDMO
CN(C(=O)C(=O)Nc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000275791890	330089737	/nfs/dbraw/zinc/08/97/37/330089737.db2.gz	YOCJLMAJJAEGGQ-LJQANCHMSA-N	1	1	362.433	2.230	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)ccc1F	ZINC000367102491	330216909	/nfs/dbraw/zinc/21/69/09/330216909.db2.gz	YRPDUTWBOQXNHX-QGZVFWFLSA-N	1	1	363.389	2.172	20	30		FEEDMO
C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000367137858	330221701	/nfs/dbraw/zinc/22/17/01/330221701.db2.gz	LTQFCRDPVHKDCX-LBPRGKRZSA-N	1	1	364.496	2.224	20	30		FEEDMO
C=C(Br)CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1	ZINC000805637553	674348574	/nfs/dbraw/zinc/34/85/74/674348574.db2.gz	UMOZRVLBFJRYKU-CYBMUJFWSA-N	1	1	374.323	2.028	20	30		FEEDMO
CC(=O)Nc1cccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1	ZINC000155644815	545553654	/nfs/dbraw/zinc/55/36/54/545553654.db2.gz	GKMPJTWUKFGTSY-AWEZNQCLSA-N	1	1	350.426	2.017	20	30		FEEDMO
CC(=O)Nc1cccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1	ZINC000155644815	545553659	/nfs/dbraw/zinc/55/36/59/545553659.db2.gz	GKMPJTWUKFGTSY-AWEZNQCLSA-N	1	1	350.426	2.017	20	30		FEEDMO
N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)c1	ZINC000156048478	545595552	/nfs/dbraw/zinc/59/55/52/545595552.db2.gz	KTCCAXDVINBRPK-SFHVURJKSA-N	1	1	359.495	2.367	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](CO)C2)c1C#N	ZINC000156182404	545605343	/nfs/dbraw/zinc/60/53/43/545605343.db2.gz	GFCCTLCISZZOCH-INIZCTEOSA-N	1	1	370.453	2.261	20	30		FEEDMO
C[N@@H+](CCCNS(=O)(=O)c1ccc(F)cc1C#N)Cc1ccccc1	ZINC000156232057	545610433	/nfs/dbraw/zinc/61/04/33/545610433.db2.gz	OAEPIMZXPHBYEE-UHFFFAOYSA-N	1	1	361.442	2.498	20	30		FEEDMO
C=CCC[C@H](NC(=O)NC1CC[NH+](CC(=O)NC)CC1)c1ccccc1	ZINC000156438013	545627975	/nfs/dbraw/zinc/62/79/75/545627975.db2.gz	MRVIYRHQJSUBCY-SFHVURJKSA-N	1	1	358.486	2.204	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(n3cncn3)CC2)c1C	ZINC000156549461	545634946	/nfs/dbraw/zinc/63/49/46/545634946.db2.gz	WTXMXRFBCIQIJQ-UHFFFAOYSA-N	1	1	366.469	2.479	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1	ZINC000478149113	561160998	/nfs/dbraw/zinc/16/09/98/561160998.db2.gz	ROKCGHKNMACDMX-HZPDHXFCSA-N	1	1	359.470	2.269	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)[N@H+]3CCC[C@@H](C)C3)cc2C1=O	ZINC000478528569	561168914	/nfs/dbraw/zinc/16/89/14/561168914.db2.gz	JXIAHUZXQVKZCO-HUUCEWRRSA-N	1	1	369.465	2.319	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1	ZINC000161738282	546134466	/nfs/dbraw/zinc/13/44/66/546134466.db2.gz	WESROVPJWYVXOB-SFHVURJKSA-N	1	1	359.518	2.440	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2CCC(CCC[N@H+](C)CCOC)CC2)nc1	ZINC000162548372	546140611	/nfs/dbraw/zinc/14/06/11/546140611.db2.gz	MKMBEFNPEOWWLT-UHFFFAOYSA-N	1	1	372.513	2.019	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](CCC(N)=O)C1	ZINC000170734791	546173901	/nfs/dbraw/zinc/17/39/01/546173901.db2.gz	PBPZOYVRZZCCAI-IAGOWNOFSA-N	1	1	356.470	2.299	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000171235823	546198851	/nfs/dbraw/zinc/19/88/51/546198851.db2.gz	DZKPVVQKVMROFT-AWEZNQCLSA-N	1	1	363.845	2.472	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000171235823	546198854	/nfs/dbraw/zinc/19/88/54/546198854.db2.gz	DZKPVVQKVMROFT-AWEZNQCLSA-N	1	1	363.845	2.472	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000481015594	561222805	/nfs/dbraw/zinc/22/28/05/561222805.db2.gz	RPJBYVGFQQOWHV-INIZCTEOSA-N	1	1	353.463	2.381	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C	ZINC000178100911	546738991	/nfs/dbraw/zinc/73/89/91/546738991.db2.gz	OSGQJUZNEXPYOM-INIZCTEOSA-N	1	1	372.469	2.228	20	30		FEEDMO
N#Cc1ccccc1/C=C/C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000178582410	546814959	/nfs/dbraw/zinc/81/49/59/546814959.db2.gz	HYNXLOQEBSTIAL-LCCNJJIFSA-N	1	1	361.445	2.107	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000178832938	546857772	/nfs/dbraw/zinc/85/77/72/546857772.db2.gz	CZQKIVDXVNDWJF-NVXWUHKLSA-N	1	1	355.438	2.327	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000178832938	546857776	/nfs/dbraw/zinc/85/77/76/546857776.db2.gz	CZQKIVDXVNDWJF-NVXWUHKLSA-N	1	1	355.438	2.327	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1	ZINC000481685877	561238612	/nfs/dbraw/zinc/23/86/12/561238612.db2.gz	LKFOWFQBPKNLLV-INIZCTEOSA-N	1	1	358.486	2.336	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000481829287	561243436	/nfs/dbraw/zinc/24/34/36/561243436.db2.gz	JCWAPORYRUBXNH-OALUTQOASA-N	1	1	371.525	2.480	20	30		FEEDMO
CCC[C@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CC[N@H+]1CCOC	ZINC000179533599	546972211	/nfs/dbraw/zinc/97/22/11/546972211.db2.gz	QCVXPXUPMNRHAJ-SFHVURJKSA-N	1	1	374.485	2.231	20	30		FEEDMO
C=CCOc1ccc(C[N@H+](Cc2cn(C)c(=O)n(C)c2=O)C(C)(C)C)cc1	ZINC000179722786	547004354	/nfs/dbraw/zinc/00/43/54/547004354.db2.gz	CZBICMLELFKYJO-UHFFFAOYSA-N	1	1	371.481	2.450	20	30		FEEDMO
N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1	ZINC000179892269	547024680	/nfs/dbraw/zinc/02/46/80/547024680.db2.gz	VPJJTPXMLMGONX-IBGZPJMESA-N	1	1	371.481	2.440	20	30		FEEDMO
C=CCCS(=O)(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000179898240	547025867	/nfs/dbraw/zinc/02/58/67/547025867.db2.gz	LKKZLROZKQNVKZ-ROUUACIJSA-N	1	1	350.484	2.469	20	30		FEEDMO
C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000179898240	547025870	/nfs/dbraw/zinc/02/58/70/547025870.db2.gz	LKKZLROZKQNVKZ-ROUUACIJSA-N	1	1	350.484	2.469	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000180351667	547089467	/nfs/dbraw/zinc/08/94/67/547089467.db2.gz	DENQKCCURWFICV-FQEVSTJZSA-N	1	1	366.509	2.484	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1	ZINC000180901330	547205289	/nfs/dbraw/zinc/20/52/89/547205289.db2.gz	NLGMFLGVEQAXMR-OAHLLOKOSA-N	1	1	364.449	2.442	20	30		FEEDMO
C[C@@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)C(=O)NC1(C#N)CCC1	ZINC000483096460	561267112	/nfs/dbraw/zinc/26/71/12/561267112.db2.gz	DIQKWIGSHZQKTG-YPMHNXCESA-N	1	1	371.359	2.159	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)C[N@@H+](CCO)[C@H]1CCO[C@H]1C	ZINC000483294811	561273345	/nfs/dbraw/zinc/27/33/45/561273345.db2.gz	JNFPMPSVIWQFBE-HOCLYGCPSA-N	1	1	350.484	2.375	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)C[N@H+](CCO)[C@H]1CCO[C@H]1C	ZINC000483294811	561273346	/nfs/dbraw/zinc/27/33/46/561273346.db2.gz	JNFPMPSVIWQFBE-HOCLYGCPSA-N	1	1	350.484	2.375	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCCC[C@@H]1C	ZINC000181655832	547352760	/nfs/dbraw/zinc/35/27/60/547352760.db2.gz	XVPRKQZCBKGOLJ-HOTGVXAUSA-N	1	1	372.469	2.297	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1	ZINC000181835168	547387779	/nfs/dbraw/zinc/38/77/79/547387779.db2.gz	GHUPWDJXGMLXOT-XLIONFOSSA-N	1	1	357.454	2.467	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1	ZINC000181835206	547389201	/nfs/dbraw/zinc/38/92/01/547389201.db2.gz	GHUPWDJXGMLXOT-YLJYHZDGSA-N	1	1	357.454	2.467	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(NC(=O)C4CC4)CC3)C2=O)cc1	ZINC000182657258	547528446	/nfs/dbraw/zinc/52/84/46/547528446.db2.gz	ODMAHUQJOWTRPD-IBGZPJMESA-N	1	1	366.465	2.044	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(N4CCCC4=O)CC3)C2=O)cc1	ZINC000182748102	547546386	/nfs/dbraw/zinc/54/63/86/547546386.db2.gz	ZQOJQUAPATVJPD-IBGZPJMESA-N	1	1	366.465	2.140	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184609295	547853748	/nfs/dbraw/zinc/85/37/48/547853748.db2.gz	PWLRGLIHKUOEDC-HNNXBMFYSA-N	1	1	367.457	2.238	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1	ZINC000185182063	547948007	/nfs/dbraw/zinc/94/80/07/547948007.db2.gz	BDCHPAOCOXAXOZ-QGZVFWFLSA-N	1	1	371.481	2.121	20	30		FEEDMO
C=CC[C@@H](CO)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000185785735	548035806	/nfs/dbraw/zinc/03/58/06/548035806.db2.gz	GBFOIELMAAWQBU-RDJZCZTQSA-N	1	1	356.388	2.494	20	30		FEEDMO
C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000185883322	548050465	/nfs/dbraw/zinc/05/04/65/548050465.db2.gz	PDCFCPOQHFJNFQ-HKUYNNGSSA-N	1	1	357.502	2.357	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1	ZINC000186674075	548171503	/nfs/dbraw/zinc/17/15/03/548171503.db2.gz	YWVGKTLLRLKWAG-GHTZIAJQSA-N	1	1	350.418	2.429	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NCC(=O)Nc2sccc2C#N)[C@H](C)C1	ZINC000187020012	548242226	/nfs/dbraw/zinc/24/22/26/548242226.db2.gz	HVWQNZXMCKZOBE-GDBMZVCRSA-N	1	1	364.515	2.285	20	30		FEEDMO
COCCO[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000189686503	548307782	/nfs/dbraw/zinc/30/77/82/548307782.db2.gz	MAKOWUBQHKYJTR-IBGZPJMESA-N	1	1	359.470	2.287	20	30		FEEDMO
COCCO[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000189686503	548307787	/nfs/dbraw/zinc/30/77/87/548307787.db2.gz	MAKOWUBQHKYJTR-IBGZPJMESA-N	1	1	359.470	2.287	20	30		FEEDMO
C=CCn1c(=O)c2ccsc2nc1SCCC[NH+]1CCOCC1	ZINC000195334984	548626902	/nfs/dbraw/zinc/62/69/02/548626902.db2.gz	CLKWLNZDBIEJEI-UHFFFAOYSA-N	1	1	351.497	2.458	20	30		FEEDMO
CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000245556661	548945519	/nfs/dbraw/zinc/94/55/19/548945519.db2.gz	JCNMLZZZNZRZQG-RCCFBDPRSA-N	1	1	366.575	2.285	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)[C@H]1c1ccccc1	ZINC000245667709	548970776	/nfs/dbraw/zinc/97/07/76/548970776.db2.gz	RJIXUJYSMVIPRA-FUHWJXTLSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)[C@H]1c1ccccc1	ZINC000245667709	548970780	/nfs/dbraw/zinc/97/07/80/548970780.db2.gz	RJIXUJYSMVIPRA-FUHWJXTLSA-N	1	1	359.426	2.421	20	30		FEEDMO
CN(C(=O)c1ccc(C#N)cn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000245706366	548979956	/nfs/dbraw/zinc/97/99/56/548979956.db2.gz	MJQFWMQVBKYOOH-WOJBJXKFSA-N	1	1	369.513	2.362	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](n2cncn2)C1	ZINC000245841421	549001080	/nfs/dbraw/zinc/00/10/80/549001080.db2.gz	ZDQQVHQHFMNABJ-SWLSCSKDSA-N	1	1	358.833	2.467	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](n2cncn2)C1	ZINC000245841421	549001086	/nfs/dbraw/zinc/00/10/86/549001086.db2.gz	ZDQQVHQHFMNABJ-SWLSCSKDSA-N	1	1	358.833	2.467	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1	ZINC000488139081	561384289	/nfs/dbraw/zinc/38/42/89/561384289.db2.gz	BNFGBFBDGREPAV-GOSISDBHSA-N	1	1	357.498	2.234	20	30		FEEDMO
N#Cc1cc(F)c(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(F)c1	ZINC000245996047	549033645	/nfs/dbraw/zinc/03/36/45/549033645.db2.gz	XQMWXWMGQUPKKF-JKSUJKDBSA-N	1	1	371.387	2.202	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1C#N	ZINC000246097381	549051377	/nfs/dbraw/zinc/05/13/77/549051377.db2.gz	XKNKREISAIWNSQ-CABCVRRESA-N	1	1	360.458	2.264	20	30		FEEDMO
COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1	ZINC000246254617	549089813	/nfs/dbraw/zinc/08/98/13/549089813.db2.gz	JVYVGELHRTWUPB-FVJLSDCUSA-N	1	1	369.465	2.074	20	30		FEEDMO
COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1	ZINC000246254617	549089814	/nfs/dbraw/zinc/08/98/14/549089814.db2.gz	JVYVGELHRTWUPB-FVJLSDCUSA-N	1	1	369.465	2.074	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1CCC(=O)Nc1cccc(C#N)c1	ZINC000488689430	561394562	/nfs/dbraw/zinc/39/45/62/561394562.db2.gz	AQNBUZPLZPOVND-MRXNPFEDSA-N	1	1	356.470	2.072	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000247965225	549395602	/nfs/dbraw/zinc/39/56/02/549395602.db2.gz	BFOVRPIPPNCOHS-QGZVFWFLSA-N	1	1	357.502	2.385	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000247965225	549395604	/nfs/dbraw/zinc/39/56/04/549395604.db2.gz	BFOVRPIPPNCOHS-QGZVFWFLSA-N	1	1	357.502	2.385	20	30		FEEDMO
COCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCO[C@H]1C	ZINC000489397504	561409796	/nfs/dbraw/zinc/40/97/96/561409796.db2.gz	FCZASOWVSVLNFJ-LRDDRELGSA-N	1	1	351.834	2.276	20	30		FEEDMO
COCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCO[C@H]1C	ZINC000489397504	561409797	/nfs/dbraw/zinc/40/97/97/561409797.db2.gz	FCZASOWVSVLNFJ-LRDDRELGSA-N	1	1	351.834	2.276	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C)C1	ZINC000248677459	549482654	/nfs/dbraw/zinc/48/26/54/549482654.db2.gz	KTQBOJXSZMRTIA-HOCLYGCPSA-N	1	1	373.501	2.242	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCCC[C@H]3C)CC2)o1	ZINC000248892977	549523744	/nfs/dbraw/zinc/52/37/44/549523744.db2.gz	FGGVTZAXEBVCQR-RHSMWYFYSA-N	1	1	359.474	2.014	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C	ZINC000249129755	549557456	/nfs/dbraw/zinc/55/74/56/549557456.db2.gz	URCFUWBEZMMATL-SOLBZPMBSA-N	1	1	357.454	2.453	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C	ZINC000249129755	549557460	/nfs/dbraw/zinc/55/74/60/549557460.db2.gz	URCFUWBEZMMATL-SOLBZPMBSA-N	1	1	357.454	2.453	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1	ZINC000249222405	549571409	/nfs/dbraw/zinc/57/14/09/549571409.db2.gz	UOPQFWWFFUFWAW-BBRMVZONSA-N	1	1	360.845	2.093	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C1	ZINC000250569204	549642204	/nfs/dbraw/zinc/64/22/04/549642204.db2.gz	VUKZZRAMCUBYQF-IKGGRYGDSA-N	1	1	350.507	2.011	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1OC	ZINC000261678833	549742319	/nfs/dbraw/zinc/74/23/19/549742319.db2.gz	IGSWEEVBHKMPRL-QGZVFWFLSA-N	1	1	353.422	2.442	20	30		FEEDMO
C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000261937879	549771830	/nfs/dbraw/zinc/77/18/30/549771830.db2.gz	CXTMPBOQQRLEOP-KBXCAEBGSA-N	1	1	352.486	2.224	20	30		FEEDMO
CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@H](N2CC=CC2)C1	ZINC000262773682	549848520	/nfs/dbraw/zinc/84/85/20/549848520.db2.gz	INWGPZAQTZRJMV-ROUUACIJSA-N	1	1	354.498	2.464	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000263986319	549963796	/nfs/dbraw/zinc/96/37/96/549963796.db2.gz	ZHOMPHQORUHZIC-UHFFFAOYSA-N	1	1	367.453	2.425	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000264778917	550001664	/nfs/dbraw/zinc/00/16/64/550001664.db2.gz	TVBUTMQSELRNDR-ZDUSSCGKSA-N	1	1	371.466	2.198	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000265114396	550006185	/nfs/dbraw/zinc/00/61/85/550006185.db2.gz	FOAHRNFSKJHCKB-LJQANCHMSA-N	1	1	366.469	2.001	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)CC1	ZINC000266099968	550017231	/nfs/dbraw/zinc/01/72/31/550017231.db2.gz	KOUNVCHKHBMZLW-QFIPXVFZSA-N	1	1	367.493	2.096	20	30		FEEDMO
CCCc1noc(CO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C)n1	ZINC000266268066	550018952	/nfs/dbraw/zinc/01/89/52/550018952.db2.gz	FZMVNIUEUKAGNU-NSHDSACASA-N	1	1	355.439	2.314	20	30		FEEDMO
CS(=O)(=O)NC[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000267324364	550029852	/nfs/dbraw/zinc/02/98/52/550029852.db2.gz	ASFWPPFRCWGVIS-HNNXBMFYSA-N	1	1	374.428	2.318	20	30		FEEDMO
CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000267324364	550029855	/nfs/dbraw/zinc/02/98/55/550029855.db2.gz	ASFWPPFRCWGVIS-HNNXBMFYSA-N	1	1	374.428	2.318	20	30		FEEDMO
CCCC(N)=[NH+]OCC(=O)NCCc1ccc(OC(F)F)c(OC)c1	ZINC000267405943	550030937	/nfs/dbraw/zinc/03/09/37/550030937.db2.gz	JQEHOKSTGQTHQP-UHFFFAOYSA-N	1	1	359.373	2.044	20	30		FEEDMO
NS(=O)(=O)C[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000267396794	550031093	/nfs/dbraw/zinc/03/10/93/550031093.db2.gz	PVYUSDBFZWSKAF-AWEZNQCLSA-N	1	1	360.401	2.057	20	30		FEEDMO
NS(=O)(=O)C[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000267396794	550031096	/nfs/dbraw/zinc/03/10/96/550031096.db2.gz	PVYUSDBFZWSKAF-AWEZNQCLSA-N	1	1	360.401	2.057	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1OCC#N	ZINC000268221151	550037625	/nfs/dbraw/zinc/03/76/25/550037625.db2.gz	LYCZXGGHCOYYJF-TYBAJPJBSA-N	1	1	355.438	2.210	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)c(OC)c1	ZINC000268333108	550050679	/nfs/dbraw/zinc/05/06/79/550050679.db2.gz	JFYBZCPWKVGYAG-OXJNMPFZSA-N	1	1	363.454	2.048	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH+]1CCC2(CC1)OCCc1ccsc12)C1CC1	ZINC000492581524	561451959	/nfs/dbraw/zinc/45/19/59/561451959.db2.gz	STNKPBRFXKMNAB-GOSISDBHSA-N	1	1	359.495	2.420	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)OCC	ZINC000270060611	550246514	/nfs/dbraw/zinc/24/65/14/550246514.db2.gz	ULKZVZZRWXHMQG-LJQANCHMSA-N	1	1	373.497	2.062	20	30		FEEDMO
C#CC[C@@H](NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1	ZINC000270478429	550276199	/nfs/dbraw/zinc/27/61/99/550276199.db2.gz	WFMNZWNDEOLZNT-UYAOXDASSA-N	1	1	356.514	2.324	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(C(=O)N3CCSC[C@H]3C#N)CC2)cs1	ZINC000271721689	550397607	/nfs/dbraw/zinc/39/76/07/550397607.db2.gz	LBWCSADXJFDHLM-OAHLLOKOSA-N	1	1	350.513	2.131	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)Nc2nc3ccc(OCC)cc3s2)CC1	ZINC000272009751	550415794	/nfs/dbraw/zinc/41/57/94/550415794.db2.gz	KEOWRBKBTFNJNC-UHFFFAOYSA-N	1	1	372.494	2.274	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)CC1	ZINC000272020693	550416518	/nfs/dbraw/zinc/41/65/18/550416518.db2.gz	MRXOIMWNGYUNMF-UHFFFAOYSA-N	1	1	352.482	2.191	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)NCc2cccc(OCCCC)c2)CC1	ZINC000272030872	550417633	/nfs/dbraw/zinc/41/76/33/550417633.db2.gz	PEYCXTSWYYAYPW-UHFFFAOYSA-N	1	1	357.498	2.123	20	30		FEEDMO
N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1	ZINC000272058675	550419420	/nfs/dbraw/zinc/41/94/20/550419420.db2.gz	BVHCRFBDCBZFNA-UXHICEINSA-N	1	1	354.498	2.393	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc([C@H]3CN(Cc4ccccc4)CCO3)no2)CC1	ZINC000272655609	550463100	/nfs/dbraw/zinc/46/31/00/550463100.db2.gz	NQYXBEGJAXXHHL-LJQANCHMSA-N	1	1	366.465	2.456	20	30		FEEDMO
C[C@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C1=CC[N@@H+](C)CC1	ZINC000272940593	550477789	/nfs/dbraw/zinc/47/77/89/550477789.db2.gz	LXCRMSGJMREWOQ-KRWDZBQOSA-N	1	1	367.497	2.036	20	30		FEEDMO
CS[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1N1CCCC1	ZINC000274087192	550522544	/nfs/dbraw/zinc/52/25/44/550522544.db2.gz	RGLDJSNIFOLNOO-MSOLQXFVSA-N	1	1	358.511	2.398	20	30		FEEDMO
CS[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1N1CCCC1	ZINC000274087192	550522545	/nfs/dbraw/zinc/52/25/45/550522545.db2.gz	RGLDJSNIFOLNOO-MSOLQXFVSA-N	1	1	358.511	2.398	20	30		FEEDMO
CS[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1N1CCCC1	ZINC000274087197	550522586	/nfs/dbraw/zinc/52/25/86/550522586.db2.gz	RGLDJSNIFOLNOO-ROUUACIJSA-N	1	1	358.511	2.398	20	30		FEEDMO
CS[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1N1CCCC1	ZINC000274087197	550522588	/nfs/dbraw/zinc/52/25/88/550522588.db2.gz	RGLDJSNIFOLNOO-ROUUACIJSA-N	1	1	358.511	2.398	20	30		FEEDMO
C=C(C)[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccc(F)c(F)c1	ZINC000274712174	550550207	/nfs/dbraw/zinc/55/02/07/550550207.db2.gz	AVDPAPVUSAPBSY-YOEHRIQHSA-N	1	1	352.429	2.127	20	30		FEEDMO
C=CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1	ZINC000275351366	550571917	/nfs/dbraw/zinc/57/19/17/550571917.db2.gz	SEIAKFQZIYYSOF-RTBURBONSA-N	1	1	357.498	2.405	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO	ZINC000276188580	550577363	/nfs/dbraw/zinc/57/73/63/550577363.db2.gz	LKFXPGVWDZPFRT-QLFBSQMISA-N	1	1	365.499	2.083	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO	ZINC000276188580	550577364	/nfs/dbraw/zinc/57/73/64/550577364.db2.gz	LKFXPGVWDZPFRT-QLFBSQMISA-N	1	1	365.499	2.083	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)C1=CC[N@@H+](C)CC1	ZINC000276190368	550577373	/nfs/dbraw/zinc/57/73/73/550577373.db2.gz	UUBJUBUEFYLRFB-AWEZNQCLSA-N	1	1	372.494	2.397	20	30		FEEDMO
C=CCN(C(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)C1CC1	ZINC000276252489	550577509	/nfs/dbraw/zinc/57/75/09/550577509.db2.gz	ZGENQWFCUANXIQ-OAHLLOKOSA-N	1	1	357.454	2.195	20	30		FEEDMO
COc1cc(/C=C/C(=O)NC[C@H]2CCc3[nH+]ccn3C2)ccc1OCC#N	ZINC000276337962	550578153	/nfs/dbraw/zinc/57/81/53/550578153.db2.gz	QGKADMPZXMREJU-IEXSPKMKSA-N	1	1	366.421	2.186	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1cccnc1C#N	ZINC000276998047	550619988	/nfs/dbraw/zinc/61/99/88/550619988.db2.gz	JLPBXKFTQCYVIO-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1cccnc1C#N	ZINC000276998047	550619989	/nfs/dbraw/zinc/61/99/89/550619989.db2.gz	JLPBXKFTQCYVIO-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@@H](NS(=O)(=O)c1cccnc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000277006729	550621083	/nfs/dbraw/zinc/62/10/83/550621083.db2.gz	INFYJVBFTMDBBO-WBVHZDCISA-N	1	1	370.478	2.142	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)ccc1Cl	ZINC000277453254	550672361	/nfs/dbraw/zinc/67/23/61/550672361.db2.gz	IFQHVQAJCJCGCO-HNNXBMFYSA-N	1	1	360.845	2.283	20	30		FEEDMO
C[C@H]1COCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000277516774	550679781	/nfs/dbraw/zinc/67/97/81/550679781.db2.gz	OXHLAQSWMUREMO-QFBILLFUSA-N	1	1	356.470	2.201	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@@](=O)C1	ZINC000277588735	550688408	/nfs/dbraw/zinc/68/84/08/550688408.db2.gz	WNLRBOKGFOLNOM-SFDCACGMSA-N	1	1	353.875	2.241	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@@](=O)C1	ZINC000277588735	550688410	/nfs/dbraw/zinc/68/84/10/550688410.db2.gz	WNLRBOKGFOLNOM-SFDCACGMSA-N	1	1	353.875	2.241	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@](=O)C1	ZINC000277588736	550688426	/nfs/dbraw/zinc/68/84/26/550688426.db2.gz	WNLRBOKGFOLNOM-SPSFWMDKSA-N	1	1	353.875	2.241	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@](=O)C1	ZINC000277588736	550688427	/nfs/dbraw/zinc/68/84/27/550688427.db2.gz	WNLRBOKGFOLNOM-SPSFWMDKSA-N	1	1	353.875	2.241	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(OCC#N)c1	ZINC000278509992	550793659	/nfs/dbraw/zinc/79/36/59/550793659.db2.gz	MVDYPRHEMAGXCD-HNNXBMFYSA-N	1	1	358.442	2.306	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1CCC(=O)Nc1ccccc1C#N	ZINC000278806880	550823972	/nfs/dbraw/zinc/82/39/72/550823972.db2.gz	ZQLYFUDNOPBWFL-INIZCTEOSA-N	1	1	356.470	2.072	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C	ZINC000278992472	550844216	/nfs/dbraw/zinc/84/42/16/550844216.db2.gz	BOVHXPLXNQIMKB-MAUKXSAKSA-N	1	1	367.453	2.490	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)cc1	ZINC000279658440	550913598	/nfs/dbraw/zinc/91/35/98/550913598.db2.gz	CUBROXKWYYWWKG-HXUWFJFHSA-N	1	1	352.482	2.219	20	30		FEEDMO
C[N@@H+](CCCCCO)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000279658776	550913623	/nfs/dbraw/zinc/91/36/23/550913623.db2.gz	COOZHOANUUOKCM-UHFFFAOYSA-N	1	1	356.388	2.268	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@]2(CCOC2)O1	ZINC000280372954	550986679	/nfs/dbraw/zinc/98/66/79/550986679.db2.gz	VMCQLKJXYQJSHO-QRWLVFNGSA-N	1	1	352.438	2.339	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000280489697	550999603	/nfs/dbraw/zinc/99/96/03/550999603.db2.gz	AWRQHPOEBAIVLP-KRWDZBQOSA-N	1	1	352.394	2.162	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000280489697	550999604	/nfs/dbraw/zinc/99/96/04/550999604.db2.gz	AWRQHPOEBAIVLP-KRWDZBQOSA-N	1	1	352.394	2.162	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000280658380	551018639	/nfs/dbraw/zinc/01/86/39/551018639.db2.gz	DRRLBNPDKPUDDK-OXJNMPFZSA-N	1	1	356.470	2.026	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000280721266	551025072	/nfs/dbraw/zinc/02/50/72/551025072.db2.gz	IAVYEFXCZRWCMB-GOSISDBHSA-N	1	1	362.861	2.045	20	30		FEEDMO
CCOC(=O)[C@]1(COC)CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000281219649	551075043	/nfs/dbraw/zinc/07/50/43/551075043.db2.gz	BPOMHOPTIYAVMP-HXUWFJFHSA-N	1	1	373.453	2.179	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1=O	ZINC000281379469	551090108	/nfs/dbraw/zinc/09/01/08/551090108.db2.gz	OXZVEFBXBKGTDO-JKSUJKDBSA-N	1	1	356.388	2.328	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)C1=O	ZINC000281442965	551098304	/nfs/dbraw/zinc/09/83/04/551098304.db2.gz	UBSRSRCHRCWFNH-RBUKOAKNSA-N	1	1	355.482	2.289	20	30		FEEDMO
CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000281451384	551099359	/nfs/dbraw/zinc/09/93/59/551099359.db2.gz	QPCFCJWDAPHODA-MGPUTAFESA-N	1	1	373.453	2.177	20	30		FEEDMO
CCOC(=O)[C@]1(COC)CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000281451384	551099360	/nfs/dbraw/zinc/09/93/60/551099360.db2.gz	QPCFCJWDAPHODA-MGPUTAFESA-N	1	1	373.453	2.177	20	30		FEEDMO
Cc1sc(NC(=O)C[NH2+][C@]2(CO)CCOc3ccccc32)c(C#N)c1C	ZINC000281640289	551124069	/nfs/dbraw/zinc/12/40/69/551124069.db2.gz	IWYDVGCUASJJGB-IBGZPJMESA-N	1	1	371.462	2.435	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCC[N@H+](C(C)C)C3)CC2)o1	ZINC000281694500	551131570	/nfs/dbraw/zinc/13/15/70/551131570.db2.gz	VMBWLOHWQYSQCR-MRXNPFEDSA-N	1	1	359.474	2.060	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1C(F)(F)F	ZINC000281782516	551142932	/nfs/dbraw/zinc/14/29/32/551142932.db2.gz	NAUFQBFJDJHDBD-CYBMUJFWSA-N	1	1	371.384	2.212	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000281870096	551151036	/nfs/dbraw/zinc/15/10/36/551151036.db2.gz	SMRWCSRIOWTGFO-PMACEKPBSA-N	1	1	373.497	2.299	20	30		FEEDMO
CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000497371603	561499624	/nfs/dbraw/zinc/49/96/24/561499624.db2.gz	QHAQHILSADHYMV-VQIMIIECSA-N	1	1	370.497	2.191	20	30		FEEDMO
C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C2CC2)CC1	ZINC000282763379	551267812	/nfs/dbraw/zinc/26/78/12/551267812.db2.gz	ZTYLTUFBRTYGBK-UHFFFAOYSA-N	1	1	364.453	2.199	20	30		FEEDMO
C#CC[C@@]1(C(=O)NCCCn2cc[nH+]c2C)CCCN1C(=O)OC(C)(C)C	ZINC000282867043	551279603	/nfs/dbraw/zinc/27/96/03/551279603.db2.gz	AHLIXRDJWPLAAX-FQEVSTJZSA-N	1	1	374.485	2.491	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c(F)c1	ZINC000283069522	551306843	/nfs/dbraw/zinc/30/68/43/551306843.db2.gz	XIJOLTXWPURYRQ-QWHCGFSZSA-N	1	1	363.408	2.121	20	30		FEEDMO
C=CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000283414769	551362502	/nfs/dbraw/zinc/36/25/02/551362502.db2.gz	GFUORXTVRRRZMZ-MRXNPFEDSA-N	1	1	357.458	2.191	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)C(C)C	ZINC000498362260	561523201	/nfs/dbraw/zinc/52/32/01/561523201.db2.gz	HRPMYBIQBMGEKG-CQSZACIVSA-N	1	1	354.472	2.112	20	30		FEEDMO
CCNC(=O)C[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1	ZINC000284725066	551617656	/nfs/dbraw/zinc/61/76/56/551617656.db2.gz	JXDDAMJQBZVJFI-GOSISDBHSA-N	1	1	356.470	2.314	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O	ZINC000284827198	551644716	/nfs/dbraw/zinc/64/47/16/551644716.db2.gz	OQTNBZVSGNXJPH-IHMNZUQTSA-N	1	1	357.454	2.137	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)Cc1cccc(C#N)c1	ZINC000285459174	551759889	/nfs/dbraw/zinc/75/98/89/551759889.db2.gz	MYMNJKHBYHPSEE-UHFFFAOYSA-N	1	1	361.467	2.435	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1C	ZINC000498941394	561538561	/nfs/dbraw/zinc/53/85/61/561538561.db2.gz	YZRKWIBSKGXARC-HOTGVXAUSA-N	1	1	366.469	2.097	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)[C@H]2C1	ZINC000285734624	551802800	/nfs/dbraw/zinc/80/28/00/551802800.db2.gz	GRMBDRRHMPWPJR-JXFKEZNVSA-N	1	1	370.472	2.466	20	30		FEEDMO
C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CN1CCN(C)CC1	ZINC000286007908	551837603	/nfs/dbraw/zinc/83/76/03/551837603.db2.gz	JAMXKKHKCWQMAD-GOSISDBHSA-N	1	1	355.530	2.000	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C	ZINC000286057459	551843941	/nfs/dbraw/zinc/84/39/41/551843941.db2.gz	RULNPRXKLBCDJW-MRXNPFEDSA-N	1	1	358.486	2.142	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)c(F)c1	ZINC000286321531	551873825	/nfs/dbraw/zinc/87/38/25/551873825.db2.gz	HNYJPKLATMMRCI-KVSKMBFKSA-N	1	1	356.445	2.267	20	30		FEEDMO
COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCOc2ccc(C#N)cc2OC)C1	ZINC000286503687	551893579	/nfs/dbraw/zinc/89/35/79/551893579.db2.gz	MLRLMXVNAXUXSV-MRXNPFEDSA-N	1	1	372.343	2.373	20	30		FEEDMO
CC[C@@H](C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000286659723	551911645	/nfs/dbraw/zinc/91/16/45/551911645.db2.gz	FWXBFWNOWVCZTN-OTWHNJEPSA-N	1	1	351.454	2.054	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000286984929	551948283	/nfs/dbraw/zinc/94/82/83/551948283.db2.gz	CFUWDJVAAVYPSO-CQSZACIVSA-N	1	1	366.487	2.226	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000287145922	551969115	/nfs/dbraw/zinc/96/91/15/551969115.db2.gz	HWRCBCMGNOZZIK-CYBMUJFWSA-N	1	1	367.247	2.163	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000287288024	551985714	/nfs/dbraw/zinc/98/57/14/551985714.db2.gz	IKCLMSAVNQGLEP-CQSZACIVSA-N	1	1	360.845	2.094	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000287288024	551985715	/nfs/dbraw/zinc/98/57/15/551985715.db2.gz	IKCLMSAVNQGLEP-CQSZACIVSA-N	1	1	360.845	2.094	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCC(C)(C)C#N)C2)cc(OC)c1	ZINC000499319971	561548855	/nfs/dbraw/zinc/54/88/55/561548855.db2.gz	ISCJBUJBKRQTMD-HNNXBMFYSA-N	1	1	360.458	2.127	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)NCC(C)(C)C#N)C2)cc(OC)c1	ZINC000499319971	561548856	/nfs/dbraw/zinc/54/88/56/561548856.db2.gz	ISCJBUJBKRQTMD-HNNXBMFYSA-N	1	1	360.458	2.127	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC(C)(C#N)CC2)CCC[N@H+]1C	ZINC000287625078	552027027	/nfs/dbraw/zinc/02/70/27/552027027.db2.gz	FKVNOMXUNHNDHK-DOTOQJQBSA-N	1	1	358.490	2.138	20	30		FEEDMO
C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C1=CC[N@@H+](C)CC1	ZINC000287994831	552072529	/nfs/dbraw/zinc/07/25/29/552072529.db2.gz	VJJPXARAEPIUAV-YOEHRIQHSA-N	1	1	356.445	2.290	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1	ZINC000289201734	552281841	/nfs/dbraw/zinc/28/18/41/552281841.db2.gz	BLUNMMNOESJRSO-OXQOHEQNSA-N	1	1	355.438	2.041	20	30		FEEDMO
C[C@@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1	ZINC000289422232	552319133	/nfs/dbraw/zinc/31/91/33/552319133.db2.gz	HYRXADXSPXFLHO-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000289422232	552319135	/nfs/dbraw/zinc/31/91/35/552319135.db2.gz	HYRXADXSPXFLHO-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)CCCCC1	ZINC000289513764	552333609	/nfs/dbraw/zinc/33/36/09/552333609.db2.gz	RFEMZKKXCVGZMA-GOSISDBHSA-N	1	1	352.482	2.466	20	30		FEEDMO
N#Cc1ccc(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1F	ZINC000289884086	552394272	/nfs/dbraw/zinc/39/42/72/552394272.db2.gz	SEPCOTVXIMSZMU-GOSISDBHSA-N	1	1	368.412	2.238	20	30		FEEDMO
CC[C@](C)(C#N)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1	ZINC000290013965	552413873	/nfs/dbraw/zinc/41/38/73/552413873.db2.gz	GNPICNYIMFNGFT-LJQANCHMSA-N	1	1	353.426	2.315	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F	ZINC000290764524	552533799	/nfs/dbraw/zinc/53/37/99/552533799.db2.gz	KMLMKPUREOUEJU-KSSFIOAISA-N	1	1	370.428	2.111	20	30		FEEDMO
N#C[C@@]1(NC(=O)c2cc(C[NH+]3CCCC3)on2)CCc2ccccc2C1	ZINC000291676615	552649864	/nfs/dbraw/zinc/64/98/64/552649864.db2.gz	MJDZYZLNPKAGRC-HXUWFJFHSA-N	1	1	350.422	2.451	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccco1	ZINC000291776686	552660678	/nfs/dbraw/zinc/66/06/78/552660678.db2.gz	WBTKRTSPSYPPLD-JKSUJKDBSA-N	1	1	369.425	2.012	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H]3CN(c4ccccc4)C(=O)O3)C2)nc1	ZINC000292156200	552699176	/nfs/dbraw/zinc/69/91/76/552699176.db2.gz	KNTHFQMIPCJQBO-ROUUACIJSA-N	1	1	364.405	2.432	20	30		FEEDMO
Cc1cc(CNS(=O)(=O)c2ccc(C#N)c(F)c2)cc(N2CCCC2)[nH+]1	ZINC000292237258	552707741	/nfs/dbraw/zinc/70/77/41/552707741.db2.gz	IVBMHILRRDXRFW-UHFFFAOYSA-N	1	1	374.441	2.480	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@@H+]([C@H]3CC[C@H](C#N)C3)CC2)cc1	ZINC000292693482	552750076	/nfs/dbraw/zinc/75/00/76/552750076.db2.gz	CSGSXIUOEMWRQW-HOTGVXAUSA-N	1	1	363.483	2.084	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@H+]([C@H]3CC[C@H](C#N)C3)CC2)cc1	ZINC000292693482	552750077	/nfs/dbraw/zinc/75/00/77/552750077.db2.gz	CSGSXIUOEMWRQW-HOTGVXAUSA-N	1	1	363.483	2.084	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1ccc(OCc2cscn2)c(OC)c1	ZINC000293858946	552862939	/nfs/dbraw/zinc/86/29/39/552862939.db2.gz	AYYSBJQPMQDKJG-UHFFFAOYSA-N	1	1	373.478	2.416	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1	ZINC000294107439	552882257	/nfs/dbraw/zinc/88/22/57/552882257.db2.gz	YSGSYOJAIPFLNE-UHFFFAOYSA-N	1	1	358.417	2.188	20	30		FEEDMO
CO[C@H]1COCC[C@@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000294480233	552909638	/nfs/dbraw/zinc/90/96/38/552909638.db2.gz	QQRXIUOODJWQBM-UXHICEINSA-N	1	1	371.481	2.034	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1	ZINC000502332306	561616390	/nfs/dbraw/zinc/61/63/90/561616390.db2.gz	LQIMVYNFDWXGSY-ROUUACIJSA-N	1	1	364.511	2.170	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1	ZINC000296292580	553135905	/nfs/dbraw/zinc/13/59/05/553135905.db2.gz	VDCXVHCOUMUCSE-ALOPSCKCSA-N	1	1	357.454	2.321	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1	ZINC000297030621	553244423	/nfs/dbraw/zinc/24/44/23/553244423.db2.gz	AVDKBXNUHDBQDH-IBGZPJMESA-N	1	1	358.442	2.143	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1	ZINC000297418529	553290043	/nfs/dbraw/zinc/29/00/43/553290043.db2.gz	JKAYCGPFBXIWTC-UHFFFAOYSA-N	1	1	368.437	2.286	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(N2CCCCCC2)cc1	ZINC000299457626	553565771	/nfs/dbraw/zinc/56/57/71/553565771.db2.gz	XFSRSELVQOPYMJ-UHFFFAOYSA-N	1	1	370.497	2.077	20	30		FEEDMO
N#CC1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCCCC1	ZINC000299617563	553589664	/nfs/dbraw/zinc/58/96/64/553589664.db2.gz	YZGYELJIUYLBLV-UHFFFAOYSA-N	1	1	355.486	2.184	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(c3ncnc4nc(N)ccc43)CC2)cc1	ZINC000301796122	553680147	/nfs/dbraw/zinc/68/01/47/553680147.db2.gz	SXWHWJNTODNXSH-UHFFFAOYSA-N	1	1	359.437	2.191	20	30		FEEDMO
CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1	ZINC000302875758	553739273	/nfs/dbraw/zinc/73/92/73/553739273.db2.gz	LKJZTZQOSHSQIQ-MJGOQNOKSA-N	1	1	368.433	2.460	20	30		FEEDMO
N#CC1(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCOCC1	ZINC000312071126	553755953	/nfs/dbraw/zinc/75/59/53/553755953.db2.gz	NPEKDNGWUJPOOY-OALUTQOASA-N	1	1	353.466	2.287	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000312626591	553756534	/nfs/dbraw/zinc/75/65/34/553756534.db2.gz	IDVSWESSAIDIGI-RTWAWAEBSA-N	1	1	365.477	2.410	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[N@H+](Cc2ccccc2)C1	ZINC000324105427	553771042	/nfs/dbraw/zinc/77/10/42/553771042.db2.gz	FAKXVYUNZIYECY-MRXNPFEDSA-N	1	1	370.478	2.096	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[N@@H+](Cc2ccccc2)C1	ZINC000324105427	553771044	/nfs/dbraw/zinc/77/10/44/553771044.db2.gz	FAKXVYUNZIYECY-MRXNPFEDSA-N	1	1	370.478	2.096	20	30		FEEDMO
C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000326684130	553782757	/nfs/dbraw/zinc/78/27/57/553782757.db2.gz	IGDIEFURGZFPLI-NVXWUHKLSA-N	1	1	350.484	2.347	20	30		FEEDMO
C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000326684130	553782758	/nfs/dbraw/zinc/78/27/58/553782758.db2.gz	IGDIEFURGZFPLI-NVXWUHKLSA-N	1	1	350.484	2.347	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1	ZINC000328473155	553793991	/nfs/dbraw/zinc/79/39/91/553793991.db2.gz	DSWYAOJZHBNVJD-IPMKNSEASA-N	1	1	362.495	2.347	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCCN(C([O-])=[NH+]C[C@@H]3CCCn4cc[nH+]c43)C2)n1	ZINC000328607252	553795170	/nfs/dbraw/zinc/79/51/70/553795170.db2.gz	LAUBCORFMIRPMS-SJORKVTESA-N	1	1	371.489	2.295	20	30		FEEDMO
O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@@H](N2CCCC2=O)C1	ZINC000328613671	553796129	/nfs/dbraw/zinc/79/61/29/553796129.db2.gz	QNFSBLWBHUUPHN-ZWKOTPCHSA-N	1	1	362.518	2.394	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21	ZINC000328616506	553796902	/nfs/dbraw/zinc/79/69/02/553796902.db2.gz	SOFYBJOAIMOYOW-IXDOHACOSA-N	1	1	371.547	2.207	20	30		FEEDMO
CSC[C@H](C)C(=O)N1CCC(C(=O)NCC2=CC[N@@H+](C)CC2)CC1	ZINC000328650004	553802504	/nfs/dbraw/zinc/80/25/04/553802504.db2.gz	AULUSIPCCMKAQG-AWEZNQCLSA-N	1	1	353.532	2.443	20	30		FEEDMO
Cc1cc2ncc(C(=O)NC3CCN(c4[nH+]ccn4C)CC3)c(C)n2n1	ZINC000328707322	553810090	/nfs/dbraw/zinc/81/00/90/553810090.db2.gz	ARJXREIBRKGLNT-UHFFFAOYSA-N	1	1	353.430	2.053	20	30		FEEDMO
O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CC[C@@](F)(CO)C1	ZINC000328718256	553811854	/nfs/dbraw/zinc/81/18/54/553811854.db2.gz	UYPMQAOZMJAQHJ-YOEHRIQHSA-N	1	1	355.479	2.280	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1C	ZINC000328720169	553812143	/nfs/dbraw/zinc/81/21/43/553812143.db2.gz	GPQUDURWFJTFBY-UONOGXRCSA-N	1	1	359.474	2.012	20	30		FEEDMO
C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000328777371	553820960	/nfs/dbraw/zinc/82/09/60/553820960.db2.gz	IIHLUSBOFJXBHY-WMZOPIPTSA-N	1	1	364.534	2.150	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O	ZINC000328844439	553831153	/nfs/dbraw/zinc/83/11/53/553831153.db2.gz	VDSQNIDRACGQLN-DTZQCDIJSA-N	1	1	362.426	2.254	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O	ZINC000328844441	553831301	/nfs/dbraw/zinc/83/13/01/553831301.db2.gz	VDSQNIDRACGQLN-MIGQKNRLSA-N	1	1	362.426	2.254	20	30		FEEDMO
C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(-n2ccnn2)cc1	ZINC000328866785	553835403	/nfs/dbraw/zinc/83/54/03/553835403.db2.gz	NYELPRXASZBICJ-QGTPRVQTSA-N	1	1	354.458	2.459	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cccc3c2OCCO3)C[C@@H]1[NH+]1CCOCC1	ZINC000328890462	553839580	/nfs/dbraw/zinc/83/95/80/553839580.db2.gz	ROLAKPHBKAPSFY-ZBFHGGJFSA-N	1	1	361.442	2.046	20	30		FEEDMO
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000328903229	553842062	/nfs/dbraw/zinc/84/20/62/553842062.db2.gz	HPKACBPBRGEANA-OALUTQOASA-N	1	1	372.513	2.412	20	30		FEEDMO
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000328903228	553842129	/nfs/dbraw/zinc/84/21/29/553842129.db2.gz	HPKACBPBRGEANA-MOPGFXCFSA-N	1	1	372.513	2.412	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000328915984	553844339	/nfs/dbraw/zinc/84/43/39/553844339.db2.gz	RCEYDAMIPJTGEW-ZBFHGGJFSA-N	1	1	366.483	2.015	20	30		FEEDMO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21	ZINC000328915984	553844336	/nfs/dbraw/zinc/84/43/36/553844336.db2.gz	RCEYDAMIPJTGEW-ZBFHGGJFSA-N	1	1	366.483	2.015	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000329012218	553864623	/nfs/dbraw/zinc/86/46/23/553864623.db2.gz	ARSPHWDTRZIQOH-BDPHEOEISA-N	1	1	367.534	2.129	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1	ZINC000329076742	553876111	/nfs/dbraw/zinc/87/61/11/553876111.db2.gz	PVQBPVGNCPCSOI-NRSFXHEJSA-N	1	1	351.491	2.067	20	30		FEEDMO
O=C(C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1)NC[C@H]1CCCO1	ZINC000329115896	553883205	/nfs/dbraw/zinc/88/32/05/553883205.db2.gz	NBEBWFWGOFQCQN-SJORKVTESA-N	1	1	363.502	2.237	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C	ZINC000329144562	553888843	/nfs/dbraw/zinc/88/88/43/553888843.db2.gz	WJOKFWNGJAJYBW-ALYAQQCSSA-N	1	1	363.506	2.120	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F	ZINC000329167155	553893922	/nfs/dbraw/zinc/89/39/22/553893922.db2.gz	IEAHWHFJWUGADX-XJKCOSOUSA-N	1	1	362.380	2.198	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)[C@@H]2C1	ZINC000329172279	553895062	/nfs/dbraw/zinc/89/50/62/553895062.db2.gz	AFSJWWAVOFEITA-GPMSIDNRSA-N	1	1	356.445	2.076	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1	ZINC000329173606	553895620	/nfs/dbraw/zinc/89/56/20/553895620.db2.gz	LNXISDISUJZRJS-VYDXJSESSA-N	1	1	350.507	2.106	20	30		FEEDMO
CC(C)[C@H](C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1)[NH+]1CCCCC1	ZINC000329183704	553897389	/nfs/dbraw/zinc/89/73/89/553897389.db2.gz	FQXDTGNQECZQJX-JFIYKMOQSA-N	1	1	372.531	2.190	20	30		FEEDMO
O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000329195948	553899882	/nfs/dbraw/zinc/89/98/82/553899882.db2.gz	VNMFSCVYAPOKDM-ZDUSSCGKSA-N	1	1	356.426	2.076	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1	ZINC000329242127	553909197	/nfs/dbraw/zinc/90/91/97/553909197.db2.gz	SEDLXOOMOSTASG-QGZVFWFLSA-N	1	1	365.499	2.406	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)[C@@H]1c1ccccc1	ZINC000329297905	553920484	/nfs/dbraw/zinc/92/04/84/553920484.db2.gz	UBJDRUUUQAYPKR-RDGPPVDQSA-N	1	1	359.470	2.226	20	30		FEEDMO
C[C@H](NC(=O)N(C)[C@H]1CCN(c2ccccc2)C1=O)C1=CC[N@@H+](C)CC1	ZINC000329331184	553926645	/nfs/dbraw/zinc/92/66/45/553926645.db2.gz	ZJLXVUKEYDKYDQ-YJBOKZPZSA-N	1	1	356.470	2.288	20	30		FEEDMO
Cc1nnc([C@H](C)NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1	ZINC000329440779	553947067	/nfs/dbraw/zinc/94/70/67/553947067.db2.gz	AFYVIAWMIJKRKM-SFDCQRBFSA-N	1	1	367.519	2.395	20	30		FEEDMO
Cc1nnc([C@H](C)NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1	ZINC000329440779	553947069	/nfs/dbraw/zinc/94/70/69/553947069.db2.gz	AFYVIAWMIJKRKM-SFDCQRBFSA-N	1	1	367.519	2.395	20	30		FEEDMO
C[C@@H]1CSCCN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C	ZINC000329438541	553947316	/nfs/dbraw/zinc/94/73/16/553947316.db2.gz	JRLLBRHARCYFAW-IJEWVQPXSA-N	1	1	351.520	2.154	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000329502546	553958815	/nfs/dbraw/zinc/95/88/15/553958815.db2.gz	YWAKBUXICLCSFI-IAGOWNOFSA-N	1	1	350.507	2.109	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](NC(=O)NC2CC2)C1	ZINC000329518882	553961074	/nfs/dbraw/zinc/96/10/74/553961074.db2.gz	NSCKKWAPCXEGHA-IVSAIRAKSA-N	1	1	365.522	2.007	20	30		FEEDMO
CN(C)c1ncccc1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1	ZINC000329544810	553965181	/nfs/dbraw/zinc/96/51/81/553965181.db2.gz	GHVUMRMEHZGURL-UHFFFAOYSA-N	1	1	359.518	2.403	20	30		FEEDMO
O=C(C[N@@H+]1CCOCC2(CCOCC2)C1)Nc1ccc2c(c1)OCCO2	ZINC000329590624	553973348	/nfs/dbraw/zinc/97/33/48/553973348.db2.gz	YNQPUJQHEPSGAJ-UHFFFAOYSA-N	1	1	362.426	2.175	20	30		FEEDMO
O=C(C[N@H+]1CCOCC2(CCOCC2)C1)Nc1ccc2c(c1)OCCO2	ZINC000329590624	553973353	/nfs/dbraw/zinc/97/33/53/553973353.db2.gz	YNQPUJQHEPSGAJ-UHFFFAOYSA-N	1	1	362.426	2.175	20	30		FEEDMO
O=C(C[N@@H+]1CC[C@@H](CCO)C1)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000329596405	553973618	/nfs/dbraw/zinc/97/36/18/553973618.db2.gz	IONBOJNPENJAMA-INIZCTEOSA-N	1	1	359.470	2.218	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C[C@H](C)NC(=O)C2CCCC2)C[C@H]1[NH+]1CCOCC1	ZINC000329697034	553991032	/nfs/dbraw/zinc/99/10/32/553991032.db2.gz	CCZXDIOKLUXLNI-LZLYRXPVSA-N	1	1	365.518	2.481	20	30		FEEDMO
O=C(N[C@H]1CCCS(=O)(=O)C1)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000329720174	553994742	/nfs/dbraw/zinc/99/47/42/553994742.db2.gz	AHVDDCJVRSIDDU-KRWDZBQOSA-N	1	1	371.547	2.066	20	30		FEEDMO
CC(C)n1nnnc1-c1ccccc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C	ZINC000329728556	553996349	/nfs/dbraw/zinc/99/63/49/553996349.db2.gz	CRBBDJIZNPFVIW-ZIAGYGMSSA-N	1	1	357.462	2.491	20	30		FEEDMO
CC[C@@H]1CN(C(=O)CNC(=O)C2CCCCC2)C[C@H]1[NH+]1CCOCC1	ZINC000329735370	553997168	/nfs/dbraw/zinc/99/71/68/553997168.db2.gz	KXSKSFGFVIJBGC-NVXWUHKLSA-N	1	1	351.491	2.092	20	30		FEEDMO
CC[C@@H]1CN(C(=O)CCNC(=O)c2ccsc2)C[C@@H]1[NH+]1CCOCC1	ZINC000329750305	553999465	/nfs/dbraw/zinc/99/94/65/553999465.db2.gz	UYCLLGPZWBCAMV-ZBFHGGJFSA-N	1	1	365.499	2.012	20	30		FEEDMO
CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000329776345	554003985	/nfs/dbraw/zinc/00/39/85/554003985.db2.gz	OARPLZFPIGQNSX-INIZCTEOSA-N	1	1	371.547	2.208	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000329776345	554003986	/nfs/dbraw/zinc/00/39/86/554003986.db2.gz	OARPLZFPIGQNSX-INIZCTEOSA-N	1	1	371.547	2.208	20	30		FEEDMO
Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2)nn1	ZINC000329816768	554011429	/nfs/dbraw/zinc/01/14/29/554011429.db2.gz	WEGFHXDTJVJOAN-RDTXWAMCSA-N	1	1	372.517	2.082	20	30		FEEDMO
CC(C)[C@@H](C(=O)NCC[N@H+]1CCCC(C)(C)C1)N1CCCS1(=O)=O	ZINC000329891960	554025564	/nfs/dbraw/zinc/02/55/64/554025564.db2.gz	IPNGEINRTCUHNU-HNNXBMFYSA-N	1	1	359.536	2.125	20	30		FEEDMO
C[C@H](CNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1	ZINC000329912130	554029861	/nfs/dbraw/zinc/02/98/61/554029861.db2.gz	BAIWPEBADDZNGW-GPMSIDNRSA-N	1	1	353.507	2.291	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)C2)n1	ZINC000329920507	554031750	/nfs/dbraw/zinc/03/17/50/554031750.db2.gz	DZQAFUDGHJJUPB-IEBWSBKVSA-N	1	1	369.513	2.278	20	30		FEEDMO
N#Cc1ccccc1N1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1	ZINC000329956529	554038376	/nfs/dbraw/zinc/03/83/76/554038376.db2.gz	LHKYAQCQBWFKIJ-KRWDZBQOSA-N	1	1	364.453	2.196	20	30		FEEDMO
O=C(NC[C@@H]1CCc2nccn2C1)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000329956795	554038728	/nfs/dbraw/zinc/03/87/28/554038728.db2.gz	PEAOEWNZNIUODA-UONOGXRCSA-N	1	1	374.876	2.276	20	30		FEEDMO
[O-]C(N[C@@H]1CCN(c2ncccc2Cl)C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1	ZINC000329956795	554038730	/nfs/dbraw/zinc/03/87/30/554038730.db2.gz	PEAOEWNZNIUODA-UONOGXRCSA-N	1	1	374.876	2.276	20	30		FEEDMO
CCN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1c1ncc[nH]1	ZINC000329971986	554041857	/nfs/dbraw/zinc/04/18/57/554041857.db2.gz	VWAYBIJYLAHGAA-NPYXIHBLSA-N	1	1	360.506	2.018	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C	ZINC000330016516	554050250	/nfs/dbraw/zinc/05/02/50/554050250.db2.gz	PQXXUMDISHLPJE-TZMCWYRMSA-N	1	1	372.473	2.317	20	30		FEEDMO
Cc1nnc2n1C[C@H](CNC([O-])=[NH+]C1CC[NH+](C3CCCCC3)CC1)CC2	ZINC000330019187	554050331	/nfs/dbraw/zinc/05/03/31/554050331.db2.gz	URRAPYARWFQEMP-INIZCTEOSA-N	1	1	374.533	2.450	20	30		FEEDMO
Cc1nnc2n1C[C@H](C[NH+]=C([O-])NC1CC[NH+](C3CCCCC3)CC1)CC2	ZINC000330019187	554050333	/nfs/dbraw/zinc/05/03/33/554050333.db2.gz	URRAPYARWFQEMP-INIZCTEOSA-N	1	1	374.533	2.450	20	30		FEEDMO
C[NH+]1CCN(C(=O)CCNC(=O)C2CCC(NC(=O)C3CC3)CC2)CC1	ZINC000330021569	554050450	/nfs/dbraw/zinc/05/04/50/554050450.db2.gz	YAJLSVVJIWFMCS-UHFFFAOYSA-N	1	1	364.490	2.032	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2COCCO2)CC1	ZINC000330040813	554053685	/nfs/dbraw/zinc/05/36/85/554053685.db2.gz	FXPWFLDDNAFMJH-SJLPKXTDSA-N	1	1	353.507	2.292	20	30		FEEDMO
C[C@H](NC(=O)N1CCC(c2nnc3n2CCCC3)CC1)C1=CC[N@@H+](C)CC1	ZINC000330048633	554054636	/nfs/dbraw/zinc/05/46/36/554054636.db2.gz	ISMAEMUHZJHYOI-HNNXBMFYSA-N	1	1	372.517	2.358	20	30		FEEDMO
CC(C)(CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCS(=O)CC1	ZINC000330083772	554061807	/nfs/dbraw/zinc/06/18/07/554061807.db2.gz	QPCUDIHVDRPOHE-MRXNPFEDSA-N	1	1	369.575	2.440	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C[C@H]1C	ZINC000330116731	554067414	/nfs/dbraw/zinc/06/74/14/554067414.db2.gz	VXALPNBSPNCZAD-CZUORRHYSA-N	1	1	365.499	2.367	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[C@H]1OC	ZINC000330127580	554069560	/nfs/dbraw/zinc/06/95/60/554069560.db2.gz	MYTBFPKMUPYKDI-REEYDVFISA-N	1	1	351.491	2.042	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2	ZINC000330136130	554071848	/nfs/dbraw/zinc/07/18/48/554071848.db2.gz	NBUJHLMZYMJPSS-ZACQAIPSSA-N	1	1	373.501	2.121	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)C2)C1	ZINC000330178369	554079011	/nfs/dbraw/zinc/07/90/11/554079011.db2.gz	LOBVIJHOQCJHRM-OAQYLSRUSA-N	1	1	370.497	2.233	20	30		FEEDMO
Cc1ccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1N1CCNC1=O	ZINC000330196844	554083005	/nfs/dbraw/zinc/08/30/05/554083005.db2.gz	QYVSROWOQSHVJV-WMLDXEAASA-N	1	1	357.458	2.301	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NCc2sc(C)nc2C)C[C@H]1[NH+]1CCOCC1	ZINC000330205967	554084912	/nfs/dbraw/zinc/08/49/12/554084912.db2.gz	CURDCYMWLYJWJQ-HUUCEWRRSA-N	1	1	352.504	2.217	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2nccn(CC)c2=O)CC1	ZINC000330223997	554088029	/nfs/dbraw/zinc/08/80/29/554088029.db2.gz	SNHVKOLMUKSIQF-INIZCTEOSA-N	1	1	361.490	2.063	20	30		FEEDMO
C[C@@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)c1nccs1	ZINC000330228963	554089202	/nfs/dbraw/zinc/08/92/02/554089202.db2.gz	PXJDLAAOLUDYGL-UONOGXRCSA-N	1	1	352.504	2.346	20	30		FEEDMO
C[C@H]1CC[N@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCS1	ZINC000330260061	554094608	/nfs/dbraw/zinc/09/46/08/554094608.db2.gz	NXGAQCLFQLIFBK-NSHDSACASA-N	1	1	350.423	2.217	20	30		FEEDMO
C[C@H]1CC[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCS1	ZINC000330260061	554094609	/nfs/dbraw/zinc/09/46/09/554094609.db2.gz	NXGAQCLFQLIFBK-NSHDSACASA-N	1	1	350.423	2.217	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccnn2C)C1	ZINC000330262088	554095210	/nfs/dbraw/zinc/09/52/10/554095210.db2.gz	UQWGBQFXZPPOCS-RKVPGOIHSA-N	1	1	361.490	2.016	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CCOC2(CCOCC2)C1	ZINC000330268589	554096328	/nfs/dbraw/zinc/09/63/28/554096328.db2.gz	RHODXKVFXJZDRO-IRXDYDNUSA-N	1	1	362.474	2.298	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@H]1CCOC2(CCOCC2)C1	ZINC000330268589	554096331	/nfs/dbraw/zinc/09/63/31/554096331.db2.gz	RHODXKVFXJZDRO-IRXDYDNUSA-N	1	1	362.474	2.298	20	30		FEEDMO
O=C(Cn1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)cn1)NC1CC1	ZINC000330299130	554101774	/nfs/dbraw/zinc/10/17/74/554101774.db2.gz	HUYRQRHBVIONMQ-INIZCTEOSA-N	1	1	361.446	2.233	20	30		FEEDMO
C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC(=O)N1C	ZINC000330399134	554116342	/nfs/dbraw/zinc/11/63/42/554116342.db2.gz	CSVDZDGIVJNEES-IUODEOHRSA-N	1	1	352.866	2.019	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1	ZINC000330434129	554121323	/nfs/dbraw/zinc/12/13/23/554121323.db2.gz	XXAMALTWTJJLIX-KCXAZCMYSA-N	1	1	370.906	2.154	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1	ZINC000330434129	554121326	/nfs/dbraw/zinc/12/13/26/554121326.db2.gz	XXAMALTWTJJLIX-KCXAZCMYSA-N	1	1	370.906	2.154	20	30		FEEDMO
CC(C)C(=O)NC1CCN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1	ZINC000330482339	554127209	/nfs/dbraw/zinc/12/72/09/554127209.db2.gz	RJXHTZMJVBWSRQ-CVEARBPZSA-N	1	1	352.523	2.257	20	30		FEEDMO
CC(=O)Nc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c(Cl)c1	ZINC000330553940	554137321	/nfs/dbraw/zinc/13/73/21/554137321.db2.gz	USKIQFXMJHQPED-NEPJUHHUSA-N	1	1	368.865	2.231	20	30		FEEDMO
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CC[N@H+](C)C[C@H]1C	ZINC000330667878	554153990	/nfs/dbraw/zinc/15/39/90/554153990.db2.gz	JKGORSCZZJJNQH-WBMJQRKESA-N	1	1	353.413	2.457	20	30		FEEDMO
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CC[N@@H+](C)C[C@H]1C	ZINC000330667878	554153992	/nfs/dbraw/zinc/15/39/92/554153992.db2.gz	JKGORSCZZJJNQH-WBMJQRKESA-N	1	1	353.413	2.457	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N(C)C	ZINC000330681307	554156878	/nfs/dbraw/zinc/15/68/78/554156878.db2.gz	ZTVVYIFRNLQFDJ-LBPRGKRZSA-N	1	1	359.517	2.177	20	30		FEEDMO
CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1	ZINC000331017483	554201355	/nfs/dbraw/zinc/20/13/55/554201355.db2.gz	HSZURUBSPBSZMU-CABCVRRESA-N	1	1	362.474	2.276	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[C@@H]1C	ZINC000331096597	554211752	/nfs/dbraw/zinc/21/17/52/554211752.db2.gz	AMGUWQPHOAINFQ-ZFWWWQNUSA-N	1	1	353.488	2.440	20	30		FEEDMO
CNC(=O)c1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1Cl	ZINC000331201293	554229920	/nfs/dbraw/zinc/22/99/20/554229920.db2.gz	WTYRJYQLZDXCFH-NEPJUHHUSA-N	1	1	368.865	2.207	20	30		FEEDMO
CC(C)COc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cn1	ZINC000331202917	554230138	/nfs/dbraw/zinc/23/01/38/554230138.db2.gz	XRJSCKFAKKURJZ-HUUCEWRRSA-N	1	1	350.463	2.049	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)CC2)CCO1	ZINC000331391203	554256685	/nfs/dbraw/zinc/25/66/85/554256685.db2.gz	KBFVOQRDWSNDAO-PKOBYXMFSA-N	1	1	355.482	2.471	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1C#N	ZINC000509129181	561785837	/nfs/dbraw/zinc/78/58/37/561785837.db2.gz	UWWOLHUZLBPDFK-ACJLOTCBSA-N	1	1	370.453	2.259	20	30		FEEDMO
C=CCSCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000509187368	561789058	/nfs/dbraw/zinc/78/90/58/561789058.db2.gz	UUBRRLDMLCXODY-ROUUACIJSA-N	1	1	363.527	2.088	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)c1C#N	ZINC000509465754	561800772	/nfs/dbraw/zinc/80/07/72/561800772.db2.gz	TXMQIKOETAKTOV-SCLBCKFNSA-N	1	1	352.438	2.217	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)c1C#N	ZINC000509465754	561800774	/nfs/dbraw/zinc/80/07/74/561800774.db2.gz	TXMQIKOETAKTOV-SCLBCKFNSA-N	1	1	352.438	2.217	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000509737822	561812248	/nfs/dbraw/zinc/81/22/48/561812248.db2.gz	LZWBIDVCAWOTGI-ZWKOTPCHSA-N	1	1	354.454	2.044	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2C)CC1	ZINC000332649084	554490778	/nfs/dbraw/zinc/49/07/78/554490778.db2.gz	HWQNUXZWVAKTLX-NVXWUHKLSA-N	1	1	360.527	2.360	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2C)CC1	ZINC000332649084	554490780	/nfs/dbraw/zinc/49/07/80/554490780.db2.gz	HWQNUXZWVAKTLX-NVXWUHKLSA-N	1	1	360.527	2.360	20	30		FEEDMO
COc1ccc([C@H](CNS(=O)(=O)[C@@H](C)C#N)[NH+]2CCCCC2)cc1	ZINC000510778712	561846287	/nfs/dbraw/zinc/84/62/87/561846287.db2.gz	OKAMUNNNJAFNOJ-YOEHRIQHSA-N	1	1	351.472	2.054	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H]3CC[N@H+](C(C)C)C3)CC2)o1	ZINC000333759001	554640188	/nfs/dbraw/zinc/64/01/88/554640188.db2.gz	OTORTAQKLAINFF-MRXNPFEDSA-N	1	1	359.474	2.012	20	30		FEEDMO
C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCC(F)(C#N)CC2)CC1	ZINC000510966880	561852483	/nfs/dbraw/zinc/85/24/83/561852483.db2.gz	JLPMTHRWHBQTIN-QGZVFWFLSA-N	1	1	358.461	2.219	20	30		FEEDMO
C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCc1cccc(C#N)c1	ZINC000511092062	561856695	/nfs/dbraw/zinc/85/66/95/561856695.db2.gz	NYOUGYUDYWJWOT-UHFFFAOYSA-N	1	1	352.394	2.257	20	30		FEEDMO
C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCc1cccc(C#N)c1	ZINC000511092062	561856696	/nfs/dbraw/zinc/85/66/96/561856696.db2.gz	NYOUGYUDYWJWOT-UHFFFAOYSA-N	1	1	352.394	2.257	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2nc(C)cs2)C1	ZINC000360292379	554869679	/nfs/dbraw/zinc/86/96/79/554869679.db2.gz	QTHMNXZQHZNHAO-OAHLLOKOSA-N	1	1	362.499	2.303	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@]4(CC[C@H](C)C4)C3)CC2)o1	ZINC000360682890	554885232	/nfs/dbraw/zinc/88/52/32/554885232.db2.gz	WSJYFKPWUZVCGP-MGPUTAFESA-N	1	1	371.485	2.015	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1	ZINC000362136055	554952258	/nfs/dbraw/zinc/95/22/58/554952258.db2.gz	KBXHURBPGRAVTF-GFCCVEGCSA-N	1	1	360.389	2.158	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1	ZINC000362136055	554952259	/nfs/dbraw/zinc/95/22/59/554952259.db2.gz	KBXHURBPGRAVTF-GFCCVEGCSA-N	1	1	360.389	2.158	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1	ZINC000362356326	554965879	/nfs/dbraw/zinc/96/58/79/554965879.db2.gz	HDYGCTZSLXIVHC-INIZCTEOSA-N	1	1	367.396	2.423	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1	ZINC000362356326	554965882	/nfs/dbraw/zinc/96/58/82/554965882.db2.gz	HDYGCTZSLXIVHC-INIZCTEOSA-N	1	1	367.396	2.423	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000363006409	555008266	/nfs/dbraw/zinc/00/82/66/555008266.db2.gz	HQQHLQNYJDOLHX-JKSUJKDBSA-N	1	1	370.453	2.027	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1	ZINC000363515027	555125133	/nfs/dbraw/zinc/12/51/33/555125133.db2.gz	AUBMMUYRRYMPQB-PKOBYXMFSA-N	1	1	357.454	2.087	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1	ZINC000363584576	555141693	/nfs/dbraw/zinc/14/16/93/555141693.db2.gz	YNZFKVSEOQQLFF-MRXNPFEDSA-N	1	1	359.470	2.384	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000363870997	555203180	/nfs/dbraw/zinc/20/31/80/555203180.db2.gz	YYOGLUWFZBVQIR-MSOLQXFVSA-N	1	1	352.523	2.196	20	30		FEEDMO
C#CCN(C(=O)C(=O)Nc1cccc2c1CC[N@H+](CC)C2)C1CCCC1	ZINC000363926593	555215735	/nfs/dbraw/zinc/21/57/35/555215735.db2.gz	JTAUMDLJHRRGDT-UHFFFAOYSA-N	1	1	353.466	2.408	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000364226994	555274275	/nfs/dbraw/zinc/27/42/75/555274275.db2.gz	AQHKXJMYBBLLKC-PKOBYXMFSA-N	1	1	351.491	2.091	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1	ZINC000512320261	561900169	/nfs/dbraw/zinc/90/01/69/561900169.db2.gz	BJRZAZGUOFSSBM-INIZCTEOSA-N	1	1	372.488	2.119	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](n3cncn3)C2)c1	ZINC000364490938	555323226	/nfs/dbraw/zinc/32/32/26/555323226.db2.gz	BFFKKVPXJFPBIP-ROUUACIJSA-N	1	1	366.469	2.477	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](n3cncn3)C2)c1	ZINC000364490938	555323228	/nfs/dbraw/zinc/32/32/28/555323228.db2.gz	BFFKKVPXJFPBIP-ROUUACIJSA-N	1	1	366.469	2.477	20	30		FEEDMO
C[C@@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC[N@H+]1CC(C)(C)O	ZINC000364632366	555358171	/nfs/dbraw/zinc/35/81/71/555358171.db2.gz	QJBMBOSWPJMGSO-OAHLLOKOSA-N	1	1	354.454	2.490	20	30		FEEDMO
C=CC[C@@]1(C(=O)NC[C@H]2CC[N@H+](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000364930535	555440771	/nfs/dbraw/zinc/44/07/71/555440771.db2.gz	NUCGEMXKPXZKDD-BEFAXECRSA-N	1	1	351.491	2.400	20	30		FEEDMO
CCCC[N@@H+](C)CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000512611118	561910081	/nfs/dbraw/zinc/91/00/81/561910081.db2.gz	HXVGNKYNGKQSCJ-IBGZPJMESA-N	1	1	357.502	2.138	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc1OC	ZINC000365827386	555676733	/nfs/dbraw/zinc/67/67/33/555676733.db2.gz	BQYMKBVSEJMQPX-ROUUACIJSA-N	1	1	357.454	2.201	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH+]1CCC(O)(Cc2ccccc2F)CC1)C1CC1	ZINC000365867407	555688029	/nfs/dbraw/zinc/68/80/29/555688029.db2.gz	YWHYLWLFVNDAAC-LJQANCHMSA-N	1	1	359.445	2.004	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)C2)n1	ZINC000366039771	555734150	/nfs/dbraw/zinc/73/41/50/555734150.db2.gz	HIXBCTRIBOWFIS-DKSSEZFCSA-N	1	1	367.497	2.077	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(c2cnccn2)CC1	ZINC000366102360	555752004	/nfs/dbraw/zinc/75/20/04/555752004.db2.gz	FTLKJNUBGCBESW-UHFFFAOYSA-N	1	1	364.453	2.278	20	30		FEEDMO
CC(C)[N@H+]1CCO[C@@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000366182915	555774529	/nfs/dbraw/zinc/77/45/29/555774529.db2.gz	KLSXXUAPWUSKQU-MRXNPFEDSA-N	1	1	354.372	2.282	20	30		FEEDMO
CC(C)(C)NC(=O)CN1CCC[N@@H+](CCCOc2cccc(C#N)c2)CC1	ZINC000366298546	555804699	/nfs/dbraw/zinc/80/46/99/555804699.db2.gz	QOQCMGPJTUGHFS-UHFFFAOYSA-N	1	1	372.513	2.250	20	30		FEEDMO
C[C@@H](C#N)CN(C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)C1CC1	ZINC000513868025	561952854	/nfs/dbraw/zinc/95/28/54/561952854.db2.gz	PCMPAUYXXVWYAO-KSSFIOAISA-N	1	1	369.469	2.292	20	30		FEEDMO
C[C@@H](C#N)CN(C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)C1CC1	ZINC000513868025	561952855	/nfs/dbraw/zinc/95/28/55/561952855.db2.gz	PCMPAUYXXVWYAO-KSSFIOAISA-N	1	1	369.469	2.292	20	30		FEEDMO
CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000366372907	555825570	/nfs/dbraw/zinc/82/55/70/555825570.db2.gz	DEVZXXSNVQOKIH-QGZVFWFLSA-N	1	1	363.483	2.176	20	30		FEEDMO
Cc1ccc(CC2(O)CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1	ZINC000366389110	555830540	/nfs/dbraw/zinc/83/05/40/555830540.db2.gz	ZNBYBWXHPVSKHN-HXUWFJFHSA-N	1	1	355.482	2.173	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C	ZINC000366704874	555913468	/nfs/dbraw/zinc/91/34/68/555913468.db2.gz	SZFUNABAOMUMMS-APAFKAMOSA-N	1	1	365.518	2.156	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccccc3Cl)CC2)C1=O	ZINC000366849069	555950685	/nfs/dbraw/zinc/95/06/85/555950685.db2.gz	ZAFFHOJZAVWWCN-QGZVFWFLSA-N	1	1	361.873	2.275	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccccc3Cl)CC2)C1=O	ZINC000366849069	555950687	/nfs/dbraw/zinc/95/06/87/555950687.db2.gz	ZAFFHOJZAVWWCN-QGZVFWFLSA-N	1	1	361.873	2.275	20	30		FEEDMO
C=C(C)CS(=O)(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1	ZINC000367192522	556002951	/nfs/dbraw/zinc/00/29/51/556002951.db2.gz	BKZYXTFXDVEKCD-DOTOQJQBSA-N	1	1	354.520	2.031	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1CC[N@H+](CC)C2	ZINC000367194497	556003595	/nfs/dbraw/zinc/00/35/95/556003595.db2.gz	JRMRKUQQPUDVPQ-DNVCBOLYSA-N	1	1	371.481	2.101	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](CN3CCN(C)CC3)C2)cc1	ZINC000368050182	556204842	/nfs/dbraw/zinc/20/48/42/556204842.db2.gz	DEHNLCVKKYLXGG-QUCCMNQESA-N	1	1	356.514	2.437	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](CN3CCN(C)CC3)C2)cc1	ZINC000368050182	556204845	/nfs/dbraw/zinc/20/48/45/556204845.db2.gz	DEHNLCVKKYLXGG-QUCCMNQESA-N	1	1	356.514	2.437	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(c3ccc(C#N)cc3F)CC1)C2	ZINC000368053320	556205244	/nfs/dbraw/zinc/20/52/44/556205244.db2.gz	FAPYERYFZLTVDF-INIZCTEOSA-N	1	1	367.428	2.114	20	30		FEEDMO
C[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)Nc1ccccc1C#N	ZINC000368417260	556302214	/nfs/dbraw/zinc/30/22/14/556302214.db2.gz	QMESTDBXNWCCAR-KCITZHQASA-N	1	1	370.497	2.364	20	30		FEEDMO
C[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)C(=O)Nc1ccccc1C#N	ZINC000368417260	556302217	/nfs/dbraw/zinc/30/22/17/556302217.db2.gz	QMESTDBXNWCCAR-KCITZHQASA-N	1	1	370.497	2.364	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(c2cncc(F)c2)CC1	ZINC000368451375	556313130	/nfs/dbraw/zinc/31/31/30/556313130.db2.gz	RVGLPDOIHDHPDH-INIZCTEOSA-N	1	1	373.476	2.464	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(c2cncc(F)c2)CC1	ZINC000368451375	556313135	/nfs/dbraw/zinc/31/31/35/556313135.db2.gz	RVGLPDOIHDHPDH-INIZCTEOSA-N	1	1	373.476	2.464	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCN(C)[C@@H](C#N)C2)cc1F	ZINC000368699740	556390321	/nfs/dbraw/zinc/39/03/21/556390321.db2.gz	IHBNCNGZDIYGKD-BBRMVZONSA-N	1	1	370.432	2.230	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1	ZINC000515608001	562016778	/nfs/dbraw/zinc/01/67/78/562016778.db2.gz	SLMHBGWVUKNYPR-WNHJNPCNSA-N	1	1	356.470	2.003	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1	ZINC000515748313	562020907	/nfs/dbraw/zinc/02/09/07/562020907.db2.gz	YXKPQKSKHQDOQP-UHFFFAOYSA-N	1	1	353.382	2.143	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc1	ZINC000515748313	562020909	/nfs/dbraw/zinc/02/09/09/562020909.db2.gz	YXKPQKSKHQDOQP-UHFFFAOYSA-N	1	1	353.382	2.143	20	30		FEEDMO
C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)C2)C1	ZINC000515875430	562024334	/nfs/dbraw/zinc/02/43/34/562024334.db2.gz	ZSIOYENQKISAJP-INIZCTEOSA-N	1	1	353.875	2.318	20	30		FEEDMO
N#Cc1ccc(OCC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1	ZINC000369165017	556522882	/nfs/dbraw/zinc/52/28/82/556522882.db2.gz	RQMCNWMDECHBSH-IBGZPJMESA-N	1	1	364.449	2.360	20	30		FEEDMO
C=CCc1cc(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)cc(OC)c1O	ZINC000369537870	556624570	/nfs/dbraw/zinc/62/45/70/556624570.db2.gz	VVKTZZOFVYHXDI-OXJNMPFZSA-N	1	1	361.438	2.141	20	30		FEEDMO
Cc1nc2c(s1)CCC[C@@H]2C[N@@H+](C)CC(=O)N(CCC#N)CCC#N	ZINC000369549497	556628180	/nfs/dbraw/zinc/62/81/80/556628180.db2.gz	IJBQPPUVRYPTAH-OAHLLOKOSA-N	1	1	359.499	2.459	20	30		FEEDMO
Cc1nc2c(s1)CCC[C@@H]2C[N@H+](C)CC(=O)N(CCC#N)CCC#N	ZINC000369549497	556628183	/nfs/dbraw/zinc/62/81/83/556628183.db2.gz	IJBQPPUVRYPTAH-OAHLLOKOSA-N	1	1	359.499	2.459	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1Cn1nc(C)nc1C	ZINC000369593058	556641723	/nfs/dbraw/zinc/64/17/23/556641723.db2.gz	TVEPHTRVXRUILC-QGZVFWFLSA-N	1	1	355.442	2.319	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000369702808	556673105	/nfs/dbraw/zinc/67/31/05/556673105.db2.gz	KLVXEBKRHTULDK-HZPDHXFCSA-N	1	1	357.454	2.037	20	30		FEEDMO
C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cnn(C)c1	ZINC000369792330	556696460	/nfs/dbraw/zinc/69/64/60/556696460.db2.gz	GPFPETKDWXJHTO-MRXNPFEDSA-N	1	1	366.469	2.270	20	30		FEEDMO
N#CC(CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)(c1ccccc1)c1ccccc1	ZINC000516534728	562046485	/nfs/dbraw/zinc/04/64/85/562046485.db2.gz	UYIGDRPKQPOGLQ-LJQANCHMSA-N	1	1	374.444	2.122	20	30		FEEDMO
N#CC(CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)(c1ccccc1)c1ccccc1	ZINC000516534728	562046486	/nfs/dbraw/zinc/04/64/86/562046486.db2.gz	UYIGDRPKQPOGLQ-LJQANCHMSA-N	1	1	374.444	2.122	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1	ZINC000370295251	556832261	/nfs/dbraw/zinc/83/22/61/556832261.db2.gz	VMRQRHUPBDOLJG-IJEWVQPXSA-N	1	1	370.544	2.057	20	30		FEEDMO
CN1CCC[C@]2(CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1=O	ZINC000370410742	556865534	/nfs/dbraw/zinc/86/55/34/556865534.db2.gz	RJHJVRBKYKDWCJ-LJQANCHMSA-N	1	1	351.410	2.053	20	30		FEEDMO
Cc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nn1-c1cccc(C#N)c1	ZINC000370696063	556942989	/nfs/dbraw/zinc/94/29/89/556942989.db2.gz	FGRCEZVQLCYDSN-SJORKVTESA-N	1	1	364.453	2.801	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1)C1(C#N)CCCCC1	ZINC000370906322	557010719	/nfs/dbraw/zinc/01/07/19/557010719.db2.gz	VFDIQPAVUMJKQF-KRWDZBQOSA-N	1	1	360.502	2.148	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1)C1(C#N)CCCCC1	ZINC000370906322	557010722	/nfs/dbraw/zinc/01/07/22/557010722.db2.gz	VFDIQPAVUMJKQF-KRWDZBQOSA-N	1	1	360.502	2.148	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1C#N	ZINC000370910042	557011477	/nfs/dbraw/zinc/01/14/77/557011477.db2.gz	YTFFKVPCQDDSSY-DLBZAZTESA-N	1	1	358.442	2.330	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(CC#N)c2)CC1=O	ZINC000517014117	562071089	/nfs/dbraw/zinc/07/10/89/562071089.db2.gz	IVUINMMPQUUSMJ-SJLPKXTDSA-N	1	1	354.454	2.024	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C3(C#N)CCOCC3)[C@@H](C)C2)s1	ZINC000370960503	557028720	/nfs/dbraw/zinc/02/87/20/557028720.db2.gz	GTFSFGGPMVTZAS-BBRMVZONSA-N	1	1	362.499	2.099	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C3(C#N)CCOCC3)[C@@H](C)C2)s1	ZINC000370960506	557028984	/nfs/dbraw/zinc/02/89/84/557028984.db2.gz	GTFSFGGPMVTZAS-XJKSGUPXSA-N	1	1	362.499	2.099	20	30		FEEDMO
COc1cc(CC2C[NH+](Cc3cnc4c(C#N)cnn4c3)C2)cc(OC)c1	ZINC000517236618	562081806	/nfs/dbraw/zinc/08/18/06/562081806.db2.gz	BLHSWUKWDPKRQG-UHFFFAOYSA-N	1	1	363.421	2.293	20	30		FEEDMO
CCC[NH+]1CCN(C2CCN(Cc3cnc4ccc(C#N)cn34)CC2)CC1	ZINC000371324833	557146493	/nfs/dbraw/zinc/14/64/93/557146493.db2.gz	AVUFRRXHORAMAG-UHFFFAOYSA-N	1	1	366.513	2.198	20	30		FEEDMO
COc1ccccc1-c1noc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)n1	ZINC000371834124	557306590	/nfs/dbraw/zinc/30/65/90/557306590.db2.gz	HKATWWKXDAKMQP-CYBMUJFWSA-N	1	1	357.414	2.158	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000372341412	557444812	/nfs/dbraw/zinc/44/48/12/557444812.db2.gz	BSFIYBCRFRYNMZ-CCKFTAQKSA-N	1	1	354.454	2.124	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(c3cc(C#N)ccn3)CC2)C1	ZINC000372415140	557465271	/nfs/dbraw/zinc/46/52/71/557465271.db2.gz	DETIGGNTLPUVMI-MRXNPFEDSA-N	1	1	357.458	2.085	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)COc2ccccc2C#N)[C@@H]1c1cccnc1	ZINC000372421365	557466340	/nfs/dbraw/zinc/46/63/40/557466340.db2.gz	KNKDEBSOPDQXHY-PXNSSMCTSA-N	1	1	350.422	2.141	20	30		FEEDMO
Cc1ccn2c(c1)nnc2C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000372554666	557502835	/nfs/dbraw/zinc/50/28/35/557502835.db2.gz	DZCHVKFIOSNLKF-HXUWFJFHSA-N	1	1	368.485	2.272	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C2CCN(c3ncnc4ccccc43)CC2)C1=O	ZINC000374111157	557825106	/nfs/dbraw/zinc/82/51/06/557825106.db2.gz	ZXVSJNOZOSOQDB-IBGZPJMESA-N	1	1	365.481	2.317	20	30		FEEDMO
C=CCN1CC[C@@H]([NH+]2CCC(Oc3cnc4ccccc4n3)CC2)C1=O	ZINC000374169823	557836437	/nfs/dbraw/zinc/83/64/37/557836437.db2.gz	FHQIPDDTVZCEPV-GOSISDBHSA-N	1	1	352.438	2.260	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(C)=O	ZINC000374175770	557837772	/nfs/dbraw/zinc/83/77/72/557837772.db2.gz	PHZQHISQGMRVHW-ROUUACIJSA-N	1	1	357.454	2.421	20	30		FEEDMO
C#CCOc1ccccc1C[NH2+]CC(=O)N[C@@H]1CCOc2ccccc21	ZINC000374317012	557864382	/nfs/dbraw/zinc/86/43/82/557864382.db2.gz	QEQZKSAMGKMLGC-GOSISDBHSA-N	1	1	350.418	2.428	20	30		FEEDMO
C#CCOc1ccccc1C[N@H+]1CCC[C@H]1C(=O)NCC1CCOCC1	ZINC000374382678	557875463	/nfs/dbraw/zinc/87/54/63/557875463.db2.gz	BHGYEZPZSSQRQH-IBGZPJMESA-N	1	1	356.466	2.206	20	30		FEEDMO
C#CCOc1ccccc1C[N@@H+]1CCC[C@H]1C(=O)NCC1CCOCC1	ZINC000374382678	557875465	/nfs/dbraw/zinc/87/54/65/557875465.db2.gz	BHGYEZPZSSQRQH-IBGZPJMESA-N	1	1	356.466	2.206	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000374580516	557902294	/nfs/dbraw/zinc/90/22/94/557902294.db2.gz	QUVQXIODSIEAEF-CYBMUJFWSA-N	1	1	356.455	2.200	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)c3ccc(C#N)c(Cl)n3)CC2)nc(C)[nH+]1	ZINC000375090471	557976337	/nfs/dbraw/zinc/97/63/37/557976337.db2.gz	OUQWOWQNWLIHLJ-UHFFFAOYSA-N	1	1	370.844	2.412	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H](c1ccc(OC)cc1)c1ccc2c(c1)CCO2	ZINC000375119029	557980493	/nfs/dbraw/zinc/98/04/93/557980493.db2.gz	BMNPAORQEZWDOW-VFNWGFHPSA-N	1	1	364.445	2.447	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O	ZINC000375311974	558007511	/nfs/dbraw/zinc/00/75/11/558007511.db2.gz	ZGPLNJXCBFTNQD-SZNDQCEHSA-N	1	1	360.417	2.481	20	30		FEEDMO
C#CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000375466303	558032092	/nfs/dbraw/zinc/03/20/92/558032092.db2.gz	SXHVBQODBFBXRI-AHRSYUTCSA-N	1	1	350.466	2.164	20	30		FEEDMO
N#Cc1ccc(N2CCC([NH2+][C@@H](c3ncc[nH]3)c3ccncc3)CC2)nc1	ZINC000375531934	558043830	/nfs/dbraw/zinc/04/38/30/558043830.db2.gz	HCEWNXJMURMWLD-LJQANCHMSA-N	1	1	359.437	2.419	20	30		FEEDMO
Cc1ncccc1O[C@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000375968325	558107164	/nfs/dbraw/zinc/10/71/64/558107164.db2.gz	LNPVYORKEPXRQR-SFHVURJKSA-N	1	1	350.422	2.031	20	30		FEEDMO
Cc1ncccc1O[C@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000375968325	558107166	/nfs/dbraw/zinc/10/71/66/558107166.db2.gz	LNPVYORKEPXRQR-SFHVURJKSA-N	1	1	350.422	2.031	20	30		FEEDMO
C=CCOc1cccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1	ZINC000376736541	558214896	/nfs/dbraw/zinc/21/48/96/558214896.db2.gz	MDXSGQIMEKPCTE-UHFFFAOYSA-N	1	1	350.484	2.251	20	30		FEEDMO
C=CCOc1cccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)c1	ZINC000376736541	558214897	/nfs/dbraw/zinc/21/48/97/558214897.db2.gz	MDXSGQIMEKPCTE-UHFFFAOYSA-N	1	1	350.484	2.251	20	30		FEEDMO
C=CCN(C(=O)CCCCNC(N)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000377573133	558368629	/nfs/dbraw/zinc/36/86/29/558368629.db2.gz	NANKJZYQJLCIOA-GOSISDBHSA-N	1	1	358.486	2.114	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](Cc2cnnn2-c2ccccc2)CC1	ZINC000377588308	558372287	/nfs/dbraw/zinc/37/22/87/558372287.db2.gz	RORSGLSQWRFPGY-UHFFFAOYSA-N	1	1	359.437	2.246	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+](Cc2cnnn2-c2ccccc2)CC1	ZINC000377588308	558372288	/nfs/dbraw/zinc/37/22/88/558372288.db2.gz	RORSGLSQWRFPGY-UHFFFAOYSA-N	1	1	359.437	2.246	20	30		FEEDMO
Cc1cccnc1OC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000377717865	558404266	/nfs/dbraw/zinc/40/42/66/558404266.db2.gz	CEGLUNAPQDUJQK-UHFFFAOYSA-N	1	1	364.449	2.421	20	30		FEEDMO
C[C@](C#N)(NC(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CC1	ZINC000377732534	558407601	/nfs/dbraw/zinc/40/76/01/558407601.db2.gz	MMTQNEBRACUNLH-CNNODRBYSA-N	1	1	366.509	2.249	20	30		FEEDMO
C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1	ZINC000377758144	558413164	/nfs/dbraw/zinc/41/31/64/558413164.db2.gz	BIJKNKFDYRSMCU-RHSMWYFYSA-N	1	1	368.462	2.367	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1	ZINC000377808966	558424232	/nfs/dbraw/zinc/42/42/32/558424232.db2.gz	JPFWUCCHDHOELD-QXAKKESOSA-N	1	1	354.454	2.215	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	ZINC000377881074	558441079	/nfs/dbraw/zinc/44/10/79/558441079.db2.gz	USDBDFDFQSXYJI-MOPGFXCFSA-N	1	1	358.486	2.436	20	30		FEEDMO
CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)Cc1ccc(C#N)cc1	ZINC000522881042	562205389	/nfs/dbraw/zinc/20/53/89/562205389.db2.gz	FVKTWBRJDZMAAK-IBGZPJMESA-N	1	1	371.481	2.367	20	30		FEEDMO
C=CCN(C(=O)[C@@H](O)c1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000378318448	558528671	/nfs/dbraw/zinc/52/86/71/558528671.db2.gz	UVRUCSWRMWCVEJ-UXHICEINSA-N	1	1	351.450	2.404	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)c1	ZINC000378339224	558533307	/nfs/dbraw/zinc/53/33/07/558533307.db2.gz	VWTMXFFHZYGOAS-QGZVFWFLSA-N	1	1	365.477	2.329	20	30		FEEDMO
CCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000523607390	562215822	/nfs/dbraw/zinc/21/58/22/562215822.db2.gz	XIJMOINCYXXOBE-BXWFABGCSA-N	1	1	350.507	2.058	20	30		FEEDMO
N#CC1(NC(=O)c2ccc([N+](=O)[O-])o2)CC[NH+](Cc2ccccc2)CC1	ZINC000378480577	558567061	/nfs/dbraw/zinc/56/70/61/558567061.db2.gz	ZOJHSEGEWFSXPF-UHFFFAOYSA-N	1	1	354.366	2.476	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](n3cc4ccccc4n3)C2)cc1	ZINC000378568692	558585331	/nfs/dbraw/zinc/58/53/31/558585331.db2.gz	OVKSZVDAPBJHPI-LJQANCHMSA-N	1	1	359.433	2.471	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](n3cc4ccccc4n3)C2)c1	ZINC000378572929	558586585	/nfs/dbraw/zinc/58/65/85/558586585.db2.gz	CSVWPLOGBHBQGJ-LJQANCHMSA-N	1	1	359.433	2.471	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F	ZINC000385131831	558606263	/nfs/dbraw/zinc/60/62/63/558606263.db2.gz	UZJKPZONTJCIFZ-INIZCTEOSA-N	1	1	359.426	2.250	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F	ZINC000385131831	558606264	/nfs/dbraw/zinc/60/62/64/558606264.db2.gz	UZJKPZONTJCIFZ-INIZCTEOSA-N	1	1	359.426	2.250	20	30		FEEDMO
CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccccc1C#N	ZINC000385200249	558606280	/nfs/dbraw/zinc/60/62/80/558606280.db2.gz	SJGCZQVAPULTDP-SFHVURJKSA-N	1	1	355.463	2.453	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000411163987	558847294	/nfs/dbraw/zinc/84/72/94/558847294.db2.gz	KZROADFTPQLPDL-GOSISDBHSA-N	1	1	357.498	2.198	20	30		FEEDMO
C[C@@H](CCC#N)[NH+]1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1	ZINC000411500075	558906426	/nfs/dbraw/zinc/90/64/26/558906426.db2.gz	SEGYWGGAWJSHBA-ICSRJNTNSA-N	1	1	354.498	2.487	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)N(C)C)C1	ZINC000411933364	558990888	/nfs/dbraw/zinc/99/08/88/558990888.db2.gz	AYUFOJVFWWPODK-GJZGRUSLSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)N(C)C)C1	ZINC000411933364	558990891	/nfs/dbraw/zinc/99/08/91/558990891.db2.gz	AYUFOJVFWWPODK-GJZGRUSLSA-N	1	1	374.510	2.429	20	30		FEEDMO
CC[N@H+](CC(=O)NC1(C#N)CCC1)CC1CCN(c2ccccn2)CC1	ZINC000525893947	562258892	/nfs/dbraw/zinc/25/88/92/562258892.db2.gz	DTFHDSIHPGOJJM-UHFFFAOYSA-N	1	1	355.486	2.182	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000411973209	558998058	/nfs/dbraw/zinc/99/80/58/558998058.db2.gz	WWGGFURWKNZKSG-QVKFZJNVSA-N	1	1	362.433	2.014	20	30		FEEDMO
CC(C)[N@@H+](C[C@H]1CCC(=O)N1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000412065078	559008881	/nfs/dbraw/zinc/00/88/81/559008881.db2.gz	CVEYLOYKGLADMU-AEFFLSMTSA-N	1	1	354.454	2.043	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+](C)C(C)(C)CN2CCOCC2)c(C#N)c1C	ZINC000412090134	559012003	/nfs/dbraw/zinc/01/20/03/559012003.db2.gz	FYMYUMQFYCSLNE-UHFFFAOYSA-N	1	1	364.515	2.218	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+](C)C(C)(C)CN2CCOCC2)c(C#N)c1C	ZINC000412090134	559012006	/nfs/dbraw/zinc/01/20/06/559012006.db2.gz	FYMYUMQFYCSLNE-UHFFFAOYSA-N	1	1	364.515	2.218	20	30		FEEDMO
C=CCOc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc1OC	ZINC000414054653	559148959	/nfs/dbraw/zinc/14/89/59/559148959.db2.gz	VAIKNDIMCVCWAZ-UHFFFAOYSA-N	1	1	362.470	2.443	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)c1C#N	ZINC000527065288	562275246	/nfs/dbraw/zinc/27/52/46/562275246.db2.gz	WSICHERJOCZZNS-UHFFFAOYSA-N	1	1	361.453	2.108	20	30		FEEDMO
Cn1ncc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1C#N	ZINC000527250537	562282289	/nfs/dbraw/zinc/28/22/89/562282289.db2.gz	MEFJEFMYPXLQOI-PKOBYXMFSA-N	1	1	363.465	2.418	20	30		FEEDMO
C[N@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1	ZINC000416563687	559322152	/nfs/dbraw/zinc/32/21/52/559322152.db2.gz	YLFSZNGLYGKRAE-CQSZACIVSA-N	1	1	355.891	2.416	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C)C[N@@H+]1CCO	ZINC000416822166	559333872	/nfs/dbraw/zinc/33/38/72/559333872.db2.gz	VEJGLRFDQMRRPN-NEPJUHHUSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C)C[N@H+]1CCO	ZINC000416822166	559333873	/nfs/dbraw/zinc/33/38/73/559333873.db2.gz	VEJGLRFDQMRRPN-NEPJUHHUSA-N	1	1	368.384	2.078	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)cc1	ZINC000418408338	559400575	/nfs/dbraw/zinc/40/05/75/559400575.db2.gz	GIWPLWQTGKRPNX-WOJBJXKFSA-N	1	1	369.513	2.293	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)cc1	ZINC000418776586	559415421	/nfs/dbraw/zinc/41/54/21/559415421.db2.gz	UFOLQLGFQZCMSV-HXUWFJFHSA-N	1	1	369.513	2.308	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1C[C@H](C)[N@H+](CCO)C[C@H]1C	ZINC000419317526	559436667	/nfs/dbraw/zinc/43/66/67/559436667.db2.gz	AJOBMCHBBDNSCT-JKSUJKDBSA-N	1	1	363.527	2.290	20	30		FEEDMO
C[C@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC[N@H+]1CC(C)(C)O	ZINC000419619005	559450135	/nfs/dbraw/zinc/45/01/35/559450135.db2.gz	PEXXUMKCKDHEER-HNAYVOBHSA-N	1	1	370.497	2.422	20	30		FEEDMO
CCN1CCC([N@@H+]2CCCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1	ZINC000420630153	559494443	/nfs/dbraw/zinc/49/44/43/559494443.db2.gz	SGWXRIUCWZSUOL-UHFFFAOYSA-N	1	1	357.458	2.463	20	30		FEEDMO
CCN1CCC([N@H+]2CCCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1	ZINC000420630153	559494444	/nfs/dbraw/zinc/49/44/44/559494444.db2.gz	SGWXRIUCWZSUOL-UHFFFAOYSA-N	1	1	357.458	2.463	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000420764074	559503049	/nfs/dbraw/zinc/50/30/49/559503049.db2.gz	JQQDXUWSXQEZLV-ZDUSSCGKSA-N	1	1	372.288	2.035	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000420764072	559503152	/nfs/dbraw/zinc/50/31/52/559503152.db2.gz	JQQDXUWSXQEZLV-CYBMUJFWSA-N	1	1	372.288	2.035	20	30		FEEDMO
CNC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1	ZINC000420980422	559516743	/nfs/dbraw/zinc/51/67/43/559516743.db2.gz	USMIHXKBWHNSJS-CHWSQXEVSA-N	1	1	374.510	2.141	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(C#N)cn1CC	ZINC000421182569	559529490	/nfs/dbraw/zinc/52/94/90/559529490.db2.gz	LIQJEROSMNLPER-BETUJISGSA-N	1	1	361.446	2.113	20	30		FEEDMO
C=CCn1c(CC2CC2)nnc1N1CCC[N@H+](C2CCN(CC)CC2)CC1	ZINC000421258190	559534074	/nfs/dbraw/zinc/53/40/74/559534074.db2.gz	DTTKJZWDNFPCCH-UHFFFAOYSA-N	1	1	372.561	2.413	20	30		FEEDMO
C=CCn1c(CC2CC2)nnc1N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000421258190	559534075	/nfs/dbraw/zinc/53/40/75/559534075.db2.gz	DTTKJZWDNFPCCH-UHFFFAOYSA-N	1	1	372.561	2.413	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C	ZINC000421292471	559536455	/nfs/dbraw/zinc/53/64/55/559536455.db2.gz	BEKPNSDMPUBPMP-HUUCEWRRSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000422432652	559587933	/nfs/dbraw/zinc/58/79/33/559587933.db2.gz	XMHKEXRLVPDTLO-SJLPKXTDSA-N	1	1	370.497	2.069	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422483931	559591140	/nfs/dbraw/zinc/59/11/40/559591140.db2.gz	YKAANAYRCRZGIA-IAGOWNOFSA-N	1	1	370.497	2.164	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422483931	559591141	/nfs/dbraw/zinc/59/11/41/559591141.db2.gz	YKAANAYRCRZGIA-IAGOWNOFSA-N	1	1	370.497	2.164	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21	ZINC000422529363	559593102	/nfs/dbraw/zinc/59/31/02/559593102.db2.gz	OYEGQRNIQOQQSB-AQNXPRMDSA-N	1	1	369.509	2.233	20	30		FEEDMO
N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1	ZINC000424164990	559656580	/nfs/dbraw/zinc/65/65/80/559656580.db2.gz	CXMPTWRHAHSTEG-CVEARBPZSA-N	1	1	352.442	2.199	20	30		FEEDMO
C=CCCn1cc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)nn1	ZINC000424648327	559672201	/nfs/dbraw/zinc/67/22/01/559672201.db2.gz	LXHHHYZBXUMIJU-OAHLLOKOSA-N	1	1	355.442	2.500	20	30		FEEDMO
C=CCC1(C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1	ZINC000424790787	559676821	/nfs/dbraw/zinc/67/68/21/559676821.db2.gz	LCYIHUBIRNCALW-QFIPXVFZSA-N	1	1	372.509	2.455	20	30		FEEDMO
C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)[C@@H]2C1	ZINC000425213678	559691702	/nfs/dbraw/zinc/69/17/02/559691702.db2.gz	HJAPCTWSUROQKD-XHDPSFHLSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C	ZINC000425386770	559699386	/nfs/dbraw/zinc/69/93/86/559699386.db2.gz	PUJKHXLCJSMHAI-APWZRJJASA-N	1	1	370.497	2.410	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nn1	ZINC000425502263	559706223	/nfs/dbraw/zinc/70/62/23/559706223.db2.gz	PNVGMOMQTNUCSL-LJQANCHMSA-N	1	1	370.501	2.420	20	30		FEEDMO
C[C@@H](C#N)N(CC(=O)N1CC[NH+](C)CC1)Cc1cccc(C(F)(F)F)c1	ZINC000425536151	559708486	/nfs/dbraw/zinc/70/84/86/559708486.db2.gz	OLDWDKQJOOAZFX-AWEZNQCLSA-N	1	1	368.403	2.193	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000425547019	559708977	/nfs/dbraw/zinc/70/89/77/559708977.db2.gz	WWNUUXFAOFNTEW-FXAWDEMLSA-N	1	1	372.513	2.024	20	30		FEEDMO
C=CCn1cc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](CC)C2)nn1	ZINC000425562725	559709938	/nfs/dbraw/zinc/70/99/38/559709938.db2.gz	GXMRVRJQFHUEEL-LJQANCHMSA-N	1	1	368.485	2.270	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000425908509	559724931	/nfs/dbraw/zinc/72/49/31/559724931.db2.gz	IFZLTQPFHYAGNY-BEFAXECRSA-N	1	1	368.481	2.211	20	30		FEEDMO
N#Cc1c(F)cccc1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000427258062	559751519	/nfs/dbraw/zinc/75/15/19/559751519.db2.gz	BEQIUALPZSDGOH-HXUWFJFHSA-N	1	1	353.397	2.064	20	30		FEEDMO
CCC(CC)[C@@H](CNC(=O)c1ncc(C#N)cc1Cl)[NH+]1CCOCC1	ZINC000427919623	559765347	/nfs/dbraw/zinc/76/53/47/559765347.db2.gz	YWKGMPYHGOKIJJ-MRXNPFEDSA-N	1	1	364.877	2.473	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nc1	ZINC000428786463	559783365	/nfs/dbraw/zinc/78/33/65/559783365.db2.gz	NMEOTAVLAFPYEF-QGZVFWFLSA-N	1	1	354.366	2.394	20	30		FEEDMO
CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1	ZINC000428864262	559785188	/nfs/dbraw/zinc/78/51/88/559785188.db2.gz	SIRFSNQNUBZRDA-KRWDZBQOSA-N	1	1	363.483	2.176	20	30		FEEDMO
C[C@@H](c1ccccc1)[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)C(N)=O	ZINC000428865747	559785221	/nfs/dbraw/zinc/78/52/21/559785221.db2.gz	WTCWRSMPYCKFRO-SGTLLEGYSA-N	1	1	370.840	2.397	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc1Cl	ZINC000430091974	559812994	/nfs/dbraw/zinc/81/29/94/559812994.db2.gz	VVLMUALQRRNPHI-AWEZNQCLSA-N	1	1	358.891	2.371	20	30		FEEDMO
C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc1Cl	ZINC000430091974	559812995	/nfs/dbraw/zinc/81/29/95/559812995.db2.gz	VVLMUALQRRNPHI-AWEZNQCLSA-N	1	1	358.891	2.371	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC1(CC#N)CC1	ZINC000430848537	559829176	/nfs/dbraw/zinc/82/91/76/559829176.db2.gz	BGLPQAFOZSXONH-KRWDZBQOSA-N	1	1	355.486	2.190	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000436265241	559938991	/nfs/dbraw/zinc/93/89/91/559938991.db2.gz	LUHRMUAKHWYYMU-NRSPTQNISA-N	1	1	371.525	2.385	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000436265241	559938992	/nfs/dbraw/zinc/93/89/92/559938992.db2.gz	LUHRMUAKHWYYMU-NRSPTQNISA-N	1	1	371.525	2.385	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1	ZINC000437626328	559966951	/nfs/dbraw/zinc/96/69/51/559966951.db2.gz	IRHZEQSFYMTXSA-KURKYZTESA-N	1	1	353.507	2.014	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1	ZINC000439596431	559997718	/nfs/dbraw/zinc/99/77/18/559997718.db2.gz	ONGPYIGLWYEQRW-QGZVFWFLSA-N	1	1	357.454	2.275	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C	ZINC000442282868	560047845	/nfs/dbraw/zinc/04/78/45/560047845.db2.gz	JPRJSQLPEKCANO-QLFBSQMISA-N	1	1	374.510	2.428	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C	ZINC000442282868	560047846	/nfs/dbraw/zinc/04/78/46/560047846.db2.gz	JPRJSQLPEKCANO-QLFBSQMISA-N	1	1	374.510	2.428	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)CCCCC(C)(C)C#N)C1	ZINC000444602514	560116261	/nfs/dbraw/zinc/11/62/61/560116261.db2.gz	KBLMZPWSQCTDPI-INIZCTEOSA-N	1	1	351.491	2.440	20	30		FEEDMO
CC[N@@H+](CCNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C1CC1	ZINC000446534936	560147228	/nfs/dbraw/zinc/14/72/28/560147228.db2.gz	GBMUZWUBFPFJRY-UHFFFAOYSA-N	1	1	371.485	2.427	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[C@H]1C	ZINC000447229145	560158254	/nfs/dbraw/zinc/15/82/54/560158254.db2.gz	GXCZJEFUQPFEET-TZMCWYRMSA-N	1	1	362.861	2.481	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000448329446	560184748	/nfs/dbraw/zinc/18/47/48/560184748.db2.gz	WGLLDQPDCPXUDB-OAHLLOKOSA-N	1	1	373.501	2.290	20	30		FEEDMO
C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(Br)cc1C#N	ZINC000448970373	560209642	/nfs/dbraw/zinc/20/96/42/560209642.db2.gz	LRPQHRBHXPUSRE-LBPRGKRZSA-N	1	1	366.259	2.161	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)COc1cccc(Br)c1C#N	ZINC000449838645	560242025	/nfs/dbraw/zinc/24/20/25/560242025.db2.gz	HJDFYAHBBOFWFU-UHFFFAOYSA-N	1	1	354.248	2.156	20	30		FEEDMO
CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3cc(C#N)[nH]c3C)cc2)CC1	ZINC000450441791	560262295	/nfs/dbraw/zinc/26/22/95/560262295.db2.gz	VKLVEMLEVOCCRI-UHFFFAOYSA-N	1	1	365.437	2.111	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ncc(C#N)cc1[N+](=O)[O-]	ZINC000450449868	560262602	/nfs/dbraw/zinc/26/26/02/560262602.db2.gz	DASHDHFXSAMTPG-RDJZCZTQSA-N	1	1	352.398	2.386	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3ccc(C#N)c(C)n3)C2)CC1	ZINC000450781369	560273113	/nfs/dbraw/zinc/27/31/13/560273113.db2.gz	ZQRASBCOTLCZCI-SFHVURJKSA-N	1	1	355.486	2.032	20	30		FEEDMO
CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC12COC2	ZINC000451135047	560289127	/nfs/dbraw/zinc/28/91/27/560289127.db2.gz	MBNWQUWRPOVXSY-CQSZACIVSA-N	1	1	366.364	2.171	20	30		FEEDMO
CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC12COC2	ZINC000451135047	560289128	/nfs/dbraw/zinc/28/91/28/560289128.db2.gz	MBNWQUWRPOVXSY-CQSZACIVSA-N	1	1	366.364	2.171	20	30		FEEDMO
C[C@H]1C[C@@]1(C#N)C(=O)NC1CC([N@@H+](CC(=O)OC(C)(C)C)CC2CC2)C1	ZINC000451157879	560290415	/nfs/dbraw/zinc/29/04/15/560290415.db2.gz	JBRDABAGHUEHPM-YPDVSMPASA-N	1	1	361.486	2.237	20	30		FEEDMO
C[C@H]1C[C@@]1(C#N)C(=O)NC1CC([N@H+](CC(=O)OC(C)(C)C)CC2CC2)C1	ZINC000451157879	560290416	/nfs/dbraw/zinc/29/04/16/560290416.db2.gz	JBRDABAGHUEHPM-YPDVSMPASA-N	1	1	361.486	2.237	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000451168482	560290883	/nfs/dbraw/zinc/29/08/83/560290883.db2.gz	JZQISJZMZQDKMZ-BBWFWOEESA-N	1	1	366.502	2.232	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000451168482	560290884	/nfs/dbraw/zinc/29/08/84/560290884.db2.gz	JZQISJZMZQDKMZ-BBWFWOEESA-N	1	1	366.502	2.232	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1C	ZINC000451236054	560294839	/nfs/dbraw/zinc/29/48/39/560294839.db2.gz	MKIDWSUKJZIZAP-SUMWQHHRSA-N	1	1	353.463	2.332	20	30		FEEDMO
C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451238808	560295202	/nfs/dbraw/zinc/29/52/02/560295202.db2.gz	DXPDJKIYTBXUEY-SWLSCSKDSA-N	1	1	355.891	2.367	20	30		FEEDMO
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000451266466	560297169	/nfs/dbraw/zinc/29/71/69/560297169.db2.gz	PAXDACUMRMDFCE-GOSISDBHSA-N	1	1	365.474	2.381	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)CC1	ZINC000451403893	560304596	/nfs/dbraw/zinc/30/45/96/560304596.db2.gz	FHNUPDRDKFOXQQ-XHSDSOJGSA-N	1	1	374.451	2.342	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C[C@@H]2C)CC1	ZINC000451403893	560304597	/nfs/dbraw/zinc/30/45/97/560304597.db2.gz	FHNUPDRDKFOXQQ-XHSDSOJGSA-N	1	1	374.451	2.342	20	30		FEEDMO
COC(=O)[C@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]1c1ccccc1	ZINC000451994615	560343615	/nfs/dbraw/zinc/34/36/15/560343615.db2.gz	MHQCIPFMOXDYCP-MSOLQXFVSA-N	1	1	369.465	2.218	20	30		FEEDMO
COC(=O)[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]1c1ccccc1	ZINC000451994615	560343616	/nfs/dbraw/zinc/34/36/16/560343616.db2.gz	MHQCIPFMOXDYCP-MSOLQXFVSA-N	1	1	369.465	2.218	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1	ZINC000452386408	560362356	/nfs/dbraw/zinc/36/23/56/560362356.db2.gz	FQCPPGBEQHGNAV-GOSISDBHSA-N	1	1	359.470	2.070	20	30		FEEDMO
C=CCn1c([C@H]2CCCO2)nnc1N1CC[N@@H+](CCOC)[C@H](CCC)C1	ZINC000453414466	560386167	/nfs/dbraw/zinc/38/61/67/560386167.db2.gz	NQEFGUHVLCCGKU-IAGOWNOFSA-N	1	1	363.506	2.253	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](CCOCC)CC1	ZINC000453470593	560387498	/nfs/dbraw/zinc/38/74/98/560387498.db2.gz	QEHMKKAJEXFCTR-IRXDYDNUSA-N	1	1	363.506	2.253	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)c1ccsc1	ZINC000453567718	560388998	/nfs/dbraw/zinc/38/89/98/560388998.db2.gz	AOGAEMSVJFIRCD-INIZCTEOSA-N	1	1	356.451	2.172	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1	ZINC000453670167	560395279	/nfs/dbraw/zinc/39/52/79/560395279.db2.gz	KVMMDOXJIHGGIB-INIZCTEOSA-N	1	1	356.470	2.289	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1	ZINC000453706874	560398436	/nfs/dbraw/zinc/39/84/36/560398436.db2.gz	BMAUSDJSLPVVNE-UHFFFAOYSA-N	1	1	372.469	2.228	20	30		FEEDMO
N#CCc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(Cl)c1	ZINC000453733321	560400352	/nfs/dbraw/zinc/40/03/52/560400352.db2.gz	WKYBJWOUYNIHEC-CQSZACIVSA-N	1	1	360.845	2.041	20	30		FEEDMO
N#CCc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c(Cl)c1	ZINC000453733321	560400353	/nfs/dbraw/zinc/40/03/53/560400353.db2.gz	WKYBJWOUYNIHEC-CQSZACIVSA-N	1	1	360.845	2.041	20	30		FEEDMO
CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453959838	560416867	/nfs/dbraw/zinc/41/68/67/560416867.db2.gz	FVBVVBRKYIZXQQ-AWEZNQCLSA-N	1	1	362.861	2.287	20	30		FEEDMO
CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453959838	560416868	/nfs/dbraw/zinc/41/68/68/560416868.db2.gz	FVBVVBRKYIZXQQ-AWEZNQCLSA-N	1	1	362.861	2.287	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[N@H+]3CCCC3(C)C)C2)n1	ZINC000457052147	560545822	/nfs/dbraw/zinc/54/58/22/560545822.db2.gz	INOJRDSHFIVLSR-GOSISDBHSA-N	1	1	369.513	2.469	20	30		FEEDMO
C=C(C)[C@H](NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)c1ccc(F)c(F)c1	ZINC000458669783	560639650	/nfs/dbraw/zinc/63/96/50/560639650.db2.gz	KXFJVPXPRWZTAI-GUYCJALGSA-N	1	1	353.413	2.290	20	30		FEEDMO
C=C(C)[C@H](NC(=O)N1CC[N@H+](CCO)C[C@@H]1C)c1ccc(F)c(F)c1	ZINC000458669783	560639651	/nfs/dbraw/zinc/63/96/51/560639651.db2.gz	KXFJVPXPRWZTAI-GUYCJALGSA-N	1	1	353.413	2.290	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000459005237	560661338	/nfs/dbraw/zinc/66/13/38/560661338.db2.gz	HLSBZUKAVCCPOI-HFSMHLIXSA-N	1	1	370.497	2.347	20	30		FEEDMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC(C)(C)CC#N	ZINC000459250691	560676083	/nfs/dbraw/zinc/67/60/83/560676083.db2.gz	AFORMBGZKZOSGM-UHFFFAOYSA-N	1	1	357.502	2.390	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1c1ccccc1	ZINC000459556845	560693951	/nfs/dbraw/zinc/69/39/51/560693951.db2.gz	ZTRWFCKVDWWGOY-VZRKHXGSSA-N	1	1	371.481	2.318	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000460023056	560729604	/nfs/dbraw/zinc/72/96/04/560729604.db2.gz	RVYYFKUNYSCNPC-LJQANCHMSA-N	1	1	373.497	2.008	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1	ZINC000460023056	560729606	/nfs/dbraw/zinc/72/96/06/560729606.db2.gz	RVYYFKUNYSCNPC-LJQANCHMSA-N	1	1	373.497	2.008	20	30		FEEDMO
CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000462016461	560792630	/nfs/dbraw/zinc/79/26/30/560792630.db2.gz	STXJYWSHHXGXTH-PKOBYXMFSA-N	1	1	357.502	2.135	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1C	ZINC000462078785	560795610	/nfs/dbraw/zinc/79/56/10/560795610.db2.gz	AODWOBIRCZMTME-ZIAGYGMSSA-N	1	1	353.430	2.085	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000468923352	560942365	/nfs/dbraw/zinc/94/23/65/560942365.db2.gz	ILELFNBYNGZASX-HUUCEWRRSA-N	1	1	364.408	2.081	20	30		FEEDMO
C[N@@H+](CCOc1ccccc1C#N)C[C@@H]1C[C@H](F)CN1Cc1ncccn1	ZINC000470806369	560990146	/nfs/dbraw/zinc/99/01/46/560990146.db2.gz	MWTYNOBEQQKYAH-ROUUACIJSA-N	1	1	369.444	2.271	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)n1	ZINC000471814754	561012297	/nfs/dbraw/zinc/01/22/97/561012297.db2.gz	FIXRBWRCYGABCB-OTWHNJEPSA-N	1	1	367.497	2.221	20	30		FEEDMO
C=CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000472244776	561021752	/nfs/dbraw/zinc/02/17/52/561021752.db2.gz	XXMAKWHPBGEKJI-AWEZNQCLSA-N	1	1	368.401	2.016	20	30		FEEDMO
CCOC(=O)c1coc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000475211018	561093045	/nfs/dbraw/zinc/09/30/45/561093045.db2.gz	VVLCNVVOOBVWHM-GOSISDBHSA-N	1	1	367.405	2.219	20	30		FEEDMO
CC(C)[C@H](CNC(=O)C[C@H](CC#N)c1ccccc1)N1CC[NH+](C)CC1	ZINC000475940574	561108226	/nfs/dbraw/zinc/10/82/26/561108226.db2.gz	TWNOKQALLFWYIL-PMACEKPBSA-N	1	1	356.514	2.462	20	30		FEEDMO
Cc1nc(N2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)sc1C	ZINC000528421137	562328332	/nfs/dbraw/zinc/32/83/32/562328332.db2.gz	OKWKQGUOZBBEJF-QGZVFWFLSA-N	1	1	372.494	2.194	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)ccc1F	ZINC000528476814	562331325	/nfs/dbraw/zinc/33/13/25/562331325.db2.gz	NCFSFJUVLZGPAC-HNNXBMFYSA-N	1	1	351.447	2.383	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1	ZINC000528504140	562332773	/nfs/dbraw/zinc/33/27/73/562332773.db2.gz	BPYHFAONGNIAMU-OALUTQOASA-N	1	1	364.445	2.320	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1	ZINC000528504140	562332774	/nfs/dbraw/zinc/33/27/74/562332774.db2.gz	BPYHFAONGNIAMU-OALUTQOASA-N	1	1	364.445	2.320	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1	ZINC000528517842	562333575	/nfs/dbraw/zinc/33/35/75/562333575.db2.gz	PHYPUCWBCQZWMC-SBHAEUEKSA-N	1	1	370.424	2.098	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1	ZINC000528517842	562333576	/nfs/dbraw/zinc/33/35/76/562333576.db2.gz	PHYPUCWBCQZWMC-SBHAEUEKSA-N	1	1	370.424	2.098	20	30		FEEDMO
CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)NC1(C#N)CCC1	ZINC000528612791	562338398	/nfs/dbraw/zinc/33/83/98/562338398.db2.gz	WWMVQOHACNBEHX-LJQANCHMSA-N	1	1	354.498	2.391	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CC2(CCOCC2)CC[C@@H]1CO	ZINC000528636632	562339371	/nfs/dbraw/zinc/33/93/71/562339371.db2.gz	DFLLNENYTCASIX-QGZVFWFLSA-N	1	1	360.454	2.199	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2ccc(COC)c(C#N)c2)CC[N@H+]1CCOC	ZINC000529212604	562364970	/nfs/dbraw/zinc/36/49/70/562364970.db2.gz	KUDMYRQPVAJANK-GOSISDBHSA-N	1	1	360.458	2.279	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2ccc(COC)c(C#N)c2)CC[N@H+]1C[C@H](C)O	ZINC000529213589	562365124	/nfs/dbraw/zinc/36/51/24/562365124.db2.gz	SJOMHLXDTLHQOT-KBXCAEBGSA-N	1	1	360.458	2.014	20	30		FEEDMO
Cc1[nH+]cc2n1C[C@H](C(=O)NC1(c3ccc(C#N)cc3)CCOCC1)CC2	ZINC000530059601	562396400	/nfs/dbraw/zinc/39/64/00/562396400.db2.gz	DZVZDFZJSWQOFT-QGZVFWFLSA-N	1	1	364.449	2.448	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)c1C#N	ZINC000530413778	562410153	/nfs/dbraw/zinc/41/01/53/562410153.db2.gz	AGUYSDBSMXJYPV-YVEFUNNKSA-N	1	1	370.428	2.499	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)c1C#N	ZINC000530413778	562410154	/nfs/dbraw/zinc/41/01/54/562410154.db2.gz	AGUYSDBSMXJYPV-YVEFUNNKSA-N	1	1	370.428	2.499	20	30		FEEDMO
N#CCN1CCC(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000531536669	562448906	/nfs/dbraw/zinc/44/89/06/562448906.db2.gz	YTGNLNOCCIFADI-LJQANCHMSA-N	1	1	358.461	2.142	20	30		FEEDMO
N#CCN1CCC(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1	ZINC000531536669	562448907	/nfs/dbraw/zinc/44/89/07/562448907.db2.gz	YTGNLNOCCIFADI-LJQANCHMSA-N	1	1	358.461	2.142	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)C1=O	ZINC000531706203	562454382	/nfs/dbraw/zinc/45/43/82/562454382.db2.gz	IYIRZBFJTHGUTB-UYAOXDASSA-N	1	1	354.450	2.298	20	30		FEEDMO
CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000533289956	562504130	/nfs/dbraw/zinc/50/41/30/562504130.db2.gz	HSWNPGCJBYHECG-MAUKXSAKSA-N	1	1	373.501	2.404	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1	ZINC000533304156	562504469	/nfs/dbraw/zinc/50/44/69/562504469.db2.gz	UGGSYJZZOYNLLE-CABCVRRESA-N	1	1	374.510	2.335	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1	ZINC000533304156	562504470	/nfs/dbraw/zinc/50/44/70/562504470.db2.gz	UGGSYJZZOYNLLE-CABCVRRESA-N	1	1	374.510	2.335	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+](CC(C)(C)O)C2CCOCC2)c(C#N)c1C	ZINC000533482362	562510347	/nfs/dbraw/zinc/51/03/47/562510347.db2.gz	XSUCFZDKEMPZNR-UHFFFAOYSA-N	1	1	365.499	2.427	20	30		FEEDMO
COc1cc(C#N)cc(Cl)c1OC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000533708696	562516538	/nfs/dbraw/zinc/51/65/38/562516538.db2.gz	XBYIAQSEQSAOEI-SCRDCRAPSA-N	1	1	354.834	2.069	20	30		FEEDMO
COc1cc(C#N)cc(Cl)c1OC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000533708696	562516539	/nfs/dbraw/zinc/51/65/39/562516539.db2.gz	XBYIAQSEQSAOEI-SCRDCRAPSA-N	1	1	354.834	2.069	20	30		FEEDMO
COc1cc(C#N)cc(Cl)c1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000533708695	562516551	/nfs/dbraw/zinc/51/65/51/562516551.db2.gz	XBYIAQSEQSAOEI-MBNYWOFBSA-N	1	1	354.834	2.069	20	30		FEEDMO
COc1cc(C#N)cc(Cl)c1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000533708695	562516552	/nfs/dbraw/zinc/51/65/52/562516552.db2.gz	XBYIAQSEQSAOEI-MBNYWOFBSA-N	1	1	354.834	2.069	20	30		FEEDMO
COC(=O)c1cccc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)c1C#N	ZINC000534470301	562534806	/nfs/dbraw/zinc/53/48/06/562534806.db2.gz	QDXVEKUCKMEFRP-QGZVFWFLSA-N	1	1	357.454	2.032	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1	ZINC000535552102	562561038	/nfs/dbraw/zinc/56/10/38/562561038.db2.gz	RNQCNQKDKMIHJO-MSOLQXFVSA-N	1	1	359.495	2.161	20	30		FEEDMO
CC(C)[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1nnc2ccccn21	ZINC000540918036	562596871	/nfs/dbraw/zinc/59/68/71/562596871.db2.gz	SJIQHLWBCBXDPK-KRWDZBQOSA-N	1	1	354.458	2.359	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cc(COc3ccccc3F)on2)CC1	ZINC000545926405	562631342	/nfs/dbraw/zinc/63/13/42/562631342.db2.gz	ZAOKDZPXWOJKIH-UHFFFAOYSA-N	1	1	358.373	2.110	20	30		FEEDMO
CCn1nc(C)c(C[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)c1C	ZINC000602926467	568018563	/nfs/dbraw/zinc/01/85/63/568018563.db2.gz	RKZNVIHIBWLJCX-SFHVURJKSA-N	1	1	356.470	2.458	20	30		FEEDMO
COC(=O)[C@@]1(C)C[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C	ZINC000602932978	568020082	/nfs/dbraw/zinc/02/00/82/568020082.db2.gz	WSHSNUVXMQNTTD-UGSOOPFHSA-N	1	1	361.467	2.372	20	30		FEEDMO
COC(=O)[C@@]1(C)C[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C	ZINC000602932978	568020084	/nfs/dbraw/zinc/02/00/84/568020084.db2.gz	WSHSNUVXMQNTTD-UGSOOPFHSA-N	1	1	361.467	2.372	20	30		FEEDMO
C[N@@H+](Cc1cn(C[C@@H](O)CC2(C#N)CCOCC2)nn1)C1CCCCC1	ZINC000603265748	568083492	/nfs/dbraw/zinc/08/34/92/568083492.db2.gz	BUMDIWSILNLWTK-SFHVURJKSA-N	1	1	361.490	2.114	20	30		FEEDMO
N#CCSCC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000604530403	568310939	/nfs/dbraw/zinc/31/09/39/568310939.db2.gz	KXYBTWFCKJSVCA-UHFFFAOYSA-N	1	1	358.467	2.169	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1	ZINC000606108252	568659830	/nfs/dbraw/zinc/65/98/30/568659830.db2.gz	RISORHHYOJMZIB-INIZCTEOSA-N	1	1	367.474	2.154	20	30		FEEDMO
COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000556394350	674400567	/nfs/dbraw/zinc/40/05/67/674400567.db2.gz	WKZXPBSPIHLSGK-SFHVURJKSA-N	1	1	359.451	2.148	20	30		FEEDMO
C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1	ZINC000736200484	599312415	/nfs/dbraw/zinc/31/24/15/599312415.db2.gz	STWSWYLDTFDIAZ-CQSZACIVSA-N	1	1	360.425	2.017	20	30		FEEDMO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@H+](CC)CCC	ZINC000819745620	606117304	/nfs/dbraw/zinc/11/73/04/606117304.db2.gz	MMWBSECPPMAMAF-UHFFFAOYSA-N	1	1	371.489	2.296	20	30		FEEDMO
N#Cc1ccccc1N1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1	ZINC000822842768	606969078	/nfs/dbraw/zinc/96/90/78/606969078.db2.gz	XVPNRQZOEKUNCX-UHFFFAOYSA-N	1	1	363.400	2.200	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1	ZINC000559768956	674555259	/nfs/dbraw/zinc/55/52/59/674555259.db2.gz	LWIMQEGWKOPGOG-UHFFFAOYSA-N	1	1	362.499	2.410	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cccc(C2CC2)c1	ZINC000814728131	674876831	/nfs/dbraw/zinc/87/68/31/674876831.db2.gz	MISYPTUALGUSMF-UHFFFAOYSA-N	1	1	360.527	2.474	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)/C=C\c1ccccc1Br	ZINC000815082961	674914027	/nfs/dbraw/zinc/91/40/27/674914027.db2.gz	JPMMDRAGEZYECW-LCYFTJDESA-N	1	1	371.300	2.294	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)COC	ZINC001048526064	675008866	/nfs/dbraw/zinc/00/88/66/675008866.db2.gz	NMDPQJYFUGGGJA-RRQVMCLOSA-N	1	1	350.503	2.362	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1	ZINC000564915677	675075857	/nfs/dbraw/zinc/07/58/57/675075857.db2.gz	ABTHKORAZHWJIM-BZUAXINKSA-N	1	1	351.491	2.294	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1	ZINC000564915677	675075859	/nfs/dbraw/zinc/07/58/59/675075859.db2.gz	ABTHKORAZHWJIM-BZUAXINKSA-N	1	1	351.491	2.294	20	30		FEEDMO
C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NCC)C2)c1O	ZINC000092304334	670738221	/nfs/dbraw/zinc/73/82/21/670738221.db2.gz	SRZMZOQYRUZPHL-QGZVFWFLSA-N	1	1	368.499	2.033	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(Nc2cc(Br)c(C#N)cc2F)CC1	ZINC000574530497	671251282	/nfs/dbraw/zinc/25/12/82/671251282.db2.gz	AWMDGEVWYMJFFT-UHFFFAOYSA-N	1	1	369.238	2.082	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1	ZINC000575133880	671300605	/nfs/dbraw/zinc/30/06/05/671300605.db2.gz	YBDDLWJUIVDXLU-CABCVRRESA-N	1	1	360.483	2.344	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1	ZINC000575774366	671319916	/nfs/dbraw/zinc/31/99/16/671319916.db2.gz	BGTQSSZQXUSWAK-LLVKDONJSA-N	1	1	361.389	2.197	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CCC1	ZINC000576086979	671342960	/nfs/dbraw/zinc/34/29/60/671342960.db2.gz	PBYDIHIQWRGBML-CYBMUJFWSA-N	1	1	359.392	2.230	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CCC1	ZINC000576086979	671342964	/nfs/dbraw/zinc/34/29/64/671342964.db2.gz	PBYDIHIQWRGBML-CYBMUJFWSA-N	1	1	359.392	2.230	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(C(=O)N[C@@]3(C#N)CCSC3)CC2)cs1	ZINC000609456905	675922758	/nfs/dbraw/zinc/92/27/58/675922758.db2.gz	XQCBWTQEOSBHEQ-MRXNPFEDSA-N	1	1	350.513	2.179	20	30		FEEDMO
CC(=O)NCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000580712593	671826787	/nfs/dbraw/zinc/82/67/87/671826787.db2.gz	NFJFOWVYGCTADD-GFCCVEGCSA-N	1	1	362.499	2.141	20	30		FEEDMO
C[N@@H+]1CCN(c2ccc(Cl)c(C#N)n2)[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000119795423	671908966	/nfs/dbraw/zinc/90/89/66/671908966.db2.gz	VIRZMOMPKPLBCW-LBPRGKRZSA-N	1	1	365.865	2.252	20	30		FEEDMO
C[N@H+]1CCN(c2ccc(Cl)c(C#N)n2)[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000119795423	671908967	/nfs/dbraw/zinc/90/89/67/671908967.db2.gz	VIRZMOMPKPLBCW-LBPRGKRZSA-N	1	1	365.865	2.252	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1	ZINC000583126177	672065707	/nfs/dbraw/zinc/06/57/07/672065707.db2.gz	RBNHXQHRONNIJX-LBPRGKRZSA-N	1	1	362.499	2.314	20	30		FEEDMO
C=CCn1c(=S)n(CN2CCC[C@@H]2C[NH+]2CCOCC2)nc1C1CC1	ZINC000173371374	672350753	/nfs/dbraw/zinc/35/07/53/672350753.db2.gz	GXFUGTWPQGPLNO-MRXNPFEDSA-N	1	1	363.531	2.232	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1	ZINC000175855307	672371144	/nfs/dbraw/zinc/37/11/44/672371144.db2.gz	XFYXUJDRFWGCRT-CABCVRRESA-N	1	1	365.499	2.428	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000611106921	676017947	/nfs/dbraw/zinc/01/79/47/676017947.db2.gz	BJNUGAGEQHMZNY-LBPRGKRZSA-N	1	1	359.373	2.092	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000611106921	676017949	/nfs/dbraw/zinc/01/79/49/676017949.db2.gz	BJNUGAGEQHMZNY-LBPRGKRZSA-N	1	1	359.373	2.092	20	30		FEEDMO
C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CSCc1ccc(C#N)cc1	ZINC000590402446	672579419	/nfs/dbraw/zinc/57/94/19/672579419.db2.gz	UGDDQPCEAASZBH-ROUUACIJSA-N	1	1	359.495	2.113	20	30		FEEDMO
COC(=O)[C@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[N@H+](C)C1	ZINC000591225083	672659165	/nfs/dbraw/zinc/65/91/65/672659165.db2.gz	YUYLKDNCHXGTPI-LLVKDONJSA-N	1	1	370.236	2.042	20	30		FEEDMO
COC(=O)[C@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[N@@H+](C)C1	ZINC000591225083	672659167	/nfs/dbraw/zinc/65/91/67/672659167.db2.gz	YUYLKDNCHXGTPI-LLVKDONJSA-N	1	1	370.236	2.042	20	30		FEEDMO
COc1nc(C)cc(C)c1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000591737132	672706513	/nfs/dbraw/zinc/70/65/13/672706513.db2.gz	XSEQXHOFYYFJCR-UHFFFAOYSA-N	1	1	359.451	2.142	20	30		FEEDMO
C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)C(F)(F)F	ZINC000219458830	672791080	/nfs/dbraw/zinc/79/10/80/672791080.db2.gz	XCSROAVKIXKBFI-GFCCVEGCSA-N	1	1	352.150	2.474	20	30		FEEDMO
C[NH+]=C(NCC1(N2CCSCC2)CCCC1)N(C)Cc1ccon1	ZINC000261795975	672903277	/nfs/dbraw/zinc/90/32/77/672903277.db2.gz	QXHOBWYSQFWHJT-UHFFFAOYSA-N	1	1	351.520	2.043	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccsc2C#N)[C@H](C)C1	ZINC000593546322	672939130	/nfs/dbraw/zinc/93/91/30/672939130.db2.gz	JUFCTJCMUJICNP-KGLIPLIRSA-N	1	1	371.528	2.035	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000279337936	672962364	/nfs/dbraw/zinc/96/23/64/672962364.db2.gz	IBOGSSGWDPKSTF-SFHVURJKSA-N	1	1	350.484	2.165	20	30		FEEDMO
C=C[C@H](O)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000612441673	676082503	/nfs/dbraw/zinc/08/25/03/676082503.db2.gz	MLONUGPTLSBLQQ-HNNXBMFYSA-N	1	1	353.260	2.077	20	30		FEEDMO
COc1cc(C[NH2+]CC2(C#N)CCCC2)cc(Cl)c1OCC(N)=O	ZINC000593650731	672970893	/nfs/dbraw/zinc/97/08/93/672970893.db2.gz	YYTUSCSDTDLITA-UHFFFAOYSA-N	1	1	351.834	2.386	20	30		FEEDMO
N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)CCCCF)CC2)c1	ZINC000593668667	672975070	/nfs/dbraw/zinc/97/50/70/672975070.db2.gz	PKVOVIPMYVKPDK-UHFFFAOYSA-N	1	1	353.463	2.192	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C	ZINC000685521194	673019322	/nfs/dbraw/zinc/01/93/22/673019322.db2.gz	ZGDFSRJQISHYJT-MRXNPFEDSA-N	1	1	363.527	2.499	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1	ZINC000328702121	673065209	/nfs/dbraw/zinc/06/52/09/673065209.db2.gz	JNFFMFATJPKBME-YESZJQIVSA-N	1	1	354.539	2.110	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N2CCC(NC(=O)CC3CCCC3)CC2)[N@@H+](C)C1	ZINC000329044103	673071371	/nfs/dbraw/zinc/07/13/71/673071371.db2.gz	UHZCGZCYGRPANU-IRXDYDNUSA-N	1	1	351.491	2.233	20	30		FEEDMO
O=C(Cc1cccs1)N1CCC[C@H]1C(=O)NCC[NH+]1CCSCC1	ZINC000329452540	673077432	/nfs/dbraw/zinc/07/74/32/673077432.db2.gz	PDLDDJWJIYDHNY-HNNXBMFYSA-N	1	1	367.540	2.287	20	30		FEEDMO
C[N@@H+](CCNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)C1CCCC1	ZINC000329435223	673077594	/nfs/dbraw/zinc/07/75/94/673077594.db2.gz	JNQXISAKNXVYAO-INIZCTEOSA-N	1	1	350.507	2.109	20	30		FEEDMO
C[N@@H+](CCNC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1)C1CCCC1	ZINC000329648343	673080936	/nfs/dbraw/zinc/08/09/36/673080936.db2.gz	AWAWUHMMFJFXKF-UHFFFAOYSA-N	1	1	371.547	2.208	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1	ZINC000594483773	673087797	/nfs/dbraw/zinc/08/77/97/673087797.db2.gz	PIKCVEHWEGXRQD-SJORKVTESA-N	1	1	351.447	2.134	20	30		FEEDMO
O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C1(O)CCOCC1	ZINC000330275227	673088121	/nfs/dbraw/zinc/08/81/21/673088121.db2.gz	LFBCLABXMCYEAO-MRXNPFEDSA-N	1	1	350.484	2.102	20	30		FEEDMO
O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C1(O)CCOCC1	ZINC000330275227	673088129	/nfs/dbraw/zinc/08/81/29/673088129.db2.gz	LFBCLABXMCYEAO-MRXNPFEDSA-N	1	1	350.484	2.102	20	30		FEEDMO
C#CCNC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1	ZINC000726603151	673131519	/nfs/dbraw/zinc/13/15/19/673131519.db2.gz	YAWUYPFYIAHILF-AWEZNQCLSA-N	1	1	358.829	2.319	20	30		FEEDMO
C#CCNC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1	ZINC000726603151	673131520	/nfs/dbraw/zinc/13/15/20/673131520.db2.gz	YAWUYPFYIAHILF-AWEZNQCLSA-N	1	1	358.829	2.319	20	30		FEEDMO
Cn1cc[nH+]c1[C@@H]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000365681224	673144817	/nfs/dbraw/zinc/14/48/17/673144817.db2.gz	YKZFVPBPAPSYHE-CABCVRRESA-N	1	1	355.467	2.338	20	30		FEEDMO
CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1	ZINC000595194492	673207753	/nfs/dbraw/zinc/20/77/53/673207753.db2.gz	NUWOZMUEYRDSCH-LBPRGKRZSA-N	1	1	362.499	2.456	20	30		FEEDMO
N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1	ZINC000595409275	673245426	/nfs/dbraw/zinc/24/54/26/673245426.db2.gz	CZXHQDOSHFYABB-HNNXBMFYSA-N	1	1	365.474	2.239	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC(c3nc(N)n[nH]3)CC2)c(Br)c1	ZINC000595489597	673257112	/nfs/dbraw/zinc/25/71/12/673257112.db2.gz	MKWYQUMLBVDWLV-UHFFFAOYSA-N	1	1	361.247	2.401	20	30		FEEDMO
N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1	ZINC000595496110	673258122	/nfs/dbraw/zinc/25/81/22/673258122.db2.gz	VPWUMIUDQWJXRG-CABCVRRESA-N	1	1	359.499	2.078	20	30		FEEDMO
C=CCN1C(=S)N=NC1c1sc(NC(=O)C[N@H+](C)CCC)nc1C	ZINC000730104227	673262087	/nfs/dbraw/zinc/26/20/87/673262087.db2.gz	MVCDTJAUKSVJQZ-UHFFFAOYSA-N	1	1	366.516	2.465	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc(F)c(F)c(F)c1	ZINC000730431490	673280631	/nfs/dbraw/zinc/28/06/31/673280631.db2.gz	QQRZENSRGXGSDD-UHFFFAOYSA-N	1	1	374.432	2.014	20	30		FEEDMO
CC(C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595850717	673329972	/nfs/dbraw/zinc/32/99/72/673329972.db2.gz	NLJQILPGWWRGOB-CQSZACIVSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC(C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595850717	673329975	/nfs/dbraw/zinc/32/99/75/673329975.db2.gz	NLJQILPGWWRGOB-CQSZACIVSA-N	1	1	362.861	2.387	20	30		FEEDMO
N#Cc1cc(Br)cnc1N1CCC([N@H+]2CCCOCC2)CC1	ZINC000596267910	673372970	/nfs/dbraw/zinc/37/29/70/673372970.db2.gz	CHCCRAXNEGOZAH-UHFFFAOYSA-N	1	1	365.275	2.407	20	30		FEEDMO
N#Cc1c(Br)cccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1	ZINC000596541492	673392815	/nfs/dbraw/zinc/39/28/15/673392815.db2.gz	YECSKFNAXNWWDK-ZDUSSCGKSA-N	1	1	350.260	2.356	20	30		FEEDMO
C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H](S(=O)(=O)NC)C2)c1O	ZINC000733300183	673407683	/nfs/dbraw/zinc/40/76/83/673407683.db2.gz	KHRMALXTISOCCX-KRWDZBQOSA-N	1	1	368.499	2.033	20	30		FEEDMO
CCC[C@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)CC[N@@H+]1CCOC	ZINC000597459389	673479988	/nfs/dbraw/zinc/47/99/88/673479988.db2.gz	ZIRCGJBMQKUYEK-AWEZNQCLSA-N	1	1	351.397	2.409	20	30		FEEDMO
CCC[C@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)CC[N@H+]1CCOC	ZINC000597459389	673479990	/nfs/dbraw/zinc/47/99/90/673479990.db2.gz	ZIRCGJBMQKUYEK-AWEZNQCLSA-N	1	1	351.397	2.409	20	30		FEEDMO
C=C(Cl)CNC(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1	ZINC000736964653	673545411	/nfs/dbraw/zinc/54/54/11/673545411.db2.gz	LGRJMTMJXWCIEV-UHFFFAOYSA-N	1	1	350.850	2.338	20	30		FEEDMO
C[N@@H+](CC(=O)NC1(c2cccc(C#N)c2)CCOCC1)[C@@H]1CCSC1	ZINC000598250938	673552389	/nfs/dbraw/zinc/55/23/89/673552389.db2.gz	YFCISYRPARPPCP-QGZVFWFLSA-N	1	1	359.495	2.117	20	30		FEEDMO
Cc1c(Cl)cnc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1C#N	ZINC000542276976	673572317	/nfs/dbraw/zinc/57/23/17/673572317.db2.gz	IELKBJUTCCSTCS-UHFFFAOYSA-N	1	1	357.849	2.098	20	30		FEEDMO
C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@H](O)CC(C)(C)C#N	ZINC000598585919	673586812	/nfs/dbraw/zinc/58/68/12/673586812.db2.gz	BKBWILQEOVYCHD-OAHLLOKOSA-N	1	1	368.499	2.092	20	30		FEEDMO
C=C(Cl)CNC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000739089174	673628079	/nfs/dbraw/zinc/62/80/79/673628079.db2.gz	OPABZAUJVHITAZ-OKILXGFUSA-N	1	1	365.861	2.103	20	30		FEEDMO
C=C(Cl)CNC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000739089174	673628080	/nfs/dbraw/zinc/62/80/80/673628080.db2.gz	OPABZAUJVHITAZ-OKILXGFUSA-N	1	1	365.861	2.103	20	30		FEEDMO
C[C@@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1	ZINC000543585975	673654775	/nfs/dbraw/zinc/65/47/75/673654775.db2.gz	TXWNDMPINRSMLJ-WFASDCNBSA-N	1	1	354.376	2.022	20	30		FEEDMO
CO[C@]1(C(F)(F)F)CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599380857	673667065	/nfs/dbraw/zinc/66/70/65/673667065.db2.gz	ZTKGSGUCCXXTQT-UKRRQHHQSA-N	1	1	350.381	2.101	20	30		FEEDMO
CCC[C@]1(C(=O)OCC)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599386712	673667535	/nfs/dbraw/zinc/66/75/35/673667535.db2.gz	WNYUPPKXNODASW-QFBILLFUSA-N	1	1	352.475	2.256	20	30		FEEDMO
C=CCSCCNC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000543745906	673667890	/nfs/dbraw/zinc/66/78/90/673667890.db2.gz	SSMGODNPNIDTPF-AEFFLSMTSA-N	1	1	363.527	2.494	20	30		FEEDMO
C=CCSCCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000543745906	673667893	/nfs/dbraw/zinc/66/78/93/673667893.db2.gz	SSMGODNPNIDTPF-AEFFLSMTSA-N	1	1	363.527	2.494	20	30		FEEDMO
C[C@H]1CC(N=Nc2ccc(S(=O)(=O)NC3CCCC3)cn2)CC[N@H+]1C	ZINC000741460059	673687487	/nfs/dbraw/zinc/68/74/87/673687487.db2.gz	LAOHDHYUJVCAGQ-ZDUSSCGKSA-N	1	1	365.503	2.185	20	30		FEEDMO
CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1	ZINC000600214179	673749553	/nfs/dbraw/zinc/74/95/53/673749553.db2.gz	SPEZZQOAPOMXFF-KRWDZBQOSA-N	1	1	365.499	2.130	20	30		FEEDMO
C[C@@H]1C[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C[C@H](C)S1	ZINC000743377084	673757349	/nfs/dbraw/zinc/75/73/49/673757349.db2.gz	MWNAGQIPUMQHOE-OKILXGFUSA-N	1	1	358.467	2.106	20	30		FEEDMO
C[C@@H]1C[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C[C@H](C)S1	ZINC000743377084	673757350	/nfs/dbraw/zinc/75/73/50/673757350.db2.gz	MWNAGQIPUMQHOE-OKILXGFUSA-N	1	1	358.467	2.106	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C	ZINC000743866877	673774033	/nfs/dbraw/zinc/77/40/33/673774033.db2.gz	PBLPIPNENWDHHY-OAHLLOKOSA-N	1	1	352.479	2.080	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C	ZINC000743866877	673774035	/nfs/dbraw/zinc/77/40/35/673774035.db2.gz	PBLPIPNENWDHHY-OAHLLOKOSA-N	1	1	352.479	2.080	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)CC1([NH+](C)C)CC1	ZINC000601321619	673842502	/nfs/dbraw/zinc/84/25/02/673842502.db2.gz	PTRSPWZABAJIMF-UHFFFAOYSA-N	1	1	353.444	2.007	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2CC#N)[C@@H]1c1ccccc1	ZINC000601378605	673851912	/nfs/dbraw/zinc/85/19/12/673851912.db2.gz	CWGNYRBNTYOODS-HKUYNNGSSA-N	1	1	355.463	2.476	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)c2ccccc2CC#N)[C@@H]1c1ccccc1	ZINC000601378605	673851915	/nfs/dbraw/zinc/85/19/15/673851915.db2.gz	CWGNYRBNTYOODS-HKUYNNGSSA-N	1	1	355.463	2.476	20	30		FEEDMO
C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)CC1	ZINC000746503278	673882181	/nfs/dbraw/zinc/88/21/81/673882181.db2.gz	LAHAGHDUVPIQLC-GOSISDBHSA-N	1	1	359.901	2.124	20	30		FEEDMO
CC[N@H+]1CC[C@H]2OCCN(c3cc(C#N)c(Br)cn3)[C@H]2C1	ZINC000603385811	673928614	/nfs/dbraw/zinc/92/86/14/673928614.db2.gz	YJQAUBOCPALRGR-UONOGXRCSA-N	1	1	351.248	2.015	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C	ZINC000818593244	675226799	/nfs/dbraw/zinc/22/67/99/675226799.db2.gz	QVRCWDCHZYGTFL-LBPRGKRZSA-N	1	1	358.408	2.237	20	30		FEEDMO
C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1nc(-c2ccc(Cl)cc2)no1	ZINC000819124064	675262825	/nfs/dbraw/zinc/26/28/25/675262825.db2.gz	LCIMLUKAYUVWSX-IUODEOHRSA-N	1	1	363.849	2.247	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(C#N)cc1F	ZINC000567068933	675264764	/nfs/dbraw/zinc/26/47/64/675264764.db2.gz	DYXRJIRZPREJRY-UHFFFAOYSA-N	1	1	365.430	2.433	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000819527298	675296456	/nfs/dbraw/zinc/29/64/56/675296456.db2.gz	KSZIOBPRMKFGSP-HUUCEWRRSA-N	1	1	352.479	2.126	20	30		FEEDMO
C[C@@H](SC[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000567849094	675328960	/nfs/dbraw/zinc/32/89/60/675328960.db2.gz	LWDNKXLGXYEZMO-NEPJUHHUSA-N	1	1	365.524	2.499	20	30		FEEDMO
C[C@@H](SC[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000567849094	675328964	/nfs/dbraw/zinc/32/89/64/675328964.db2.gz	LWDNKXLGXYEZMO-NEPJUHHUSA-N	1	1	365.524	2.499	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(c2[nH]cc[nH+]2)CC1	ZINC000568166920	675355335	/nfs/dbraw/zinc/35/53/35/675355335.db2.gz	WZRVBBLOGSNNOI-OAHLLOKOSA-N	1	1	359.499	2.197	20	30		FEEDMO
C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC	ZINC000824296897	675593941	/nfs/dbraw/zinc/59/39/41/675593941.db2.gz	KTCZWWXODARHQB-NEPJUHHUSA-N	1	1	353.260	2.416	20	30		FEEDMO
C#C[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC	ZINC000824296897	675593943	/nfs/dbraw/zinc/59/39/43/675593943.db2.gz	KTCZWWXODARHQB-NEPJUHHUSA-N	1	1	353.260	2.416	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1	ZINC000824763811	675620811	/nfs/dbraw/zinc/62/08/11/675620811.db2.gz	FWEDGNOIQGBGGY-INIZCTEOSA-N	1	1	362.495	2.086	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1	ZINC000824763811	675620813	/nfs/dbraw/zinc/62/08/13/675620813.db2.gz	FWEDGNOIQGBGGY-INIZCTEOSA-N	1	1	362.495	2.086	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)C#Cc2cccs2)c2cccs2)CC1	ZINC000825888260	675672930	/nfs/dbraw/zinc/67/29/30/675672930.db2.gz	VSXFHZGTNLKXAD-MRXNPFEDSA-N	1	1	359.520	2.266	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CC[C@@H]21	ZINC000827234084	675742099	/nfs/dbraw/zinc/74/20/99/675742099.db2.gz	WNNRFLZDMPJGFA-CJNGLKHVSA-N	1	1	362.271	2.416	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1	ZINC000603840831	675801491	/nfs/dbraw/zinc/80/14/91/675801491.db2.gz	ZEBCWJBVTPSMQD-GDBMZVCRSA-N	1	1	358.360	2.341	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(S(C)(=O)=O)oc1C)C(C)C	ZINC000625556687	676657059	/nfs/dbraw/zinc/65/70/59/676657059.db2.gz	IYDSQNBJQKMSGU-INIZCTEOSA-N	1	1	368.499	2.420	20	30		FEEDMO
C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)CC1(O)CCOCC1	ZINC000639643661	677162922	/nfs/dbraw/zinc/16/29/22/677162922.db2.gz	LYSPLAOWTGJUPJ-SFHVURJKSA-N	1	1	351.491	2.135	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCS[C@@H](CC)C1	ZINC000669033914	679216274	/nfs/dbraw/zinc/21/62/74/679216274.db2.gz	CMDVLIAOIDCSEU-PMPSAXMXSA-N	1	1	363.531	2.332	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[N@H+](CC)[C@H](C)C1	ZINC000670230170	679276647	/nfs/dbraw/zinc/27/66/47/679276647.db2.gz	LSTLNWWDRFHXOR-CVEARBPZSA-N	1	1	351.495	2.109	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCOCC2)C1	ZINC001008806997	679961309	/nfs/dbraw/zinc/96/13/09/679961309.db2.gz	BRHMVAGIQKNMPM-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
COC(=O)C1(C#N)CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1	ZINC000831691780	680026273	/nfs/dbraw/zinc/02/62/73/680026273.db2.gz	VOJNPLZESHIGAK-AWEZNQCLSA-N	1	1	367.243	2.261	20	30		FEEDMO
C[C@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)[NH+]1CCSCC1	ZINC000750891273	680138623	/nfs/dbraw/zinc/13/86/23/680138623.db2.gz	YZRPPEBDIDLLEK-OAHLLOKOSA-N	1	1	358.511	2.081	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2ccccc2C#N)CC1	ZINC000751015049	680148029	/nfs/dbraw/zinc/14/80/29/680148029.db2.gz	QYOZXLPBNBMISD-QGZVFWFLSA-N	1	1	357.527	2.039	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OC[C@H]2CCCO2)CC1	ZINC000751492511	680182816	/nfs/dbraw/zinc/18/28/16/680182816.db2.gz	CKPYTOOPIARWTO-SUMDDJOVSA-N	1	1	351.491	2.089	20	30		FEEDMO
C=C(Br)CN1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1	ZINC000981780579	680251519	/nfs/dbraw/zinc/25/15/19/680251519.db2.gz	MRNWEFWAIDMYFV-HUUCEWRRSA-N	1	1	370.335	2.160	20	30		FEEDMO
Brc1ccc2ncc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)n2c1	ZINC000753940198	680325365	/nfs/dbraw/zinc/32/53/65/680325365.db2.gz	RZYSUXZREMCAGO-STQMWFEESA-N	1	1	361.247	2.291	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2cnns2)CC1	ZINC000997590311	680359857	/nfs/dbraw/zinc/35/98/57/680359857.db2.gz	XKQURXOZGDZOQR-XKQJLSEDSA-N	1	1	364.515	2.236	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1	ZINC000998005088	680371270	/nfs/dbraw/zinc/37/12/70/680371270.db2.gz	FVYDRQDXPFLNCX-FVQBIDKESA-N	1	1	355.910	2.357	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1C[NH+](CCOc2ccccc2Cl)C1	ZINC001031988921	680410515	/nfs/dbraw/zinc/41/05/15/680410515.db2.gz	SFJCSCZSSMVYJT-WBVHZDCISA-N	1	1	364.873	2.358	20	30		FEEDMO
CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1	ZINC001033279777	680421384	/nfs/dbraw/zinc/42/13/84/680421384.db2.gz	RXWYLBKFHVDYBI-DFEHZGFQSA-N	1	1	359.495	2.468	20	30		FEEDMO
CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC001033279777	680421386	/nfs/dbraw/zinc/42/13/86/680421386.db2.gz	RXWYLBKFHVDYBI-DFEHZGFQSA-N	1	1	359.495	2.468	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1	ZINC001034753633	680439553	/nfs/dbraw/zinc/43/95/53/680439553.db2.gz	PFXYYUOGNWEUHV-OTRWWLKZSA-N	1	1	364.515	2.426	20	30		FEEDMO
N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)s1	ZINC001034962151	680441716	/nfs/dbraw/zinc/44/17/16/680441716.db2.gz	ADIZTCLPAZVLQU-DAXOMENPSA-N	1	1	355.467	2.227	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nn(C)cc1Cl	ZINC001035076456	680443467	/nfs/dbraw/zinc/44/34/67/680443467.db2.gz	FJPRPSOYNYXZER-KEYYUXOJSA-N	1	1	366.893	2.135	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCC2CCCCC2)CCO1	ZINC001035515376	680449383	/nfs/dbraw/zinc/44/93/83/680449383.db2.gz	FSSQTFHBPFBZTO-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1ccns1	ZINC001039922900	680467086	/nfs/dbraw/zinc/46/70/86/680467086.db2.gz	JPVJDGVKFUOWNA-ATLSCFEFSA-N	1	1	361.511	2.342	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccns1	ZINC001039922900	680467090	/nfs/dbraw/zinc/46/70/90/680467090.db2.gz	JPVJDGVKFUOWNA-ATLSCFEFSA-N	1	1	361.511	2.342	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](C)OC	ZINC001039941444	680468009	/nfs/dbraw/zinc/46/80/09/680468009.db2.gz	SAZIGLMKVXJSAM-GFEQUFNTSA-N	1	1	350.503	2.458	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2	ZINC001001701115	680472752	/nfs/dbraw/zinc/47/27/52/680472752.db2.gz	WZWKNCFYKGVIEC-APIJFGDWSA-N	1	1	353.894	2.107	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C#C)c1ccc(Br)cc1	ZINC000836491458	680476853	/nfs/dbraw/zinc/47/68/53/680476853.db2.gz	SBROPDUBJPHPHV-INIZCTEOSA-N	1	1	362.271	2.378	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(OCC)c1OC(F)F	ZINC000756980795	680509077	/nfs/dbraw/zinc/50/90/77/680509077.db2.gz	YVISMOZZCCRBBZ-AWEZNQCLSA-N	1	1	352.381	2.401	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(OCC)c1OC(F)F	ZINC000756980795	680509081	/nfs/dbraw/zinc/50/90/81/680509081.db2.gz	YVISMOZZCCRBBZ-AWEZNQCLSA-N	1	1	352.381	2.401	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N(C)C2CN(CC#Cc3ccc(Cl)cc3)C2)CC[N@H+]1C	ZINC001042744838	680541338	/nfs/dbraw/zinc/54/13/38/680541338.db2.gz	ACEQQBGKZLUFNW-DNVCBOLYSA-N	1	1	359.901	2.174	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1	ZINC001004456807	680556425	/nfs/dbraw/zinc/55/64/25/680556425.db2.gz	IFYRNWYIYYFIBH-XIRDDKMYSA-N	1	1	356.894	2.246	20	30		FEEDMO
CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)C1	ZINC001046038000	680642997	/nfs/dbraw/zinc/64/29/97/680642997.db2.gz	FLGPRALGOMZTLA-CEXWTWQISA-N	1	1	357.523	2.093	20	30		FEEDMO
CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1	ZINC001046955550	680654097	/nfs/dbraw/zinc/65/40/97/680654097.db2.gz	CRZUUCXTTBKDOF-YESZJQIVSA-N	1	1	354.441	2.146	20	30		FEEDMO
CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1	ZINC001046955550	680654100	/nfs/dbraw/zinc/65/41/00/680654100.db2.gz	CRZUUCXTTBKDOF-YESZJQIVSA-N	1	1	354.441	2.146	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)c1ccc(Cl)c(F)c1	ZINC000759853409	680669960	/nfs/dbraw/zinc/66/99/60/680669960.db2.gz	UDKCUZBHRNMLTI-OAHLLOKOSA-N	1	1	351.813	2.254	20	30		FEEDMO
C=CCCCCCCCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1	ZINC000841904469	680917008	/nfs/dbraw/zinc/91/70/08/680917008.db2.gz	NWHGVNMSQWOAPI-QGZVFWFLSA-N	1	1	350.507	2.119	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2snnc2C)CC1	ZINC001052786313	681086321	/nfs/dbraw/zinc/08/63/21/681086321.db2.gz	UADLSYSIDZCTKS-ZOBUZTSGSA-N	1	1	364.515	2.298	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1	ZINC000772547831	681102484	/nfs/dbraw/zinc/10/24/84/681102484.db2.gz	SNJGAXVBDWHBFY-DLBZAZTESA-N	1	1	350.821	2.477	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1	ZINC000772547831	681102485	/nfs/dbraw/zinc/10/24/85/681102485.db2.gz	SNJGAXVBDWHBFY-DLBZAZTESA-N	1	1	350.821	2.477	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNc1nc(Cl)c(C#N)s1	ZINC001053653819	681102637	/nfs/dbraw/zinc/10/26/37/681102637.db2.gz	ZSHSTQMUYOPHQA-IJLUTSLNSA-N	1	1	367.906	2.269	20	30		FEEDMO
C[N@H+](Cc1cnc(N2CCOCC2)s1)C[C@@H](O)c1cccc(C#N)c1	ZINC000846006904	681172640	/nfs/dbraw/zinc/17/26/40/681172640.db2.gz	LFBCYVPLUIAKLB-QGZVFWFLSA-N	1	1	358.467	2.017	20	30		FEEDMO
[NH3+]CC(F)(F)CC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1	ZINC000846667002	681274172	/nfs/dbraw/zinc/27/41/72/681274172.db2.gz	KHSAMYRZBWBUBQ-UHFFFAOYSA-N	1	1	373.272	2.015	20	30		FEEDMO
FC1(F)[C@H]2C[NH+](CCc3c[nH]nn3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F	ZINC000932941914	681331908	/nfs/dbraw/zinc/33/19/08/681331908.db2.gz	DUEVILIGMITNQS-YUMQZZPRSA-N	1	1	364.240	2.450	20	30		FEEDMO
FC1(F)[C@@H]2C[NH+](CCc3c[nH]nn3)C[C@H]2C(F)(F)C(F)(F)C1(F)F	ZINC000932941908	681332048	/nfs/dbraw/zinc/33/20/48/681332048.db2.gz	DUEVILIGMITNQS-HTQZYQBOSA-N	1	1	364.240	2.450	20	30		FEEDMO
O=C1NCCC[C@H]1[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932948680	681334149	/nfs/dbraw/zinc/33/41/49/681334149.db2.gz	LVGOCKPWQUVQAA-GJMOJQLCSA-N	1	1	366.252	2.368	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)[C@H]1CCCO1	ZINC000775792074	681335604	/nfs/dbraw/zinc/33/56/04/681335604.db2.gz	PVKFEJOXEUNXIM-ZIAGYGMSSA-N	1	1	364.467	2.251	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@H](OC)c2ccccc2Br)CC1	ZINC000847415686	681376003	/nfs/dbraw/zinc/37/60/03/681376003.db2.gz	DIVAQSAUTWEJGF-MRXNPFEDSA-N	1	1	365.271	2.304	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cncc(Br)c2C)C1	ZINC000934279615	681544350	/nfs/dbraw/zinc/54/43/50/681544350.db2.gz	ZXORGXVKPRRYGM-GFCCVEGCSA-N	1	1	351.248	2.372	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cncc(Br)c2C)C1	ZINC000934279615	681544353	/nfs/dbraw/zinc/54/43/53/681544353.db2.gz	ZXORGXVKPRRYGM-GFCCVEGCSA-N	1	1	351.248	2.372	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCC[C@H]1CC)CCO2	ZINC000949115077	681618437	/nfs/dbraw/zinc/61/84/37/681618437.db2.gz	RMVRIWMVJINAHP-CVEARBPZSA-N	1	1	356.894	2.247	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@H](C)N1CC(F)(F)F	ZINC000934790641	681634947	/nfs/dbraw/zinc/63/49/47/681634947.db2.gz	DEOFSOXLMXLREY-QLFBSQMISA-N	1	1	363.424	2.015	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC	ZINC000950256087	681681088	/nfs/dbraw/zinc/68/10/88/681681088.db2.gz	SSPKIAQIDVWSSF-SOUVJXGZSA-N	1	1	355.910	2.213	20	30		FEEDMO
O=S1(=O)CCC(=NNc2cc[nH+]cc2)c2cc(Br)ccc21	ZINC000779809223	681755033	/nfs/dbraw/zinc/75/50/33/681755033.db2.gz	UYUWPWNRDVGXNO-UHFFFAOYSA-N	1	1	366.240	2.260	20	30		FEEDMO
Clc1cc(C=NNc2cc[nH+]cc2)ccc1OCCN1CCOCC1	ZINC000779807417	681755274	/nfs/dbraw/zinc/75/52/74/681755274.db2.gz	WLYWRPAQNAZGFE-UHFFFAOYSA-N	1	1	360.845	2.314	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC000938573472	681941660	/nfs/dbraw/zinc/94/16/60/681941660.db2.gz	GLQAVNIWAWCXMA-VHDGCEQUSA-N	1	1	355.910	2.165	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC000938573471	681941710	/nfs/dbraw/zinc/94/17/10/681941710.db2.gz	GLQAVNIWAWCXMA-BPLDGKMQSA-N	1	1	355.910	2.165	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1	ZINC000939336284	681978131	/nfs/dbraw/zinc/97/81/31/681978131.db2.gz	ONCDROJHWSGDFA-BFJAYTPKSA-N	1	1	369.937	2.459	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOC2CCC2)CC1(C)C	ZINC000941040209	682096707	/nfs/dbraw/zinc/09/67/07/682096707.db2.gz	XHHJPJAYHKALSP-SQNIBIBYSA-N	1	1	350.503	2.363	20	30		FEEDMO
C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21	ZINC000961809692	682099779	/nfs/dbraw/zinc/09/97/79/682099779.db2.gz	REFXVTAQLRDTAO-UVMNYOIOSA-N	1	1	358.869	2.163	20	30		FEEDMO
C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)C[C@H]21	ZINC000961809692	682099787	/nfs/dbraw/zinc/09/97/87/682099787.db2.gz	REFXVTAQLRDTAO-UVMNYOIOSA-N	1	1	358.869	2.163	20	30		FEEDMO
C[C@H](NC(=O)[C@]12C[C@H]1COC2)C1C[NH+](CC#Cc2cccc(Cl)c2)C1	ZINC000969713096	682274131	/nfs/dbraw/zinc/27/41/31/682274131.db2.gz	IIOXXWDWCOGOJZ-VHFSOBRXSA-N	1	1	358.869	2.165	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](N2CCOC2=O)C1	ZINC000852435790	682278478	/nfs/dbraw/zinc/27/84/78/682278478.db2.gz	BEPZPBMXNACAGC-GJZGRUSLSA-N	1	1	363.483	2.178	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](N2CCOC2=O)C1	ZINC000852435790	682278479	/nfs/dbraw/zinc/27/84/79/682278479.db2.gz	BEPZPBMXNACAGC-GJZGRUSLSA-N	1	1	363.483	2.178	20	30		FEEDMO
C#C[C@H](NC(=O)N1CC[NH+](CCc2cccs2)CC1)C1CCOCC1	ZINC000852646960	682312617	/nfs/dbraw/zinc/31/26/17/682312617.db2.gz	MJYORGWDABPOHN-SFHVURJKSA-N	1	1	361.511	2.046	20	30		FEEDMO
Cc1cc(CN2CCSCC2)ccc1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852862806	682351285	/nfs/dbraw/zinc/35/12/85/682351285.db2.gz	HFZLFYFCWAAJSC-UHFFFAOYSA-N	1	1	357.523	2.485	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1	ZINC000971965940	682383515	/nfs/dbraw/zinc/38/35/15/682383515.db2.gz	IMHWKVPEPIHYQS-DFEHZGFQSA-N	1	1	359.495	2.468	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(C(F)(F)Br)nc1	ZINC000854663716	682577074	/nfs/dbraw/zinc/57/70/74/682577074.db2.gz	DLLPOHZVTMOFET-UHFFFAOYSA-N	1	1	360.202	2.211	20	30		FEEDMO
CN(C)c1[nH+]cc(CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)n1C	ZINC000790637476	682690295	/nfs/dbraw/zinc/69/02/95/682690295.db2.gz	RSXLYWKTGSTSHV-UHFFFAOYSA-N	1	1	350.344	2.173	20	30		FEEDMO
C=CCNc1ncc(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)s1	ZINC000792040111	682783367	/nfs/dbraw/zinc/78/33/67/682783367.db2.gz	QZHMCZQVRITDIL-UHFFFAOYSA-N	1	1	352.504	2.314	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1	ZINC000858493475	682972997	/nfs/dbraw/zinc/97/29/97/682972997.db2.gz	VZJBUEVVTZZKAO-HNNXBMFYSA-N	1	1	366.868	2.312	20	30		FEEDMO
C#C[C@H]([NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1)[C@@H]1CCCO1	ZINC000795815841	683095107	/nfs/dbraw/zinc/09/51/07/683095107.db2.gz	BGQQWWVTJRTICV-PMPSAXMXSA-N	1	1	370.902	2.470	20	30		FEEDMO
CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1	ZINC000861354452	683396508	/nfs/dbraw/zinc/39/65/08/683396508.db2.gz	VRDNVYBCULYDKB-IUODEOHRSA-N	1	1	357.332	2.238	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)C1=O	ZINC000799358875	683448323	/nfs/dbraw/zinc/44/83/23/683448323.db2.gz	OGAFAKJKMJXFBT-HOTGVXAUSA-N	1	1	351.491	2.400	20	30		FEEDMO
C#CC[NH+]1CCC(NS(=O)(=O)c2ccc3sc(Cl)nc3c2)CC1	ZINC000921436988	683467606	/nfs/dbraw/zinc/46/76/06/683467606.db2.gz	JLZPBLGTEGEKAG-UHFFFAOYSA-N	1	1	369.899	2.326	20	30		FEEDMO
C=C(C)Cn1c(SCC(=O)NC[C@H]2CC[N@H+]2C)nnc1-c1ccco1	ZINC000928558372	683471616	/nfs/dbraw/zinc/47/16/16/683471616.db2.gz	BWRNMMYSRYWZRC-CYBMUJFWSA-N	1	1	361.471	2.027	20	30		FEEDMO
C=C(C)Cn1c(SCC(=O)NC[C@H]2CC[N@@H+]2C)nnc1-c1ccco1	ZINC000928558372	683471618	/nfs/dbraw/zinc/47/16/18/683471618.db2.gz	BWRNMMYSRYWZRC-CYBMUJFWSA-N	1	1	361.471	2.027	20	30		FEEDMO
C#CC[NH+]1CCC(NC(=O)CSCC(=O)c2ccc(Cl)cc2)CC1	ZINC000928658031	683483011	/nfs/dbraw/zinc/48/30/11/683483011.db2.gz	JOEBVDCCLXMITA-UHFFFAOYSA-N	1	1	364.898	2.470	20	30		FEEDMO
N#Cc1ccc(Br)c(CNC[C@@H]2CCCC[N@H+]2CCO)c1	ZINC000922153498	683670974	/nfs/dbraw/zinc/67/09/74/683670974.db2.gz	CTTVTEKGQIQBPY-HNNXBMFYSA-N	1	1	352.276	2.257	20	30		FEEDMO
N#Cc1ccc(Br)c(CNC[C@@H]2CCCC[N@@H+]2CCO)c1	ZINC000922153498	683670978	/nfs/dbraw/zinc/67/09/78/683670978.db2.gz	CTTVTEKGQIQBPY-HNNXBMFYSA-N	1	1	352.276	2.257	20	30		FEEDMO
CC(C)NS(=O)(=O)c1ccc(N=NC2CC[N@@H+](C)C(C)(C)C2)nc1	ZINC000863078898	683676459	/nfs/dbraw/zinc/67/64/59/683676459.db2.gz	PGSHUYVCZXSWNU-UHFFFAOYSA-N	1	1	353.492	2.040	20	30		FEEDMO
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000930827524	683789684	/nfs/dbraw/zinc/78/96/84/683789684.db2.gz	DRNSUWYQOFOWHB-WCXIOVBPSA-N	1	1	350.507	2.408	20	30		FEEDMO
C=C(Cl)C[C@@H]1NC(=O)N([C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)C1=O	ZINC000865304424	683965051	/nfs/dbraw/zinc/96/50/51/683965051.db2.gz	VBKZHLNBWMMJGK-QEJZJMRPSA-N	1	1	357.882	2.186	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)C1	ZINC000866903280	684177842	/nfs/dbraw/zinc/17/78/42/684177842.db2.gz	JSBYQUKKVBJIIG-AWEZNQCLSA-N	1	1	351.447	2.050	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C(F)(F)Br)nc2)C1	ZINC000923554799	684305185	/nfs/dbraw/zinc/30/51/85/684305185.db2.gz	PKUHCKBXVIUSEG-LBPRGKRZSA-N	1	1	372.213	2.353	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(F)(F)Br)nc2)C1	ZINC000923554799	684305194	/nfs/dbraw/zinc/30/51/94/684305194.db2.gz	PKUHCKBXVIUSEG-LBPRGKRZSA-N	1	1	372.213	2.353	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)Nc1nnc(-c2ccccc2OC)s1	ZINC000931603064	684311141	/nfs/dbraw/zinc/31/11/41/684311141.db2.gz	LKFUXZLSZIAVET-UHFFFAOYSA-N	1	1	359.455	2.290	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)[C@H](N)c2cccc(Br)c2)CC1	ZINC000870883065	684766179	/nfs/dbraw/zinc/76/61/79/684766179.db2.gz	LFGOSXVTTQTVSC-OAHLLOKOSA-N	1	1	352.276	2.216	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(OCC(=O)N(C)C)cc2)no1	ZINC000872177101	684924520	/nfs/dbraw/zinc/92/45/20/684924520.db2.gz	BDEJXBUHEHFOEJ-ZDUSSCGKSA-N	1	1	350.806	2.346	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C1CCC(S(C)(=O)=O)CC1)C(C)C	ZINC000878190803	686538436	/nfs/dbraw/zinc/53/84/36/686538436.db2.gz	QLNVQLBZOBILHF-ABHNRTSZSA-N	1	1	370.559	2.405	20	30		FEEDMO
C[C@@H]1C[N@H+](CCOCCC#N)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1	ZINC000880219437	687017856	/nfs/dbraw/zinc/01/78/56/687017856.db2.gz	NNYURPJSZUQQPL-QAPCUYQASA-N	1	1	353.463	2.017	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCOCCC#N)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1	ZINC000880219437	687017861	/nfs/dbraw/zinc/01/78/61/687017861.db2.gz	NNYURPJSZUQQPL-QAPCUYQASA-N	1	1	353.463	2.017	20	30		FEEDMO
CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000880430396	687047627	/nfs/dbraw/zinc/04/76/27/687047627.db2.gz	MFUHJLKQXHUCIA-JKSUJKDBSA-N	1	1	351.834	2.276	20	30		FEEDMO
C=CCCS(=O)(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2	ZINC000882789948	687491202	/nfs/dbraw/zinc/49/12/02/687491202.db2.gz	JLVXJEXEBKBKDE-IEBWSBKVSA-N	1	1	364.511	2.258	20	30		FEEDMO
C=CCCS(=O)(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2	ZINC000882789948	687491206	/nfs/dbraw/zinc/49/12/06/687491206.db2.gz	JLVXJEXEBKBKDE-IEBWSBKVSA-N	1	1	364.511	2.258	20	30		FEEDMO
N#Cc1nc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Br	ZINC000883080002	687558830	/nfs/dbraw/zinc/55/88/30/687558830.db2.gz	MWUWIUGBYVVAEY-MNOVXSKESA-N	1	1	364.247	2.464	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883103294	687565424	/nfs/dbraw/zinc/56/54/24/687565424.db2.gz	QPNRGUUTONCDEO-UHFFFAOYSA-N	1	1	352.236	2.274	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)C1	ZINC000884256221	687830925	/nfs/dbraw/zinc/83/09/25/687830925.db2.gz	WFHBGENCBQHGOE-RHSMWYFYSA-N	1	1	351.397	2.049	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)C1	ZINC000884256221	687830931	/nfs/dbraw/zinc/83/09/31/687830931.db2.gz	WFHBGENCBQHGOE-RHSMWYFYSA-N	1	1	351.397	2.049	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C(F)(F)F	ZINC000884951630	687972496	/nfs/dbraw/zinc/97/24/96/687972496.db2.gz	GUZQBHUWZDYTJA-QWHCGFSZSA-N	1	1	373.400	2.482	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1C(F)(F)F	ZINC000884957415	687974769	/nfs/dbraw/zinc/97/47/69/687974769.db2.gz	PXNFSOQLJDTRKR-OLZOCXBDSA-N	1	1	373.400	2.482	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC[C@H]1F	ZINC000886287331	688225310	/nfs/dbraw/zinc/22/53/10/688225310.db2.gz	PEPPSNGTGJPNMN-RBSFLKMASA-N	1	1	355.454	2.368	20	30		FEEDMO
C#CC[C@H]1CC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2SC)C1	ZINC000886356030	688235487	/nfs/dbraw/zinc/23/54/87/688235487.db2.gz	SCKYDXKXWWCQDN-HNNXBMFYSA-N	1	1	359.495	2.151	20	30		FEEDMO
C=CCC1(O)CC[NH+](CC(=O)NCCCOc2ccccc2F)CC1	ZINC000886766758	688304526	/nfs/dbraw/zinc/30/45/26/688304526.db2.gz	QYXOVPSTMBHPRN-UHFFFAOYSA-N	1	1	350.434	2.114	20	30		FEEDMO
C#CCSCC(=O)Nc1ccc(OCCC[NH+]2CCN(C)CC2)cc1	ZINC000892377325	689188265	/nfs/dbraw/zinc/18/82/65/689188265.db2.gz	IHDVBFSOOOTMQG-UHFFFAOYSA-N	1	1	361.511	2.008	20	30		FEEDMO
C[C@]1(C#N)CN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCO1	ZINC000892512371	689206979	/nfs/dbraw/zinc/20/69/79/689206979.db2.gz	RFUVKWQVDPWTNM-YJBOKZPZSA-N	1	1	362.499	2.284	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)NCc2nc(C#N)cs2)C[N@H+]1Cc1ccccc1	ZINC000893621237	689376616	/nfs/dbraw/zinc/37/66/16/689376616.db2.gz	LCGRGXJYQIRYCM-UKRRQHHQSA-N	1	1	355.467	2.477	20	30		FEEDMO
CC(=O)N(c1nc(C[NH2+]CCNc2ccc(C#N)cn2)cs1)C1CC1	ZINC000897398716	690016647	/nfs/dbraw/zinc/01/66/47/690016647.db2.gz	NXIVSLYTIFEUBM-UHFFFAOYSA-N	1	1	356.455	2.127	20	30		FEEDMO
C[N@@H+](CC(=O)NCC(F)(C(F)(F)F)C(F)(F)F)[C@@H]1CCSC1	ZINC000899097197	690303257	/nfs/dbraw/zinc/30/32/57/690303257.db2.gz	OVUCSAFMNWNATK-SSDOTTSWSA-N	1	1	356.307	2.373	20	30		FEEDMO
C[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1cc(C#N)ccn1	ZINC000902989901	690827965	/nfs/dbraw/zinc/82/79/65/690827965.db2.gz	NNVMIMFTYHCHLB-ZBFHGGJFSA-N	1	1	356.451	2.067	20	30		FEEDMO
C#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cc1	ZINC000906948058	691351731	/nfs/dbraw/zinc/35/17/31/691351731.db2.gz	RBVQHSKVZONUGU-QFBILLFUSA-N	1	1	364.511	2.083	20	30		FEEDMO
Cc1ccc(C[N@@H+]2CC[C@H](CN(C)S(=O)(=O)CC3(C#N)CC3)C2)s1	ZINC000907344839	691457825	/nfs/dbraw/zinc/45/78/25/691457825.db2.gz	GKHCTWGJOCWXBB-OAHLLOKOSA-N	1	1	367.540	2.444	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@@H]21	ZINC001164668966	719482166	/nfs/dbraw/zinc/48/21/66/719482166.db2.gz	RUBVNNYFOPXPDX-JKSUJKDBSA-N	1	1	371.828	2.313	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3[nH]cc(C#N)c31)C2	ZINC001164806444	720068799	/nfs/dbraw/zinc/06/87/99/720068799.db2.gz	CWKBRTPNZSWADL-UZLBHIALSA-N	1	1	366.469	2.014	20	30		FEEDMO
C=CCNC(=O)c1cccnc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164732048	720436819	/nfs/dbraw/zinc/43/68/19/720436819.db2.gz	MWZSBYKIXZFSPI-OALUTQOASA-N	1	1	363.465	2.246	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)cc(C)c3C#N)CC[C@H]2C1	ZINC001164853264	720835203	/nfs/dbraw/zinc/83/52/03/720835203.db2.gz	NRBICQFHCSVNLF-HOCLYGCPSA-N	1	1	364.877	2.089	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nccc4ccc(C#N)cc43)CC[C@@H]2C1	ZINC001164850145	720849432	/nfs/dbraw/zinc/84/94/32/720849432.db2.gz	DMNDERRXXJBIEQ-UYAOXDASSA-N	1	1	366.465	2.280	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3cc(C#N)c4ccccc4n3)CC[C@@H]2C1	ZINC001164861780	720874663	/nfs/dbraw/zinc/87/46/63/720874663.db2.gz	QFVNZQMSECEMHY-UZLBHIALSA-N	1	1	366.465	2.280	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3nc4c(cc3C#N)CCCC4)CC[C@H]2C1	ZINC001164863758	720874819	/nfs/dbraw/zinc/87/48/19/720874819.db2.gz	UDPSRJJHPXKTGK-PXNSSMCTSA-N	1	1	370.497	2.006	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1C#N)[C@@H]2C	ZINC001164856192	720950286	/nfs/dbraw/zinc/95/02/86/720950286.db2.gz	CHYMADBVLBSPRA-CYBMUJFWSA-N	1	1	369.429	2.479	20	30		FEEDMO
N#Cc1c[nH]c2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ccc12	ZINC001164866368	721099466	/nfs/dbraw/zinc/09/94/66/721099466.db2.gz	STAWTYBLMWUONA-ROUUACIJSA-N	1	1	374.448	2.309	20	30		FEEDMO
Cc1nc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1C#N	ZINC001164771358	721137498	/nfs/dbraw/zinc/13/74/98/721137498.db2.gz	SGXOSKOJZPOGRO-CABCVRRESA-N	1	1	371.876	2.002	20	30		FEEDMO
N#Cc1cc(Cl)nnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164900136	721521857	/nfs/dbraw/zinc/52/18/57/721521857.db2.gz	OKJFWLDZFXKQOB-GOEBONIOSA-N	1	1	373.819	2.483	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)cc(Cl)c1C#N	ZINC001164932884	721887540	/nfs/dbraw/zinc/88/75/40/721887540.db2.gz	KEIMEBYVBHIQJO-KGLIPLIRSA-N	1	1	354.285	2.475	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc(Cl)cc(Cl)c1C#N	ZINC001164932884	721887541	/nfs/dbraw/zinc/88/75/41/721887541.db2.gz	KEIMEBYVBHIQJO-KGLIPLIRSA-N	1	1	354.285	2.475	20	30		FEEDMO
Cc1cc(NC(=O)CC[NH+]2CCN(c3ccc(C#N)cc3F)CC2)no1	ZINC000507183022	888152856	/nfs/dbraw/zinc/15/28/56/888152856.db2.gz	WUMMPGWKPCCVAV-UHFFFAOYSA-N	1	1	357.389	2.145	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1	ZINC000800476112	674056149	/nfs/dbraw/zinc/05/61/49/674056149.db2.gz	HYPHVKSQPBDCEZ-UHFFFAOYSA-N	1	1	371.225	2.437	20	30		FEEDMO
COC(=O)c1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc1	ZINC000026320733	539782721	/nfs/dbraw/zinc/78/27/21/539782721.db2.gz	ZRLMPQVNDLMANS-GOSISDBHSA-N	1	1	354.406	2.217	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1	ZINC000028708678	539836024	/nfs/dbraw/zinc/83/60/24/539836024.db2.gz	VDNIQBSECQCGIX-NRFANRHFSA-N	1	1	360.461	2.481	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(NC(=O)COc3ccccc3C#N)cc2)CC1	ZINC000041577001	540025478	/nfs/dbraw/zinc/02/54/78/540025478.db2.gz	HYECAMQXPNLPBG-UHFFFAOYSA-N	1	1	364.449	2.323	20	30		FEEDMO
COC(=O)c1ccnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000042632379	540071236	/nfs/dbraw/zinc/07/12/36/540071236.db2.gz	NIEVNSFZOQDZCJ-UHFFFAOYSA-N	1	1	350.422	2.452	20	30		FEEDMO
C#C[C@H](C)[N@H+](C)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC	ZINC000824296899	675593934	/nfs/dbraw/zinc/59/39/34/675593934.db2.gz	KTCZWWXODARHQB-RYUDHWBXSA-N	1	1	353.260	2.416	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)CCCCC1	ZINC000051557672	540437951	/nfs/dbraw/zinc/43/79/51/540437951.db2.gz	YDBZQXMMYPHUAM-KRWDZBQOSA-N	1	1	360.502	2.054	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000054939536	540618025	/nfs/dbraw/zinc/61/80/25/540618025.db2.gz	IMXRPHPKWBRCST-BEFAXECRSA-N	1	1	362.433	2.448	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000057677621	540807827	/nfs/dbraw/zinc/80/78/27/540807827.db2.gz	DCHSJRJEJMOOMZ-IJEWVQPXSA-N	1	1	356.470	2.288	20	30		FEEDMO
COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C	ZINC000058397066	540841873	/nfs/dbraw/zinc/84/18/73/540841873.db2.gz	LYWMUSIVOWUISU-GOSISDBHSA-N	1	1	359.470	2.473	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064632986	541213406	/nfs/dbraw/zinc/21/34/06/541213406.db2.gz	MWDLISHKAKUIJU-KRWDZBQOSA-N	1	1	353.470	2.054	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064632986	541213410	/nfs/dbraw/zinc/21/34/10/541213410.db2.gz	MWDLISHKAKUIJU-KRWDZBQOSA-N	1	1	353.470	2.054	20	30		FEEDMO
C[N@@H+](CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CCCCC1	ZINC000066241113	541294684	/nfs/dbraw/zinc/29/46/84/541294684.db2.gz	ZCVFCUNWCKAWIF-UHFFFAOYSA-N	1	1	366.469	2.320	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000067387546	541453330	/nfs/dbraw/zinc/45/33/30/541453330.db2.gz	QAMSJPCJRPOOHB-UHFFFAOYSA-N	1	1	367.409	2.453	20	30		FEEDMO
CCCC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1	ZINC000067399959	541457540	/nfs/dbraw/zinc/45/75/40/541457540.db2.gz	DMDMNCILZPUDRE-INIZCTEOSA-N	1	1	363.483	2.176	20	30		FEEDMO
Cc1cccc(OC[C@H](O)C[N@H+]2CCCN(c3ncccc3C#N)CC2)c1	ZINC000067460047	541467092	/nfs/dbraw/zinc/46/70/92/541467092.db2.gz	UIVMVXDBVXOYSA-LJQANCHMSA-N	1	1	366.465	2.214	20	30		FEEDMO
CCN(CC(=O)NC(C)C)C(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C	ZINC000069520562	541693325	/nfs/dbraw/zinc/69/33/25/541693325.db2.gz	JFLMBGPSKABXKW-UHFFFAOYSA-N	1	1	358.486	2.142	20	30		FEEDMO
CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C	ZINC000069520562	541693327	/nfs/dbraw/zinc/69/33/27/541693327.db2.gz	JFLMBGPSKABXKW-UHFFFAOYSA-N	1	1	358.486	2.142	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1	ZINC000072831962	541875625	/nfs/dbraw/zinc/87/56/25/541875625.db2.gz	YMMMDAOSWPSXHW-DNVCBOLYSA-N	1	1	361.511	2.253	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1CC	ZINC000072855690	541881932	/nfs/dbraw/zinc/88/19/32/541881932.db2.gz	CCVMSVVOOZKBNW-INIZCTEOSA-N	1	1	372.469	2.276	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000073615840	541974138	/nfs/dbraw/zinc/97/41/38/541974138.db2.gz	KCNMTOIAGBFAIT-YJBOKZPZSA-N	1	1	357.454	2.180	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000073615840	541974141	/nfs/dbraw/zinc/97/41/41/541974141.db2.gz	KCNMTOIAGBFAIT-YJBOKZPZSA-N	1	1	357.454	2.180	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1	ZINC000076398043	542273851	/nfs/dbraw/zinc/27/38/51/542273851.db2.gz	UXLGKJWFENLLJB-UHFFFAOYSA-N	1	1	354.376	2.457	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1	ZINC000076672132	542311480	/nfs/dbraw/zinc/31/14/80/542311480.db2.gz	XIQVFDHNPCFHCG-INIZCTEOSA-N	1	1	372.469	2.084	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000080053083	542560673	/nfs/dbraw/zinc/56/06/73/542560673.db2.gz	NPCFMCOAEZEVIY-UHFFFAOYSA-N	1	1	366.469	2.375	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)c(F)c1	ZINC000080621876	542598166	/nfs/dbraw/zinc/59/81/66/542598166.db2.gz	UKCXJGMYWXOETL-IAGOWNOFSA-N	1	1	356.445	2.220	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1	ZINC000081120628	542634163	/nfs/dbraw/zinc/63/41/63/542634163.db2.gz	PPDJMVVCUYXAOF-SLFFLAALSA-N	1	1	352.482	2.270	20	30		FEEDMO
N#Cc1ccc(-c2nnc(CN3CCC[C@H]3C[N@@H+]3CCC[C@@H]3CO)o2)cc1	ZINC000085856835	542733395	/nfs/dbraw/zinc/73/33/95/542733395.db2.gz	OFXHGBDXJJTHNU-ZWKOTPCHSA-N	1	1	367.453	2.029	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000087504347	542747714	/nfs/dbraw/zinc/74/77/14/542747714.db2.gz	PZFDSWFJBBIMPU-NVXWUHKLSA-N	1	1	362.470	2.376	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000087504347	542747717	/nfs/dbraw/zinc/74/77/17/542747717.db2.gz	PZFDSWFJBBIMPU-NVXWUHKLSA-N	1	1	362.470	2.376	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@H](O)c2nccn2C)CC1	ZINC000089925582	542773801	/nfs/dbraw/zinc/77/38/01/542773801.db2.gz	YYSWKIFHYHZXCI-KDOFPFPSSA-N	1	1	367.453	2.064	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(c2[nH+]ccn2C)CC1	ZINC000089926635	542774051	/nfs/dbraw/zinc/77/40/51/542774051.db2.gz	AFJLKHJEZATNLQ-INIZCTEOSA-N	1	1	373.526	2.207	20	30		FEEDMO
C=CCOc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1OC	ZINC000090462771	542785538	/nfs/dbraw/zinc/78/55/38/542785538.db2.gz	HATHKRVRPJQIFG-SJORKVTESA-N	1	1	360.454	2.243	20	30		FEEDMO
C=CCOc1ccc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1OC	ZINC000090462771	542785540	/nfs/dbraw/zinc/78/55/40/542785540.db2.gz	HATHKRVRPJQIFG-SJORKVTESA-N	1	1	360.454	2.243	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000091229320	542799987	/nfs/dbraw/zinc/79/99/87/542799987.db2.gz	UQQQYTFEZPSXPZ-MRXNPFEDSA-N	1	1	374.489	2.045	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](Cc2cccs2)C2CC2)CC1	ZINC000092616981	542875764	/nfs/dbraw/zinc/87/57/64/542875764.db2.gz	KHUCVBOHRSVWPG-SFHVURJKSA-N	1	1	360.527	2.405	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](Cc2cccs2)C2CC2)CC1	ZINC000092616981	542875765	/nfs/dbraw/zinc/87/57/65/542875765.db2.gz	KHUCVBOHRSVWPG-SFHVURJKSA-N	1	1	360.527	2.405	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	ZINC000102400902	543068579	/nfs/dbraw/zinc/06/85/79/543068579.db2.gz	CIIRGKNSCHUOQP-ZFWWWQNUSA-N	1	1	356.401	2.193	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1C	ZINC000103284094	543101079	/nfs/dbraw/zinc/10/10/79/543101079.db2.gz	XKHARMZCLFAWAU-RDJZCZTQSA-N	1	1	356.470	2.136	20	30		FEEDMO
C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[N@@H+](C)C1CC1	ZINC000105264454	543167814	/nfs/dbraw/zinc/16/78/14/543167814.db2.gz	WSKSPCTXTAJNIB-CQSZACIVSA-N	1	1	359.449	2.012	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3sccc3C#N)CC2)CC1	ZINC000108757918	543301284	/nfs/dbraw/zinc/30/12/84/543301284.db2.gz	ABYILVNPZGGVPC-UHFFFAOYSA-N	1	1	374.510	2.026	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1	ZINC000108575807	543295300	/nfs/dbraw/zinc/29/53/00/543295300.db2.gz	QOEGVUOVMNFNFV-GOSISDBHSA-N	1	1	373.476	2.009	20	30		FEEDMO
N#CC1(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CCOCC1	ZINC000109143106	543315569	/nfs/dbraw/zinc/31/55/69/543315569.db2.gz	DUBJHNZNBUHPOJ-UHFFFAOYSA-N	1	1	355.482	2.474	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[NH+](C4CC4)CC3)C2)c(F)c1	ZINC000109403924	543324239	/nfs/dbraw/zinc/32/42/39/543324239.db2.gz	JZKONLQHPUHHGK-INIZCTEOSA-N	1	1	371.460	2.156	20	30		FEEDMO
CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000118122186	543646595	/nfs/dbraw/zinc/64/65/95/543646595.db2.gz	PTBFOERHMSACMT-AWEZNQCLSA-N	1	1	362.499	2.476	20	30		FEEDMO
C=CC[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2	ZINC000121514485	543695569	/nfs/dbraw/zinc/69/55/69/543695569.db2.gz	OOOCKFRRSBXYMI-OAHLLOKOSA-N	1	1	356.470	2.474	20	30		FEEDMO
C=CC[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2	ZINC000121514485	543695570	/nfs/dbraw/zinc/69/55/70/543695570.db2.gz	OOOCKFRRSBXYMI-OAHLLOKOSA-N	1	1	356.470	2.474	20	30		FEEDMO
CC(C)c1[nH+]ccn1CCC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000118761325	543658279	/nfs/dbraw/zinc/65/82/79/543658279.db2.gz	DVOLDPDBPRPTJI-UHFFFAOYSA-N	1	1	352.442	2.012	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1	ZINC000122916326	543731757	/nfs/dbraw/zinc/73/17/57/543731757.db2.gz	HIQMVCCTWFCYST-BEFAXECRSA-N	1	1	362.433	2.276	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+](CC(N)=O)[C@H](C)c1ccccc1	ZINC000123763972	543780918	/nfs/dbraw/zinc/78/09/18/543780918.db2.gz	HTLNVZXZGKIOPF-OAHLLOKOSA-N	1	1	353.422	2.494	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](CC(N)=O)[C@H](C)c1ccccc1	ZINC000123763972	543780921	/nfs/dbraw/zinc/78/09/21/543780921.db2.gz	HTLNVZXZGKIOPF-OAHLLOKOSA-N	1	1	353.422	2.494	20	30		FEEDMO
C=CCC[C@@H](O)C[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1	ZINC000123234466	543749963	/nfs/dbraw/zinc/74/99/63/543749963.db2.gz	LSMZZLGXPXHSGF-MRXNPFEDSA-N	1	1	352.862	2.190	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000123338824	543756434	/nfs/dbraw/zinc/75/64/34/543756434.db2.gz	VVHVAERAVQJGFY-INIZCTEOSA-N	1	1	351.447	2.240	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1	ZINC000124909810	543850710	/nfs/dbraw/zinc/85/07/10/543850710.db2.gz	CDAGOESEGSSDEF-GOSISDBHSA-N	1	1	362.470	2.347	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)CC1	ZINC000127888270	544019543	/nfs/dbraw/zinc/01/95/43/544019543.db2.gz	WULAEFSFZXAWMW-UHFFFAOYSA-N	1	1	366.465	2.212	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)Nc2ccccc2Br)CC1	ZINC000127444796	543993294	/nfs/dbraw/zinc/99/32/94/543993294.db2.gz	FUQLZOHERXZJQC-UHFFFAOYSA-N	1	1	350.260	2.029	20	30		FEEDMO
CCc1nsc(N2CCC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000127548475	543999566	/nfs/dbraw/zinc/99/95/66/543999566.db2.gz	BJQQHTRUABVWCZ-INIZCTEOSA-N	1	1	357.483	2.218	20	30		FEEDMO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000128202176	544038916	/nfs/dbraw/zinc/03/89/16/544038916.db2.gz	FCRQCYYCQOACSC-UXLLHSPISA-N	1	1	372.469	2.043	20	30		FEEDMO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000128202176	544038917	/nfs/dbraw/zinc/03/89/17/544038917.db2.gz	FCRQCYYCQOACSC-UXLLHSPISA-N	1	1	372.469	2.043	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CC[C@H](Oc2ccncc2)C1)c1ccccc1	ZINC000131822568	544208364	/nfs/dbraw/zinc/20/83/64/544208364.db2.gz	HIEGALYTGHWOLE-IBGZPJMESA-N	1	1	350.422	2.482	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CC[C@H](Oc2ccncc2)C1)c1ccccc1	ZINC000131822568	544208366	/nfs/dbraw/zinc/20/83/66/544208366.db2.gz	HIEGALYTGHWOLE-IBGZPJMESA-N	1	1	350.422	2.482	20	30		FEEDMO
C=CCOc1cccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c1	ZINC000133152582	544258102	/nfs/dbraw/zinc/25/81/02/544258102.db2.gz	VZZTVRGZNWTTEO-UHFFFAOYSA-N	1	1	352.438	2.068	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC(=O)N[C@@H]3CCCC[C@H]31)CCC2	ZINC000133441894	544270177	/nfs/dbraw/zinc/27/01/77/544270177.db2.gz	PSUGVWMMAZZDEN-HUUCEWRRSA-N	1	1	372.494	2.180	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC(=O)N[C@@H]3CCCC[C@H]31)CCC2	ZINC000133441894	544270180	/nfs/dbraw/zinc/27/01/80/544270180.db2.gz	PSUGVWMMAZZDEN-HUUCEWRRSA-N	1	1	372.494	2.180	20	30		FEEDMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2C(C)(C)C#N)CC1	ZINC000135293762	544340395	/nfs/dbraw/zinc/34/03/95/544340395.db2.gz	JOYXLYDDUMAOLE-IBGZPJMESA-N	1	1	354.498	2.226	20	30		FEEDMO
CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000135344968	544342969	/nfs/dbraw/zinc/34/29/69/544342969.db2.gz	QFVMOHCLSWAJJF-QAPCUYQASA-N	1	1	373.501	2.404	20	30		FEEDMO
CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000135345010	544343320	/nfs/dbraw/zinc/34/33/20/544343320.db2.gz	QFVMOHCLSWAJJF-CRAIPNDOSA-N	1	1	373.501	2.404	20	30		FEEDMO
Cn1ncc2c1CCC[C@@H]2[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1	ZINC000135611923	544356036	/nfs/dbraw/zinc/35/60/36/544356036.db2.gz	JZOISMITCISKMQ-LPHOPBHVSA-N	1	1	354.454	2.235	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)c(F)c1	ZINC000151056462	544500392	/nfs/dbraw/zinc/50/03/92/544500392.db2.gz	IWNUZCUTWCANMP-UHFFFAOYSA-N	1	1	373.453	2.424	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[N@H+]1C1CC1	ZINC000151794612	544581294	/nfs/dbraw/zinc/58/12/94/544581294.db2.gz	ALOYNEDUMLPWRP-GOEBONIOSA-N	1	1	370.453	2.049	20	30		FEEDMO
C#CCSCCNC(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1	ZINC000154256171	544882073	/nfs/dbraw/zinc/88/20/73/544882073.db2.gz	MCZLIVIUIUDBHF-UHFFFAOYSA-N	1	1	366.556	2.329	20	30		FEEDMO
CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000155139852	544994471	/nfs/dbraw/zinc/99/44/71/544994471.db2.gz	FTTYYTSJIAGBTL-ZDUSSCGKSA-N	1	1	372.288	2.083	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000155139852	544994473	/nfs/dbraw/zinc/99/44/73/544994473.db2.gz	FTTYYTSJIAGBTL-ZDUSSCGKSA-N	1	1	372.288	2.083	20	30		FEEDMO
C#CCNc1nc(NCc2nccs2)[nH+]c(NCc2nccs2)n1	ZINC000804354389	674281702	/nfs/dbraw/zinc/28/17/02/674281702.db2.gz	VKEQDRIJDGGEDP-UHFFFAOYSA-N	1	1	358.456	2.054	20	30		FEEDMO
C#CCNc1nc(NCc2nccs2)nc(NCc2nccs2)[nH+]1	ZINC000804354389	674281706	/nfs/dbraw/zinc/28/17/06/674281706.db2.gz	VKEQDRIJDGGEDP-UHFFFAOYSA-N	1	1	358.456	2.054	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184599173	327874940	/nfs/dbraw/zinc/87/49/40/327874940.db2.gz	OSWICBBWZQFAOJ-UHFFFAOYSA-N	1	1	364.413	2.246	20	30		FEEDMO
CN1c2ccc(C[NH+]3CCN(c4ccc(C#N)cn4)CC3)cc2CCC1=O	ZINC000186878098	327987817	/nfs/dbraw/zinc/98/78/17/327987817.db2.gz	BOBDOBRHLXWPLB-UHFFFAOYSA-N	1	1	361.449	2.184	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O	ZINC000188638482	328100382	/nfs/dbraw/zinc/10/03/82/328100382.db2.gz	OHKRTVWSLWXCMZ-OAHLLOKOSA-N	1	1	359.470	2.019	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1	ZINC000189696646	328162476	/nfs/dbraw/zinc/16/24/76/328162476.db2.gz	GOHPYCVYCNWWTP-UHFFFAOYSA-N	1	1	370.482	2.371	20	30		FEEDMO
CCN1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1=O	ZINC000190162284	328191809	/nfs/dbraw/zinc/19/18/09/328191809.db2.gz	QQKZKVRRQPLDCH-UHFFFAOYSA-N	1	1	374.510	2.381	20	30		FEEDMO
CCN1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1=O	ZINC000190162284	328191811	/nfs/dbraw/zinc/19/18/11/328191811.db2.gz	QQKZKVRRQPLDCH-UHFFFAOYSA-N	1	1	374.510	2.381	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1C#N	ZINC000190862090	328236827	/nfs/dbraw/zinc/23/68/27/328236827.db2.gz	QZQZWLRRVXJWJN-PBHICJAKSA-N	1	1	366.465	2.465	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1C#N	ZINC000190862090	328236829	/nfs/dbraw/zinc/23/68/29/328236829.db2.gz	QZQZWLRRVXJWJN-PBHICJAKSA-N	1	1	366.465	2.465	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000193466399	328377103	/nfs/dbraw/zinc/37/71/03/328377103.db2.gz	HKMUNPHNPNHJKC-CVEARBPZSA-N	1	1	371.485	2.138	20	30		FEEDMO
CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)c3ccc(C#N)cc3)C[C@@H]2C1	ZINC000193488207	328378162	/nfs/dbraw/zinc/37/81/62/328378162.db2.gz	XBENULRQLRFNLX-KSZLIROESA-N	1	1	357.454	2.390	20	30		FEEDMO
CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(CCS(=O)(=O)c1ccc(C#N)cc1)C2	ZINC000081541159	325182360	/nfs/dbraw/zinc/18/23/60/325182360.db2.gz	HIVQBDFSOZAQQG-ZWKOTPCHSA-N	1	1	361.511	2.279	20	30		FEEDMO
Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1C	ZINC000089942464	325343667	/nfs/dbraw/zinc/34/36/67/325343667.db2.gz	ZEXXUJNCUIHHQH-AWEZNQCLSA-N	1	1	354.458	2.372	20	30		FEEDMO
CCOC(=O)CCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000119727965	326192238	/nfs/dbraw/zinc/19/22/38/326192238.db2.gz	NIDXJZXQKCZGGJ-UHFFFAOYSA-N	1	1	372.469	2.119	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC[C@@H]21	ZINC000120608430	326272636	/nfs/dbraw/zinc/27/26/36/326272636.db2.gz	SOPPKQYNQGPRJN-WBMJQRKESA-N	1	1	360.845	2.093	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C(=O)NC2CC2)cc1Cl	ZINC000121370790	326333415	/nfs/dbraw/zinc/33/34/15/326333415.db2.gz	UFJZLSQMJUQPSZ-INIZCTEOSA-N	1	1	360.845	2.283	20	30		FEEDMO
COC(=O)[C@@H](c1cccnc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000121494566	326342762	/nfs/dbraw/zinc/34/27/62/326342762.db2.gz	NLVYPYZGOVQWFA-HXUWFJFHSA-N	1	1	364.449	2.375	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1	ZINC000121712307	326360383	/nfs/dbraw/zinc/36/03/83/326360383.db2.gz	ZRLHMCJVVCELAC-OAHLLOKOSA-N	1	1	354.454	2.281	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000122191224	326387506	/nfs/dbraw/zinc/38/75/06/326387506.db2.gz	FEDNDLZBBCUYCE-QGZVFWFLSA-N	1	1	374.554	2.181	20	30		FEEDMO
N#Cc1cccc(OC2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)c1	ZINC000171807221	327162782	/nfs/dbraw/zinc/16/27/82/327162782.db2.gz	XLNSOQKIXHJHCF-UHFFFAOYSA-N	1	1	371.481	2.431	20	30		FEEDMO
CC1CCN(C(=O)C2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)CC1	ZINC000172174383	327185440	/nfs/dbraw/zinc/18/54/40/327185440.db2.gz	KVKJWCVHLONGJU-UHFFFAOYSA-N	1	1	368.481	2.467	20	30		FEEDMO
COc1cccc([C@H](CNS(=O)(=O)c2ccc(C#N)cc2C)[NH+](C)C)c1	ZINC000172671444	327214086	/nfs/dbraw/zinc/21/40/86/327214086.db2.gz	CIDXALWMHRHQLF-SFHVURJKSA-N	1	1	373.478	2.457	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C	ZINC000172835052	327221513	/nfs/dbraw/zinc/22/15/13/327221513.db2.gz	VPIPERDKHCTCLV-INIZCTEOSA-N	1	1	358.486	2.129	20	30		FEEDMO
C[N@@H+]1CCO[C@H](C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C1	ZINC000174634884	327340339	/nfs/dbraw/zinc/34/03/39/327340339.db2.gz	MBKSEMCHVBJQEZ-IBGZPJMESA-N	1	1	351.406	2.406	20	30		FEEDMO
C[N@H+]1CCO[C@H](C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C1	ZINC000174634884	327340340	/nfs/dbraw/zinc/34/03/40/327340340.db2.gz	MBKSEMCHVBJQEZ-IBGZPJMESA-N	1	1	351.406	2.406	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C#N	ZINC000174789080	327351093	/nfs/dbraw/zinc/35/10/93/327351093.db2.gz	XBMMVZVTFVNCRE-LZWOXQAQSA-N	1	1	356.470	2.288	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCc2cccc(C#N)c2)C[C@@H](C)O1	ZINC000264235342	329003235	/nfs/dbraw/zinc/00/32/35/329003235.db2.gz	GBZDIPXYXUVZHE-MDZRGWNJSA-N	1	1	356.470	2.341	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000264500001	329029924	/nfs/dbraw/zinc/02/99/24/329029924.db2.gz	VEPSOCGDPOMBRW-UHFFFAOYSA-N	1	1	353.382	2.480	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000266582226	329238516	/nfs/dbraw/zinc/23/85/16/329238516.db2.gz	XGJWHVQTDFZUKU-UHFFFAOYSA-N	1	1	374.485	2.079	20	30		FEEDMO
CC(C)n1cnnc1[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000266936329	329274684	/nfs/dbraw/zinc/27/46/84/329274684.db2.gz	PTMRTSPZUCOUMR-SFHVURJKSA-N	1	1	366.469	2.226	20	30		FEEDMO
CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000266936329	329274685	/nfs/dbraw/zinc/27/46/85/329274685.db2.gz	PTMRTSPZUCOUMR-SFHVURJKSA-N	1	1	366.469	2.226	20	30		FEEDMO
CCOC(=O)Nc1ccc(NC(=O)NCCn2cc[nH+]c2C)cc1C#N	ZINC000269873906	329556363	/nfs/dbraw/zinc/55/63/63/329556363.db2.gz	ZDLWLISOZYDQQS-UHFFFAOYSA-N	1	1	356.386	2.453	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1	ZINC000273048832	329832876	/nfs/dbraw/zinc/83/28/76/329832876.db2.gz	WONKSJCPEOIXSX-KRWDZBQOSA-N	1	1	359.451	2.408	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1	ZINC000367096261	330216149	/nfs/dbraw/zinc/21/61/49/330216149.db2.gz	JNZUZNBMPCNQTI-ROUUACIJSA-N	1	1	359.495	2.161	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc1	ZINC000367096261	330216150	/nfs/dbraw/zinc/21/61/50/330216150.db2.gz	JNZUZNBMPCNQTI-ROUUACIJSA-N	1	1	359.495	2.161	20	30		FEEDMO
C#CCNc1nc(NC[C@@H]2CCSC2)nc(NC[C@@H]2CCSC2)[nH+]1	ZINC000804677109	674296785	/nfs/dbraw/zinc/29/67/85/674296785.db2.gz	JEXYTPTUWOEYKS-STQMWFEESA-N	1	1	364.544	2.247	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)NCC(C)(C)OC)[C@@H]1c1cnn(C)c1	ZINC000328642263	521615251	/nfs/dbraw/zinc/61/52/51/521615251.db2.gz	YJORTLUSKSFYJE-DOTOQJQBSA-N	1	1	365.522	2.464	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000155540440	545540189	/nfs/dbraw/zinc/54/01/89/545540189.db2.gz	CWUVVHXUAYIERF-AWEZNQCLSA-N	1	1	360.433	2.120	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C#N	ZINC000155965753	545587583	/nfs/dbraw/zinc/58/75/83/545587583.db2.gz	ZDUPIEPMVFNXMC-HNAYVOBHSA-N	1	1	366.465	2.281	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)[N@@H+]1CCc2ccccc2C1	ZINC000156387552	545624022	/nfs/dbraw/zinc/62/40/22/545624022.db2.gz	MCTUGBPHRHHXAI-AWEZNQCLSA-N	1	1	373.453	2.422	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)[N@H+]1CCc2ccccc2C1	ZINC000156387552	545624027	/nfs/dbraw/zinc/62/40/27/545624027.db2.gz	MCTUGBPHRHHXAI-AWEZNQCLSA-N	1	1	373.453	2.422	20	30		FEEDMO
CS(=O)(=O)CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1	ZINC000156496447	545630618	/nfs/dbraw/zinc/63/06/18/545630618.db2.gz	VMMOTLKYVAKTCQ-UHFFFAOYSA-N	1	1	369.874	2.049	20	30		FEEDMO
CS(=O)(=O)CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1	ZINC000156496447	545630620	/nfs/dbraw/zinc/63/06/20/545630620.db2.gz	VMMOTLKYVAKTCQ-UHFFFAOYSA-N	1	1	369.874	2.049	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C[C@H](O)C2CC2)c1C#N	ZINC000156610214	545639426	/nfs/dbraw/zinc/63/94/26/545639426.db2.gz	WNNUNUSFZWNOBR-SFHVURJKSA-N	1	1	370.453	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C[C@H](O)C2CC2)c1C#N	ZINC000156610214	545639429	/nfs/dbraw/zinc/63/94/29/545639429.db2.gz	WNNUNUSFZWNOBR-SFHVURJKSA-N	1	1	370.453	2.259	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000477656977	561150522	/nfs/dbraw/zinc/15/05/22/561150522.db2.gz	BXNSRKYNANPRTE-OAQYLSRUSA-N	1	1	362.477	2.454	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1C#N	ZINC000157689378	545770804	/nfs/dbraw/zinc/77/08/04/545770804.db2.gz	DLYRMNAMCJHKOU-INIZCTEOSA-N	1	1	373.501	2.350	20	30		FEEDMO
C#Cc1cccc(NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1	ZINC000157821168	545786913	/nfs/dbraw/zinc/78/69/13/545786913.db2.gz	POHGQAHGHNOPLG-UHFFFAOYSA-N	1	1	368.481	2.076	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000158321665	545848003	/nfs/dbraw/zinc/84/80/03/545848003.db2.gz	PDDDHYOIZOKOOE-CYBMUJFWSA-N	1	1	359.451	2.407	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000158321665	545848010	/nfs/dbraw/zinc/84/80/10/545848010.db2.gz	PDDDHYOIZOKOOE-CYBMUJFWSA-N	1	1	359.451	2.407	20	30		FEEDMO
CCOC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1	ZINC000528725553	562343973	/nfs/dbraw/zinc/34/39/73/562343973.db2.gz	ZIOWIPKXVGGIRD-CYBMUJFWSA-N	1	1	363.483	2.174	20	30		FEEDMO
CCOC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1	ZINC000528725553	562343974	/nfs/dbraw/zinc/34/39/74/562343974.db2.gz	ZIOWIPKXVGGIRD-CYBMUJFWSA-N	1	1	363.483	2.174	20	30		FEEDMO
C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000158560310	545871720	/nfs/dbraw/zinc/87/17/20/545871720.db2.gz	VIJKUOHRTJFMRV-LBPRGKRZSA-N	1	1	369.437	2.474	20	30		FEEDMO
C[NH+]1CCN([C@H](C(=O)N[C@@H](C#N)c2ccccc2F)c2ccccc2)CC1	ZINC000161288091	546117069	/nfs/dbraw/zinc/11/70/69/546117069.db2.gz	VKKGEWKENGSABP-PMACEKPBSA-N	1	1	366.440	2.495	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(F)(F)C3(O)CCC3)CC2)cc1	ZINC000161348786	546122246	/nfs/dbraw/zinc/12/22/46/546122246.db2.gz	VDEBVSNAFGNGHX-UHFFFAOYSA-N	1	1	363.408	2.143	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(F)(F)C3(O)CCC3)CC2)cc1	ZINC000161348786	546122250	/nfs/dbraw/zinc/12/22/50/546122250.db2.gz	VDEBVSNAFGNGHX-UHFFFAOYSA-N	1	1	363.408	2.143	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](C)CC1	ZINC000162002170	546136887	/nfs/dbraw/zinc/13/68/87/546136887.db2.gz	AKUWJZRUUSOBFU-CQSZACIVSA-N	1	1	360.483	2.183	20	30		FEEDMO
C=CC[NH+]1CCC(N[C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)CC1	ZINC000479068840	561180837	/nfs/dbraw/zinc/18/08/37/561180837.db2.gz	OZPXTBGZAIEANT-OAHLLOKOSA-N	1	1	351.516	2.252	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2ccc(C#N)cc2F)C[C@H](C)O1	ZINC000170935024	546183534	/nfs/dbraw/zinc/18/35/34/546183534.db2.gz	GRBFXPHVJXFLLN-OKILXGFUSA-N	1	1	362.449	2.384	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C#N)cc2F)C[C@H](C)O1	ZINC000170935024	546183538	/nfs/dbraw/zinc/18/35/38/546183538.db2.gz	GRBFXPHVJXFLLN-OKILXGFUSA-N	1	1	362.449	2.384	20	30		FEEDMO
CCN(CCC#N)C(=O)CN1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1	ZINC000171704731	546219526	/nfs/dbraw/zinc/21/95/26/546219526.db2.gz	HUWYWJHFEORDAK-KRWDZBQOSA-N	1	1	358.486	2.136	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](OCCO)C1	ZINC000172297081	546244570	/nfs/dbraw/zinc/24/45/70/546244570.db2.gz	QVAUEGRSLKZVBO-CVEARBPZSA-N	1	1	352.500	2.125	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](OCCO)C1	ZINC000172297081	546244574	/nfs/dbraw/zinc/24/45/74/546244574.db2.gz	QVAUEGRSLKZVBO-CVEARBPZSA-N	1	1	352.500	2.125	20	30		FEEDMO
Cc1cccc(C[NH+]2CCN(C(=O)CN(CCC#N)CC3CC3)CC2)c1	ZINC000174697149	546302504	/nfs/dbraw/zinc/30/25/04/546302504.db2.gz	PNTMXWGESXGOME-UHFFFAOYSA-N	1	1	354.498	2.265	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)CN1CC[NH+](C)CC1	ZINC000174903911	546305288	/nfs/dbraw/zinc/30/52/88/546305288.db2.gz	YOSPALRKTMDQQD-INIZCTEOSA-N	1	1	357.502	2.493	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1	ZINC000175157208	546306920	/nfs/dbraw/zinc/30/69/20/546306920.db2.gz	FQUHAONJQUVMJB-GOSISDBHSA-N	1	1	356.470	2.033	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1	ZINC000175157208	546306923	/nfs/dbraw/zinc/30/69/23/546306923.db2.gz	FQUHAONJQUVMJB-GOSISDBHSA-N	1	1	356.470	2.033	20	30		FEEDMO
C=CCCCC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000175373154	546309216	/nfs/dbraw/zinc/30/92/16/546309216.db2.gz	KNUYZVWYMUNHQF-UHFFFAOYSA-N	1	1	359.470	2.320	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1	ZINC000178180822	546753399	/nfs/dbraw/zinc/75/33/99/546753399.db2.gz	GOXWJIKWHWIYNW-FYJGNVAPSA-N	1	1	367.453	2.473	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1	ZINC000178418561	546790756	/nfs/dbraw/zinc/79/07/56/546790756.db2.gz	WJVNDTOSINOZSQ-OAHLLOKOSA-N	1	1	356.470	2.434	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H]1C	ZINC000179660819	546994195	/nfs/dbraw/zinc/99/41/95/546994195.db2.gz	HLLOZHPIVFFRJQ-IKGGRYGDSA-N	1	1	360.527	2.435	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cc(OC)c(OC)cc2O)c1	ZINC000179793720	547014279	/nfs/dbraw/zinc/01/42/79/547014279.db2.gz	KVGXYROICYXCFM-UHFFFAOYSA-N	1	1	354.406	2.461	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cc(OC)c(OC)cc2O)c1	ZINC000179793720	547014283	/nfs/dbraw/zinc/01/42/83/547014283.db2.gz	KVGXYROICYXCFM-UHFFFAOYSA-N	1	1	354.406	2.461	20	30		FEEDMO
C=CCOC[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(=O)OC	ZINC000482440151	561254000	/nfs/dbraw/zinc/25/40/00/561254000.db2.gz	PYSAZGUZYINYDA-WCIQWLHISA-N	1	1	358.482	2.231	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000180830655	547188070	/nfs/dbraw/zinc/18/80/70/547188070.db2.gz	DTVNKTUHUCLASA-CQSZACIVSA-N	1	1	361.442	2.496	20	30		FEEDMO
C[C@@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)C(=O)NC1(C#N)CCC1	ZINC000483096458	561267217	/nfs/dbraw/zinc/26/72/17/561267217.db2.gz	DIQKWIGSHZQKTG-DGCLKSJQSA-N	1	1	371.359	2.159	20	30		FEEDMO
C=CCn1c(SCCCN2CC[NH+](C)CC2)nc2ccccc2c1=O	ZINC000181304189	547289606	/nfs/dbraw/zinc/28/96/06/547289606.db2.gz	GNZKFLGWQDPCPN-UHFFFAOYSA-N	1	1	358.511	2.312	20	30		FEEDMO
C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000483304260	561273625	/nfs/dbraw/zinc/27/36/25/561273625.db2.gz	PTBFSSOLXLGTBO-PBHICJAKSA-N	1	1	365.861	2.058	20	30		FEEDMO
C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000483304260	561273626	/nfs/dbraw/zinc/27/36/26/561273626.db2.gz	PTBFSSOLXLGTBO-PBHICJAKSA-N	1	1	365.861	2.058	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000181873015	547395249	/nfs/dbraw/zinc/39/52/49/547395249.db2.gz	FXFLXTNMHLUKAT-CQSZACIVSA-N	1	1	369.425	2.018	20	30		FEEDMO
C[C@@H](C#N)CNC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000182591259	547518568	/nfs/dbraw/zinc/51/85/68/547518568.db2.gz	BDTSEEIDSTXILM-SFHVURJKSA-N	1	1	357.502	2.043	20	30		FEEDMO
CC(C)c1[nH+]ccn1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000182832915	547558399	/nfs/dbraw/zinc/55/83/99/547558399.db2.gz	OXJCWFFZELMDNF-OAHLLOKOSA-N	1	1	357.483	2.477	20	30		FEEDMO
CC#CCCCC(=O)N1c2ccccc2CC[C@H]1C(=O)N1CC[NH+](C)CC1	ZINC000185388355	547978580	/nfs/dbraw/zinc/97/85/80/547978580.db2.gz	PMCKMGSEHSOAGJ-FQEVSTJZSA-N	1	1	367.493	2.302	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1	ZINC000185620477	548010183	/nfs/dbraw/zinc/01/01/83/548010183.db2.gz	XAUFSHSIHYFZQX-HNNXBMFYSA-N	1	1	373.478	2.366	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C)CC12CCCCC2	ZINC000185829842	548042537	/nfs/dbraw/zinc/04/25/37/548042537.db2.gz	MTXWMDGWRJVPPY-UHFFFAOYSA-N	1	1	363.483	2.206	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@@H+](C)CC12CCCCC2	ZINC000185829842	548042540	/nfs/dbraw/zinc/04/25/40/548042540.db2.gz	MTXWMDGWRJVPPY-UHFFFAOYSA-N	1	1	363.483	2.206	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(-c2ccccc2)n1	ZINC000187537101	548259622	/nfs/dbraw/zinc/25/96/22/548259622.db2.gz	SQOAUVDHMSLSNF-HXUWFJFHSA-N	1	1	352.438	2.455	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2CCO[C@]3(CCOC3)C2)c(-c2ccccc2)n1	ZINC000187537101	548259628	/nfs/dbraw/zinc/25/96/28/548259628.db2.gz	SQOAUVDHMSLSNF-HXUWFJFHSA-N	1	1	352.438	2.455	20	30		FEEDMO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1	ZINC000188801574	548288253	/nfs/dbraw/zinc/28/82/53/548288253.db2.gz	ZUZGXXBOIGXRCZ-ZDUSSCGKSA-N	1	1	372.387	2.409	20	30		FEEDMO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1	ZINC000188801574	548288259	/nfs/dbraw/zinc/28/82/59/548288259.db2.gz	ZUZGXXBOIGXRCZ-ZDUSSCGKSA-N	1	1	372.387	2.409	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1	ZINC000188913794	548291594	/nfs/dbraw/zinc/29/15/94/548291594.db2.gz	YFURMOFKDXRTII-GJZGRUSLSA-N	1	1	362.499	2.469	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1	ZINC000188913794	548291600	/nfs/dbraw/zinc/29/16/00/548291600.db2.gz	YFURMOFKDXRTII-GJZGRUSLSA-N	1	1	362.499	2.469	20	30		FEEDMO
C=CC[N@@H+](CCOC)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000191129221	548340201	/nfs/dbraw/zinc/34/02/01/548340201.db2.gz	BQOGTVXRJNUDKX-KMYSJOAASA-N	1	1	363.502	2.304	20	30		FEEDMO
C=CC[N@H+](CCOC)[C@@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000191129221	548340202	/nfs/dbraw/zinc/34/02/02/548340202.db2.gz	BQOGTVXRJNUDKX-KMYSJOAASA-N	1	1	363.502	2.304	20	30		FEEDMO
C=CCSCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000192364134	548362633	/nfs/dbraw/zinc/36/26/33/548362633.db2.gz	JSELQJKTRQTOLC-GOSISDBHSA-N	1	1	363.527	2.496	20	30		FEEDMO
N#Cc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)s1	ZINC000486699417	561354672	/nfs/dbraw/zinc/35/46/72/561354672.db2.gz	OCQYPMWWOLSTAF-OAHLLOKOSA-N	1	1	354.435	2.322	20	30		FEEDMO
N#Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)s1	ZINC000486699417	561354673	/nfs/dbraw/zinc/35/46/73/561354673.db2.gz	OCQYPMWWOLSTAF-OAHLLOKOSA-N	1	1	354.435	2.322	20	30		FEEDMO
CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(C#N)c(C)n1	ZINC000195185272	548592328	/nfs/dbraw/zinc/59/23/28/548592328.db2.gz	VSGUZOMXDHSYDX-QGZVFWFLSA-N	1	1	372.469	2.141	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1	ZINC000487770411	561375368	/nfs/dbraw/zinc/37/53/68/561375368.db2.gz	MLRPWSOUWCKDQQ-AWEZNQCLSA-N	1	1	373.501	2.039	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@H+]2CCO[C@H](C)C2)CC1	ZINC000246292715	549098469	/nfs/dbraw/zinc/09/84/69/549098469.db2.gz	VIOKMERERRAKSV-HZPDHXFCSA-N	1	1	356.470	2.070	20	30		FEEDMO
N#Cc1ccsc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000246451800	549135659	/nfs/dbraw/zinc/13/56/59/549135659.db2.gz	BXOGMUVTVOPQSA-IRXDYDNUSA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1ccsc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000246451800	549135664	/nfs/dbraw/zinc/13/56/64/549135664.db2.gz	BXOGMUVTVOPQSA-IRXDYDNUSA-N	1	1	355.463	2.233	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1	ZINC000246509476	549149782	/nfs/dbraw/zinc/14/97/82/549149782.db2.gz	ICQJBCNRXOTPSD-JQFCIGGWSA-N	1	1	363.433	2.114	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](CO)[C@H]2C)c1C#N	ZINC000488719740	561395222	/nfs/dbraw/zinc/39/52/22/561395222.db2.gz	OTAHGAKLWJQTLU-CVEARBPZSA-N	1	1	370.453	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@H]2C)c1C#N	ZINC000488719740	561395223	/nfs/dbraw/zinc/39/52/23/561395223.db2.gz	OTAHGAKLWJQTLU-CVEARBPZSA-N	1	1	370.453	2.259	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccn(CCC#N)n1	ZINC000246726414	549197750	/nfs/dbraw/zinc/19/77/50/549197750.db2.gz	MMBVRGPKFMLCLS-NVXWUHKLSA-N	1	1	367.457	2.224	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1F	ZINC000489015642	561401547	/nfs/dbraw/zinc/40/15/47/561401547.db2.gz	MAULHNMOFOEDLX-INIZCTEOSA-N	1	1	359.426	2.250	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F	ZINC000489015642	561401548	/nfs/dbraw/zinc/40/15/48/561401548.db2.gz	MAULHNMOFOEDLX-INIZCTEOSA-N	1	1	359.426	2.250	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(c2nc(CC)ns2)CC1	ZINC000247578238	549361097	/nfs/dbraw/zinc/36/10/97/549361097.db2.gz	SLZCZQHYQJLJIS-OAHLLOKOSA-N	1	1	365.547	2.426	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(c2nc(CC)ns2)CC1	ZINC000247578238	549361100	/nfs/dbraw/zinc/36/11/00/549361100.db2.gz	SLZCZQHYQJLJIS-OAHLLOKOSA-N	1	1	365.547	2.426	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489589206	561414916	/nfs/dbraw/zinc/41/49/16/561414916.db2.gz	UJDACQCFHXWURA-HZSPNIEDSA-N	1	1	353.463	2.342	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H]1C	ZINC000249049891	549542403	/nfs/dbraw/zinc/54/24/03/549542403.db2.gz	HYWSVIDBJNFLGA-FVTKVJNCSA-N	1	1	363.502	2.437	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H]1C	ZINC000249049891	549542406	/nfs/dbraw/zinc/54/24/06/549542406.db2.gz	HYWSVIDBJNFLGA-FVTKVJNCSA-N	1	1	363.502	2.437	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)[C@@H](C)C1	ZINC000249153469	549562001	/nfs/dbraw/zinc/56/20/01/549562001.db2.gz	HVCZSYUCBRBEDD-LRDDRELGSA-N	1	1	362.861	2.339	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000249410929	549589460	/nfs/dbraw/zinc/58/94/60/549589460.db2.gz	VGJKSBVIZSMIOZ-LPHOPBHVSA-N	1	1	373.497	2.265	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO	ZINC000249953593	549636177	/nfs/dbraw/zinc/63/61/77/549636177.db2.gz	VLLCJDHLBZZNDL-FPOVZHCZSA-N	1	1	360.498	2.488	20	30		FEEDMO
COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCOC1	ZINC000490064826	561425528	/nfs/dbraw/zinc/42/55/28/561425528.db2.gz	VBGUJUNBBMDDJW-ZDUSSCGKSA-N	1	1	363.483	2.174	20	30		FEEDMO
C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N[C@@H]1CN(C2CC2)C[C@H]1C	ZINC000261937892	549772224	/nfs/dbraw/zinc/77/22/24/549772224.db2.gz	CXTMPBOQQRLEOP-RDTXWAMCSA-N	1	1	352.486	2.224	20	30		FEEDMO
C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@H]1CN(C2CC2)C[C@H]1C	ZINC000262010022	549779430	/nfs/dbraw/zinc/77/94/30/549779430.db2.gz	WJQYZYLBFQEYPU-KDOFPFPSSA-N	1	1	353.470	2.489	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC#Cc2ccccc2)C[C@@H](C)O1	ZINC000264286843	549993989	/nfs/dbraw/zinc/99/39/89/549993989.db2.gz	TXMCCJMPQRSGGW-GGPKGHCWSA-N	1	1	355.482	2.321	20	30		FEEDMO
N#CC1(C(=O)NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CCCC1	ZINC000264440088	549996026	/nfs/dbraw/zinc/99/60/26/549996026.db2.gz	AGBKMOAZWIVZRP-GOSISDBHSA-N	1	1	368.481	2.084	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(S(C)(=O)=O)CCCC1)C(C)C	ZINC000264919196	550003504	/nfs/dbraw/zinc/00/35/04/550003504.db2.gz	PGLMTQQNROEPID-INIZCTEOSA-N	1	1	356.532	2.159	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@H](C)CS(=O)(=O)CC)C(C)C	ZINC000265096703	550006196	/nfs/dbraw/zinc/00/61/96/550006196.db2.gz	RTOSHSJYYJDBKA-SJORKVTESA-N	1	1	373.563	2.150	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1(C#N)CCCCC1	ZINC000265476221	550010261	/nfs/dbraw/zinc/01/02/61/550010261.db2.gz	QXDBOWMOLPZLOS-QGZVFWFLSA-N	1	1	355.486	2.182	20	30		FEEDMO
C=C(Cl)CNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000265626510	550012817	/nfs/dbraw/zinc/01/28/17/550012817.db2.gz	GCCFEEQSUYGXRG-ZIAGYGMSSA-N	1	1	365.861	2.103	20	30		FEEDMO
N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1	ZINC000267537334	550032859	/nfs/dbraw/zinc/03/28/59/550032859.db2.gz	UAVZCGKJLLCWFL-PKOBYXMFSA-N	1	1	358.461	2.142	20	30		FEEDMO
N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1	ZINC000267537334	550032861	/nfs/dbraw/zinc/03/28/61/550032861.db2.gz	UAVZCGKJLLCWFL-PKOBYXMFSA-N	1	1	358.461	2.142	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1	ZINC000267725079	550034383	/nfs/dbraw/zinc/03/43/83/550034383.db2.gz	MILPKPOBIZHYAD-GJZGRUSLSA-N	1	1	366.531	2.049	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1	ZINC000267725079	550034385	/nfs/dbraw/zinc/03/43/85/550034385.db2.gz	MILPKPOBIZHYAD-GJZGRUSLSA-N	1	1	366.531	2.049	20	30		FEEDMO
C=CCOCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000268042258	550036401	/nfs/dbraw/zinc/03/64/01/550036401.db2.gz	QHVZFBVEQNBYHS-KRWDZBQOSA-N	1	1	362.470	2.377	20	30		FEEDMO
C=CCOCCCC(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000268042258	550036404	/nfs/dbraw/zinc/03/64/04/550036404.db2.gz	QHVZFBVEQNBYHS-KRWDZBQOSA-N	1	1	362.470	2.377	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1OCC#N	ZINC000268221149	550037836	/nfs/dbraw/zinc/03/78/36/550037836.db2.gz	LYCZXGGHCOYYJF-LUBSWZIOSA-N	1	1	355.438	2.210	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000269559445	550206493	/nfs/dbraw/zinc/20/64/93/550206493.db2.gz	ILSYUBGPJJIUNO-MRXNPFEDSA-N	1	1	372.469	2.012	20	30		FEEDMO
COCC1(O)CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1	ZINC000270406761	550269742	/nfs/dbraw/zinc/26/97/42/550269742.db2.gz	WMKULUPQKDSQKU-SFHVURJKSA-N	1	1	373.497	2.412	20	30		FEEDMO
N#CCc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1	ZINC000270862206	550314606	/nfs/dbraw/zinc/31/46/06/550314606.db2.gz	NEAOGIQLCXOUPE-LEWJYISDSA-N	1	1	363.461	2.365	20	30		FEEDMO
N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1	ZINC000272058685	550419326	/nfs/dbraw/zinc/41/93/26/550419326.db2.gz	BVHCRFBDCBZFNA-VQTJNVASSA-N	1	1	354.498	2.393	20	30		FEEDMO
Cn1cc(C[N@H+](C)CCCN2CCN(C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000273040582	550481784	/nfs/dbraw/zinc/48/17/84/550481784.db2.gz	WPTRYLLWPXBKDV-UHFFFAOYSA-N	1	1	366.513	2.028	20	30		FEEDMO
Cn1cc(C[N@@H+](C)CCCN2CCN(C)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000273040582	550481785	/nfs/dbraw/zinc/48/17/85/550481785.db2.gz	WPTRYLLWPXBKDV-UHFFFAOYSA-N	1	1	366.513	2.028	20	30		FEEDMO
N#CCCCNC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000273122056	550486011	/nfs/dbraw/zinc/48/60/11/550486011.db2.gz	HNEGSPUJUIJJPQ-UHFFFAOYSA-N	1	1	357.502	2.187	20	30		FEEDMO
C[C@@H](NCC(=O)NCc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000273314702	550494161	/nfs/dbraw/zinc/49/41/61/550494161.db2.gz	VGUOPGHVZMPHJC-APWZRJJASA-N	1	1	354.498	2.417	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1	ZINC000274458646	550538990	/nfs/dbraw/zinc/53/89/90/550538990.db2.gz	GZXYCWZFHAELQL-QGZVFWFLSA-N	1	1	365.399	2.452	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C	ZINC000274706760	550550036	/nfs/dbraw/zinc/55/00/36/550550036.db2.gz	RXXANIFHHHOUTC-KRWDZBQOSA-N	1	1	371.481	2.408	20	30		FEEDMO
C=C(C)[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(F)c(F)c1	ZINC000274712169	550550386	/nfs/dbraw/zinc/55/03/86/550550386.db2.gz	AVDPAPVUSAPBSY-PBHICJAKSA-N	1	1	352.429	2.127	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F	ZINC000275460429	550572647	/nfs/dbraw/zinc/57/26/47/550572647.db2.gz	MSINWWFDLCAGIG-WDEREUQCSA-N	1	1	365.384	2.482	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1	ZINC000276305577	550577849	/nfs/dbraw/zinc/57/78/49/550577849.db2.gz	XTCZWVQRDRMSHC-LJQANCHMSA-N	1	1	361.436	2.097	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1)C1CC1	ZINC000277757938	550710692	/nfs/dbraw/zinc/71/06/92/550710692.db2.gz	JVQLTWYAKDQSIN-BZNIZROVSA-N	1	1	369.391	2.416	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1)C1CC1	ZINC000277757938	550710694	/nfs/dbraw/zinc/71/06/94/550710694.db2.gz	JVQLTWYAKDQSIN-BZNIZROVSA-N	1	1	369.391	2.416	20	30		FEEDMO
Cc1cc(S(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)ccc1C#N	ZINC000278072679	550746162	/nfs/dbraw/zinc/74/61/62/550746162.db2.gz	TTYLPASUXDTSGO-UHFFFAOYSA-N	1	1	370.478	2.205	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000278302157	550770885	/nfs/dbraw/zinc/77/08/85/550770885.db2.gz	SMYMZGGDGDYDJL-BHIYHBOVSA-N	1	1	371.481	2.304	20	30		FEEDMO
Cc1c[nH+]ccc1OC1CCN(S(=O)(=O)c2ccccc2C#N)CC1	ZINC000278608926	550803829	/nfs/dbraw/zinc/80/38/29/550803829.db2.gz	DOJGHERLAKCFIM-UHFFFAOYSA-N	1	1	357.435	2.494	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000278621735	550805147	/nfs/dbraw/zinc/80/51/47/550805147.db2.gz	JZCMYMHLSJZPHZ-HNNXBMFYSA-N	1	1	367.453	2.293	20	30		FEEDMO
C#CCOc1cccc(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1	ZINC000278889754	550832667	/nfs/dbraw/zinc/83/26/67/550832667.db2.gz	QEQKEJDDISHISD-INIZCTEOSA-N	1	1	357.454	2.416	20	30		FEEDMO
C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000279721888	550921503	/nfs/dbraw/zinc/92/15/03/550921503.db2.gz	LXJANZATKOPEOV-INIZCTEOSA-N	1	1	353.470	2.111	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000280127565	550963506	/nfs/dbraw/zinc/96/35/06/550963506.db2.gz	MJKVZEMFPCICQQ-MRXNPFEDSA-N	1	1	373.501	2.261	20	30		FEEDMO
C[C@@H](CO)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1CCC1	ZINC000280344327	550983023	/nfs/dbraw/zinc/98/30/23/550983023.db2.gz	IPASUJZRQPHJJE-HNNXBMFYSA-N	1	1	367.453	2.165	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@](C)(C(N)=O)C2)c1	ZINC000280714088	551024348	/nfs/dbraw/zinc/02/43/48/551024348.db2.gz	JNDPKVJDJJWMTB-OXJNMPFZSA-N	1	1	356.470	2.136	20	30		FEEDMO
Cc1nsc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1C#N	ZINC000281265069	551079342	/nfs/dbraw/zinc/07/93/42/551079342.db2.gz	VPFYRGIWXHSOPY-MRXNPFEDSA-N	1	1	355.467	2.250	20	30		FEEDMO
C[NH+](C)Cc1cc(NC(=O)C(=O)N(CCC#N)CC2CC2)ccc1Cl	ZINC000281314142	551083653	/nfs/dbraw/zinc/08/36/53/551083653.db2.gz	AJYYWDISHZWSPN-UHFFFAOYSA-N	1	1	362.861	2.492	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)Cc2cc(=O)oc3cc(O)c(CC)cc23)C1=O	ZINC000281321484	551084359	/nfs/dbraw/zinc/08/43/59/551084359.db2.gz	LFFMFUSNXPXUKY-MRXNPFEDSA-N	1	1	356.422	2.280	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)Cc2cc(=O)oc3cc(O)c(CC)cc23)C1=O	ZINC000281321484	551084361	/nfs/dbraw/zinc/08/43/61/551084361.db2.gz	LFFMFUSNXPXUKY-MRXNPFEDSA-N	1	1	356.422	2.280	20	30		FEEDMO
CC[N@H+](CCOCCO)CC(=O)Nc1ccccc1S[C@H](C)CC#N	ZINC000281937522	551160204	/nfs/dbraw/zinc/16/02/04/551160204.db2.gz	DSOKPMOZJBJTHW-OAHLLOKOSA-N	1	1	365.499	2.350	20	30		FEEDMO
CC[N@@H+](CCOCCO)CC(=O)Nc1ccccc1S[C@H](C)CC#N	ZINC000281937522	551160206	/nfs/dbraw/zinc/16/02/06/551160206.db2.gz	DSOKPMOZJBJTHW-OAHLLOKOSA-N	1	1	365.499	2.350	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)[C@H](CO)c2cccc(Br)c2)C1=O	ZINC000282130449	551184569	/nfs/dbraw/zinc/18/45/69/551184569.db2.gz	YQVNDQAGMHYQFC-LSDHHAIUSA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)[C@H](CO)c2cccc(Br)c2)C1=O	ZINC000282130449	551184571	/nfs/dbraw/zinc/18/45/71/551184571.db2.gz	YQVNDQAGMHYQFC-LSDHHAIUSA-N	1	1	353.260	2.201	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000282296113	551208241	/nfs/dbraw/zinc/20/82/41/551208241.db2.gz	LVVRDBFVCPXMNO-UHFFFAOYSA-N	1	1	361.389	2.292	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1	ZINC000282541703	551244654	/nfs/dbraw/zinc/24/46/54/551244654.db2.gz	RBWTYVNRWVHIIG-MJGOQNOKSA-N	1	1	366.465	2.187	20	30		FEEDMO
COCCCn1nccc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000282805835	551272658	/nfs/dbraw/zinc/27/26/58/551272658.db2.gz	NSKSDTYBBPGYLA-UHFFFAOYSA-N	1	1	367.497	2.499	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)N(C)[C@H](C)CC#N	ZINC000282978642	551292653	/nfs/dbraw/zinc/29/26/53/551292653.db2.gz	LVSPWBVKGDBRSP-OAHLLOKOSA-N	1	1	352.504	2.095	20	30		FEEDMO
C=CCn1c(-c2cccnc2)nnc1N1CC[N@@H+](CCOC)[C@H](CCC)C1	ZINC000283675183	551407439	/nfs/dbraw/zinc/40/74/39/551407439.db2.gz	ZXSVFHLSFDRSMU-GOSISDBHSA-N	1	1	370.501	2.463	20	30		FEEDMO
CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3ccc(C#N)o3)cc2)CC1	ZINC000498109781	561516228	/nfs/dbraw/zinc/51/62/28/561516228.db2.gz	GRYMGVCYKHXDDD-UHFFFAOYSA-N	1	1	352.394	2.068	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NCCCCC#N)C1	ZINC000284554947	551576467	/nfs/dbraw/zinc/57/64/67/551576467.db2.gz	TWWSLVQVLGIOSK-QGZVFWFLSA-N	1	1	370.497	2.345	20	30		FEEDMO
C#CCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1)C1CC1	ZINC000284735876	551620687	/nfs/dbraw/zinc/62/06/87/551620687.db2.gz	BZHRQUBWDAHQSX-RTWAWAEBSA-N	1	1	362.477	2.260	20	30		FEEDMO
COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O	ZINC000284942582	551673145	/nfs/dbraw/zinc/67/31/45/551673145.db2.gz	VUVJSCKNYAFZOR-DMUMMCEESA-N	1	1	358.438	2.024	20	30		FEEDMO
COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O	ZINC000284942582	551673147	/nfs/dbraw/zinc/67/31/47/551673147.db2.gz	VUVJSCKNYAFZOR-DMUMMCEESA-N	1	1	358.438	2.024	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1	ZINC000285276336	551730872	/nfs/dbraw/zinc/73/08/72/551730872.db2.gz	ZQMHJAFSGWLNOC-INIZCTEOSA-N	1	1	370.497	2.143	20	30		FEEDMO
C=CCCCCCN(C)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C	ZINC000285450157	551758533	/nfs/dbraw/zinc/75/85/33/551758533.db2.gz	LFPHXUOOFXPZRP-UHFFFAOYSA-N	1	1	369.469	2.397	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)c(F)c1	ZINC000285941246	551829805	/nfs/dbraw/zinc/82/98/05/551829805.db2.gz	HXZQLZVJEQKBGX-JKSUJKDBSA-N	1	1	356.445	2.124	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1	ZINC000286294235	551870796	/nfs/dbraw/zinc/87/07/96/551870796.db2.gz	CEHZIFIRUSXSQQ-KBPBESRZSA-N	1	1	355.360	2.380	20	30		FEEDMO
C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1C	ZINC000286321928	551874293	/nfs/dbraw/zinc/87/42/93/551874293.db2.gz	QAYSBBIERAPKKM-OIISXLGYSA-N	1	1	358.461	2.465	20	30		FEEDMO
N#Cc1cc(NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)ccn1	ZINC000286327782	551874776	/nfs/dbraw/zinc/87/47/76/551874776.db2.gz	JMSQHEQQQDAAOY-UHFFFAOYSA-N	1	1	365.437	2.226	20	30		FEEDMO
CC[N@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)CS(=O)(=O)CC	ZINC000499033740	561541552	/nfs/dbraw/zinc/54/15/52/561541552.db2.gz	MCMMVIVWKCTOFA-GFCCVEGCSA-N	1	1	357.501	2.093	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)CS(=O)(=O)CC	ZINC000499033740	561541553	/nfs/dbraw/zinc/54/15/53/561541553.db2.gz	MCMMVIVWKCTOFA-GFCCVEGCSA-N	1	1	357.501	2.093	20	30		FEEDMO
COc1ccccc1O[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000286561666	551900193	/nfs/dbraw/zinc/90/01/93/551900193.db2.gz	TYKQEOQOTKZSMJ-QGZVFWFLSA-N	1	1	370.453	2.194	20	30		FEEDMO
COc1ccccc1O[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000286561666	551900195	/nfs/dbraw/zinc/90/01/95/551900195.db2.gz	TYKQEOQOTKZSMJ-QGZVFWFLSA-N	1	1	370.453	2.194	20	30		FEEDMO
COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000286561660	551900324	/nfs/dbraw/zinc/90/03/24/551900324.db2.gz	TYKQEOQOTKZSMJ-KRWDZBQOSA-N	1	1	370.453	2.194	20	30		FEEDMO
COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000286561660	551900326	/nfs/dbraw/zinc/90/03/26/551900326.db2.gz	TYKQEOQOTKZSMJ-KRWDZBQOSA-N	1	1	370.453	2.194	20	30		FEEDMO
COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000286631180	551908530	/nfs/dbraw/zinc/90/85/30/551908530.db2.gz	SPMALPBIWGNSOR-INIZCTEOSA-N	1	1	369.343	2.314	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCCN1CC[NH+](CC)CC1	ZINC000286703622	551916520	/nfs/dbraw/zinc/91/65/20/551916520.db2.gz	RFHIJUOMZNGCBJ-NRFANRHFSA-N	1	1	370.541	2.338	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1	ZINC000286729846	551919702	/nfs/dbraw/zinc/91/97/02/551919702.db2.gz	XQZKZEFRSAOXHL-DZGCQCFKSA-N	1	1	355.360	2.380	20	30		FEEDMO
CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000286975225	551946786	/nfs/dbraw/zinc/94/67/86/551946786.db2.gz	OWOXIOMLVQYLFL-INIZCTEOSA-N	1	1	370.497	2.191	20	30		FEEDMO
C#CCN1CCC(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1	ZINC000288360213	552140158	/nfs/dbraw/zinc/14/01/58/552140158.db2.gz	KOTJJSQSNQVGCP-QHCPKHFHSA-N	1	1	365.521	2.456	20	30		FEEDMO
C#CCN1CCC(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1	ZINC000288360213	552140159	/nfs/dbraw/zinc/14/01/59/552140159.db2.gz	KOTJJSQSNQVGCP-QHCPKHFHSA-N	1	1	365.521	2.456	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1	ZINC000288518207	552167633	/nfs/dbraw/zinc/16/76/33/552167633.db2.gz	PCDCIDRSDAJLEA-UYAOXDASSA-N	1	1	357.498	2.421	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C1=O	ZINC000500015348	561564084	/nfs/dbraw/zinc/56/40/84/561564084.db2.gz	PHMBULARWRWZDF-GOEBONIOSA-N	1	1	356.388	2.328	20	30		FEEDMO
COCCOCc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1	ZINC000288989949	552248671	/nfs/dbraw/zinc/24/86/71/552248671.db2.gz	DDAKHEXSNKWXAA-UHFFFAOYSA-N	1	1	366.465	2.438	20	30		FEEDMO
N#CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000289365541	552308221	/nfs/dbraw/zinc/30/82/21/552308221.db2.gz	APOFXDHBXIVEQO-CQSZACIVSA-N	1	1	355.360	2.479	20	30		FEEDMO
C#CC[C@]1(C(=O)NCCn2cc[nH+]c2C)CCCN1C(=O)OC(C)(C)C	ZINC000289550238	552339332	/nfs/dbraw/zinc/33/93/32/552339332.db2.gz	GDXGTSZQJLCRBI-LJQANCHMSA-N	1	1	360.458	2.101	20	30		FEEDMO
Cn1cc(C[N@@H+](CCCN2CCOCC2)Cc2ccncc2)cc1C#N	ZINC000289717974	552367221	/nfs/dbraw/zinc/36/72/21/552367221.db2.gz	HBKSZLLMXYYKHF-UHFFFAOYSA-N	1	1	353.470	2.016	20	30		FEEDMO
CC[C@@](C)(C#N)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1	ZINC000290013960	552414012	/nfs/dbraw/zinc/41/40/12/552414012.db2.gz	GNPICNYIMFNGFT-IBGZPJMESA-N	1	1	353.426	2.315	20	30		FEEDMO
C=CCn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000290114546	552429573	/nfs/dbraw/zinc/42/95/73/552429573.db2.gz	FVNDMCHRJKDJLL-HNNXBMFYSA-N	1	1	356.474	2.149	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000290859181	552551307	/nfs/dbraw/zinc/55/13/07/552551307.db2.gz	RRXONABOZKOOQJ-DZGCQCFKSA-N	1	1	372.444	2.405	20	30		FEEDMO
C=CCN(CCC#N)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000291694962	552651880	/nfs/dbraw/zinc/65/18/80/552651880.db2.gz	FYYOPLZIEVTTBC-KRWDZBQOSA-N	1	1	355.442	2.070	20	30		FEEDMO
C=CCN(CCC#N)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000291694962	552651881	/nfs/dbraw/zinc/65/18/81/552651881.db2.gz	FYYOPLZIEVTTBC-KRWDZBQOSA-N	1	1	355.442	2.070	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@](CO)(c4ccccc4)C3)C2=O)cc1	ZINC000291898659	552673006	/nfs/dbraw/zinc/67/30/06/552673006.db2.gz	RBAYAXLORPXEKN-IFMALSPDSA-N	1	1	361.445	2.300	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1	ZINC000292048365	552688376	/nfs/dbraw/zinc/68/83/76/552688376.db2.gz	AQUJZVONZCZWPG-OXQOHEQNSA-N	1	1	356.445	2.078	20	30		FEEDMO
C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292387005	552722009	/nfs/dbraw/zinc/72/20/09/552722009.db2.gz	ZMGVTFIOVCKLOA-PBHICJAKSA-N	1	1	368.412	2.250	20	30		FEEDMO
C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292387005	552722010	/nfs/dbraw/zinc/72/20/10/552722010.db2.gz	ZMGVTFIOVCKLOA-PBHICJAKSA-N	1	1	368.412	2.250	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)C2)nc1	ZINC000292699909	552750695	/nfs/dbraw/zinc/75/06/95/552750695.db2.gz	QOWUHHMDTPLMME-MSOLQXFVSA-N	1	1	369.469	2.133	20	30		FEEDMO
C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCOCCC#N)CC1	ZINC000293266616	552805069	/nfs/dbraw/zinc/80/50/69/552805069.db2.gz	XSURSPCISPIFRJ-CQSZACIVSA-N	1	1	361.471	2.407	20	30		FEEDMO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+](C2CCC2)C1	ZINC000293434506	552823269	/nfs/dbraw/zinc/82/32/69/552823269.db2.gz	NZKKKTFWYVIVHO-CYBMUJFWSA-N	1	1	374.872	2.483	20	30		FEEDMO
C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)C2)C1	ZINC000293530798	552832765	/nfs/dbraw/zinc/83/27/65/552832765.db2.gz	ZNHJKKNQSIUUOO-GOSISDBHSA-N	1	1	360.845	2.094	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)c1cccs1	ZINC000294371584	552900973	/nfs/dbraw/zinc/90/09/73/552900973.db2.gz	LMBBEIXVUKNIGS-HNNXBMFYSA-N	1	1	367.471	2.481	20	30		FEEDMO
CC(C)(C#N)CNC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000501855417	561606818	/nfs/dbraw/zinc/60/68/18/561606818.db2.gz	NYRDFNPLCIPOIX-LJQANCHMSA-N	1	1	369.513	2.138	20	30		FEEDMO
CC(C)(CCC#N)CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000501859346	561606985	/nfs/dbraw/zinc/60/69/85/561606985.db2.gz	WYWCTCWSYXJKSU-GOSISDBHSA-N	1	1	358.486	2.382	20	30		FEEDMO
C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@H]1CCN2CCO[C@H]1C2	ZINC000295342581	552990477	/nfs/dbraw/zinc/99/04/77/552990477.db2.gz	ICHNVQKTZWOSDT-IRXDYDNUSA-N	1	1	354.372	2.342	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1	ZINC000295413460	553002493	/nfs/dbraw/zinc/00/24/93/553002493.db2.gz	SPCFUGONQGQTRG-ZDUSSCGKSA-N	1	1	356.470	2.151	20	30		FEEDMO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000296080346	553101664	/nfs/dbraw/zinc/10/16/64/553101664.db2.gz	XGIFKXUSZMIXEI-OAHLLOKOSA-N	1	1	355.490	2.175	20	30		FEEDMO
CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000296302682	553137669	/nfs/dbraw/zinc/13/76/69/553137669.db2.gz	VXSOYAVOJMJTFZ-OAHLLOKOSA-N	1	1	356.470	2.369	20	30		FEEDMO
Cc1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cn2cc[nH+]c12	ZINC000297093002	553252482	/nfs/dbraw/zinc/25/24/82/553252482.db2.gz	VTJXQQBJPBHGQT-UHFFFAOYSA-N	1	1	361.409	2.264	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H](O)c1cccc(Br)c1	ZINC000298542550	553438016	/nfs/dbraw/zinc/43/80/16/553438016.db2.gz	XPOPJOTYWMDADP-SWLSCSKDSA-N	1	1	368.275	2.175	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@H](O)c1cccc(Br)c1	ZINC000298542550	553438017	/nfs/dbraw/zinc/43/80/17/553438017.db2.gz	XPOPJOTYWMDADP-SWLSCSKDSA-N	1	1	368.275	2.175	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)OC)CC1	ZINC000299612849	553589197	/nfs/dbraw/zinc/58/91/97/553589197.db2.gz	CLCCBTIIUBPFSC-HNNXBMFYSA-N	1	1	360.479	2.121	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1	ZINC000299640899	553594115	/nfs/dbraw/zinc/59/41/15/553594115.db2.gz	DNPDORPQTCOFBD-IYBDPMFKSA-N	1	1	357.458	2.461	20	30		FEEDMO
C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000504445527	561658457	/nfs/dbraw/zinc/65/84/57/561658457.db2.gz	JTTWDXMWGIHKQP-MNOVXSKESA-N	1	1	369.874	2.094	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)C1CN(C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000504672620	561661127	/nfs/dbraw/zinc/66/11/27/561661127.db2.gz	BLOYVONHVDCRSU-FQEVSTJZSA-N	1	1	351.450	2.114	20	30		FEEDMO
C[C@@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC[N@H+]1CCO	ZINC000302474335	553717888	/nfs/dbraw/zinc/71/78/88/553717888.db2.gz	WMCUVCTZDGXBNN-GFCCVEGCSA-N	1	1	362.380	2.211	20	30		FEEDMO
N#Cc1nc(NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-]	ZINC000302721244	553728345	/nfs/dbraw/zinc/72/83/45/553728345.db2.gz	LKCBNUICDITCMU-UHFFFAOYSA-N	1	1	353.382	2.306	20	30		FEEDMO
Cc1nn(C(F)F)c(C)c1CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000328712283	553810765	/nfs/dbraw/zinc/81/07/65/553810765.db2.gz	NIQRPQKDOHVBPF-UHFFFAOYSA-N	1	1	357.449	2.420	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)c2csc([C@H]3CCCO3)n2)CC1(C)C	ZINC000328718274	553811634	/nfs/dbraw/zinc/81/16/34/553811634.db2.gz	PSUSCCJZXAXAAQ-CQSZACIVSA-N	1	1	352.504	2.325	20	30		FEEDMO
C[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](C)C1	ZINC000505786467	561680869	/nfs/dbraw/zinc/68/08/69/561680869.db2.gz	AOKNVVABLOWKRG-VCBZYWHSSA-N	1	1	351.491	2.485	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)CCC2CCCC2)CC1	ZINC000328815663	553826544	/nfs/dbraw/zinc/82/65/44/553826544.db2.gz	OHADGGVHQCQHOW-QGZVFWFLSA-N	1	1	350.507	2.109	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccnn2C)C1	ZINC000328817096	553826689	/nfs/dbraw/zinc/82/66/89/553826689.db2.gz	OWHKAJFVOYJODK-GMBSWORKSA-N	1	1	373.501	2.303	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000328815799	553826703	/nfs/dbraw/zinc/82/67/03/553826703.db2.gz	CQEFLUHJDDXSFC-UKRRQHHQSA-N	1	1	350.463	2.275	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000328815799	553826707	/nfs/dbraw/zinc/82/67/07/553826707.db2.gz	CQEFLUHJDDXSFC-UKRRQHHQSA-N	1	1	350.463	2.275	20	30		FEEDMO
CC(C)(C)N1C[C@H](C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1=O	ZINC000328838145	553830486	/nfs/dbraw/zinc/83/04/86/553830486.db2.gz	NPYVDOCXYMSDEH-FGTMMUONSA-N	1	1	373.497	2.225	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000328850045	553832420	/nfs/dbraw/zinc/83/24/20/553832420.db2.gz	WISYWWYSDWRBGK-HMDCTGQHSA-N	1	1	367.490	2.297	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000505930582	561685609	/nfs/dbraw/zinc/68/56/09/561685609.db2.gz	PSSBKGAMPCNLKM-CLCXKQKWSA-N	1	1	351.491	2.485	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)NCc1ccccc1CN1CCCC1=O	ZINC000329002989	553862468	/nfs/dbraw/zinc/86/24/68/553862468.db2.gz	LSLQUJGHXZDCMY-IAGOWNOFSA-N	1	1	372.513	2.290	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)[NH+]1CCOCC1	ZINC000329011608	553864008	/nfs/dbraw/zinc/86/40/08/553864008.db2.gz	ZZQJPRBCUSMHGN-KBAYOESNSA-N	1	1	364.490	2.201	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C[C@@H]1CCCCO1	ZINC000329032356	553867795	/nfs/dbraw/zinc/86/77/95/553867795.db2.gz	QBNLWSQALOHUOO-IBGZPJMESA-N	1	1	373.497	2.483	20	30		FEEDMO
C[N@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C[C@@H]1CCCCO1	ZINC000329032356	553867797	/nfs/dbraw/zinc/86/77/97/553867797.db2.gz	QBNLWSQALOHUOO-IBGZPJMESA-N	1	1	373.497	2.483	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C[N@H+]1Cc1ccccc1	ZINC000329112261	553882453	/nfs/dbraw/zinc/88/24/53/553882453.db2.gz	KMBZPFOUNMSATF-RBAQFSTRSA-N	1	1	373.497	2.491	20	30		FEEDMO
C[NH+]1CCN([C@H](C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c2ccccc2)CC1	ZINC000329134867	553887096	/nfs/dbraw/zinc/88/70/96/553887096.db2.gz	ZWMSRGBYOZWCQN-SVFBPWRDSA-N	1	1	373.497	2.270	20	30		FEEDMO
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C1	ZINC000329156204	553890822	/nfs/dbraw/zinc/89/08/22/553890822.db2.gz	VOFXEZZEHVVMIL-GPMSIDNRSA-N	1	1	362.474	2.335	20	30		FEEDMO
CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCO[C@]3(CCOC3)C2)C1	ZINC000329156204	553890824	/nfs/dbraw/zinc/89/08/24/553890824.db2.gz	VOFXEZZEHVVMIL-GPMSIDNRSA-N	1	1	362.474	2.335	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)C[N@H+](C)[C@H]2CCSC2)CCCN1C	ZINC000329159326	553891503	/nfs/dbraw/zinc/89/15/03/553891503.db2.gz	DFYMGWLZHZFWTE-RLFYNMQTSA-N	1	1	365.547	2.197	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)C[N@@H+](C)[C@H]2CCSC2)CCCN1C	ZINC000329159326	553891505	/nfs/dbraw/zinc/89/15/05/553891505.db2.gz	DFYMGWLZHZFWTE-RLFYNMQTSA-N	1	1	365.547	2.197	20	30		FEEDMO
CCOc1cccc(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)n1	ZINC000329164144	553892779	/nfs/dbraw/zinc/89/27/79/553892779.db2.gz	GTEFYMUHVIUYSO-SJORKVTESA-N	1	1	373.501	2.143	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F	ZINC000329167154	553893902	/nfs/dbraw/zinc/89/39/02/553893902.db2.gz	IEAHWHFJWUGADX-IOASZLSFSA-N	1	1	362.380	2.198	20	30		FEEDMO
C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O	ZINC000329196675	553900597	/nfs/dbraw/zinc/90/05/97/553900597.db2.gz	UWCZPRLBVMKPRY-QWRGUYRKSA-N	1	1	358.398	2.136	20	30		FEEDMO
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O	ZINC000329196675	553900599	/nfs/dbraw/zinc/90/05/99/553900599.db2.gz	UWCZPRLBVMKPRY-QWRGUYRKSA-N	1	1	358.398	2.136	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000329212947	553903584	/nfs/dbraw/zinc/90/35/84/553903584.db2.gz	IRDXATKENWDPGH-YVWKXTFCSA-N	1	1	361.486	2.349	20	30		FEEDMO
C[C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H]1C	ZINC000329253733	553911661	/nfs/dbraw/zinc/91/16/61/553911661.db2.gz	ZIVXOAQSHVCBOJ-BDXSIMOUSA-N	1	1	365.518	2.481	20	30		FEEDMO
CN(C(=O)CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)C1CCCCC1	ZINC000329262064	553912702	/nfs/dbraw/zinc/91/27/02/553912702.db2.gz	DFMPZDKAPBVRPZ-DOTOQJQBSA-N	1	1	350.507	2.108	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1	ZINC000329264238	553913758	/nfs/dbraw/zinc/91/37/58/553913758.db2.gz	BUCPQHYLVAKFDD-RYRKJORJSA-N	1	1	370.497	2.336	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000329284036	553917780	/nfs/dbraw/zinc/91/77/80/553917780.db2.gz	FWZNGNDSRDKRPP-SFHVURJKSA-N	1	1	374.485	2.359	20	30		FEEDMO
O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCc2c(ncn2-c2ccccc2)C1	ZINC000329293631	553918966	/nfs/dbraw/zinc/91/89/66/553918966.db2.gz	RSHOULUFHIHPNO-HNNXBMFYSA-N	1	1	362.437	2.425	20	30		FEEDMO
CC(=O)NC1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1	ZINC000329301604	553920963	/nfs/dbraw/zinc/92/09/63/553920963.db2.gz	MZKLUYCIWHOIAF-ODIFPOPNSA-N	1	1	366.506	2.373	20	30		FEEDMO
C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCc2nc3ccccc3n2C)CC1	ZINC000329349431	553929379	/nfs/dbraw/zinc/92/93/79/553929379.db2.gz	SQPVNESBYDDJLO-HNNXBMFYSA-N	1	1	355.486	2.241	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1	ZINC000329366953	553933410	/nfs/dbraw/zinc/93/34/10/553933410.db2.gz	KRFJPQQLQFVJLA-LJQANCHMSA-N	1	1	372.513	2.309	20	30		FEEDMO
COC1(C)CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1	ZINC000329390256	553937171	/nfs/dbraw/zinc/93/71/71/553937171.db2.gz	REPWYTSORQIDKX-UHFFFAOYSA-N	1	1	353.507	2.436	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1	ZINC000329430581	553945365	/nfs/dbraw/zinc/94/53/65/553945365.db2.gz	HPGMKWSISAUSAX-PMPSAXMXSA-N	1	1	364.490	2.380	20	30		FEEDMO
Cn1cc[nH+]c1N1CCC(NC(=O)C2CCN(CC(F)F)CC2)CC1	ZINC000329485839	553956002	/nfs/dbraw/zinc/95/60/02/553956002.db2.gz	GDKFZUSSVNIUII-UHFFFAOYSA-N	1	1	355.433	2.323	20	30		FEEDMO
N#Cc1cc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)ccc1F	ZINC000506757753	561707924	/nfs/dbraw/zinc/70/79/24/561707924.db2.gz	IHJVQYGEROGQHT-UHFFFAOYSA-N	1	1	373.350	2.424	20	30		FEEDMO
C[C@H](CNC(=O)[C@H]1CCCN1C(=O)C1CCCC1)C[NH+]1CCOCC1	ZINC000329652527	553982859	/nfs/dbraw/zinc/98/28/59/553982859.db2.gz	DKESBXIQDILUER-NVXWUHKLSA-N	1	1	351.491	2.092	20	30		FEEDMO
CC(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[C@H](C)C1	ZINC000329694994	553990748	/nfs/dbraw/zinc/99/07/48/553990748.db2.gz	CWWDJHSWCBOMLF-BFYDXBDKSA-N	1	1	350.507	2.106	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000329709110	553993025	/nfs/dbraw/zinc/99/30/25/553993025.db2.gz	LKUKFRWGAMXPTE-DZGCQCFKSA-N	1	1	365.499	2.223	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1	ZINC000329721536	553995653	/nfs/dbraw/zinc/99/56/53/553995653.db2.gz	DZSXKWYUZHYAPT-OCABDXPQSA-N	1	1	364.490	2.126	20	30		FEEDMO
CCc1nc(C)c([C@H](C)N(C)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)s1	ZINC000329824417	554013303	/nfs/dbraw/zinc/01/33/03/554013303.db2.gz	ZYKNRLLLITXMOV-KBPBESRZSA-N	1	1	353.536	2.167	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC[N@@H+]1C	ZINC000329844003	554017871	/nfs/dbraw/zinc/01/78/71/554017871.db2.gz	OHNGRLRHBODXPX-KGLIPLIRSA-N	1	1	362.478	2.352	20	30		FEEDMO
Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000329852744	554018861	/nfs/dbraw/zinc/01/88/61/554018861.db2.gz	RRCGWZNBUXUOQH-QBYUYEEZSA-N	1	1	363.506	2.277	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cc2n(n1)CCCO2	ZINC000329879638	554024130	/nfs/dbraw/zinc/02/41/30/554024130.db2.gz	MNCNYMMKCLXGAY-INIZCTEOSA-N	1	1	369.469	2.181	20	30		FEEDMO
Cn1nc(CC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c2ccccc2c1=O	ZINC000329895539	554026516	/nfs/dbraw/zinc/02/65/16/554026516.db2.gz	KMNZBPPKLNWMJS-HNNXBMFYSA-N	1	1	354.454	2.449	20	30		FEEDMO
CCN1C(=O)CC[C@H](C(=O)NCC[N@@H+]2CC=C(C)CC2)[C@@H]1c1cnn(C)c1	ZINC000329897077	554027036	/nfs/dbraw/zinc/02/70/36/554027036.db2.gz	LDACABMEXQPISV-HKUYNNGSSA-N	1	1	373.501	2.328	20	30		FEEDMO
CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000507361923	561726350	/nfs/dbraw/zinc/72/63/50/561726350.db2.gz	SHSCUTNFPUDMPN-YRNRMSPPSA-N	1	1	364.534	2.302	20	30		FEEDMO
CC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1	ZINC000329969928	554040883	/nfs/dbraw/zinc/04/08/83/554040883.db2.gz	XQIHNVSUDXPFKO-YQQAZPJKSA-N	1	1	364.515	2.255	20	30		FEEDMO
Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)no1	ZINC000329978415	554042842	/nfs/dbraw/zinc/04/28/42/554042842.db2.gz	HMZTZVAHKGLJSV-NEBZKDRISA-N	1	1	353.442	2.120	20	30		FEEDMO
CC(=O)N1CC[C@H](NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C1	ZINC000329980981	554043529	/nfs/dbraw/zinc/04/35/29/554043529.db2.gz	MJWLVGUUWUULAQ-APWZRJJASA-N	1	1	358.486	2.118	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)C1	ZINC000329986784	554044409	/nfs/dbraw/zinc/04/44/09/554044409.db2.gz	FPTRFSQGFAGQLB-APWZRJJASA-N	1	1	353.507	2.148	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCOC2(CCOCC2)C1	ZINC000330012806	554048899	/nfs/dbraw/zinc/04/88/99/554048899.db2.gz	LDUOAHDAXVIMHR-OAHLLOKOSA-N	1	1	373.457	2.255	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cn([C@@H]2CCOC2)nn1	ZINC000330074152	554059998	/nfs/dbraw/zinc/05/99/98/554059998.db2.gz	CRVBLWYFESLLBF-OIISXLGYSA-N	1	1	355.442	2.065	20	30		FEEDMO
CN1CCN(C)[C@@H](CNC(=O)Nc2cc(F)ccc2OCC2CC2)C1	ZINC000330101305	554064385	/nfs/dbraw/zinc/06/43/85/554064385.db2.gz	FJUUHQOMWHZBAC-HNNXBMFYSA-N	1	1	350.438	2.186	20	30		FEEDMO
O=C(CCC1CCCC1)N1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1	ZINC000330178447	554079568	/nfs/dbraw/zinc/07/95/68/554079568.db2.gz	DRPZMPGAYRCYKE-KRWDZBQOSA-N	1	1	373.501	2.227	20	30		FEEDMO
CCn1cc(-c2[nH]ncc2C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cn1	ZINC000330220596	554087738	/nfs/dbraw/zinc/08/77/38/554087738.db2.gz	KYADVMOCLOXQSA-CQSZACIVSA-N	1	1	372.473	2.099	20	30		FEEDMO
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@@H]1CCC[N@H+]1C1CC1	ZINC000330242065	554091760	/nfs/dbraw/zinc/09/17/60/554091760.db2.gz	FZKNQYFRFUZWGZ-KRWDZBQOSA-N	1	1	363.483	2.136	20	30		FEEDMO
Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000330254073	554093367	/nfs/dbraw/zinc/09/33/67/554093367.db2.gz	JHAFHYLTWIQENV-ZIAGYGMSSA-N	1	1	364.490	2.494	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)NCC[NH+]2CCCCC2)ccc1C(F)(F)F	ZINC000330368859	554112058	/nfs/dbraw/zinc/11/20/58/554112058.db2.gz	AQNLUENNJUIHEC-UHFFFAOYSA-N	1	1	361.389	2.341	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1	ZINC000330409226	554117912	/nfs/dbraw/zinc/11/79/12/554117912.db2.gz	JYTRTDQFFOZWSC-AEFFLSMTSA-N	1	1	364.515	2.109	20	30		FEEDMO
CC(C)C(=O)NC1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1	ZINC000330632264	554148849	/nfs/dbraw/zinc/14/88/49/554148849.db2.gz	HSZWQRZCGVGWDW-INIZCTEOSA-N	1	1	352.523	2.257	20	30		FEEDMO
CC(C)CNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O	ZINC000330915034	554187985	/nfs/dbraw/zinc/18/79/85/554187985.db2.gz	JPANFDYLQPKRJM-TWMKSMIVSA-N	1	1	353.507	2.324	20	30		FEEDMO
CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1	ZINC000330917213	554187995	/nfs/dbraw/zinc/18/79/95/554187995.db2.gz	VYSQJPVOHGVCOU-DZGCQCFKSA-N	1	1	353.488	2.161	20	30		FEEDMO
CCCCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O	ZINC000330920442	554188554	/nfs/dbraw/zinc/18/85/54/554188554.db2.gz	PESBDFJDMHPLCZ-YYIAUSFCSA-N	1	1	353.507	2.468	20	30		FEEDMO
CC(C)NC(=O)NC1(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CCCCC1	ZINC000331022930	554202937	/nfs/dbraw/zinc/20/29/37/554202937.db2.gz	TXLHBQDEMFCDAK-OAHLLOKOSA-N	1	1	350.507	2.368	20	30		FEEDMO
Cc1c(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cccc1[N+](=O)[O-]	ZINC000331085126	554210680	/nfs/dbraw/zinc/21/06/80/554210680.db2.gz	CHHXVUQVHMUHAN-ZDUSSCGKSA-N	1	1	364.446	2.094	20	30		FEEDMO
CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc(NC(C)=O)cc2Cl)CC1	ZINC000331121422	554216989	/nfs/dbraw/zinc/21/69/89/554216989.db2.gz	GIOAMYFCDYTWMM-CQSZACIVSA-N	1	1	368.865	2.232	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)CC[N@H+]1C[C@H](C)O	ZINC000331128382	554217991	/nfs/dbraw/zinc/21/79/91/554217991.db2.gz	IGHGUVRYBXQJBY-SWLSCSKDSA-N	1	1	366.437	2.107	20	30		FEEDMO
C[C@H](CC1CCCCC1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000331170285	554224763	/nfs/dbraw/zinc/22/47/63/554224763.db2.gz	VJGLZJNLODJILJ-OAHLLOKOSA-N	1	1	352.523	2.402	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C1	ZINC000331181307	554226915	/nfs/dbraw/zinc/22/69/15/554226915.db2.gz	XCJUQMHFIXCGIF-HZPDHXFCSA-N	1	1	373.563	2.168	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC[N@H+]1C[C@H](C)O	ZINC000331236931	554234580	/nfs/dbraw/zinc/23/45/80/554234580.db2.gz	HGAHYLIFGZDOMQ-DOTOQJQBSA-N	1	1	373.501	2.242	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+](C)CC(=O)N2CCC[C@@H](C(=O)OCC)C2)cc1	ZINC000508876658	561776169	/nfs/dbraw/zinc/77/61/69/561776169.db2.gz	YGKDRIFVSJBLTL-GOSISDBHSA-N	1	1	374.481	2.485	20	30		FEEDMO
C=CCOc1ccc(C[N@H+](C)CC(=O)N2CCC[C@@H](C(=O)OCC)C2)cc1	ZINC000508876658	561776171	/nfs/dbraw/zinc/77/61/71/561776171.db2.gz	YGKDRIFVSJBLTL-GOSISDBHSA-N	1	1	374.481	2.485	20	30		FEEDMO
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1	ZINC000509015219	561781445	/nfs/dbraw/zinc/78/14/45/561781445.db2.gz	USMSLWROOBDYEA-YESZJQIVSA-N	1	1	363.506	2.109	20	30		FEEDMO
C=CCn1c(-c2ccc[nH]2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000508952328	561779086	/nfs/dbraw/zinc/77/90/86/561779086.db2.gz	PONRLUBMANEATI-UHFFFAOYSA-N	1	1	358.490	2.254	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1	ZINC000331613964	554295019	/nfs/dbraw/zinc/29/50/19/554295019.db2.gz	KKDLTLQVHFYTLB-ATZDWAIDSA-N	1	1	356.470	2.370	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000332339585	554428421	/nfs/dbraw/zinc/42/84/21/554428421.db2.gz	DRTHUUDZRHBDPM-HUUCEWRRSA-N	1	1	358.461	2.465	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)c(OC(F)F)c1	ZINC000332471879	554452559	/nfs/dbraw/zinc/45/25/59/554452559.db2.gz	UZXDPZKIXWHECE-UHFFFAOYSA-N	1	1	350.369	2.149	20	30		FEEDMO
CC[NH+](CC)[C@@H](CNC(=O)N=c1[nH]n(C)cc1C#N)Cc1ccccc1	ZINC000610563721	554529994	/nfs/dbraw/zinc/52/99/94/554529994.db2.gz	KGLRUGJHIUEHLC-QGZVFWFLSA-N	1	1	354.458	2.366	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1=O	ZINC000510587904	561839836	/nfs/dbraw/zinc/83/98/36/561839836.db2.gz	AIVSSWIRPGVASZ-PMACEKPBSA-N	1	1	369.509	2.377	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1=O	ZINC000510587904	561839838	/nfs/dbraw/zinc/83/98/38/561839838.db2.gz	AIVSSWIRPGVASZ-PMACEKPBSA-N	1	1	369.509	2.377	20	30		FEEDMO
COCC1(C#N)CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000510619970	561840781	/nfs/dbraw/zinc/84/07/81/561840781.db2.gz	YBJQKDGONMTOLJ-UHFFFAOYSA-N	1	1	356.514	2.451	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@@H]1C	ZINC000611599745	554652435	/nfs/dbraw/zinc/65/24/35/554652435.db2.gz	JPAXYXOEAZJANQ-ZDUSSCGKSA-N	1	1	356.405	2.441	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000348626837	554692488	/nfs/dbraw/zinc/69/24/88/554692488.db2.gz	SWPDYTYHOFOLFE-NJAFHUGGSA-N	1	1	357.454	2.020	20	30		FEEDMO
COc1cc(C#N)ccc1OCc1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1	ZINC000350348286	554781804	/nfs/dbraw/zinc/78/18/04/554781804.db2.gz	GFGQEWDYZGXMHB-QFBILLFUSA-N	1	1	370.409	2.455	20	30		FEEDMO
COc1cc(C#N)ccc1OCc1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1	ZINC000350348286	554781805	/nfs/dbraw/zinc/78/18/05/554781805.db2.gz	GFGQEWDYZGXMHB-QFBILLFUSA-N	1	1	370.409	2.455	20	30		FEEDMO
Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)n1	ZINC000361305506	554915785	/nfs/dbraw/zinc/91/57/85/554915785.db2.gz	YOUAUZFSNNRDEI-ROUUACIJSA-N	1	1	350.422	2.398	20	30		FEEDMO
Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)n1	ZINC000361305506	554915787	/nfs/dbraw/zinc/91/57/87/554915787.db2.gz	YOUAUZFSNNRDEI-ROUUACIJSA-N	1	1	350.422	2.398	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCC#N	ZINC000363007285	555008922	/nfs/dbraw/zinc/00/89/22/555008922.db2.gz	FXJOKFLKEZHBPP-SLLSNFPASA-N	1	1	355.438	2.354	20	30		FEEDMO
CN(C(=O)C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1)c1ccccc1	ZINC000363209867	555054312	/nfs/dbraw/zinc/05/43/12/555054312.db2.gz	WTCPMXQDKBQELC-OAQYLSRUSA-N	1	1	368.481	2.170	20	30		FEEDMO
C=CCN(C(=O)c1cc(C(N)=O)c[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363311298	555075803	/nfs/dbraw/zinc/07/58/03/555075803.db2.gz	UIHWOBARZQEZBT-QGZVFWFLSA-N	1	1	352.438	2.016	20	30		FEEDMO
C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000363929291	555216337	/nfs/dbraw/zinc/21/63/37/555216337.db2.gz	ABHMEAHMHDUXPY-UHFFFAOYSA-N	1	1	358.461	2.216	20	30		FEEDMO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1	ZINC000363944161	555219256	/nfs/dbraw/zinc/21/92/56/555219256.db2.gz	KPLVQEZAAQAZPC-IRXDYDNUSA-N	1	1	370.453	2.051	20	30		FEEDMO
C#CCN(C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C1CCCC1	ZINC000363956750	555221629	/nfs/dbraw/zinc/22/16/29/555221629.db2.gz	CUPROMHRCATXHB-VQIMIIECSA-N	1	1	357.502	2.390	20	30		FEEDMO
C=C(C)C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(CO)o1	ZINC000512193660	561895533	/nfs/dbraw/zinc/89/55/33/561895533.db2.gz	ITHYIZDNKBLSCC-UHFFFAOYSA-N	1	1	354.406	2.446	20	30		FEEDMO
C=C(C)C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(CO)o1	ZINC000512193660	561895534	/nfs/dbraw/zinc/89/55/34/561895534.db2.gz	ITHYIZDNKBLSCC-UHFFFAOYSA-N	1	1	354.406	2.446	20	30		FEEDMO
C=CCN(Cc1cc(=O)n2nccc2[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364155699	555259777	/nfs/dbraw/zinc/25/97/77/555259777.db2.gz	GFPMFTDNEOIZEG-IBGZPJMESA-N	1	1	363.465	2.285	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)n1	ZINC000364449517	555316127	/nfs/dbraw/zinc/31/61/27/555316127.db2.gz	UYQRPEPSBKCNBK-GOSISDBHSA-N	1	1	365.481	2.485	20	30		FEEDMO
C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3CCC(C)(C#N)CC3)CC2)C1	ZINC000364746857	555392749	/nfs/dbraw/zinc/39/27/49/555392749.db2.gz	UQSSDMIQWYLJOE-KRWDZBQOSA-N	1	1	374.529	2.109	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CC[C@@H]2CN(C(C)=O)c3ccccc32)CC1	ZINC000364877927	555423304	/nfs/dbraw/zinc/42/33/04/555423304.db2.gz	GDQAQUYJJLUGAQ-GOSISDBHSA-N	1	1	353.466	2.084	20	30		FEEDMO
COC(=O)CCNC(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000364970906	555453396	/nfs/dbraw/zinc/45/33/96/555453396.db2.gz	XQNUTPJZIIWNCY-LBPRGKRZSA-N	1	1	372.450	2.012	20	30		FEEDMO
C=CCN(C(=O)COC[C@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000365325903	555543362	/nfs/dbraw/zinc/54/33/62/555543362.db2.gz	JFDDQNRPUFZHHC-VQTJNVASSA-N	1	1	358.482	2.329	20	30		FEEDMO
C=CCN(C(=O)COC[C@@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000365325902	555543485	/nfs/dbraw/zinc/54/34/85/555543485.db2.gz	JFDDQNRPUFZHHC-UXHICEINSA-N	1	1	358.482	2.329	20	30		FEEDMO
COC(=O)C[C@@](C)([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1cccc(F)c1	ZINC000513149441	561927195	/nfs/dbraw/zinc/92/71/95/561927195.db2.gz	KXBNFJRBMXWUFG-MOPGFXCFSA-N	1	1	363.433	2.248	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1	ZINC000365746079	555658067	/nfs/dbraw/zinc/65/80/67/555658067.db2.gz	HVMLIRBOLWADCY-VXKWHMMOSA-N	1	1	365.521	2.312	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1	ZINC000365746079	555658071	/nfs/dbraw/zinc/65/80/71/555658071.db2.gz	HVMLIRBOLWADCY-VXKWHMMOSA-N	1	1	365.521	2.312	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4ccnc(N)n4)C3)o2)cc1	ZINC000366005027	555725508	/nfs/dbraw/zinc/72/55/08/555725508.db2.gz	OOXOQLVEBYAWNG-HNNXBMFYSA-N	1	1	361.409	2.360	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4ccnc(N)n4)C3)o2)cc1	ZINC000366005027	555725510	/nfs/dbraw/zinc/72/55/10/555725510.db2.gz	OOXOQLVEBYAWNG-HNNXBMFYSA-N	1	1	361.409	2.360	20	30		FEEDMO
Cc1c(C#N)cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000513608540	561944346	/nfs/dbraw/zinc/94/43/46/561944346.db2.gz	JKAOWUNEWSYQDW-CTNGQTDRSA-N	1	1	363.461	2.480	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1	ZINC000367076281	556001233	/nfs/dbraw/zinc/00/12/33/556001233.db2.gz	LVZRJWCIGFANSC-OALUTQOASA-N	1	1	359.445	2.224	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1	ZINC000367076281	556001236	/nfs/dbraw/zinc/00/12/36/556001236.db2.gz	LVZRJWCIGFANSC-OALUTQOASA-N	1	1	359.445	2.224	20	30		FEEDMO
Cc1c[nH+]ccc1OC1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000514819371	561981327	/nfs/dbraw/zinc/98/13/27/561981327.db2.gz	DITGCOVMULDSKX-LJQANCHMSA-N	1	1	350.422	2.332	20	30		FEEDMO
C#CC[C@@]1(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CCCN1C(=O)OC(C)(C)C	ZINC000367723676	556123683	/nfs/dbraw/zinc/12/36/83/556123683.db2.gz	CSDHAKWZYNPAAL-VLIAUNLRSA-N	1	1	372.469	2.176	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC3CCC2CC3)CC1	ZINC000367763315	556132888	/nfs/dbraw/zinc/13/28/88/556132888.db2.gz	KUHHFVHYUYVFMO-JCYILVPMSA-N	1	1	358.511	2.331	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000367851267	556154522	/nfs/dbraw/zinc/15/45/22/556154522.db2.gz	XXWBGVNIRPUUTJ-HXUWFJFHSA-N	1	1	369.490	2.500	20	30		FEEDMO
CC(C)[C@@]1(CO)CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000368071076	556210981	/nfs/dbraw/zinc/21/09/81/556210981.db2.gz	SSDRUZSPTGDFHC-FQEVSTJZSA-N	1	1	367.453	2.023	20	30		FEEDMO
CC(C)[C@@]1(CO)CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000368071076	556210983	/nfs/dbraw/zinc/21/09/83/556210983.db2.gz	SSDRUZSPTGDFHC-FQEVSTJZSA-N	1	1	367.453	2.023	20	30		FEEDMO
C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000515184646	561999602	/nfs/dbraw/zinc/99/96/02/561999602.db2.gz	ANCBVOIEPILKJI-ATLSCFEFSA-N	1	1	356.470	2.490	20	30		FEEDMO
C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000515184646	561999603	/nfs/dbraw/zinc/99/96/03/561999603.db2.gz	ANCBVOIEPILKJI-ATLSCFEFSA-N	1	1	356.470	2.490	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2nnc(-c3ccccc3Cl)o2)CC1	ZINC000368825478	556423636	/nfs/dbraw/zinc/42/36/36/556423636.db2.gz	VWNAPBGEAXTDMO-UHFFFAOYSA-N	1	1	358.829	2.351	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([NH+]2CCN(CCC)CC2)CC1	ZINC000369153677	556519009	/nfs/dbraw/zinc/51/90/09/556519009.db2.gz	DNOGLOCWTVFVQY-IBGZPJMESA-N	1	1	364.578	2.292	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)N(C)[C@H](C)CC#N)cc1	ZINC000369212409	556537351	/nfs/dbraw/zinc/53/73/51/556537351.db2.gz	BLNFQNKPCNGILH-KGLIPLIRSA-N	1	1	361.471	2.310	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(C#N)cc2)n1	ZINC000369239577	556545190	/nfs/dbraw/zinc/54/51/90/556545190.db2.gz	GPYBYLMDSOGJSW-SFHVURJKSA-N	1	1	352.442	2.260	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(C#N)cc2)n1	ZINC000369239577	556545193	/nfs/dbraw/zinc/54/51/93/556545193.db2.gz	GPYBYLMDSOGJSW-SFHVURJKSA-N	1	1	352.442	2.260	20	30		FEEDMO
CC(C)c1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000369445804	556602086	/nfs/dbraw/zinc/60/20/86/556602086.db2.gz	ADRCWUVFEGORQS-OAHLLOKOSA-N	1	1	359.455	2.126	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Oc2cnccn2)CC1	ZINC000369681626	556667386	/nfs/dbraw/zinc/66/73/86/556667386.db2.gz	OGVKCZQMEUGJBN-HNNXBMFYSA-N	1	1	357.458	2.051	20	30		FEEDMO
CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1=O	ZINC000369804192	556699485	/nfs/dbraw/zinc/69/94/85/556699485.db2.gz	RYEYNDFWZOVNJM-IAGOWNOFSA-N	1	1	354.454	2.479	20	30		FEEDMO
CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1=O	ZINC000369804192	556699487	/nfs/dbraw/zinc/69/94/87/556699487.db2.gz	RYEYNDFWZOVNJM-IAGOWNOFSA-N	1	1	354.454	2.479	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NCc1cc(C#N)ccc1F	ZINC000369865283	556716778	/nfs/dbraw/zinc/71/67/78/556716778.db2.gz	YCFLLQRKOWMSBZ-LSBZLQRGSA-N	1	1	374.460	2.386	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000369937513	556735591	/nfs/dbraw/zinc/73/55/91/556735591.db2.gz	QHKVJQYGOVRGSE-IEBWSBKVSA-N	1	1	369.513	2.326	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)NCc2cccc(C#N)c2)C1	ZINC000369953071	556739596	/nfs/dbraw/zinc/73/95/96/556739596.db2.gz	WCZJXGSZZDFPST-OAQYLSRUSA-N	1	1	362.477	2.381	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c(C#N)c1C	ZINC000370014439	556758602	/nfs/dbraw/zinc/75/86/02/556758602.db2.gz	YYRFBJYKMXYALW-HIFRSBDPSA-N	1	1	355.442	2.393	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c(C#N)c1C	ZINC000370014439	556758603	/nfs/dbraw/zinc/75/86/03/556758603.db2.gz	YYRFBJYKMXYALW-HIFRSBDPSA-N	1	1	355.442	2.393	20	30		FEEDMO
C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C	ZINC000516514640	562045699	/nfs/dbraw/zinc/04/56/99/562045699.db2.gz	CEXHMYAGACHDMY-XHSDSOJGSA-N	1	1	351.495	2.107	20	30		FEEDMO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1	ZINC000516719374	562055714	/nfs/dbraw/zinc/05/57/14/562055714.db2.gz	UVQROPRDQVKTBE-LZLYRXPVSA-N	1	1	369.517	2.421	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000371232509	557114546	/nfs/dbraw/zinc/11/45/46/557114546.db2.gz	SPTNATPCPAXQON-UHFFFAOYSA-N	1	1	369.469	2.075	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000371282348	557130668	/nfs/dbraw/zinc/13/06/68/557130668.db2.gz	AJJWJJWOZVCMDM-SFHVURJKSA-N	1	1	353.426	2.236	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1	ZINC000371334053	557149585	/nfs/dbraw/zinc/14/95/85/557149585.db2.gz	DDTKYPIETUWGSD-BPQIPLTHSA-N	1	1	373.501	2.039	20	30		FEEDMO
C=CCc1cc(CN2CC[NH+](C3(C(N)=O)CCCC3)CC2)cc(OC)c1O	ZINC000371377047	557166442	/nfs/dbraw/zinc/16/64/42/557166442.db2.gz	APZWSQIEXVYOHI-UHFFFAOYSA-N	1	1	373.497	2.045	20	30		FEEDMO
Cn1cc([C@@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)c2ccccc2)cn1	ZINC000371709875	557271128	/nfs/dbraw/zinc/27/11/28/557271128.db2.gz	KLDRBXBJGAFPJL-NRFANRHFSA-N	1	1	359.433	2.287	20	30		FEEDMO
CN1CC[NH+](CC2(C)CCN(Cc3cnc4ccc(C#N)cn34)CC2)CC1	ZINC000371868859	557315198	/nfs/dbraw/zinc/31/51/98/557315198.db2.gz	CIQBRSZPLCKEDH-UHFFFAOYSA-N	1	1	366.513	2.055	20	30		FEEDMO
CC(C)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1	ZINC000372641645	557527781	/nfs/dbraw/zinc/52/77/81/557527781.db2.gz	UKDXYRJWEVXEOP-MRXNPFEDSA-N	1	1	372.469	2.106	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)cc1	ZINC000372858915	557576934	/nfs/dbraw/zinc/57/69/34/557576934.db2.gz	SPKOMFKUWDJZKY-WOJBJXKFSA-N	1	1	368.481	2.343	20	30		FEEDMO
CN1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1=O	ZINC000372902859	557585371	/nfs/dbraw/zinc/58/53/71/557585371.db2.gz	IZLBUXIWJHYUOR-LJQANCHMSA-N	1	1	374.872	2.485	20	30		FEEDMO
N#Cc1ccc(C[NH2+]CCCCN2CCN(c3ncccn3)CC2)cc1	ZINC000520215845	562150701	/nfs/dbraw/zinc/15/07/01/562150701.db2.gz	UJCPUGZXTLPVNH-UHFFFAOYSA-N	1	1	350.470	2.040	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+](CC(=O)NCCCC3CCCCC3)CC2)n1	ZINC000373407328	557688479	/nfs/dbraw/zinc/68/84/79/557688479.db2.gz	YHSYPEMXNWJVCG-UHFFFAOYSA-N	1	1	358.490	2.263	20	30		FEEDMO
COC(=O)[C@]12C[N@@H+](Cc3cccc(OCCCC#N)c3)C[C@H]1COCC2	ZINC000373484757	557702670	/nfs/dbraw/zinc/70/26/70/557702670.db2.gz	MDWATPIUVWBFKF-FXAWDEMLSA-N	1	1	358.438	2.381	20	30		FEEDMO
C=CCN(C(=O)[C@@H](OC)c1cnn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000373987028	557801535	/nfs/dbraw/zinc/80/15/35/557801535.db2.gz	WKAQBLPXRMZBJZ-PMACEKPBSA-N	1	1	368.481	2.397	20	30		FEEDMO
N#Cc1ccc2ncc(C[NH+]3CCC(C(=O)Nc4cccnc4)CC3)n2c1	ZINC000374286411	557858051	/nfs/dbraw/zinc/85/80/51/557858051.db2.gz	XVJZIVNVVJFWTK-UHFFFAOYSA-N	1	1	360.421	2.452	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)cc1	ZINC000374559278	557899789	/nfs/dbraw/zinc/89/97/89/557899789.db2.gz	FZZQKHHLCWHALI-IFMALSPDSA-N	1	1	366.461	2.324	20	30		FEEDMO
N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1	ZINC000374565428	557900616	/nfs/dbraw/zinc/90/06/16/557900616.db2.gz	GZFJXHZKGVBKRO-FUHWJXTLSA-N	1	1	353.422	2.327	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1	ZINC000374623461	557908242	/nfs/dbraw/zinc/90/82/42/557908242.db2.gz	WBSMQAOXYANSOD-HNNXBMFYSA-N	1	1	371.441	2.274	20	30		FEEDMO
COC(=O)[C@]12CCC[C@@H]1C[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2	ZINC000374645889	557911611	/nfs/dbraw/zinc/91/16/11/557911611.db2.gz	KCKWEICNXAZWBF-LBTNJELSSA-N	1	1	359.451	2.000	20	30		FEEDMO
N#Cc1ccc(C2(C(=O)NCC3([NH+]4CCOCC4)CCCC3)CC2)cc1	ZINC000376233593	558145315	/nfs/dbraw/zinc/14/53/15/558145315.db2.gz	VCVQQFYHQJPQHR-UHFFFAOYSA-N	1	1	353.466	2.351	20	30		FEEDMO
CC(C)(C#N)CCS(=O)(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000377835123	558431400	/nfs/dbraw/zinc/43/14/00/558431400.db2.gz	RAWLQSMHVRSSIZ-SFHVURJKSA-N	1	1	363.527	2.410	20	30		FEEDMO
C#Cc1ccccc1CC(=O)N1CCC([NH+]2CCN(CCC)CC2)CC1	ZINC000377930818	558449375	/nfs/dbraw/zinc/44/93/75/558449375.db2.gz	FHVYXVWGJLQDHG-UHFFFAOYSA-N	1	1	353.510	2.229	20	30		FEEDMO
CCc1nc(CN2CCC[C@@H]([N@@H+](C)C[C@H](O)c3ccc(C#N)cc3)C2)no1	ZINC000378142235	558489902	/nfs/dbraw/zinc/48/99/02/558489902.db2.gz	LTLVYFOLRPAXBZ-MSOLQXFVSA-N	1	1	369.469	2.133	20	30		FEEDMO
C#CC[C@@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1	ZINC000378275652	558517004	/nfs/dbraw/zinc/51/70/04/558517004.db2.gz	WJRZYUBULDMHQI-GOSISDBHSA-N	1	1	373.416	2.395	20	30		FEEDMO
N#Cc1cccc([C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)CCO2)c1	ZINC000378298562	558523123	/nfs/dbraw/zinc/52/31/23/558523123.db2.gz	GVQQUGQTEUEYPC-PMACEKPBSA-N	1	1	369.465	2.102	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1	ZINC000378447075	558559331	/nfs/dbraw/zinc/55/93/31/558559331.db2.gz	ACPLNFVRSGLZCY-MAUKXSAKSA-N	1	1	357.454	2.133	20	30		FEEDMO
Cc1cc(=NC(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)[nH]n1CCC#N	ZINC000378513450	558572933	/nfs/dbraw/zinc/57/29/33/558572933.db2.gz	SKRYUEMEQIGEBY-YOEHRIQHSA-N	1	1	372.498	2.981	20	30		FEEDMO
C[C@H]1C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)N1CCO	ZINC000378568028	558585258	/nfs/dbraw/zinc/58/52/58/558585258.db2.gz	WAOKYHFWPZDBBO-ROUUACIJSA-N	1	1	367.497	2.351	20	30		FEEDMO
COc1cccc([C@@H](CNS(=O)(=O)c2ccc(C#N)s2)[NH+](C)C)c1	ZINC000392245335	558616803	/nfs/dbraw/zinc/61/68/03/558616803.db2.gz	CXGYTZKPPIGODH-OAHLLOKOSA-N	1	1	365.480	2.210	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C#N	ZINC000394044923	558621718	/nfs/dbraw/zinc/62/17/18/558621718.db2.gz	LUENSUPCSIAKIY-GOSISDBHSA-N	1	1	370.478	2.205	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000394044923	558621720	/nfs/dbraw/zinc/62/17/20/558621720.db2.gz	LUENSUPCSIAKIY-GOSISDBHSA-N	1	1	370.478	2.205	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccccc1C[N@@H+](C)C(C)C	ZINC000409597135	558706598	/nfs/dbraw/zinc/70/65/98/558706598.db2.gz	RULATBMWRCRPOF-INIZCTEOSA-N	1	1	366.531	2.343	20	30		FEEDMO
C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1=O	ZINC000410116401	558739479	/nfs/dbraw/zinc/73/94/79/558739479.db2.gz	FLCICIRWCYVZIB-MOPGFXCFSA-N	1	1	355.482	2.286	20	30		FEEDMO
C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1=O	ZINC000410116401	558739480	/nfs/dbraw/zinc/73/94/80/558739480.db2.gz	FLCICIRWCYVZIB-MOPGFXCFSA-N	1	1	355.482	2.286	20	30		FEEDMO
C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1=O	ZINC000410122035	558739947	/nfs/dbraw/zinc/73/99/47/558739947.db2.gz	UQJKVAONQTUKCA-QZTJIDSGSA-N	1	1	359.445	2.035	20	30		FEEDMO
C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1=O	ZINC000410122035	558739949	/nfs/dbraw/zinc/73/99/49/558739949.db2.gz	UQJKVAONQTUKCA-QZTJIDSGSA-N	1	1	359.445	2.035	20	30		FEEDMO
Cc1cc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)n(CCC#N)n1	ZINC000524866363	562236321	/nfs/dbraw/zinc/23/63/21/562236321.db2.gz	LELJAQJOIWUNGE-SFHVURJKSA-N	1	1	367.453	2.335	20	30		FEEDMO
Cc1cc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n(CCC#N)n1	ZINC000524866363	562236322	/nfs/dbraw/zinc/23/63/22/562236322.db2.gz	LELJAQJOIWUNGE-SFHVURJKSA-N	1	1	367.453	2.335	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000410817506	558813869	/nfs/dbraw/zinc/81/38/69/558813869.db2.gz	XURQDBCOYZHQQL-NRFANRHFSA-N	1	1	355.482	2.146	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@H+](CC)[C@H](C)C3)cc2C1=O	ZINC000525397242	562247453	/nfs/dbraw/zinc/24/74/53/562247453.db2.gz	MNYFZILFORCYOI-ZBFHGGJFSA-N	1	1	369.465	2.413	20	30		FEEDMO
C[C@H](c1ccc(NC(=O)C(=O)NCC(C)(C)CC#N)cc1)[NH+]1CCOCC1	ZINC000411643363	558934706	/nfs/dbraw/zinc/93/47/06/558934706.db2.gz	IWDZDSDVACBSPP-OAHLLOKOSA-N	1	1	372.469	2.074	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](CC(N)=O)c1ccccc1	ZINC000411669034	558939816	/nfs/dbraw/zinc/93/98/16/558939816.db2.gz	QAONFYVKZINANU-SFHVURJKSA-N	1	1	350.422	2.435	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1	ZINC000411985151	558999268	/nfs/dbraw/zinc/99/92/68/558999268.db2.gz	RUVLEMCJZFUXCY-ZMYBRWDISA-N	1	1	362.433	2.086	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1	ZINC000527190516	562279597	/nfs/dbraw/zinc/27/95/97/562279597.db2.gz	FSHFNAMHMVHECV-QGZVFWFLSA-N	1	1	373.464	2.413	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC(n2c[nH+]cc2C)CC1	ZINC000416482134	559316449	/nfs/dbraw/zinc/31/64/49/559316449.db2.gz	WZTUGXJDBDLDCC-UHFFFAOYSA-N	1	1	360.439	2.098	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1C#N	ZINC000416931500	559339003	/nfs/dbraw/zinc/33/90/03/559339003.db2.gz	LQNYWBBAMJWZRY-GJZGRUSLSA-N	1	1	360.458	2.264	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](C)C[N@@H+]1CCO	ZINC000417174087	559351347	/nfs/dbraw/zinc/35/13/47/559351347.db2.gz	IDCGPVZRCDDXDO-OLZOCXBDSA-N	1	1	350.850	2.325	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](C)C[N@H+]1CCO	ZINC000417174087	559351348	/nfs/dbraw/zinc/35/13/48/559351348.db2.gz	IDCGPVZRCDDXDO-OLZOCXBDSA-N	1	1	350.850	2.325	20	30		FEEDMO
CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1n1cccn1	ZINC000419299596	559435880	/nfs/dbraw/zinc/43/58/80/559435880.db2.gz	YVCYNOLXUKSASM-MHORFTMASA-N	1	1	367.453	2.068	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2ccc(C#N)s2)C[C@H](C)O1	ZINC000420880682	559509144	/nfs/dbraw/zinc/50/91/44/559509144.db2.gz	DIDQVDPZILIUAN-BETUJISGSA-N	1	1	350.488	2.307	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C#N)s2)C[C@H](C)O1	ZINC000420880682	559509145	/nfs/dbraw/zinc/50/91/45/559509145.db2.gz	DIDQVDPZILIUAN-BETUJISGSA-N	1	1	350.488	2.307	20	30		FEEDMO
C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000421032468	559520931	/nfs/dbraw/zinc/52/09/31/559520931.db2.gz	WSYRIRPJCFPHIY-QAPCUYQASA-N	1	1	371.481	2.474	20	30		FEEDMO
C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000421032468	559520932	/nfs/dbraw/zinc/52/09/32/559520932.db2.gz	WSYRIRPJCFPHIY-QAPCUYQASA-N	1	1	371.481	2.474	20	30		FEEDMO
C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000421032469	559521063	/nfs/dbraw/zinc/52/10/63/559521063.db2.gz	WSYRIRPJCFPHIY-YJBOKZPZSA-N	1	1	371.481	2.474	20	30		FEEDMO
C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000421032469	559521064	/nfs/dbraw/zinc/52/10/64/559521064.db2.gz	WSYRIRPJCFPHIY-YJBOKZPZSA-N	1	1	371.481	2.474	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c(C#N)cn1CC	ZINC000421173675	559528746	/nfs/dbraw/zinc/52/87/46/559528746.db2.gz	MCXSNBCQAZEFJQ-TZMCWYRMSA-N	1	1	361.446	2.161	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)C(=O)COc1ccc(C#N)c(Br)c1	ZINC000421708874	559550290	/nfs/dbraw/zinc/55/02/90/559550290.db2.gz	BIITYNHBYFCJBU-CYBMUJFWSA-N	1	1	366.259	2.252	20	30		FEEDMO
N#Cc1cccc2c1CCN2C(=O)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000421967308	559558576	/nfs/dbraw/zinc/55/85/76/559558576.db2.gz	MJXGTYFSIRVRCH-UHFFFAOYSA-N	1	1	360.461	2.265	20	30		FEEDMO
CCN1CCC([N@@H+]2CCCN(C(=O)NCC#Cc3ccccc3)CC2)CC1	ZINC000422137769	559567381	/nfs/dbraw/zinc/56/73/81/559567381.db2.gz	AKLPYZJKHYUNTK-UHFFFAOYSA-N	1	1	368.525	2.240	20	30		FEEDMO
CCN1CCC([N@H+]2CCCN(C(=O)NCC#Cc3ccccc3)CC2)CC1	ZINC000422137769	559567382	/nfs/dbraw/zinc/56/73/82/559567382.db2.gz	AKLPYZJKHYUNTK-UHFFFAOYSA-N	1	1	368.525	2.240	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)NCc2ccc(C#N)s2)CC[N@H+]1CCOC	ZINC000422219639	559572186	/nfs/dbraw/zinc/57/21/86/559572186.db2.gz	OVCYGWGDKWMGGC-CQSZACIVSA-N	1	1	350.488	2.262	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1	ZINC000422493099	559591846	/nfs/dbraw/zinc/59/18/46/559591846.db2.gz	XMBUHLILKOBSRN-QGZVFWFLSA-N	1	1	373.497	2.058	20	30		FEEDMO
C=CCCn1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nn1	ZINC000424797184	559676859	/nfs/dbraw/zinc/67/68/59/559676859.db2.gz	QZIBZTHRGXCDNZ-WMZOPIPTSA-N	1	1	354.458	2.014	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C	ZINC000425386771	559699508	/nfs/dbraw/zinc/69/95/08/559699508.db2.gz	PUJKHXLCJSMHAI-LPHOPBHVSA-N	1	1	370.497	2.410	20	30		FEEDMO
COC(=O)c1cnc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)s1	ZINC000425493411	559705416	/nfs/dbraw/zinc/70/54/16/559705416.db2.gz	VJLZYWNBTOMVNV-NSHDSACASA-N	1	1	358.423	2.481	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](n3ccnn3)C2)c(OC)c1	ZINC000425497093	559705667	/nfs/dbraw/zinc/70/56/67/559705667.db2.gz	BYFLOAASGLAQAZ-ZWKOTPCHSA-N	1	1	372.469	2.092	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCCC[N@@H+](C)C1CC1	ZINC000425908028	559724848	/nfs/dbraw/zinc/72/48/48/559724848.db2.gz	FHHLCVZWNDDDLB-HNNXBMFYSA-N	1	1	356.470	2.068	20	30		FEEDMO
C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428811087	559783800	/nfs/dbraw/zinc/78/38/00/559783800.db2.gz	ZBXOVSVWQOOESA-LPHOPBHVSA-N	1	1	364.449	2.154	20	30		FEEDMO
C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428811087	559783801	/nfs/dbraw/zinc/78/38/01/559783801.db2.gz	ZBXOVSVWQOOESA-LPHOPBHVSA-N	1	1	364.449	2.154	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@]2(CC[N@@H+](C)C2)C1	ZINC000429012121	559788229	/nfs/dbraw/zinc/78/82/29/559788229.db2.gz	UJLXIECYHBVVIB-YJYMSZOUSA-N	1	1	358.511	2.463	20	30		FEEDMO
C=CC[C@@H](CO)CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000429036845	559789890	/nfs/dbraw/zinc/78/98/90/559789890.db2.gz	UVDBFSYWYIZJJJ-QZTJIDSGSA-N	1	1	363.527	2.088	20	30		FEEDMO
C=CC[C@@H](CO)CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429036845	559789891	/nfs/dbraw/zinc/78/98/91/559789891.db2.gz	UVDBFSYWYIZJJJ-QZTJIDSGSA-N	1	1	363.527	2.088	20	30		FEEDMO
COC(=O)[C@H]1CC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)[C@H]1C(C)C	ZINC000429353790	559796677	/nfs/dbraw/zinc/79/66/77/559796677.db2.gz	KSYQRJQBFICNQF-KKUMJFAQSA-N	1	1	361.467	2.245	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)[C@H]1C(C)C	ZINC000429353790	559796678	/nfs/dbraw/zinc/79/66/78/559796678.db2.gz	KSYQRJQBFICNQF-KKUMJFAQSA-N	1	1	361.467	2.245	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1C(C)C	ZINC000429373646	559797166	/nfs/dbraw/zinc/79/71/66/559797166.db2.gz	AFQDETNLGQVLRO-HKUYNNGSSA-N	1	1	357.454	2.453	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC[N@@H+]1CCO	ZINC000429453654	559798996	/nfs/dbraw/zinc/79/89/96/559798996.db2.gz	NYWIBPOPDAINTP-QGZVFWFLSA-N	1	1	364.449	2.012	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC[N@H+]1CCO	ZINC000429453654	559798997	/nfs/dbraw/zinc/79/89/97/559798997.db2.gz	NYWIBPOPDAINTP-QGZVFWFLSA-N	1	1	364.449	2.012	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000429926989	559808853	/nfs/dbraw/zinc/80/88/53/559808853.db2.gz	BAUUICDUVTYRTF-KGLIPLIRSA-N	1	1	366.487	2.224	20	30		FEEDMO
C[N@H+](CC(=O)NC(C)(C)C)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000435135465	559916840	/nfs/dbraw/zinc/91/68/40/559916840.db2.gz	QCFGJLSJKOIYIZ-UHFFFAOYSA-N	1	1	354.458	2.205	20	30		FEEDMO
C[N@@H+](CC(=O)NC(C)(C)C)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000435135465	559916841	/nfs/dbraw/zinc/91/68/41/559916841.db2.gz	QCFGJLSJKOIYIZ-UHFFFAOYSA-N	1	1	354.458	2.205	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1	ZINC000437418420	559964443	/nfs/dbraw/zinc/96/44/43/559964443.db2.gz	KUIOKCGJCSBZLI-HNNXBMFYSA-N	1	1	356.470	2.270	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCCC(C)(C)C1	ZINC000447420172	560161974	/nfs/dbraw/zinc/16/19/74/560161974.db2.gz	YKIDLOCLKBHVGA-UHFFFAOYSA-N	1	1	372.469	2.134	20	30		FEEDMO
C=CCOCCCC(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000447701458	560167571	/nfs/dbraw/zinc/16/75/71/560167571.db2.gz	RRYBWHNSLKWWQU-UHFFFAOYSA-N	1	1	359.430	2.268	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@H+]1C	ZINC000449942634	560245933	/nfs/dbraw/zinc/24/59/33/560245933.db2.gz	UTYIZOJXAVCNBQ-BPLDGKMQSA-N	1	1	374.872	2.163	20	30		FEEDMO
C=CCOc1ccc(CC(=O)N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)cc1	ZINC000449983980	560247164	/nfs/dbraw/zinc/24/71/64/560247164.db2.gz	FGPQURBVUWWIHF-AZUAARDMSA-N	1	1	358.482	2.363	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1	ZINC000450911307	560278013	/nfs/dbraw/zinc/27/80/13/560278013.db2.gz	WQZDNRMRBRDJJT-JKSUJKDBSA-N	1	1	359.426	2.123	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1	ZINC000450911307	560278014	/nfs/dbraw/zinc/27/80/14/560278014.db2.gz	WQZDNRMRBRDJJT-JKSUJKDBSA-N	1	1	359.426	2.123	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1	ZINC000451026987	560283045	/nfs/dbraw/zinc/28/30/45/560283045.db2.gz	MCDGWSMRSFJSOE-SJORKVTESA-N	1	1	360.502	2.414	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1	ZINC000451052701	560284788	/nfs/dbraw/zinc/28/47/88/560284788.db2.gz	BEIWFMZEXLDIFL-CYBMUJFWSA-N	1	1	355.891	2.416	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1	ZINC000451706006	560323391	/nfs/dbraw/zinc/32/33/91/560323391.db2.gz	JFOKBTBWXOAHKZ-RXVVDRJESA-N	1	1	356.514	2.495	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1c1ccccc1	ZINC000452000822	560344278	/nfs/dbraw/zinc/34/42/78/560344278.db2.gz	ZTRWFCKVDWWGOY-QTQZEZTPSA-N	1	1	371.481	2.318	20	30		FEEDMO
CN(C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)CC1(CC#N)CC1	ZINC000452093970	560350902	/nfs/dbraw/zinc/35/09/02/560350902.db2.gz	IDDOKHGAYJZQTE-UHFFFAOYSA-N	1	1	367.437	2.359	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1C#N	ZINC000452797835	560374527	/nfs/dbraw/zinc/37/45/27/560374527.db2.gz	OAUIDJFZWTVMHQ-AWEZNQCLSA-N	1	1	374.510	2.129	20	30		FEEDMO
CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H]2CCc3ccc(C#N)cc32)CC1	ZINC000453279527	560385315	/nfs/dbraw/zinc/38/53/15/560385315.db2.gz	QCXQQIGOQWXQFY-SSOJOUAXSA-N	1	1	360.479	2.322	20	30		FEEDMO
C=CCn1c([C@H]2CCCO2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000453416247	560386165	/nfs/dbraw/zinc/38/61/65/560386165.db2.gz	VLKJHVIXGVLLQW-MRXNPFEDSA-N	1	1	363.506	2.110	20	30		FEEDMO
C=CCn1c(N2CC[N@H+](CCOCC)[C@H](C)C2)nnc1[C@@]1(C)CCCO1	ZINC000453448038	560386763	/nfs/dbraw/zinc/38/67/63/560386763.db2.gz	XTCVSKHABULROR-VQIMIIECSA-N	1	1	363.506	2.037	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1	ZINC000453460969	560387220	/nfs/dbraw/zinc/38/72/20/560387220.db2.gz	FHNYGIPSNKXJHY-SJORKVTESA-N	1	1	363.506	2.253	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453610961	560391161	/nfs/dbraw/zinc/39/11/61/560391161.db2.gz	RFRPYALEAAARTL-CYBMUJFWSA-N	1	1	362.861	2.335	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)cc(C#N)c1	ZINC000453659190	560394152	/nfs/dbraw/zinc/39/41/52/560394152.db2.gz	BMECJZQGVHFERJ-KRWDZBQOSA-N	1	1	351.410	2.001	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1	ZINC000453718307	560399285	/nfs/dbraw/zinc/39/92/85/560399285.db2.gz	VZIGLQATVMGPQO-UHFFFAOYSA-N	1	1	365.437	2.020	20	30		FEEDMO
CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000453980382	560418786	/nfs/dbraw/zinc/41/87/86/560418786.db2.gz	RGFAIVKXBKKBKK-KRWDZBQOSA-N	1	1	372.469	2.227	20	30		FEEDMO
CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000453980382	560418787	/nfs/dbraw/zinc/41/87/87/560418787.db2.gz	RGFAIVKXBKKBKK-KRWDZBQOSA-N	1	1	372.469	2.227	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)C1	ZINC000455752516	560493856	/nfs/dbraw/zinc/49/38/56/560493856.db2.gz	JEAPXFIOBDSEHU-CYBMUJFWSA-N	1	1	351.838	2.085	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000455789009	560494738	/nfs/dbraw/zinc/49/47/38/560494738.db2.gz	GUNCYCYTOSTBDV-INIZCTEOSA-N	1	1	359.474	2.103	20	30		FEEDMO
CN1CCN(C)[C@@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1	ZINC000455789009	560494739	/nfs/dbraw/zinc/49/47/39/560494739.db2.gz	GUNCYCYTOSTBDV-INIZCTEOSA-N	1	1	359.474	2.103	20	30		FEEDMO
Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)ncc1C#N	ZINC000457446499	560567110	/nfs/dbraw/zinc/56/71/10/560567110.db2.gz	OXWMFHXWRFPCCY-QGZVFWFLSA-N	1	1	363.465	2.202	20	30		FEEDMO
Cc1[nH+]ccn1CC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000457768067	560586609	/nfs/dbraw/zinc/58/66/09/560586609.db2.gz	CCKDWHAUBHETRQ-QGZVFWFLSA-N	1	1	357.845	2.254	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1	ZINC000457970337	560597130	/nfs/dbraw/zinc/59/71/30/560597130.db2.gz	ADHWJQUVMRRVPT-LPHOPBHVSA-N	1	1	361.486	2.034	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1	ZINC000457970337	560597131	/nfs/dbraw/zinc/59/71/31/560597131.db2.gz	ADHWJQUVMRRVPT-LPHOPBHVSA-N	1	1	361.486	2.034	20	30		FEEDMO
C=CCC(C)(C)CNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000458807619	560649633	/nfs/dbraw/zinc/64/96/33/560649633.db2.gz	GJYLWBMQYNJFMJ-UHFFFAOYSA-N	1	1	364.534	2.174	20	30		FEEDMO
CN(CCOCc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1	ZINC000459328723	560680140	/nfs/dbraw/zinc/68/01/40/560680140.db2.gz	YKKYGMZFGDDMBA-GOSISDBHSA-N	1	1	358.486	2.448	20	30		FEEDMO
COc1cc(CCNC(=O)C[NH2+][C@@H]2CCC[C@H]2C#N)ccc1OC(F)F	ZINC000459450382	560687203	/nfs/dbraw/zinc/68/72/03/560687203.db2.gz	ACBFINRJMLBXDB-UONOGXRCSA-N	1	1	367.396	2.237	20	30		FEEDMO
CCNC(=O)C(C)(C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N	ZINC000459601179	560696978	/nfs/dbraw/zinc/69/69/78/560696978.db2.gz	WSWOFDYPAMTETO-CYBMUJFWSA-N	1	1	362.499	2.381	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000460023055	560729670	/nfs/dbraw/zinc/72/96/70/560729670.db2.gz	RVYYFKUNYSCNPC-IBGZPJMESA-N	1	1	373.497	2.008	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1	ZINC000460023055	560729671	/nfs/dbraw/zinc/72/96/71/560729671.db2.gz	RVYYFKUNYSCNPC-IBGZPJMESA-N	1	1	373.497	2.008	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1	ZINC000460804418	560752374	/nfs/dbraw/zinc/75/23/74/560752374.db2.gz	PWWCVZACNOMMHW-KRWDZBQOSA-N	1	1	374.533	2.446	20	30		FEEDMO
CC(C)[C@@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000461721851	560780226	/nfs/dbraw/zinc/78/02/26/560780226.db2.gz	AFNTWQYJLXPHJC-QINHECLXSA-N	1	1	371.481	2.282	20	30		FEEDMO
C[N@@H+](CCc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C#N)c1)C1CC1	ZINC000461775556	560782858	/nfs/dbraw/zinc/78/28/58/560782858.db2.gz	LAQZSPRDMULBIS-QAPCUYQASA-N	1	1	354.454	2.070	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)cc1	ZINC000461939258	560788882	/nfs/dbraw/zinc/78/88/82/560788882.db2.gz	WMMKGFGJIXWVMY-MOPGFXCFSA-N	1	1	351.454	2.468	20	30		FEEDMO
C[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cccc(C#N)c1	ZINC000462265317	560803682	/nfs/dbraw/zinc/80/36/82/560803682.db2.gz	HPWSJYROOWFNMA-XVSDAANHSA-N	1	1	366.509	2.431	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C	ZINC000463672196	560820841	/nfs/dbraw/zinc/82/08/41/560820841.db2.gz	IFVPTLMCAZGIMT-ZIAGYGMSSA-N	1	1	351.472	2.108	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000469456137	560955744	/nfs/dbraw/zinc/95/57/44/560955744.db2.gz	CPBHHFYTCATPIY-MISYRCLQSA-N	1	1	357.498	2.295	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CCC[N@H+](C(C)C)CC3)C2)n1	ZINC000471875883	561013463	/nfs/dbraw/zinc/01/34/63/561013463.db2.gz	KAWAKYCCIMHORL-IBGZPJMESA-N	1	1	369.513	2.421	20	30		FEEDMO
CC(C)OCC[C@H](O)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000472170662	561020161	/nfs/dbraw/zinc/02/01/61/561020161.db2.gz	ITJQLRVLBGHUSA-HNNXBMFYSA-N	1	1	374.441	2.104	20	30		FEEDMO
C=CCCC1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000475464411	561098104	/nfs/dbraw/zinc/09/81/04/561098104.db2.gz	WYEOYXBKXILTFL-UHFFFAOYSA-N	1	1	355.482	2.193	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1C	ZINC000476606162	561124073	/nfs/dbraw/zinc/12/40/73/561124073.db2.gz	QNIZBPCOCHCSGZ-OAHLLOKOSA-N	1	1	357.454	2.197	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@H]1C	ZINC000476606162	561124074	/nfs/dbraw/zinc/12/40/74/561124074.db2.gz	QNIZBPCOCHCSGZ-OAHLLOKOSA-N	1	1	357.454	2.197	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)C1	ZINC000476850713	561130109	/nfs/dbraw/zinc/13/01/09/561130109.db2.gz	KBTQVJBMMZHIRC-DLBZAZTESA-N	1	1	368.481	2.472	20	30		FEEDMO
CCc1cnc(N2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)s1	ZINC000528387048	562326251	/nfs/dbraw/zinc/32/62/51/562326251.db2.gz	CMXCAGGXCXVZFT-INIZCTEOSA-N	1	1	372.494	2.139	20	30		FEEDMO
C[N@H+](C[C@H](O)COc1ccccc1C#N)[C@H]1CCN(c2ccccc2)C1=O	ZINC000528414338	562327812	/nfs/dbraw/zinc/32/78/12/562327812.db2.gz	ADRZIEJLUYYKNQ-OALUTQOASA-N	1	1	365.433	2.035	20	30		FEEDMO
C[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@H]1CCN(c2ccccc2)C1=O	ZINC000528414338	562327813	/nfs/dbraw/zinc/32/78/13/562327813.db2.gz	ADRZIEJLUYYKNQ-OALUTQOASA-N	1	1	365.433	2.035	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](Cc2ccccc2)C1	ZINC000528436293	562329216	/nfs/dbraw/zinc/32/92/16/562329216.db2.gz	AYGKCKDWWPKRPF-VQTJNVASSA-N	1	1	352.434	2.241	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](Cc2ccccc2)C1	ZINC000528436293	562329217	/nfs/dbraw/zinc/32/92/17/562329217.db2.gz	AYGKCKDWWPKRPF-VQTJNVASSA-N	1	1	352.434	2.241	20	30		FEEDMO
CCC(C#N)(CC)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000528478153	562331341	/nfs/dbraw/zinc/33/13/41/562331341.db2.gz	PJCWRGCMPBUCTC-GOSISDBHSA-N	1	1	370.497	2.330	20	30		FEEDMO
COc1cccc2c1CC[N@@H+](C[C@H](O)COc1ccccc1C#N)CC2	ZINC000528480832	562331612	/nfs/dbraw/zinc/33/16/12/562331612.db2.gz	KTJXOWYHJHUOCI-SFHVURJKSA-N	1	1	352.434	2.407	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1F	ZINC000528480470	562331622	/nfs/dbraw/zinc/33/16/22/562331622.db2.gz	ZXMSLWSSORACOC-OAHLLOKOSA-N	1	1	351.447	2.383	20	30		FEEDMO
C[C@@H](CNC(=O)Cc1cccc(C#N)c1)[NH+]1CCN(c2ccccc2)CC1	ZINC000531386870	562444292	/nfs/dbraw/zinc/44/42/92/562444292.db2.gz	RKBXRUBYAJUXGC-SFHVURJKSA-N	1	1	362.477	2.428	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc3ccccc3c2)C1=O	ZINC000531706201	562454358	/nfs/dbraw/zinc/45/43/58/562454358.db2.gz	IYIRZBFJTHGUTB-ICSRJNTNSA-N	1	1	354.450	2.298	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000532320656	562473888	/nfs/dbraw/zinc/47/38/88/562473888.db2.gz	WKCAVJHMNVCDJP-ZDUSSCGKSA-N	1	1	369.437	2.189	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CCC(N)=O)C1	ZINC000533402645	562507486	/nfs/dbraw/zinc/50/74/86/562507486.db2.gz	KGTXIIAKIMMEPL-CQSZACIVSA-N	1	1	360.483	2.218	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CCC(N)=O)C1	ZINC000533402645	562507487	/nfs/dbraw/zinc/50/74/87/562507487.db2.gz	KGTXIIAKIMMEPL-CQSZACIVSA-N	1	1	360.483	2.218	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OCCO)CC1	ZINC000533803876	562518500	/nfs/dbraw/zinc/51/85/00/562518500.db2.gz	WSBJLRUARHNENJ-GFCCVEGCSA-N	1	1	351.834	2.012	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000534305915	562530882	/nfs/dbraw/zinc/53/08/82/562530882.db2.gz	LUQIULOZIFRXOM-SFHVURJKSA-N	1	1	373.453	2.391	20	30		FEEDMO
CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000534359256	562532630	/nfs/dbraw/zinc/53/26/30/562532630.db2.gz	HCBQSBPDICDUDK-MOPGFXCFSA-N	1	1	357.502	2.296	20	30		FEEDMO
COc1cc(C[N@H+](C)[C@@H]2CCNC2=O)ccc1OCc1cccc(C#N)c1	ZINC000534661576	562539554	/nfs/dbraw/zinc/53/95/54/562539554.db2.gz	QBCLWURADLOYEU-GOSISDBHSA-N	1	1	365.433	2.466	20	30		FEEDMO
COc1cc(C[N@@H+](C)[C@@H]2CCNC2=O)ccc1OCc1cccc(C#N)c1	ZINC000534661576	562539555	/nfs/dbraw/zinc/53/95/55/562539555.db2.gz	QBCLWURADLOYEU-GOSISDBHSA-N	1	1	365.433	2.466	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H](O)COc2ccc(Br)cc2C#N)C[C@@H](C)O1	ZINC000535156344	562552160	/nfs/dbraw/zinc/55/21/60/562552160.db2.gz	WCIBCZIQKSFCDO-LALPHHSUSA-N	1	1	369.259	2.170	20	30		FEEDMO
Cc1nnc(N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C#N)c1C	ZINC000536893721	562582043	/nfs/dbraw/zinc/58/20/43/562582043.db2.gz	PNZIWXXIQMYILW-GJZGRUSLSA-N	1	1	373.501	2.060	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000541951306	562624275	/nfs/dbraw/zinc/62/42/75/562624275.db2.gz	GIFHFFXXACVKGF-GDBMZVCRSA-N	1	1	357.376	2.383	20	30		FEEDMO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1	ZINC000546005240	562632635	/nfs/dbraw/zinc/63/26/35/562632635.db2.gz	HHGFZCRCBUGUIX-CQSZACIVSA-N	1	1	372.469	2.132	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[N@@H+](C)C1CC1	ZINC000555939983	674381949	/nfs/dbraw/zinc/38/19/49/674381949.db2.gz	GXXYECPUYOVJAB-NSHDSACASA-N	1	1	362.499	2.455	20	30		FEEDMO
N#CC1(C[C@@H](O)C[NH+]2CC(OCCCc3ccccc3)C2)CCOCC1	ZINC000601960342	567887065	/nfs/dbraw/zinc/88/70/65/567887065.db2.gz	VARKEGJTUYKBQX-LJQANCHMSA-N	1	1	358.482	2.391	20	30		FEEDMO
C[N@H+]1CC[C@H](CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1	ZINC000602144875	567936383	/nfs/dbraw/zinc/93/63/83/567936383.db2.gz	QLYTXLSSJSQKKE-CRAIPNDOSA-N	1	1	360.889	2.391	20	30		FEEDMO
C[N@H+]1CC[C@H](CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1	ZINC000602144877	567936394	/nfs/dbraw/zinc/93/63/94/567936394.db2.gz	QLYTXLSSJSQKKE-QAPCUYQASA-N	1	1	360.889	2.391	20	30		FEEDMO
O=C(NCC[N@@H+]1CC[C@@H](O)C1)Nc1cccc(C#Cc2cccs2)c1	ZINC000626250183	567970497	/nfs/dbraw/zinc/97/04/97/567970497.db2.gz	ANPFXNULXNKNJZ-QGZVFWFLSA-N	1	1	355.463	2.336	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1	ZINC000603209006	568073667	/nfs/dbraw/zinc/07/36/67/568073667.db2.gz	MMHYRKGFKQOPMV-HNAYVOBHSA-N	1	1	366.469	2.063	20	30		FEEDMO
COC(=O)CC[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1	ZINC000604525401	568306063	/nfs/dbraw/zinc/30/60/63/568306063.db2.gz	ZZKFZDCLNSCFSD-UHFFFAOYSA-N	1	1	357.454	2.394	20	30		FEEDMO
COC(=O)CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1	ZINC000604525401	568306064	/nfs/dbraw/zinc/30/60/64/568306064.db2.gz	ZZKFZDCLNSCFSD-UHFFFAOYSA-N	1	1	357.454	2.394	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000604541747	568309688	/nfs/dbraw/zinc/30/96/88/568309688.db2.gz	IQEARUQTZRPWLH-OALUTQOASA-N	1	1	358.461	2.409	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1	ZINC000569994128	568447821	/nfs/dbraw/zinc/44/78/21/568447821.db2.gz	PMWJWIVHRNEUMT-MSOLQXFVSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1	ZINC000569994128	568447822	/nfs/dbraw/zinc/44/78/22/568447822.db2.gz	PMWJWIVHRNEUMT-MSOLQXFVSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CCN1Cc1ccc(C#N)cc1	ZINC000737196514	598899693	/nfs/dbraw/zinc/89/96/93/598899693.db2.gz	NKDPCQVJQNOJKW-INIZCTEOSA-N	1	1	373.464	2.445	20	30		FEEDMO
N#Cc1ccnc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1Cl	ZINC000557625274	674457975	/nfs/dbraw/zinc/45/79/75/674457975.db2.gz	LFWMIIVJKSFAGI-IAGOWNOFSA-N	1	1	356.857	2.902	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1	ZINC000735390682	599310778	/nfs/dbraw/zinc/31/07/78/599310778.db2.gz	BRCOSQPPLYNCBS-AWEZNQCLSA-N	1	1	360.421	2.480	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)c1	ZINC000735390682	599310780	/nfs/dbraw/zinc/31/07/80/599310780.db2.gz	BRCOSQPPLYNCBS-AWEZNQCLSA-N	1	1	360.421	2.480	20	30		FEEDMO
Cc1ccnc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1C#N	ZINC000826310732	609527104	/nfs/dbraw/zinc/52/71/04/609527104.db2.gz	GKPQJDBPWXUYRY-UHFFFAOYSA-N	1	1	374.452	2.154	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1	ZINC000560777826	674616256	/nfs/dbraw/zinc/61/62/56/674616256.db2.gz	QQSCRKVRTNKSAY-INIZCTEOSA-N	1	1	363.527	2.499	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c(O)c(OC)c1	ZINC000814226806	674827114	/nfs/dbraw/zinc/82/71/14/674827114.db2.gz	KCBLFDQNIOIWGH-OAHLLOKOSA-N	1	1	353.484	2.386	20	30		FEEDMO
Cc1cc(Br)cc(C=NNCCC[NH+]2CCOCC2)c1O	ZINC000814923898	674889046	/nfs/dbraw/zinc/88/90/46/674889046.db2.gz	QQVDCMDGCBAVPT-UHFFFAOYSA-N	1	1	356.264	2.109	20	30		FEEDMO
CCCOc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cn1	ZINC000564857879	675068978	/nfs/dbraw/zinc/06/89/78/675068978.db2.gz	ZRPWJWGMIXHWBS-UHFFFAOYSA-N	1	1	359.451	2.306	20	30		FEEDMO
C#CCOc1ccc(Br)cc1CNCC[N@@H+](C)CCOC	ZINC000061376653	670394775	/nfs/dbraw/zinc/39/47/75/670394775.db2.gz	JVZLZEUFXPEPGG-UHFFFAOYSA-N	1	1	355.276	2.129	20	30		FEEDMO
C#CCOc1ccc(Br)cc1CNCC[N@H+](C)CCOC	ZINC000061376653	670394779	/nfs/dbraw/zinc/39/47/79/670394779.db2.gz	JVZLZEUFXPEPGG-UHFFFAOYSA-N	1	1	355.276	2.129	20	30		FEEDMO
C[NH+]=C(NCC1(N(C)C)CCOCC1)N(C)Cc1ccc(Cl)cc1	ZINC000088382338	670691245	/nfs/dbraw/zinc/69/12/45/670691245.db2.gz	PKKBAXMGMRXSDQ-UHFFFAOYSA-N	1	1	352.910	2.458	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+](CCO)CCN2CCOCC2)cc1Cl	ZINC000092186416	670735377	/nfs/dbraw/zinc/73/53/77/670735377.db2.gz	WLJUDZVEOBSJEH-UHFFFAOYSA-N	1	1	354.878	2.031	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000570737110	670761094	/nfs/dbraw/zinc/76/10/94/670761094.db2.gz	XQZBZSBLWALTNC-HNNXBMFYSA-N	1	1	365.499	2.223	20	30		FEEDMO
C[NH+]=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)NC(C)C	ZINC000113773242	670888288	/nfs/dbraw/zinc/88/82/88/670888288.db2.gz	LPQWJKKZVXJKBT-UHFFFAOYSA-N	1	1	351.252	2.308	20	30		FEEDMO
C[NH+]=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)NC(C)C	ZINC000113773242	670888298	/nfs/dbraw/zinc/88/82/98/670888298.db2.gz	LPQWJKKZVXJKBT-UHFFFAOYSA-N	1	1	351.252	2.308	20	30		FEEDMO
Cc1cc(CNS(=O)(=O)CCC(C)(C)C#N)cc(N2CCCC2)[nH+]1	ZINC000571964250	670945557	/nfs/dbraw/zinc/94/55/57/670945557.db2.gz	BEDUHWKRBNONSF-UHFFFAOYSA-N	1	1	350.488	2.350	20	30		FEEDMO
N#CCC(=O)N1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1	ZINC000573105116	671083351	/nfs/dbraw/zinc/08/33/51/671083351.db2.gz	IWEMKKRRMXQVQV-UHFFFAOYSA-N	1	1	369.252	2.380	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1	ZINC000576343993	671362096	/nfs/dbraw/zinc/36/20/96/671362096.db2.gz	NBURGNHGQBAYEN-VCBZYWHSSA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1	ZINC000576343993	671362101	/nfs/dbraw/zinc/36/21/01/671362101.db2.gz	NBURGNHGQBAYEN-VCBZYWHSSA-N	1	1	351.491	2.341	20	30		FEEDMO
C#CCOCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000151917796	672171523	/nfs/dbraw/zinc/17/15/23/672171523.db2.gz	UYNRXCFUHURKPG-MRXNPFEDSA-N	1	1	354.372	2.436	20	30		FEEDMO
CC(C)CCC(N)=[NH+]OCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1	ZINC000174129168	672358226	/nfs/dbraw/zinc/35/82/26/672358226.db2.gz	JRFRVNXZWOIFGR-MRXNPFEDSA-N	1	1	351.422	2.451	20	30		FEEDMO
C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1	ZINC000179210377	672399950	/nfs/dbraw/zinc/39/99/50/672399950.db2.gz	ZOKZEPCUAGKFQZ-CVEARBPZSA-N	1	1	351.491	2.400	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1	ZINC000589309740	672521517	/nfs/dbraw/zinc/52/15/17/672521517.db2.gz	FQAVLTFGLLFRPS-DLBZAZTESA-N	1	1	360.845	2.289	20	30		FEEDMO
CC(C)[C@H](C#N)N1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1	ZINC000611431808	676036893	/nfs/dbraw/zinc/03/68/93/676036893.db2.gz	BOINZJTVKCDZPV-HKUYNNGSSA-N	1	1	365.905	2.383	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@](O)(CC#N)C2)[C@H]1c1cccs1	ZINC000591965248	672727212	/nfs/dbraw/zinc/72/72/12/672727212.db2.gz	HKOMVBRPCDTMJQ-UWWQBHOKSA-N	1	1	362.499	2.191	20	30		FEEDMO
CC1(C)CN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1CCO	ZINC000682035398	672728952	/nfs/dbraw/zinc/72/89/52/672728952.db2.gz	WRUYWJAKTCDJMD-UHFFFAOYSA-N	1	1	356.388	2.325	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(CS(C)(=O)=O)o1)C(C)C	ZINC000263640876	672936863	/nfs/dbraw/zinc/93/68/63/672936863.db2.gz	AASIKIACMBWRNW-INIZCTEOSA-N	1	1	368.499	2.253	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(Br)cc3C#N)[C@H]2C1	ZINC000593589996	672952636	/nfs/dbraw/zinc/95/26/36/672952636.db2.gz	WPPPFVDUKIDWQG-LRDDRELGSA-N	1	1	362.271	2.416	20	30		FEEDMO
C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1nc(C(C)(C)C)cs1	ZINC000329417865	673077036	/nfs/dbraw/zinc/07/70/36/673077036.db2.gz	DNMYMJNWDOQCKO-STQMWFEESA-N	1	1	353.536	2.251	20	30		FEEDMO
O=C(N[C@H]1CC(=O)N(c2ccccc2Cl)C1)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000329451284	673077562	/nfs/dbraw/zinc/07/75/62/673077562.db2.gz	MZCMCCSTGGMWIY-UONOGXRCSA-N	1	1	362.861	2.139	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)ccc1F	ZINC000594854543	673164847	/nfs/dbraw/zinc/16/48/47/673164847.db2.gz	PZSDQHYMGNHKEZ-CQSZACIVSA-N	1	1	351.447	2.383	20	30		FEEDMO
C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1ccc(OCC#N)cc1	ZINC000729267021	673230802	/nfs/dbraw/zinc/23/08/02/673230802.db2.gz	HWALRIMPKYOPBC-AWEZNQCLSA-N	1	1	359.451	2.429	20	30		FEEDMO
N#Cc1sccc1N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1	ZINC000595496111	673257950	/nfs/dbraw/zinc/25/79/50/673257950.db2.gz	VPWUMIUDQWJXRG-GJZGRUSLSA-N	1	1	359.499	2.078	20	30		FEEDMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000595546200	673264046	/nfs/dbraw/zinc/26/40/46/673264046.db2.gz	LHDPITMBWFIERU-HNNXBMFYSA-N	1	1	361.515	2.182	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1	ZINC000730271114	673268585	/nfs/dbraw/zinc/26/85/85/673268585.db2.gz	LBRCAUHTSJJCHN-AWEZNQCLSA-N	1	1	352.381	2.353	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc(OC(F)F)c(OC)c1	ZINC000730271114	673268587	/nfs/dbraw/zinc/26/85/87/673268587.db2.gz	LBRCAUHTSJJCHN-AWEZNQCLSA-N	1	1	352.381	2.353	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1COCCO1	ZINC000595746041	673288609	/nfs/dbraw/zinc/28/86/09/673288609.db2.gz	ZUUSJUFGOROMGF-ZDUSSCGKSA-N	1	1	363.483	2.174	20	30		FEEDMO
C#CCOc1ccc(Br)cc1CN[C@@H]1CC[N@@H+](CCOC)C1	ZINC000730817534	673292711	/nfs/dbraw/zinc/29/27/11/673292711.db2.gz	QGUMCODZZUHXPL-MRXNPFEDSA-N	1	1	367.287	2.271	20	30		FEEDMO
C#CCOc1ccc(Br)cc1CN[C@@H]1CC[N@H+](CCOC)C1	ZINC000730817534	673292712	/nfs/dbraw/zinc/29/27/12/673292712.db2.gz	QGUMCODZZUHXPL-MRXNPFEDSA-N	1	1	367.287	2.271	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)nc1	ZINC000595787473	673325395	/nfs/dbraw/zinc/32/53/95/673325395.db2.gz	JDJLHWYKMCKKMY-SJORKVTESA-N	1	1	363.483	2.008	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)nc1	ZINC000595787473	673325397	/nfs/dbraw/zinc/32/53/97/673325397.db2.gz	JDJLHWYKMCKKMY-SJORKVTESA-N	1	1	363.483	2.008	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)nc1	ZINC000595787470	673325408	/nfs/dbraw/zinc/32/54/08/673325408.db2.gz	JDJLHWYKMCKKMY-DLBZAZTESA-N	1	1	363.483	2.008	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)nc1	ZINC000595787470	673325410	/nfs/dbraw/zinc/32/54/10/673325410.db2.gz	JDJLHWYKMCKKMY-DLBZAZTESA-N	1	1	363.483	2.008	20	30		FEEDMO
N#Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)sc1Cl	ZINC000596136368	673362161	/nfs/dbraw/zinc/36/21/61/673362161.db2.gz	SZXFTNPPPHOZPX-ZIAGYGMSSA-N	1	1	362.886	2.963	20	30		FEEDMO
C=CCCSCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000596719475	673406972	/nfs/dbraw/zinc/40/69/72/673406972.db2.gz	STZRQMWUWRFZAB-GOSISDBHSA-N	1	1	363.527	2.362	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(CC)CCSC	ZINC000597283313	673463342	/nfs/dbraw/zinc/46/33/42/673463342.db2.gz	CYGWDHWXZSUSTA-CABCVRRESA-N	1	1	351.520	2.189	20	30		FEEDMO
CC[C@H](C)CN(C)c1ccc(F)cc1C=[NH+]N[C@@H]1CCS(=O)(=O)C1	ZINC000734742577	673471640	/nfs/dbraw/zinc/47/16/40/673471640.db2.gz	AWSJACXCSXEIGB-XJKSGUPXSA-N	1	1	355.479	2.419	20	30		FEEDMO
C[C@H](CC#N)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1	ZINC000597741021	673503470	/nfs/dbraw/zinc/50/34/70/673503470.db2.gz	YRVHEHGJCCKXEK-LLVKDONJSA-N	1	1	366.263	2.084	20	30		FEEDMO
C=CC[C@@H](CO)CNC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000540409209	673537999	/nfs/dbraw/zinc/53/79/99/673537999.db2.gz	BBINQMJWZGZEJM-HZPDHXFCSA-N	1	1	351.516	2.444	20	30		FEEDMO
C[C@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)C[NH+]1CCOCC1	ZINC000737460188	673564985	/nfs/dbraw/zinc/56/49/85/673564985.db2.gz	OYGZDHNERYCCSU-GFCCVEGCSA-N	1	1	352.891	2.466	20	30		FEEDMO
C[N@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000598601965	673588146	/nfs/dbraw/zinc/58/81/46/673588146.db2.gz	YBYPDOLWDULAQF-ZIAGYGMSSA-N	1	1	368.275	2.208	20	30		FEEDMO
C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000598601965	673588147	/nfs/dbraw/zinc/58/81/47/673588147.db2.gz	YBYPDOLWDULAQF-ZIAGYGMSSA-N	1	1	368.275	2.208	20	30		FEEDMO
CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000598601069	673588187	/nfs/dbraw/zinc/58/81/87/673588187.db2.gz	DAWXZXPOACVYTB-SJORKVTESA-N	1	1	365.499	2.193	20	30		FEEDMO
C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CCN(CC(F)(F)F)CC1	ZINC000599434606	673675393	/nfs/dbraw/zinc/67/53/93/673675393.db2.gz	CTIWXMDIQCWKMT-OAHLLOKOSA-N	1	1	363.424	2.016	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)cc1OC	ZINC000600166910	673745698	/nfs/dbraw/zinc/74/56/98/673745698.db2.gz	JSBBUNXAQAIFCG-KGLIPLIRSA-N	1	1	369.845	2.269	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](C(=O)OC)C[C@H](O)C2)cc1OC	ZINC000600166910	673745700	/nfs/dbraw/zinc/74/57/00/673745700.db2.gz	JSBBUNXAQAIFCG-KGLIPLIRSA-N	1	1	369.845	2.269	20	30		FEEDMO
CC(C)(C)OCc1cc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)no1	ZINC000600737901	673795557	/nfs/dbraw/zinc/79/55/57/673795557.db2.gz	WUOXLPPNGDWNOW-OAHLLOKOSA-N	1	1	351.447	2.151	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N(CCOC)Cc1ccc(C#N)cc1	ZINC000745695332	673846770	/nfs/dbraw/zinc/84/67/70/673846770.db2.gz	MKSRCLBYSIAAEJ-GOSISDBHSA-N	1	1	360.527	2.365	20	30		FEEDMO
C[C@]12C[N@@H+](Cc3ccc(C#N)cc3C(F)(F)F)C[C@@]1(C)C(=O)NC2=O	ZINC000602725300	673910232	/nfs/dbraw/zinc/91/02/32/673910232.db2.gz	PBOYTZPWGSMJTK-IYBDPMFKSA-N	1	1	351.328	2.062	20	30		FEEDMO
CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1	ZINC000602894033	673913252	/nfs/dbraw/zinc/91/32/52/673913252.db2.gz	XEOMODKLUOLNFN-OAHLLOKOSA-N	1	1	354.376	2.455	20	30		FEEDMO
CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1	ZINC000602894033	673913253	/nfs/dbraw/zinc/91/32/53/673913253.db2.gz	XEOMODKLUOLNFN-OAHLLOKOSA-N	1	1	354.376	2.455	20	30		FEEDMO
CO[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@](C)(CO)C1	ZINC000602964734	673914758	/nfs/dbraw/zinc/91/47/58/673914758.db2.gz	SXUOAMDDXYDTOK-PBHICJAKSA-N	1	1	351.834	2.012	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603284277	673922227	/nfs/dbraw/zinc/92/22/27/673922227.db2.gz	KBNSRYNXBWPUOD-QGZVFWFLSA-N	1	1	364.515	2.413	20	30		FEEDMO
N#Cc1cc(N2CCC[C@@H]2C[NH+]2CCOCC2)ncc1Br	ZINC000603343002	673925724	/nfs/dbraw/zinc/92/57/24/673925724.db2.gz	HTDFGLWQMUXOOZ-CYBMUJFWSA-N	1	1	351.248	2.017	20	30		FEEDMO
CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819545127	675297659	/nfs/dbraw/zinc/29/76/59/675297659.db2.gz	XUSIRBRMGPBCKE-CABCVRRESA-N	1	1	352.479	2.126	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819545127	675297662	/nfs/dbraw/zinc/29/76/62/675297662.db2.gz	XUSIRBRMGPBCKE-CABCVRRESA-N	1	1	352.479	2.126	20	30		FEEDMO
C#CCN(CC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)C(=O)OC(C)(C)C	ZINC000821986749	675462406	/nfs/dbraw/zinc/46/24/06/675462406.db2.gz	WXTXGGMJODVLJJ-CVEARBPZSA-N	1	1	351.491	2.236	20	30		FEEDMO
C#C[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC	ZINC000824296899	675593931	/nfs/dbraw/zinc/59/39/31/675593931.db2.gz	KTCZWWXODARHQB-RYUDHWBXSA-N	1	1	353.260	2.416	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)c1	ZINC000825019194	675633756	/nfs/dbraw/zinc/63/37/56/675633756.db2.gz	XUTLPCIKGYMAAA-KRWDZBQOSA-N	1	1	362.495	2.040	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)c1	ZINC000825019194	675633757	/nfs/dbraw/zinc/63/37/57/675633757.db2.gz	XUTLPCIKGYMAAA-KRWDZBQOSA-N	1	1	362.495	2.040	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000619711366	676391556	/nfs/dbraw/zinc/39/15/56/676391556.db2.gz	UJQJQXPXWGZLDV-KRWDZBQOSA-N	1	1	364.515	2.063	20	30		FEEDMO
C[C@](O)(C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc(Br)cc1F	ZINC000829999184	677021017	/nfs/dbraw/zinc/02/10/17/677021017.db2.gz	YBNNYCWSLJGNJJ-LSDHHAIUSA-N	1	1	357.223	2.146	20	30		FEEDMO
CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCCOc2ccc(C#N)cc2)C1	ZINC000830675557	677054265	/nfs/dbraw/zinc/05/42/65/677054265.db2.gz	YCEHKSZLIFTPEH-INIZCTEOSA-N	1	1	355.360	2.328	20	30		FEEDMO
C=CCCn1cc(Cn2cc([C@H]([NH3+])c3ccc(Cl)cc3F)nn2)nn1	ZINC000641182110	677196215	/nfs/dbraw/zinc/19/62/15/677196215.db2.gz	KKIDXXZVTIWGKK-MRXNPFEDSA-N	1	1	361.812	2.335	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)Nc1ccc(OCCOC)c(Cl)c1	ZINC000838624341	680706699	/nfs/dbraw/zinc/70/66/99/680706699.db2.gz	SJEUAZPJRSZGEF-UHFFFAOYSA-N	1	1	353.850	2.442	20	30		FEEDMO
CCOC(=O)CC(C)(C)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000839012260	680732745	/nfs/dbraw/zinc/73/27/45/680732745.db2.gz	XXXKHUFIWPHIRG-KBPBESRZSA-N	1	1	353.463	2.314	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C	ZINC000839658496	680769755	/nfs/dbraw/zinc/76/97/55/680769755.db2.gz	URRIJPGBGCDDPR-AWEZNQCLSA-N	1	1	352.479	2.126	20	30		FEEDMO
C[N@@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000763410278	680782497	/nfs/dbraw/zinc/78/24/97/680782497.db2.gz	JOIPEMHZDGJTEP-OAHLLOKOSA-N	1	1	355.360	2.422	20	30		FEEDMO
C=CCn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000669062663	679218460	/nfs/dbraw/zinc/21/84/60/679218460.db2.gz	NVJRUKIIAUDPJA-MRXNPFEDSA-N	1	1	359.499	2.027	20	30		FEEDMO
C#CCC[NH+]1CCC(NS(=O)(=O)c2cc(C(C)=O)ccc2Cl)CC1	ZINC000840952042	680856555	/nfs/dbraw/zinc/85/65/55/680856555.db2.gz	PVEJKISJTGKJIV-UHFFFAOYSA-N	1	1	368.886	2.309	20	30		FEEDMO
C#CC[N@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)C1CCCCC1	ZINC000747814245	679904868	/nfs/dbraw/zinc/90/48/68/679904868.db2.gz	WXHYTEZYGSQWFX-LGMDPLHJSA-N	1	1	350.484	2.234	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1	ZINC000747820013	679905365	/nfs/dbraw/zinc/90/53/65/679905365.db2.gz	GZLHNYGTDVAJGC-CQSZACIVSA-N	1	1	361.873	2.437	20	30		FEEDMO
CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000748357430	679955546	/nfs/dbraw/zinc/95/55/46/679955546.db2.gz	DGHILDBCBNNHNK-QGZVFWFLSA-N	1	1	365.499	2.080	20	30		FEEDMO
C=CC[NH+]1CCC(Nc2nc(CS(C)(=O)=O)nc(Cl)c2CC)CC1	ZINC000749097578	680019871	/nfs/dbraw/zinc/01/98/71/680019871.db2.gz	LXOPPFMMAPHGQS-UHFFFAOYSA-N	1	1	372.922	2.299	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCc2c(F)cccc2F)C1	ZINC001015726474	680050595	/nfs/dbraw/zinc/05/05/95/680050595.db2.gz	NPKMALPKCCLOCP-JOQOYGCGSA-N	1	1	350.409	2.289	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2c(F)cccc2F)C1	ZINC001015726474	680050599	/nfs/dbraw/zinc/05/05/99/680050599.db2.gz	NPKMALPKCCLOCP-JOQOYGCGSA-N	1	1	350.409	2.289	20	30		FEEDMO
C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC001017133566	680070422	/nfs/dbraw/zinc/07/04/22/680070422.db2.gz	SLZODWFTZGHNEV-VCBZYWHSSA-N	1	1	359.495	2.327	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2csnn2)C1	ZINC001020714569	680113367	/nfs/dbraw/zinc/11/33/67/680113367.db2.gz	UIUOCFVQQLTYCE-YGJAXBLXSA-N	1	1	350.488	2.207	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1	ZINC000992955740	680138311	/nfs/dbraw/zinc/13/83/11/680138311.db2.gz	CWSUHJIWUUOKGX-VCBZYWHSSA-N	1	1	367.921	2.166	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21	ZINC000978721199	680179495	/nfs/dbraw/zinc/17/94/95/680179495.db2.gz	SMQHMGIYDBKXPJ-DZVNLGKHSA-N	1	1	357.479	2.005	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@@H](C)COC)C[C@]2(C)C1	ZINC000982282221	680274551	/nfs/dbraw/zinc/27/45/51/680274551.db2.gz	RCNOSBUHEOAXGU-SQIBXOBRSA-N	1	1	350.503	2.173	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCOCC1	ZINC001028192727	680372230	/nfs/dbraw/zinc/37/22/30/680372230.db2.gz	KMEYUXRIDLCPLI-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnsc2Cl)CC1	ZINC000998094110	680374994	/nfs/dbraw/zinc/37/49/94/680374994.db2.gz	FFUDZQPIVWCWPT-OCCSQVGLSA-N	1	1	370.906	2.111	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cnc(Cl)s2)C1	ZINC001028810138	680383425	/nfs/dbraw/zinc/38/34/25/680383425.db2.gz	XXQGWGGLSMIYAU-BNOWGMLFSA-N	1	1	355.891	2.326	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnc(Cl)s2)C1	ZINC001028810138	680383433	/nfs/dbraw/zinc/38/34/33/680383433.db2.gz	XXQGWGGLSMIYAU-BNOWGMLFSA-N	1	1	355.891	2.326	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](OC)C2CCCC2)C1	ZINC001031077278	680404399	/nfs/dbraw/zinc/40/43/99/680404399.db2.gz	LVQUPUSNNIHXOT-FHWLQOOXSA-N	1	1	350.503	2.363	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(OCC(F)(F)F)c1	ZINC000836221359	680437038	/nfs/dbraw/zinc/43/70/38/680437038.db2.gz	AKDSJBZMTQBNKW-UHFFFAOYSA-N	1	1	357.376	2.382	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(Br)c(F)c1	ZINC000836264327	680442440	/nfs/dbraw/zinc/44/24/40/680442440.db2.gz	NLUVVWXJJAITLP-UHFFFAOYSA-N	1	1	356.239	2.343	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC2CCCCC2)CCO1	ZINC001035371316	680445030	/nfs/dbraw/zinc/44/50/30/680445030.db2.gz	ZWZIZPMSHWUGMM-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CCOCC2)CC1	ZINC000985435046	680447814	/nfs/dbraw/zinc/44/78/14/680447814.db2.gz	GWQVKPQKUZFTBY-MOPGFXCFSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1	ZINC001035500494	680448150	/nfs/dbraw/zinc/44/81/50/680448150.db2.gz	UFVMFNXKMPJPMC-RRFJBIMHSA-N	1	1	350.409	2.461	20	30		FEEDMO
C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1	ZINC001035500494	680448152	/nfs/dbraw/zinc/44/81/52/680448152.db2.gz	UFVMFNXKMPJPMC-RRFJBIMHSA-N	1	1	350.409	2.461	20	30		FEEDMO
C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C2)C1	ZINC001041376750	680506175	/nfs/dbraw/zinc/50/61/75/680506175.db2.gz	VEQLYDLOLVEYFS-UXLLHSPISA-N	1	1	358.404	2.434	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3nc(C)cs3)C2)C1	ZINC001041696327	680508744	/nfs/dbraw/zinc/50/87/44/680508744.db2.gz	NYODGKGRTSGDEY-JTDSTZFVSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3nc(C)cs3)C2)C1	ZINC001041696327	680508745	/nfs/dbraw/zinc/50/87/45/680508745.db2.gz	NYODGKGRTSGDEY-JTDSTZFVSA-N	1	1	361.511	2.467	20	30		FEEDMO
C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C	ZINC001042511155	680533511	/nfs/dbraw/zinc/53/35/11/680533511.db2.gz	VRPRRTJDAXOJOG-GRYCIOLGSA-N	1	1	367.906	2.093	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1	ZINC001043096217	680560559	/nfs/dbraw/zinc/56/05/59/680560559.db2.gz	WWOKFINTXYTVBJ-YUSALJHKSA-N	1	1	353.879	2.021	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC001006189083	680598449	/nfs/dbraw/zinc/59/84/49/680598449.db2.gz	VUNAQDKOIDNNPQ-YWPYICTPSA-N	1	1	355.910	2.068	20	30		FEEDMO
Cc1c[nH+]cn1CC(=O)N[C@@H]1CCCC[C@H]1Nc1snc(C)c1C#N	ZINC001045676211	680637901	/nfs/dbraw/zinc/63/79/01/680637901.db2.gz	FTDWFWFVXMARRH-HUUCEWRRSA-N	1	1	358.471	2.368	20	30		FEEDMO
C#CCN(CC#CC)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000759327235	680642283	/nfs/dbraw/zinc/64/22/83/680642283.db2.gz	JGQUACZPCDJOBQ-LJQANCHMSA-N	1	1	355.507	2.272	20	30		FEEDMO
C#CCN(CC#CC)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000759327235	680642287	/nfs/dbraw/zinc/64/22/87/680642287.db2.gz	JGQUACZPCDJOBQ-LJQANCHMSA-N	1	1	355.507	2.272	20	30		FEEDMO
C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)CC2)C1	ZINC001046068778	680643554	/nfs/dbraw/zinc/64/35/54/680643554.db2.gz	TUQJBKHBWKGQFL-RCCFBDPRSA-N	1	1	357.523	2.012	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2cncs2)CCC1(F)F	ZINC001046973300	680655025	/nfs/dbraw/zinc/65/50/25/680655025.db2.gz	KWCLUJAPCYMSEY-CFVMTHIKSA-N	1	1	371.453	2.308	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2cncs2)CCC1(F)F	ZINC001046973300	680655027	/nfs/dbraw/zinc/65/50/27/680655027.db2.gz	KWCLUJAPCYMSEY-CFVMTHIKSA-N	1	1	371.453	2.308	20	30		FEEDMO
N#Cc1c2c(cn(CN3CC[NH+](Cc4cccs4)CC3)c1=O)CCC2	ZINC000766612589	680882544	/nfs/dbraw/zinc/88/25/44/680882544.db2.gz	XUPIEGMAQQVZQQ-UHFFFAOYSA-N	1	1	354.479	2.045	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(c2snc(Cl)c2C#N)[C@@H]1C	ZINC001051027096	681060828	/nfs/dbraw/zinc/06/08/28/681060828.db2.gz	KLWRJXDCJCNDSY-WZRBSPASSA-N	1	1	367.906	2.236	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)c3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001057052935	681158498	/nfs/dbraw/zinc/15/84/98/681158498.db2.gz	SIUYJTIPOLVGET-GRYCIOLGSA-N	1	1	367.906	2.045	20	30		FEEDMO
COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000773966253	681162467	/nfs/dbraw/zinc/16/24/67/681162467.db2.gz	WDWJGNIROBDSEM-RHSMWYFYSA-N	1	1	368.861	2.088	20	30		FEEDMO
COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000773966253	681162469	/nfs/dbraw/zinc/16/24/69/681162469.db2.gz	WDWJGNIROBDSEM-RHSMWYFYSA-N	1	1	368.861	2.088	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001059096711	681178695	/nfs/dbraw/zinc/17/86/95/681178695.db2.gz	NHFCTBPUXRFPJP-GMXVVIOVSA-N	1	1	367.906	2.411	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](Nc3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001059859098	681187100	/nfs/dbraw/zinc/18/71/00/681187100.db2.gz	MVOWLFACSHPPSX-SRRSOLGSSA-N	1	1	367.906	2.458	20	30		FEEDMO
C=C(Br)CNC(=O)C(=O)NCCC[N@H+](CC)C1CCCCC1	ZINC000846741981	681284171	/nfs/dbraw/zinc/28/41/71/681284171.db2.gz	AXIBIUPIDCKINM-UHFFFAOYSA-N	1	1	374.323	2.172	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)C1=O	ZINC000932709671	681294120	/nfs/dbraw/zinc/29/41/20/681294120.db2.gz	XIGYMMBREBGZCV-XHSDSOJGSA-N	1	1	351.491	2.256	20	30		FEEDMO
C[C@@H](C#N)OCC[N@@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000932712646	681294380	/nfs/dbraw/zinc/29/43/80/681294380.db2.gz	OTZMWCQEPYJTQZ-HNNXBMFYSA-N	1	1	353.463	2.017	20	30		FEEDMO
C[C@@H](C#N)OCC[N@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000932712646	681294385	/nfs/dbraw/zinc/29/43/85/681294385.db2.gz	OTZMWCQEPYJTQZ-HNNXBMFYSA-N	1	1	353.463	2.017	20	30		FEEDMO
C#C[C@H]1CCC[N@@H+](Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)C1	ZINC000847032869	681323117	/nfs/dbraw/zinc/32/31/17/681323117.db2.gz	VOYPGVNRPJCSLW-NSHDSACASA-N	1	1	353.348	2.387	20	30		FEEDMO
C#C[C@H]1CCC[N@H+](Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)C1	ZINC000847032869	681323120	/nfs/dbraw/zinc/32/31/20/681323120.db2.gz	VOYPGVNRPJCSLW-NSHDSACASA-N	1	1	353.348	2.387	20	30		FEEDMO
C#C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCCO1	ZINC000775784083	681334557	/nfs/dbraw/zinc/33/45/57/681334557.db2.gz	GSUQNYMBORHPCB-KGYLQXTDSA-N	1	1	352.337	2.106	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1C)[C@@H]1CCCO1	ZINC000775804549	681336731	/nfs/dbraw/zinc/33/67/31/681336731.db2.gz	ANPSTKOQPNZCHZ-HIFRSBDPSA-N	1	1	351.244	2.466	20	30		FEEDMO
C=CC1(CC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000933485826	681419814	/nfs/dbraw/zinc/41/98/14/681419814.db2.gz	HWCPBIRBMJAMGY-OAHLLOKOSA-N	1	1	351.491	2.352	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)CC(C)(C)C=NNC1CCS(=O)(=O)CC1	ZINC000776791606	681436365	/nfs/dbraw/zinc/43/63/65/681436365.db2.gz	ANCQVXBFKSSQAV-UHFFFAOYSA-N	1	1	351.516	2.297	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1	ZINC000933753882	681463707	/nfs/dbraw/zinc/46/37/07/681463707.db2.gz	AQBYBJICWDTWFK-FNFWKMNBSA-N	1	1	360.845	2.126	20	30		FEEDMO
CN(C)S(=O)(=O)c1cccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)c1	ZINC000848625043	681591193	/nfs/dbraw/zinc/59/11/93/681591193.db2.gz	GPVDYNDJUOADJP-AWEZNQCLSA-N	1	1	363.443	2.071	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H](C)N1CC(F)(F)F	ZINC000934790642	681634791	/nfs/dbraw/zinc/63/47/91/681634791.db2.gz	DEOFSOXLMXLREY-ZNMIVQPWSA-N	1	1	363.424	2.015	20	30		FEEDMO
C#CCN1C(=O)C(=NNc2cc[nH+]cc2)c2cc(Br)ccc21	ZINC000779810180	681755089	/nfs/dbraw/zinc/75/50/89/681755089.db2.gz	YPUKIOIWVIBBOS-UHFFFAOYSA-N	1	1	355.195	2.062	20	30		FEEDMO
C=CCCn1cc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)nn1	ZINC000850153645	681860495	/nfs/dbraw/zinc/86/04/95/681860495.db2.gz	JBBXJBJXGMCIRQ-OAHLLOKOSA-N	1	1	364.833	2.102	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)cs1	ZINC000913896273	685488010	/nfs/dbraw/zinc/48/80/10/685488010.db2.gz	MJVVULBMYDHYBY-UHFFFAOYSA-N	1	1	361.492	2.097	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)cs1	ZINC000913896273	685488011	/nfs/dbraw/zinc/48/80/11/685488011.db2.gz	MJVVULBMYDHYBY-UHFFFAOYSA-N	1	1	361.492	2.097	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nn(C)cc1Cl	ZINC000960138388	682029012	/nfs/dbraw/zinc/02/90/12/682029012.db2.gz	DDINYLWEFZIZNP-VBQJREDUSA-N	1	1	366.893	2.135	20	30		FEEDMO
C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1	ZINC000960305048	682038117	/nfs/dbraw/zinc/03/81/17/682038117.db2.gz	RIMDUYGQLOOBBL-YALNPMBYSA-N	1	1	361.873	2.012	20	30		FEEDMO
C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1	ZINC000940840293	682084410	/nfs/dbraw/zinc/08/44/10/682084410.db2.gz	UOAHSGNSCAJLRC-MCIONIFRSA-N	1	1	364.408	2.126	20	30		FEEDMO
CCC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cccc(F)c1	ZINC000783511244	682148078	/nfs/dbraw/zinc/14/80/78/682148078.db2.gz	DDAPLINITDQUHO-UHFFFAOYSA-N	1	1	352.479	2.126	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2csc(Cl)n2)C1	ZINC000968719065	682242370	/nfs/dbraw/zinc/24/23/70/682242370.db2.gz	HTMHCIHEGQFOGP-BNOWGMLFSA-N	1	1	355.891	2.468	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)c(F)c2)C1	ZINC000970448136	682298945	/nfs/dbraw/zinc/29/89/45/682298945.db2.gz	WMNSULRXNMEDDB-DWQUBVKVSA-N	1	1	350.409	2.492	20	30		FEEDMO
C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)C[C@]2(C)C1	ZINC000918369213	685538864	/nfs/dbraw/zinc/53/88/64/685538864.db2.gz	QWBUXLUAFZJECC-KDURUIRLSA-N	1	1	361.511	2.450	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CC(=O)NCC#N)[C@@H]1CCCNC(=O)OC(C)(C)C	ZINC000852597636	682305829	/nfs/dbraw/zinc/30/58/29/682305829.db2.gz	HADNUTUPRAALIP-HUUCEWRRSA-N	1	1	352.479	2.032	20	30		FEEDMO
C#CCC[N@H+](CCOC)C[C@H](O)COc1ccc(Br)cc1	ZINC000852752858	682335895	/nfs/dbraw/zinc/33/58/95/682335895.db2.gz	OLUSPIANIYJGFC-HNNXBMFYSA-N	1	1	356.260	2.161	20	30		FEEDMO
CN(CC[N@@H+]1CCOC(C)(C)C1)c1cc(Br)cnc1C#N	ZINC000853550342	682431611	/nfs/dbraw/zinc/43/16/11/682431611.db2.gz	GQCOYOKOUORSHD-UHFFFAOYSA-N	1	1	353.264	2.263	20	30		FEEDMO
CN(CC[N@H+]1CCOC(C)(C)C1)c1cc(Br)cnc1C#N	ZINC000853550342	682431615	/nfs/dbraw/zinc/43/16/15/682431615.db2.gz	GQCOYOKOUORSHD-UHFFFAOYSA-N	1	1	353.264	2.263	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC2)c1C#N	ZINC000788275488	682516430	/nfs/dbraw/zinc/51/64/30/682516430.db2.gz	NHKACPVZMUELNY-KRWDZBQOSA-N	1	1	359.861	2.109	20	30		FEEDMO
C=CCCS(=O)(=O)N1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1	ZINC000856549058	682792618	/nfs/dbraw/zinc/79/26/18/682792618.db2.gz	KBQKMAWVENVDGI-SFHVURJKSA-N	1	1	367.515	2.281	20	30		FEEDMO
C=CCCOCCCCC(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000926167586	683087168	/nfs/dbraw/zinc/08/71/68/683087168.db2.gz	TXEPEFFSNSTEDU-HNBVOPMISA-N	1	1	352.519	2.345	20	30		FEEDMO
CS(=O)(=O)NCC1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1	ZINC000796256676	683146453	/nfs/dbraw/zinc/14/64/53/683146453.db2.gz	WDOKNVHCFMEHEV-UHFFFAOYSA-N	1	1	371.890	2.004	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1	ZINC000928092772	683382134	/nfs/dbraw/zinc/38/21/34/683382134.db2.gz	JNBRYXDOOVBAPB-IRXDYDNUSA-N	1	1	361.536	2.487	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1	ZINC000928092772	683382139	/nfs/dbraw/zinc/38/21/39/683382139.db2.gz	JNBRYXDOOVBAPB-IRXDYDNUSA-N	1	1	361.536	2.487	20	30		FEEDMO
C[NH+]1CCN([C@H](C/N=C/c2ccc(O)c(O)c2O)c2cccs2)CC1	ZINC000920943707	683382333	/nfs/dbraw/zinc/38/23/33/683382333.db2.gz	FANCACJDWKPRGW-HIPSJFSSSA-N	1	1	361.467	2.273	20	30		FEEDMO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000928125363	683400039	/nfs/dbraw/zinc/40/00/39/683400039.db2.gz	QMMNAVAXXFZFQS-FVQBIDKESA-N	1	1	354.372	2.204	20	30		FEEDMO
C#CCO[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000928125363	683400046	/nfs/dbraw/zinc/40/00/46/683400046.db2.gz	QMMNAVAXXFZFQS-FVQBIDKESA-N	1	1	354.372	2.204	20	30		FEEDMO
C[C@@H]1[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@H+]1C	ZINC000928428055	683449142	/nfs/dbraw/zinc/44/91/42/683449142.db2.gz	MCUROOAYVXOUMJ-KFWWJZLASA-N	1	1	352.479	2.172	20	30		FEEDMO
Brc1cccc2c1CCC2=NNCCC[NH+]1CCOCC1	ZINC000799486535	683459805	/nfs/dbraw/zinc/45/98/05/683459805.db2.gz	FDAJQRJYRAYDSH-UHFFFAOYSA-N	1	1	352.276	2.411	20	30		FEEDMO
CC(C)(C)OC(=O)Nc1ncc(C=NNCCC[NH+]2CCOCC2)s1	ZINC000799888439	683505640	/nfs/dbraw/zinc/50/56/40/683505640.db2.gz	OZVZGEIAFRLNEF-UHFFFAOYSA-N	1	1	369.491	2.136	20	30		FEEDMO
Cc1cn2c(nc(C[N@@H+](C)C[C@@H](O)c3cccc(C#N)c3)cc2=O)s1	ZINC000930844535	683792106	/nfs/dbraw/zinc/79/21/06/683792106.db2.gz	CSOBMAKRGYQKOE-MRXNPFEDSA-N	1	1	354.435	2.102	20	30		FEEDMO
C=CC[C@H]1CC[N@H+](C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)C1	ZINC000931162398	683843479	/nfs/dbraw/zinc/84/34/79/683843479.db2.gz	ABOHYMREJWHWNW-LSDHHAIUSA-N	1	1	350.459	2.437	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](C2CC2)CC1	ZINC000865029747	683925284	/nfs/dbraw/zinc/92/52/84/683925284.db2.gz	MFGONPOWQJNVTJ-AWEZNQCLSA-N	1	1	357.882	2.329	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC[N@H+](C2CCC2)C1	ZINC000867299407	684240959	/nfs/dbraw/zinc/24/09/59/684240959.db2.gz	SZBKFEFRMQIQJR-CYBMUJFWSA-N	1	1	351.447	2.192	20	30		FEEDMO
C=CCCSCCNC(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000923228733	684245465	/nfs/dbraw/zinc/24/54/65/684245465.db2.gz	WZIRAEVHDLBSBZ-XLMAVXFVSA-N	1	1	355.548	2.075	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(cc2Br)OCO3)C1	ZINC000923550974	684304133	/nfs/dbraw/zinc/30/41/33/684304133.db2.gz	IMZQGVXIOMFIKN-NSHDSACASA-N	1	1	365.227	2.005	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(cc2Br)OCO3)C1	ZINC000923550974	684304139	/nfs/dbraw/zinc/30/41/39/684304139.db2.gz	IMZQGVXIOMFIKN-NSHDSACASA-N	1	1	365.227	2.005	20	30		FEEDMO
O=C(NCC#CCO)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1	ZINC000923773268	684348688	/nfs/dbraw/zinc/34/86/88/684348688.db2.gz	HVUPIIZWKCZLOZ-UHFFFAOYSA-N	1	1	370.280	2.253	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)c1	ZINC000931905388	684367588	/nfs/dbraw/zinc/36/75/88/684367588.db2.gz	FLXFDMMOECLENL-KRWDZBQOSA-N	1	1	362.495	2.040	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)C1	ZINC000932086736	684404818	/nfs/dbraw/zinc/40/48/18/684404818.db2.gz	JBWBUSCWIKCKJF-SECBINFHSA-N	1	1	363.771	2.311	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)C1	ZINC000932086736	684404822	/nfs/dbraw/zinc/40/48/22/684404822.db2.gz	JBWBUSCWIKCKJF-SECBINFHSA-N	1	1	363.771	2.311	20	30		FEEDMO
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)C1	ZINC000869778594	684654697	/nfs/dbraw/zinc/65/46/97/684654697.db2.gz	FIFCCWCSRLMTMQ-NSHDSACASA-N	1	1	356.253	2.440	20	30		FEEDMO
C[N@@H+](C[C@@H](O)c1cc(Br)no1)C[C@H](O)c1cccc(C#N)c1	ZINC000878802081	686664106	/nfs/dbraw/zinc/66/41/06/686664106.db2.gz	AQYDCXLASHBPJN-QWHCGFSZSA-N	1	1	366.215	2.008	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21	ZINC000879575782	686860818	/nfs/dbraw/zinc/86/08/18/686860818.db2.gz	OWORMDYGUMGIBS-CJNGLKHVSA-N	1	1	358.511	2.463	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H](c3nc(C)c(C(=O)OCC)s3)C2)C1=O	ZINC000880326082	687035705	/nfs/dbraw/zinc/03/57/05/687035705.db2.gz	ZGSFGIGHTPHSHI-KGLIPLIRSA-N	1	1	363.483	2.204	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CC[C@@H](c3nc(C)c(C(=O)OCC)s3)C2)C1=O	ZINC000880326082	687035707	/nfs/dbraw/zinc/03/57/07/687035707.db2.gz	ZGSFGIGHTPHSHI-KGLIPLIRSA-N	1	1	363.483	2.204	20	30		FEEDMO
CO[C@H]1COCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000880430393	687047715	/nfs/dbraw/zinc/04/77/15/687047715.db2.gz	MFUHJLKQXHUCIA-CVEARBPZSA-N	1	1	351.834	2.276	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Br)c(C#N)n2)C1	ZINC000883087397	687560683	/nfs/dbraw/zinc/56/06/83/687560683.db2.gz	VTYFWRHEJOORQW-JTQLQIEISA-N	1	1	352.236	2.179	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)Nc2ccc(Br)c(C#N)n2)CC[N@H+]1C	ZINC000883092290	687562309	/nfs/dbraw/zinc/56/23/09/687562309.db2.gz	LDQQLSXLZLHLMR-UWVGGRQHSA-N	1	1	352.236	2.320	20	30		FEEDMO
CN(C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(Cl)cc1	ZINC000884231153	687824823	/nfs/dbraw/zinc/82/48/23/687824823.db2.gz	KHULKNWJMQEJPE-QXCFYTAISA-N	1	1	360.889	2.198	20	30		FEEDMO
N#Cc1sc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nc1Cl	ZINC000888414168	688607692	/nfs/dbraw/zinc/60/76/92/688607692.db2.gz	OUZYTFYAPBOLPO-GHMZBOCLSA-N	1	1	369.878	2.433	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)N2CCSC[C@@H]2c2nccs2)C1	ZINC000890366703	688911157	/nfs/dbraw/zinc/91/11/57/688911157.db2.gz	CIGLNNTUHUTJTR-UONOGXRCSA-N	1	1	350.513	2.040	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCSC[C@@H]2c2nccs2)C1	ZINC000890366703	688911161	/nfs/dbraw/zinc/91/11/61/688911161.db2.gz	CIGLNNTUHUTJTR-UONOGXRCSA-N	1	1	350.513	2.040	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)N(C)Cc1cc(C#N)cs1)N1CC[NH+](C)CC1	ZINC000891752421	689101394	/nfs/dbraw/zinc/10/13/94/689101394.db2.gz	IRGKTBQTXCHSHO-QGZVFWFLSA-N	1	1	363.531	2.033	20	30		FEEDMO
C[C@H]1[C@H](NC(=O)NCc2nc(C#N)cs2)CC[N@H+]1Cc1ccccc1	ZINC000894884961	689613872	/nfs/dbraw/zinc/61/38/72/689613872.db2.gz	MSMNOAVGUAZKAU-XJKSGUPXSA-N	1	1	355.467	2.477	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccccc1N[C@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000895565761	689735850	/nfs/dbraw/zinc/73/58/50/689735850.db2.gz	XYIDRCXRHRGJGQ-GOEBONIOSA-N	1	1	367.540	2.143	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccccc1N[C@H]1CCC[N@H+]2CCSC[C@H]12	ZINC000895565761	689735855	/nfs/dbraw/zinc/73/58/55/689735855.db2.gz	XYIDRCXRHRGJGQ-GOEBONIOSA-N	1	1	367.540	2.143	20	30		FEEDMO
Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)c2cc(C#N)ccn2)c(C)s1	ZINC000902881963	690816523	/nfs/dbraw/zinc/81/65/23/690816523.db2.gz	NNHDHKMGYFMVCM-GFCCVEGCSA-N	1	1	364.496	2.261	20	30		FEEDMO
COc1ccnc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1C#N	ZINC001164650445	719310123	/nfs/dbraw/zinc/31/01/23/719310123.db2.gz	YIIASTJYKBJBMY-UHFFFAOYSA-N	1	1	354.458	2.364	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@H]21	ZINC001164667746	719480605	/nfs/dbraw/zinc/48/06/05/719480605.db2.gz	MPYMHGMVZPTJHE-GDBMZVCRSA-N	1	1	371.828	2.313	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nnc(Cl)cc1C#N)C2	ZINC001164815701	720089664	/nfs/dbraw/zinc/08/96/64/720089664.db2.gz	ZELMUHMCGNTLLB-QAPCUYQASA-N	1	1	361.877	2.186	20	30		FEEDMO
Cc1cc(C#N)cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1	ZINC001164816024	720242672	/nfs/dbraw/zinc/24/26/72/720242672.db2.gz	FLPQHPXYLFBMMR-UHFFFAOYSA-N	1	1	366.469	2.069	20	30		FEEDMO
N#Cc1nc(Cl)c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1C#N	ZINC001164722982	720384796	/nfs/dbraw/zinc/38/47/96/720384796.db2.gz	FHQQZJLGDVOZFK-CVEARBPZSA-N	1	1	365.828	2.122	20	30		FEEDMO
N#Cc1nc(Cl)c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1C#N	ZINC001164722982	720384807	/nfs/dbraw/zinc/38/48/07/720384807.db2.gz	FHQQZJLGDVOZFK-CVEARBPZSA-N	1	1	365.828	2.122	20	30		FEEDMO
N#Cc1ccc2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1	ZINC001164741599	720675504	/nfs/dbraw/zinc/67/55/04/720675504.db2.gz	UHRUFVVHCAJLGU-ZWKOTPCHSA-N	1	1	372.432	2.238	20	30		FEEDMO
N#Cc1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1	ZINC001164870019	721052183	/nfs/dbraw/zinc/05/21/83/721052183.db2.gz	VHTDWUQXGDLERV-DLBZAZTESA-N	1	1	369.856	2.481	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(C#N)cc4Cl)C[C@@H]3C2)cn1	ZINC001164765795	721081158	/nfs/dbraw/zinc/08/11/58/721081158.db2.gz	JUTQTOJCEBBVSC-HOTGVXAUSA-N	1	1	356.861	2.298	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc(Cl)c4C#N)C[C@H]3C2)cn1	ZINC001164762833	721095721	/nfs/dbraw/zinc/09/57/21/721095721.db2.gz	FIEFEWZCECTACI-LSDHHAIUSA-N	1	1	356.861	2.298	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc(Cl)c4C#N)C[C@H]3C2)cn1	ZINC001164762826	721096387	/nfs/dbraw/zinc/09/63/87/721096387.db2.gz	FIEFEWZCECTACI-HUUCEWRRSA-N	1	1	356.861	2.298	20	30		FEEDMO
Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(C#N)n1	ZINC001164903347	721539320	/nfs/dbraw/zinc/53/93/20/721539320.db2.gz	CDFBZGAKXSZZTQ-RDJZCZTQSA-N	1	1	353.401	2.138	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2C#N)[C@@H]2CCCO[C@H]12	ZINC001164811153	721542479	/nfs/dbraw/zinc/54/24/79/721542479.db2.gz	YWRBRNJIUOIKHB-AQNXPRMDSA-N	1	1	374.448	2.088	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2C#N)[C@@H]2CCCO[C@H]12	ZINC001164811153	721542482	/nfs/dbraw/zinc/54/24/82/721542482.db2.gz	YWRBRNJIUOIKHB-AQNXPRMDSA-N	1	1	374.448	2.088	20	30		FEEDMO
C=CC[NH+]1CCN(c2nc(C(=O)OC)ccc2NC(=O)C(C)(C)C)CC1	ZINC001165032472	721869266	/nfs/dbraw/zinc/86/92/66/721869266.db2.gz	UWSZDTUJVIQRDC-UHFFFAOYSA-N	1	1	360.458	2.161	20	30		FEEDMO
C=CCNC(=O)c1cccnc1N1CC[NH+](CCOc2ccccc2)CC1	ZINC001165044443	721959472	/nfs/dbraw/zinc/95/94/72/721959472.db2.gz	LNMFLRFYJFQKLD-UHFFFAOYSA-N	1	1	366.465	2.198	20	30		FEEDMO
N#Cc1c(F)ccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164979212	722126741	/nfs/dbraw/zinc/12/67/41/722126741.db2.gz	POVJIDWZPQWWOK-LPHOPBHVSA-N	1	1	367.428	2.215	20	30		FEEDMO
N#Cc1cc(NCC[NH+]2CCN(c3ncccn3)CC2)nc2ccccc12	ZINC000535259557	867538075	/nfs/dbraw/zinc/53/80/75/867538075.db2.gz	DNXOVGBKOFTMNB-UHFFFAOYSA-N	1	1	359.437	2.131	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc2C1=O	ZINC000008351452	539484994	/nfs/dbraw/zinc/48/49/94/539484994.db2.gz	OCFNJXPDBQDNJO-HNNXBMFYSA-N	1	1	369.465	2.463	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000021053280	539679888	/nfs/dbraw/zinc/67/98/88/539679888.db2.gz	IOECVOOKJLPCEK-XHSDSOJGSA-N	1	1	359.470	2.330	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000021053280	539679891	/nfs/dbraw/zinc/67/98/91/539679891.db2.gz	IOECVOOKJLPCEK-XHSDSOJGSA-N	1	1	359.470	2.330	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN(c2ccccc2F)CC1)Cc1cccc(C#N)c1	ZINC000026327256	539784167	/nfs/dbraw/zinc/78/41/67/539784167.db2.gz	FCOWQTMZXGUIHA-UHFFFAOYSA-N	1	1	366.440	2.478	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN(c2ccccc2F)CC1)Cc1cccc(C#N)c1	ZINC000026327256	539784172	/nfs/dbraw/zinc/78/41/72/539784172.db2.gz	FCOWQTMZXGUIHA-UHFFFAOYSA-N	1	1	366.440	2.478	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1	ZINC000029192091	539845956	/nfs/dbraw/zinc/84/59/56/539845956.db2.gz	UZQZBFVCMNZGMU-NRFANRHFSA-N	1	1	370.497	2.069	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2sccc2C1	ZINC000041965430	540042574	/nfs/dbraw/zinc/04/25/74/540042574.db2.gz	CGZILLFQTGZVAV-ZDUSSCGKSA-N	1	1	368.462	2.121	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2sccc2C1	ZINC000041965430	540042577	/nfs/dbraw/zinc/04/25/77/540042577.db2.gz	CGZILLFQTGZVAV-ZDUSSCGKSA-N	1	1	368.462	2.121	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1	ZINC000047274018	540300848	/nfs/dbraw/zinc/30/08/48/540300848.db2.gz	RERBCCVNUWONSJ-UHFFFAOYSA-N	1	1	356.401	2.408	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1	ZINC000047274018	540300849	/nfs/dbraw/zinc/30/08/49/540300849.db2.gz	RERBCCVNUWONSJ-UHFFFAOYSA-N	1	1	356.401	2.408	20	30		FEEDMO
C[NH+](C)Cc1cccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1	ZINC000049695976	540391947	/nfs/dbraw/zinc/39/19/47/540391947.db2.gz	JMSWLBKXVLDUKF-UHFFFAOYSA-N	1	1	371.462	2.173	20	30		FEEDMO
CCC[N@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1ccc(C#N)cc1	ZINC000051855321	540446493	/nfs/dbraw/zinc/44/64/93/540446493.db2.gz	KSWCVWNMWDAPKT-KRWDZBQOSA-N	1	1	370.497	2.287	20	30		FEEDMO
CCC[N@@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1ccc(C#N)cc1	ZINC000051855321	540446496	/nfs/dbraw/zinc/44/64/96/540446496.db2.gz	KSWCVWNMWDAPKT-KRWDZBQOSA-N	1	1	370.497	2.287	20	30		FEEDMO
Cc1nnc(NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c(C#N)c1C	ZINC000052211652	540459151	/nfs/dbraw/zinc/45/91/51/540459151.db2.gz	WZBZGBUQDCOBBK-UHFFFAOYSA-N	1	1	350.470	2.325	20	30		FEEDMO
C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000535545051	540482178	/nfs/dbraw/zinc/48/21/78/540482178.db2.gz	CAASBYZJQGKMRY-NYTXWWLZSA-N	1	1	360.506	2.057	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1	ZINC000052564271	540473882	/nfs/dbraw/zinc/47/38/82/540473882.db2.gz	JHEQPHBQJRVHLX-OAHLLOKOSA-N	1	1	374.460	2.028	20	30		FEEDMO
CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1COc2ccccc2O1	ZINC000052927909	540499484	/nfs/dbraw/zinc/49/94/84/540499484.db2.gz	MJAAOQPGHXMLEF-UZLBHIALSA-N	1	1	357.454	2.347	20	30		FEEDMO
CCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1COc2ccccc2O1	ZINC000052927909	540499486	/nfs/dbraw/zinc/49/94/86/540499486.db2.gz	MJAAOQPGHXMLEF-UZLBHIALSA-N	1	1	357.454	2.347	20	30		FEEDMO
COc1cccc(C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H]2CCCO2)c1	ZINC000053229538	540518923	/nfs/dbraw/zinc/51/89/23/540518923.db2.gz	KQHOTRDOVHNWSO-PZJWPPBQSA-N	1	1	371.481	2.485	20	30		FEEDMO
COc1cccc(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@@H]2CCCO2)c1	ZINC000053229538	540518926	/nfs/dbraw/zinc/51/89/26/540518926.db2.gz	KQHOTRDOVHNWSO-PZJWPPBQSA-N	1	1	371.481	2.485	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)c3cccc(CC#N)c3)cc2)CC1	ZINC000053237941	540519762	/nfs/dbraw/zinc/51/97/62/540519762.db2.gz	LSLUXLLLRXXLDV-UHFFFAOYSA-N	1	1	362.477	2.430	20	30		FEEDMO
Cc1cccc(NC(=O)C2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)n1	ZINC000053162912	540514784	/nfs/dbraw/zinc/51/47/84/540514784.db2.gz	STPDVDLFFBBMFM-FQEVSTJZSA-N	1	1	371.485	2.095	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(CC(=O)N3CCCC3)CC2)CCCCC1	ZINC000061048865	541125836	/nfs/dbraw/zinc/12/58/36/541125836.db2.gz	DDRYUNQABXUQEN-UHFFFAOYSA-N	1	1	360.502	2.054	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)NCCC[NH+]2CCN(C)CC2)cc1OC	ZINC000061524481	541131678	/nfs/dbraw/zinc/13/16/78/541131678.db2.gz	CGEZYOQDKWCSJR-VQHVLOKHSA-N	1	1	373.497	2.027	20	30		FEEDMO
COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](C)Cc1cccc(C#N)c1	ZINC000063495076	541170489	/nfs/dbraw/zinc/17/04/89/541170489.db2.gz	LRLFDQFUWCQDTF-KRWDZBQOSA-N	1	1	356.422	2.447	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064632989	541213163	/nfs/dbraw/zinc/21/31/63/541213163.db2.gz	XCJMRAUJZMDQFC-KRWDZBQOSA-N	1	1	355.486	2.278	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064632989	541213165	/nfs/dbraw/zinc/21/31/65/541213165.db2.gz	XCJMRAUJZMDQFC-KRWDZBQOSA-N	1	1	355.486	2.278	20	30		FEEDMO
C=CC[N@@H+](CCc1ccccc1)CC(=O)N[C@H](C)C(=O)N1CCCCC1	ZINC000065959457	541274726	/nfs/dbraw/zinc/27/47/26/541274726.db2.gz	BHQYRROFYZWUII-GOSISDBHSA-N	1	1	357.498	2.234	20	30		FEEDMO
C=CC[N@H+](CCc1ccccc1)CC(=O)N[C@H](C)C(=O)N1CCCCC1	ZINC000065959457	541274730	/nfs/dbraw/zinc/27/47/30/541274730.db2.gz	BHQYRROFYZWUII-GOSISDBHSA-N	1	1	357.498	2.234	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2nccs2)CC1	ZINC000066349798	541306642	/nfs/dbraw/zinc/30/66/42/541306642.db2.gz	OLWALIGSCOTCEL-KRWDZBQOSA-N	1	1	359.495	2.434	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000067398049	541457323	/nfs/dbraw/zinc/45/73/23/541457323.db2.gz	VRBBBTPSUOOSLS-CHWSQXEVSA-N	1	1	362.861	2.387	20	30		FEEDMO
CCCC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1	ZINC000067399958	541457396	/nfs/dbraw/zinc/45/73/96/541457396.db2.gz	DMDMNCILZPUDRE-MRXNPFEDSA-N	1	1	363.483	2.176	20	30		FEEDMO
CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000542960837	541509566	/nfs/dbraw/zinc/50/95/66/541509566.db2.gz	FEQVSAUMBYVOON-AWEZNQCLSA-N	1	1	356.405	2.346	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1	ZINC000068095557	541547724	/nfs/dbraw/zinc/54/77/24/541547724.db2.gz	BLFJYDWXNVSKEU-JKSUJKDBSA-N	1	1	357.454	2.037	20	30		FEEDMO
N#CCSCC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000068134903	541554347	/nfs/dbraw/zinc/55/43/47/541554347.db2.gz	SKPPQPGENSGFBL-UHFFFAOYSA-N	1	1	366.918	2.225	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](CN2CCOCC2)C1	ZINC000070011400	541730300	/nfs/dbraw/zinc/73/03/00/541730300.db2.gz	NPPCDYAULFLIFR-TZIWHRDSSA-N	1	1	374.525	2.199	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1	ZINC000070758269	541741958	/nfs/dbraw/zinc/74/19/58/541741958.db2.gz	LCUGOXZJTYRYIO-HXUWFJFHSA-N	1	1	358.486	2.009	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1	ZINC000070758269	541741961	/nfs/dbraw/zinc/74/19/61/541741961.db2.gz	LCUGOXZJTYRYIO-HXUWFJFHSA-N	1	1	358.486	2.009	20	30		FEEDMO
C=CCNC(=O)C[N@@H+](CCCn1ccnc1)Cc1ccccc1OCC	ZINC000071114865	541765034	/nfs/dbraw/zinc/76/50/34/541765034.db2.gz	IOWGAUQFKKRTDM-UHFFFAOYSA-N	1	1	356.470	2.476	20	30		FEEDMO
C=CCNC(=O)C[N@H+](CCCn1ccnc1)Cc1ccccc1OCC	ZINC000071114865	541765038	/nfs/dbraw/zinc/76/50/38/541765038.db2.gz	IOWGAUQFKKRTDM-UHFFFAOYSA-N	1	1	356.470	2.476	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)cc1Cl	ZINC000072829390	541875165	/nfs/dbraw/zinc/87/51/65/541875165.db2.gz	LJFVCQOSTDRMNX-GOSISDBHSA-N	1	1	360.845	2.142	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000072971428	541900992	/nfs/dbraw/zinc/90/09/92/541900992.db2.gz	FDPFDFWORCWFHR-ICSRJNTNSA-N	1	1	370.497	2.118	20	30		FEEDMO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[N@H+](CC)CCO2)cc1	ZINC000073046965	541912555	/nfs/dbraw/zinc/91/25/55/541912555.db2.gz	AUWKHEWAHQKRKE-SFHVURJKSA-N	1	1	357.454	2.160	20	30		FEEDMO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)cc1	ZINC000073046965	541912559	/nfs/dbraw/zinc/91/25/59/541912559.db2.gz	AUWKHEWAHQKRKE-SFHVURJKSA-N	1	1	357.454	2.160	20	30		FEEDMO
CC[N@@H+]1CCO[C@H](C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1	ZINC000073584713	541969520	/nfs/dbraw/zinc/96/95/20/541969520.db2.gz	HAARJWMFKHINFR-TVPLGVNVSA-N	1	1	357.454	2.085	20	30		FEEDMO
CC[N@H+]1CCO[C@H](C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1	ZINC000073584713	541969524	/nfs/dbraw/zinc/96/95/24/541969524.db2.gz	HAARJWMFKHINFR-TVPLGVNVSA-N	1	1	357.454	2.085	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC(=O)N(C)C)sc2C1	ZINC000074022441	542026862	/nfs/dbraw/zinc/02/68/62/542026862.db2.gz	JVWGJAAFORSEFO-GFCCVEGCSA-N	1	1	362.499	2.093	20	30		FEEDMO
C=CCc1ccc(OCC(=O)N[C@@H](C)CC[NH+]2CCOCC2)c(OC)c1	ZINC000074105783	542038455	/nfs/dbraw/zinc/03/84/55/542038455.db2.gz	RCULVULSFFEKJA-INIZCTEOSA-N	1	1	362.470	2.030	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C[C@H]1CN(CC)c2ccccc2O1	ZINC000076748518	542320073	/nfs/dbraw/zinc/32/00/73/542320073.db2.gz	GOLULYQRGZHREL-IRXDYDNUSA-N	1	1	358.486	2.214	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C[C@H]1CN(CC)c2ccccc2O1	ZINC000076748518	542320076	/nfs/dbraw/zinc/32/00/76/542320076.db2.gz	GOLULYQRGZHREL-IRXDYDNUSA-N	1	1	358.486	2.214	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F	ZINC000077538128	542394147	/nfs/dbraw/zinc/39/41/47/542394147.db2.gz	ASILWSWLIXOICF-KRWDZBQOSA-N	1	1	366.396	2.027	20	30		FEEDMO
N#Cc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1	ZINC000078111888	542442458	/nfs/dbraw/zinc/44/24/58/542442458.db2.gz	NDCKCCZNHSWGJH-LJQANCHMSA-N	1	1	353.397	2.215	20	30		FEEDMO
N#Cc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1	ZINC000078111888	542442462	/nfs/dbraw/zinc/44/24/62/542442462.db2.gz	NDCKCCZNHSWGJH-LJQANCHMSA-N	1	1	353.397	2.215	20	30		FEEDMO
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCO[C@@H](C)C#N)CC1	ZINC000801915639	674154830	/nfs/dbraw/zinc/15/48/30/674154830.db2.gz	UBCROKXOFAIQIY-WMLDXEAASA-N	1	1	365.861	2.100	20	30		FEEDMO
Cc1ccc(NC(=O)C2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)nc1	ZINC000079895931	542548581	/nfs/dbraw/zinc/54/85/81/542548581.db2.gz	LUEPIVXNKRMNFF-FQEVSTJZSA-N	1	1	371.485	2.095	20	30		FEEDMO
C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H](O)CN1CCOCC1	ZINC000083245809	542696627	/nfs/dbraw/zinc/69/66/27/542696627.db2.gz	HUSQJBOLKLRRCQ-OAQYLSRUSA-N	1	1	365.477	2.350	20	30		FEEDMO
CCc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943419	542776189	/nfs/dbraw/zinc/77/61/89/542776189.db2.gz	GZRXDVKHXMIEHY-ZDUSSCGKSA-N	1	1	354.458	2.318	20	30		FEEDMO
N#Cc1ccc(CCC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1	ZINC000089959871	542776967	/nfs/dbraw/zinc/77/69/67/542776967.db2.gz	KQDDSZXZXADTQS-NHCUHLMSSA-N	1	1	363.461	2.242	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1	ZINC000090682626	542788575	/nfs/dbraw/zinc/78/85/75/542788575.db2.gz	LVZRJWCIGFANSC-RTBURBONSA-N	1	1	359.445	2.224	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1	ZINC000090682626	542788576	/nfs/dbraw/zinc/78/85/76/542788576.db2.gz	LVZRJWCIGFANSC-RTBURBONSA-N	1	1	359.445	2.224	20	30		FEEDMO
CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1	ZINC000091897411	542831191	/nfs/dbraw/zinc/83/11/91/542831191.db2.gz	CVUHADXAWNOMNH-SFHVURJKSA-N	1	1	365.499	2.271	20	30		FEEDMO
CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1	ZINC000091897411	542831192	/nfs/dbraw/zinc/83/11/92/542831192.db2.gz	CVUHADXAWNOMNH-SFHVURJKSA-N	1	1	365.499	2.271	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2ccc(Cl)cc2)CC1	ZINC000092617270	542875662	/nfs/dbraw/zinc/87/56/62/542875662.db2.gz	GKZNVJPWHKMNES-GOSISDBHSA-N	1	1	362.905	2.464	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)CC1	ZINC000092617270	542875663	/nfs/dbraw/zinc/87/56/63/542875663.db2.gz	GKZNVJPWHKMNES-GOSISDBHSA-N	1	1	362.905	2.464	20	30		FEEDMO
C#CCC[NH+]1CCN(c2ccc3nnc(-c4ccccc4F)n3n2)CC1	ZINC000092623849	542876631	/nfs/dbraw/zinc/87/66/31/542876631.db2.gz	YHRZUQVLBVNEBI-UHFFFAOYSA-N	1	1	350.401	2.076	20	30		FEEDMO
COc1cc(N[C@@H]2CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)cc(OC)c1	ZINC000092806000	542887787	/nfs/dbraw/zinc/88/77/87/542887787.db2.gz	KKHSDXXBXAENAA-MRXNPFEDSA-N	1	1	374.485	2.342	20	30		FEEDMO
CCN1CCN([C@@H]2CC[N@H+](Cc3ccc(N(C)CCC#N)cc3)C2)CC1	ZINC000093133172	542911386	/nfs/dbraw/zinc/91/13/86/542911386.db2.gz	GZBLVIURDMLAQO-OAQYLSRUSA-N	1	1	355.530	2.248	20	30		FEEDMO
CCN1CCN([C@@H]2CC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)CC1	ZINC000093133172	542911388	/nfs/dbraw/zinc/91/13/88/542911388.db2.gz	GZBLVIURDMLAQO-OAQYLSRUSA-N	1	1	355.530	2.248	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c(F)c1	ZINC000093259905	542921855	/nfs/dbraw/zinc/92/18/55/542921855.db2.gz	SXMZLMHPWQZRRZ-UHFFFAOYSA-N	1	1	354.385	2.235	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1)C1CC1	ZINC000101918443	543049725	/nfs/dbraw/zinc/04/97/25/543049725.db2.gz	FDOXTCWJKSZWFQ-HXUWFJFHSA-N	1	1	372.444	2.285	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1	ZINC000103163906	543095908	/nfs/dbraw/zinc/09/59/08/543095908.db2.gz	UVYIBJAHZFQTTN-IBGZPJMESA-N	1	1	369.490	2.401	20	30		FEEDMO
COC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000103481570	543111304	/nfs/dbraw/zinc/11/13/04/543111304.db2.gz	HDVINMDHCCITQE-GFCCVEGCSA-N	1	1	361.467	2.322	20	30		FEEDMO
COc1ccc([C@@H](CNS(=O)(=O)CCCC#N)[NH+]2CCCCC2)cc1	ZINC000104106876	543123787	/nfs/dbraw/zinc/12/37/87/543123787.db2.gz	CFNOAYVWWZHUNP-GOSISDBHSA-N	1	1	365.499	2.445	20	30		FEEDMO
CN(C(=O)C[N@@H+](C)C[C@H]1CCCN1c1cccnn1)C1(C#N)CCCCC1	ZINC000106089347	543194085	/nfs/dbraw/zinc/19/40/85/543194085.db2.gz	MXEXCISQTYJTDS-QGZVFWFLSA-N	1	1	370.501	2.062	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCO[C@H](C#N)C2)cc1	ZINC000106330792	543223435	/nfs/dbraw/zinc/22/34/35/543223435.db2.gz	XCJSWJRUNMTNII-VQIMIIECSA-N	1	1	356.470	2.495	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1)C1CC1	ZINC000108387751	543288148	/nfs/dbraw/zinc/28/81/48/543288148.db2.gz	ZRXNALBULRAQDP-PMACEKPBSA-N	1	1	359.445	2.380	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	ZINC000111269365	543390619	/nfs/dbraw/zinc/39/06/19/543390619.db2.gz	LTKRENDYXJKDKZ-CABCVRRESA-N	1	1	374.510	2.477	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	ZINC000111269365	543390621	/nfs/dbraw/zinc/39/06/21/543390621.db2.gz	LTKRENDYXJKDKZ-CABCVRRESA-N	1	1	374.510	2.477	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCN2CCOCC2)c1	ZINC000114463893	543518379	/nfs/dbraw/zinc/51/83/79/543518379.db2.gz	XJAIAOICYIDMFZ-IBGZPJMESA-N	1	1	372.513	2.203	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCN2CCOCC2)c1	ZINC000114463893	543518380	/nfs/dbraw/zinc/51/83/80/543518380.db2.gz	XJAIAOICYIDMFZ-IBGZPJMESA-N	1	1	372.513	2.203	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000114598321	543525040	/nfs/dbraw/zinc/52/50/40/543525040.db2.gz	VHSHDGAJDJGPGB-WOJBJXKFSA-N	1	1	369.513	2.280	20	30		FEEDMO
C[C@@H]1C[NH+](Cc2ccc(C(=O)NC3(C#N)CCOCC3)cc2)C[C@@H](C)O1	ZINC000115464381	543569238	/nfs/dbraw/zinc/56/92/38/543569238.db2.gz	RJXFMTOSMMFGTC-HZPDHXFCSA-N	1	1	357.454	2.098	20	30		FEEDMO
Cc1cc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)ccc1C#N	ZINC000552072341	674185820	/nfs/dbraw/zinc/18/58/20/674185820.db2.gz	DFJVGNQFSMZXBT-UHFFFAOYSA-N	1	1	359.451	2.025	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCN(c2cccnn2)CC1	ZINC000118005618	543642951	/nfs/dbraw/zinc/64/29/51/543642951.db2.gz	NSDIPLNEADUJAN-LJQANCHMSA-N	1	1	368.481	2.157	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCN(c2cccnn2)CC1	ZINC000118005620	543643093	/nfs/dbraw/zinc/64/30/93/543643093.db2.gz	NSDIPLNEADUJAN-IBGZPJMESA-N	1	1	368.481	2.157	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000118096419	543644382	/nfs/dbraw/zinc/64/43/82/543644382.db2.gz	HZKDGDJXPYYSOH-AWEZNQCLSA-N	1	1	360.483	2.231	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000120115931	543675560	/nfs/dbraw/zinc/67/55/60/543675560.db2.gz	CWPVZGIVJMFXQH-QGZVFWFLSA-N	1	1	353.484	2.277	20	30		FEEDMO
C=CCOc1ccc(C[N@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000120115931	543675562	/nfs/dbraw/zinc/67/55/62/543675562.db2.gz	CWPVZGIVJMFXQH-QGZVFWFLSA-N	1	1	353.484	2.277	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@@H+](CCCCC#N)CC2)cc1	ZINC000122163329	543704554	/nfs/dbraw/zinc/70/45/54/543704554.db2.gz	IYMORNSMEHGWEE-UHFFFAOYSA-N	1	1	351.472	2.085	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(N)=O	ZINC000123892571	543789672	/nfs/dbraw/zinc/78/96/72/543789672.db2.gz	QBIOTHIELIOSNJ-OAHLLOKOSA-N	1	1	350.422	2.435	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)CCCCC1	ZINC000123640326	543774507	/nfs/dbraw/zinc/77/45/07/543774507.db2.gz	NPLLXDUOPRMCQO-CVEARBPZSA-N	1	1	351.516	2.316	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[N@@H+]1C1CC1	ZINC000124070346	543799733	/nfs/dbraw/zinc/79/97/33/543799733.db2.gz	VZCJNNAVYHMURQ-ZYHUDNBSSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[N@H+]1C1CC1	ZINC000124070346	543799735	/nfs/dbraw/zinc/79/97/35/543799735.db2.gz	VZCJNNAVYHMURQ-ZYHUDNBSSA-N	1	1	373.400	2.481	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1	ZINC000124152227	543803850	/nfs/dbraw/zinc/80/38/50/543803850.db2.gz	SIXCJXQMFOLQEV-KRWDZBQOSA-N	1	1	359.470	2.430	20	30		FEEDMO
CN(C(=O)c1ccc(C#N)cn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000124880261	543848370	/nfs/dbraw/zinc/84/83/70/543848370.db2.gz	MJQFWMQVBKYOOH-PMACEKPBSA-N	1	1	369.513	2.362	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1	ZINC000124964550	543853979	/nfs/dbraw/zinc/85/39/79/543853979.db2.gz	FPEDPBQUMBTCTC-GDBMZVCRSA-N	1	1	372.494	2.231	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1	ZINC000124964550	543853982	/nfs/dbraw/zinc/85/39/82/543853982.db2.gz	FPEDPBQUMBTCTC-GDBMZVCRSA-N	1	1	372.494	2.231	20	30		FEEDMO
N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(F)c1	ZINC000125210314	543868223	/nfs/dbraw/zinc/86/82/23/543868223.db2.gz	LIPRUCYTJXWOLR-GFCCVEGCSA-N	1	1	355.410	2.132	20	30		FEEDMO
N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c(F)c1	ZINC000125210314	543868226	/nfs/dbraw/zinc/86/82/26/543868226.db2.gz	LIPRUCYTJXWOLR-GFCCVEGCSA-N	1	1	355.410	2.132	20	30		FEEDMO
Cc1cccc(S(=O)(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C#N	ZINC000126509240	543940408	/nfs/dbraw/zinc/94/04/08/543940408.db2.gz	LZMLXWOEFIEMQD-HZPDHXFCSA-N	1	1	365.499	2.034	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)NCCCNc1ccc(C)c[nH+]1	ZINC000127806357	544014750	/nfs/dbraw/zinc/01/47/50/544014750.db2.gz	FGRZBKNJCMXVRA-UHFFFAOYSA-N	1	1	354.410	2.268	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[N@H+]1C1CC1	ZINC000127555925	544000329	/nfs/dbraw/zinc/00/03/29/544000329.db2.gz	RYAOOKPUEPAEAE-HUUCEWRRSA-N	1	1	371.460	2.154	20	30		FEEDMO
CCOC(=O)C(C)(C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000129247417	544100895	/nfs/dbraw/zinc/10/08/95/544100895.db2.gz	ALACZXJTQBAXMM-UHFFFAOYSA-N	1	1	357.454	2.182	20	30		FEEDMO
CCOC(=O)C(C)(C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000129247417	544100898	/nfs/dbraw/zinc/10/08/98/544100898.db2.gz	ALACZXJTQBAXMM-UHFFFAOYSA-N	1	1	357.454	2.182	20	30		FEEDMO
N#CC1(C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)CCC1	ZINC000129626733	544121386	/nfs/dbraw/zinc/12/13/86/544121386.db2.gz	KPLKMIBNPHSVHW-UHFFFAOYSA-N	1	1	374.416	2.119	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1	ZINC000132095764	544218927	/nfs/dbraw/zinc/21/89/27/544218927.db2.gz	PHFQJOWAMHHITH-OAHLLOKOSA-N	1	1	361.511	2.203	20	30		FEEDMO
N#CCCN(Cc1ccco1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000132347409	544227983	/nfs/dbraw/zinc/22/79/83/544227983.db2.gz	LWAUYXRGFGNEED-IBGZPJMESA-N	1	1	353.422	2.423	20	30		FEEDMO
N#CCCN(Cc1ccco1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000132347409	544227985	/nfs/dbraw/zinc/22/79/85/544227985.db2.gz	LWAUYXRGFGNEED-IBGZPJMESA-N	1	1	353.422	2.423	20	30		FEEDMO
COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C#N	ZINC000134970316	544329779	/nfs/dbraw/zinc/32/97/79/544329779.db2.gz	OCSZALNMBRLPNM-ZDUSSCGKSA-N	1	1	359.451	2.407	20	30		FEEDMO
COc1cc2c(cc1OC)CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2	ZINC000138714786	544397508	/nfs/dbraw/zinc/39/75/08/544397508.db2.gz	DGKZXGNIYJXRFV-HXUWFJFHSA-N	1	1	359.470	2.159	20	30		FEEDMO
C#CCOc1ccc(F)cc1NC(=O)N1CCC([N@@H+](C)CCCO)CC1	ZINC000136839141	544380212	/nfs/dbraw/zinc/38/02/12/544380212.db2.gz	DVCMZAUBKJCHST-UHFFFAOYSA-N	1	1	363.433	2.148	20	30		FEEDMO
C=CCc1cc(CNC(=O)[C@H](C)[NH+]2CCSCC2)cc(OC)c1OC	ZINC000151868433	544590466	/nfs/dbraw/zinc/59/04/66/544590466.db2.gz	GGRNUZIKJBACEG-AWEZNQCLSA-N	1	1	364.511	2.486	20	30		FEEDMO
C[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)C[N@H+]1Cc1ccccc1	ZINC000152001629	544605247	/nfs/dbraw/zinc/60/52/47/544605247.db2.gz	PJPRNBVXXODUSS-RDJZCZTQSA-N	1	1	370.478	2.142	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1)C1(C#N)CCCCC1	ZINC000152467535	544657823	/nfs/dbraw/zinc/65/78/23/544657823.db2.gz	BVAYGQYEJLJAPU-INIZCTEOSA-N	1	1	370.501	2.477	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1)C1(C#N)CCCCC1	ZINC000152467535	544657826	/nfs/dbraw/zinc/65/78/26/544657826.db2.gz	BVAYGQYEJLJAPU-INIZCTEOSA-N	1	1	370.501	2.477	20	30		FEEDMO
C[C@@H](O)C[C@@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000153162169	544740718	/nfs/dbraw/zinc/74/07/18/544740718.db2.gz	WYXOMQLPXNFCQI-PBHICJAKSA-N	1	1	368.399	2.408	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CC[N@H+](CCOC)[C@H](CCC)C2)s1	ZINC000153693508	544810663	/nfs/dbraw/zinc/81/06/63/544810663.db2.gz	XGOGQNJEHRXKQG-CQSZACIVSA-N	1	1	352.504	2.314	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CC[N@@H+](CCOC)[C@H](CCC)C2)s1	ZINC000153693508	544810666	/nfs/dbraw/zinc/81/06/66/544810666.db2.gz	XGOGQNJEHRXKQG-CQSZACIVSA-N	1	1	352.504	2.314	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(OCCCO)CC2)c1	ZINC000154890756	544962657	/nfs/dbraw/zinc/96/26/57/544962657.db2.gz	OMIMWEVHYBKTHA-UHFFFAOYSA-N	1	1	373.497	2.414	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)c1ccc(F)cc1	ZINC000553884222	674292169	/nfs/dbraw/zinc/29/21/69/674292169.db2.gz	ZABUHQLPGHTCBG-MRXNPFEDSA-N	1	1	365.405	2.418	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C(N)=O)C1	ZINC000187409240	328023473	/nfs/dbraw/zinc/02/34/73/328023473.db2.gz	AILITEJTJFVCRL-FZMZJTMJSA-N	1	1	360.483	2.023	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000190051125	328184803	/nfs/dbraw/zinc/18/48/03/328184803.db2.gz	KKGGCEDNEZJRTE-INIZCTEOSA-N	1	1	358.442	2.143	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000192752359	328337366	/nfs/dbraw/zinc/33/73/66/328337366.db2.gz	ZCLOGPYCKKKTMX-LSDHHAIUSA-N	1	1	373.501	2.290	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(Cc2cc(C#N)ccc2Br)[C@H](C)C1	ZINC000192819584	328341249	/nfs/dbraw/zinc/34/12/49/328341249.db2.gz	BDYUCAPOOFQKFX-CHWSQXEVSA-N	1	1	352.276	2.208	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000192939948	328348143	/nfs/dbraw/zinc/34/81/43/328348143.db2.gz	YRIBOEXGUACGCX-INIZCTEOSA-N	1	1	373.501	2.434	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000192972590	328349884	/nfs/dbraw/zinc/34/98/84/328349884.db2.gz	FHLUODKCQYTSNI-HNNXBMFYSA-N	1	1	359.474	2.044	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000193205292	328362384	/nfs/dbraw/zinc/36/23/84/328362384.db2.gz	OGDUCJNFSJXKDQ-UHFFFAOYSA-N	1	1	370.457	2.107	20	30		FEEDMO
CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000085583373	325255948	/nfs/dbraw/zinc/25/59/48/325255948.db2.gz	INCAOCAUPDVUKR-ZDUSSCGKSA-N	1	1	368.384	2.080	20	30		FEEDMO
CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943451	325343556	/nfs/dbraw/zinc/34/35/56/325343556.db2.gz	VQZWPWMJOWXKDS-HNNXBMFYSA-N	1	1	373.461	2.222	20	30		FEEDMO
C[NH+]1CCN([C@H]2CCCCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1	ZINC000091688253	325389986	/nfs/dbraw/zinc/38/99/86/325389986.db2.gz	OSWSHLFMAZVFFA-IBDYFIJFSA-N	1	1	352.482	2.200	20	30		FEEDMO
COCCOc1cccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1	ZINC000091936563	325398748	/nfs/dbraw/zinc/39/87/48/325398748.db2.gz	FLYRAWRRQAWEJW-INIZCTEOSA-N	1	1	367.453	2.084	20	30		FEEDMO
COCCOc1cccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1	ZINC000091936563	325398749	/nfs/dbraw/zinc/39/87/49/325398749.db2.gz	FLYRAWRRQAWEJW-INIZCTEOSA-N	1	1	367.453	2.084	20	30		FEEDMO
Cc1cccc(N2CCC(NC(=O)COc3ccc(C#N)cc3)CC2)[nH+]1	ZINC000116670701	326029013	/nfs/dbraw/zinc/02/90/13/326029013.db2.gz	MZEQXRZBHQQLRF-UHFFFAOYSA-N	1	1	350.422	2.426	20	30		FEEDMO
CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1	ZINC000116890919	326040395	/nfs/dbraw/zinc/04/03/95/326040395.db2.gz	UESLOZQWVOIHQQ-GOSISDBHSA-N	1	1	355.463	2.349	20	30		FEEDMO
Cc1cccc(N2CCC(NS(=O)(=O)Cc3cccc(C#N)c3)CC2)[nH+]1	ZINC000116904966	326041528	/nfs/dbraw/zinc/04/15/28/326041528.db2.gz	VZVQIOAYOWARPL-UHFFFAOYSA-N	1	1	370.478	2.350	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000120984785	326304281	/nfs/dbraw/zinc/30/42/81/326304281.db2.gz	KKKKSUAAVROHPU-QLFBSQMISA-N	1	1	367.490	2.483	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cn1	ZINC000123522670	326434536	/nfs/dbraw/zinc/43/45/36/326434536.db2.gz	ZCJQRSMXTAOWER-UHFFFAOYSA-N	1	1	371.397	2.065	20	30		FEEDMO
C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000125675488	326475904	/nfs/dbraw/zinc/47/59/04/326475904.db2.gz	NBULCCDOGUOWIS-OAHLLOKOSA-N	1	1	370.478	2.457	20	30		FEEDMO
CNC(=O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000170910123	327106954	/nfs/dbraw/zinc/10/69/54/327106954.db2.gz	SGQLKDOJZHBYDA-CQSZACIVSA-N	1	1	360.483	2.038	20	30		FEEDMO
Cc1nc(C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)ccc1C#N	ZINC000172457120	327202475	/nfs/dbraw/zinc/20/24/75/327202475.db2.gz	WIMAGLZRCSIROB-UHFFFAOYSA-N	1	1	363.465	2.156	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](CC(N)=O)C2)sc2c1CCCC2	ZINC000175254317	327382523	/nfs/dbraw/zinc/38/25/23/327382523.db2.gz	MRAJXTNUORZECN-ZDUSSCGKSA-N	1	1	374.510	2.415	20	30		FEEDMO
COc1c(C)c[nH+]c(CN2CCN(c3nccnc3C#N)C[C@H]2C)c1C	ZINC000247528287	328691941	/nfs/dbraw/zinc/69/19/41/328691941.db2.gz	ZPFIMRGWHNRPLN-CQSZACIVSA-N	1	1	352.442	2.079	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1	ZINC000264371961	329015678	/nfs/dbraw/zinc/01/56/78/329015678.db2.gz	CXVZEGQOBHEHRN-SQUSKLHYSA-N	1	1	352.482	2.200	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1	ZINC000264426821	329021797	/nfs/dbraw/zinc/02/17/97/329021797.db2.gz	ADNDMEBAUWJPFA-INIZCTEOSA-N	1	1	369.421	2.181	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1	ZINC000264513190	329031459	/nfs/dbraw/zinc/03/14/59/329031459.db2.gz	LVEVDYZSXGFLLZ-KRWDZBQOSA-N	1	1	369.421	2.181	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000266871570	329267867	/nfs/dbraw/zinc/26/78/67/329267867.db2.gz	QEVRFDCZJIIVNJ-IAGOWNOFSA-N	1	1	363.483	2.174	20	30		FEEDMO
N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCC2OCCCO2)CC1	ZINC000267053908	329286834	/nfs/dbraw/zinc/28/68/34/329286834.db2.gz	KFVNZNNAVLYBQV-UHFFFAOYSA-N	1	1	358.398	2.081	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000267289188	329310842	/nfs/dbraw/zinc/31/08/42/329310842.db2.gz	QWOBMMPFGCJPNF-DNVCBOLYSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000267541713	329336684	/nfs/dbraw/zinc/33/66/84/329336684.db2.gz	DPGLJMHNHMEMDG-CQSZACIVSA-N	1	1	360.433	2.407	20	30		FEEDMO
C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nncn1C	ZINC000274024439	329909467	/nfs/dbraw/zinc/90/94/67/329909467.db2.gz	NBSPARKOBKVZRG-NSHDSACASA-N	1	1	358.471	2.306	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](C(=O)Nc4ccccn4)C3)n2c1	ZINC000367226402	330233038	/nfs/dbraw/zinc/23/30/38/330233038.db2.gz	LRUPJHJUPVJGHR-INIZCTEOSA-N	1	1	360.421	2.452	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1	ZINC000155415543	545523437	/nfs/dbraw/zinc/52/34/37/545523437.db2.gz	UUPAHMUQVYVEMJ-QAPCUYQASA-N	1	1	365.437	2.183	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1	ZINC000155415543	545523440	/nfs/dbraw/zinc/52/34/40/545523440.db2.gz	UUPAHMUQVYVEMJ-QAPCUYQASA-N	1	1	365.437	2.183	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-n2cccn2)cc1	ZINC000155510176	545535495	/nfs/dbraw/zinc/53/54/95/545535495.db2.gz	KFLWGPSOGFPHGG-MRXNPFEDSA-N	1	1	359.437	2.245	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-n2cccn2)cc1	ZINC000155510176	545535501	/nfs/dbraw/zinc/53/55/01/545535501.db2.gz	KFLWGPSOGFPHGG-MRXNPFEDSA-N	1	1	359.437	2.245	20	30		FEEDMO
O=C1NCCN1C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000156248760	545611124	/nfs/dbraw/zinc/61/11/24/545611124.db2.gz	BLRFSSGKVDMRJM-UHFFFAOYSA-N	1	1	367.371	2.426	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000156648223	545642274	/nfs/dbraw/zinc/64/22/74/545642274.db2.gz	LMNZPGRKTAQYAH-WMZOPIPTSA-N	1	1	356.470	2.122	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000156972461	545683332	/nfs/dbraw/zinc/68/33/32/545683332.db2.gz	RFRHFBHGHCEJNK-AEFFLSMTSA-N	1	1	360.454	2.298	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000156972461	545683338	/nfs/dbraw/zinc/68/33/38/545683338.db2.gz	RFRHFBHGHCEJNK-AEFFLSMTSA-N	1	1	360.454	2.298	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C1CC1	ZINC000157047280	545693185	/nfs/dbraw/zinc/69/31/85/545693185.db2.gz	LSNBXKJTBSBBGD-UHFFFAOYSA-N	1	1	361.389	2.340	20	30		FEEDMO
COc1ccc(C#N)cc1C[NH+]1CCC(NC(=O)C2CCOCC2)CC1	ZINC000160088537	546006265	/nfs/dbraw/zinc/00/62/65/546006265.db2.gz	UPUALWPFNLJGAL-UHFFFAOYSA-N	1	1	357.454	2.074	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[N@H+]1CCOC	ZINC000161752482	546133726	/nfs/dbraw/zinc/13/37/26/546133726.db2.gz	HNFXODZRONNJSP-QGZVFWFLSA-N	1	1	362.449	2.340	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](CCC(N)=O)C1	ZINC000170734055	546174598	/nfs/dbraw/zinc/17/45/98/546174598.db2.gz	DDGWHXSZJNMGQQ-MUZJZNNISA-N	1	1	362.518	2.283	20	30		FEEDMO
C=CCSCCNC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000172570490	546259120	/nfs/dbraw/zinc/25/91/20/546259120.db2.gz	GGDXCGXFQNEKDY-UHFFFAOYSA-N	1	1	362.543	2.369	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1	ZINC000174842521	546304527	/nfs/dbraw/zinc/30/45/27/546304527.db2.gz	LTJSFUYFPPHKMQ-GOSISDBHSA-N	1	1	374.529	2.324	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCC[C@H](CC(N)=O)C1)c1cccc(Cl)c1	ZINC000175311367	546308847	/nfs/dbraw/zinc/30/88/47/546308847.db2.gz	SGHPMOMXTISFKM-CQSZACIVSA-N	1	1	362.861	2.174	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000175949687	546377993	/nfs/dbraw/zinc/37/79/93/546377993.db2.gz	TUQAMILEWQIWSX-CQSZACIVSA-N	1	1	360.433	2.264	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cccc(SCC#N)c2)CC1	ZINC000176024212	546392526	/nfs/dbraw/zinc/39/25/26/546392526.db2.gz	ANKIYDUAXHIQRQ-MRXNPFEDSA-N	1	1	360.527	2.306	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C(N)=O)ccc2CN(C)C)CC1	ZINC000177488544	546630139	/nfs/dbraw/zinc/63/01/39/546630139.db2.gz	FEBXOUPITUAKSH-UHFFFAOYSA-N	1	1	373.501	2.009	20	30		FEEDMO
CCc1nc(CN2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)cs1	ZINC000177715360	546673380	/nfs/dbraw/zinc/67/33/80/546673380.db2.gz	BWMDJJFXVXRTSL-SFHVURJKSA-N	1	1	356.495	2.428	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000178450437	546795861	/nfs/dbraw/zinc/79/58/61/546795861.db2.gz	NOBDQAGVHCZVDC-ZNMIVQPWSA-N	1	1	356.470	2.288	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1	ZINC000178448734	546796258	/nfs/dbraw/zinc/79/62/58/546796258.db2.gz	DIINPNCPKACUOT-UHFFFAOYSA-N	1	1	350.422	2.053	20	30		FEEDMO
C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1	ZINC000178593914	546816931	/nfs/dbraw/zinc/81/69/31/546816931.db2.gz	APMDFSJCMMMWPF-HNNXBMFYSA-N	1	1	356.470	2.450	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1	ZINC000178593914	546816936	/nfs/dbraw/zinc/81/69/36/546816936.db2.gz	APMDFSJCMMMWPF-HNNXBMFYSA-N	1	1	356.470	2.450	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000180405872	547102929	/nfs/dbraw/zinc/10/29/29/547102929.db2.gz	UAGUBZPGFRKHKX-HOCLYGCPSA-N	1	1	354.454	2.266	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2cccnc2)CC1	ZINC000180469775	547113138	/nfs/dbraw/zinc/11/31/38/547113138.db2.gz	LWTHHZJXPIDMRN-NRFANRHFSA-N	1	1	367.493	2.368	20	30		FEEDMO
C=CCNC(=O)C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1	ZINC000181161639	547260634	/nfs/dbraw/zinc/26/06/34/547260634.db2.gz	OSNLXTDYWZGYKS-FQEVSTJZSA-N	1	1	372.490	2.380	20	30		FEEDMO
C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000181329159	547294151	/nfs/dbraw/zinc/29/41/51/547294151.db2.gz	BJFNSYRPUVNOQG-LBPRGKRZSA-N	1	1	373.906	2.425	20	30		FEEDMO
C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000181329159	547294154	/nfs/dbraw/zinc/29/41/54/547294154.db2.gz	BJFNSYRPUVNOQG-LBPRGKRZSA-N	1	1	373.906	2.425	20	30		FEEDMO
C=CCNC(=O)CNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1	ZINC000182165276	547446785	/nfs/dbraw/zinc/44/67/85/547446785.db2.gz	DFPACHIYLIBUTF-UHFFFAOYSA-N	1	1	355.442	2.479	20	30		FEEDMO
C=CCSCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000182618052	547522606	/nfs/dbraw/zinc/52/26/06/547522606.db2.gz	NNDCZVAGZCGCQG-SFHVURJKSA-N	1	1	363.527	2.362	20	30		FEEDMO
CCOC(=O)C1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182628628	547524503	/nfs/dbraw/zinc/52/45/03/547524503.db2.gz	LLENRPXIBLADAV-SFHVURJKSA-N	1	1	355.438	2.329	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1C#N	ZINC000183164660	547614118	/nfs/dbraw/zinc/61/41/18/547614118.db2.gz	DWKJIAQGTWSKOI-HZPDHXFCSA-N	1	1	370.453	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1C#N	ZINC000183164660	547614123	/nfs/dbraw/zinc/61/41/23/547614123.db2.gz	DWKJIAQGTWSKOI-HZPDHXFCSA-N	1	1	370.453	2.259	20	30		FEEDMO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2	ZINC000183213110	547622037	/nfs/dbraw/zinc/62/20/37/547622037.db2.gz	LPXMXULMOHYGJZ-HOCLYGCPSA-N	1	1	359.470	2.038	20	30		FEEDMO
Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+]C2(C(N)=O)CC2)c1C#N	ZINC000183829609	547726971	/nfs/dbraw/zinc/72/69/71/547726971.db2.gz	SJDAWOCPGCDXGP-UHFFFAOYSA-N	1	1	357.458	2.028	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000184306043	547804422	/nfs/dbraw/zinc/80/44/22/547804422.db2.gz	YYJDPTKSGOLZIY-INIZCTEOSA-N	1	1	373.501	2.467	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000184306043	547804426	/nfs/dbraw/zinc/80/44/26/547804426.db2.gz	YYJDPTKSGOLZIY-INIZCTEOSA-N	1	1	373.501	2.467	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NCCC[N@@H+](C)Cc1ccccc1	ZINC000185410753	547980760	/nfs/dbraw/zinc/98/07/60/547980760.db2.gz	FVCQSGLPFXVBMH-UHFFFAOYSA-N	1	1	373.478	2.367	20	30		FEEDMO
C[C@H](c1ccsc1)[NH+]1CCN(CC(=O)N(CCC#N)CCC#N)CC1	ZINC000185442973	547985431	/nfs/dbraw/zinc/98/54/31/547985431.db2.gz	ADEVMYGNHRPKJF-MRXNPFEDSA-N	1	1	359.499	2.083	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000186128508	548088348	/nfs/dbraw/zinc/08/83/48/548088348.db2.gz	WGSHBGIWGCVFKW-LJQANCHMSA-N	1	1	358.530	2.453	20	30		FEEDMO
C=C(C)[C@@H]([NH2+]CC(=O)N1CCC[C@@H](NC(C)=O)C1)c1ccc(F)c(F)c1	ZINC000187754644	548262628	/nfs/dbraw/zinc/26/26/28/548262628.db2.gz	PDBLDRZWFNKLRI-DNVCBOLYSA-N	1	1	365.424	2.299	20	30		FEEDMO
COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1	ZINC000194539394	548496314	/nfs/dbraw/zinc/49/63/14/548496314.db2.gz	DBPYRTSLSNSCAL-SFHVURJKSA-N	1	1	357.454	2.227	20	30		FEEDMO
COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1	ZINC000194539394	548496317	/nfs/dbraw/zinc/49/63/17/548496317.db2.gz	DBPYRTSLSNSCAL-SFHVURJKSA-N	1	1	357.454	2.227	20	30		FEEDMO
C=CCOc1ccc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC	ZINC000194753665	548527397	/nfs/dbraw/zinc/52/73/97/548527397.db2.gz	LZFBXQARNICKSC-IYBDPMFKSA-N	1	1	362.470	2.441	20	30		FEEDMO
C=CCOc1ccc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC	ZINC000194753665	548527402	/nfs/dbraw/zinc/52/74/02/548527402.db2.gz	LZFBXQARNICKSC-IYBDPMFKSA-N	1	1	362.470	2.441	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Cc2ccc(C#N)cc2)CC1	ZINC000194885488	548544883	/nfs/dbraw/zinc/54/48/83/548544883.db2.gz	RVOKMZAMCUXIBZ-HDICACEKSA-N	1	1	354.498	2.118	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cccc(CC#N)c2)CC1	ZINC000195457123	548643301	/nfs/dbraw/zinc/64/33/01/548643301.db2.gz	ZLODIIHMSKYINU-HDICACEKSA-N	1	1	354.498	2.383	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000195718933	548655980	/nfs/dbraw/zinc/65/59/80/548655980.db2.gz	UHUATPQTAPPJRW-WMZOPIPTSA-N	1	1	356.470	2.170	20	30		FEEDMO
CCCC(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245395073	548905847	/nfs/dbraw/zinc/90/58/47/548905847.db2.gz	ZCMNXURWIUIFBQ-MJGOQNOKSA-N	1	1	368.481	2.292	20	30		FEEDMO
CCCC(=O)NC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245395073	548905850	/nfs/dbraw/zinc/90/58/50/548905850.db2.gz	ZCMNXURWIUIFBQ-MJGOQNOKSA-N	1	1	368.481	2.292	20	30		FEEDMO
Cc1cc(C[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)ccc1C#N	ZINC000488175879	561385202	/nfs/dbraw/zinc/38/52/02/561385202.db2.gz	KBUZTGOPVDAHLK-UHFFFAOYSA-N	1	1	373.464	2.160	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[C@@H]1O	ZINC000246247060	549088026	/nfs/dbraw/zinc/08/80/26/549088026.db2.gz	GOXIVMWRAMRANO-JZXOWHBKSA-N	1	1	359.470	2.423	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000247150856	549291561	/nfs/dbraw/zinc/29/15/61/549291561.db2.gz	YNMKKMVGSXCYPG-QZTJIDSGSA-N	1	1	373.497	2.172	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(C#N)c1C	ZINC000247576305	549361210	/nfs/dbraw/zinc/36/12/10/549361210.db2.gz	HUZCNWMBOWIVHV-DZGCQCFKSA-N	1	1	356.430	2.099	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Cn3cncn3)C2)c(C#N)c1C	ZINC000247576305	549361211	/nfs/dbraw/zinc/36/12/11/549361211.db2.gz	HUZCNWMBOWIVHV-DZGCQCFKSA-N	1	1	356.430	2.099	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cccc(C#N)c1	ZINC000248734938	549492864	/nfs/dbraw/zinc/49/28/64/549492864.db2.gz	DNPFHZXHBFJMIP-DNVCBOLYSA-N	1	1	355.463	2.357	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C	ZINC000249077353	549546982	/nfs/dbraw/zinc/54/69/82/549546982.db2.gz	LYKJYJIEEFPLPK-BMGDILEWSA-N	1	1	355.438	2.185	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C	ZINC000249077353	549546986	/nfs/dbraw/zinc/54/69/86/549546986.db2.gz	LYKJYJIEEFPLPK-BMGDILEWSA-N	1	1	355.438	2.185	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489664453	561416473	/nfs/dbraw/zinc/41/64/73/561416473.db2.gz	GLRUFOLZAJKMBT-HNNXBMFYSA-N	1	1	353.463	2.486	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000249552782	549604384	/nfs/dbraw/zinc/60/43/84/549604384.db2.gz	IPHANNYXEZEVEJ-UGKGYDQZSA-N	1	1	373.541	2.368	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1	ZINC000250230379	549640679	/nfs/dbraw/zinc/64/06/79/549640679.db2.gz	IZFADYPCIWRGJU-JKSUJKDBSA-N	1	1	359.470	2.427	20	30		FEEDMO
C=CC[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1	ZINC000253232695	549680489	/nfs/dbraw/zinc/68/04/89/549680489.db2.gz	GCDFETAMMBYGRK-MOPGFXCFSA-N	1	1	355.482	2.111	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000255151070	549704005	/nfs/dbraw/zinc/70/40/05/549704005.db2.gz	KDHOFJMZVIQQJW-WBVHZDCISA-N	1	1	374.460	2.309	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000255151070	549704008	/nfs/dbraw/zinc/70/40/08/549704008.db2.gz	KDHOFJMZVIQQJW-WBVHZDCISA-N	1	1	374.460	2.309	20	30		FEEDMO
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000490975271	561441204	/nfs/dbraw/zinc/44/12/04/561441204.db2.gz	UVHWUTGDWJPJEI-WBVHZDCISA-N	1	1	359.474	2.236	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+](CCOCC)CC1	ZINC000264385089	549995512	/nfs/dbraw/zinc/99/55/12/549995512.db2.gz	PSOXWBMYAIKXJL-KRWDZBQOSA-N	1	1	365.543	2.305	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCO[C@H](C#N)C1	ZINC000264440898	549995761	/nfs/dbraw/zinc/99/57/61/549995761.db2.gz	ZFQIPRRDPHDOPP-VQIMIIECSA-N	1	1	356.470	2.495	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1	ZINC000266619188	550022020	/nfs/dbraw/zinc/02/20/20/550022020.db2.gz	YZYHRIQBQBKVLY-UHFFFAOYSA-N	1	1	373.478	2.308	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(OCC#N)cc2)cc1	ZINC000266619188	550022022	/nfs/dbraw/zinc/02/20/22/550022022.db2.gz	YZYHRIQBQBKVLY-UHFFFAOYSA-N	1	1	373.478	2.308	20	30		FEEDMO
C=CCC(CC=C)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000268166801	550037241	/nfs/dbraw/zinc/03/72/41/550037241.db2.gz	PBSSGHQIJYAINK-UHFFFAOYSA-N	1	1	355.482	2.459	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1	ZINC000268169842	550037645	/nfs/dbraw/zinc/03/76/45/550037645.db2.gz	LOEXZXPGTARJAX-RDTXWAMCSA-N	1	1	357.454	2.179	20	30		FEEDMO
CCOc1ccnc(N2CCC[N@@H+](Cc3ccc(OCC#N)cc3)CC2)n1	ZINC000268995142	550141876	/nfs/dbraw/zinc/14/18/76/550141876.db2.gz	XIAXNTVKEFCRQZ-UHFFFAOYSA-N	1	1	367.453	2.490	20	30		FEEDMO
COC(=O)CCC[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1	ZINC000269090982	550153611	/nfs/dbraw/zinc/15/36/11/550153611.db2.gz	KOZSSMNHRWIWMI-UHFFFAOYSA-N	1	1	370.453	2.098	20	30		FEEDMO
COC(=O)CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1	ZINC000269090982	550153612	/nfs/dbraw/zinc/15/36/12/550153612.db2.gz	KOZSSMNHRWIWMI-UHFFFAOYSA-N	1	1	370.453	2.098	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)[N@H+]1CCC[C@H](C)C1	ZINC000269108974	550156365	/nfs/dbraw/zinc/15/63/65/550156365.db2.gz	PWEIKSVJHHOPDE-STQMWFEESA-N	1	1	362.861	2.387	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)OCC	ZINC000270126837	550250615	/nfs/dbraw/zinc/25/06/15/550250615.db2.gz	WVWKLJNKJMWHJB-GOSISDBHSA-N	1	1	359.470	2.384	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)OCC	ZINC000270139140	550251334	/nfs/dbraw/zinc/25/13/34/550251334.db2.gz	ZSDWQTCPTMCUQI-QZTJIDSGSA-N	1	1	359.470	2.446	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)OCC	ZINC000270139140	550251335	/nfs/dbraw/zinc/25/13/35/550251335.db2.gz	ZSDWQTCPTMCUQI-QZTJIDSGSA-N	1	1	359.470	2.446	20	30		FEEDMO
COCC1(O)CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1	ZINC000270393878	550268490	/nfs/dbraw/zinc/26/84/90/550268490.db2.gz	SWURDARBAMHMFR-UHFFFAOYSA-N	1	1	359.470	2.023	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)nn1CCC#N	ZINC000271192380	550350644	/nfs/dbraw/zinc/35/06/44/550350644.db2.gz	SLDHVBRXDPUZSP-BRWVUGGUSA-N	1	1	374.489	2.211	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@@H](NC(N)=O)C3)c2)c1	ZINC000271415895	550374001	/nfs/dbraw/zinc/37/40/01/550374001.db2.gz	YLNVCABCNHKDKS-GOSISDBHSA-N	1	1	350.422	2.380	20	30		FEEDMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C	ZINC000271882517	550408329	/nfs/dbraw/zinc/40/83/29/550408329.db2.gz	ZSRSFOHABFLHRG-VXGBXAGGSA-N	1	1	370.375	2.496	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C	ZINC000271882517	550408331	/nfs/dbraw/zinc/40/83/31/550408331.db2.gz	ZSRSFOHABFLHRG-VXGBXAGGSA-N	1	1	370.375	2.496	20	30		FEEDMO
C#CCCN1CC[NH+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1	ZINC000272004602	550415899	/nfs/dbraw/zinc/41/58/99/550415899.db2.gz	INOWDCXHOLROAN-VQIMIIECSA-N	1	1	350.890	2.419	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1	ZINC000272039840	550418488	/nfs/dbraw/zinc/41/84/88/550418488.db2.gz	QUYUKMNWWZZIMK-UHFFFAOYSA-N	1	1	369.465	2.308	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000272288099	550434820	/nfs/dbraw/zinc/43/48/20/550434820.db2.gz	COSYPWZUNFWHOM-LJQANCHMSA-N	1	1	362.518	2.292	20	30		FEEDMO
CCN(C[C@H]1COc2ccccc2O1)C(=O)C[NH+]1CCC(C)(C#N)CC1	ZINC000272572623	550458607	/nfs/dbraw/zinc/45/86/07/550458607.db2.gz	NGWQBKBJXPSHNC-INIZCTEOSA-N	1	1	357.454	2.301	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)ccc1OCC#N	ZINC000272657941	550463457	/nfs/dbraw/zinc/46/34/57/550463457.db2.gz	GHYPSRRDNSIMMC-ZKKXHLJNSA-N	1	1	355.438	2.377	20	30		FEEDMO
CN(C)C1(C#N)CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1	ZINC000275009370	550570136	/nfs/dbraw/zinc/57/01/36/550570136.db2.gz	DWZXJZWESUEBGL-QZTJIDSGSA-N	1	1	355.486	2.061	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C(F)F	ZINC000275460420	550572139	/nfs/dbraw/zinc/57/21/39/550572139.db2.gz	MSINWWFDLCAGIG-GHMZBOCLSA-N	1	1	365.384	2.482	20	30		FEEDMO
COCCC[N@H+](CCO)CC(=O)Nc1ccccc1S[C@H](C)CC#N	ZINC000275424022	550572202	/nfs/dbraw/zinc/57/22/02/550572202.db2.gz	IAKWYFMKHHQPGM-OAHLLOKOSA-N	1	1	365.499	2.350	20	30		FEEDMO
COCCC[N@@H+](CCO)CC(=O)Nc1ccccc1S[C@H](C)CC#N	ZINC000275424022	550572204	/nfs/dbraw/zinc/57/22/04/550572204.db2.gz	IAKWYFMKHHQPGM-OAHLLOKOSA-N	1	1	365.499	2.350	20	30		FEEDMO
C=CCC[N@H+](C)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000276368766	550578239	/nfs/dbraw/zinc/57/82/39/550578239.db2.gz	GSQQXJXSUNGYAZ-UHFFFAOYSA-N	1	1	365.499	2.308	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](c3ccco3)[NH+](C)C)CC2)o1	ZINC000276712907	550588069	/nfs/dbraw/zinc/58/80/69/550588069.db2.gz	ZQPACIPVULUADC-MRXNPFEDSA-N	1	1	371.441	2.083	20	30		FEEDMO
C#CCN1CCC(c2nc(-c3ccccc3OCC[NH+](C)C)no2)CC1	ZINC000277846087	550720980	/nfs/dbraw/zinc/72/09/80/550720980.db2.gz	JBYUGIFDPGIGBV-UHFFFAOYSA-N	1	1	354.454	2.490	20	30		FEEDMO
N#C[C@@H]1CC[C@@H]([N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1	ZINC000278600706	550802903	/nfs/dbraw/zinc/80/29/03/550802903.db2.gz	LWFWFBWJBDANBK-GDBMZVCRSA-N	1	1	351.447	2.214	20	30		FEEDMO
N#C[C@@H]1CC[C@@H]([N@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1	ZINC000278600706	550802904	/nfs/dbraw/zinc/80/29/04/550802904.db2.gz	LWFWFBWJBDANBK-GDBMZVCRSA-N	1	1	351.447	2.214	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C	ZINC000278992500	550844266	/nfs/dbraw/zinc/84/42/66/550844266.db2.gz	BOVHXPLXNQIMKB-QAPCUYQASA-N	1	1	367.453	2.490	20	30		FEEDMO
C=CCNC(=O)c1ccc(N2CC[NH+](Cc3ccccc3OC)CC2)nc1	ZINC000495327072	561486640	/nfs/dbraw/zinc/48/66/40/561486640.db2.gz	AOTOPUWGJLQLAV-UHFFFAOYSA-N	1	1	366.465	2.328	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc(F)c(C#N)c1	ZINC000279366406	550881975	/nfs/dbraw/zinc/88/19/75/550881975.db2.gz	GOTYKFPYRBCDTG-OAHLLOKOSA-N	1	1	367.428	2.033	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CC)CCC(=O)Nc2ccc3c(c2)OCO3)n1	ZINC000279749187	550924867	/nfs/dbraw/zinc/92/48/67/550924867.db2.gz	PYFLHTNIQRQFSO-UHFFFAOYSA-N	1	1	354.410	2.096	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CC)CCC(=O)Nc2ccc3c(c2)OCO3)n1	ZINC000279749187	550924868	/nfs/dbraw/zinc/92/48/68/550924868.db2.gz	PYFLHTNIQRQFSO-UHFFFAOYSA-N	1	1	354.410	2.096	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000280619746	551014103	/nfs/dbraw/zinc/01/41/03/551014103.db2.gz	RKWSEOKADIUETO-UHFFFAOYSA-N	1	1	352.438	2.137	20	30		FEEDMO
C=C(Cl)C[NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1	ZINC000280792450	551033176	/nfs/dbraw/zinc/03/31/76/551033176.db2.gz	UBNKDKGNWUWNOP-QMMMGPOBSA-N	1	1	353.669	2.500	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1=O	ZINC000281227950	551076077	/nfs/dbraw/zinc/07/60/77/551076077.db2.gz	KVOVZSWXGFLHRL-QGZVFWFLSA-N	1	1	360.454	2.074	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1OCCCC#N	ZINC000281241918	551076923	/nfs/dbraw/zinc/07/69/23/551076923.db2.gz	LWIZJFWJKMIFNG-CVEARBPZSA-N	1	1	359.426	2.308	20	30		FEEDMO
N#CC1(CCC[NH+]2CCN(C(=O)c3ccccc3O)CC2)CCOCC1	ZINC000282090782	551178995	/nfs/dbraw/zinc/17/89/95/551178995.db2.gz	VFPPUEQPDDVQOY-UHFFFAOYSA-N	1	1	357.454	2.251	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCOc2ccc(C#N)cc2OC)O1	ZINC000282398045	551223036	/nfs/dbraw/zinc/22/30/36/551223036.db2.gz	HKJPBIFGVBVXRO-YBKUAAOGSA-N	1	1	374.437	2.129	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCOc2ccc(C#N)cc2OC)O1	ZINC000282398045	551223038	/nfs/dbraw/zinc/22/30/38/551223038.db2.gz	HKJPBIFGVBVXRO-YBKUAAOGSA-N	1	1	374.437	2.129	20	30		FEEDMO
C=CCn1c(-c2cccnc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1	ZINC000282742700	551265559	/nfs/dbraw/zinc/26/55/59/551265559.db2.gz	YDBVXZHWTBUOEJ-UHFFFAOYSA-N	1	1	356.474	2.073	20	30		FEEDMO
C=CCn1c(-c2cccnc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1	ZINC000282742700	551265560	/nfs/dbraw/zinc/26/55/60/551265560.db2.gz	YDBVXZHWTBUOEJ-UHFFFAOYSA-N	1	1	356.474	2.073	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000282784149	551270024	/nfs/dbraw/zinc/27/00/24/551270024.db2.gz	XGGRNPUOVQOOLX-LLVKDONJSA-N	1	1	361.389	2.149	20	30		FEEDMO
Cc1cc(CO)oc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000282892002	551282393	/nfs/dbraw/zinc/28/23/93/551282393.db2.gz	GFCQBRJPJCKOBT-UHFFFAOYSA-N	1	1	353.422	2.300	20	30		FEEDMO
Cc1cc(CO)oc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000282892002	551282394	/nfs/dbraw/zinc/28/23/94/551282394.db2.gz	GFCQBRJPJCKOBT-UHFFFAOYSA-N	1	1	353.422	2.300	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c(F)c1	ZINC000283208204	551329508	/nfs/dbraw/zinc/32/95/08/551329508.db2.gz	IDWUQPFMQZCRTR-AWEZNQCLSA-N	1	1	363.408	2.121	20	30		FEEDMO
CN1CCO[C@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]21	ZINC000284233153	551506585	/nfs/dbraw/zinc/50/65/85/551506585.db2.gz	DPKYMUQDNHAIDR-PMACEKPBSA-N	1	1	365.481	2.369	20	30		FEEDMO
CN1CCO[C@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]21	ZINC000284233153	551506588	/nfs/dbraw/zinc/50/65/88/551506588.db2.gz	DPKYMUQDNHAIDR-PMACEKPBSA-N	1	1	365.481	2.369	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccccc1	ZINC000285471151	551761538	/nfs/dbraw/zinc/76/15/38/551761538.db2.gz	RLKOEFXGILQHMR-OALUTQOASA-N	1	1	350.422	2.145	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccccc1	ZINC000285471151	551761539	/nfs/dbraw/zinc/76/15/39/551761539.db2.gz	RLKOEFXGILQHMR-OALUTQOASA-N	1	1	350.422	2.145	20	30		FEEDMO
CN(CCC[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1)Cc1ccco1	ZINC000285522086	551769461	/nfs/dbraw/zinc/76/94/61/551769461.db2.gz	DYQLFFUQAZXYCP-SFHVURJKSA-N	1	1	357.454	2.345	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C	ZINC000285771416	551808156	/nfs/dbraw/zinc/80/81/56/551808156.db2.gz	DMBCBSOFXNYWJR-GGPKGHCWSA-N	1	1	370.497	2.117	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1	ZINC000285934363	551828969	/nfs/dbraw/zinc/82/89/69/551828969.db2.gz	ONXJMUYGFOWASA-KRWDZBQOSA-N	1	1	373.497	2.104	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000286034706	551841039	/nfs/dbraw/zinc/84/10/39/551841039.db2.gz	BGLRHMWJEVCXPB-ZIFCJYIRSA-N	1	1	370.472	2.466	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C[C@H]1C(N)=O	ZINC000286184660	551858762	/nfs/dbraw/zinc/85/87/62/551858762.db2.gz	NEZPJNFCEDEHLE-YWPYICTPSA-N	1	1	374.510	2.126	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1	ZINC000286684066	551914369	/nfs/dbraw/zinc/91/43/69/551914369.db2.gz	FTKSEYHLKBLGGC-KRWDZBQOSA-N	1	1	360.502	2.077	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000286716060	551917890	/nfs/dbraw/zinc/91/78/90/551917890.db2.gz	PHXRNAOXLCCGFX-HKUYNNGSSA-N	1	1	355.482	2.356	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000286816893	551929275	/nfs/dbraw/zinc/92/92/75/551929275.db2.gz	WNZGGJWZPULWES-LJQANCHMSA-N	1	1	370.497	2.310	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CC[N@H+]1Cc1ccccc1	ZINC000286816893	551929276	/nfs/dbraw/zinc/92/92/76/551929276.db2.gz	WNZGGJWZPULWES-LJQANCHMSA-N	1	1	370.497	2.310	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000287824099	552051569	/nfs/dbraw/zinc/05/15/69/552051569.db2.gz	BTRPIRZFRMRKJU-PKOBYXMFSA-N	1	1	357.498	2.438	20	30		FEEDMO
COc1cc(OC)c2ncc(C#N)c(NC[C@@H](C)[NH+]3CCN(C)CC3)c2c1	ZINC000287915376	552062525	/nfs/dbraw/zinc/06/25/25/552062525.db2.gz	OQVOHZMWHPACOX-CQSZACIVSA-N	1	1	369.469	2.171	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)Nc2cccc(NC(=O)CN(CC)CC)c2)CC1	ZINC000288067116	552084789	/nfs/dbraw/zinc/08/47/89/552084789.db2.gz	DXEVGNFHKZDYNM-UHFFFAOYSA-N	1	1	370.497	2.251	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1noc(C)c1C#N	ZINC000500020554	561564099	/nfs/dbraw/zinc/56/40/99/561564099.db2.gz	RTWDTFPVNBWHBN-KRWDZBQOSA-N	1	1	367.453	2.305	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C	ZINC000290470504	552483978	/nfs/dbraw/zinc/48/39/78/552483978.db2.gz	QKAYLAAXWXTBII-RHSMWYFYSA-N	1	1	358.442	2.284	20	30		FEEDMO
C=C[C@H](CO)Nc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21	ZINC000291219083	552601716	/nfs/dbraw/zinc/60/17/16/552601716.db2.gz	VVNQPYMNBDOHJM-LLVKDONJSA-N	1	1	364.471	2.197	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)c1cc(C[NH+]2CCCC2)on1	ZINC000291666394	552648888	/nfs/dbraw/zinc/64/88/88/552648888.db2.gz	LHCDDKCRCWZVSZ-UHFFFAOYSA-N	1	1	370.409	2.420	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@H+](C2CCC2)C1	ZINC000291839888	552666962	/nfs/dbraw/zinc/66/69/62/552666962.db2.gz	GRCPGEXETOJZMD-GFCCVEGCSA-N	1	1	369.437	2.331	20	30		FEEDMO
C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1	ZINC000292063756	552689970	/nfs/dbraw/zinc/68/99/70/552689970.db2.gz	CEDKUWDFEMMJBX-KSSFIOAISA-N	1	1	354.454	2.196	20	30		FEEDMO
C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1	ZINC000292063756	552689972	/nfs/dbraw/zinc/68/99/72/552689972.db2.gz	CEDKUWDFEMMJBX-KSSFIOAISA-N	1	1	354.454	2.196	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1	ZINC000292094845	552693266	/nfs/dbraw/zinc/69/32/66/552693266.db2.gz	HFRQRKFMUAGDJL-LJQANCHMSA-N	1	1	358.511	2.465	20	30		FEEDMO
COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292104288	552694099	/nfs/dbraw/zinc/69/40/99/552694099.db2.gz	GQFKENYXVLTHPP-RDTXWAMCSA-N	1	1	366.421	2.442	20	30		FEEDMO
COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292104288	552694101	/nfs/dbraw/zinc/69/41/01/552694101.db2.gz	GQFKENYXVLTHPP-RDTXWAMCSA-N	1	1	366.421	2.442	20	30		FEEDMO
COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292104285	552694261	/nfs/dbraw/zinc/69/42/61/552694261.db2.gz	GQFKENYXVLTHPP-KBXCAEBGSA-N	1	1	366.421	2.442	20	30		FEEDMO
COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292104285	552694262	/nfs/dbraw/zinc/69/42/62/552694262.db2.gz	GQFKENYXVLTHPP-KBXCAEBGSA-N	1	1	366.421	2.442	20	30		FEEDMO
Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292120141	552695861	/nfs/dbraw/zinc/69/58/61/552695861.db2.gz	HYMFROAUDQCIIK-MJGOQNOKSA-N	1	1	353.422	2.155	20	30		FEEDMO
N#C[C@@H]1CC[C@H]([NH+]2CCN(CC(=O)N3CCCc4ccccc43)CC2)C1	ZINC000292872780	552767398	/nfs/dbraw/zinc/76/73/98/552767398.db2.gz	SQWIJGOWFMZXJS-MJGOQNOKSA-N	1	1	352.482	2.276	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000293085822	552787592	/nfs/dbraw/zinc/78/75/92/552787592.db2.gz	SPVCAUIIGXAUSP-KRWDZBQOSA-N	1	1	368.441	2.101	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C2)C1	ZINC000293616016	552840628	/nfs/dbraw/zinc/84/06/28/552840628.db2.gz	DCEQNRRDHQTCTK-FQEVSTJZSA-N	1	1	354.454	2.221	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N(C)CCC[N@@H+](C)CCN(C)C	ZINC000294292170	552894666	/nfs/dbraw/zinc/89/46/66/552894666.db2.gz	SVMHNAAECORGJJ-UHFFFAOYSA-N	1	1	361.490	2.304	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N(C)CCCN(C)CC[NH+](C)C	ZINC000294292170	552894667	/nfs/dbraw/zinc/89/46/67/552894667.db2.gz	SVMHNAAECORGJJ-UHFFFAOYSA-N	1	1	361.490	2.304	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+](C2CC2)C1	ZINC000296398787	553153151	/nfs/dbraw/zinc/15/31/51/553153151.db2.gz	XVWZFANOSPNRER-HNNXBMFYSA-N	1	1	368.481	2.369	20	30		FEEDMO
N#Cc1cc(Br)cnc1N1CCC[C@H](C[NH+]2CCOCC2)C1	ZINC000296808022	553214384	/nfs/dbraw/zinc/21/43/84/553214384.db2.gz	PYHWCNCYJNAWFS-CYBMUJFWSA-N	1	1	365.275	2.264	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000296956307	553234950	/nfs/dbraw/zinc/23/49/50/553234950.db2.gz	QPRJYAAETNZQDS-UHFFFAOYSA-N	1	1	356.470	2.002	20	30		FEEDMO
Cc1nsc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1C#N	ZINC000297343397	553280791	/nfs/dbraw/zinc/28/07/91/553280791.db2.gz	FIBQUKTVCPUPKZ-SGMGOOAPSA-N	1	1	363.487	2.429	20	30		FEEDMO
C[C@H](C#N)N(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000297929443	553358739	/nfs/dbraw/zinc/35/87/39/553358739.db2.gz	SAUKKYPEJLQHGQ-LZQZEXGQSA-N	1	1	351.454	2.006	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](C)C[C@H](O)c1cccc(Br)c1	ZINC000298083316	553381797	/nfs/dbraw/zinc/38/17/97/553381797.db2.gz	HQSIWXPHZSHERX-HNNXBMFYSA-N	1	1	368.275	2.176	20	30		FEEDMO
N#Cc1ccnc(N2CC[NH+](C[C@@H](O)COc3ccccc3Cl)CC2)c1	ZINC000298583252	553444300	/nfs/dbraw/zinc/44/43/00/553444300.db2.gz	NCLCHIGOLYEMQD-MRXNPFEDSA-N	1	1	372.856	2.169	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000298593028	553446096	/nfs/dbraw/zinc/44/60/96/553446096.db2.gz	ZAYCFEDABSOWEU-OAHLLOKOSA-N	1	1	356.470	2.417	20	30		FEEDMO
C[C@@H](C[S@](C)=O)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000299064643	553510396	/nfs/dbraw/zinc/51/03/96/553510396.db2.gz	SQEMJKQRWVUDMP-RULNZOCKSA-N	1	1	353.513	2.136	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1Cl	ZINC000299525073	553575841	/nfs/dbraw/zinc/57/58/41/553575841.db2.gz	DDUWRJSNGYTHDG-OAHLLOKOSA-N	1	1	360.845	2.237	20	30		FEEDMO
N#Cc1cccc(NC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000299545443	553579360	/nfs/dbraw/zinc/57/93/60/553579360.db2.gz	KBBZMSOZDZYKFY-UHFFFAOYSA-N	1	1	364.453	2.287	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cccc(CSc3nccn3C)c2)CC1	ZINC000299585808	553584724	/nfs/dbraw/zinc/58/47/24/553584724.db2.gz	CMONBCVKJZRNHL-UHFFFAOYSA-N	1	1	368.506	2.494	20	30		FEEDMO
C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000504445528	561658443	/nfs/dbraw/zinc/65/84/43/561658443.db2.gz	JTTWDXMWGIHKQP-QWRGUYRKSA-N	1	1	369.874	2.094	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)C1CN(C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000504657653	561660719	/nfs/dbraw/zinc/66/07/19/561660719.db2.gz	HBLMGTUAQTULPL-OAQYLSRUSA-N	1	1	365.477	2.309	20	30		FEEDMO
C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[N@@H+](C)Cc1ccccc1	ZINC000301393575	553647761	/nfs/dbraw/zinc/64/77/61/553647761.db2.gz	JMHLAEHXNZFEJD-AWEZNQCLSA-N	1	1	358.467	2.138	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1	ZINC000504994357	561665165	/nfs/dbraw/zinc/66/51/65/561665165.db2.gz	ODNPGWCGNUPZEL-HNNXBMFYSA-N	1	1	372.469	2.357	20	30		FEEDMO
C=C(C)C[NH+]1CCC(Nc2ncnc3ccc(S(C)(=O)=O)cc32)CC1	ZINC000302919496	553741978	/nfs/dbraw/zinc/74/19/78/553741978.db2.gz	YNKJZTNMVGHYRC-UHFFFAOYSA-N	1	1	360.483	2.486	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000312626589	553756678	/nfs/dbraw/zinc/75/66/78/553756678.db2.gz	IDVSWESSAIDIGI-NHCUHLMSSA-N	1	1	365.477	2.410	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+](Cc2ccccc2)C1	ZINC000324210927	553771527	/nfs/dbraw/zinc/77/15/27/553771527.db2.gz	XNNLNYKFHIGTHK-MRXNPFEDSA-N	1	1	370.478	2.096	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000324210927	553771530	/nfs/dbraw/zinc/77/15/30/553771530.db2.gz	XNNLNYKFHIGTHK-MRXNPFEDSA-N	1	1	370.478	2.096	20	30		FEEDMO
C[C@]1(CO)CCC[C@@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000328600666	553794791	/nfs/dbraw/zinc/79/47/91/553794791.db2.gz	DENZQMPRDGIUCP-AZUAARDMSA-N	1	1	361.486	2.438	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000328609475	553795918	/nfs/dbraw/zinc/79/59/18/553795918.db2.gz	MTZYILOXVBPPTO-RYRKJORJSA-N	1	1	351.491	2.067	20	30		FEEDMO
Cc1ccc2c(c1)nc(CNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)n2C	ZINC000328685681	553807357	/nfs/dbraw/zinc/80/73/57/553807357.db2.gz	FTPMESDANOUGHS-MRXNPFEDSA-N	1	1	373.501	2.242	20	30		FEEDMO
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCCC[C@@H]1C[NH+]1CCOCC1	ZINC000328685475	553807491	/nfs/dbraw/zinc/80/74/91/553807491.db2.gz	FQSFSSFPRBUZHC-HZPDHXFCSA-N	1	1	364.490	2.129	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCCC23CCOCC3)CC1	ZINC000328689501	553807832	/nfs/dbraw/zinc/80/78/32/553807832.db2.gz	BIRMHCBDCOVBBX-QZTJIDSGSA-N	1	1	366.550	2.113	20	30		FEEDMO
CS(=O)(=O)N1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1	ZINC000328699342	553809022	/nfs/dbraw/zinc/80/90/22/553809022.db2.gz	VMYHBPHTWCHGII-INIZCTEOSA-N	1	1	357.520	2.022	20	30		FEEDMO
CSC[C@H](C)C(=O)N1CCC(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1	ZINC000328709738	553810710	/nfs/dbraw/zinc/81/07/10/553810710.db2.gz	MPAGZOHQEWWGFD-ZFWWWQNUSA-N	1	1	353.532	2.417	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN(C3CC3)C(=O)C2)C1	ZINC000328723709	553812587	/nfs/dbraw/zinc/81/25/87/553812587.db2.gz	SJSCRSIXVWHTOH-WBVHZDCISA-N	1	1	356.470	2.043	20	30		FEEDMO
C[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1	ZINC000328724701	553812790	/nfs/dbraw/zinc/81/27/90/553812790.db2.gz	SWTWTSKJVKNQDE-CBBWQLFWSA-N	1	1	364.469	2.152	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)N[C@@H]1CCCc2nn(C)cc21)[NH+]1CCOCC1	ZINC000328786009	553822311	/nfs/dbraw/zinc/82/23/11/553822311.db2.gz	IXLFAILRFPNJRA-NVXWUHKLSA-N	1	1	363.506	2.048	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000328835518	553830083	/nfs/dbraw/zinc/83/00/83/553830083.db2.gz	MJLPOXRJPOJMKI-ASPXRTSYSA-N	1	1	360.502	2.002	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000328835518	553830085	/nfs/dbraw/zinc/83/00/85/553830085.db2.gz	MJLPOXRJPOJMKI-ASPXRTSYSA-N	1	1	360.502	2.002	20	30		FEEDMO
CC(C)(C)N1C[C@H](C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC1=O	ZINC000328838310	553830716	/nfs/dbraw/zinc/83/07/16/553830716.db2.gz	NPYVDOCXYMSDEH-SQNIBIBYSA-N	1	1	373.497	2.225	20	30		FEEDMO
O=C(CN1CC[NH+](CCC(=O)N2CCCCC2)CC1)NC1CCCCC1	ZINC000328953328	553852121	/nfs/dbraw/zinc/85/21/21/553852121.db2.gz	MJADDFDFWFDFEW-UHFFFAOYSA-N	1	1	364.534	2.296	20	30		FEEDMO
C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1nc2c(s1)CCC2	ZINC000328979874	553857878	/nfs/dbraw/zinc/85/78/78/553857878.db2.gz	RFALCNRZXOTYEO-DFHBCGBQSA-N	1	1	365.499	2.472	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NCC[N@H+]1CCC[C@@H](C)C1	ZINC000329023887	553866235	/nfs/dbraw/zinc/86/62/35/553866235.db2.gz	IWZXNKJRJVNHHP-ZJPYXAASSA-N	1	1	353.507	2.148	20	30		FEEDMO
C[N@H+]1CC[C@@H]2OCCN(CC(=O)Nc3nc4c(s3)CCCC4)[C@H]2C1	ZINC000329030494	553867981	/nfs/dbraw/zinc/86/79/81/553867981.db2.gz	PMPWIEHFQDQTCW-KBPBESRZSA-N	1	1	350.488	2.015	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC[C@H]1Cn1cc(C2CC2)nn1	ZINC000329037390	553868917	/nfs/dbraw/zinc/86/89/17/553868917.db2.gz	NGRHFYOPKFGROX-JZXOWHBKSA-N	1	1	358.490	2.161	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCC[C@H]1Cn1cc(C2CC2)nn1	ZINC000329037390	553868922	/nfs/dbraw/zinc/86/89/22/553868922.db2.gz	NGRHFYOPKFGROX-JZXOWHBKSA-N	1	1	358.490	2.161	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCC[C@H]1Cn1cc(C2CC2)nn1	ZINC000329037390	553868927	/nfs/dbraw/zinc/86/89/27/553868927.db2.gz	NGRHFYOPKFGROX-JZXOWHBKSA-N	1	1	358.490	2.161	20	30		FEEDMO
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000329107226	553881569	/nfs/dbraw/zinc/88/15/69/553881569.db2.gz	HWFDVADAVRMFFB-WSTZPKSXSA-N	1	1	360.454	2.182	20	30		FEEDMO
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000329107226	553881571	/nfs/dbraw/zinc/88/15/71/553881571.db2.gz	HWFDVADAVRMFFB-WSTZPKSXSA-N	1	1	360.454	2.182	20	30		FEEDMO
C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000329108370	553882262	/nfs/dbraw/zinc/88/22/62/553882262.db2.gz	FPFWIXBZOGMCFO-BBRMVZONSA-N	1	1	351.447	2.086	20	30		FEEDMO
C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000329108370	553882264	/nfs/dbraw/zinc/88/22/64/553882264.db2.gz	FPFWIXBZOGMCFO-BBRMVZONSA-N	1	1	351.447	2.086	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C	ZINC000329110747	553882294	/nfs/dbraw/zinc/88/22/94/553882294.db2.gz	GMVXFVVJLQMXDX-BBWFWOEESA-N	1	1	365.522	2.246	20	30		FEEDMO
Cn1c(C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc2ccccc2c1=O	ZINC000329112235	553882519	/nfs/dbraw/zinc/88/25/19/553882519.db2.gz	RHSAEEQVYIEUGU-UHFFFAOYSA-N	1	1	370.497	2.259	20	30		FEEDMO
C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000329115157	553883183	/nfs/dbraw/zinc/88/31/83/553883183.db2.gz	MMANITSPUMAJAY-SFFUCWETSA-N	1	1	353.507	2.432	20	30		FEEDMO
C[C@H](C[C@@H]1CCCO1)NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000329115157	553883186	/nfs/dbraw/zinc/88/31/86/553883186.db2.gz	MMANITSPUMAJAY-SFFUCWETSA-N	1	1	353.507	2.432	20	30		FEEDMO
Cc1nsc(N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N	ZINC000329214920	553904241	/nfs/dbraw/zinc/90/42/41/553904241.db2.gz	LWVGVTKRJMSJTH-KBPBESRZSA-N	1	1	364.515	2.418	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H](NC(=O)N1CC[C@H]([NH+]3CCCCC3)C1)CC2	ZINC000329269403	553914041	/nfs/dbraw/zinc/91/40/41/553914041.db2.gz	FDVJWQKKQNQJRY-CVEARBPZSA-N	1	1	360.506	2.191	20	30		FEEDMO
O=C(NCc1ccc(CN2CCCC2=O)cc1)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000329317359	553923886	/nfs/dbraw/zinc/92/38/86/553923886.db2.gz	SNBWAKYXQDAYKQ-QGZVFWFLSA-N	1	1	356.470	2.049	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)N[C@H](C)[C@H]3CCCOC3)CC2)nc(C)[nH+]1	ZINC000329320274	553924391	/nfs/dbraw/zinc/92/43/91/553924391.db2.gz	DWSZHYFGVKYMDX-ZBFHGGJFSA-N	1	1	361.490	2.381	20	30		FEEDMO
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1	ZINC000329354882	553930729	/nfs/dbraw/zinc/93/07/29/553930729.db2.gz	FKKIUOVEJNGFGQ-OIISXLGYSA-N	1	1	371.547	2.458	20	30		FEEDMO
C[C@H](CN1CCOCC1)C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1	ZINC000329369660	553933756	/nfs/dbraw/zinc/93/37/56/553933756.db2.gz	JOFYHQYSKAJUQH-MRXNPFEDSA-N	1	1	361.486	2.200	20	30		FEEDMO
CC[C@@]1(C)CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCO1	ZINC000329417382	553942390	/nfs/dbraw/zinc/94/23/90/553942390.db2.gz	DKWLQKVYQHEXPA-WDYCEAGBSA-N	1	1	363.506	2.218	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCCSCC2)CCC[N@H+]1C	ZINC000329490101	553956549	/nfs/dbraw/zinc/95/65/49/553956549.db2.gz	SJNFVYDODBLMCM-GOEBONIOSA-N	1	1	351.520	2.156	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000329512869	553959825	/nfs/dbraw/zinc/95/98/25/553959825.db2.gz	XVTNJQOFXALCPB-BDPHEOEISA-N	1	1	367.534	2.129	20	30		FEEDMO
C[N@@H+](CCO)C1CCN(C(=O)Nc2ccc(OC3CCCC3)nc2)CC1	ZINC000329546915	553965905	/nfs/dbraw/zinc/96/59/05/553965905.db2.gz	DOGUGBNNIQAWQP-UHFFFAOYSA-N	1	1	362.474	2.337	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)C1	ZINC000329562236	553968155	/nfs/dbraw/zinc/96/81/55/553968155.db2.gz	RRPKWORBIWHTGN-MSOLQXFVSA-N	1	1	364.534	2.213	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2cn(C)nc2C2CC2)C[C@H](C)O1	ZINC000329598509	553974538	/nfs/dbraw/zinc/97/45/38/553974538.db2.gz	DCDNWCSQKDEZSJ-LZWOXQAQSA-N	1	1	361.490	2.417	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2cn(C)nc2C2CC2)C[C@H](C)O1	ZINC000329598509	553974539	/nfs/dbraw/zinc/97/45/39/553974539.db2.gz	DCDNWCSQKDEZSJ-LZWOXQAQSA-N	1	1	361.490	2.417	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)[C@@]12CCCO2	ZINC000329603986	553975116	/nfs/dbraw/zinc/97/51/16/553975116.db2.gz	YRQXPPWURAXYLG-ILYVXUQDSA-N	1	1	353.507	2.432	20	30		FEEDMO
C[C@H]1[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCC12CCOCC2	ZINC000329659097	553984210	/nfs/dbraw/zinc/98/42/10/553984210.db2.gz	HNFDRXJESOVTLA-CYBMUJFWSA-N	1	1	374.420	2.280	20	30		FEEDMO
C[C@@H]1C[C@H](CCNC(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)CCO1	ZINC000329753456	554000278	/nfs/dbraw/zinc/00/02/78/554000278.db2.gz	KAIODPNPQBXJMI-IXDOHACOSA-N	1	1	353.507	2.291	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@H+]1C	ZINC000329791928	554006816	/nfs/dbraw/zinc/00/68/16/554006816.db2.gz	FCISGIPURAYZRA-IAGOWNOFSA-N	1	1	352.523	2.008	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)NCC2(N3CCOCC3)CCCCC2)CC[N@H+]1C	ZINC000329791928	554006818	/nfs/dbraw/zinc/00/68/18/554006818.db2.gz	FCISGIPURAYZRA-IAGOWNOFSA-N	1	1	352.523	2.008	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C[C@H]1C	ZINC000329796237	554007603	/nfs/dbraw/zinc/00/76/03/554007603.db2.gz	WUGVBUMQACOUDM-IXDOHACOSA-N	1	1	353.507	2.169	20	30		FEEDMO
O=C(NCCOc1ccc(F)cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1	ZINC000329801246	554008688	/nfs/dbraw/zinc/00/86/88/554008688.db2.gz	IYLFYPGLRXYXJT-QGZVFWFLSA-N	1	1	365.449	2.305	20	30		FEEDMO
C[C@@H]1C[N@@H+](C2CCN(C(=O)NCC3C[C@H](C)O[C@@H](C)C3)CC2)CCO1	ZINC000329809619	554009621	/nfs/dbraw/zinc/00/96/21/554009621.db2.gz	QEJYLWWLHAEOQZ-HRCADAONSA-N	1	1	353.507	2.289	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCc3c[nH]nc3C2)C[N@H+]1Cc1ccccc1	ZINC000329824141	554012944	/nfs/dbraw/zinc/01/29/44/554012944.db2.gz	HSECMSBCFKRBSM-JLSDUUJJSA-N	1	1	353.470	2.434	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(F)cc3)CC2)c(F)c1	ZINC000507201658	561720889	/nfs/dbraw/zinc/72/08/89/561720889.db2.gz	GCTQBCMHZVVXFV-KRWDZBQOSA-N	1	1	373.403	2.398	20	30		FEEDMO
O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N[C@H]1CCc2c[nH]nc2C1	ZINC000329840078	554016398	/nfs/dbraw/zinc/01/63/98/554016398.db2.gz	OANIXIRJEYBQJB-ROUUACIJSA-N	1	1	353.470	2.435	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H](C)O1	ZINC000329867664	554021817	/nfs/dbraw/zinc/02/18/17/554021817.db2.gz	WHYYXAXHWBZVQO-VXGBXAGGSA-N	1	1	354.451	2.001	20	30		FEEDMO
CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000507361922	561726289	/nfs/dbraw/zinc/72/62/89/561726289.db2.gz	SHSCUTNFPUDMPN-TWOQFEAHSA-N	1	1	364.534	2.302	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1cccc(F)c1	ZINC000507381176	561727259	/nfs/dbraw/zinc/72/72/59/561727259.db2.gz	MJWSRRPQAUKWLE-GOSISDBHSA-N	1	1	361.442	2.420	20	30		FEEDMO
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C2CC2)on1	ZINC000329990141	554045125	/nfs/dbraw/zinc/04/51/25/554045125.db2.gz	VXEFFQSMCYUFAS-JLJPHGGASA-N	1	1	350.438	2.479	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C[C@@H]1C	ZINC000330000247	554047203	/nfs/dbraw/zinc/04/72/03/554047203.db2.gz	WCSKRSUHZXIHTE-SCNOPHJPSA-N	1	1	362.474	2.336	20	30		FEEDMO
O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cn([C@H]2CCOC2)nn1	ZINC000330035179	554052682	/nfs/dbraw/zinc/05/26/82/554052682.db2.gz	BQSDQHPHSHUHBF-HNNXBMFYSA-N	1	1	373.482	2.425	20	30		FEEDMO
C[C@H](NC(=O)N1CC[C@H](N2CCCC2=O)C1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000330034781	554052732	/nfs/dbraw/zinc/05/27/32/554052732.db2.gz	BHUQKGVZGLBBSP-BQFCYCMXSA-N	1	1	362.518	2.250	20	30		FEEDMO
CS(=O)(=O)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1	ZINC000330170499	554077959	/nfs/dbraw/zinc/07/79/59/554077959.db2.gz	BTDOQOUEKIXRAR-NVXWUHKLSA-N	1	1	371.547	2.064	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCOC3(CCC3)C2)C[C@H](C)O1	ZINC000330212095	554086196	/nfs/dbraw/zinc/08/61/96/554086196.db2.gz	DLDCJJIMYVWYMN-OWCLPIDISA-N	1	1	353.507	2.480	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCOC3(CCC3)C2)C[C@H](C)O1	ZINC000330212095	554086201	/nfs/dbraw/zinc/08/62/01/554086201.db2.gz	DLDCJJIMYVWYMN-OWCLPIDISA-N	1	1	353.507	2.480	20	30		FEEDMO
O=C(Nc1nccn1-c1ccccc1)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000330261656	554095359	/nfs/dbraw/zinc/09/53/59/554095359.db2.gz	UKFHJAGZAJQVPK-INIZCTEOSA-N	1	1	355.442	2.072	20	30		FEEDMO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1	ZINC000330323642	554105022	/nfs/dbraw/zinc/10/50/22/554105022.db2.gz	HUAQIOYLVQPCHH-SKDZVZGDSA-N	1	1	363.506	2.102	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1	ZINC000330410923	554118292	/nfs/dbraw/zinc/11/82/92/554118292.db2.gz	JXIVLEKXBQZSTR-RDJZCZTQSA-N	1	1	356.536	2.099	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000330427866	554120401	/nfs/dbraw/zinc/12/04/01/554120401.db2.gz	UDMYARSDLWCAEF-JZXOWHBKSA-N	1	1	364.515	2.108	20	30		FEEDMO
COc1cc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc(OC)c1OC	ZINC000330831708	554176658	/nfs/dbraw/zinc/17/66/58/554176658.db2.gz	HDTMGUVZHBOJSK-OAHLLOKOSA-N	1	1	365.474	2.398	20	30		FEEDMO
C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000330963883	554194679	/nfs/dbraw/zinc/19/46/79/554194679.db2.gz	BUAUHGFFLYHXLD-MWDXBVQZSA-N	1	1	355.523	2.271	20	30		FEEDMO
C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000330963883	554194680	/nfs/dbraw/zinc/19/46/80/554194680.db2.gz	BUAUHGFFLYHXLD-MWDXBVQZSA-N	1	1	355.523	2.271	20	30		FEEDMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2cc(Cl)c(Cl)cn2)CC1	ZINC000330968261	554195237	/nfs/dbraw/zinc/19/52/37/554195237.db2.gz	DYVYCJXYRKBJCD-UHFFFAOYSA-N	1	1	374.272	2.030	20	30		FEEDMO
CC(C)NC(=O)NC1(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CCCCC1	ZINC000331009128	554200702	/nfs/dbraw/zinc/20/07/02/554200702.db2.gz	RAQVZNBBZWFUBJ-HZPDHXFCSA-N	1	1	352.523	2.446	20	30		FEEDMO
C=CCn1c(CCCc2cccs2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1	ZINC000508499235	561763755	/nfs/dbraw/zinc/76/37/55/561763755.db2.gz	YKKUGZRUQLWKBI-INIZCTEOSA-N	1	1	373.526	2.222	20	30		FEEDMO
C=CCn1c(CCCc2cccs2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1	ZINC000508499235	561763756	/nfs/dbraw/zinc/76/37/56/561763756.db2.gz	YKKUGZRUQLWKBI-INIZCTEOSA-N	1	1	373.526	2.222	20	30		FEEDMO
Cc1cccc(CC2(O)CC[NH+](CC(=O)NC(=O)NCC(C)C)CC2)c1	ZINC000331140682	554220562	/nfs/dbraw/zinc/22/05/62/554220562.db2.gz	XDDXLFBSVDYCEX-UHFFFAOYSA-N	1	1	361.486	2.051	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc(C(N)=O)cc1F	ZINC000331310175	554245520	/nfs/dbraw/zinc/24/55/20/554245520.db2.gz	YQGXHKJMTAMJBK-LLVKDONJSA-N	1	1	352.410	2.032	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+](C)CC(=O)N2CCC[C@H](C(=O)OCC)C2)cc1	ZINC000508876660	561776158	/nfs/dbraw/zinc/77/61/58/561776158.db2.gz	YGKDRIFVSJBLTL-SFHVURJKSA-N	1	1	374.481	2.485	20	30		FEEDMO
C=CCOc1ccc(C[N@H+](C)CC(=O)N2CCC[C@H](C(=O)OCC)C2)cc1	ZINC000508876660	561776159	/nfs/dbraw/zinc/77/61/59/561776159.db2.gz	YGKDRIFVSJBLTL-SFHVURJKSA-N	1	1	374.481	2.485	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000331435419	554264482	/nfs/dbraw/zinc/26/44/82/554264482.db2.gz	ZDJBVKBTGFBUOX-RDJZCZTQSA-N	1	1	354.454	2.220	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000331435419	554264487	/nfs/dbraw/zinc/26/44/87/554264487.db2.gz	ZDJBVKBTGFBUOX-RDJZCZTQSA-N	1	1	354.454	2.220	20	30		FEEDMO
C=CCn1c(CC2CC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000508954918	561779351	/nfs/dbraw/zinc/77/93/51/561779351.db2.gz	CIPYCNJFUIONHW-UHFFFAOYSA-N	1	1	372.561	2.411	20	30		FEEDMO
CC(=O)N[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000331962847	554353581	/nfs/dbraw/zinc/35/35/81/554353581.db2.gz	PVUDNILDHOMCGL-AWEZNQCLSA-N	1	1	374.510	2.428	20	30		FEEDMO
C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC(C)(C#N)CC1	ZINC000332062009	554372534	/nfs/dbraw/zinc/37/25/34/554372534.db2.gz	YHQQQDBNKACRHQ-HZPDHXFCSA-N	1	1	357.454	2.299	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC=C(c3ccco3)C2)CC1	ZINC000332460883	554450255	/nfs/dbraw/zinc/45/02/55/554450255.db2.gz	VIOPKTUXFJQRAB-SFHVURJKSA-N	1	1	356.470	2.061	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC=C(c3ccco3)C2)CC1	ZINC000332460883	554450258	/nfs/dbraw/zinc/45/02/58/554450258.db2.gz	VIOPKTUXFJQRAB-SFHVURJKSA-N	1	1	356.470	2.061	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[nH]1	ZINC000610561132	554528375	/nfs/dbraw/zinc/52/83/75/554528375.db2.gz	PPTLJFXAJWZLFB-ZDUSSCGKSA-N	1	1	358.471	2.387	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NCC2CC[NH+](Cc3ccccc3)CC2)[nH]1	ZINC000610564688	554530364	/nfs/dbraw/zinc/53/03/64/554530364.db2.gz	KVMKEXXTQHZDCU-UHFFFAOYSA-N	1	1	352.442	2.325	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)[nH]1	ZINC000610565055	554530770	/nfs/dbraw/zinc/53/07/70/554530770.db2.gz	OQSJDQKZCLDYGE-UHFFFAOYSA-N	1	1	374.489	2.227	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)[nH]1	ZINC000610565055	554530775	/nfs/dbraw/zinc/53/07/75/554530775.db2.gz	OQSJDQKZCLDYGE-UHFFFAOYSA-N	1	1	374.489	2.227	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1=O	ZINC000348559636	554688572	/nfs/dbraw/zinc/68/85/72/554688572.db2.gz	CCOGFDZHOWYPJT-WDSOQIARSA-N	1	1	371.481	2.410	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(C#N)cc2C)cn1	ZINC000361355236	554918506	/nfs/dbraw/zinc/91/85/06/554918506.db2.gz	WMHCUVFNUZSYOS-UHFFFAOYSA-N	1	1	367.434	2.234	20	30		FEEDMO
CN(c1ncc(C#N)cc1Cl)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000361830723	554936983	/nfs/dbraw/zinc/93/69/83/554936983.db2.gz	OONCOUFOTDBQHK-UHFFFAOYSA-N	1	1	361.877	2.130	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000362235512	554957324	/nfs/dbraw/zinc/95/73/24/554957324.db2.gz	KTEQDLCUKCYLIP-INIZCTEOSA-N	1	1	350.507	2.117	20	30		FEEDMO
COCCCNC(=O)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000362375117	554966949	/nfs/dbraw/zinc/96/69/49/554966949.db2.gz	AKVLMYHSRWLIIE-UHFFFAOYSA-N	1	1	369.469	2.048	20	30		FEEDMO
COCCCNC(=O)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000362375117	554966950	/nfs/dbraw/zinc/96/69/50/554966950.db2.gz	AKVLMYHSRWLIIE-UHFFFAOYSA-N	1	1	369.469	2.048	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)C1(C#N)CCCCC1	ZINC000511643185	561876030	/nfs/dbraw/zinc/87/60/30/561876030.db2.gz	YVCSBZDKOPRXFZ-ZIAGYGMSSA-N	1	1	361.408	2.164	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)C1(C#N)CCCCC1	ZINC000511643185	561876031	/nfs/dbraw/zinc/87/60/31/561876031.db2.gz	YVCSBZDKOPRXFZ-ZIAGYGMSSA-N	1	1	361.408	2.164	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000362971808	555004537	/nfs/dbraw/zinc/00/45/37/555004537.db2.gz	YXUDMVFURRREMY-RTBURBONSA-N	1	1	356.470	2.343	20	30		FEEDMO
C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)n1cnc(C#N)n1	ZINC000511743368	561879353	/nfs/dbraw/zinc/87/93/53/561879353.db2.gz	MZIPWABGBKRMJW-NVXWUHKLSA-N	1	1	366.469	2.128	20	30		FEEDMO
Cn1ncc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1C#N	ZINC000511753208	561879622	/nfs/dbraw/zinc/87/96/22/561879622.db2.gz	CHXIVTRNPGJQRQ-GOSISDBHSA-N	1	1	351.454	2.322	20	30		FEEDMO
CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1	ZINC000363407025	555097704	/nfs/dbraw/zinc/09/77/04/555097704.db2.gz	RPBXTQRQPCVPKQ-LJQANCHMSA-N	1	1	355.486	2.020	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1	ZINC000363515024	555124874	/nfs/dbraw/zinc/12/48/74/555124874.db2.gz	AUBMMUYRRYMPQB-HKUYNNGSSA-N	1	1	357.454	2.087	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1	ZINC000363650349	555155192	/nfs/dbraw/zinc/15/51/92/555155192.db2.gz	DPOFTASPPGJLMB-CQSZACIVSA-N	1	1	365.437	2.108	20	30		FEEDMO
C=CCN=c1[nH]cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)s1	ZINC000363706122	555168227	/nfs/dbraw/zinc/16/82/27/555168227.db2.gz	AAMRHWJSJKYIRG-INIZCTEOSA-N	1	1	371.510	2.778	20	30		FEEDMO
N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1	ZINC000364089697	555247670	/nfs/dbraw/zinc/24/76/70/555247670.db2.gz	BJPLMHHTVGPYOD-HXUWFJFHSA-N	1	1	363.465	2.398	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](n3cncn3)C2)c1	ZINC000364490936	555322994	/nfs/dbraw/zinc/32/29/94/555322994.db2.gz	BFFKKVPXJFPBIP-MSOLQXFVSA-N	1	1	366.469	2.477	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](n3cncn3)C2)c1	ZINC000364490936	555322996	/nfs/dbraw/zinc/32/29/96/555322996.db2.gz	BFFKKVPXJFPBIP-MSOLQXFVSA-N	1	1	366.469	2.477	20	30		FEEDMO
C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000512506054	561907956	/nfs/dbraw/zinc/90/79/56/561907956.db2.gz	GNPAXZDTDAKJOZ-INIZCTEOSA-N	1	1	354.520	2.124	20	30		FEEDMO
C=CCN(C(=O)NCCOCCOC)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364914298	555435891	/nfs/dbraw/zinc/43/58/91/555435891.db2.gz	NHQGVCXBCZGHHT-IBGZPJMESA-N	1	1	361.486	2.122	20	30		FEEDMO
CCOC(=O)C1CCC(O)(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)CC1	ZINC000365246659	555522058	/nfs/dbraw/zinc/52/20/58/555522058.db2.gz	OOZRDMZBUGVWSF-MOMVYJMYSA-N	1	1	372.465	2.416	20	30		FEEDMO
CCOC(=O)C1CCC(O)(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)CC1	ZINC000365246659	555522059	/nfs/dbraw/zinc/52/20/59/555522059.db2.gz	OOZRDMZBUGVWSF-MOMVYJMYSA-N	1	1	372.465	2.416	20	30		FEEDMO
C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1	ZINC000365534192	555601183	/nfs/dbraw/zinc/60/11/83/555601183.db2.gz	FKJUILUIZBMJQC-FFZOFVMBSA-N	1	1	356.466	2.318	20	30		FEEDMO
CC(C)c1[nH+]ccn1CCC(=O)N1CCN(c2ccc(C#N)nc2)CC1	ZINC000365791891	555668330	/nfs/dbraw/zinc/66/83/30/555668330.db2.gz	XSZKLPCEXIUVRN-UHFFFAOYSA-N	1	1	352.442	2.012	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC([NH+]2CCN(CCC)CC2)CC1	ZINC000365945853	555707855	/nfs/dbraw/zinc/70/78/55/555707855.db2.gz	DDCQRYSUDXDPHI-WOJBJXKFSA-N	1	1	363.546	2.376	20	30		FEEDMO
N#CCOc1ccc(/C=C/C(=O)NCC2([NH+]3CCOCC3)CCCC2)cc1	ZINC000366223017	555785935	/nfs/dbraw/zinc/78/59/35/555785935.db2.gz	QRFYCACAZOCMOA-VMPITWQZSA-N	1	1	369.465	2.363	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000366547371	555873685	/nfs/dbraw/zinc/87/36/85/555873685.db2.gz	ZLDONUOLVIJQSL-OWCLPIDISA-N	1	1	364.490	2.078	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNCC(=O)N[C@@](C)(C#N)C2CC2)[C@H]1c1ccccc1	ZINC000367485479	556063128	/nfs/dbraw/zinc/06/31/28/556063128.db2.gz	YPYBNEFMIBQUMS-UIFIKXQLSA-N	1	1	354.498	2.468	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)CC1	ZINC000367552208	556080862	/nfs/dbraw/zinc/08/08/62/556080862.db2.gz	MTSDLMXFOKSMSS-IAGOWNOFSA-N	1	1	361.490	2.057	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)CC1	ZINC000367552208	556080865	/nfs/dbraw/zinc/08/08/65/556080865.db2.gz	MTSDLMXFOKSMSS-IAGOWNOFSA-N	1	1	361.490	2.057	20	30		FEEDMO
N#C[C@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@]12C(=O)Nc1ccccc12	ZINC000367785119	556138741	/nfs/dbraw/zinc/13/87/41/556138741.db2.gz	VZZGXFJVZXLZGS-DCPHZVHLSA-N	1	1	351.381	2.205	20	30		FEEDMO
N#C[C@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@]12C(=O)Nc1ccccc12	ZINC000367785119	556138743	/nfs/dbraw/zinc/13/87/43/556138743.db2.gz	VZZGXFJVZXLZGS-DCPHZVHLSA-N	1	1	351.381	2.205	20	30		FEEDMO
COC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2	ZINC000367828676	556149225	/nfs/dbraw/zinc/14/92/25/556149225.db2.gz	VPUDBJPFHLPZPK-HNAYVOBHSA-N	1	1	352.394	2.383	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000367851576	556154930	/nfs/dbraw/zinc/15/49/30/556154930.db2.gz	AXODCLSYKJGIQZ-GJZGRUSLSA-N	1	1	370.453	2.049	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1	ZINC000515473099	562011850	/nfs/dbraw/zinc/01/18/50/562011850.db2.gz	VDDBETKVAQUAPC-IBGZPJMESA-N	1	1	357.498	2.438	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1nnc2n1CCCC2	ZINC000515578589	562015904	/nfs/dbraw/zinc/01/59/04/562015904.db2.gz	XHYDYAUFKOSDFY-NVXWUHKLSA-N	1	1	356.470	2.433	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1	ZINC000515608000	562016774	/nfs/dbraw/zinc/01/67/74/562016774.db2.gz	SLMHBGWVUKNYPR-KANFNMMFSA-N	1	1	356.470	2.003	20	30		FEEDMO
C=CCN(C(=O)N[C@@H](C)c1nncn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000368924143	556449976	/nfs/dbraw/zinc/44/99/76/556449976.db2.gz	HWWFTGKTLBSHQQ-WMZOPIPTSA-N	1	1	368.485	2.348	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2nccc(C(F)(F)F)n2)CC1	ZINC000369049156	556488667	/nfs/dbraw/zinc/48/86/67/556488667.db2.gz	KYEYFFIXOKQPIY-LBPRGKRZSA-N	1	1	369.391	2.435	20	30		FEEDMO
CCCCCCCS(=O)(=O)N1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000369105883	556506643	/nfs/dbraw/zinc/50/66/43/556506643.db2.gz	BRWHBDSJFGDXSH-ZWKOTPCHSA-N	1	1	359.580	2.244	20	30		FEEDMO
C=CCN(C(=O)c1cccn(C)c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000369308571	556570553	/nfs/dbraw/zinc/57/05/53/556570553.db2.gz	ULJZKHYWTUCXGL-GOSISDBHSA-N	1	1	351.450	2.288	20	30		FEEDMO
Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369389760	556588158	/nfs/dbraw/zinc/58/81/58/556588158.db2.gz	SFNYMZLDZITYPX-ZDUSSCGKSA-N	1	1	356.405	2.261	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369608680	556646725	/nfs/dbraw/zinc/64/67/25/556646725.db2.gz	HLXJXVXTEIGOSI-LBPRGKRZSA-N	1	1	358.833	2.467	20	30		FEEDMO
CN1C[C@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CCN2C1=O	ZINC000369689697	556669778	/nfs/dbraw/zinc/66/97/78/556669778.db2.gz	BTDOIUJIKHJXJI-SFHVURJKSA-N	1	1	364.453	2.015	20	30		FEEDMO
CN1C[C@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CCN2C1=O	ZINC000369689697	556669782	/nfs/dbraw/zinc/66/97/82/556669782.db2.gz	BTDOIUJIKHJXJI-SFHVURJKSA-N	1	1	364.453	2.015	20	30		FEEDMO
Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c(F)c1	ZINC000369730632	556679403	/nfs/dbraw/zinc/67/94/03/556679403.db2.gz	QQIRTZKRIPEICR-ZDUSSCGKSA-N	1	1	356.405	2.261	20	30		FEEDMO
COCCC[N@H+]1CCCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1	ZINC000369904095	556725696	/nfs/dbraw/zinc/72/56/96/556725696.db2.gz	HMQKEWUYVPLEMT-HNNXBMFYSA-N	1	1	362.474	2.139	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000370550340	556906790	/nfs/dbraw/zinc/90/67/90/556906790.db2.gz	VLCOOAVRCBURSK-IPELMVKDSA-N	1	1	357.454	2.085	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1)C1(C#N)CCCCC1	ZINC000370906323	557010375	/nfs/dbraw/zinc/01/03/75/557010375.db2.gz	VFDIQPAVUMJKQF-QGZVFWFLSA-N	1	1	360.502	2.148	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)C1(C#N)CCCCC1	ZINC000370906323	557010377	/nfs/dbraw/zinc/01/03/77/557010377.db2.gz	VFDIQPAVUMJKQF-QGZVFWFLSA-N	1	1	360.502	2.148	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1	ZINC000371052349	557058918	/nfs/dbraw/zinc/05/89/18/557058918.db2.gz	IAOABCSXRWBCQL-OTWHNJEPSA-N	1	1	356.470	2.188	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000371350070	557156479	/nfs/dbraw/zinc/15/64/79/557156479.db2.gz	PIJTYWLDFCFOPJ-IBGZPJMESA-N	1	1	364.578	2.290	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@H](C3CC3)C2)CC1	ZINC000371474073	557192405	/nfs/dbraw/zinc/19/24/05/557192405.db2.gz	VSZWSIJBMPRSQP-DLBZAZTESA-N	1	1	358.511	2.189	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c(Cl)c1	ZINC000371632617	557246304	/nfs/dbraw/zinc/24/63/04/557246304.db2.gz	IYCMUEUVHRZJCT-SQWLQELKSA-N	1	1	365.886	2.316	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000371635224	557246723	/nfs/dbraw/zinc/24/67/23/557246723.db2.gz	UFUOROLLAGJUSY-SFHVURJKSA-N	1	1	356.470	2.074	20	30		FEEDMO
CC(C)c1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000371724547	557275393	/nfs/dbraw/zinc/27/53/93/557275393.db2.gz	RLBYOZPYLMMHAB-OAHLLOKOSA-N	1	1	359.455	2.299	20	30		FEEDMO
Cc1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)nn1-c1cccc(C#N)c1	ZINC000372373124	557453579	/nfs/dbraw/zinc/45/35/79/557453579.db2.gz	BLXBOIHOKCYKAW-YJBOKZPZSA-N	1	1	364.453	2.753	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1	ZINC000372434791	557470019	/nfs/dbraw/zinc/47/00/19/557470019.db2.gz	FJILUYCZEUTCRP-VQIMIIECSA-N	1	1	357.454	2.191	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)CC(=O)NC1(C#N)CCC1	ZINC000372611009	557520431	/nfs/dbraw/zinc/52/04/31/557520431.db2.gz	ONDULZIAZAEOOF-HKUYNNGSSA-N	1	1	354.498	2.391	20	30		FEEDMO
CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000372625311	557524299	/nfs/dbraw/zinc/52/42/99/557524299.db2.gz	FJZDTJIWYWEZHW-OAHLLOKOSA-N	1	1	369.400	2.086	20	30		FEEDMO
CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000372625310	557524357	/nfs/dbraw/zinc/52/43/57/557524357.db2.gz	FJZDTJIWYWEZHW-HNNXBMFYSA-N	1	1	369.400	2.086	20	30		FEEDMO
C=CC[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCc1ccccc1	ZINC000520130595	562149442	/nfs/dbraw/zinc/14/94/42/562149442.db2.gz	POTOEPHCLKFZJY-UHFFFAOYSA-N	1	1	360.479	2.444	20	30		FEEDMO
Cc1cc(C)c(NC(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c(C)c1	ZINC000373401228	557687313	/nfs/dbraw/zinc/68/73/13/557687313.db2.gz	WEDAULOHVMGURB-UHFFFAOYSA-N	1	1	352.442	2.351	20	30		FEEDMO
Cn1cc[nH+]c1N1CCC(NC(=O)c2cccc(SCC#N)c2)CC1	ZINC000373590115	557724607	/nfs/dbraw/zinc/72/46/07/557724607.db2.gz	ZVOWXLAZJBSHGN-UHFFFAOYSA-N	1	1	355.467	2.435	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@]3(CNC(=O)O3)C1)CCC2	ZINC000373674303	557736737	/nfs/dbraw/zinc/73/67/37/557736737.db2.gz	PCMNNRUROROWBT-SFHVURJKSA-N	1	1	374.466	2.011	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000374280386	557857198	/nfs/dbraw/zinc/85/71/98/557857198.db2.gz	OGCDMUQCCWVYKM-QFIPXVFZSA-N	1	1	353.510	2.360	20	30		FEEDMO
CCOC(=O)CCCNC(=O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1	ZINC000374314705	557863702	/nfs/dbraw/zinc/86/37/02/557863702.db2.gz	XDQPURLJCIIVJA-UHFFFAOYSA-N	1	1	355.438	2.107	20	30		FEEDMO
CCOC(=O)CCCNC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1	ZINC000374314705	557863703	/nfs/dbraw/zinc/86/37/03/557863703.db2.gz	XDQPURLJCIIVJA-UHFFFAOYSA-N	1	1	355.438	2.107	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1	ZINC000374403782	557879731	/nfs/dbraw/zinc/87/97/31/557879731.db2.gz	VSGUJEAWLGSAOE-JKSUJKDBSA-N	1	1	365.437	2.041	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c(F)c1	ZINC000375004040	557962821	/nfs/dbraw/zinc/96/28/21/557962821.db2.gz	XDTFZYKZFYADDP-ZDUSSCGKSA-N	1	1	361.392	2.018	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C[C@H]21	ZINC000375018186	557964803	/nfs/dbraw/zinc/96/48/03/557964803.db2.gz	IULDCJLKDGWDPJ-MAUKXSAKSA-N	1	1	354.454	2.220	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc(C#N)c(Cl)n2)C[C@H](C)O1	ZINC000375085130	557975392	/nfs/dbraw/zinc/97/53/92/557975392.db2.gz	QEHAJCVBLBMVHE-GUTXKFCHSA-N	1	1	362.861	2.320	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc(C#N)c(Cl)n2)C[C@H](C)O1	ZINC000375085130	557975394	/nfs/dbraw/zinc/97/53/94/557975394.db2.gz	QEHAJCVBLBMVHE-GUTXKFCHSA-N	1	1	362.861	2.320	20	30		FEEDMO
C=CCN(CC=C)C(=O)CN(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1	ZINC000375267452	558001480	/nfs/dbraw/zinc/00/14/80/558001480.db2.gz	VNHFZTWDFDCHRC-GHTZIAJQSA-N	1	1	373.545	2.326	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1c[nH+]c2n1CCCC2	ZINC000375303823	558006442	/nfs/dbraw/zinc/00/64/42/558006442.db2.gz	PXFXWUIXPIFQMP-UHFFFAOYSA-N	1	1	354.458	2.195	20	30		FEEDMO
CCCCCNC(=O)C1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000521194932	562171390	/nfs/dbraw/zinc/17/13/90/562171390.db2.gz	BHBAFXUULHYRPM-UHFFFAOYSA-N	1	1	370.497	2.193	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)C1(C#N)CCCCC1	ZINC000375464213	558031629	/nfs/dbraw/zinc/03/16/29/558031629.db2.gz	IDECUQKSCVYTQP-OAHLLOKOSA-N	1	1	357.458	2.421	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)C1(C#N)CCCCC1	ZINC000375464213	558031631	/nfs/dbraw/zinc/03/16/31/558031631.db2.gz	IDECUQKSCVYTQP-OAHLLOKOSA-N	1	1	357.458	2.421	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccnc(COC)n2)C1	ZINC000375759869	558078286	/nfs/dbraw/zinc/07/82/86/558078286.db2.gz	PKNMZIKBYZEHLT-SJORKVTESA-N	1	1	358.486	2.392	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000375965100	558106128	/nfs/dbraw/zinc/10/61/28/558106128.db2.gz	WMINRMCXUVHLJC-MGPUTAFESA-N	1	1	359.445	2.450	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000375965100	558106130	/nfs/dbraw/zinc/10/61/30/558106130.db2.gz	WMINRMCXUVHLJC-MGPUTAFESA-N	1	1	359.445	2.450	20	30		FEEDMO
C=CCN(CC(=O)OCC)C(=O)C1CC[NH+](Cc2csc(C)n2)CC1	ZINC000376068297	558122260	/nfs/dbraw/zinc/12/22/60/558122260.db2.gz	MYBIFLXQYQRERP-UHFFFAOYSA-N	1	1	365.499	2.241	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@H]21	ZINC000376075045	558123362	/nfs/dbraw/zinc/12/33/62/558123362.db2.gz	KYDTYTDXLGFHDJ-OXQOHEQNSA-N	1	1	370.472	2.466	20	30		FEEDMO
C#CCC(CC#C)C(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000376901374	558236310	/nfs/dbraw/zinc/23/63/10/558236310.db2.gz	DFAVYJMTIJAPQZ-RTWAWAEBSA-N	1	1	352.478	2.445	20	30		FEEDMO
C#CCC(CC#C)C(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000376901374	558236312	/nfs/dbraw/zinc/23/63/12/558236312.db2.gz	DFAVYJMTIJAPQZ-RTWAWAEBSA-N	1	1	352.478	2.445	20	30		FEEDMO
CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccnc1C#N	ZINC000376973540	558246613	/nfs/dbraw/zinc/24/66/13/558246613.db2.gz	WKAHRVQSZVMKAY-KRWDZBQOSA-N	1	1	370.478	2.238	20	30		FEEDMO
CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccnc1C#N	ZINC000376973540	558246615	/nfs/dbraw/zinc/24/66/15/558246615.db2.gz	WKAHRVQSZVMKAY-KRWDZBQOSA-N	1	1	370.478	2.238	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](CCCOC)CC1	ZINC000377207494	558288753	/nfs/dbraw/zinc/28/87/53/558288753.db2.gz	KSAAJAPDBDPAQL-HXUWFJFHSA-N	1	1	357.498	2.375	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)cc1	ZINC000377281235	558305244	/nfs/dbraw/zinc/30/52/44/558305244.db2.gz	RYEPZPONSUFTRO-UHFFFAOYSA-N	1	1	365.433	2.452	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)cc1	ZINC000377281235	558305247	/nfs/dbraw/zinc/30/52/47/558305247.db2.gz	RYEPZPONSUFTRO-UHFFFAOYSA-N	1	1	365.433	2.452	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(NC(=O)C2CCC2)CC1	ZINC000377520218	558356253	/nfs/dbraw/zinc/35/62/53/558356253.db2.gz	SFUYOHLCQXKIFY-HNNXBMFYSA-N	1	1	360.502	2.098	20	30		FEEDMO
CCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000522418468	562198183	/nfs/dbraw/zinc/19/81/83/562198183.db2.gz	UHQDETFBBAUWJZ-IRXDYDNUSA-N	1	1	362.518	2.346	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1	ZINC000377672934	558392920	/nfs/dbraw/zinc/39/29/20/558392920.db2.gz	BPCPWUHPRRSMSZ-ZVZYQTTQSA-N	1	1	363.889	2.356	20	30		FEEDMO
C#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3C(=O)NCCOC)C2)cc1	ZINC000377710901	558402857	/nfs/dbraw/zinc/40/28/57/558402857.db2.gz	YHKXVBUIYXOIEY-SFHVURJKSA-N	1	1	366.465	2.147	20	30		FEEDMO
N#CCCCCS(=O)(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000377770845	558416766	/nfs/dbraw/zinc/41/67/66/558416766.db2.gz	QWQQALBUDWGGAF-RBUKOAKNSA-N	1	1	361.511	2.464	20	30		FEEDMO
C[C@]1(CNS(=O)(=O)c2cccnc2C#N)CCC[N@H+]1Cc1ccccc1	ZINC000398114422	558626192	/nfs/dbraw/zinc/62/61/92/558626192.db2.gz	TYOWRQPIMNOTTM-LJQANCHMSA-N	1	1	370.478	2.286	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000409491763	558697413	/nfs/dbraw/zinc/69/74/13/558697413.db2.gz	RIGNKTLSDNVGCX-DLBZAZTESA-N	1	1	364.515	2.062	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000409491763	558697415	/nfs/dbraw/zinc/69/74/15/558697415.db2.gz	RIGNKTLSDNVGCX-DLBZAZTESA-N	1	1	364.515	2.062	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1	ZINC000409496128	558697735	/nfs/dbraw/zinc/69/77/35/558697735.db2.gz	SOTKVIIDLBQQSA-AWEZNQCLSA-N	1	1	361.471	2.312	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000410126574	558740329	/nfs/dbraw/zinc/74/03/29/558740329.db2.gz	BINHXXLIFIIGFA-QGZVFWFLSA-N	1	1	364.515	2.063	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000410131576	558740728	/nfs/dbraw/zinc/74/07/28/558740728.db2.gz	SDPIQAQYLNRORX-GDBMZVCRSA-N	1	1	370.544	2.201	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000410685796	558798535	/nfs/dbraw/zinc/79/85/35/558798535.db2.gz	DYEMVUAJUJRDTP-WOJBJXKFSA-N	1	1	369.509	2.392	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000410838629	558815563	/nfs/dbraw/zinc/81/55/63/558815563.db2.gz	BKSJIXYSVINIHZ-RTBURBONSA-N	1	1	355.482	2.001	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1	ZINC000410900376	558821023	/nfs/dbraw/zinc/82/10/23/558821023.db2.gz	QMMUHAILIPXDQP-IAGOWNOFSA-N	1	1	362.518	2.108	20	30		FEEDMO
N#Cc1ccc(NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000525493407	562249232	/nfs/dbraw/zinc/24/92/32/562249232.db2.gz	ZLASSHIACXYNJU-HXUWFJFHSA-N	1	1	350.422	2.317	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccn(-c2ccccc2F)n1	ZINC000526082854	562266414	/nfs/dbraw/zinc/26/64/14/562266414.db2.gz	ZRDBSGVLCWDZFC-UHFFFAOYSA-N	1	1	353.405	2.253	20	30		FEEDMO
N#Cc1cccnc1OC1CCC(NC(=O)N2CC[NH+](C3CC3)CC2)CC1	ZINC000526111226	562267248	/nfs/dbraw/zinc/26/72/48/562267248.db2.gz	AGCOPLYUFSAYQN-UHFFFAOYSA-N	1	1	369.469	2.133	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(NC(=O)CC2CCCC2)CC1	ZINC000527049072	562274519	/nfs/dbraw/zinc/27/45/19/562274519.db2.gz	ICHWVFZCRZWVLC-HNNXBMFYSA-N	1	1	360.502	2.098	20	30		FEEDMO
COc1ccc(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1OCCCC#N	ZINC000418123737	559391021	/nfs/dbraw/zinc/39/10/21/559391021.db2.gz	YPNUTKONAKRMAN-DLBZAZTESA-N	1	1	361.486	2.265	20	30		FEEDMO
C[N@@H+](CCN1CCN(C(=O)NCC2(C#N)CCC2)CC1)Cc1ccccc1	ZINC000419622251	559450350	/nfs/dbraw/zinc/45/03/50/559450350.db2.gz	GLOARGPZAIWGOB-UHFFFAOYSA-N	1	1	369.513	2.139	20	30		FEEDMO
CNC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000420969895	559515600	/nfs/dbraw/zinc/51/56/00/559515600.db2.gz	FOVVBGBLWDEMRP-DLBZAZTESA-N	1	1	356.470	2.007	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1	ZINC000421021491	559520146	/nfs/dbraw/zinc/52/01/46/559520146.db2.gz	OGBJTMIWRCEQAN-ZRGWGRIASA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1	ZINC000421021491	559520147	/nfs/dbraw/zinc/52/01/47/559520147.db2.gz	OGBJTMIWRCEQAN-ZRGWGRIASA-N	1	1	351.491	2.341	20	30		FEEDMO
C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1ccnn1C	ZINC000421740878	559551426	/nfs/dbraw/zinc/55/14/26/559551426.db2.gz	MMJRBUWEFJVHMU-INIZCTEOSA-N	1	1	351.454	2.130	20	30		FEEDMO
CCN1CCC([N@@H+]2CCCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1	ZINC000422025914	559561377	/nfs/dbraw/zinc/56/13/77/559561377.db2.gz	SVEJNICVVPCOSK-UHFFFAOYSA-N	1	1	354.498	2.385	20	30		FEEDMO
CCN1CCC([N@H+]2CCCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1	ZINC000422025914	559561378	/nfs/dbraw/zinc/56/13/78/559561378.db2.gz	SVEJNICVVPCOSK-UHFFFAOYSA-N	1	1	354.498	2.385	20	30		FEEDMO
C[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000422432654	559587949	/nfs/dbraw/zinc/58/79/49/559587949.db2.gz	XMHKEXRLVPDTLO-WMZOPIPTSA-N	1	1	370.497	2.069	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422478799	559590864	/nfs/dbraw/zinc/59/08/64/559590864.db2.gz	IQEHOUVGTOXUSC-SJORKVTESA-N	1	1	362.518	2.155	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1	ZINC000422540334	559593758	/nfs/dbraw/zinc/59/37/58/559593758.db2.gz	JYXDMEGAGDFGRJ-RBUKOAKNSA-N	1	1	357.498	2.231	20	30		FEEDMO
N#C[C@H]1CC[C@@H](NC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1	ZINC000425839650	559722248	/nfs/dbraw/zinc/72/22/48/559722248.db2.gz	GDBKPSGYSSUOLL-RBUKOAKNSA-N	1	1	371.485	2.008	20	30		FEEDMO
Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000428779722	559783114	/nfs/dbraw/zinc/78/31/14/559783114.db2.gz	CZXNRRVNRRKMHB-RTBURBONSA-N	1	1	367.449	2.463	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nc1	ZINC000428786462	559783291	/nfs/dbraw/zinc/78/32/91/559783291.db2.gz	NMEOTAVLAFPYEF-KRWDZBQOSA-N	1	1	354.366	2.394	20	30		FEEDMO
COc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3ccc(C#N)cn3)C1)OCO2	ZINC000430187337	559815145	/nfs/dbraw/zinc/81/51/45/559815145.db2.gz	OUPMMSZYNSAKPP-OAHLLOKOSA-N	1	1	353.378	2.344	20	30		FEEDMO
COc1cc2c(cc1C[N@H+]1CC[C@@H](Oc3ccc(C#N)cn3)C1)OCO2	ZINC000430187337	559815146	/nfs/dbraw/zinc/81/51/46/559815146.db2.gz	OUPMMSZYNSAKPP-OAHLLOKOSA-N	1	1	353.378	2.344	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000431862413	559847571	/nfs/dbraw/zinc/84/75/71/559847571.db2.gz	AHYANXHGFKMTNW-GOSISDBHSA-N	1	1	362.433	2.196	20	30		FEEDMO
Cc1cn2ccnc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2n1	ZINC000432182837	559853631	/nfs/dbraw/zinc/85/36/31/559853631.db2.gz	ROUUNRRPNPPFML-UHFFFAOYSA-N	1	1	374.448	2.326	20	30		FEEDMO
CN(CC(C)(C)C#N)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000432757073	559864112	/nfs/dbraw/zinc/86/41/12/559864112.db2.gz	IHRRVPGZTBOSOQ-INIZCTEOSA-N	1	1	357.458	2.150	20	30		FEEDMO
CN(CC(C)(C)C#N)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000432757073	559864113	/nfs/dbraw/zinc/86/41/13/559864113.db2.gz	IHRRVPGZTBOSOQ-INIZCTEOSA-N	1	1	357.458	2.150	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)[N@@H+](C)C1CC1	ZINC000433091378	559871487	/nfs/dbraw/zinc/87/14/87/559871487.db2.gz	KXMCHKSRTLOSEH-JTQLQIEISA-N	1	1	372.288	2.082	20	30		FEEDMO
N#CCCn1cc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(-c2ccncc2)n1	ZINC000433335264	559877195	/nfs/dbraw/zinc/87/71/95/559877195.db2.gz	KYUCSOVTQMUOBQ-INIZCTEOSA-N	1	1	350.470	2.433	20	30		FEEDMO
N#CCCn1cc(CNC[C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccncc2)n1	ZINC000433335264	559877196	/nfs/dbraw/zinc/87/71/96/559877196.db2.gz	KYUCSOVTQMUOBQ-INIZCTEOSA-N	1	1	350.470	2.433	20	30		FEEDMO
C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC[N@@H+]1C	ZINC000433873210	559889327	/nfs/dbraw/zinc/88/93/27/559889327.db2.gz	CSAGOEQKWFLVNP-YGRLFVJLSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC[N@H+]1C	ZINC000433873210	559889328	/nfs/dbraw/zinc/88/93/28/559889328.db2.gz	CSAGOEQKWFLVNP-YGRLFVJLSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[N@@H+](CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCCCC1	ZINC000434579167	559902827	/nfs/dbraw/zinc/90/28/27/559902827.db2.gz	XMEMBHUYXFYVNG-UHFFFAOYSA-N	1	1	373.501	2.434	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(CNc3c(C#N)cccc3C#N)cc2)CC1	ZINC000436321205	559939841	/nfs/dbraw/zinc/93/98/41/559939841.db2.gz	YHUZEMZAKXYMTM-UHFFFAOYSA-N	1	1	359.433	2.430	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C	ZINC000437735056	559968679	/nfs/dbraw/zinc/96/86/79/559968679.db2.gz	JGHIODUNYDBQSP-MKXGPGLRSA-N	1	1	367.534	2.404	20	30		FEEDMO
C[NH+](C)Cc1cc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)no1	ZINC000438621652	559981607	/nfs/dbraw/zinc/98/16/07/559981607.db2.gz	PVXKMKXCOAUWBU-UHFFFAOYSA-N	1	1	369.425	2.123	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCO)[C@@H]1CCCSC1	ZINC000439012453	559987154	/nfs/dbraw/zinc/98/71/54/559987154.db2.gz	UHJHOOHZSXLQAM-CQSZACIVSA-N	1	1	353.875	2.340	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCO)[C@@H]1CCCSC1	ZINC000439012453	559987155	/nfs/dbraw/zinc/98/71/55/559987155.db2.gz	UHJHOOHZSXLQAM-CQSZACIVSA-N	1	1	353.875	2.340	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C	ZINC000439361558	559992925	/nfs/dbraw/zinc/99/29/25/559992925.db2.gz	RVWONKDABQQCSY-HUUCEWRRSA-N	1	1	374.510	2.429	20	30		FEEDMO
CN(C)c1nc(N2CCN(Cc3ccc(C#N)cc3Cl)CC2)cc[nH+]1	ZINC000439433103	559993784	/nfs/dbraw/zinc/99/37/84/559993784.db2.gz	AFKFOIHXAMIEOJ-UHFFFAOYSA-N	1	1	356.861	2.390	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C2	ZINC000439485484	559995621	/nfs/dbraw/zinc/99/56/21/559995621.db2.gz	IGMNEWGURKLBDY-RYGJVYDSSA-N	1	1	361.486	2.239	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CCCO)c1C#N	ZINC000440968493	560020476	/nfs/dbraw/zinc/02/04/76/560020476.db2.gz	VZVNHEWPJWPBEA-UHFFFAOYSA-N	1	1	358.442	2.261	20	30		FEEDMO
C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000443321229	560079570	/nfs/dbraw/zinc/07/95/70/560079570.db2.gz	PTRHTBYUYLFNAX-RKVPGOIHSA-N	1	1	367.453	2.164	20	30		FEEDMO
C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000443321229	560079572	/nfs/dbraw/zinc/07/95/72/560079572.db2.gz	PTRHTBYUYLFNAX-RKVPGOIHSA-N	1	1	367.453	2.164	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1	ZINC000443368518	560082084	/nfs/dbraw/zinc/08/20/84/560082084.db2.gz	JMSWYZXUEGSDBK-GOEBONIOSA-N	1	1	372.469	2.227	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)c1ccc(C#N)c(C)c1)CCC(F)(F)F	ZINC000443890173	560095298	/nfs/dbraw/zinc/09/52/98/560095298.db2.gz	USBQRXUGBAYWKG-UHFFFAOYSA-N	1	1	363.405	2.419	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1ccc(C#N)c(C)c1)CCC(F)(F)F	ZINC000443890173	560095299	/nfs/dbraw/zinc/09/52/99/560095299.db2.gz	USBQRXUGBAYWKG-UHFFFAOYSA-N	1	1	363.405	2.419	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](OCCOC)C1	ZINC000444749823	560119660	/nfs/dbraw/zinc/11/96/60/560119660.db2.gz	VSPPXTSBWYYESP-HOTGVXAUSA-N	1	1	352.500	2.389	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000448737683	560197357	/nfs/dbraw/zinc/19/73/57/560197357.db2.gz	PDYXYDKRMDLRBO-RTWAWAEBSA-N	1	1	371.525	2.292	20	30		FEEDMO
N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000449803959	560240599	/nfs/dbraw/zinc/24/05/99/560240599.db2.gz	LHAWNEDZTMAVMD-LLVKDONJSA-N	1	1	364.243	2.052	20	30		FEEDMO
C=CCOc1ccc(CC(=O)N2C[C@@H](CC)[C@H]([NH+]3CCOCC3)C2)cc1	ZINC000449983983	560247212	/nfs/dbraw/zinc/24/72/12/560247212.db2.gz	FGPQURBVUWWIHF-UYAOXDASSA-N	1	1	358.482	2.363	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000451163744	560290693	/nfs/dbraw/zinc/29/06/93/560290693.db2.gz	AMGCLGBQOMCHRO-HNNXBMFYSA-N	1	1	374.485	2.165	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000451163744	560290694	/nfs/dbraw/zinc/29/06/94/560290694.db2.gz	AMGCLGBQOMCHRO-HNNXBMFYSA-N	1	1	374.485	2.165	20	30		FEEDMO
C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451238809	560295107	/nfs/dbraw/zinc/29/51/07/560295107.db2.gz	DXPDJKIYTBXUEY-WFASDCNBSA-N	1	1	355.891	2.367	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)[C@H]2C1	ZINC000451382678	560303704	/nfs/dbraw/zinc/30/37/04/560303704.db2.gz	ITABEZXUSLFEGR-ZFWWWQNUSA-N	1	1	353.875	2.121	20	30		FEEDMO
CC(C)[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@@H+]1C	ZINC000451460392	560308382	/nfs/dbraw/zinc/30/83/82/560308382.db2.gz	RKWRWBJRWHONJM-OAHLLOKOSA-N	1	1	355.891	2.367	20	30		FEEDMO
CC(C)[C@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@H+]1C	ZINC000451460392	560308383	/nfs/dbraw/zinc/30/83/83/560308383.db2.gz	RKWRWBJRWHONJM-OAHLLOKOSA-N	1	1	355.891	2.367	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)C2)C1	ZINC000451575884	560315807	/nfs/dbraw/zinc/31/58/07/560315807.db2.gz	UFJNOMBLYWPSFN-INIZCTEOSA-N	1	1	353.875	2.122	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1ccccc1	ZINC000451999255	560344169	/nfs/dbraw/zinc/34/41/69/560344169.db2.gz	CJWKGXYMLAITAV-RBUKOAKNSA-N	1	1	363.417	2.385	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@H]1c1ccccc1	ZINC000451999255	560344170	/nfs/dbraw/zinc/34/41/70/560344170.db2.gz	CJWKGXYMLAITAV-RBUKOAKNSA-N	1	1	363.417	2.385	20	30		FEEDMO
C=CCn1c(N2CC[NH+](CCOC(C)C)CC2)nnc1[C@@]1(C)CCCO1	ZINC000453447997	560386769	/nfs/dbraw/zinc/38/67/69/560386769.db2.gz	XRQYAQLTOQPFSX-LJQANCHMSA-N	1	1	363.506	2.037	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1	ZINC000453472079	560387655	/nfs/dbraw/zinc/38/76/55/560387655.db2.gz	VTJUPCWBKAQJCL-ULQDDVLXSA-N	1	1	363.506	2.251	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453601643	560390507	/nfs/dbraw/zinc/39/05/07/560390507.db2.gz	UNLJCQPIGLJSTJ-UHFFFAOYSA-N	1	1	359.817	2.056	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CC[N@H+]1C	ZINC000453770256	560403032	/nfs/dbraw/zinc/40/30/32/560403032.db2.gz	SRHDAQCJRDSTAA-NEPJUHHUSA-N	1	1	362.499	2.407	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CC[N@@H+]1C	ZINC000453770256	560403033	/nfs/dbraw/zinc/40/30/33/560403033.db2.gz	SRHDAQCJRDSTAA-NEPJUHHUSA-N	1	1	362.499	2.407	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2	ZINC000454048758	560424853	/nfs/dbraw/zinc/42/48/53/560424853.db2.gz	BHKRJFHOGJTCOL-DOTOQJQBSA-N	1	1	373.497	2.429	20	30		FEEDMO
CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000454566841	560449723	/nfs/dbraw/zinc/44/97/23/560449723.db2.gz	PPDCWLVXEBWNSN-INIZCTEOSA-N	1	1	357.502	2.335	20	30		FEEDMO
C=CC[C@H](CC)NC(=O)N1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1	ZINC000454912644	560463220	/nfs/dbraw/zinc/46/32/20/560463220.db2.gz	NCFJYKVQMDKIEA-MOPGFXCFSA-N	1	1	364.534	2.317	20	30		FEEDMO
C=C(CC)CNC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000455514944	560485267	/nfs/dbraw/zinc/48/52/67/560485267.db2.gz	ASRWECTUOLMKBW-CALCHBBNSA-N	1	1	353.507	2.252	20	30		FEEDMO
C=C(CC)CNC(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000455514944	560485268	/nfs/dbraw/zinc/48/52/68/560485268.db2.gz	ASRWECTUOLMKBW-CALCHBBNSA-N	1	1	353.507	2.252	20	30		FEEDMO
CC1(C)CCC[N@H+]1CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000457056429	560546110	/nfs/dbraw/zinc/54/61/10/560546110.db2.gz	NWDUDRFTAZTODD-SFHVURJKSA-N	1	1	368.481	2.040	20	30		FEEDMO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@H+]1CCCC1(C)C	ZINC000457081446	560547644	/nfs/dbraw/zinc/54/76/44/560547644.db2.gz	VQBRNQYRBNUULI-UHFFFAOYSA-N	1	1	368.485	2.141	20	30		FEEDMO
C=CC[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCOCC1)c1ccccc1	ZINC000457985345	560597987	/nfs/dbraw/zinc/59/79/87/560597987.db2.gz	TXJWRWBVKIICQJ-LJQANCHMSA-N	1	1	358.482	2.344	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000458708120	560642385	/nfs/dbraw/zinc/64/23/85/560642385.db2.gz	GMKDSZNEVCGKGH-ROUUACIJSA-N	1	1	363.527	2.230	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000458708120	560642386	/nfs/dbraw/zinc/64/23/86/560642386.db2.gz	GMKDSZNEVCGKGH-ROUUACIJSA-N	1	1	363.527	2.230	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1	ZINC000459006920	560661540	/nfs/dbraw/zinc/66/15/40/560661540.db2.gz	JFCGQOYWKONRRN-FRYIKTPZSA-N	1	1	370.497	2.251	20	30		FEEDMO
N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCCOc1ccc(C(F)(F)F)cc1	ZINC000459469957	560688206	/nfs/dbraw/zinc/68/82/06/560688206.db2.gz	SVRCLDHEAHDNLC-WFASDCNBSA-N	1	1	355.360	2.482	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[NH+](CC(C)C)CC1	ZINC000459977320	560725634	/nfs/dbraw/zinc/72/56/34/560725634.db2.gz	RTTSXKNGHBAKKO-UHFFFAOYSA-N	1	1	370.497	2.097	20	30		FEEDMO
C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1	ZINC000460768345	560751414	/nfs/dbraw/zinc/75/14/14/560751414.db2.gz	KYNSOEZIIMOWRQ-WBVHZDCISA-N	1	1	363.506	2.251	20	30		FEEDMO
CCC(CC)[C@@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)[NH+]1CCOCC1	ZINC000461731516	560780737	/nfs/dbraw/zinc/78/07/37/560780737.db2.gz	VSWOEKRZCFIMFM-FQEVSTJZSA-N	1	1	371.481	2.285	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1C	ZINC000462087805	560796281	/nfs/dbraw/zinc/79/62/81/560796281.db2.gz	FBNSTINESUNMSL-RHSMWYFYSA-N	1	1	367.457	2.475	20	30		FEEDMO
COc1cc(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1C#N	ZINC000462469327	560811236	/nfs/dbraw/zinc/81/12/36/560811236.db2.gz	ARMHOCQDDGUINW-KRWDZBQOSA-N	1	1	356.470	2.440	20	30		FEEDMO
C=CCC[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1	ZINC000467295181	560907905	/nfs/dbraw/zinc/90/79/05/560907905.db2.gz	JXJFSPTXUALMJP-UHFFFAOYSA-N	1	1	353.488	2.164	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNC(=O)CSCc2ccc(C#N)cc2)CCCO1	ZINC000470062124	560973181	/nfs/dbraw/zinc/97/31/81/560973181.db2.gz	MPZZYTLPWZQYQO-MRXNPFEDSA-N	1	1	361.511	2.409	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[NH+]2CCC(Oc3ccccn3)CC2)c1	ZINC000471146821	560999124	/nfs/dbraw/zinc/99/91/24/560999124.db2.gz	GTANTRXYQSXZND-UHFFFAOYSA-N	1	1	350.422	2.113	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000473835902	561058685	/nfs/dbraw/zinc/05/86/85/561058685.db2.gz	JTOWEJRXAHLFDS-NRFANRHFSA-N	1	1	359.514	2.496	20	30		FEEDMO
C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cnn(C)c3C#N)cc2)C1	ZINC000474909126	561085321	/nfs/dbraw/zinc/08/53/21/561085321.db2.gz	XQZUJSQPLRGUJP-HNNXBMFYSA-N	1	1	351.454	2.454	20	30		FEEDMO
CCn1cc(C[N@H+](CCO)Cc2cn(C)nc2-c2ccc(C#N)cc2)cn1	ZINC000475499962	561098705	/nfs/dbraw/zinc/09/87/05/561098705.db2.gz	CBUJMIQOYQRWMN-UHFFFAOYSA-N	1	1	364.453	2.170	20	30		FEEDMO
CCn1cc(C[N@@H+](CCO)Cc2cn(C)nc2-c2ccc(C#N)cc2)cn1	ZINC000475499962	561098706	/nfs/dbraw/zinc/09/87/06/561098706.db2.gz	CBUJMIQOYQRWMN-UHFFFAOYSA-N	1	1	364.453	2.170	20	30		FEEDMO
COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1	ZINC000475745624	561104352	/nfs/dbraw/zinc/10/43/52/561104352.db2.gz	FXENDPVDGRQNQT-FQEVSTJZSA-N	1	1	351.450	2.364	20	30		FEEDMO
COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1	ZINC000475745624	561104353	/nfs/dbraw/zinc/10/43/53/561104353.db2.gz	FXENDPVDGRQNQT-FQEVSTJZSA-N	1	1	351.450	2.364	20	30		FEEDMO
C[N@H+]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C2(CCCCC2)C1	ZINC000528399171	562326935	/nfs/dbraw/zinc/32/69/35/562326935.db2.gz	RMHWPWHSIKSGOZ-UHFFFAOYSA-N	1	1	365.477	2.236	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1	ZINC000528435093	562329158	/nfs/dbraw/zinc/32/91/58/562329158.db2.gz	ZADFPKRWTTWPEF-DLBZAZTESA-N	1	1	367.453	2.173	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1	ZINC000528435093	562329160	/nfs/dbraw/zinc/32/91/60/562329160.db2.gz	ZADFPKRWTTWPEF-DLBZAZTESA-N	1	1	367.453	2.173	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1	ZINC000528504144	562332851	/nfs/dbraw/zinc/33/28/51/562332851.db2.gz	BPYHFAONGNIAMU-RBUKOAKNSA-N	1	1	364.445	2.320	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1	ZINC000528504144	562332852	/nfs/dbraw/zinc/33/28/52/562332852.db2.gz	BPYHFAONGNIAMU-RBUKOAKNSA-N	1	1	364.445	2.320	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](c2ccccn2)C2CCC2)nc1	ZINC000528660241	562340721	/nfs/dbraw/zinc/34/07/21/562340721.db2.gz	QONVNVYOHCTAQE-SFHVURJKSA-N	1	1	356.451	2.253	20	30		FEEDMO
COCc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1C#N	ZINC000529212075	562365020	/nfs/dbraw/zinc/36/50/20/562365020.db2.gz	MXDDYIHGNFSACV-OALUTQOASA-N	1	1	372.469	2.470	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2cc(C)c(C#N)cn2)cc1	ZINC000529836585	562387798	/nfs/dbraw/zinc/38/77/98/562387798.db2.gz	QORUVJKEXPXTRA-KRWDZBQOSA-N	1	1	350.422	2.275	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2cc(C)c(C#N)cn2)cc1	ZINC000529836585	562387799	/nfs/dbraw/zinc/38/77/99/562387799.db2.gz	QORUVJKEXPXTRA-KRWDZBQOSA-N	1	1	350.422	2.275	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)c1C#N	ZINC000530519881	562414336	/nfs/dbraw/zinc/41/43/36/562414336.db2.gz	YLCNVRBKYRHZMF-SUMWQHHRSA-N	1	1	352.438	2.359	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)c1C#N	ZINC000530519881	562414337	/nfs/dbraw/zinc/41/43/37/562414337.db2.gz	YLCNVRBKYRHZMF-SUMWQHHRSA-N	1	1	352.438	2.359	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)c1C#N	ZINC000530519879	562414378	/nfs/dbraw/zinc/41/43/78/562414378.db2.gz	YLCNVRBKYRHZMF-DYVFJYSZSA-N	1	1	352.438	2.359	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)c1C#N	ZINC000530519879	562414379	/nfs/dbraw/zinc/41/43/79/562414379.db2.gz	YLCNVRBKYRHZMF-DYVFJYSZSA-N	1	1	352.438	2.359	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+](CC(C)(C)O)C1CCOCC1	ZINC000531415927	562445061	/nfs/dbraw/zinc/44/50/61/562445061.db2.gz	FODQWXXDNCUYHA-LJQANCHMSA-N	1	1	363.498	2.407	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1	ZINC000532580968	562482118	/nfs/dbraw/zinc/48/21/18/562482118.db2.gz	IVKPNYULWPKKSH-IEBWSBKVSA-N	1	1	368.481	2.409	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1	ZINC000532580968	562482119	/nfs/dbraw/zinc/48/21/19/562482119.db2.gz	IVKPNYULWPKKSH-IEBWSBKVSA-N	1	1	368.481	2.409	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC2(CNC(=O)C2)CC1	ZINC000532589714	562482519	/nfs/dbraw/zinc/48/25/19/562482519.db2.gz	CVHJCOFPTPJENI-LBPRGKRZSA-N	1	1	372.494	2.038	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1C#N	ZINC000532938208	562493018	/nfs/dbraw/zinc/49/30/18/562493018.db2.gz	PWHFXSWKVVIMKJ-OAHLLOKOSA-N	1	1	372.469	2.130	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([C@H](C)O)C2)cc1	ZINC000534109161	562525462	/nfs/dbraw/zinc/52/54/62/562525462.db2.gz	COZGXDNSUWZYNQ-IRXDYDNUSA-N	1	1	359.470	2.425	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]([C@H](C)O)C2)cc1	ZINC000534109161	562525463	/nfs/dbraw/zinc/52/54/63/562525463.db2.gz	COZGXDNSUWZYNQ-IRXDYDNUSA-N	1	1	359.470	2.425	20	30		FEEDMO
C=CCCOCCNC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000534579946	562537210	/nfs/dbraw/zinc/53/72/10/562537210.db2.gz	HYDKCYLZMVBZLI-UHFFFAOYSA-N	1	1	360.502	2.043	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2C#N)C[C@H](C)O1	ZINC000535156357	562552226	/nfs/dbraw/zinc/55/22/26/562552226.db2.gz	WCIBCZIQKSFCDO-TYNCELHUSA-N	1	1	369.259	2.170	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Br)cc2C#N)C[C@H](C)O1	ZINC000535156357	562552227	/nfs/dbraw/zinc/55/22/27/562552227.db2.gz	WCIBCZIQKSFCDO-TYNCELHUSA-N	1	1	369.259	2.170	20	30		FEEDMO
COC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1	ZINC000537175129	562587190	/nfs/dbraw/zinc/58/71/90/562587190.db2.gz	TZJWVEJVUPKGLK-GOSISDBHSA-N	1	1	362.426	2.448	20	30		FEEDMO
COc1cc(C#N)ccc1NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000546001932	562632452	/nfs/dbraw/zinc/63/24/52/562632452.db2.gz	NVXMWATZXTXEMW-NVXWUHKLSA-N	1	1	358.442	2.332	20	30		FEEDMO
N#CCc1ccc(CS(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)cc1	ZINC000563137983	568272065	/nfs/dbraw/zinc/27/20/65/568272065.db2.gz	DJIGGSCXWJNXGY-IBGZPJMESA-N	1	1	373.453	2.368	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000570266314	568458644	/nfs/dbraw/zinc/45/86/44/568458644.db2.gz	RUKZEBRYKKWFIV-HNNXBMFYSA-N	1	1	370.478	2.151	20	30		FEEDMO
COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000556394349	674400558	/nfs/dbraw/zinc/40/05/58/674400558.db2.gz	WKZXPBSPIHLSGK-GOSISDBHSA-N	1	1	359.451	2.148	20	30		FEEDMO
CCN(CC)c1ncc(C=[NH+]NCc2ccc(-c3nn[nH]n3)cc2)s1	ZINC000821197008	607253866	/nfs/dbraw/zinc/25/38/66/607253866.db2.gz	DPSUXEJSDLLLHB-UHFFFAOYSA-N	1	1	356.459	2.293	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1	ZINC000809688705	674505125	/nfs/dbraw/zinc/50/51/25/674505125.db2.gz	OBQFEYJNOJAHNU-WBVHZDCISA-N	1	1	365.499	2.081	20	30		FEEDMO
C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H](O)c1ccc(C#N)cc1	ZINC000819745407	606888445	/nfs/dbraw/zinc/88/84/45/606888445.db2.gz	BJNAZPCTWHOSNZ-LJQANCHMSA-N	1	1	360.421	2.460	20	30		FEEDMO
C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CC(C(=O)OC)=C(C)O1	ZINC000823914652	608003493	/nfs/dbraw/zinc/00/34/93/608003493.db2.gz	KRHXYCBURSDAIT-MRXNPFEDSA-N	1	1	369.425	2.091	20	30		FEEDMO
C[C@@H]1C(N=Nc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1	ZINC000811628840	674617320	/nfs/dbraw/zinc/61/73/20/674617320.db2.gz	NOSXHWSBUMXUHI-CQSZACIVSA-N	1	1	358.467	2.396	20	30		FEEDMO
Cc1cc(C=NNC[C@@H]2CCSC2)c(C)n1CC[NH+]1CCOCC1	ZINC000811661477	674619172	/nfs/dbraw/zinc/61/91/72/674619172.db2.gz	LSWRGOSSHWQOCL-KRWDZBQOSA-N	1	1	350.532	2.114	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1	ZINC000811890654	674636097	/nfs/dbraw/zinc/63/60/97/674636097.db2.gz	XFJFLBXKHGAHOJ-YJBOKZPZSA-N	1	1	362.905	2.197	20	30		FEEDMO
C#C[C@@H](NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1	ZINC000811890652	674636338	/nfs/dbraw/zinc/63/63/38/674636338.db2.gz	XFJFLBXKHGAHOJ-MAUKXSAKSA-N	1	1	362.905	2.197	20	30		FEEDMO
C#C[C@H](NC(=O)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1F	ZINC000811989959	674645145	/nfs/dbraw/zinc/64/51/45/674645145.db2.gz	PZLSVEXNWHBKHJ-INIZCTEOSA-N	1	1	353.825	2.175	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cc(Br)cc(N(C)C)c2)CC1	ZINC000815186777	674927364	/nfs/dbraw/zinc/92/73/64/674927364.db2.gz	XTFACADFIJQKID-UHFFFAOYSA-N	1	1	364.287	2.296	20	30		FEEDMO
CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2C1	ZINC001048872885	675017723	/nfs/dbraw/zinc/01/77/23/675017723.db2.gz	MZEFEFPTAFFEAU-BSXFFOKHSA-N	1	1	359.495	2.325	20	30		FEEDMO
C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3CC)C[C@H]2C1	ZINC001048947836	675019586	/nfs/dbraw/zinc/01/95/86/675019586.db2.gz	NHCBBNUMFOQNBT-BARDWOONSA-N	1	1	357.292	2.100	20	30		FEEDMO
C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3CC)C[C@H]2C1	ZINC001048947836	675019590	/nfs/dbraw/zinc/01/95/90/675019590.db2.gz	NHCBBNUMFOQNBT-BARDWOONSA-N	1	1	357.292	2.100	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cncs3)C[C@@H]2C1	ZINC001049104274	675023241	/nfs/dbraw/zinc/02/32/41/675023241.db2.gz	JTPVMBRKQDKGBI-MVJTYMMSSA-N	1	1	361.511	2.405	20	30		FEEDMO
C[C@H](O[NH+]=C(N)C1CCOCC1)C(=O)Nc1ccc(Br)cc1	ZINC000112087643	670865822	/nfs/dbraw/zinc/86/58/22/670865822.db2.gz	VFMSOTRZVWJYCA-JTQLQIEISA-N	1	1	370.247	2.492	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000577335911	671588361	/nfs/dbraw/zinc/58/83/61/671588361.db2.gz	ZGKFAFHAHHCGDM-APWZRJJASA-N	1	1	365.543	2.382	20	30		FEEDMO
COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2scc(C)c2C#N)CC1	ZINC000578664760	671681185	/nfs/dbraw/zinc/68/11/85/671681185.db2.gz	XJBABTUEFNRIKU-GFCCVEGCSA-N	1	1	350.444	2.029	20	30		FEEDMO
CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2scc(C)c2C#N)CC1	ZINC000579138193	671714943	/nfs/dbraw/zinc/71/49/43/671714943.db2.gz	NYHSXKTVPJWVGS-UHFFFAOYSA-N	1	1	363.487	2.040	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000120162348	671918794	/nfs/dbraw/zinc/91/87/94/671918794.db2.gz	GFXJOEDXXQNAFX-SFHVURJKSA-N	1	1	365.495	2.114	20	30		FEEDMO
C#CCCOc1ccc(C[N@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000120162348	671918798	/nfs/dbraw/zinc/91/87/98/671918798.db2.gz	GFXJOEDXXQNAFX-SFHVURJKSA-N	1	1	365.495	2.114	20	30		FEEDMO
C[NH+](C)Cc1ccc(CNCCS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000582640930	672020373	/nfs/dbraw/zinc/02/03/73/672020373.db2.gz	MHAWMRWJTMMFBV-UHFFFAOYSA-N	1	1	357.479	2.183	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CC1	ZINC000127326533	672035403	/nfs/dbraw/zinc/03/54/03/672035403.db2.gz	FTOUMIBTLQDEKR-CQSZACIVSA-N	1	1	351.397	2.256	20	30		FEEDMO
Cc1ncsc1-c1nc(CON=C(N)C[N@H+]2CCCC[C@@H]2C)no1	ZINC000131508848	672089032	/nfs/dbraw/zinc/08/90/32/672089032.db2.gz	MTAGEINGEXSVBY-JTQLQIEISA-N	1	1	350.448	2.165	20	30		FEEDMO
Cc1ncsc1-c1nc(CON=C(N)C[N@@H+]2CCCC[C@@H]2C)no1	ZINC000131508848	672089037	/nfs/dbraw/zinc/08/90/37/672089037.db2.gz	MTAGEINGEXSVBY-JTQLQIEISA-N	1	1	350.448	2.165	20	30		FEEDMO
CSC1(C[NH+]2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1	ZINC000583596262	672109983	/nfs/dbraw/zinc/10/99/83/672109983.db2.gz	DCFRBIJCXBJMBS-UHFFFAOYSA-N	1	1	365.524	2.150	20	30		FEEDMO
COc1cc(C[N@H+](CC(=O)NCCC#N)C2CC2)ccc1OC(F)F	ZINC000139473504	672146313	/nfs/dbraw/zinc/14/63/13/672146313.db2.gz	ZIOVFOSLCKRXGG-UHFFFAOYSA-N	1	1	353.369	2.291	20	30		FEEDMO
COc1cc(C[N@@H+](CC(=O)NCCC#N)C2CC2)ccc1OC(F)F	ZINC000139473504	672146314	/nfs/dbraw/zinc/14/63/14/672146314.db2.gz	ZIOVFOSLCKRXGG-UHFFFAOYSA-N	1	1	353.369	2.291	20	30		FEEDMO
COC1CCN(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1	ZINC000160749549	672293301	/nfs/dbraw/zinc/29/33/01/672293301.db2.gz	PVZPCADMTGJHQK-UHFFFAOYSA-N	1	1	360.380	2.423	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1	ZINC000175855328	672371211	/nfs/dbraw/zinc/37/12/11/672371211.db2.gz	XFYXUJDRFWGCRT-GJZGRUSLSA-N	1	1	365.499	2.428	20	30		FEEDMO
CS(=O)(=O)CCCC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000586783643	672434552	/nfs/dbraw/zinc/43/45/52/672434552.db2.gz	GAGPSWMHXCHUPZ-UHFFFAOYSA-N	1	1	354.447	2.365	20	30		FEEDMO
N#CCCN1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1	ZINC000611174233	676022864	/nfs/dbraw/zinc/02/28/64/676022864.db2.gz	YHKPFYVMLIDTRO-ZDUSSCGKSA-N	1	1	358.269	2.264	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Br)c1	ZINC000611181811	676023391	/nfs/dbraw/zinc/02/33/91/676023391.db2.gz	JQYSHMWMDJUYCD-CVEARBPZSA-N	1	1	350.260	2.356	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@H]1C	ZINC000590236619	672567208	/nfs/dbraw/zinc/56/72/08/672567208.db2.gz	AOMRFPUMLHMTCH-GFCCVEGCSA-N	1	1	362.499	2.408	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@H]1C	ZINC000590236619	672567211	/nfs/dbraw/zinc/56/72/11/672567211.db2.gz	AOMRFPUMLHMTCH-GFCCVEGCSA-N	1	1	362.499	2.408	20	30		FEEDMO
C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)[C@H]2C1	ZINC000590278489	672569709	/nfs/dbraw/zinc/56/97/09/672569709.db2.gz	LGEHGXVICQYBSZ-RISCZKNCSA-N	1	1	360.483	2.018	20	30		FEEDMO
CC(C)[C@@H]1[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC12CCOCC2	ZINC000591242840	672661284	/nfs/dbraw/zinc/66/12/84/672661284.db2.gz	CQOYDVMTXISMKU-SFHVURJKSA-N	1	1	362.495	2.469	20	30		FEEDMO
CC(C)[C@@H]1[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC12CCOCC2	ZINC000591242840	672661285	/nfs/dbraw/zinc/66/12/85/672661285.db2.gz	CQOYDVMTXISMKU-SFHVURJKSA-N	1	1	362.495	2.469	20	30		FEEDMO
C=C[C@@H](O)C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000611721940	676052208	/nfs/dbraw/zinc/05/22/08/676052208.db2.gz	NUJDDXTXNIKKDH-JKSUJKDBSA-N	1	1	356.388	2.446	20	30		FEEDMO
N#CC[C@]1(O)CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1	ZINC000592145918	672763695	/nfs/dbraw/zinc/76/36/95/672763695.db2.gz	BGRNXVXZLCGUEB-HNNXBMFYSA-N	1	1	370.222	2.267	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc(Br)cc1C#N	ZINC000593392874	672917419	/nfs/dbraw/zinc/91/74/19/672917419.db2.gz	VVDRYXFFKAUVMY-HNNXBMFYSA-N	1	1	350.260	2.464	20	30		FEEDMO
COc1cccc([C@H](CNS(=O)(=O)c2ccsc2C#N)[NH+](C)C)c1	ZINC000593525315	672933405	/nfs/dbraw/zinc/93/34/05/672933405.db2.gz	PSWNQVDCSOXICG-AWEZNQCLSA-N	1	1	365.480	2.210	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C	ZINC000685521193	673019202	/nfs/dbraw/zinc/01/92/02/673019202.db2.gz	ZGDFSRJQISHYJT-INIZCTEOSA-N	1	1	363.527	2.499	20	30		FEEDMO
CCNC(NCCCN1CCN(c2cccc(Cl)c2)CC1)=[NH+]CC	ZINC000304006900	673019574	/nfs/dbraw/zinc/01/95/74/673019574.db2.gz	TVMDTOROWVCDDZ-UHFFFAOYSA-N	1	1	351.926	2.427	20	30		FEEDMO
O=C(NCC[NH+]1CCSCC1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1	ZINC000329463560	673078136	/nfs/dbraw/zinc/07/81/36/673078136.db2.gz	UMEOHKJVYXHSRI-HZPDHXFCSA-N	1	1	353.532	2.421	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)NC2CCN(c3nccs3)CC2)C[C@@H]1C	ZINC000329772024	673083208	/nfs/dbraw/zinc/08/32/08/673083208.db2.gz	KGJNPJMRRVKVNL-KBPBESRZSA-N	1	1	351.520	2.440	20	30		FEEDMO
Cc1nc(CN2CCCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cs1	ZINC000329798020	673083589	/nfs/dbraw/zinc/08/35/89/673083589.db2.gz	GFSZUBGRZKQMRW-GDBMZVCRSA-N	1	1	365.547	2.356	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=C(Cc1ccccc1)C1CC1	ZINC000729140593	673225165	/nfs/dbraw/zinc/22/51/65/673225165.db2.gz	JKAGXIWFBMKXHF-UHFFFAOYSA-N	1	1	360.527	2.182	20	30		FEEDMO
C=C(C)[C@@H]([NH2+][C@H]1CCN(CCC(=O)OC)C1=O)c1ccc(F)c(F)c1	ZINC000595440269	673251162	/nfs/dbraw/zinc/25/11/62/673251162.db2.gz	ORNYLDKSYGTGHM-DOTOQJQBSA-N	1	1	352.381	2.336	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1	ZINC000730282987	673269169	/nfs/dbraw/zinc/26/91/69/673269169.db2.gz	RVVUBZFYBDOIBW-DLBZAZTESA-N	1	1	350.821	2.477	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1	ZINC000730282987	673269173	/nfs/dbraw/zinc/26/91/73/673269173.db2.gz	RVVUBZFYBDOIBW-DLBZAZTESA-N	1	1	350.821	2.477	20	30		FEEDMO
N#Cc1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(Br)c1	ZINC000595862326	673331148	/nfs/dbraw/zinc/33/11/48/673331148.db2.gz	ACDLRYQQTXZINO-MRXNPFEDSA-N	1	1	364.287	2.352	20	30		FEEDMO
C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ncc(Br)cc1C#N	ZINC000596362884	673379511	/nfs/dbraw/zinc/37/95/11/673379511.db2.gz	PSBWJYZGOAYQBP-LBPRGKRZSA-N	1	1	354.296	2.400	20	30		FEEDMO
C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ncc(Br)cc1C#N	ZINC000596362884	673379514	/nfs/dbraw/zinc/37/95/14/673379514.db2.gz	PSBWJYZGOAYQBP-LBPRGKRZSA-N	1	1	354.296	2.400	20	30		FEEDMO
C=CCCSCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000596717649	673406937	/nfs/dbraw/zinc/40/69/37/673406937.db2.gz	NXICCRFRDPDLDM-QGZVFWFLSA-N	1	1	354.564	2.106	20	30		FEEDMO
C=CCCSCCNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000596717649	673406939	/nfs/dbraw/zinc/40/69/39/673406939.db2.gz	NXICCRFRDPDLDM-QGZVFWFLSA-N	1	1	354.564	2.106	20	30		FEEDMO
C=CCCSCCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000597303073	673466000	/nfs/dbraw/zinc/46/60/00/673466000.db2.gz	DMLBXKGNFDJYBA-CVEARBPZSA-N	1	1	367.559	2.181	20	30		FEEDMO
Cc1onc(CC(=O)Nc2ccc(Cl)c(C[N@H+](C)CCO)c2)c1C#N	ZINC000597609627	673492648	/nfs/dbraw/zinc/49/26/48/673492648.db2.gz	ISGRJICQTOOTNX-UHFFFAOYSA-N	1	1	362.817	2.113	20	30		FEEDMO
Cc1onc(CC(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)c1C#N	ZINC000597609627	673492650	/nfs/dbraw/zinc/49/26/50/673492650.db2.gz	ISGRJICQTOOTNX-UHFFFAOYSA-N	1	1	362.817	2.113	20	30		FEEDMO
C[NH+]1CCN(N=C2C(=O)Nc3c2cc(Cl)cc3Br)CC1	ZINC000735609526	673497824	/nfs/dbraw/zinc/49/78/24/673497824.db2.gz	WGYBVBJLCUSXAL-UHFFFAOYSA-N	1	1	357.639	2.006	20	30		FEEDMO
CCN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CC[N@@H+](C)C1	ZINC000597944657	673522383	/nfs/dbraw/zinc/52/23/83/673522383.db2.gz	DHJGUZIPANCJJU-OAHLLOKOSA-N	1	1	350.260	2.416	20	30		FEEDMO
CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1	ZINC000598585986	673586728	/nfs/dbraw/zinc/58/67/28/673586728.db2.gz	CITNQNHHIMKXIM-AWEZNQCLSA-N	1	1	351.397	2.023	20	30		FEEDMO
C#CCC[NH+]1CCC(NC(=O)c2ccccc2S(=O)(=O)CCC)CC1	ZINC000740737271	673651798	/nfs/dbraw/zinc/65/17/98/673651798.db2.gz	INHOCWSIDNHFCM-UHFFFAOYSA-N	1	1	362.495	2.088	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599343731	673662143	/nfs/dbraw/zinc/66/21/43/673662143.db2.gz	TVJDDRQTEXNJNI-HOTGVXAUSA-N	1	1	352.475	2.254	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599343731	673662145	/nfs/dbraw/zinc/66/21/45/673662145.db2.gz	TVJDDRQTEXNJNI-HOTGVXAUSA-N	1	1	352.475	2.254	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)C1CC1	ZINC000543808987	673671846	/nfs/dbraw/zinc/67/18/46/673671846.db2.gz	CXBOPYRFNCIYRD-HOCLYGCPSA-N	1	1	355.360	2.137	20	30		FEEDMO
N#CC1(CS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCC1	ZINC000545365301	673763345	/nfs/dbraw/zinc/76/33/45/673763345.db2.gz	RXNCNVWQNVMLLO-WBVHZDCISA-N	1	1	351.516	2.349	20	30		FEEDMO
CC(F)(F)CCS(=O)(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000601455426	673865123	/nfs/dbraw/zinc/86/51/23/673865123.db2.gz	DYCUMORDXJZEPK-UHFFFAOYSA-N	1	1	371.453	2.487	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[NH+](CC3CCSCC3)CC2)cc1	ZINC000602437739	673906170	/nfs/dbraw/zinc/90/61/70/673906170.db2.gz	XLDXQCPIXQDTIV-UHFFFAOYSA-N	1	1	365.524	2.008	20	30		FEEDMO
CC(C)[C@H](CNc1cc(C#N)c(Br)cn1)N1CC[NH+](C)CC1	ZINC000603270524	673920441	/nfs/dbraw/zinc/92/04/41/673920441.db2.gz	JYEBZBQYJKCFOW-HNNXBMFYSA-N	1	1	366.307	2.400	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1nc(Br)sc1C1CC1	ZINC000818602730	675227766	/nfs/dbraw/zinc/22/77/66/675227766.db2.gz	AYFMCDNDAHDXNT-UHFFFAOYSA-N	1	1	356.289	2.468	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cc(I)ccc1C	ZINC000818606453	675228090	/nfs/dbraw/zinc/22/80/90/675228090.db2.gz	UGPCMVWZUKFEBC-UHFFFAOYSA-N	1	1	370.234	2.285	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H](C)CCN1C(=O)OC(C)(C)C	ZINC000818609391	675228477	/nfs/dbraw/zinc/22/84/77/675228477.db2.gz	SQPXIBDHHABHDC-CVEARBPZSA-N	1	1	351.491	2.093	20	30		FEEDMO
C#CC[C@@H]1CCC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1	ZINC000829774371	675890200	/nfs/dbraw/zinc/89/02/00/675890200.db2.gz	PKOIDFGFAGPWTE-OAHLLOKOSA-N	1	1	361.873	2.472	20	30		FEEDMO
N#CCc1ccccc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000619572267	676385656	/nfs/dbraw/zinc/38/56/56/676385656.db2.gz	USOMJZMTAPVZIN-SFHVURJKSA-N	1	1	355.463	2.305	20	30		FEEDMO
N#CCc1ccccc1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000619572267	676385659	/nfs/dbraw/zinc/38/56/59/676385659.db2.gz	USOMJZMTAPVZIN-SFHVURJKSA-N	1	1	355.463	2.305	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C	ZINC000619711367	676391613	/nfs/dbraw/zinc/39/16/13/676391613.db2.gz	UJQJQXPXWGZLDV-QGZVFWFLSA-N	1	1	364.515	2.063	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(C#N)c(Cl)c2)C1	ZINC000619769626	676394148	/nfs/dbraw/zinc/39/41/48/676394148.db2.gz	OAVXKTLBHKPXCA-INIZCTEOSA-N	1	1	364.877	2.368	20	30		FEEDMO
CN1CC[NH+](C(C)(C)CNC(=O)NCc2ccc(C#N)c(Cl)c2)CC1	ZINC000619811490	676395813	/nfs/dbraw/zinc/39/58/13/676395813.db2.gz	MGHULVYCCUBJIO-UHFFFAOYSA-N	1	1	363.893	2.037	20	30		FEEDMO
CCOCC[NH+]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1	ZINC000619827976	676396643	/nfs/dbraw/zinc/39/66/43/676396643.db2.gz	HQMSZYMGVBXENM-UHFFFAOYSA-N	1	1	350.850	2.075	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH+]1CCC(Oc2ccc(Cl)cn2)CC1	ZINC000839202520	680744549	/nfs/dbraw/zinc/74/45/49/680744549.db2.gz	INAQOERUSYROGB-UHFFFAOYSA-N	1	1	350.850	2.340	20	30		FEEDMO
C=CC[N@H+](CC(=O)NCC(=O)Nc1cccc(Cl)c1C)[C@H](C)COC	ZINC000661243433	678457381	/nfs/dbraw/zinc/45/73/81/678457381.db2.gz	KBPYYXBZUINTOC-CYBMUJFWSA-N	1	1	367.877	2.226	20	30		FEEDMO
C=CC[N@@H+](CC(=O)NCC(=O)Nc1cccc(Cl)c1C)[C@H](C)COC	ZINC000661243433	678457384	/nfs/dbraw/zinc/45/73/84/678457384.db2.gz	KBPYYXBZUINTOC-CYBMUJFWSA-N	1	1	367.877	2.226	20	30		FEEDMO
CC(C)[C@H](C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O)[NH+]1CCCC1	ZINC000764554669	680814502	/nfs/dbraw/zinc/81/45/02/680814502.db2.gz	YHGQIKFWIJJZDK-HUUCEWRRSA-N	1	1	361.467	2.389	20	30		FEEDMO
CC(C)[C@H](C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O)[NH+]1CCCC1	ZINC000764554672	680814539	/nfs/dbraw/zinc/81/45/39/680814539.db2.gz	YHGQIKFWIJJZDK-LSDHHAIUSA-N	1	1	361.467	2.389	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCc2c(F)cccc2F)C1	ZINC001015726475	680050717	/nfs/dbraw/zinc/05/07/17/680050717.db2.gz	NPKMALPKCCLOCP-SIIHOXLZSA-N	1	1	350.409	2.289	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCc2c(F)cccc2F)C1	ZINC001015726475	680050718	/nfs/dbraw/zinc/05/07/18/680050718.db2.gz	NPKMALPKCCLOCP-SIIHOXLZSA-N	1	1	350.409	2.289	20	30		FEEDMO
O=C(N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001015731925	680051116	/nfs/dbraw/zinc/05/11/16/680051116.db2.gz	SLUMHJLDSYEMEN-MANSERQUSA-N	1	1	358.869	2.450	20	30		FEEDMO
O=C(N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001015731925	680051121	/nfs/dbraw/zinc/05/11/21/680051121.db2.gz	SLUMHJLDSYEMEN-MANSERQUSA-N	1	1	358.869	2.450	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1snnc1C)CC2	ZINC000992243403	680098129	/nfs/dbraw/zinc/09/81/29/680098129.db2.gz	VOSBOKGKVMARNV-YQYZPQCESA-N	1	1	362.499	2.051	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1snnc1C)CC2	ZINC000992243403	680098132	/nfs/dbraw/zinc/09/81/32/680098132.db2.gz	VOSBOKGKVMARNV-YQYZPQCESA-N	1	1	362.499	2.051	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000832250029	680115949	/nfs/dbraw/zinc/11/59/49/680115949.db2.gz	DKJWCKHBIVSDKN-CVEARBPZSA-N	1	1	351.491	2.258	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]21	ZINC000978166104	680170442	/nfs/dbraw/zinc/17/04/42/680170442.db2.gz	JBJWAHNNDUNULM-MTSZKFMLSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]21	ZINC000978166104	680170443	/nfs/dbraw/zinc/17/04/43/680170443.db2.gz	JBJWAHNNDUNULM-MTSZKFMLSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCc2csc(C)n2)C1	ZINC001023599598	680265140	/nfs/dbraw/zinc/26/51/40/680265140.db2.gz	ORSLJZKDJJRXKF-NXHRZFHOSA-N	1	1	363.527	2.413	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@H](C)COC)C[C@]2(C)C1	ZINC000982642708	680283622	/nfs/dbraw/zinc/28/36/22/680283622.db2.gz	UGGYJBSUPIXXAT-QQBOBMDFSA-N	1	1	350.503	2.173	20	30		FEEDMO
CCN(CC)S(=O)(=O)c1ccc(N=NC2C[C@@H](C)[N@H+](C3CC3)C2)nc1	ZINC000753954326	680326600	/nfs/dbraw/zinc/32/66/00/680326600.db2.gz	CZWMDFUXASADGA-CYBMUJFWSA-N	1	1	365.503	2.137	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@H]3CC3(Cl)Cl)C[C@H]21	ZINC001026056826	680340451	/nfs/dbraw/zinc/34/04/51/680340451.db2.gz	DRPYDDNZHODGKH-ZLCQRPCESA-N	1	1	359.297	2.208	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@]23CCC[C@H]2OCC3)C1	ZINC001028685018	680379702	/nfs/dbraw/zinc/37/97/02/680379702.db2.gz	BBMWHCBZPLLHHE-LZWOXQAQSA-N	1	1	357.292	2.292	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@]23CCC[C@H]2OCC3)C1	ZINC001028685018	680379705	/nfs/dbraw/zinc/37/97/05/680379705.db2.gz	BBMWHCBZPLLHHE-LZWOXQAQSA-N	1	1	357.292	2.292	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)s1	ZINC001028703003	680381065	/nfs/dbraw/zinc/38/10/65/680381065.db2.gz	ZKZJADCZQIEMDG-VHSSKADRSA-N	1	1	359.495	2.373	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCO[C@H]2C(=C)C)C1	ZINC001028862559	680385745	/nfs/dbraw/zinc/38/57/45/680385745.db2.gz	UZUAOSHZVYXKHP-ILXRZTDVSA-N	1	1	357.292	2.314	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCO[C@H]2C(=C)C)C1	ZINC001028862559	680385750	/nfs/dbraw/zinc/38/57/50/680385750.db2.gz	UZUAOSHZVYXKHP-ILXRZTDVSA-N	1	1	357.292	2.314	20	30		FEEDMO
C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1	ZINC000998930285	680391787	/nfs/dbraw/zinc/39/17/87/680391787.db2.gz	QBIYKUFOHBVVSC-FIYWTHMPSA-N	1	1	353.264	2.001	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(OC)ns2)C1	ZINC001029846183	680393652	/nfs/dbraw/zinc/39/36/52/680393652.db2.gz	BBUYEQWKTPJJAR-IMJJTQAJSA-N	1	1	365.499	2.023	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2csnn2)C1	ZINC000984918190	680396818	/nfs/dbraw/zinc/39/68/18/680396818.db2.gz	VZZFXTPXGUBLMC-YGJAXBLXSA-N	1	1	350.488	2.065	20	30		FEEDMO
C[NH+]1CCN(c2ncc(C=[NH+][N-]c3ncc(Cl)cc3Cl)cn2)CC1	ZINC000755542229	680420580	/nfs/dbraw/zinc/42/05/80/680420580.db2.gz	OPQGALIDOTYMGN-UHFFFAOYSA-N	1	1	366.256	2.376	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](CCOC2CCC2)C1	ZINC001033836755	680425689	/nfs/dbraw/zinc/42/56/89/680425689.db2.gz	JJRCIJUXNABYAZ-UHOSZYNNSA-N	1	1	350.503	2.460	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nn(C)cc2Cl)C1	ZINC001000434814	680431879	/nfs/dbraw/zinc/43/18/79/680431879.db2.gz	MPNBTYRLXOKSQU-KEYYUXOJSA-N	1	1	366.893	2.135	20	30		FEEDMO
C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001034272114	680432680	/nfs/dbraw/zinc/43/26/80/680432680.db2.gz	RRJKTENNZKEMDI-ZNMIVQPWSA-N	1	1	364.408	2.270	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2	ZINC001000470747	680433231	/nfs/dbraw/zinc/43/32/31/680433231.db2.gz	XPHWSLMURUTJSN-OJLVUWQFSA-N	1	1	367.921	2.498	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1	ZINC001034647383	680436530	/nfs/dbraw/zinc/43/65/30/680436530.db2.gz	OHMUMJBVJMMPJP-XOUADPBQSA-N	1	1	350.488	2.036	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000836258577	680442175	/nfs/dbraw/zinc/44/21/75/680442175.db2.gz	RHRFFPNMRXXCGL-INIZCTEOSA-N	1	1	362.905	2.421	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)C[C@@H]2CCCOC2)CC1	ZINC000985435456	680447816	/nfs/dbraw/zinc/44/78/16/680447816.db2.gz	KVMAEVLTWOEWIB-UHOSZYNNSA-N	1	1	350.503	2.317	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CC3(C2)CCN(C(=O)[C@]24C[C@H]2COC4)CC3)s1	ZINC001035711540	680451300	/nfs/dbraw/zinc/45/13/00/680451300.db2.gz	VUAVTFOUXOGWLU-LIRRHRJNSA-N	1	1	357.479	2.081	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCOCC1	ZINC001038807957	680461731	/nfs/dbraw/zinc/46/17/31/680461731.db2.gz	NRWKUYSESLAABW-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=CCS(=O)(=O)CCNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1	ZINC000836391741	680462794	/nfs/dbraw/zinc/46/27/94/680462794.db2.gz	JMFKZVORGIRSHC-UHFFFAOYSA-N	1	1	373.563	2.129	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3scnc3C)C2)C1	ZINC001041696820	680508936	/nfs/dbraw/zinc/50/89/36/680508936.db2.gz	WLLQLWYODSXPRP-GJYPPUQNSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCO)CC1	ZINC001004579633	680560940	/nfs/dbraw/zinc/56/09/40/680560940.db2.gz	OZAHWGURZKIJHW-OTWHNJEPSA-N	1	1	350.503	2.053	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1	ZINC001043511863	680584872	/nfs/dbraw/zinc/58/48/72/680584872.db2.gz	LGFYIGPXSIMDGK-NTZNESFSSA-N	1	1	367.906	2.411	20	30		FEEDMO
C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)C1	ZINC001046038062	680643272	/nfs/dbraw/zinc/64/32/72/680643272.db2.gz	GOWSXVYUZZNSLH-CEXWTWQISA-N	1	1	357.523	2.093	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(CC)ns1	ZINC001046162214	680644360	/nfs/dbraw/zinc/64/43/60/680644360.db2.gz	KMLNTEIYNRXVPD-KFWWJZLASA-N	1	1	361.515	2.037	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1nc(CC)ns1	ZINC001046162214	680644366	/nfs/dbraw/zinc/64/43/66/680644366.db2.gz	KMLNTEIYNRXVPD-KFWWJZLASA-N	1	1	361.515	2.037	20	30		FEEDMO
C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1	ZINC001046959659	680654568	/nfs/dbraw/zinc/65/45/68/680654568.db2.gz	CVMRFGWYWYMFQE-RRFJBIMHSA-N	1	1	352.429	2.173	20	30		FEEDMO
C=C(Br)CN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001049481239	681032626	/nfs/dbraw/zinc/03/26/26/681032626.db2.gz	HVZDNAOJMITBMJ-FPCVCCKLSA-N	1	1	370.335	2.301	20	30		FEEDMO
Cc1nsc(N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@H]2C)c1C#N	ZINC001050921444	681057841	/nfs/dbraw/zinc/05/78/41/681057841.db2.gz	SSMPASQKJJHBGI-AEIGPULVSA-N	1	1	361.515	2.137	20	30		FEEDMO
C[NH+]1CCN(c2ccc(C=Nn3c(=S)[nH]nc3C(F)(F)F)cc2)CC1	ZINC000771555962	681059488	/nfs/dbraw/zinc/05/94/88/681059488.db2.gz	RRHVRCAGJKAGMC-UHFFFAOYSA-N	1	1	370.404	2.220	20	30		FEEDMO
C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)CC1	ZINC001052093134	681071238	/nfs/dbraw/zinc/07/12/38/681071238.db2.gz	JQLXZBFONMOQAE-KZNAEPCWSA-N	1	1	357.523	2.012	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCCO)C2)C1	ZINC001054212626	681106620	/nfs/dbraw/zinc/10/66/20/681106620.db2.gz	JSWOFWBIWAYMRO-CMKODMSKSA-N	1	1	350.503	2.055	20	30		FEEDMO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)CC1	ZINC000775443361	681307047	/nfs/dbraw/zinc/30/70/47/681307047.db2.gz	OQAWHDIAJVTRNT-CYBMUJFWSA-N	1	1	354.281	2.421	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](CC#N)C(F)(F)F)[C@H](C)C1	ZINC000932919447	681328355	/nfs/dbraw/zinc/32/83/55/681328355.db2.gz	ISOQYGBMTKINNT-HZSPNIEDSA-N	1	1	364.412	2.267	20	30		FEEDMO
COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932941942	681331926	/nfs/dbraw/zinc/33/19/26/681331926.db2.gz	DVXWJWJSRBZIKB-PRJMDXOYSA-N	1	1	357.241	2.097	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[C@@H]1CCCO1	ZINC000775797807	681336262	/nfs/dbraw/zinc/33/62/62/681336262.db2.gz	DTOMEDSYNVWHMA-CIUDSAMLSA-N	1	1	362.298	2.480	20	30		FEEDMO
C#CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C	ZINC000775863726	681342768	/nfs/dbraw/zinc/34/27/68/681342768.db2.gz	PYCYSHQZQXWWNY-MRXNPFEDSA-N	1	1	351.491	2.285	20	30		FEEDMO
C#Cc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)c1	ZINC000933374624	681401064	/nfs/dbraw/zinc/40/10/64/681401064.db2.gz	MYHADWGAOMECEK-CQSZACIVSA-N	1	1	362.861	2.030	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C(=O)OC)c2cccc(Br)c2)CC1	ZINC000776594840	681413264	/nfs/dbraw/zinc/41/32/64/681413264.db2.gz	YLMRFFUNLRQWBE-MRXNPFEDSA-N	1	1	365.271	2.304	20	30		FEEDMO
C#CCOCC[N@H+]1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1	ZINC000933829645	681472565	/nfs/dbraw/zinc/47/25/65/681472565.db2.gz	LDOFWFAFIQSHEM-UHFFFAOYSA-N	1	1	352.475	2.175	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCOC2CCC2)CC1	ZINC000948785333	681597963	/nfs/dbraw/zinc/59/79/63/681597963.db2.gz	GZUCJIBFRQVXOX-QRQLOZEOSA-N	1	1	350.503	2.460	20	30		FEEDMO
C=CCCC[N@@H+](CC)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1	ZINC000934650309	681605731	/nfs/dbraw/zinc/60/57/31/681605731.db2.gz	JLASWZCFKINWLM-KRWDZBQOSA-N	1	1	356.532	2.233	20	30		FEEDMO
C=CCCC[N@H+](CC)CC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1	ZINC000934650309	681605735	/nfs/dbraw/zinc/60/57/35/681605735.db2.gz	JLASWZCFKINWLM-KRWDZBQOSA-N	1	1	356.532	2.233	20	30		FEEDMO
CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2ccc(C#N)cc2F)CC1	ZINC000934758243	681624467	/nfs/dbraw/zinc/62/44/67/681624467.db2.gz	NSHHPLYZAXDGBT-XMMPIXPASA-N	1	1	352.479	2.484	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1	ZINC000949361891	681634665	/nfs/dbraw/zinc/63/46/65/681634665.db2.gz	KALBLSGINQTRJL-BPLDGKMQSA-N	1	1	355.910	2.070	20	30		FEEDMO
C=CC1(CC(=O)N2CC[N@H+](C)CC2(C)C)CN(C(=O)OC(C)(C)C)C1	ZINC000935174060	681704397	/nfs/dbraw/zinc/70/43/97/681704397.db2.gz	YROWTAAZLHPRDR-UHFFFAOYSA-N	1	1	351.491	2.352	20	30		FEEDMO
C=CCSCCNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1	ZINC000849510940	681755761	/nfs/dbraw/zinc/75/57/61/681755761.db2.gz	MUKKFHKFBOOYSV-IRXDYDNUSA-N	1	1	350.532	2.269	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1csc(C#N)c1)c1ccc(F)cc1	ZINC000913947594	685489842	/nfs/dbraw/zinc/48/98/42/685489842.db2.gz	HEZFJAWNXVNCBI-INIZCTEOSA-N	1	1	367.471	2.481	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1	ZINC000780908284	681885312	/nfs/dbraw/zinc/88/53/12/681885312.db2.gz	SBUSBAVVADRPHS-GOSISDBHSA-N	1	1	355.463	2.040	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1	ZINC000914273423	685502030	/nfs/dbraw/zinc/50/20/30/685502030.db2.gz	GNKKEQOOTHPGBR-YOEHRIQHSA-N	1	1	365.524	2.398	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCOCC1	ZINC000960648947	682055927	/nfs/dbraw/zinc/05/59/27/682055927.db2.gz	VSSMPJNQLHAWGO-QRVBRYPASA-N	1	1	350.503	2.317	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3C[C@H]4C[C@@]4(CO)C3)sc2C1	ZINC000782602259	682062960	/nfs/dbraw/zinc/06/29/60/682062960.db2.gz	AGNLFEARLVPGFD-VPZZIHKRSA-N	1	1	359.495	2.387	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOC2CCC2)CC1(C)C	ZINC000941040208	682096816	/nfs/dbraw/zinc/09/68/16/682096816.db2.gz	XHHJPJAYHKALSP-FGTMMUONSA-N	1	1	350.503	2.363	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cc(C#N)ccc1OCCOC	ZINC000783789541	682177265	/nfs/dbraw/zinc/17/72/65/682177265.db2.gz	PBVURZUYHHBRFQ-HNNXBMFYSA-N	1	1	362.499	2.354	20	30		FEEDMO
C#CCC[N@H+](CCOC)C[C@@H](O)COc1cc(F)cc(Br)c1	ZINC000852748579	682335265	/nfs/dbraw/zinc/33/52/65/682335265.db2.gz	DNWMINFWAJQLRH-OAHLLOKOSA-N	1	1	374.250	2.300	20	30		FEEDMO
CC[N@H+](CCNC(=O)OC(C)(C)C)CC(=O)NC1(C#N)CCCCC1	ZINC000859529169	683123979	/nfs/dbraw/zinc/12/39/79/683123979.db2.gz	LTWXMAJMFHQKIM-UHFFFAOYSA-N	1	1	352.479	2.176	20	30		FEEDMO
CC[N@@H+](CCNC(=O)OC(C)(C)C)CC(=O)NC1(C#N)CCCCC1	ZINC000859529169	683123982	/nfs/dbraw/zinc/12/39/82/683123982.db2.gz	LTWXMAJMFHQKIM-UHFFFAOYSA-N	1	1	352.479	2.176	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000919848357	683303139	/nfs/dbraw/zinc/30/31/39/683303139.db2.gz	UYAGLARVGGAMHG-QWHCGFSZSA-N	1	1	373.400	2.434	20	30		FEEDMO
CC(C)(C)OC(=O)N(CC=NNCCC[NH+]1CCOCC1)C(C)(C)C	ZINC000799486464	683459743	/nfs/dbraw/zinc/45/97/43/683459743.db2.gz	BRFZBTLDJPGNJP-UHFFFAOYSA-N	1	1	356.511	2.320	20	30		FEEDMO
C[C@]1(C#N)CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CCO1	ZINC000930033881	683671753	/nfs/dbraw/zinc/67/17/53/683671753.db2.gz	WHKSXDMWGFENRG-SFHVURJKSA-N	1	1	360.483	2.382	20	30		FEEDMO
Cn1nc(Br)c2c1ncnc2N=NC1CC[N@@H+](C)C(C)(C)C1	ZINC000863088587	683676900	/nfs/dbraw/zinc/67/69/00/683676900.db2.gz	LKPSROLQPWBYKF-UHFFFAOYSA-N	1	1	366.267	2.398	20	30		FEEDMO
C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)CS1(=O)=O	ZINC000922246228	683687225	/nfs/dbraw/zinc/68/72/25/683687225.db2.gz	KAKZCTWOVROCLY-ZWNOBZJWSA-N	1	1	357.273	2.376	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1	ZINC000930454474	683736124	/nfs/dbraw/zinc/73/61/24/683736124.db2.gz	XPCHMGVUQJNTGM-GOEBONIOSA-N	1	1	354.372	2.489	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc(Br)ncc2C)C1	ZINC000930930640	683804950	/nfs/dbraw/zinc/80/49/50/683804950.db2.gz	KMEWDPRIKIGSEP-GFCCVEGCSA-N	1	1	351.248	2.372	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(Br)ncc2C)C1	ZINC000930930640	683804957	/nfs/dbraw/zinc/80/49/57/683804957.db2.gz	KMEWDPRIKIGSEP-GFCCVEGCSA-N	1	1	351.248	2.372	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@H](C)C(=O)Nc2cccc(Br)c2)CC1	ZINC000931144942	683841153	/nfs/dbraw/zinc/84/11/53/683841153.db2.gz	KLKLYOAKHLSPRS-GFCCVEGCSA-N	1	1	351.244	2.236	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1	ZINC000931150416	683842362	/nfs/dbraw/zinc/84/23/62/683842362.db2.gz	CYKMNFYRGHQZIK-OAHLLOKOSA-N	1	1	363.255	2.015	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc[nH+]c1C	ZINC000865067303	683930345	/nfs/dbraw/zinc/93/03/45/683930345.db2.gz	SVSPGQPBKRHDNO-CYBMUJFWSA-N	1	1	356.854	2.344	20	30		FEEDMO
C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cccc(C#N)c1O	ZINC000866227263	684084642	/nfs/dbraw/zinc/08/46/42/684084642.db2.gz	XONJYUMBJJHSFC-CYBMUJFWSA-N	1	1	359.451	2.365	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cnc2Cl)CC1	ZINC000866744444	684143972	/nfs/dbraw/zinc/14/39/72/684143972.db2.gz	KVGXLEJUZQYAIU-UHFFFAOYSA-N	1	1	350.271	2.317	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1=CC[N@@H+](C)CC1	ZINC000867229517	684229837	/nfs/dbraw/zinc/22/98/37/684229837.db2.gz	JOIXKZLXSRDOOL-AWEZNQCLSA-N	1	1	357.882	2.400	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)C2(c3cncc(Br)c3)CC2)C1	ZINC000923561521	684306358	/nfs/dbraw/zinc/30/63/58/684306358.db2.gz	DWHBRGCJJIHULP-OAHLLOKOSA-N	1	1	362.271	2.090	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(c3cncc(Br)c3)CC2)C1	ZINC000923561521	684306360	/nfs/dbraw/zinc/30/63/60/684306360.db2.gz	DWHBRGCJJIHULP-OAHLLOKOSA-N	1	1	362.271	2.090	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1	ZINC000923582207	684308293	/nfs/dbraw/zinc/30/82/93/684308293.db2.gz	HCUOBOFCNRZPBJ-GFCCVEGCSA-N	1	1	356.392	2.484	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)C1	ZINC000923582207	684308297	/nfs/dbraw/zinc/30/82/97/684308297.db2.gz	HCUOBOFCNRZPBJ-GFCCVEGCSA-N	1	1	356.392	2.484	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC[C@@H]21	ZINC000867813315	684397273	/nfs/dbraw/zinc/39/72/73/684397273.db2.gz	UXYXSFKPDUHFGE-RISCZKNCSA-N	1	1	373.400	2.292	20	30		FEEDMO
N#Cc1cnc(Cl)c(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c1	ZINC000877374014	686367866	/nfs/dbraw/zinc/36/78/66/686367866.db2.gz	UFEUPBJVZKIPCA-UHFFFAOYSA-N	1	1	361.808	2.267	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCN(C)c1ncc(C#N)cc1Br	ZINC000882379945	687357014	/nfs/dbraw/zinc/35/70/14/687357014.db2.gz	LQICPHYOVUMWER-UHFFFAOYSA-N	1	1	354.296	2.035	20	30		FEEDMO
CN(CCCN(C)c1ncc(C#N)cc1Br)CC[NH+](C)C	ZINC000882379945	687357016	/nfs/dbraw/zinc/35/70/16/687357016.db2.gz	LQICPHYOVUMWER-UHFFFAOYSA-N	1	1	354.296	2.035	20	30		FEEDMO
C=CCCc1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000882417791	687364199	/nfs/dbraw/zinc/36/41/99/687364199.db2.gz	BYDQMAKTIHLVTP-GOSISDBHSA-N	1	1	364.511	2.025	20	30		FEEDMO
N#Cc1nc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Br	ZINC000883080001	687558786	/nfs/dbraw/zinc/55/87/86/687558786.db2.gz	MWUWIUGBYVVAEY-GHMZBOCLSA-N	1	1	364.247	2.464	20	30		FEEDMO
C#CC[N@@H+](CC(=O)N[C@@H](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427282	688254130	/nfs/dbraw/zinc/25/41/30/688254130.db2.gz	FWNHHZCNZMVCPS-HNNXBMFYSA-N	1	1	351.491	2.236	20	30		FEEDMO
C#CC[N@H+](CC(=O)N[C@@H](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427282	688254134	/nfs/dbraw/zinc/25/41/34/688254134.db2.gz	FWNHHZCNZMVCPS-HNNXBMFYSA-N	1	1	351.491	2.236	20	30		FEEDMO
C#CCN(C(=O)c1cccc(S(=O)(=O)C(C)C)c1)C1CC[NH+](C)CC1	ZINC000886578602	688279250	/nfs/dbraw/zinc/27/92/50/688279250.db2.gz	DGZNDRJGSSOLAL-UHFFFAOYSA-N	1	1	362.495	2.038	20	30		FEEDMO
N#CCCc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1	ZINC000886886691	688332324	/nfs/dbraw/zinc/33/23/24/688332324.db2.gz	PMNVPHYJZZZTAB-IBGZPJMESA-N	1	1	355.463	2.478	20	30		FEEDMO
C=C(C)CNc1nc(-c2cn(CC[N@H+]3CC[C@@H](N(C)C)C3)nn2)cs1	ZINC000887467319	688431210	/nfs/dbraw/zinc/43/12/10/688431210.db2.gz	NBZWFHVDUDHGPJ-CQSZACIVSA-N	1	1	361.519	2.026	20	30		FEEDMO
C=C(C)CNc1nc(-c2cn(CC[N@@H+]3CC[C@@H](N(C)C)C3)nn2)cs1	ZINC000887467319	688431213	/nfs/dbraw/zinc/43/12/13/688431213.db2.gz	NBZWFHVDUDHGPJ-CQSZACIVSA-N	1	1	361.519	2.026	20	30		FEEDMO
Cc1nc(SCC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c(C#N)c(C)c1C	ZINC000887937848	688523473	/nfs/dbraw/zinc/52/34/73/688523473.db2.gz	NOKKBPWNHUXTNM-BEFAXECRSA-N	1	1	358.511	2.381	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000887971084	688528116	/nfs/dbraw/zinc/52/81/16/688528116.db2.gz	PPHGVJKVQBYJSF-IBGZPJMESA-N	1	1	355.463	2.215	20	30		FEEDMO
C#CCSCC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000889198213	688744259	/nfs/dbraw/zinc/74/42/59/688744259.db2.gz	JRHZFBNBKRIHDH-QGZVFWFLSA-N	1	1	359.495	2.158	20	30		FEEDMO
N#Cc1csc(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1	ZINC000892019852	689141512	/nfs/dbraw/zinc/14/15/12/689141512.db2.gz	OMCYKCZFNGRXLW-OAHLLOKOSA-N	1	1	355.467	2.479	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNC(=O)N(C)Cc2cc(C#N)cs2)CCCO1	ZINC000894448991	689533690	/nfs/dbraw/zinc/53/36/90/689533690.db2.gz	RBYUCTLGNDAEII-AWEZNQCLSA-N	1	1	350.488	2.262	20	30		FEEDMO
C#CC1(O)CC[NH+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1	ZINC000895383294	689707418	/nfs/dbraw/zinc/70/74/18/689707418.db2.gz	RKGXPRBGRYVFBR-UHFFFAOYSA-N	1	1	356.325	2.165	20	30		FEEDMO
N#Cc1csc(CNC(=O)N2CC[NH+](CCc3cccs3)CC2)n1	ZINC000897298736	690002074	/nfs/dbraw/zinc/00/20/74/690002074.db2.gz	HTFVFDQMWOZIFZ-UHFFFAOYSA-N	1	1	361.496	2.146	20	30		FEEDMO
N#C[C@@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1c(Cl)cccc1Cl	ZINC000900609327	690538476	/nfs/dbraw/zinc/53/84/76/690538476.db2.gz	XWQPWNGDKGCSFK-BXUZGUMPSA-N	1	1	354.237	2.395	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1	ZINC000906603809	691290394	/nfs/dbraw/zinc/29/03/94/691290394.db2.gz	LLHGVHXZYHRLCX-UHFFFAOYSA-N	1	1	363.874	2.364	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@]2(C)C1	ZINC000907554652	691518368	/nfs/dbraw/zinc/51/83/68/691518368.db2.gz	PBCNKXPNQMSUBQ-HIFRSBDPSA-N	1	1	373.400	2.149	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccsc1C#N	ZINC000907554780	691518404	/nfs/dbraw/zinc/51/84/04/691518404.db2.gz	QUNLHDXOEVZZTL-LJQANCHMSA-N	1	1	355.463	2.329	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1C#N)[C@H]2C	ZINC001164856194	720951421	/nfs/dbraw/zinc/95/14/21/720951421.db2.gz	CHYMADBVLBSPRA-ZDUSSCGKSA-N	1	1	369.429	2.479	20	30		FEEDMO
N#Cc1cc(Cl)nnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164900135	721522032	/nfs/dbraw/zinc/52/20/32/721522032.db2.gz	OKJFWLDZFXKQOB-GDBMZVCRSA-N	1	1	373.819	2.483	20	30		FEEDMO
Cc1nc(C#N)cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164912100	721548539	/nfs/dbraw/zinc/54/85/39/721548539.db2.gz	YRRJPMHAWFGNQU-WMZOPIPTSA-N	1	1	353.401	2.138	20	30		FEEDMO
C=CC[NH+]1CCN(c2ncnc3c2c(C(=O)OCC)c2ccccn23)CC1	ZINC001165033133	721863488	/nfs/dbraw/zinc/86/34/88/721863488.db2.gz	CWDQWIZKJGMRBL-UHFFFAOYSA-N	1	1	365.437	2.367	20	30		FEEDMO
Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1C#N	ZINC001164981573	722111289	/nfs/dbraw/zinc/11/12/89/722111289.db2.gz	UNSHLMWLUDIQAT-UYAOXDASSA-N	1	1	363.465	2.384	20	30		FEEDMO
N#Cc1c(F)ccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164979210	722126086	/nfs/dbraw/zinc/12/60/86/722126086.db2.gz	POVJIDWZPQWWOK-APWZRJJASA-N	1	1	367.428	2.215	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1	ZINC000025698447	539766358	/nfs/dbraw/zinc/76/63/58/539766358.db2.gz	DKRDLYYBNFGONU-PZJWPPBQSA-N	1	1	351.450	2.309	20	30		FEEDMO
COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000026329485	539783578	/nfs/dbraw/zinc/78/35/78/539783578.db2.gz	RHFPFWNBPJFVSK-OAHLLOKOSA-N	1	1	365.433	2.482	20	30		FEEDMO
COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000026329485	539783582	/nfs/dbraw/zinc/78/35/82/539783582.db2.gz	RHFPFWNBPJFVSK-OAHLLOKOSA-N	1	1	365.433	2.482	20	30		FEEDMO
CCC(CC)C(=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000027611562	539811983	/nfs/dbraw/zinc/81/19/83/539811983.db2.gz	HUXRBTXEGFJRLR-UHFFFAOYSA-N	1	1	356.470	2.467	20	30		FEEDMO
COC(=O)c1cc(C[N@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)oc1C	ZINC000028695030	539836134	/nfs/dbraw/zinc/83/61/34/539836134.db2.gz	ZFMQAKLHMWQBIF-INIZCTEOSA-N	1	1	372.421	2.312	20	30		FEEDMO
COC(=O)c1cc(C[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)oc1C	ZINC000028695030	539836136	/nfs/dbraw/zinc/83/61/36/539836136.db2.gz	ZFMQAKLHMWQBIF-INIZCTEOSA-N	1	1	372.421	2.312	20	30		FEEDMO
Cc1ccccc1C[N@H+]1CCCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000030153923	539874719	/nfs/dbraw/zinc/87/47/19/539874719.db2.gz	WFHHPVMOPWLNEM-NRFANRHFSA-N	1	1	354.498	2.311	20	30		FEEDMO
N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1	ZINC000030532173	539884316	/nfs/dbraw/zinc/88/43/16/539884316.db2.gz	TZLVVEZFZBQUSZ-INIZCTEOSA-N	1	1	355.413	2.259	20	30		FEEDMO
CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000030969155	539895162	/nfs/dbraw/zinc/89/51/62/539895162.db2.gz	RDCRNSTUUFSMSC-DNVCBOLYSA-N	1	1	350.507	2.058	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[N@H+]1CCC[C@H](C)C1	ZINC000041655015	540029421	/nfs/dbraw/zinc/02/94/21/540029421.db2.gz	HRRRLWPMNGNYJJ-STQMWFEESA-N	1	1	362.861	2.387	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[N@@H+]1CCc2sccc2C1	ZINC000041965376	540042905	/nfs/dbraw/zinc/04/29/05/540042905.db2.gz	DGKZFEXYXZJCAN-ZDUSSCGKSA-N	1	1	368.462	2.121	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1	ZINC000041965376	540042910	/nfs/dbraw/zinc/04/29/10/540042910.db2.gz	DGKZFEXYXZJCAN-ZDUSSCGKSA-N	1	1	368.462	2.121	20	30		FEEDMO
N#Cc1cccc(OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1	ZINC000045101826	540203605	/nfs/dbraw/zinc/20/36/05/540203605.db2.gz	IMZKXLGCQYNZGQ-UHFFFAOYSA-N	1	1	357.454	2.088	20	30		FEEDMO
N#Cc1ccc(N2CCC[N@@H+](CC(=O)NCc3cccs3)CC2)cc1	ZINC000046085672	540241776	/nfs/dbraw/zinc/24/17/76/540241776.db2.gz	LZQNJXIVVOKLLW-UHFFFAOYSA-N	1	1	354.479	2.448	20	30		FEEDMO
N#Cc1ccc(N2CCC[N@H+](CC(=O)NCc3cccs3)CC2)cc1	ZINC000046085672	540241778	/nfs/dbraw/zinc/24/17/78/540241778.db2.gz	LZQNJXIVVOKLLW-UHFFFAOYSA-N	1	1	354.479	2.448	20	30		FEEDMO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1	ZINC000047106076	540290498	/nfs/dbraw/zinc/29/04/98/540290498.db2.gz	LXLTXSIMAPPNRE-WOJBJXKFSA-N	1	1	367.497	2.012	20	30		FEEDMO
CC(C)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000048131689	540346501	/nfs/dbraw/zinc/34/65/01/540346501.db2.gz	AMVHZGFGFRIAKM-IBGZPJMESA-N	1	1	374.554	2.180	20	30		FEEDMO
CCCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000051062923	540421786	/nfs/dbraw/zinc/42/17/86/540421786.db2.gz	CHEOWAZLKYEUIJ-KRWDZBQOSA-N	1	1	362.518	2.300	20	30		FEEDMO
CCC[N@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1ccc(C#N)cc1	ZINC000051855322	540446598	/nfs/dbraw/zinc/44/65/98/540446598.db2.gz	KSWCVWNMWDAPKT-QGZVFWFLSA-N	1	1	370.497	2.287	20	30		FEEDMO
CCC[N@@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1ccc(C#N)cc1	ZINC000051855322	540446602	/nfs/dbraw/zinc/44/66/02/540446602.db2.gz	KSWCVWNMWDAPKT-QGZVFWFLSA-N	1	1	370.497	2.287	20	30		FEEDMO
N#Cc1ccnc(N2CC[NH+](CCOCCOc3ccccc3)CC2)c1	ZINC000051877492	540447111	/nfs/dbraw/zinc/44/71/11/540447111.db2.gz	WXOVLRRBDZRWGT-UHFFFAOYSA-N	1	1	352.438	2.171	20	30		FEEDMO
N#Cc1ccccc1N1CCC[N@H+](Cc2cc(=O)n3ccccc3n2)CC1	ZINC000052801155	540490059	/nfs/dbraw/zinc/49/00/59/540490059.db2.gz	GRWJKIZSOFUQCF-UHFFFAOYSA-N	1	1	359.433	2.278	20	30		FEEDMO
Cc1cc(C)n(CC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000053721159	540551700	/nfs/dbraw/zinc/55/17/00/540551700.db2.gz	UESRISTUGBJLSE-UHFFFAOYSA-N	1	1	351.454	2.106	20	30		FEEDMO
Cc1cc(C)n(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000053721159	540551703	/nfs/dbraw/zinc/55/17/03/540551703.db2.gz	UESRISTUGBJLSE-UHFFFAOYSA-N	1	1	351.454	2.106	20	30		FEEDMO
C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(CCc2ccccc2F)C1=O	ZINC000055119258	540629981	/nfs/dbraw/zinc/62/99/81/540629981.db2.gz	WKNABEBNTAMEIQ-IBGZPJMESA-N	1	1	365.408	2.499	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC(=O)N(CCc2ccccc2F)C1=O	ZINC000055119258	540629983	/nfs/dbraw/zinc/62/99/83/540629983.db2.gz	WKNABEBNTAMEIQ-IBGZPJMESA-N	1	1	365.408	2.499	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNS(=O)(=O)N(C)CCC#N	ZINC000056064619	540698861	/nfs/dbraw/zinc/69/88/61/540698861.db2.gz	YEUYABWIZWHSPR-INIZCTEOSA-N	1	1	364.515	2.241	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2cc(C#N)ccc2C)CC1	ZINC000058452957	540843826	/nfs/dbraw/zinc/84/38/26/540843826.db2.gz	IQRSCHPZZCYCKV-UHFFFAOYSA-N	1	1	371.485	2.275	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2cc(C#N)ccc2C)CC1	ZINC000058452957	540843828	/nfs/dbraw/zinc/84/38/28/540843828.db2.gz	IQRSCHPZZCYCKV-UHFFFAOYSA-N	1	1	371.485	2.275	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1	ZINC000541102821	541150862	/nfs/dbraw/zinc/15/08/62/541150862.db2.gz	JGLYQTASTFZASX-UHFFFAOYSA-N	1	1	356.405	2.443	20	30		FEEDMO
N#Cc1ccc(C[N@H+](CCC(=O)NC(N)=O)Cc2cccc(F)c2)cc1	ZINC000064620914	541212803	/nfs/dbraw/zinc/21/28/03/541212803.db2.gz	ZHPXRHZLUFYEAU-UHFFFAOYSA-N	1	1	354.385	2.285	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCCN(c2nccs2)CC1)C1(C#N)CCCCC1	ZINC000064402322	541205346	/nfs/dbraw/zinc/20/53/46/541205346.db2.gz	YCZQLWJVLOCKGN-UHFFFAOYSA-N	1	1	361.515	2.340	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCCN(c2nccs2)CC1)C1(C#N)CCCCC1	ZINC000064402322	541205350	/nfs/dbraw/zinc/20/53/50/541205350.db2.gz	YCZQLWJVLOCKGN-UHFFFAOYSA-N	1	1	361.515	2.340	20	30		FEEDMO
Cc1ccccc1OC[C@@H](O)C[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437840	541318838	/nfs/dbraw/zinc/31/88/38/541318838.db2.gz	GXWXIHIYVZUWRL-IBGZPJMESA-N	1	1	366.465	2.214	20	30		FEEDMO
C[NH+]1CCN(C(=O)CC2CCN(c3snc(Cl)c3C#N)CC2)CC1	ZINC000066860378	541382361	/nfs/dbraw/zinc/38/23/61/541382361.db2.gz	BRZLUROAHMSQIM-UHFFFAOYSA-N	1	1	367.906	2.049	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1	ZINC000067401006	541458036	/nfs/dbraw/zinc/45/80/36/541458036.db2.gz	ROWMRMKDIABODT-QGZVFWFLSA-N	1	1	365.861	2.097	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000067414215	541459809	/nfs/dbraw/zinc/45/98/09/541459809.db2.gz	UHUATPQTAPPJRW-FUHWJXTLSA-N	1	1	356.470	2.170	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1	ZINC000068468285	541596025	/nfs/dbraw/zinc/59/60/25/541596025.db2.gz	IVKHPZNPCNEFKS-GOSISDBHSA-N	1	1	368.481	2.098	20	30		FEEDMO
C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000068846629	541634605	/nfs/dbraw/zinc/63/46/05/541634605.db2.gz	UPSHCFHSFZCELH-PXNSSMCTSA-N	1	1	371.481	2.177	20	30		FEEDMO
C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000068846629	541634606	/nfs/dbraw/zinc/63/46/06/541634606.db2.gz	UPSHCFHSFZCELH-PXNSSMCTSA-N	1	1	371.481	2.177	20	30		FEEDMO
CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[NH+]1CCC2(CNC(=O)C2)CC1	ZINC000072696942	541853799	/nfs/dbraw/zinc/85/37/99/541853799.db2.gz	NSWYFDGCRLBJCV-UNOMPAQXSA-N	1	1	367.493	2.469	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3CCC[N@H+](C(C)C)CC3)cc2C1=O	ZINC000075693974	542199007	/nfs/dbraw/zinc/19/90/07/542199007.db2.gz	UEVJOOVDMLXZNT-UHFFFAOYSA-N	1	1	355.438	2.025	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)o2)c1	ZINC000075739227	542201403	/nfs/dbraw/zinc/20/14/03/542201403.db2.gz	NKHVOKDJUDGQSG-KRWDZBQOSA-N	1	1	367.453	2.152	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)o2)c1	ZINC000075739227	542201408	/nfs/dbraw/zinc/20/14/08/542201408.db2.gz	NKHVOKDJUDGQSG-KRWDZBQOSA-N	1	1	367.453	2.152	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@@H+]3CCCC[C@H]3CN3CCOCC3)o2)c1	ZINC000075968868	542220324	/nfs/dbraw/zinc/22/03/24/542220324.db2.gz	OJQXXEDSFKJJDT-SFHVURJKSA-N	1	1	367.453	2.295	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@H+]3CCCC[C@H]3CN3CCOCC3)o2)c1	ZINC000075968868	542220327	/nfs/dbraw/zinc/22/03/27/542220327.db2.gz	OJQXXEDSFKJJDT-SFHVURJKSA-N	1	1	367.453	2.295	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1	ZINC000077272362	542361088	/nfs/dbraw/zinc/36/10/88/542361088.db2.gz	JIZFMWGSLSTPRF-QGZVFWFLSA-N	1	1	357.454	2.423	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1	ZINC000077272362	542361090	/nfs/dbraw/zinc/36/10/90/542361090.db2.gz	JIZFMWGSLSTPRF-QGZVFWFLSA-N	1	1	357.454	2.423	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000077286417	542361810	/nfs/dbraw/zinc/36/18/10/542361810.db2.gz	CDNCWOKWIKKVIW-QGZVFWFLSA-N	1	1	357.454	2.423	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000077541726	542395206	/nfs/dbraw/zinc/39/52/06/542395206.db2.gz	GWKSKWZNAZMXME-HZSPNIEDSA-N	1	1	360.433	2.118	20	30		FEEDMO
C[C@@H](C#N)OCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1	ZINC000801928614	674155707	/nfs/dbraw/zinc/15/57/07/674155707.db2.gz	FTQHJEVSTLEGRA-AWEZNQCLSA-N	1	1	352.276	2.495	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000081725005	542673851	/nfs/dbraw/zinc/67/38/51/542673851.db2.gz	WCBFNMQIPHRCKZ-VQTJNVASSA-N	1	1	354.498	2.196	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2cccc(OCC#N)c2)[C@H](C)C1	ZINC000089770594	542770383	/nfs/dbraw/zinc/77/03/83/542770383.db2.gz	FTYQMZBEEIRKPQ-XLIONFOSSA-N	1	1	373.497	2.385	20	30		FEEDMO
C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000089928219	542775003	/nfs/dbraw/zinc/77/50/03/542775003.db2.gz	WVPFVHRXBPUAFP-HOCLYGCPSA-N	1	1	368.399	2.266	20	30		FEEDMO
C[C@H](O)[C@@H]1CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000089928217	542775015	/nfs/dbraw/zinc/77/50/15/542775015.db2.gz	WVPFVHRXBPUAFP-GOEBONIOSA-N	1	1	368.399	2.266	20	30		FEEDMO
C=CCNc1ncc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)s1	ZINC000089961337	542777364	/nfs/dbraw/zinc/77/73/64/542777364.db2.gz	ODCPEICPFKIVAI-HOTGVXAUSA-N	1	1	372.494	2.106	20	30		FEEDMO
C=CCNc1ncc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)s1	ZINC000089961337	542777366	/nfs/dbraw/zinc/77/73/66/542777366.db2.gz	ODCPEICPFKIVAI-HOTGVXAUSA-N	1	1	372.494	2.106	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N	ZINC000091229321	542799895	/nfs/dbraw/zinc/79/98/95/542799895.db2.gz	UQQQYTFEZPSXPZ-INIZCTEOSA-N	1	1	374.489	2.045	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)c1	ZINC000091865418	542829016	/nfs/dbraw/zinc/82/90/16/542829016.db2.gz	VWHLJYRPQIAFBJ-IBGZPJMESA-N	1	1	362.433	2.347	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@H+]2CCN3C(=O)NC[C@H]3C2)c1	ZINC000091865418	542829019	/nfs/dbraw/zinc/82/90/19/542829019.db2.gz	VWHLJYRPQIAFBJ-IBGZPJMESA-N	1	1	362.433	2.347	20	30		FEEDMO
C=CC[N@H+](CCc1ccccc1)Cc1cnc(N2CCN(C)CC2)nc1	ZINC000092505678	542867156	/nfs/dbraw/zinc/86/71/56/542867156.db2.gz	UHXHOYBESYTAKZ-UHFFFAOYSA-N	1	1	351.498	2.459	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000092616968	542875594	/nfs/dbraw/zinc/87/55/94/542875594.db2.gz	STLINZYYWLEJFQ-HXUWFJFHSA-N	1	1	354.498	2.343	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](Cc2ccccc2)C2CC2)CC1	ZINC000092616968	542875596	/nfs/dbraw/zinc/87/55/96/542875596.db2.gz	STLINZYYWLEJFQ-HXUWFJFHSA-N	1	1	354.498	2.343	20	30		FEEDMO
CCc1nc(CN2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)no1	ZINC000093283894	542923399	/nfs/dbraw/zinc/92/33/99/542923399.db2.gz	IELWRDAJRFLLOW-UHFFFAOYSA-N	1	1	368.485	2.300	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)NCC[N@H+]1CCc2ccccc2C1	ZINC000097250485	543008831	/nfs/dbraw/zinc/00/88/31/543008831.db2.gz	SRNKRJGBVXBYGD-UHFFFAOYSA-N	1	1	365.433	2.120	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000101911686	543049266	/nfs/dbraw/zinc/04/92/66/543049266.db2.gz	GNODLBMDMCMBOP-KRWDZBQOSA-N	1	1	356.470	2.371	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1	ZINC000103163854	543095675	/nfs/dbraw/zinc/09/56/75/543095675.db2.gz	AHKRMMJRWYPCGK-IBGZPJMESA-N	1	1	369.490	2.401	20	30		FEEDMO
C[N@@H+](CCNC(=O)N1CCN(c2ccccc2C#N)CC1)C1CCCC1	ZINC000104806141	543146143	/nfs/dbraw/zinc/14/61/43/543146143.db2.gz	QJIGAWQUFSMXHL-UHFFFAOYSA-N	1	1	355.486	2.264	20	30		FEEDMO
C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000106863803	543250478	/nfs/dbraw/zinc/25/04/78/543250478.db2.gz	JSQAAWPYZMOLIR-RHSMWYFYSA-N	1	1	368.399	2.408	20	30		FEEDMO
C=CCOc1ccccc1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000107284216	543265912	/nfs/dbraw/zinc/26/59/12/543265912.db2.gz	ZBLKZDUPXHJXQN-SFHVURJKSA-N	1	1	357.498	2.494	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)c2ccc(C#N)cn2)[C@H](c2ccccc2)C1	ZINC000107551385	543272214	/nfs/dbraw/zinc/27/22/14/543272214.db2.gz	WSRIZKJWPBUHMY-FQEVSTJZSA-N	1	1	363.465	2.062	20	30		FEEDMO
CN1CC[N@H+](CCCNC(=O)c2ccc(C#N)cn2)[C@H](c2ccccc2)C1	ZINC000107551385	543272217	/nfs/dbraw/zinc/27/22/17/543272217.db2.gz	WSRIZKJWPBUHMY-FQEVSTJZSA-N	1	1	363.465	2.062	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)c2ccc(C#N)cn2)[C@H](c2ccccc2)C1	ZINC000107551385	543272219	/nfs/dbraw/zinc/27/22/19/543272219.db2.gz	WSRIZKJWPBUHMY-FQEVSTJZSA-N	1	1	363.465	2.062	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000111268362	543390745	/nfs/dbraw/zinc/39/07/45/543390745.db2.gz	JROBUCWOZALUCM-KRWDZBQOSA-N	1	1	356.470	2.008	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC([C@@H](C)O)CC1	ZINC000111288374	543393066	/nfs/dbraw/zinc/39/30/66/543393066.db2.gz	AZPNYIQAWHUYFV-HZPDHXFCSA-N	1	1	359.470	2.423	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2	ZINC000111320359	543395937	/nfs/dbraw/zinc/39/59/37/543395937.db2.gz	NSGNIGWTOJHSQR-PMRDEQMMSA-N	1	1	357.454	2.318	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2	ZINC000111320359	543395939	/nfs/dbraw/zinc/39/59/39/543395939.db2.gz	NSGNIGWTOJHSQR-PMRDEQMMSA-N	1	1	357.454	2.318	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1	ZINC000112699887	543458285	/nfs/dbraw/zinc/45/82/85/543458285.db2.gz	XJVBGCPLCABMHC-MRXNPFEDSA-N	1	1	356.470	2.371	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1	ZINC000112699887	543458287	/nfs/dbraw/zinc/45/82/87/543458287.db2.gz	XJVBGCPLCABMHC-MRXNPFEDSA-N	1	1	356.470	2.371	20	30		FEEDMO
C=CC[NH+](CC=C)CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1	ZINC000114723841	543532567	/nfs/dbraw/zinc/53/25/67/543532567.db2.gz	JIDFAECMUONVNS-UHFFFAOYSA-N	1	1	355.482	2.390	20	30		FEEDMO
CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1	ZINC000115596992	543576715	/nfs/dbraw/zinc/57/67/15/543576715.db2.gz	OMOUCNPDJGADAV-GOSISDBHSA-N	1	1	365.437	2.404	20	30		FEEDMO
COc1nc(N2CC[NH+](CCC(C)(C)C#N)CC2)ncc1Br	ZINC000119965070	543673959	/nfs/dbraw/zinc/67/39/59/543673959.db2.gz	UQKZHNPLDJOZKX-UHFFFAOYSA-N	1	1	368.279	2.310	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)CC1	ZINC000125227854	543868606	/nfs/dbraw/zinc/86/86/06/543868606.db2.gz	MQLKRURWSMDSRY-OAHLLOKOSA-N	1	1	357.454	2.180	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)CC1	ZINC000125227854	543868610	/nfs/dbraw/zinc/86/86/10/543868610.db2.gz	MQLKRURWSMDSRY-OAHLLOKOSA-N	1	1	357.454	2.180	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1	ZINC000125564758	543889224	/nfs/dbraw/zinc/88/92/24/543889224.db2.gz	HLNQKGGPVYJBHT-CJNGLKHVSA-N	1	1	360.845	2.141	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1	ZINC000125564758	543889227	/nfs/dbraw/zinc/88/92/27/543889227.db2.gz	HLNQKGGPVYJBHT-CJNGLKHVSA-N	1	1	360.845	2.141	20	30		FEEDMO
C[NH+]1CCN([C@H]2CCCCN(C(=O)Nc3ccc(F)c(C#N)c3)C2)CC1	ZINC000126281144	543927773	/nfs/dbraw/zinc/92/77/73/543927773.db2.gz	GLSMIXRLZZQBIB-KRWDZBQOSA-N	1	1	359.449	2.331	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000126430923	543935132	/nfs/dbraw/zinc/93/51/32/543935132.db2.gz	VMTFVTDKUSDWLX-SJLPKXTDSA-N	1	1	369.465	2.421	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cnn4c3CCCC4)CC2)cc1	ZINC000126872645	543961106	/nfs/dbraw/zinc/96/11/06/543961106.db2.gz	PMQIOMLIIUYWHC-UHFFFAOYSA-N	1	1	363.465	2.439	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnn4c3CCCC4)CC2)cc1	ZINC000126872645	543961109	/nfs/dbraw/zinc/96/11/09/543961109.db2.gz	PMQIOMLIIUYWHC-UHFFFAOYSA-N	1	1	363.465	2.439	20	30		FEEDMO
N#Cc1ccc([C@H](O)C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1	ZINC000127451259	543994156	/nfs/dbraw/zinc/99/41/56/543994156.db2.gz	LJNXCDSBVSMXRB-GOSISDBHSA-N	1	1	367.453	2.060	20	30		FEEDMO
CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)c1	ZINC000128797395	544073951	/nfs/dbraw/zinc/07/39/51/544073951.db2.gz	IBIFDNOUILNOBU-UHFFFAOYSA-N	1	1	368.412	2.404	20	30		FEEDMO
Cc1cc(C)n2c(C[N@@H+]3CCCN(c4ncccc4C#N)CC3)cnc2n1	ZINC000129666993	544122830	/nfs/dbraw/zinc/12/28/30/544122830.db2.gz	IQIUNAIQFWIVPQ-UHFFFAOYSA-N	1	1	361.453	2.325	20	30		FEEDMO
Cc1cc(C)n2c(C[N@H+]3CCCN(c4ncccc4C#N)CC3)cnc2n1	ZINC000129666993	544122833	/nfs/dbraw/zinc/12/28/33/544122833.db2.gz	IQIUNAIQFWIVPQ-UHFFFAOYSA-N	1	1	361.453	2.325	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000130555238	544155419	/nfs/dbraw/zinc/15/54/19/544155419.db2.gz	WKUAPEDIPKSNLI-UHFFFAOYSA-N	1	1	359.817	2.204	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OC[C@H]2CCOC2)CC1	ZINC000131968607	544213609	/nfs/dbraw/zinc/21/36/09/544213609.db2.gz	JKTKCCLBSKUEBP-SJORKVTESA-N	1	1	363.502	2.235	20	30		FEEDMO
N#CCCN(Cc1cccnc1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000132089509	544218818	/nfs/dbraw/zinc/21/88/18/544218818.db2.gz	IQNUCXFJJRYDAK-FQEVSTJZSA-N	1	1	364.449	2.225	20	30		FEEDMO
N#CCCN(Cc1cccnc1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000132089509	544218821	/nfs/dbraw/zinc/21/88/21/544218821.db2.gz	IQNUCXFJJRYDAK-FQEVSTJZSA-N	1	1	364.449	2.225	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2c[nH]c3ccccc23)CC1	ZINC000144099340	544426697	/nfs/dbraw/zinc/42/66/97/544426697.db2.gz	AWPPSSVKYLMKML-OAHLLOKOSA-N	1	1	354.454	2.007	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2c[nH]c3ccccc23)CC1	ZINC000144099340	544426698	/nfs/dbraw/zinc/42/66/98/544426698.db2.gz	AWPPSSVKYLMKML-OAHLLOKOSA-N	1	1	354.454	2.007	20	30		FEEDMO
C[N@@H+](CCCNS(=O)(=O)c1ccc(C#N)cc1F)Cc1ccccc1	ZINC000151029480	544497684	/nfs/dbraw/zinc/49/76/84/544497684.db2.gz	XPXSWFHCVXYYFH-UHFFFAOYSA-N	1	1	361.442	2.498	20	30		FEEDMO
N#Cc1ccc([C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)C(N)=O)cc1	ZINC000151052656	544500531	/nfs/dbraw/zinc/50/05/31/544500531.db2.gz	MYAGZKOLGYOYPZ-OAHLLOKOSA-N	1	1	364.327	2.167	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000151620864	544562641	/nfs/dbraw/zinc/56/26/41/544562641.db2.gz	TUTXRCGCBUGLBJ-MRXNPFEDSA-N	1	1	366.387	2.320	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1	ZINC000151867221	544590423	/nfs/dbraw/zinc/59/04/23/544590423.db2.gz	FQVRITARQINFCX-AOIWGVFYSA-N	1	1	356.422	2.479	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1	ZINC000152069084	544610648	/nfs/dbraw/zinc/61/06/48/544610648.db2.gz	FFEIPAHLSBHBGO-MRXNPFEDSA-N	1	1	356.470	2.467	20	30		FEEDMO
CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000153295341	544757502	/nfs/dbraw/zinc/75/75/02/544757502.db2.gz	FVCQTBBDTYOISC-CQSZACIVSA-N	1	1	368.485	2.168	20	30		FEEDMO
CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153326998	544762013	/nfs/dbraw/zinc/76/20/13/544762013.db2.gz	IXJMLGXQTZQPRA-ZDUSSCGKSA-N	1	1	370.457	2.154	20	30		FEEDMO
CNC(=O)CCC[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N	ZINC000155012302	544976713	/nfs/dbraw/zinc/97/67/13/544976713.db2.gz	TVSHRNISUHWUAC-CQSZACIVSA-N	1	1	362.499	2.335	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1	ZINC000155205763	545001100	/nfs/dbraw/zinc/00/11/00/545001100.db2.gz	KEZCUGZZAAAZCB-PMACEKPBSA-N	1	1	371.481	2.061	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1	ZINC000155205763	545001103	/nfs/dbraw/zinc/00/11/03/545001103.db2.gz	KEZCUGZZAAAZCB-PMACEKPBSA-N	1	1	371.481	2.061	20	30		FEEDMO
C=CCN(C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)C	ZINC000803221390	674229110	/nfs/dbraw/zinc/22/91/10/674229110.db2.gz	YBMPUEDNBXOEAU-MRXNPFEDSA-N	1	1	363.527	2.499	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C(N)=O)C1	ZINC000187409222	328023517	/nfs/dbraw/zinc/02/35/17/328023517.db2.gz	AILITEJTJFVCRL-RISCZKNCSA-N	1	1	360.483	2.023	20	30		FEEDMO
C[C@H]1CC[C@](CO)([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000188023098	328061026	/nfs/dbraw/zinc/06/10/26/328061026.db2.gz	NAHMAXNGTOYWPT-YWZLYKJASA-N	1	1	367.453	2.165	20	30		FEEDMO
CCOCCOCC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000190250023	328196879	/nfs/dbraw/zinc/19/68/79/328196879.db2.gz	QBPXIXNZUDQGDG-ZDUSSCGKSA-N	1	1	365.499	2.420	20	30		FEEDMO
CCOCCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000190250023	328196881	/nfs/dbraw/zinc/19/68/81/328196881.db2.gz	QBPXIXNZUDQGDG-ZDUSSCGKSA-N	1	1	365.499	2.420	20	30		FEEDMO
CCc1n[nH]c(C2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000190677319	328224223	/nfs/dbraw/zinc/22/42/23/328224223.db2.gz	XCOGGGBLEVUIST-ZDUSSCGKSA-N	1	1	352.442	2.445	20	30		FEEDMO
N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1	ZINC000191794900	328282316	/nfs/dbraw/zinc/28/23/16/328282316.db2.gz	SRAVVGHJQYQLCC-OAHLLOKOSA-N	1	1	364.287	2.475	20	30		FEEDMO
N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1	ZINC000191794900	328282318	/nfs/dbraw/zinc/28/23/18/328282318.db2.gz	SRAVVGHJQYQLCC-OAHLLOKOSA-N	1	1	364.287	2.475	20	30		FEEDMO
COc1cccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1OC	ZINC000192245425	328308681	/nfs/dbraw/zinc/30/86/81/328308681.db2.gz	XDQFSUDPVVWAFW-SFHVURJKSA-N	1	1	365.433	2.466	20	30		FEEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000193163341	328360702	/nfs/dbraw/zinc/36/07/02/328360702.db2.gz	SSVYHPWLJWCETD-INIZCTEOSA-N	1	1	373.501	2.386	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cc1	ZINC000194280058	328417960	/nfs/dbraw/zinc/41/79/60/328417960.db2.gz	XNAZFAUUQNIZAD-UHFFFAOYSA-N	1	1	354.454	2.221	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000081289769	325167552	/nfs/dbraw/zinc/16/75/52/325167552.db2.gz	VEPYDNIFAJOGBG-QGZVFWFLSA-N	1	1	370.497	2.177	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccco1	ZINC000088767187	325300194	/nfs/dbraw/zinc/30/01/94/325300194.db2.gz	JQPDLHZRUVLZBV-AWEZNQCLSA-N	1	1	360.801	2.162	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCCC[C@@H]1C	ZINC000120152257	326235366	/nfs/dbraw/zinc/23/53/66/326235366.db2.gz	PJPVJNOTSNERMA-YJBOKZPZSA-N	1	1	373.501	2.404	20	30		FEEDMO
CCC[C@@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CC[N@H+]1CCOC	ZINC000121646048	326354365	/nfs/dbraw/zinc/35/43/65/326354365.db2.gz	UZNGSOXYWKSABY-MRXNPFEDSA-N	1	1	362.474	2.139	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(S(=O)(=O)c3cc(C#N)ccc3C)CC2)c1	ZINC000123365490	326429220	/nfs/dbraw/zinc/42/92/20/326429220.db2.gz	IQJRCBJDKGJYBZ-UHFFFAOYSA-N	1	1	356.451	2.081	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1	ZINC000160036249	326951204	/nfs/dbraw/zinc/95/12/04/326951204.db2.gz	JRULSGOQSXJQIW-SFHVURJKSA-N	1	1	361.442	2.420	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1	ZINC000160036373	326951211	/nfs/dbraw/zinc/95/12/11/326951211.db2.gz	JRULSGOQSXJQIW-GOSISDBHSA-N	1	1	361.442	2.420	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000161708526	327007229	/nfs/dbraw/zinc/00/72/29/327007229.db2.gz	AYJZLMMBZGTNTA-IYBDPMFKSA-N	1	1	359.470	2.331	20	30		FEEDMO
Cc1ccnc(N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)c1	ZINC000164044877	327063695	/nfs/dbraw/zinc/06/36/95/327063695.db2.gz	UMQAJZKRPDRUPM-UHFFFAOYSA-N	1	1	355.467	2.474	20	30		FEEDMO
Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(C#N)cc3)CC2)[nH+]c1	ZINC000173209824	327241332	/nfs/dbraw/zinc/24/13/32/327241332.db2.gz	SSPKKTCCYRAWIV-UHFFFAOYSA-N	1	1	356.451	2.209	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@H](CO)C2)c1C#N	ZINC000174703709	327344384	/nfs/dbraw/zinc/34/43/84/327344384.db2.gz	BBFYXUGEBYVUFO-OAHLLOKOSA-N	1	1	370.428	2.358	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@@H](CO)C2)c1C#N	ZINC000174703709	327344386	/nfs/dbraw/zinc/34/43/86/327344386.db2.gz	BBFYXUGEBYVUFO-OAHLLOKOSA-N	1	1	370.428	2.358	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](CC(N)=O)C1)CCC2	ZINC000175251976	327382688	/nfs/dbraw/zinc/38/26/88/327382688.db2.gz	KFVINAVHDBIDRM-GFCCVEGCSA-N	1	1	360.483	2.024	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)COc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000265293469	329111595	/nfs/dbraw/zinc/11/15/95/329111595.db2.gz	QJKXXGJCCUDWOT-LPHOPBHVSA-N	1	1	359.470	2.190	20	30		FEEDMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)c1nccc(C#N)c1[N+](=O)[O-]	ZINC000268458634	329422094	/nfs/dbraw/zinc/42/20/94/329422094.db2.gz	HEOJMZNQKHUIHY-UHFFFAOYSA-N	1	1	366.425	2.120	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000271161213	329668343	/nfs/dbraw/zinc/66/83/43/329668343.db2.gz	QCCCYOWVPKYBKT-INIZCTEOSA-N	1	1	357.458	2.085	20	30		FEEDMO
COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1	ZINC000272206098	329759787	/nfs/dbraw/zinc/75/97/87/329759787.db2.gz	NIZIOIKDYTWGAU-MRXNPFEDSA-N	1	1	353.378	2.223	20	30		FEEDMO
N#Cc1ccc(OCCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1	ZINC000361448582	330204158	/nfs/dbraw/zinc/20/41/58/330204158.db2.gz	BAITVGLYNVHFDX-UHOSZYNNSA-N	1	1	354.454	2.063	20	30		FEEDMO
C[N@H+](CC(=O)Nc1cccc(C#N)c1)C1CCN(Cc2ccncc2)CC1	ZINC000367117790	330219217	/nfs/dbraw/zinc/21/92/17/330219217.db2.gz	SXZUEKDXCHKURW-UHFFFAOYSA-N	1	1	363.465	2.488	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CCN(Cc2ccncc2)CC1	ZINC000367117790	330219218	/nfs/dbraw/zinc/21/92/18/330219218.db2.gz	SXZUEKDXCHKURW-UHFFFAOYSA-N	1	1	363.465	2.488	20	30		FEEDMO
C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)C2(CCCCC2)C1	ZINC000155472423	545531026	/nfs/dbraw/zinc/53/10/26/545531026.db2.gz	CBNLEOUYXWDHIG-UHFFFAOYSA-N	1	1	351.447	2.336	20	30		FEEDMO
C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)C2(CCCCC2)C1	ZINC000155472423	545531030	/nfs/dbraw/zinc/53/10/30/545531030.db2.gz	CBNLEOUYXWDHIG-UHFFFAOYSA-N	1	1	351.447	2.336	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1	ZINC000155713165	545561330	/nfs/dbraw/zinc/56/13/30/545561330.db2.gz	UMXPHUANEUNNEI-AWEZNQCLSA-N	1	1	352.398	2.010	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1	ZINC000155713165	545561333	/nfs/dbraw/zinc/56/13/33/545561333.db2.gz	UMXPHUANEUNNEI-AWEZNQCLSA-N	1	1	352.398	2.010	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000155929190	545584513	/nfs/dbraw/zinc/58/45/13/545584513.db2.gz	KGTIUXUXCYPVMX-ACJLOTCBSA-N	1	1	370.428	2.111	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1F	ZINC000156023399	545592482	/nfs/dbraw/zinc/59/24/82/545592482.db2.gz	LLQSVBKGZQDVOD-FZKQIMNGSA-N	1	1	370.428	2.111	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCOc1cccc(C#N)c1	ZINC000156699352	545649963	/nfs/dbraw/zinc/64/99/63/545649963.db2.gz	GWPWLALZHFLHDX-INIZCTEOSA-N	1	1	362.437	2.200	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCOc1cccc(C#N)c1	ZINC000156699352	545649968	/nfs/dbraw/zinc/64/99/68/545649968.db2.gz	GWPWLALZHFLHDX-INIZCTEOSA-N	1	1	362.437	2.200	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1	ZINC000157068560	545695889	/nfs/dbraw/zinc/69/58/89/545695889.db2.gz	ASXOQKRVXVOMGA-CQSZACIVSA-N	1	1	365.861	2.443	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1	ZINC000157068560	545695891	/nfs/dbraw/zinc/69/58/91/545695891.db2.gz	ASXOQKRVXVOMGA-CQSZACIVSA-N	1	1	365.861	2.443	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000158560161	545872248	/nfs/dbraw/zinc/87/22/48/545872248.db2.gz	VIJKUOHRTJFMRV-GFCCVEGCSA-N	1	1	369.437	2.474	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](CCC(=O)Nc3cccnc3)CC2)c(F)c1	ZINC000478458312	561167499	/nfs/dbraw/zinc/16/74/99/561167499.db2.gz	FELSOXZGNSDUCE-UHFFFAOYSA-N	1	1	353.401	2.243	20	30		FEEDMO
CCC[C@H]1CN(C(=O)NCc2ccc(C#N)cc2F)CC[N@H+]1CCOC	ZINC000161752600	546134542	/nfs/dbraw/zinc/13/45/42/546134542.db2.gz	HNFXODZRONNJSP-KRWDZBQOSA-N	1	1	362.449	2.340	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)NCC(C)(C)C#N)cc2)CC1	ZINC000479384620	561188672	/nfs/dbraw/zinc/18/86/72/561188672.db2.gz	YKSZDKARURHMOO-UHFFFAOYSA-N	1	1	357.502	2.173	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](OCCO)C2)c1C	ZINC000172293844	546244802	/nfs/dbraw/zinc/24/48/02/546244802.db2.gz	GHKDEJSAFGNPBM-SFHVURJKSA-N	1	1	359.470	2.023	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](OCCO)C2)c1C	ZINC000172293844	546244803	/nfs/dbraw/zinc/24/48/03/546244803.db2.gz	GHKDEJSAFGNPBM-SFHVURJKSA-N	1	1	359.470	2.023	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](OCCO)C2)cc1	ZINC000172301910	546245568	/nfs/dbraw/zinc/24/55/68/546245568.db2.gz	QNCFLVJOLUIGNC-MJGOQNOKSA-N	1	1	359.470	2.104	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](OCCO)C2)cc1	ZINC000172301910	546245571	/nfs/dbraw/zinc/24/55/71/546245571.db2.gz	QNCFLVJOLUIGNC-MJGOQNOKSA-N	1	1	359.470	2.104	20	30		FEEDMO
Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ccn(CCC#N)n2)CC1	ZINC000173339701	546277689	/nfs/dbraw/zinc/27/76/89/546277689.db2.gz	NXBYQXRVMRCBBJ-UHFFFAOYSA-N	1	1	352.442	2.455	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H](C)C1	ZINC000173370279	546279465	/nfs/dbraw/zinc/27/94/65/546279465.db2.gz	XEONCBTXNDPEIC-HZPDHXFCSA-N	1	1	362.478	2.055	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000174244075	546294198	/nfs/dbraw/zinc/29/41/98/546294198.db2.gz	KEGYVDMLFGEZRY-AWEZNQCLSA-N	1	1	360.414	2.199	20	30		FEEDMO
C=CCNC(=O)NC(=O)CN(CCC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000479688801	561195063	/nfs/dbraw/zinc/19/50/63/561195063.db2.gz	JIRUJQHDWIFWRA-LJQANCHMSA-N	1	1	372.513	2.375	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](CCC)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000479688801	561195064	/nfs/dbraw/zinc/19/50/64/561195064.db2.gz	JIRUJQHDWIFWRA-LJQANCHMSA-N	1	1	372.513	2.375	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](CCC)[C@@H]1CCCN(Cc2ccccc2)C1	ZINC000479688801	561195065	/nfs/dbraw/zinc/19/50/65/561195065.db2.gz	JIRUJQHDWIFWRA-LJQANCHMSA-N	1	1	372.513	2.375	20	30		FEEDMO
CNC(=O)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000175013780	546305941	/nfs/dbraw/zinc/30/59/41/546305941.db2.gz	FRGHPKZLPJJURC-INIZCTEOSA-N	1	1	356.470	2.170	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CCN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	ZINC000176889947	546501992	/nfs/dbraw/zinc/50/19/92/546501992.db2.gz	QVRIBRWHKKNPNO-NSHGMRRFSA-N	1	1	373.522	2.138	20	30		FEEDMO
CC(C)OCCN1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000177491694	546630562	/nfs/dbraw/zinc/63/05/62/546630562.db2.gz	GUXZKQSGVKLJKN-INIZCTEOSA-N	1	1	358.486	2.364	20	30		FEEDMO
C=CCN(CC=C)C(=O)CN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000177506391	546632895	/nfs/dbraw/zinc/63/28/95/546632895.db2.gz	GKOXQIRTWJXSHA-KDURUIRLSA-N	1	1	363.546	2.398	20	30		FEEDMO
C=CCN(CC=C)C(=O)CN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000177506391	546632898	/nfs/dbraw/zinc/63/28/98/546632898.db2.gz	GKOXQIRTWJXSHA-KDURUIRLSA-N	1	1	363.546	2.398	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000481015596	561222791	/nfs/dbraw/zinc/22/27/91/561222791.db2.gz	RPJBYVGFQQOWHV-MRXNPFEDSA-N	1	1	353.463	2.381	20	30		FEEDMO
C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1	ZINC000177683245	546666020	/nfs/dbraw/zinc/66/60/20/546666020.db2.gz	OCBAGQFFTXADJQ-QGZVFWFLSA-N	1	1	353.466	2.377	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1	ZINC000481066212	561224445	/nfs/dbraw/zinc/22/44/45/561224445.db2.gz	AVFVVWDLGXUCDP-KRWDZBQOSA-N	1	1	365.474	2.381	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000178043964	546729668	/nfs/dbraw/zinc/72/96/68/546729668.db2.gz	BOGIDBOFHJCSSU-SFHVURJKSA-N	1	1	355.482	2.329	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1	ZINC000178486688	546801833	/nfs/dbraw/zinc/80/18/33/546801833.db2.gz	YVTGYYWYTHJLBC-UHFFFAOYSA-N	1	1	354.454	2.282	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1	ZINC000481617590	561237411	/nfs/dbraw/zinc/23/74/11/561237411.db2.gz	VCPQDOLUSDPLDI-IBGZPJMESA-N	1	1	361.461	2.250	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000481829286	561243488	/nfs/dbraw/zinc/24/34/88/561243488.db2.gz	JCWAPORYRUBXNH-MOPGFXCFSA-N	1	1	371.525	2.480	20	30		FEEDMO
Cn1cc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c(-c2ccc(C#N)cc2)n1	ZINC000179950813	547032274	/nfs/dbraw/zinc/03/22/74/547032274.db2.gz	DUGDYAITBCEXOU-FQEVSTJZSA-N	1	1	365.481	2.255	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	ZINC000180017140	547039601	/nfs/dbraw/zinc/03/96/01/547039601.db2.gz	NTGPRPDGHJDUNY-SJORKVTESA-N	1	1	373.501	2.373	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000180920796	547209942	/nfs/dbraw/zinc/20/99/42/547209942.db2.gz	SERGECLUDLUWMH-KRWDZBQOSA-N	1	1	373.497	2.361	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c1C	ZINC000483294078	561273258	/nfs/dbraw/zinc/27/32/58/561273258.db2.gz	HPZFSINDODAYSV-HKUYNNGSSA-N	1	1	359.470	2.022	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCO)[C@H]2CCO[C@H]2C)c1C	ZINC000483294078	561273259	/nfs/dbraw/zinc/27/32/59/561273259.db2.gz	HPZFSINDODAYSV-HKUYNNGSSA-N	1	1	359.470	2.022	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCCC(=O)OC(C)(C)C	ZINC000181995779	547419845	/nfs/dbraw/zinc/41/98/45/547419845.db2.gz	OIIHCNGGLNWLIT-HNNXBMFYSA-N	1	1	359.474	2.371	20	30		FEEDMO
CN(C(=O)c1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1)[C@H]1CCC[N@@H+](C)C1	ZINC000182162200	547446197	/nfs/dbraw/zinc/44/61/97/547446197.db2.gz	WYHABFHLYRHLDG-SFHVURJKSA-N	1	1	365.437	2.305	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCCC1	ZINC000182668922	547530142	/nfs/dbraw/zinc/53/01/42/547530142.db2.gz	VGZGDXYTNNMCEJ-IBGZPJMESA-N	1	1	358.461	2.409	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](C4OCCO4)C3)C2=O)cc1	ZINC000182742717	547545342	/nfs/dbraw/zinc/54/53/42/547545342.db2.gz	USZUPTUWCNGAQH-WMZOPIPTSA-N	1	1	355.438	2.139	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000182925314	547573365	/nfs/dbraw/zinc/57/33/65/547573365.db2.gz	XIRKPYFFIJUZCK-HKUYNNGSSA-N	1	1	364.453	2.057	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC([N@@H+](C)CCCO)CC1	ZINC000184327618	547808297	/nfs/dbraw/zinc/80/82/97/547808297.db2.gz	BECPGENIXUGQCS-HNNXBMFYSA-N	1	1	360.458	2.288	20	30		FEEDMO
CC(C)[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+]1CCOCC1	ZINC000184360601	547813190	/nfs/dbraw/zinc/81/31/90/547813190.db2.gz	AYLRKRHJTKIQIX-RDJZCZTQSA-N	1	1	360.458	2.456	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000185239021	547957329	/nfs/dbraw/zinc/95/73/29/547957329.db2.gz	QEFZWHWGCDJFPU-UHFFFAOYSA-N	1	1	361.389	2.292	20	30		FEEDMO
CC(C)C[C@@H](CO)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000185350220	547974275	/nfs/dbraw/zinc/97/42/75/547974275.db2.gz	DTGSICFSFGNVFC-KRWDZBQOSA-N	1	1	355.442	2.021	20	30		FEEDMO
CCC[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000185879747	548050050	/nfs/dbraw/zinc/05/00/50/548050050.db2.gz	TZGAIXLNZWBTER-INIZCTEOSA-N	1	1	359.474	2.158	20	30		FEEDMO
CCC[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000185879730	548050656	/nfs/dbraw/zinc/05/06/56/548050656.db2.gz	TZGAIXLNZWBTER-MRXNPFEDSA-N	1	1	359.474	2.158	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+](CCO)CC2CCCCC2)c1	ZINC000485879495	561330850	/nfs/dbraw/zinc/33/08/50/561330850.db2.gz	AUNCHVKVINWBDL-UHFFFAOYSA-N	1	1	350.484	2.207	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+](CCO)CC2CCCCC2)c1	ZINC000485879495	561330851	/nfs/dbraw/zinc/33/08/51/561330851.db2.gz	AUNCHVKVINWBDL-UHFFFAOYSA-N	1	1	350.484	2.207	20	30		FEEDMO
C=CCSCCNC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000186631733	548162053	/nfs/dbraw/zinc/16/20/53/548162053.db2.gz	CPNRAZNAZWVTRN-LJQANCHMSA-N	1	1	363.527	2.184	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCSC2(CCOCC2)C1	ZINC000186818756	548200547	/nfs/dbraw/zinc/20/05/47/548200547.db2.gz	AOWZYBDFBOZDFU-OAHLLOKOSA-N	1	1	351.516	2.316	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CSCc1ccc(C#N)cc1	ZINC000186892726	548214127	/nfs/dbraw/zinc/21/41/27/548214127.db2.gz	BFVQRVKETVVGDG-HNNXBMFYSA-N	1	1	361.511	2.095	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C	ZINC000188703766	548285788	/nfs/dbraw/zinc/28/57/88/548285788.db2.gz	AOYDOEFNECUWEL-INIZCTEOSA-N	1	1	361.486	2.238	20	30		FEEDMO
COCCO[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1	ZINC000189650876	548308049	/nfs/dbraw/zinc/30/80/49/548308049.db2.gz	CLJDZGFBFPCGNC-IBGZPJMESA-N	1	1	359.470	2.287	20	30		FEEDMO
COCCO[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1	ZINC000189650876	548308053	/nfs/dbraw/zinc/30/80/53/548308053.db2.gz	CLJDZGFBFPCGNC-IBGZPJMESA-N	1	1	359.470	2.287	20	30		FEEDMO
C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)N(C)CCC#N	ZINC000189948256	548314403	/nfs/dbraw/zinc/31/44/03/548314403.db2.gz	NBRNFQIJMFRVKR-HTZLVSCSSA-N	1	1	356.514	2.495	20	30		FEEDMO
Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)cn2)C1	ZINC000190563174	548328857	/nfs/dbraw/zinc/32/88/57/548328857.db2.gz	NNHFAZOZSCWYMJ-HNNXBMFYSA-N	1	1	355.467	2.312	20	30		FEEDMO
CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CC#Cc2ccccc2)CC1	ZINC000192023595	548355841	/nfs/dbraw/zinc/35/58/41/548355841.db2.gz	GERLXRUJQHUZDZ-UHFFFAOYSA-N	1	1	374.428	2.326	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1	ZINC000194017064	548422613	/nfs/dbraw/zinc/42/26/13/548422613.db2.gz	JQRDZHZCXQLXCD-KRWDZBQOSA-N	1	1	372.513	2.408	20	30		FEEDMO
CN(C)c1noc([C@@H]2CCC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)n1	ZINC000194936461	548553765	/nfs/dbraw/zinc/55/37/65/548553765.db2.gz	XSOALPIKMITVCY-CQSZACIVSA-N	1	1	351.414	2.035	20	30		FEEDMO
CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)n1	ZINC000194936461	548553770	/nfs/dbraw/zinc/55/37/70/548553770.db2.gz	XSOALPIKMITVCY-CQSZACIVSA-N	1	1	351.414	2.035	20	30		FEEDMO
C[C@H](CNC(=O)N1CCC(C#N)CC1)[NH+]1CCN(c2ccccc2)CC1	ZINC000195326431	548624156	/nfs/dbraw/zinc/62/41/56/548624156.db2.gz	ILWDYMGSFOJZAT-QGZVFWFLSA-N	1	1	355.486	2.142	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000245435894	548918631	/nfs/dbraw/zinc/91/86/31/548918631.db2.gz	QROYNVYTOCAAFN-IAGOWNOFSA-N	1	1	363.483	2.174	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000245446610	548924321	/nfs/dbraw/zinc/92/43/21/548924321.db2.gz	ZYXPRTJJBOLAFH-MAUKXSAKSA-N	1	1	366.483	2.233	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000245446610	548924323	/nfs/dbraw/zinc/92/43/23/548924323.db2.gz	ZYXPRTJJBOLAFH-MAUKXSAKSA-N	1	1	366.483	2.233	20	30		FEEDMO
C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1ccccc1	ZINC000245624426	548960656	/nfs/dbraw/zinc/96/06/56/548960656.db2.gz	GBOYOCNYLHFLBM-QZTJIDSGSA-N	1	1	366.396	2.197	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000488209896	561386143	/nfs/dbraw/zinc/38/61/43/561386143.db2.gz	OJFBSZBJYWGDQT-AOIWGVFYSA-N	1	1	357.498	2.484	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2c2cccn2C)CC1	ZINC000246019422	549037859	/nfs/dbraw/zinc/03/78/59/549037859.db2.gz	LFGJPQQLZKCCGV-PMACEKPBSA-N	1	1	371.529	2.244	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2c2cccn2C)CC1	ZINC000246019422	549037861	/nfs/dbraw/zinc/03/78/61/549037861.db2.gz	LFGJPQQLZKCCGV-PMACEKPBSA-N	1	1	371.529	2.244	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)NCCCCC#N)[C@@H](c2ccccc2)C1	ZINC000246197586	549075001	/nfs/dbraw/zinc/07/50/01/549075001.db2.gz	XHBSHPIUZJVCGA-LJQANCHMSA-N	1	1	357.502	2.358	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)NCCCCC#N)[C@@H](c2ccccc2)C1	ZINC000246197586	549075005	/nfs/dbraw/zinc/07/50/05/549075005.db2.gz	XHBSHPIUZJVCGA-LJQANCHMSA-N	1	1	357.502	2.358	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)NCCCCC#N)[C@@H](c2ccccc2)C1	ZINC000246197586	549075008	/nfs/dbraw/zinc/07/50/08/549075008.db2.gz	XHBSHPIUZJVCGA-LJQANCHMSA-N	1	1	357.502	2.358	20	30		FEEDMO
CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[N@@H+]1C	ZINC000488593641	561392424	/nfs/dbraw/zinc/39/24/24/561392424.db2.gz	GNJRMYLOJLDMLK-INIZCTEOSA-N	1	1	374.510	2.429	20	30		FEEDMO
CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[N@H+]1C	ZINC000488593641	561392425	/nfs/dbraw/zinc/39/24/25/561392425.db2.gz	GNJRMYLOJLDMLK-INIZCTEOSA-N	1	1	374.510	2.429	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1	ZINC000246363450	549114979	/nfs/dbraw/zinc/11/49/79/549114979.db2.gz	LBLTZYWNBLPHMY-NQIIRXRSSA-N	1	1	352.434	2.280	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000488607140	561392928	/nfs/dbraw/zinc/39/29/28/561392928.db2.gz	HVQXLXNIUDVLIF-QGZVFWFLSA-N	1	1	372.469	2.083	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1	ZINC000488607140	561392929	/nfs/dbraw/zinc/39/29/29/561392929.db2.gz	HVQXLXNIUDVLIF-QGZVFWFLSA-N	1	1	372.469	2.083	20	30		FEEDMO
CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[N@@H+]1C	ZINC000488640666	561393737	/nfs/dbraw/zinc/39/37/37/561393737.db2.gz	IORJOXYJOQDPHR-SFHVURJKSA-N	1	1	372.469	2.106	20	30		FEEDMO
CC(C)[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[N@H+]1C	ZINC000488640666	561393738	/nfs/dbraw/zinc/39/37/38/561393738.db2.gz	IORJOXYJOQDPHR-SFHVURJKSA-N	1	1	372.469	2.106	20	30		FEEDMO
C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000488824686	561397792	/nfs/dbraw/zinc/39/77/92/561397792.db2.gz	ZKRVRUBFWVDDKQ-RBUKOAKNSA-N	1	1	353.466	2.287	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@@H]4CCCC[C@H]43)CC2)o1	ZINC000248449497	549439785	/nfs/dbraw/zinc/43/97/85/549439785.db2.gz	XREVEUCDHSULFN-QILLFSRXSA-N	1	1	371.485	2.014	20	30		FEEDMO
COCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCO[C@@H]1C	ZINC000489397507	561409914	/nfs/dbraw/zinc/40/99/14/561409914.db2.gz	FCZASOWVSVLNFJ-MLGOLLRUSA-N	1	1	351.834	2.276	20	30		FEEDMO
COCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCO[C@@H]1C	ZINC000489397507	561409915	/nfs/dbraw/zinc/40/99/15/561409915.db2.gz	FCZASOWVSVLNFJ-MLGOLLRUSA-N	1	1	351.834	2.276	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000248633973	549472453	/nfs/dbraw/zinc/47/24/53/549472453.db2.gz	SLVIATURDDFWHL-ZWKOTPCHSA-N	1	1	360.454	2.352	20	30		FEEDMO
CC(C)OC(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000248633967	549472575	/nfs/dbraw/zinc/47/25/75/549472575.db2.gz	SLVIATURDDFWHL-QZTJIDSGSA-N	1	1	360.454	2.352	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489636319	561416094	/nfs/dbraw/zinc/41/60/94/561416094.db2.gz	RTHJEUXEYPSOMJ-LIRRHRJNSA-N	1	1	373.453	2.496	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1	ZINC000249259430	549573536	/nfs/dbraw/zinc/57/35/36/549573536.db2.gz	GUDHYZXJZMXRBQ-GJZGRUSLSA-N	1	1	356.388	2.324	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1CC[N@H+](C[C@H](C)O)C[C@H]1C	ZINC000249517368	549599443	/nfs/dbraw/zinc/59/94/43/549599443.db2.gz	RZKDRKCHTKICQT-CVEARBPZSA-N	1	1	363.527	2.290	20	30		FEEDMO
CN(C[C@@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000249563136	549605653	/nfs/dbraw/zinc/60/56/53/549605653.db2.gz	MFVQDTXUNCIRBN-YADHBBJMSA-N	1	1	365.477	2.160	20	30		FEEDMO
C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1	ZINC000249563136	549605654	/nfs/dbraw/zinc/60/56/54/549605654.db2.gz	MFVQDTXUNCIRBN-YADHBBJMSA-N	1	1	365.477	2.160	20	30		FEEDMO
C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1	ZINC000249563136	549605656	/nfs/dbraw/zinc/60/56/56/549605656.db2.gz	MFVQDTXUNCIRBN-YADHBBJMSA-N	1	1	365.477	2.160	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1	ZINC000490245537	561429510	/nfs/dbraw/zinc/42/95/10/561429510.db2.gz	LPJGFJGDGHAMSU-ROUUACIJSA-N	1	1	373.497	2.170	20	30		FEEDMO
CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000262328108	549810902	/nfs/dbraw/zinc/81/09/02/549810902.db2.gz	RGVSSFLCSRCCSY-GFCCVEGCSA-N	1	1	361.389	2.340	20	30		FEEDMO
O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCC[NH+]1CCSCC1	ZINC000490832796	561438937	/nfs/dbraw/zinc/43/89/37/561438937.db2.gz	ZMPMBRDYHVZZHT-UHFFFAOYSA-N	1	1	371.428	2.405	20	30		FEEDMO
CC[N@@H+](C)[C@@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1	ZINC000264049205	549972682	/nfs/dbraw/zinc/97/26/82/549972682.db2.gz	SIWVLEQRWBZUPB-HXUWFJFHSA-N	1	1	363.465	2.295	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000264208633	549992690	/nfs/dbraw/zinc/99/26/90/549992690.db2.gz	WFQPDBVZZWFVIS-SFHVURJKSA-N	1	1	361.486	2.114	20	30		FEEDMO
C[C@H](c1cccc(NCC(=O)N[C@](C)(C#N)C2CC2)c1)[NH+]1CCOCC1	ZINC000264407828	549995229	/nfs/dbraw/zinc/99/52/29/549995229.db2.gz	YORPLJGQDJYBGM-FOIQADDNSA-N	1	1	356.470	2.300	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000264790753	550001538	/nfs/dbraw/zinc/00/15/38/550001538.db2.gz	VZXDLOBJWIQVPK-ZBFHGGJFSA-N	1	1	372.494	2.374	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CCC2)CC1	ZINC000265073032	550005866	/nfs/dbraw/zinc/00/58/66/550005866.db2.gz	XVDDKQXTLHFZEQ-UHFFFAOYSA-N	1	1	372.494	2.328	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C(C)C	ZINC000265118167	550006188	/nfs/dbraw/zinc/00/61/88/550006188.db2.gz	YRZBMDQXCFSHNY-IXDOHACOSA-N	1	1	373.563	2.148	20	30		FEEDMO
CC(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H](O)c1ccc(F)cc1	ZINC000265452375	550009825	/nfs/dbraw/zinc/00/98/25/550009825.db2.gz	UJMLNDHOQGXALN-IBGZPJMESA-N	1	1	374.460	2.473	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000265696693	550013310	/nfs/dbraw/zinc/01/33/10/550013310.db2.gz	HBPXBGUVQJIJPY-INIZCTEOSA-N	1	1	369.387	2.077	20	30		FEEDMO
COc1cc(CNC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1C#N	ZINC000491124762	561443206	/nfs/dbraw/zinc/44/32/06/561443206.db2.gz	WBTMEYBHUAWJOC-RLFYNMQTSA-N	1	1	356.470	2.439	20	30		FEEDMO
Cc1cc(N2CCC(/N=C/c3c(CO)cnc(C)c3O)CC2)nc(C)[nH+]1	ZINC000267456721	550031540	/nfs/dbraw/zinc/03/15/40/550031540.db2.gz	TYCFILOATWAXJZ-UFFVCSGVSA-N	1	1	355.442	2.083	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000269066363	550150721	/nfs/dbraw/zinc/15/07/21/550150721.db2.gz	CWMXBVMOOSMXJL-CHWSQXEVSA-N	1	1	362.861	2.387	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000269103175	550154734	/nfs/dbraw/zinc/15/47/34/550154734.db2.gz	AKVBBIBNBCDSBW-CZUORRHYSA-N	1	1	353.875	2.316	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1C#N	ZINC000269411856	550192271	/nfs/dbraw/zinc/19/22/71/550192271.db2.gz	ZWTAXRIZPDVACL-IAGOWNOFSA-N	1	1	370.453	2.027	20	30		FEEDMO
C#CC[C@@H](NC(=O)NCCCCN1CC[NH+](CC)CC1)c1ccccc1	ZINC000270437927	550272451	/nfs/dbraw/zinc/27/24/51/550272451.db2.gz	QGKIJFODKOJNGA-HXUWFJFHSA-N	1	1	356.514	2.468	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000270899100	550318429	/nfs/dbraw/zinc/31/84/29/550318429.db2.gz	MHLACTULTYEPOU-CVEARBPZSA-N	1	1	361.511	2.348	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000270899100	550318430	/nfs/dbraw/zinc/31/84/30/550318430.db2.gz	MHLACTULTYEPOU-CVEARBPZSA-N	1	1	361.511	2.348	20	30		FEEDMO
C#CCCN1CC[NH+](C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1	ZINC000271950558	550412788	/nfs/dbraw/zinc/41/27/88/550412788.db2.gz	AUWGMCLTZLHGAA-INIZCTEOSA-N	1	1	356.388	2.086	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1	ZINC000272457898	550449901	/nfs/dbraw/zinc/44/99/01/550449901.db2.gz	DAXRXAWNODBPBI-CYBMUJFWSA-N	1	1	370.419	2.333	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1OCC#N	ZINC000272578294	550458864	/nfs/dbraw/zinc/45/88/64/550458864.db2.gz	WAHMMYQRICCEHN-UPXOEVQQSA-N	1	1	355.438	2.163	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CCSC)c1nnc2ccccn21	ZINC000274096556	550522850	/nfs/dbraw/zinc/52/28/50/550522850.db2.gz	ULJJEXOCPDWFSA-LSDHHAIUSA-N	1	1	374.514	2.121	20	30		FEEDMO
CC(C)N1CC[NH+](C2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1	ZINC000274292571	550531647	/nfs/dbraw/zinc/53/16/47/550531647.db2.gz	ZLNVQWNAOIBROS-UHFFFAOYSA-N	1	1	357.458	2.461	20	30		FEEDMO
C=C(C)[C@H]([NH2+][C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1)c1ccc(F)c(F)c1	ZINC000274860237	550560284	/nfs/dbraw/zinc/56/02/84/550560284.db2.gz	HXJSGRKYXAVCOE-IFIJOSMWSA-N	1	1	365.424	2.284	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(OCC(=O)OC)cc1	ZINC000274889733	550563031	/nfs/dbraw/zinc/56/30/31/550563031.db2.gz	PLANZEAVAJBCJS-INIZCTEOSA-N	1	1	360.454	2.259	20	30		FEEDMO
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCC[N@H+]1CCCOCC1	ZINC000275569033	550572871	/nfs/dbraw/zinc/57/28/71/550572871.db2.gz	CARICAMWEKGPJZ-UHFFFAOYSA-N	1	1	369.387	2.078	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000277492968	550676914	/nfs/dbraw/zinc/67/69/14/550676914.db2.gz	LRKGGAYDPNZEHO-INIZCTEOSA-N	1	1	370.453	2.029	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000277492972	550677118	/nfs/dbraw/zinc/67/71/18/550677118.db2.gz	LRKGGAYDPNZEHO-MRXNPFEDSA-N	1	1	370.453	2.029	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C[C@H](O)COc1ccccc1)C(C)C	ZINC000277716364	550705467	/nfs/dbraw/zinc/70/54/67/550705467.db2.gz	FQBWXVLFBCVGGO-MSOLQXFVSA-N	1	1	361.486	2.145	20	30		FEEDMO
C[NH+](C)C1(CNCc2cn(CCC#N)nc2-c2ccncc2)CCOCC1	ZINC000278592939	550802088	/nfs/dbraw/zinc/80/20/88/550802088.db2.gz	HCTFBKZTWAHRKB-UHFFFAOYSA-N	1	1	368.485	2.059	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1CCC(=O)Nc1ccc(C#N)cc1	ZINC000278600442	550803092	/nfs/dbraw/zinc/80/30/92/550803092.db2.gz	IJJUKEXJMVRUNB-MRXNPFEDSA-N	1	1	356.470	2.072	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000278621742	550805207	/nfs/dbraw/zinc/80/52/07/550805207.db2.gz	JZCMYMHLSJZPHZ-OAHLLOKOSA-N	1	1	367.453	2.293	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)CC2)o1	ZINC000278894542	550833455	/nfs/dbraw/zinc/83/34/55/550833455.db2.gz	PCOUZRMCSBRLBY-INIZCTEOSA-N	1	1	373.501	2.165	20	30		FEEDMO
C[C@H]1OCC[C@]12C[N@@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2	ZINC000279782088	550928222	/nfs/dbraw/zinc/92/82/22/550928222.db2.gz	NRXAYAHBWMJKJL-HQEOYTPBSA-N	1	1	369.465	2.322	20	30		FEEDMO
C[C@H]1OCC[C@]12C[N@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2	ZINC000279782088	550928225	/nfs/dbraw/zinc/92/82/25/550928225.db2.gz	NRXAYAHBWMJKJL-HQEOYTPBSA-N	1	1	369.465	2.322	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000281212797	551074542	/nfs/dbraw/zinc/07/45/42/551074542.db2.gz	DHPSDFTVNKAPHV-UXHICEINSA-N	1	1	357.498	2.145	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCOc2ccc(C#N)cc2OC)O1	ZINC000282398040	551223100	/nfs/dbraw/zinc/22/31/00/551223100.db2.gz	HKJPBIFGVBVXRO-RGPZOAQRSA-N	1	1	374.437	2.129	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CCOc2ccc(C#N)cc2OC)O1	ZINC000282398040	551223102	/nfs/dbraw/zinc/22/31/02/551223102.db2.gz	HKJPBIFGVBVXRO-RGPZOAQRSA-N	1	1	374.437	2.129	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1	ZINC000283037470	551301380	/nfs/dbraw/zinc/30/13/80/551301380.db2.gz	QWVAJIQTYURMRV-DLBZAZTESA-N	1	1	364.515	2.062	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000498017870	561513913	/nfs/dbraw/zinc/51/39/13/561513913.db2.gz	JMISGONPVKWFDR-WOJBJXKFSA-N	1	1	354.498	2.487	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1	ZINC000284644397	551597783	/nfs/dbraw/zinc/59/77/83/551597783.db2.gz	MAMSIMODXGPFQC-KRWDZBQOSA-N	1	1	370.497	2.145	20	30		FEEDMO
C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000498531162	561527222	/nfs/dbraw/zinc/52/72/22/561527222.db2.gz	ZPGXDAKKACBOHA-YSSFQJQWSA-N	1	1	373.497	2.457	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000284804493	551638047	/nfs/dbraw/zinc/63/80/47/551638047.db2.gz	WZIPABWTJXHTEL-KRWDZBQOSA-N	1	1	370.497	2.287	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)nn1CCC#N	ZINC000284859931	551652469	/nfs/dbraw/zinc/65/24/69/551652469.db2.gz	QVNMPOCIRZXLSA-GOSISDBHSA-N	1	1	366.469	2.496	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)nn1CCC#N	ZINC000284859931	551652472	/nfs/dbraw/zinc/65/24/72/551652472.db2.gz	QVNMPOCIRZXLSA-GOSISDBHSA-N	1	1	366.469	2.496	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000285849207	551818818	/nfs/dbraw/zinc/81/88/18/551818818.db2.gz	AARQHUWJYRVGCQ-MRXNPFEDSA-N	1	1	355.417	2.235	20	30		FEEDMO
C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NCCCCC#N)CC1	ZINC000286665454	551912173	/nfs/dbraw/zinc/91/21/73/551912173.db2.gz	HPOMTIMBXMMODP-UHFFFAOYSA-N	1	1	370.497	2.167	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1	ZINC000286887891	551936863	/nfs/dbraw/zinc/93/68/63/551936863.db2.gz	DSBZEXFLQYWEHH-TZIWHRDSSA-N	1	1	370.541	2.194	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](C(=O)N4CCCC4)C3)o2)cc1	ZINC000287597880	552023511	/nfs/dbraw/zinc/02/35/11/552023511.db2.gz	YPSSMEZHAKRXNW-INIZCTEOSA-N	1	1	351.410	2.053	20	30		FEEDMO
C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000287721848	552038291	/nfs/dbraw/zinc/03/82/91/552038291.db2.gz	ACJYSCQHHUSOEG-HNAYVOBHSA-N	1	1	362.433	2.276	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1	ZINC000288233298	552115865	/nfs/dbraw/zinc/11/58/65/552115865.db2.gz	RRXVNXXFWNGYSY-MJGOQNOKSA-N	1	1	357.498	2.108	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1	ZINC000288894925	552232098	/nfs/dbraw/zinc/23/20/98/552232098.db2.gz	UDRSHYOBIIROJO-IBGZPJMESA-N	1	1	370.497	2.001	20	30		FEEDMO
COCCOCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000289069281	552261465	/nfs/dbraw/zinc/26/14/65/552261465.db2.gz	RYQFZVLJYBQSGC-OAHLLOKOSA-N	1	1	351.422	2.056	20	30		FEEDMO
COCCOCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000289069281	552261467	/nfs/dbraw/zinc/26/14/67/552261467.db2.gz	RYQFZVLJYBQSGC-OAHLLOKOSA-N	1	1	351.422	2.056	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289189388	552279686	/nfs/dbraw/zinc/27/96/86/552279686.db2.gz	QDTKDXQAPXAZTF-PKOBYXMFSA-N	1	1	355.482	2.214	20	30		FEEDMO
CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000500458000	561573639	/nfs/dbraw/zinc/57/36/39/561573639.db2.gz	PNRKFTOJJKRGMJ-RXCRORICSA-N	1	1	362.518	2.296	20	30		FEEDMO
CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000500458000	561573640	/nfs/dbraw/zinc/57/36/40/561573640.db2.gz	PNRKFTOJJKRGMJ-RXCRORICSA-N	1	1	362.518	2.296	20	30		FEEDMO
C=CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1	ZINC000289662498	552358381	/nfs/dbraw/zinc/35/83/81/552358381.db2.gz	MJCJLYASKDLDBA-QGZVFWFLSA-N	1	1	370.501	2.249	20	30		FEEDMO
C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(F)c1F	ZINC000289902639	552396613	/nfs/dbraw/zinc/39/66/13/552396613.db2.gz	NAFMNFWYADCBRM-NSHDSACASA-N	1	1	351.378	2.356	20	30		FEEDMO
COC(=O)[C@H]([N@@H+]1CCCN(c2ccccc2C#N)CC1)C1(OC)CCC1	ZINC000290180482	552439083	/nfs/dbraw/zinc/43/90/83/552439083.db2.gz	ZEJNHHWFLCYVGJ-SFHVURJKSA-N	1	1	357.454	2.181	20	30		FEEDMO
COC(=O)[C@H]([N@H+]1CCCN(c2ccccc2C#N)CC1)C1(OC)CCC1	ZINC000290180482	552439084	/nfs/dbraw/zinc/43/90/84/552439084.db2.gz	ZEJNHHWFLCYVGJ-SFHVURJKSA-N	1	1	357.454	2.181	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@](CO)(c4ccccc4)C3)C2=O)cc1	ZINC000291898661	552672947	/nfs/dbraw/zinc/67/29/47/552672947.db2.gz	RBAYAXLORPXEKN-IRLDBZIGSA-N	1	1	361.445	2.300	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@]2(CC[N@@H+](C)C2)C1	ZINC000292074044	552690951	/nfs/dbraw/zinc/69/09/51/552690951.db2.gz	DZGWVRHLKYBTAB-JXFKEZNVSA-N	1	1	358.461	2.488	20	30		FEEDMO
Cc1sc(NC(=O)C[NH2+][C@@H](C(N)=O)[C@H](C)c2ccccc2)c(C#N)c1C	ZINC000292191579	552702945	/nfs/dbraw/zinc/70/29/45/552702945.db2.gz	NDIHEMNYKXNMFO-SJKOYZFVSA-N	1	1	370.478	2.422	20	30		FEEDMO
C[C@H](c1ccccc1)[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)C(N)=O	ZINC000292366680	552719887	/nfs/dbraw/zinc/71/98/87/552719887.db2.gz	YIDGHRCDADVDSV-OXQOHEQNSA-N	1	1	364.449	2.180	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)N(C3CC3)C3CCCC3)C2)nc1	ZINC000292383127	552721675	/nfs/dbraw/zinc/72/16/75/552721675.db2.gz	ZGUIWHYLZLRBHF-GOSISDBHSA-N	1	1	354.454	2.340	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)N(C3CC3)C3CCCC3)C2)nc1	ZINC000292383127	552721677	/nfs/dbraw/zinc/72/16/77/552721677.db2.gz	ZGUIWHYLZLRBHF-GOSISDBHSA-N	1	1	354.454	2.340	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)C1	ZINC000292599710	552741749	/nfs/dbraw/zinc/74/17/49/552741749.db2.gz	RPJGVGPICDPZAT-OAQYLSRUSA-N	1	1	368.481	2.268	20	30		FEEDMO
C=CCCCS(=O)(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000292798201	552759511	/nfs/dbraw/zinc/75/95/11/552759511.db2.gz	ZAFXXNZHLIIUMC-SFHVURJKSA-N	1	1	352.500	2.163	20	30		FEEDMO
C[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)[N@H+]1CCCC[C@H]1C	ZINC000501533574	561599796	/nfs/dbraw/zinc/59/97/96/561599796.db2.gz	RQQQPFMAUSHHBO-IAGOWNOFSA-N	1	1	370.501	2.048	20	30		FEEDMO
N#Cc1ccsc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1	ZINC000293816441	552859195	/nfs/dbraw/zinc/85/91/95/552859195.db2.gz	WBFWMDYVBIYQEO-OAHLLOKOSA-N	1	1	360.483	2.472	20	30		FEEDMO
C#CCNC(=O)CC[N@H+]1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C	ZINC000293838834	552861299	/nfs/dbraw/zinc/86/12/99/552861299.db2.gz	QKEYKCSLYFHJEC-GUYCJALGSA-N	1	1	365.271	2.350	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C	ZINC000293838834	552861301	/nfs/dbraw/zinc/86/13/01/552861301.db2.gz	QKEYKCSLYFHJEC-GUYCJALGSA-N	1	1	365.271	2.350	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1	ZINC000293933978	552869169	/nfs/dbraw/zinc/86/91/69/552869169.db2.gz	IFBSEEHSLGMWPT-KRWDZBQOSA-N	1	1	356.470	2.002	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)CCc1nc(-c2ccc(OCC)cc2)no1	ZINC000294073110	552879739	/nfs/dbraw/zinc/87/97/39/552879739.db2.gz	VZPWKVCABMHEOP-UHFFFAOYSA-N	1	1	370.453	2.139	20	30		FEEDMO
N#CCCOCC[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000294086969	552880721	/nfs/dbraw/zinc/88/07/21/552880721.db2.gz	LQTDXTAZVNXSSK-UHFFFAOYSA-N	1	1	353.422	2.235	20	30		FEEDMO
C=CC(C)(C)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000294447279	552906855	/nfs/dbraw/zinc/90/68/55/552906855.db2.gz	CUNWTBLSNUSGER-UHFFFAOYSA-N	1	1	365.499	2.164	20	30		FEEDMO
C=CC(C)(C)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000294447279	552906857	/nfs/dbraw/zinc/90/68/57/552906857.db2.gz	CUNWTBLSNUSGER-UHFFFAOYSA-N	1	1	365.499	2.164	20	30		FEEDMO
C#CCO[C@H](C)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1	ZINC000294670652	552925321	/nfs/dbraw/zinc/92/53/21/552925321.db2.gz	JAKOFIWNTGSKGG-MRXNPFEDSA-N	1	1	357.454	2.396	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCCNC(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H](C)O1	ZINC000294861124	552939608	/nfs/dbraw/zinc/93/96/08/552939608.db2.gz	GRZXHOOHIZMLIN-IYBDPMFKSA-N	1	1	358.486	2.243	20	30		FEEDMO
C#CCCOc1ccc(C(=O)NCCCCN2CC[NH+](CC)CC2)cc1	ZINC000294975488	552948518	/nfs/dbraw/zinc/94/85/18/552948518.db2.gz	RBZDILWFCQXLKF-UHFFFAOYSA-N	1	1	357.498	2.236	20	30		FEEDMO
COc1c(C)cnc(C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)c1C	ZINC000295107323	552959488	/nfs/dbraw/zinc/95/94/88/552959488.db2.gz	HEWRKZGICVRNIH-KRWDZBQOSA-N	1	1	355.438	2.450	20	30		FEEDMO
COc1c(C)c[nH+]c(CN(C)C[C@H](O)COc2ccc(C#N)cc2)c1C	ZINC000295107323	552959492	/nfs/dbraw/zinc/95/94/92/552959492.db2.gz	HEWRKZGICVRNIH-KRWDZBQOSA-N	1	1	355.438	2.450	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)[C@@H](C)C1	ZINC000295270247	552979242	/nfs/dbraw/zinc/97/92/42/552979242.db2.gz	RZDFEJDKHXJOCD-SUMWQHHRSA-N	1	1	353.463	2.189	20	30		FEEDMO
CCc1noc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000296737264	553204817	/nfs/dbraw/zinc/20/48/17/553204817.db2.gz	LLVCDYUMGFCKMG-UHFFFAOYSA-N	1	1	354.414	2.243	20	30		FEEDMO
CCc1noc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000296737264	553204819	/nfs/dbraw/zinc/20/48/19/553204819.db2.gz	LLVCDYUMGFCKMG-UHFFFAOYSA-N	1	1	354.414	2.243	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N1CCC([C@@H](O)c2ccc(OC)cc2)CC1	ZINC000296793563	553212419	/nfs/dbraw/zinc/21/24/19/553212419.db2.gz	HQZPRYBQLGVEIM-FQEVSTJZSA-N	1	1	373.497	2.105	20	30		FEEDMO
C#Cc1ccc(CNC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1	ZINC000297459504	553295169	/nfs/dbraw/zinc/29/51/69/553295169.db2.gz	CGRNUSJGIWCRHI-UHFFFAOYSA-N	1	1	368.525	2.368	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCc1coc(-c2ccc(C)cc2)n1	ZINC000297829710	553344223	/nfs/dbraw/zinc/34/42/23/553344223.db2.gz	XZLDBGSUARXFRO-UHFFFAOYSA-N	1	1	354.454	2.447	20	30		FEEDMO
Cc1[nH+]ccn1CCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N	ZINC000298740777	553466852	/nfs/dbraw/zinc/46/68/52/553466852.db2.gz	BLFCZSYKBWIZNJ-UHFFFAOYSA-N	1	1	364.453	2.241	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000298766655	553470131	/nfs/dbraw/zinc/47/01/31/553470131.db2.gz	ZIHGRGWECWZOOY-QFBILLFUSA-N	1	1	357.502	2.190	20	30		FEEDMO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1	ZINC000504338693	561656459	/nfs/dbraw/zinc/65/64/59/561656459.db2.gz	NJKOFLJHOOBCMN-CVEARBPZSA-N	1	1	371.460	2.156	20	30		FEEDMO
N#Cc1cnc2ccccc2c1NCC[NH+]1CCN(c2ncccn2)CC1	ZINC000301357093	553645104	/nfs/dbraw/zinc/64/51/04/553645104.db2.gz	KWONEZJTZCAXID-UHFFFAOYSA-N	1	1	359.437	2.131	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C[C@H]21	ZINC000301647990	553668475	/nfs/dbraw/zinc/66/84/75/553668475.db2.gz	IQEBICRNCIGPRW-CVEARBPZSA-N	1	1	360.364	2.227	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1nccc(C#N)c1[N+](=O)[O-]	ZINC000301655514	553669082	/nfs/dbraw/zinc/66/90/82/553669082.db2.gz	LAMUPTYVOZZYOK-OAHLLOKOSA-N	1	1	366.425	2.484	20	30		FEEDMO
N#Cc1ccc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1C(F)(F)F	ZINC000301906882	553690904	/nfs/dbraw/zinc/69/09/04/553690904.db2.gz	AIPDWQDZULQAIK-INIZCTEOSA-N	1	1	366.387	2.496	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1C#N	ZINC000603115119	553711546	/nfs/dbraw/zinc/71/15/46/553711546.db2.gz	AYBWZTKHVXEQGT-HLLBOEOZSA-N	1	1	357.458	2.367	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1C#N	ZINC000603115119	553711548	/nfs/dbraw/zinc/71/15/48/553711548.db2.gz	AYBWZTKHVXEQGT-HLLBOEOZSA-N	1	1	357.458	2.367	20	30		FEEDMO
N#Cc1cc(N2CCC[C@H]2C[NH+]2CCOCC2)nc2ccc([N+](=O)[O-])cc12	ZINC000302626299	553723688	/nfs/dbraw/zinc/72/36/88/553723688.db2.gz	FOGJUBZVEGWGBA-INIZCTEOSA-N	1	1	367.409	2.316	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@](F)(CO)C2)[C@H]1c1cccs1	ZINC000328702275	553809859	/nfs/dbraw/zinc/80/98/59/553809859.db2.gz	NSTHTFUKMZLSTG-UKPHBRMFSA-N	1	1	355.479	2.451	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCC(=O)NC23CCC3)C[C@H](C)O1	ZINC000328731276	553813550	/nfs/dbraw/zinc/81/35/50/553813550.db2.gz	GNELUXAAUFKULW-QLFBSQMISA-N	1	1	366.506	2.419	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCC(=O)NC23CCC3)C[C@H](C)O1	ZINC000328731276	553813552	/nfs/dbraw/zinc/81/35/52/553813552.db2.gz	GNELUXAAUFKULW-QLFBSQMISA-N	1	1	366.506	2.419	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)N[C@H]1CCC(=O)NC12CCC2)[NH+]1CCOCC1	ZINC000328743756	553815546	/nfs/dbraw/zinc/81/55/46/553815546.db2.gz	NPTSKDRVJWXOQC-CVEARBPZSA-N	1	1	366.506	2.279	20	30		FEEDMO
CC[C@@H]1CN(C(=O)CCC(=O)NC2CCCC2)C[C@H]1[NH+]1CCOCC1	ZINC000328766825	553819395	/nfs/dbraw/zinc/81/93/95/553819395.db2.gz	HIQDOGYUBNKEDZ-NVXWUHKLSA-N	1	1	351.491	2.235	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)N[C@H]1CCCc2nn(C)cc21)[NH+]1CCOCC1	ZINC000328786010	553822497	/nfs/dbraw/zinc/82/24/97/553822497.db2.gz	IXLFAILRFPNJRA-WBVHZDCISA-N	1	1	363.506	2.048	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@H](c3nccn3C)C2)C[C@@H](C)O1	ZINC000328804761	553824379	/nfs/dbraw/zinc/82/43/79/553824379.db2.gz	HKJIFXVXSHHWJS-OAGGEKHMSA-N	1	1	363.506	2.011	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000328850043	553832233	/nfs/dbraw/zinc/83/22/33/553832233.db2.gz	WISYWWYSDWRBGK-DRRXZNNHSA-N	1	1	367.490	2.297	20	30		FEEDMO
CC(=O)N1CCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC12CCCCC2	ZINC000328934905	553848311	/nfs/dbraw/zinc/84/83/11/553848311.db2.gz	CGAQHYCJKFSHPT-FUHWJXTLSA-N	1	1	364.534	2.496	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000328994871	553861059	/nfs/dbraw/zinc/86/10/59/553861059.db2.gz	JLBTUCGQOBYGDX-AKCHCHLHSA-N	1	1	373.501	2.446	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C	ZINC000329006665	553862991	/nfs/dbraw/zinc/86/29/91/553862991.db2.gz	XWDKQDSDWMZMNG-IIDMSEBBSA-N	1	1	361.490	2.016	20	30		FEEDMO
C[N@H+]1CC[C@@H]2OCCN(CC(=O)NCCc3cccc4cccnc43)[C@H]2C1	ZINC000329020461	553865995	/nfs/dbraw/zinc/86/59/95/553865995.db2.gz	LUJDCKPATNHLDL-OALUTQOASA-N	1	1	368.481	2.139	20	30		FEEDMO
CO[C@H]1C[C@@H](CN(C)CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)[N@@H+](C)C1	ZINC000329044621	553870890	/nfs/dbraw/zinc/87/08/90/553870890.db2.gz	UMBAVBGIXULXMO-FXUDXRNXSA-N	1	1	354.495	2.087	20	30		FEEDMO
CC(C)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[NH+]1CCOCC1	ZINC000506115187	561690866	/nfs/dbraw/zinc/69/08/66/561690866.db2.gz	HBRXDNMGDROZPC-SFHVURJKSA-N	1	1	359.445	2.202	20	30		FEEDMO
C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000329139269	553887534	/nfs/dbraw/zinc/88/75/34/553887534.db2.gz	FFISCIJTRQLVOH-QWHCGFSZSA-N	1	1	371.528	2.388	20	30		FEEDMO
O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](C2CC2)CC1	ZINC000329184721	553897694	/nfs/dbraw/zinc/89/76/94/553897694.db2.gz	GCFPXXIXRNDRIG-UHFFFAOYSA-N	1	1	374.529	2.156	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CSCN2C(=O)C2CCC2)C1	ZINC000329184848	553897713	/nfs/dbraw/zinc/89/77/13/553897713.db2.gz	PVYDOOBOBXJSPD-CVEARBPZSA-N	1	1	369.531	2.001	20	30		FEEDMO
COc1ccccc1[C@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[NH+](C)C	ZINC000329250694	553911010	/nfs/dbraw/zinc/91/10/10/553911010.db2.gz	XTNJBFCWNGLDFZ-OWCLPIDISA-N	1	1	360.458	2.263	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)Nc1ccc2c(c1)OCCO2	ZINC000329352004	553929937	/nfs/dbraw/zinc/92/99/37/553929937.db2.gz	FPBWZLRNIOYAAT-OAHLLOKOSA-N	1	1	373.453	2.380	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)Nc1ccc2c(c1)OCCO2	ZINC000329352004	553929943	/nfs/dbraw/zinc/92/99/43/553929943.db2.gz	FPBWZLRNIOYAAT-OAHLLOKOSA-N	1	1	373.453	2.380	20	30		FEEDMO
CC(C)CNC(=O)N1CCC[C@H](C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)C1	ZINC000329453556	553949959	/nfs/dbraw/zinc/94/99/59/553949959.db2.gz	DGHQQBBHWPYURT-SQNIBIBYSA-N	1	1	364.534	2.354	20	30		FEEDMO
O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1	ZINC000329494860	553957748	/nfs/dbraw/zinc/95/77/48/553957748.db2.gz	DHDPWWPMTJHYAJ-VQIMIIECSA-N	1	1	354.454	2.422	20	30		FEEDMO
O=C(C[N@@H+]1CCOCC2(CCOCC2)C1)NC[C@@H]1Cc2ccccc2O1	ZINC000329500343	553958263	/nfs/dbraw/zinc/95/82/63/553958263.db2.gz	FXMZDROGYYUJRQ-KRWDZBQOSA-N	1	1	360.454	2.076	20	30		FEEDMO
O=C(C[N@H+]1CCOCC2(CCOCC2)C1)NC[C@@H]1Cc2ccccc2O1	ZINC000329500343	553958266	/nfs/dbraw/zinc/95/82/66/553958266.db2.gz	FXMZDROGYYUJRQ-KRWDZBQOSA-N	1	1	360.454	2.076	20	30		FEEDMO
Cn1cc(C2CC[NH+](CC(=O)NC[C@@H]3COc4ccccc4O3)CC2)cn1	ZINC000329508309	553959547	/nfs/dbraw/zinc/95/95/47/553959547.db2.gz	MACPWFNWNWFEIK-QGZVFWFLSA-N	1	1	370.453	2.396	20	30		FEEDMO
CCO[C@@H]1C[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C12CCOCC2	ZINC000329541128	553964589	/nfs/dbraw/zinc/96/45/89/553964589.db2.gz	NFGQDEJLARZYFQ-ZFHLEULCSA-N	1	1	365.518	2.432	20	30		FEEDMO
Cc1nccc(N2CCN(C(=O)N[C@H]3CCc4ccccc4C3)CC2)n1	ZINC000329568464	553968671	/nfs/dbraw/zinc/96/86/71/553968671.db2.gz	LNMBHVUCDFBZNA-SFHVURJKSA-N	1	1	351.454	2.379	20	30		FEEDMO
CC[C@H](NC(=O)[C@@H]1CCC(=O)N1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000329585961	553971938	/nfs/dbraw/zinc/97/19/38/553971938.db2.gz	YHUJQQVHVGEWFX-OKZBNKHCSA-N	1	1	359.470	2.243	20	30		FEEDMO
CC[C@H](NC(=O)[C@@H]1CCC(=O)N1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000329585961	553971941	/nfs/dbraw/zinc/97/19/41/553971941.db2.gz	YHUJQQVHVGEWFX-OKZBNKHCSA-N	1	1	359.470	2.243	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1	ZINC000329632890	553980347	/nfs/dbraw/zinc/98/03/47/553980347.db2.gz	WLBAEYUXEAFWDJ-RBSFLKMASA-N	1	1	363.462	2.456	20	30		FEEDMO
C[C@H](NC(=O)N[C@@H]1CCN(C(=O)C2CCCCC2)C1)C1=CC[N@@H+](C)CC1	ZINC000329707961	553992961	/nfs/dbraw/zinc/99/29/61/553992961.db2.gz	LYNJPLUJEYCNPO-MAUKXSAKSA-N	1	1	362.518	2.322	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1	ZINC000329721534	553995487	/nfs/dbraw/zinc/99/54/87/553995487.db2.gz	DZSXKWYUZHYAPT-DXWTWGPWSA-N	1	1	364.490	2.126	20	30		FEEDMO
COCCn1cc2c(n1)[C@H](NC(=O)N[C@@H]1CC[N@H+]3CCCC[C@H]13)CCC2	ZINC000329725540	553995934	/nfs/dbraw/zinc/99/59/34/553995934.db2.gz	BYJIKYMZKZZPCH-BRWVUGGUSA-N	1	1	361.490	2.037	20	30		FEEDMO
CNC(=O)C1CCC(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1	ZINC000329835529	554015025	/nfs/dbraw/zinc/01/50/25/554015025.db2.gz	LLKBQYSRRJBYRV-OFLPRAFFSA-N	1	1	366.506	2.232	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(S(C)(=O)=O)s1	ZINC000329882367	554023882	/nfs/dbraw/zinc/02/38/82/554023882.db2.gz	PVPGEYATDQZADF-OLZOCXBDSA-N	1	1	371.528	2.124	20	30		FEEDMO
CCCN1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1=O	ZINC000329913252	554030555	/nfs/dbraw/zinc/03/05/55/554030555.db2.gz	OOSNYQQJSSRKKW-SFHVURJKSA-N	1	1	358.486	2.119	20	30		FEEDMO
CC(=O)N1CCC[C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1	ZINC000329961286	554039788	/nfs/dbraw/zinc/03/97/88/554039788.db2.gz	OMQSCLVCPFTLSW-KBAYOESNSA-N	1	1	364.534	2.402	20	30		FEEDMO
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1=O	ZINC000329962658	554039801	/nfs/dbraw/zinc/03/98/01/554039801.db2.gz	SGKPIPIOQIKRLC-YSHGAJCASA-N	1	1	371.481	2.243	20	30		FEEDMO
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1=O	ZINC000329962658	554039805	/nfs/dbraw/zinc/03/98/05/554039805.db2.gz	SGKPIPIOQIKRLC-YSHGAJCASA-N	1	1	371.481	2.243	20	30		FEEDMO
CN1CCO[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@H]21	ZINC000329964488	554040515	/nfs/dbraw/zinc/04/05/15/554040515.db2.gz	QOFTVZOAFLBVKJ-CABCVRRESA-N	1	1	360.483	2.101	20	30		FEEDMO
Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H](C)[NH+]1CCSCC1	ZINC000329992192	554045652	/nfs/dbraw/zinc/04/56/52/554045652.db2.gz	XKYCQALHOZMUMR-KCXAZCMYSA-N	1	1	370.494	2.289	20	30		FEEDMO
CC1(C)CN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C[C@@]2(CCOC2)O1	ZINC000330001303	554047505	/nfs/dbraw/zinc/04/75/05/554047505.db2.gz	XUPZIAPOVANHPL-QFBILLFUSA-N	1	1	351.491	2.187	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC(=O)N(C)C1CCCCC1	ZINC000330012899	554048919	/nfs/dbraw/zinc/04/89/19/554048919.db2.gz	LHTDJFQZKZZRLG-UHFFFAOYSA-N	1	1	372.473	2.318	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CC(=O)N(C)C2)CC1	ZINC000330056192	554056154	/nfs/dbraw/zinc/05/61/54/554056154.db2.gz	VMDWWZAPZAQOMJ-WBVHZDCISA-N	1	1	350.507	2.108	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21	ZINC000330081354	554061357	/nfs/dbraw/zinc/06/13/57/554061357.db2.gz	PNOWTDMRDRZPKB-ZBFHGGJFSA-N	1	1	364.465	2.177	20	30		FEEDMO
CCc1nc2c(s1)[C@H](N(C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)CCC2	ZINC000330108316	554066080	/nfs/dbraw/zinc/06/60/80/554066080.db2.gz	NMLNDOTVPWLDKQ-DZGCQCFKSA-N	1	1	365.547	2.175	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CC1	ZINC000330115441	554067321	/nfs/dbraw/zinc/06/73/21/554067321.db2.gz	FPRRQKQWTULEGR-WNRNVDISSA-N	1	1	362.518	2.108	20	30		FEEDMO
Cc1nnc2n1C[C@@H](CNC(=O)NC1CC[NH+](C3CCCC3)CC1)CC2	ZINC000330134644	554071134	/nfs/dbraw/zinc/07/11/34/554071134.db2.gz	SBLIDLUXHGUSBP-OAHLLOKOSA-N	1	1	360.506	2.060	20	30		FEEDMO
Cc1nnc2n1C[C@@H](C[NH+]=C([O-])NC1CC[NH+](C3CCCC3)CC1)CC2	ZINC000330134644	554071139	/nfs/dbraw/zinc/07/11/39/554071139.db2.gz	SBLIDLUXHGUSBP-OAHLLOKOSA-N	1	1	360.506	2.060	20	30		FEEDMO
[O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCN(c2cccc(F)c2F)CC1	ZINC000330144781	554073450	/nfs/dbraw/zinc/07/34/50/554073450.db2.gz	RWJHEUXOXOBUMJ-ZDUSSCGKSA-N	1	1	361.396	2.212	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)N3CCO[C@H](C4CC4)C3)CC2)nc(C)[nH+]1	ZINC000330187497	554080489	/nfs/dbraw/zinc/08/04/89/554080489.db2.gz	TUCDKRFYODVWEB-KRWDZBQOSA-N	1	1	359.474	2.087	20	30		FEEDMO
O=C(NC1CCCCC1)NC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1	ZINC000330203549	554084116	/nfs/dbraw/zinc/08/41/16/554084116.db2.gz	AWDRHXKDBZPPEJ-GOSISDBHSA-N	1	1	362.518	2.441	20	30		FEEDMO
Cc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1N1CCNC1=O	ZINC000330206283	554084939	/nfs/dbraw/zinc/08/49/39/554084939.db2.gz	DDLHZMJKSKVHES-HOTGVXAUSA-N	1	1	357.458	2.491	20	30		FEEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CCOC2(CCOCC2)C1	ZINC000330217571	554087589	/nfs/dbraw/zinc/08/75/89/554087589.db2.gz	IOTSTAJGTAHOGY-SJORKVTESA-N	1	1	353.507	2.435	20	30		FEEDMO
C[C@@H]1C[C@H](CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CCO1	ZINC000330231922	554089870	/nfs/dbraw/zinc/08/98/70/554089870.db2.gz	RGCNYJWKDIFREZ-GVDBMIGSSA-N	1	1	353.507	2.291	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3CC)cc2C1=O	ZINC000330238674	554091116	/nfs/dbraw/zinc/09/11/16/554091116.db2.gz	ZYZAQOPHIGUDJT-HOTGVXAUSA-N	1	1	367.449	2.167	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCO[C@@H]1C1CC1	ZINC000330242854	554091604	/nfs/dbraw/zinc/09/16/04/554091604.db2.gz	CHVQANNSEXRJLY-SFHLNBCPSA-N	1	1	373.497	2.037	20	30		FEEDMO
CC(C)N1C[C@@H](NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1=O	ZINC000330253914	554093637	/nfs/dbraw/zinc/09/36/37/554093637.db2.gz	OYCHZDNOYWKWHR-NJAFHUGGSA-N	1	1	358.486	2.335	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)C[C@@H]1[NH+]1CCOCC1	ZINC000330272590	554097183	/nfs/dbraw/zinc/09/71/83/554097183.db2.gz	XTONMXIIYYIVCR-YDZRNGNQSA-N	1	1	367.534	2.394	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCOC2(CCOCC2)C1	ZINC000330272957	554097356	/nfs/dbraw/zinc/09/73/56/554097356.db2.gz	YKOMZQCWYGHBON-BBWFWOEESA-N	1	1	351.491	2.187	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1	ZINC000330276438	554097657	/nfs/dbraw/zinc/09/76/57/554097657.db2.gz	MXCQXNRUUKASBS-RVKKMQEKSA-N	1	1	350.463	2.012	20	30		FEEDMO
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1	ZINC000330325552	554105460	/nfs/dbraw/zinc/10/54/60/554105460.db2.gz	JJPNHSZLWZZCQG-JCGIZDLHSA-N	1	1	362.474	2.098	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1	ZINC000330331175	554106300	/nfs/dbraw/zinc/10/63/00/554106300.db2.gz	NWYSOIMNABAVTQ-NUJGCVRESA-N	1	1	363.506	2.408	20	30		FEEDMO
Cc1c(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cccc1S(N)(=O)=O	ZINC000330418405	554119119	/nfs/dbraw/zinc/11/91/19/554119119.db2.gz	DEKBJNLEEJEQKN-CHWSQXEVSA-N	1	1	353.488	2.067	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000330427867	554120154	/nfs/dbraw/zinc/12/01/54/554120154.db2.gz	UDMYARSDLWCAEF-LZLYRXPVSA-N	1	1	364.515	2.108	20	30		FEEDMO
COC(=O)c1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1Cl	ZINC000330518569	554132835	/nfs/dbraw/zinc/13/28/35/554132835.db2.gz	YHEYFOFRKXOWIJ-VXGBXAGGSA-N	1	1	369.849	2.059	20	30		FEEDMO
COC(=O)c1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1Cl	ZINC000330518569	554132838	/nfs/dbraw/zinc/13/28/38/554132838.db2.gz	YHEYFOFRKXOWIJ-VXGBXAGGSA-N	1	1	369.849	2.059	20	30		FEEDMO
CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1	ZINC000330899990	554185272	/nfs/dbraw/zinc/18/52/72/554185272.db2.gz	JNHYNUBGPXUUKC-ZIAGYGMSSA-N	1	1	353.488	2.081	20	30		FEEDMO
CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C1	ZINC000330941191	554192045	/nfs/dbraw/zinc/19/20/45/554192045.db2.gz	FJSMTVLGWKLTBR-NWDGAFQWSA-N	1	1	370.856	2.034	20	30		FEEDMO
CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C1	ZINC000330941191	554192047	/nfs/dbraw/zinc/19/20/47/554192047.db2.gz	FJSMTVLGWKLTBR-NWDGAFQWSA-N	1	1	370.856	2.034	20	30		FEEDMO
CN(CC(=O)NC(=O)NC(C)(C)C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000331018423	554202007	/nfs/dbraw/zinc/20/20/07/554202007.db2.gz	VZLPTMXDCGUPPL-QGZVFWFLSA-N	1	1	360.502	2.412	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[C@@H]1C	ZINC000331096589	554211807	/nfs/dbraw/zinc/21/18/07/554211807.db2.gz	AMGUWQPHOAINFQ-DZGCQCFKSA-N	1	1	353.488	2.440	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)C1	ZINC000331150954	554222267	/nfs/dbraw/zinc/22/22/67/554222267.db2.gz	ZXBGACVLRCZMLD-OWCLPIDISA-N	1	1	373.563	2.023	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(Cl)ccc2N(C)C)[C@@H](C)C1	ZINC000331192422	554229073	/nfs/dbraw/zinc/22/90/73/554229073.db2.gz	RMOQMCDFUYEGRJ-STQMWFEESA-N	1	1	354.882	2.338	20	30		FEEDMO
C[C@H](COc1cccc(F)c1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C	ZINC000331217831	554232348	/nfs/dbraw/zinc/23/23/48/554232348.db2.gz	GQZXXGQKRZVPFH-HUUCEWRRSA-N	1	1	367.465	2.284	20	30		FEEDMO
C[C@H](CS(C)(=O)=O)N(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1	ZINC000331245717	554236083	/nfs/dbraw/zinc/23/60/83/554236083.db2.gz	LYMPFNKQFYMYOA-ZBFHGGJFSA-N	1	1	359.536	2.062	20	30		FEEDMO
C=CCn1c(-c2cccn2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1	ZINC000508790774	561773008	/nfs/dbraw/zinc/77/30/08/561773008.db2.gz	KSCNFOKPHAYMJY-UHFFFAOYSA-N	1	1	358.490	2.017	20	30		FEEDMO
C=CCn1c(-c2cccn2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1	ZINC000508790774	561773010	/nfs/dbraw/zinc/77/30/10/561773010.db2.gz	KSCNFOKPHAYMJY-UHFFFAOYSA-N	1	1	358.490	2.017	20	30		FEEDMO
C=CCSCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000509187366	561788954	/nfs/dbraw/zinc/78/89/54/561788954.db2.gz	UUBRRLDMLCXODY-QZTJIDSGSA-N	1	1	363.527	2.088	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000331874944	554336273	/nfs/dbraw/zinc/33/62/73/554336273.db2.gz	PCXHQDAYDWMORG-MSOLQXFVSA-N	1	1	355.486	2.079	20	30		FEEDMO
C[C@@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)C[N@H+]1C	ZINC000509439614	561799724	/nfs/dbraw/zinc/79/97/24/561799724.db2.gz	XQEHWOFYQYXJNF-CABCVRRESA-N	1	1	367.415	2.198	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000509737820	561812387	/nfs/dbraw/zinc/81/23/87/561812387.db2.gz	LZWBIDVCAWOTGI-ROUUACIJSA-N	1	1	354.454	2.044	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000332626156	554486392	/nfs/dbraw/zinc/48/63/92/554486392.db2.gz	OQYROSXEBAVLTO-HOTGVXAUSA-N	1	1	351.447	2.086	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]1	ZINC000610562951	554529241	/nfs/dbraw/zinc/52/92/41/554529241.db2.gz	MDHNCQXRPDFGMO-MRXNPFEDSA-N	1	1	352.442	2.325	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]1	ZINC000610562951	554529242	/nfs/dbraw/zinc/52/92/42/554529242.db2.gz	MDHNCQXRPDFGMO-MRXNPFEDSA-N	1	1	352.442	2.325	20	30		FEEDMO
C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(CCc2ccccc2F)C1=O	ZINC000510691850	561843596	/nfs/dbraw/zinc/84/35/96/561843596.db2.gz	WKNABEBNTAMEIQ-LJQANCHMSA-N	1	1	365.408	2.499	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(CCc2ccccc2F)C1=O	ZINC000510691850	561843597	/nfs/dbraw/zinc/84/35/97/561843597.db2.gz	WKNABEBNTAMEIQ-LJQANCHMSA-N	1	1	365.408	2.499	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000333515859	554620066	/nfs/dbraw/zinc/62/00/66/554620066.db2.gz	YNWRLWNTHNRTSK-ZRSRNVLSSA-N	1	1	365.518	2.251	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000333515859	554620067	/nfs/dbraw/zinc/62/00/67/554620067.db2.gz	YNWRLWNTHNRTSK-ZRSRNVLSSA-N	1	1	365.518	2.251	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1	ZINC000360383536	554872879	/nfs/dbraw/zinc/87/28/79/554872879.db2.gz	CLOWZSCKPXHWJL-SFHVURJKSA-N	1	1	355.463	2.292	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1	ZINC000360383536	554872883	/nfs/dbraw/zinc/87/28/83/554872883.db2.gz	CLOWZSCKPXHWJL-SFHVURJKSA-N	1	1	355.463	2.292	20	30		FEEDMO
C=CCc1ccc(OCC(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c(OC)c1	ZINC000362719875	554983910	/nfs/dbraw/zinc/98/39/10/554983910.db2.gz	PMSAVFNPBNGRKX-ROUUACIJSA-N	1	1	374.481	2.172	20	30		FEEDMO
C=CCc1ccc(OCC(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c(OC)c1	ZINC000362719875	554983912	/nfs/dbraw/zinc/98/39/12/554983912.db2.gz	PMSAVFNPBNGRKX-ROUUACIJSA-N	1	1	374.481	2.172	20	30		FEEDMO
Cc1cnn(C2CC[NH+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c1	ZINC000363001729	555007352	/nfs/dbraw/zinc/00/73/52/555007352.db2.gz	VKHSBWCPJMMHQH-GOSISDBHSA-N	1	1	363.421	2.032	20	30		FEEDMO
COc1ccc(CC(=O)N2CCC[N@@H+](CCCSCC#N)CC2)cc1	ZINC000363046928	555018212	/nfs/dbraw/zinc/01/82/12/555018212.db2.gz	HSHXHDRUYBQYGZ-UHFFFAOYSA-N	1	1	361.511	2.419	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CC[N@H+](C)C[C@H]3C)C2)n1	ZINC000363114221	555033351	/nfs/dbraw/zinc/03/33/51/555033351.db2.gz	PFBMREZESMNUGS-MNEFBYGVSA-N	1	1	369.513	2.277	20	30		FEEDMO
CCCN1CC[NH+](C2CCN(C(=O)c3ccc(C#N)cc3C)CC2)CC1	ZINC000363164294	555043944	/nfs/dbraw/zinc/04/39/44/555043944.db2.gz	LISBEZGOUYXTMI-UHFFFAOYSA-N	1	1	354.498	2.499	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1	ZINC000363246142	555062609	/nfs/dbraw/zinc/06/26/09/555062609.db2.gz	PSHRBWBNABZBHR-HNNXBMFYSA-N	1	1	356.445	2.229	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000363943641	555219035	/nfs/dbraw/zinc/21/90/35/555219035.db2.gz	AFKQZKZRJBYRJV-MRXNPFEDSA-N	1	1	367.457	2.381	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1	ZINC000364429230	555312100	/nfs/dbraw/zinc/31/21/00/555312100.db2.gz	XJJCCRSOVHQYAE-JXFKEZNVSA-N	1	1	367.497	2.263	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)[C@H]2CCCN(c3ccc(C)c[nH+]3)C2)n1	ZINC000364449518	555316034	/nfs/dbraw/zinc/31/60/34/555316034.db2.gz	UYQRPEPSBKCNBK-SFHVURJKSA-N	1	1	365.481	2.485	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1cccnc1	ZINC000364567311	555340319	/nfs/dbraw/zinc/34/03/19/555340319.db2.gz	GELCABNIZLDVNA-KSSFIOAISA-N	1	1	374.441	2.064	20	30		FEEDMO
C=CCN(C(=O)NOC[C@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364959637	555450864	/nfs/dbraw/zinc/45/08/64/555450864.db2.gz	XREUEVCQEGQKBZ-RBUKOAKNSA-N	1	1	359.470	2.427	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1	ZINC000365592743	555617571	/nfs/dbraw/zinc/61/75/71/555617571.db2.gz	QLXXAQVWQYQFIW-SFHVURJKSA-N	1	1	355.463	2.453	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(O)(Cc2ccccc2F)CC1	ZINC000365855580	555684430	/nfs/dbraw/zinc/68/44/30/555684430.db2.gz	IGDFCJQRURLVJO-LJQANCHMSA-N	1	1	361.461	2.250	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(O)(Cc2ccccc2F)CC1	ZINC000365866167	555687488	/nfs/dbraw/zinc/68/74/88/555687488.db2.gz	WYFBVZYBIVKXAU-INIZCTEOSA-N	1	1	361.461	2.203	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3nc[nH]n3)CC2)c(OC)c1	ZINC000365922044	555702005	/nfs/dbraw/zinc/70/20/05/555702005.db2.gz	XBZIIGDSVAYKBI-QGZVFWFLSA-N	1	1	372.469	2.161	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+](Cc3ccnn3-c3ccc(F)cc3)CC2)n1	ZINC000366278422	555799463	/nfs/dbraw/zinc/79/94/63/555799463.db2.gz	DTEUVHZCMXMJHU-UHFFFAOYSA-N	1	1	351.389	2.312	20	30		FEEDMO
N#CC(CC[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)(c1ccccc1)c1ccccc1	ZINC000366335697	555814644	/nfs/dbraw/zinc/81/46/44/555814644.db2.gz	VEDLIMCRIONORT-VQTJNVASSA-N	1	1	373.456	2.481	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1	ZINC000367076282	556001223	/nfs/dbraw/zinc/00/12/23/556001223.db2.gz	LVZRJWCIGFANSC-RBUKOAKNSA-N	1	1	359.445	2.224	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1	ZINC000367076282	556001225	/nfs/dbraw/zinc/00/12/25/556001225.db2.gz	LVZRJWCIGFANSC-RBUKOAKNSA-N	1	1	359.445	2.224	20	30		FEEDMO
Cc1cccc(N2CCC(NS(=O)(=O)CCC(C)(C)C#N)CC2)[nH+]1	ZINC000367368602	556029653	/nfs/dbraw/zinc/02/96/53/556029653.db2.gz	VCZZTUMHUWTMAA-UHFFFAOYSA-N	1	1	350.488	2.218	20	30		FEEDMO
CCN1CCN([C@@H](C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000367614022	556097582	/nfs/dbraw/zinc/09/75/82/556097582.db2.gz	FCTFMWTXVFPEDR-SFHVURJKSA-N	1	1	355.530	2.143	20	30		FEEDMO
C=CCN(C(=O)NCc1cncn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000367851427	556154902	/nfs/dbraw/zinc/15/49/02/556154902.db2.gz	VKBTZEGSEFIZQQ-GOSISDBHSA-N	1	1	353.470	2.392	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000367851577	556155065	/nfs/dbraw/zinc/15/50/65/556155065.db2.gz	AXODCLSYKJGIQZ-HUUCEWRRSA-N	1	1	370.453	2.049	20	30		FEEDMO
C#CC[C@@]1(C(=O)NC[C@H]2CC[N@H+](CC)C2)CCCN1C(=O)OC(C)(C)C	ZINC000368013533	556194901	/nfs/dbraw/zinc/19/49/01/556194901.db2.gz	BLDFEXBEJQXWMJ-UZLBHIALSA-N	1	1	363.502	2.237	20	30		FEEDMO
Cc1ccc2ncc(C#N)c(N3CCC[N@@H+](CC(=O)NC(C)C)CC3)c2c1	ZINC000368229334	556253582	/nfs/dbraw/zinc/25/35/82/556253582.db2.gz	SHWREVGGAKYRLQ-UHFFFAOYSA-N	1	1	365.481	2.452	20	30		FEEDMO
Cc1ccc2ncc(C#N)c(N3CCC[N@H+](CC(=O)NC(C)C)CC3)c2c1	ZINC000368229334	556253583	/nfs/dbraw/zinc/25/35/83/556253583.db2.gz	SHWREVGGAKYRLQ-UHFFFAOYSA-N	1	1	365.481	2.452	20	30		FEEDMO
C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1	ZINC000368417475	556302820	/nfs/dbraw/zinc/30/28/20/556302820.db2.gz	SHMGIPAJOXIXEV-AHRSYUTCSA-N	1	1	370.497	2.366	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1	ZINC000368803526	556417504	/nfs/dbraw/zinc/41/75/04/556417504.db2.gz	CZUALPYAGOFSGD-OXJNMPFZSA-N	1	1	362.518	2.202	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1	ZINC000368803526	556417506	/nfs/dbraw/zinc/41/75/06/556417506.db2.gz	CZUALPYAGOFSGD-OXJNMPFZSA-N	1	1	362.518	2.202	20	30		FEEDMO
N#Cc1ccc(C[C@@H](C#N)C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1	ZINC000369137719	556513939	/nfs/dbraw/zinc/51/39/39/556513939.db2.gz	DAQQGSACYGUOKZ-SFHVURJKSA-N	1	1	364.474	2.477	20	30		FEEDMO
N#Cc1ccc(C[C@@H](C#N)C(=O)NCC[N@H+]2CCc3sccc3C2)cc1	ZINC000369137719	556513942	/nfs/dbraw/zinc/51/39/42/556513942.db2.gz	DAQQGSACYGUOKZ-SFHVURJKSA-N	1	1	364.474	2.477	20	30		FEEDMO
CCCN1CC[NH+](C2CCN(C(=O)c3ccccc3OCC#N)CC2)CC1	ZINC000369158090	556520226	/nfs/dbraw/zinc/52/02/26/556520226.db2.gz	VVABNMIKLGWVHN-UHFFFAOYSA-N	1	1	370.497	2.221	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)N(C)[C@@H](C)CC#N)cc1	ZINC000369212410	556537472	/nfs/dbraw/zinc/53/74/72/556537472.db2.gz	BLNFQNKPCNGILH-UONOGXRCSA-N	1	1	361.471	2.310	20	30		FEEDMO
C=CCCCCCN(C)C(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000369605271	556644965	/nfs/dbraw/zinc/64/49/65/556644965.db2.gz	IGFPCSZZXOKXJI-UHFFFAOYSA-N	1	1	364.534	2.461	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000369608175	556646478	/nfs/dbraw/zinc/64/64/78/556646478.db2.gz	DBTVPTVYWWPABS-PWIZWCRZSA-N	1	1	374.481	2.376	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000369608175	556646480	/nfs/dbraw/zinc/64/64/80/556646480.db2.gz	DBTVPTVYWWPABS-PWIZWCRZSA-N	1	1	374.481	2.376	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1	ZINC000369662218	556662704	/nfs/dbraw/zinc/66/27/04/556662704.db2.gz	GOHBKXWOESVTOZ-WZGPROSRSA-N	1	1	360.502	2.291	20	30		FEEDMO
N#CC(CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)(c1ccccc1)c1ccccc1	ZINC000516534727	562046381	/nfs/dbraw/zinc/04/63/81/562046381.db2.gz	UYIGDRPKQPOGLQ-IBGZPJMESA-N	1	1	374.444	2.122	20	30		FEEDMO
N#CC(CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)(c1ccccc1)c1ccccc1	ZINC000516534727	562046383	/nfs/dbraw/zinc/04/63/83/562046383.db2.gz	UYIGDRPKQPOGLQ-IBGZPJMESA-N	1	1	374.444	2.122	20	30		FEEDMO
C#CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](CC)C3)c1C	ZINC000370259456	556824025	/nfs/dbraw/zinc/82/40/25/556824025.db2.gz	CUYQGWYYAXDCNZ-AWEZNQCLSA-N	1	1	351.454	2.095	20	30		FEEDMO
CCCn1nccc1C1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1	ZINC000370306254	556835751	/nfs/dbraw/zinc/83/57/51/556835751.db2.gz	UONFCUXYEYVMQL-UHFFFAOYSA-N	1	1	356.474	2.128	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCCC[C@H]3[C@@H]3CNC(=O)C3)C2=O)cc1	ZINC000370500032	556892184	/nfs/dbraw/zinc/89/21/84/556892184.db2.gz	OSLGEHCLLHFWTF-WDSOQIARSA-N	1	1	366.465	2.044	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@H+]2CCOC[C@H]2C)CC1	ZINC000517214124	562079821	/nfs/dbraw/zinc/07/98/21/562079821.db2.gz	ZFFCYBABMWKHNW-HZPDHXFCSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000371509420	557205341	/nfs/dbraw/zinc/20/53/41/557205341.db2.gz	OZLXJUDSAJRHFX-QGZVFWFLSA-N	1	1	371.460	2.227	20	30		FEEDMO
CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)N2CCC(C)(C#N)CC2)C1	ZINC000371641023	557247695	/nfs/dbraw/zinc/24/76/95/557247695.db2.gz	CAMOFPMCEDKUFA-UHFFFAOYSA-N	1	1	354.454	2.155	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@]3(C2)C(=O)Nc2ccccc23)cc1	ZINC000372355008	557448217	/nfs/dbraw/zinc/44/82/17/557448217.db2.gz	FAGWPEOTWOWAKB-OAQYLSRUSA-N	1	1	360.417	2.483	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1	ZINC000372410939	557463854	/nfs/dbraw/zinc/46/38/54/557463854.db2.gz	YUKQJPCNBIPSQO-GGJQROPYSA-N	1	1	352.438	2.485	20	30		FEEDMO
CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000519318217	562129211	/nfs/dbraw/zinc/12/92/11/562129211.db2.gz	ZULVGMGPEMHTNR-OAHLLOKOSA-N	1	1	356.470	2.273	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCN(c3ncccc3F)CC2)cc1	ZINC000372609678	557520116	/nfs/dbraw/zinc/52/01/16/557520116.db2.gz	AHQPOSYQUZKVJP-QGZVFWFLSA-N	1	1	370.428	2.044	20	30		FEEDMO
O=C1NCCN1[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000372768830	557558819	/nfs/dbraw/zinc/55/88/19/557558819.db2.gz	WQVSHGQUTFFHPL-HNNXBMFYSA-N	1	1	367.371	2.426	20	30		FEEDMO
O=C1NCCN1[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000372768830	557558822	/nfs/dbraw/zinc/55/88/22/557558822.db2.gz	WQVSHGQUTFFHPL-HNNXBMFYSA-N	1	1	367.371	2.426	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)cc1	ZINC000372797577	557564287	/nfs/dbraw/zinc/56/42/87/557564287.db2.gz	BGAKHPFHJOSHBY-CVEARBPZSA-N	1	1	356.451	2.399	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1cccc(OCC#N)c1	ZINC000372863304	557578122	/nfs/dbraw/zinc/57/81/22/557578122.db2.gz	MNYJYVXIFRXMDB-UXPWSPDFSA-N	1	1	371.481	2.137	20	30		FEEDMO
N#Cc1c(F)ccc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1Cl	ZINC000372965123	557598451	/nfs/dbraw/zinc/59/84/51/557598451.db2.gz	JYHAPRAFTRPFBV-UHFFFAOYSA-N	1	1	365.836	2.422	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1	ZINC000373450664	557695894	/nfs/dbraw/zinc/69/58/94/557695894.db2.gz	AGUFYWLBLKFYLX-INIZCTEOSA-N	1	1	373.505	2.008	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@]3(CNC(=O)O3)C1)CCC2	ZINC000373674299	557736448	/nfs/dbraw/zinc/73/64/48/557736448.db2.gz	PCMNNRUROROWBT-GOSISDBHSA-N	1	1	374.466	2.011	20	30		FEEDMO
CN(C)c1noc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)n1	ZINC000373827541	557767957	/nfs/dbraw/zinc/76/79/57/557767957.db2.gz	WVKRKDPCVBBBKC-OAHLLOKOSA-N	1	1	354.414	2.173	20	30		FEEDMO
CN(C)c1noc([C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)n1	ZINC000373827541	557767959	/nfs/dbraw/zinc/76/79/59/557767959.db2.gz	WVKRKDPCVBBBKC-OAHLLOKOSA-N	1	1	354.414	2.173	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000373965155	557797964	/nfs/dbraw/zinc/79/79/64/557797964.db2.gz	NVJHDYZMNAWXKK-VAMGGRTRSA-N	1	1	366.465	2.139	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCCc2cccc(C#N)c2)C[C@@H](C)O1	ZINC000374265172	557854724	/nfs/dbraw/zinc/85/47/24/557854724.db2.gz	MOROSTARIZMEQS-HLIPFELVSA-N	1	1	370.497	2.384	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1	ZINC000374307722	557862874	/nfs/dbraw/zinc/86/28/74/557862874.db2.gz	IGHOHYZXQNQWOH-ZWKOTPCHSA-N	1	1	365.433	2.160	20	30		FEEDMO
C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1	ZINC000374382679	557875415	/nfs/dbraw/zinc/87/54/15/557875415.db2.gz	BHGYEZPZSSQRQH-LJQANCHMSA-N	1	1	356.466	2.206	20	30		FEEDMO
C#CCOc1ccccc1C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1	ZINC000374382679	557875417	/nfs/dbraw/zinc/87/54/17/557875417.db2.gz	BHGYEZPZSSQRQH-LJQANCHMSA-N	1	1	356.466	2.206	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1	ZINC000374456261	557886426	/nfs/dbraw/zinc/88/64/26/557886426.db2.gz	KALRESBLJVKCKG-CVEARBPZSA-N	1	1	367.519	2.370	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)CCCCC1	ZINC000374557856	557899678	/nfs/dbraw/zinc/89/96/78/557899678.db2.gz	RYXUIQUIRMTSIW-HXUWFJFHSA-N	1	1	355.482	2.355	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)CCCCC1	ZINC000374557856	557899680	/nfs/dbraw/zinc/89/96/80/557899680.db2.gz	RYXUIQUIRMTSIW-HXUWFJFHSA-N	1	1	355.482	2.355	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1	ZINC000375011516	557963881	/nfs/dbraw/zinc/96/38/81/557963881.db2.gz	GPIKQVHBMOHXJY-MSOLQXFVSA-N	1	1	362.495	2.471	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1	ZINC000375011516	557963882	/nfs/dbraw/zinc/96/38/82/557963882.db2.gz	GPIKQVHBMOHXJY-MSOLQXFVSA-N	1	1	362.495	2.471	20	30		FEEDMO
C[C@H]1CC[S@](=O)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000375413394	558023038	/nfs/dbraw/zinc/02/30/38/558023038.db2.gz	GWJCADDSQYHMOF-MYODQAERSA-N	1	1	353.875	2.383	20	30		FEEDMO
C[C@H]1CC[S@](=O)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000375413394	558023039	/nfs/dbraw/zinc/02/30/39/558023039.db2.gz	GWJCADDSQYHMOF-MYODQAERSA-N	1	1	353.875	2.383	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1	ZINC000375459707	558030960	/nfs/dbraw/zinc/03/09/60/558030960.db2.gz	LMLANGCEKKXEGM-CGTJXYLNSA-N	1	1	358.486	2.059	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1	ZINC000376132098	558131183	/nfs/dbraw/zinc/13/11/83/558131183.db2.gz	XRPQSRVPZIIRFT-UHFFFAOYSA-N	1	1	356.445	2.292	20	30		FEEDMO
N#CCCCOc1cccnc1NC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1	ZINC000376407718	558169524	/nfs/dbraw/zinc/16/95/24/558169524.db2.gz	IVRXLZMONRRSCH-JKSUJKDBSA-N	1	1	373.457	2.139	20	30		FEEDMO
N#CCCCOc1cccnc1NC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1	ZINC000376407718	558169525	/nfs/dbraw/zinc/16/95/25/558169525.db2.gz	IVRXLZMONRRSCH-JKSUJKDBSA-N	1	1	373.457	2.139	20	30		FEEDMO
CC[N@@H+](C)CCNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1	ZINC000376708490	558211812	/nfs/dbraw/zinc/21/18/12/558211812.db2.gz	CAGLONVJXFWRIB-UHFFFAOYSA-N	1	1	350.413	2.121	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1	ZINC000376837121	558227989	/nfs/dbraw/zinc/22/79/89/558227989.db2.gz	ROAWPSMZMPSBLF-WBVHZDCISA-N	1	1	358.442	2.141	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1	ZINC000377360226	558324560	/nfs/dbraw/zinc/32/45/60/558324560.db2.gz	XUDUOQWDPGDWPO-YSIASYRMSA-N	1	1	357.502	2.061	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3[C@H](C)C[N@@H+](CC)C[C@@H]3C)cc2C1=O	ZINC000522030721	562189716	/nfs/dbraw/zinc/18/97/16/562189716.db2.gz	NSVFUHGONJVTHB-OKILXGFUSA-N	1	1	355.438	2.023	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CC(N)=O)C1	ZINC000377555948	558363336	/nfs/dbraw/zinc/36/33/36/558363336.db2.gz	XNWVGFCDWXTZCC-KBPBESRZSA-N	1	1	360.483	2.074	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CC(N)=O)C1	ZINC000377555948	558363338	/nfs/dbraw/zinc/36/33/38/558363338.db2.gz	XNWVGFCDWXTZCC-KBPBESRZSA-N	1	1	360.483	2.074	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCCN1c1cccnn1	ZINC000377565431	558365822	/nfs/dbraw/zinc/36/58/22/558365822.db2.gz	KFUJRUMCAQDDNX-CRAIPNDOSA-N	1	1	364.453	2.276	20	30		FEEDMO
N#CC1(NC(=O)CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1	ZINC000377771262	558416610	/nfs/dbraw/zinc/41/66/10/558416610.db2.gz	FPLHVLNAVRRDQG-MOPGFXCFSA-N	1	1	352.482	2.003	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)S(=O)(=O)CCC(C)(C)C#N	ZINC000377859481	558436579	/nfs/dbraw/zinc/43/65/79/558436579.db2.gz	HVAAAOXMASZKLD-IRXDYDNUSA-N	1	1	364.515	2.276	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCn3c(nnc3-c3cccnc3)C2)cc1	ZINC000378182314	558497731	/nfs/dbraw/zinc/49/77/31/558497731.db2.gz	KDQWOUPAIDQZCP-UHFFFAOYSA-N	1	1	373.420	2.056	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCn3c(nnc3-c3cccnc3)C2)cc1	ZINC000378182314	558497734	/nfs/dbraw/zinc/49/77/34/558497734.db2.gz	KDQWOUPAIDQZCP-UHFFFAOYSA-N	1	1	373.420	2.056	20	30		FEEDMO
C=CCOCCNC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1	ZINC000378592224	558590301	/nfs/dbraw/zinc/59/03/01/558590301.db2.gz	TYYPEIWXKQRASC-UHFFFAOYSA-N	1	1	366.531	2.419	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000389879668	558610176	/nfs/dbraw/zinc/61/01/76/558610176.db2.gz	NMZWXXXQYGBVLV-OXJNMPFZSA-N	1	1	369.490	2.498	20	30		FEEDMO
CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1cncc(C#N)c1	ZINC000398169457	558626001	/nfs/dbraw/zinc/62/60/01/558626001.db2.gz	NWHDTNWJRXTZED-LJQANCHMSA-N	1	1	372.494	2.388	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1	ZINC000409479244	558695575	/nfs/dbraw/zinc/69/55/75/558695575.db2.gz	PTZZITIQJHBRHD-HZPDHXFCSA-N	1	1	370.906	2.155	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1	ZINC000409479244	558695578	/nfs/dbraw/zinc/69/55/78/558695578.db2.gz	PTZZITIQJHBRHD-HZPDHXFCSA-N	1	1	370.906	2.155	20	30		FEEDMO
CC(C)C1CCC([NH+]2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)CC1	ZINC000409485953	558696367	/nfs/dbraw/zinc/69/63/67/558696367.db2.gz	PVPKUIWNQOTNNC-AOCRQIFASA-N	1	1	370.563	2.155	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)C1=O	ZINC000410394523	558755062	/nfs/dbraw/zinc/75/50/62/558755062.db2.gz	YZJQMGBRSQWZRL-HOCLYGCPSA-N	1	1	372.387	2.164	20	30		FEEDMO
C[C@@H](C#N)CN(C)C(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1	ZINC000410900377	558821091	/nfs/dbraw/zinc/82/10/91/558821091.db2.gz	QMMUHAILIPXDQP-IRXDYDNUSA-N	1	1	362.518	2.108	20	30		FEEDMO
Cc1cc(NCC2([NH+]3CCOCC3)CCOCC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413419061	559106589	/nfs/dbraw/zinc/10/65/89/559106589.db2.gz	YORGFHQJQCNAKN-UHFFFAOYSA-N	1	1	360.414	2.068	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cn(CCCC#N)c2ccccc12	ZINC000416299203	559303715	/nfs/dbraw/zinc/30/37/15/559303715.db2.gz	CNWHXRBAJGYOJA-IAGOWNOFSA-N	1	1	368.481	2.472	20	30		FEEDMO
C=CCC[C@@H]1NC(=O)N(CCC[NH+]2CCN(Cc3ccccc3)CC2)C1=O	ZINC000419923128	559464787	/nfs/dbraw/zinc/46/47/87/559464787.db2.gz	KYOWWWHCOXLAKB-IBGZPJMESA-N	1	1	370.497	2.081	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)NCc1ccc(C#N)s1)[NH+]1CCOCC1	ZINC000420765092	559503059	/nfs/dbraw/zinc/50/30/59/559503059.db2.gz	QAUIHXKMVSKXQG-CQSZACIVSA-N	1	1	350.488	2.166	20	30		FEEDMO
C[C@H]1C[C@H](CO)C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000420943020	559513355	/nfs/dbraw/zinc/51/33/55/559513355.db2.gz	PKMHLGJVAWUPJP-HOCLYGCPSA-N	1	1	368.399	2.123	20	30		FEEDMO
C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000421032464	559520944	/nfs/dbraw/zinc/52/09/44/559520944.db2.gz	WSYRIRPJCFPHIY-CRAIPNDOSA-N	1	1	371.481	2.474	20	30		FEEDMO
C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000421032464	559520945	/nfs/dbraw/zinc/52/09/45/559520945.db2.gz	WSYRIRPJCFPHIY-CRAIPNDOSA-N	1	1	371.481	2.474	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C#N)cn1CC	ZINC000421180862	559529403	/nfs/dbraw/zinc/52/94/03/559529403.db2.gz	GSKQPZRIZDJAKV-GOOCMWNKSA-N	1	1	373.457	2.303	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000421303390	559537473	/nfs/dbraw/zinc/53/74/73/559537473.db2.gz	SAMOJOSPRDDSML-AWEZNQCLSA-N	1	1	360.483	2.183	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCc2ccc(C#N)s2)C[C@@H](C)O1	ZINC000422220215	559572124	/nfs/dbraw/zinc/57/21/24/559572124.db2.gz	RVVNIBSHESDONB-KFWWJZLASA-N	1	1	362.499	2.403	20	30		FEEDMO
CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NCC(C)(C)CC#N	ZINC000422396018	559584857	/nfs/dbraw/zinc/58/48/57/559584857.db2.gz	HWWPPJBESXRTMJ-GOSISDBHSA-N	1	1	372.513	2.315	20	30		FEEDMO
C[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000422432650	559587940	/nfs/dbraw/zinc/58/79/40/559587940.db2.gz	XMHKEXRLVPDTLO-FUHWJXTLSA-N	1	1	370.497	2.069	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000424499901	559667736	/nfs/dbraw/zinc/66/77/36/559667736.db2.gz	HEZMRVLNPQZOHK-CABCVRRESA-N	1	1	364.408	2.081	20	30		FEEDMO
C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)n1cccn1	ZINC000424566431	559669513	/nfs/dbraw/zinc/66/95/13/559669513.db2.gz	PWIUZNQPFFIQCU-KRWDZBQOSA-N	1	1	351.454	2.440	20	30		FEEDMO
C=CCC1(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CCOCC1	ZINC000424591034	559670461	/nfs/dbraw/zinc/67/04/61/559670461.db2.gz	MVSOJRHQWXNLGK-UHFFFAOYSA-N	1	1	371.525	2.423	20	30		FEEDMO
COCC(C)(C)[NH+]1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1	ZINC000424991860	559682514	/nfs/dbraw/zinc/68/25/14/559682514.db2.gz	PXCQDCVVABYJTO-UHFFFAOYSA-N	1	1	370.375	2.155	20	30		FEEDMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c1	ZINC000425445608	559702619	/nfs/dbraw/zinc/70/26/19/559702619.db2.gz	OBDGTIHULLKVRC-FUHWJXTLSA-N	1	1	374.485	2.135	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nn1	ZINC000425567400	559710082	/nfs/dbraw/zinc/71/00/82/559710082.db2.gz	SJSXUDJXARFZRW-WMLDXEAASA-N	1	1	374.514	2.408	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C	ZINC000425864545	559723225	/nfs/dbraw/zinc/72/32/25/559723225.db2.gz	NOTJWIBUUZZXDK-WMLDXEAASA-N	1	1	368.437	2.090	20	30		FEEDMO
C=CCn1cc(CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000425883636	559723825	/nfs/dbraw/zinc/72/38/25/559723825.db2.gz	VUCLEEUWSQXMRA-IBGZPJMESA-N	1	1	368.485	2.270	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000425886180	559724028	/nfs/dbraw/zinc/72/40/28/559724028.db2.gz	PWMLZQNOXNQJJV-SJLPKXTDSA-N	1	1	370.497	2.314	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000425908511	559724945	/nfs/dbraw/zinc/72/49/45/559724945.db2.gz	IFZLTQPFHYAGNY-HNAYVOBHSA-N	1	1	368.481	2.211	20	30		FEEDMO
CC(C)(CNS(=O)(=O)c1cccnc1C#N)[N@@H+]1CCc2ccccc2C1	ZINC000428238188	559772045	/nfs/dbraw/zinc/77/20/45/559772045.db2.gz	KWIAYKSQKOEBGX-UHFFFAOYSA-N	1	1	370.478	2.068	20	30		FEEDMO
CC(C)(CNS(=O)(=O)c1cccnc1C#N)[N@H+]1CCc2ccccc2C1	ZINC000428238188	559772046	/nfs/dbraw/zinc/77/20/46/559772046.db2.gz	KWIAYKSQKOEBGX-UHFFFAOYSA-N	1	1	370.478	2.068	20	30		FEEDMO
CCc1ccc([C@@H](CNS(=O)(=O)c2cccnc2C#N)[NH+](C)C)cc1	ZINC000428241697	559772092	/nfs/dbraw/zinc/77/20/92/559772092.db2.gz	RNXAPMWCVBFAPJ-QGZVFWFLSA-N	1	1	358.467	2.097	20	30		FEEDMO
C=CC[C@@H](CO)CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000429036844	559789393	/nfs/dbraw/zinc/78/93/93/559789393.db2.gz	UVDBFSYWYIZJJJ-MSOLQXFVSA-N	1	1	363.527	2.088	20	30		FEEDMO
C=CC[C@@H](CO)CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429036844	559789394	/nfs/dbraw/zinc/78/93/94/559789394.db2.gz	UVDBFSYWYIZJJJ-MSOLQXFVSA-N	1	1	363.527	2.088	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)c3cscc3C#N)cc2)CC1	ZINC000432704962	559863225	/nfs/dbraw/zinc/86/32/25/559863225.db2.gz	FBRAZOPPUDCUNH-UHFFFAOYSA-N	1	1	354.479	2.297	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c(F)c1	ZINC000434778284	559909165	/nfs/dbraw/zinc/90/91/65/559909165.db2.gz	WIBRXKZPRKKTQD-MRXNPFEDSA-N	1	1	351.447	2.134	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c(-c2ccncc2)n1	ZINC000434985209	559913953	/nfs/dbraw/zinc/91/39/53/559913953.db2.gz	GZQJQBBIOVQAGD-MRXNPFEDSA-N	1	1	365.359	2.358	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(-c2ccncc2)n1	ZINC000434985209	559913954	/nfs/dbraw/zinc/91/39/54/559913954.db2.gz	GZQJQBBIOVQAGD-MRXNPFEDSA-N	1	1	365.359	2.358	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)CC2)CCO1	ZINC000435012374	559914294	/nfs/dbraw/zinc/91/42/94/559914294.db2.gz	PNCIDEITTHSBBB-INIZCTEOSA-N	1	1	353.466	2.302	20	30		FEEDMO
C=CCOc1ccccc1C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1	ZINC000435042436	559914949	/nfs/dbraw/zinc/91/49/49/559914949.db2.gz	MWXSDLRIBAXBAQ-KRWDZBQOSA-N	1	1	350.484	2.251	20	30		FEEDMO
C=CCOc1ccccc1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1	ZINC000435042436	559914950	/nfs/dbraw/zinc/91/49/50/559914950.db2.gz	MWXSDLRIBAXBAQ-KRWDZBQOSA-N	1	1	350.484	2.251	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)s1	ZINC000435442446	559923154	/nfs/dbraw/zinc/92/31/54/559923154.db2.gz	INCOKTWUVCPRNE-UHFFFAOYSA-N	1	1	361.492	2.346	20	30		FEEDMO
CSCCC[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000439472619	559994776	/nfs/dbraw/zinc/99/47/76/559994776.db2.gz	SPJOSLDIIABLGS-OAHLLOKOSA-N	1	1	366.556	2.142	20	30		FEEDMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@H]1C	ZINC000441088754	560023432	/nfs/dbraw/zinc/02/34/32/560023432.db2.gz	QSAHWHCEUDEPIS-CABCVRRESA-N	1	1	372.469	2.225	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@H]1C	ZINC000441088754	560023433	/nfs/dbraw/zinc/02/34/33/560023433.db2.gz	QSAHWHCEUDEPIS-CABCVRRESA-N	1	1	372.469	2.225	20	30		FEEDMO
Cc1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N	ZINC000443089033	560070222	/nfs/dbraw/zinc/07/02/22/560070222.db2.gz	UDKACBLSHXYRGW-QGZVFWFLSA-N	1	1	355.463	2.420	20	30		FEEDMO
Cc1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N	ZINC000443089033	560070223	/nfs/dbraw/zinc/07/02/23/560070223.db2.gz	UDKACBLSHXYRGW-QGZVFWFLSA-N	1	1	355.463	2.420	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C	ZINC000443239198	560075890	/nfs/dbraw/zinc/07/58/90/560075890.db2.gz	HKLYADHHOZZTHT-MFKMUULPSA-N	1	1	361.389	2.338	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@@H]1C	ZINC000443353915	560081695	/nfs/dbraw/zinc/08/16/95/560081695.db2.gz	DMQWHWFMEGWQQW-SWLSCSKDSA-N	1	1	362.861	2.481	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@H+]1C	ZINC000443468402	560084624	/nfs/dbraw/zinc/08/46/24/560084624.db2.gz	OCNIYGBAYGSSFN-GXFFZTMASA-N	1	1	372.288	2.082	20	30		FEEDMO
COCC[NH+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1	ZINC000444218842	560105920	/nfs/dbraw/zinc/10/59/20/560105920.db2.gz	WKCBFGIKLWGNPE-UHFFFAOYSA-N	1	1	354.454	2.349	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cc(C#N)[nH]c2C)CC1	ZINC000448694743	560194678	/nfs/dbraw/zinc/19/46/78/560194678.db2.gz	PPZLNYXOBBLQDY-UHFFFAOYSA-N	1	1	365.481	2.262	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000448943542	560208252	/nfs/dbraw/zinc/20/82/52/560208252.db2.gz	XJYPWQRLMFQOFM-UHFFFAOYSA-N	1	1	358.486	2.440	20	30		FEEDMO
CCOC(=O)[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC12COC2	ZINC000449367537	560227486	/nfs/dbraw/zinc/22/74/86/560227486.db2.gz	WYDHJTSHDMZOKP-SFHVURJKSA-N	1	1	358.438	2.381	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)COc1ccc(C#N)c(Br)c1	ZINC000450346688	560259313	/nfs/dbraw/zinc/25/93/13/560259313.db2.gz	FPFQZWZHMHQFSB-NWDGAFQWSA-N	1	1	366.259	2.251	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNc2ncc(Br)cc2C#N)CCCO1	ZINC000450488036	560263857	/nfs/dbraw/zinc/26/38/57/560263857.db2.gz	ODLIORHXDDUWMJ-LBPRGKRZSA-N	1	1	353.264	2.629	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1	ZINC000451026985	560283031	/nfs/dbraw/zinc/28/30/31/560283031.db2.gz	MCDGWSMRSFJSOE-IAGOWNOFSA-N	1	1	360.502	2.414	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000451172466	560291247	/nfs/dbraw/zinc/29/12/47/560291247.db2.gz	WSNFSZKUQCWWPE-INIZCTEOSA-N	1	1	374.485	2.463	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000451172466	560291248	/nfs/dbraw/zinc/29/12/48/560291248.db2.gz	WSNFSZKUQCWWPE-INIZCTEOSA-N	1	1	374.485	2.463	20	30		FEEDMO
CC[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000451253354	560296053	/nfs/dbraw/zinc/29/60/53/560296053.db2.gz	JNWGCEWMFDTREN-WBVHZDCISA-N	1	1	368.399	2.266	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1	ZINC000451301509	560298950	/nfs/dbraw/zinc/29/89/50/560298950.db2.gz	NOMHEESBUBHNOB-WTGUMLROSA-N	1	1	361.482	2.017	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1cccc(CN2CCSCC2)c1	ZINC000451606371	560317161	/nfs/dbraw/zinc/31/71/61/560317161.db2.gz	IASFXYOIIOAVAV-MSOLQXFVSA-N	1	1	361.511	2.107	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1CS(C)(=O)=O	ZINC000451662629	560320543	/nfs/dbraw/zinc/32/05/43/560320543.db2.gz	VYFAEIZRZSAVTG-MSOLQXFVSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O	ZINC000451662629	560320544	/nfs/dbraw/zinc/32/05/44/560320544.db2.gz	VYFAEIZRZSAVTG-MSOLQXFVSA-N	1	1	367.511	2.054	20	30		FEEDMO
CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000451930889	560338646	/nfs/dbraw/zinc/33/86/46/560338646.db2.gz	ASEJLPUFUKWELI-IAGOWNOFSA-N	1	1	365.861	2.289	20	30		FEEDMO
CC(C)OCCOC1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000451956181	560340526	/nfs/dbraw/zinc/34/05/26/560340526.db2.gz	NMFNUPAKIMMWFL-LPHOPBHVSA-N	1	1	353.507	2.335	20	30		FEEDMO
C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1	ZINC000452033379	560346795	/nfs/dbraw/zinc/34/67/95/560346795.db2.gz	CDWXEXZKCMZGAE-INIZCTEOSA-N	1	1	371.403	2.256	20	30		FEEDMO
N#CC(CC[N@H+]1CCOC[C@H]1CC(N)=O)(c1ccccc1)c1ccccc1	ZINC000452080928	560349948	/nfs/dbraw/zinc/34/99/48/560349948.db2.gz	HTXCFNULQGXSJX-HXUWFJFHSA-N	1	1	363.461	2.463	20	30		FEEDMO
N#CC(CC[N@@H+]1CCOC[C@H]1CC(N)=O)(c1ccccc1)c1ccccc1	ZINC000452080928	560349949	/nfs/dbraw/zinc/34/99/49/560349949.db2.gz	HTXCFNULQGXSJX-HXUWFJFHSA-N	1	1	363.461	2.463	20	30		FEEDMO
C=CCn1c([C@@H]2CCCO2)nnc1N1CC[N@@H+](CCOC)[C@@H](CCC)C1	ZINC000453425642	560386412	/nfs/dbraw/zinc/38/64/12/560386412.db2.gz	NQEFGUHVLCCGKU-IRXDYDNUSA-N	1	1	363.506	2.253	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000453467478	560387492	/nfs/dbraw/zinc/38/74/92/560387492.db2.gz	QUQKJONCQULDRA-BBWFWOEESA-N	1	1	363.506	2.251	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000453467478	560387493	/nfs/dbraw/zinc/38/74/93/560387493.db2.gz	QUQKJONCQULDRA-BBWFWOEESA-N	1	1	363.506	2.251	20	30		FEEDMO
CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453652733	560393601	/nfs/dbraw/zinc/39/36/01/560393601.db2.gz	OQRIBNWXYXGRQC-MRXNPFEDSA-N	1	1	362.861	2.143	20	30		FEEDMO
CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453652733	560393602	/nfs/dbraw/zinc/39/36/02/560393602.db2.gz	OQRIBNWXYXGRQC-MRXNPFEDSA-N	1	1	362.861	2.143	20	30		FEEDMO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000453675740	560395718	/nfs/dbraw/zinc/39/57/18/560395718.db2.gz	SEIKUMWNQOKZEL-QFBILLFUSA-N	1	1	366.465	2.166	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000453712753	560398825	/nfs/dbraw/zinc/39/88/25/560398825.db2.gz	HQPBWTACEXNGOZ-YOEHRIQHSA-N	1	1	374.872	2.287	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1	ZINC000453933886	560414393	/nfs/dbraw/zinc/41/43/93/560414393.db2.gz	BFTUSHNFBCQNNY-MOPGFXCFSA-N	1	1	371.481	2.112	20	30		FEEDMO
CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000453981048	560419074	/nfs/dbraw/zinc/41/90/74/560419074.db2.gz	RUGUMLZAEORHFU-MRXNPFEDSA-N	1	1	372.469	2.227	20	30		FEEDMO
CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000453981048	560419075	/nfs/dbraw/zinc/41/90/75/560419075.db2.gz	RUGUMLZAEORHFU-MRXNPFEDSA-N	1	1	372.469	2.227	20	30		FEEDMO
C[N@@H+](CCCCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000455616033	560489353	/nfs/dbraw/zinc/48/93/53/560489353.db2.gz	OTHQUAHWCROQOW-UHFFFAOYSA-N	1	1	369.513	2.260	20	30		FEEDMO
N#CCc1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(Cl)c1	ZINC000455735237	560493264	/nfs/dbraw/zinc/49/32/64/560493264.db2.gz	QEVAYKKBMRQOFJ-AWEZNQCLSA-N	1	1	350.850	2.374	20	30		FEEDMO
CC(C)[C@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)N1CC[NH+](C)CC1	ZINC000455762208	560494252	/nfs/dbraw/zinc/49/42/52/560494252.db2.gz	YPXGCBJXZKOVLV-INIZCTEOSA-N	1	1	364.881	2.000	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO	ZINC000458663973	560639256	/nfs/dbraw/zinc/63/92/56/560639256.db2.gz	VBGOQRXXOPDHKG-GOSISDBHSA-N	1	1	358.486	2.382	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@@H]1c1ccccc1	ZINC000459556844	560694059	/nfs/dbraw/zinc/69/40/59/560694059.db2.gz	ZTRWFCKVDWWGOY-NWUWZPLHSA-N	1	1	371.481	2.318	20	30		FEEDMO
CCNC(=O)C(C)(C)[NH2+]CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000459556630	560694121	/nfs/dbraw/zinc/69/41/21/560694121.db2.gz	AXNKHYWFMYBHLU-UHFFFAOYSA-N	1	1	364.877	2.399	20	30		FEEDMO
CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000459585152	560696146	/nfs/dbraw/zinc/69/61/46/560696146.db2.gz	OUGWQIQOQJXVAU-OXJNMPFZSA-N	1	1	360.454	2.352	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1	ZINC000459861445	560714470	/nfs/dbraw/zinc/71/44/70/560714470.db2.gz	KIXWWNSRAPLVTH-BETUJISGSA-N	1	1	369.918	2.467	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1	ZINC000459861445	560714471	/nfs/dbraw/zinc/71/44/71/560714471.db2.gz	KIXWWNSRAPLVTH-BETUJISGSA-N	1	1	369.918	2.467	20	30		FEEDMO
C[C@H]1C[NH+](CCCCNS(=O)(=O)CC2(C#N)CCCCC2)C[C@H](C)O1	ZINC000460475281	560744334	/nfs/dbraw/zinc/74/43/34/560744334.db2.gz	YKPCEZCGZRUMQM-IRXDYDNUSA-N	1	1	371.547	2.269	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1	ZINC000461314527	560766528	/nfs/dbraw/zinc/76/65/28/560766528.db2.gz	WTZZREVJCKSVTF-MRXNPFEDSA-N	1	1	374.448	2.906	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1	ZINC000461314527	560766529	/nfs/dbraw/zinc/76/65/29/560766529.db2.gz	WTZZREVJCKSVTF-MRXNPFEDSA-N	1	1	374.448	2.906	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1	ZINC000461314526	560766595	/nfs/dbraw/zinc/76/65/95/560766595.db2.gz	WTZZREVJCKSVTF-INIZCTEOSA-N	1	1	374.448	2.906	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1	ZINC000461314526	560766596	/nfs/dbraw/zinc/76/65/96/560766596.db2.gz	WTZZREVJCKSVTF-INIZCTEOSA-N	1	1	374.448	2.906	20	30		FEEDMO
C[N@@H+](CCOc1cccc(CNC(=O)CCCC#N)c1)C1CCOCC1	ZINC000462039686	560793862	/nfs/dbraw/zinc/79/38/62/560793862.db2.gz	JYWZUXHXKMGDPG-UHFFFAOYSA-N	1	1	359.470	2.486	20	30		FEEDMO
C[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1cccc(C#N)c1	ZINC000462270432	560803746	/nfs/dbraw/zinc/80/37/46/560803746.db2.gz	NSDKBQBDODGHMZ-DQLDELGASA-N	1	1	363.461	2.413	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1	ZINC000463449020	560815127	/nfs/dbraw/zinc/81/51/27/560815127.db2.gz	JKMMRWHLECDPRI-UNMCSNQZSA-N	1	1	363.461	2.402	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1	ZINC000463449020	560815129	/nfs/dbraw/zinc/81/51/29/560815129.db2.gz	JKMMRWHLECDPRI-UNMCSNQZSA-N	1	1	363.461	2.402	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C	ZINC000463698631	560821662	/nfs/dbraw/zinc/82/16/62/560821662.db2.gz	CXXRQZMPNBWJEJ-AWEZNQCLSA-N	1	1	365.480	2.210	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000464493946	560843433	/nfs/dbraw/zinc/84/34/33/560843433.db2.gz	HTNNRQPLPQUYTB-JTDSTZFVSA-N	1	1	351.491	2.483	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000464493946	560843434	/nfs/dbraw/zinc/84/34/34/560843434.db2.gz	HTNNRQPLPQUYTB-JTDSTZFVSA-N	1	1	351.491	2.483	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000467022458	560901766	/nfs/dbraw/zinc/90/17/66/560901766.db2.gz	IOSAOSGOWRJFBK-YOEHRIQHSA-N	1	1	357.454	2.325	20	30		FEEDMO
CCc1ccc(C[NH+]2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)s1	ZINC000469598508	560959293	/nfs/dbraw/zinc/95/92/93/560959293.db2.gz	IQHVWKQTAVQZCE-OAHLLOKOSA-N	1	1	360.527	2.379	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C1	ZINC000469769201	560963980	/nfs/dbraw/zinc/96/39/80/560963980.db2.gz	NSPROWLZRREBCG-DMUMMCEESA-N	1	1	366.550	2.156	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000470170411	560975991	/nfs/dbraw/zinc/97/59/91/560975991.db2.gz	UMZVTXIHFNKFKC-GOSISDBHSA-N	1	1	357.502	2.479	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1	ZINC000471065887	560997466	/nfs/dbraw/zinc/99/74/66/560997466.db2.gz	KUBMOOQCRDPLJY-MOPGFXCFSA-N	1	1	370.497	2.257	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1	ZINC000471065887	560997467	/nfs/dbraw/zinc/99/74/67/560997467.db2.gz	KUBMOOQCRDPLJY-MOPGFXCFSA-N	1	1	370.497	2.257	20	30		FEEDMO
N#CC1(CS(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCC1	ZINC000474573395	561077199	/nfs/dbraw/zinc/07/71/99/561077199.db2.gz	FXPSDGXTZFXKSI-HNNXBMFYSA-N	1	1	351.472	2.420	20	30		FEEDMO
C=CCCC1(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1	ZINC000474914785	561085279	/nfs/dbraw/zinc/08/52/79/561085279.db2.gz	RCPDNXBESGSPCY-UHFFFAOYSA-N	1	1	355.482	2.437	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@H]1C	ZINC000476610402	561124169	/nfs/dbraw/zinc/12/41/69/561124169.db2.gz	WTZWVOBWIVWROU-SJLPKXTDSA-N	1	1	357.454	2.170	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@H]1C	ZINC000476610402	561124170	/nfs/dbraw/zinc/12/41/70/561124170.db2.gz	WTZWVOBWIVWROU-SJLPKXTDSA-N	1	1	357.454	2.170	20	30		FEEDMO
C[C@@H]1[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCC12CCOCC2	ZINC000528447184	562329861	/nfs/dbraw/zinc/32/98/61/562329861.db2.gz	XGURWPKLEUYNQV-INIZCTEOSA-N	1	1	352.434	2.177	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1F	ZINC000528480468	562331619	/nfs/dbraw/zinc/33/16/19/562331619.db2.gz	ZXMSLWSSORACOC-HNNXBMFYSA-N	1	1	351.447	2.383	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@@H+]([C@@H]3CCN(C4CCCCC4)C3=O)C2)nc1	ZINC000528508647	562333035	/nfs/dbraw/zinc/33/30/35/562333035.db2.gz	RVLAQPYELUHBFS-ZWKOTPCHSA-N	1	1	354.454	2.340	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+]([C@@H]3CCN(C4CCCCC4)C3=O)C2)nc1	ZINC000528508647	562333036	/nfs/dbraw/zinc/33/30/36/562333036.db2.gz	RVLAQPYELUHBFS-ZWKOTPCHSA-N	1	1	354.454	2.340	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1	ZINC000528643524	562340091	/nfs/dbraw/zinc/34/00/91/562340091.db2.gz	ZFLJWZBRRKVVJE-GOSISDBHSA-N	1	1	357.454	2.140	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H]3c3ccc(=O)[nH]n3)C2=O)cc1	ZINC000528785168	562347594	/nfs/dbraw/zinc/34/75/94/562347594.db2.gz	AQEKTOKCAKDZNX-QZTJIDSGSA-N	1	1	363.421	2.386	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H]3c3ccc(=O)[nH]n3)C2=O)cc1	ZINC000528785168	562347595	/nfs/dbraw/zinc/34/75/95/562347595.db2.gz	AQEKTOKCAKDZNX-QZTJIDSGSA-N	1	1	363.421	2.386	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Nc2cccc(C#N)n2)cc1	ZINC000529120380	562361356	/nfs/dbraw/zinc/36/13/56/562361356.db2.gz	DJLABURVCCOACG-MRXNPFEDSA-N	1	1	351.410	2.358	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Nc2cccc(C#N)n2)cc1	ZINC000529120380	562361357	/nfs/dbraw/zinc/36/13/57/562361357.db2.gz	DJLABURVCCOACG-MRXNPFEDSA-N	1	1	351.410	2.358	20	30		FEEDMO
CC1CC(C#N)(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)C1	ZINC000531808005	562457304	/nfs/dbraw/zinc/45/73/04/562457304.db2.gz	HOEJJUUSACGCAV-CZDRUDQFSA-N	1	1	354.454	2.262	20	30		FEEDMO
CO[C@H](C)C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C	ZINC000532970477	562494223	/nfs/dbraw/zinc/49/42/23/562494223.db2.gz	MXUOROFFVQGRSE-OAHLLOKOSA-N	1	1	355.442	2.428	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1	ZINC000533304157	562504389	/nfs/dbraw/zinc/50/43/89/562504389.db2.gz	UGGSYJZZOYNLLE-GJZGRUSLSA-N	1	1	374.510	2.335	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1	ZINC000533304157	562504390	/nfs/dbraw/zinc/50/43/90/562504390.db2.gz	UGGSYJZZOYNLLE-GJZGRUSLSA-N	1	1	374.510	2.335	20	30		FEEDMO
Cc1ccncc1N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1	ZINC000534643863	562539057	/nfs/dbraw/zinc/53/90/57/562539057.db2.gz	NLJGOOFLWZXOLD-UHFFFAOYSA-N	1	1	355.467	2.474	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000534862527	562544221	/nfs/dbraw/zinc/54/42/21/562544221.db2.gz	OHCPOOOLOHUZMJ-QAPCUYQASA-N	1	1	372.444	2.158	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000534862527	562544222	/nfs/dbraw/zinc/54/42/22/562544222.db2.gz	OHCPOOOLOHUZMJ-QAPCUYQASA-N	1	1	372.444	2.158	20	30		FEEDMO
Cn1cc[nH+]c1[C@@H]1CCN(CC(=O)Nc2ccccc2SCC#N)C1	ZINC000535314807	562555858	/nfs/dbraw/zinc/55/58/58/562555858.db2.gz	RRIWOYLHKYGBOT-CQSZACIVSA-N	1	1	355.467	2.464	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1	ZINC000535822497	562568911	/nfs/dbraw/zinc/56/89/11/562568911.db2.gz	HSOWJWHKGQNEST-INIZCTEOSA-N	1	1	364.453	2.400	20	30		FEEDMO
N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)s1	ZINC000536434017	562575457	/nfs/dbraw/zinc/57/54/57/562575457.db2.gz	UNPPWLCGCGNVIW-WBVHZDCISA-N	1	1	355.463	2.233	20	30		FEEDMO
C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000541243871	562607057	/nfs/dbraw/zinc/60/70/57/562607057.db2.gz	UOWGYBXOHVEDOF-GFCCVEGCSA-N	1	1	371.359	2.406	20	30		FEEDMO
N#CCC1CCN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1	ZINC000541914088	562623272	/nfs/dbraw/zinc/62/32/72/562623272.db2.gz	JFERUZDANPWQQI-UHFFFAOYSA-N	1	1	356.470	2.354	20	30		FEEDMO
O=C(NC1CC1)N[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000545506240	562628402	/nfs/dbraw/zinc/62/84/02/562628402.db2.gz	SKBLRUGXNHZSDJ-HNNXBMFYSA-N	1	1	367.371	2.473	20	30		FEEDMO
O=C(NC1CC1)N[C@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000545506240	562628403	/nfs/dbraw/zinc/62/84/03/562628403.db2.gz	SKBLRUGXNHZSDJ-HNNXBMFYSA-N	1	1	367.371	2.473	20	30		FEEDMO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2CCN(C)CC2)nc1	ZINC000602510602	567989196	/nfs/dbraw/zinc/98/91/96/567989196.db2.gz	KCGZISJTVMZIGN-KRWDZBQOSA-N	1	1	357.502	2.022	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)CCOCC1	ZINC000602882019	568004671	/nfs/dbraw/zinc/00/46/71/568004671.db2.gz	IRNKZSADTPSTSQ-MSOLQXFVSA-N	1	1	366.465	2.490	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1	ZINC000602926007	568018650	/nfs/dbraw/zinc/01/86/50/568018650.db2.gz	MWGMTFCZFPSVTP-HOCLYGCPSA-N	1	1	357.376	2.383	20	30		FEEDMO
C[NH+](C)CCc1ccc(CNCCS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000568384398	568035777	/nfs/dbraw/zinc/03/57/77/568035777.db2.gz	DLANYTWGVIUQOH-UHFFFAOYSA-N	1	1	371.506	2.226	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCC(F)(F)C3)CC2)cn1	ZINC000330267420	568038621	/nfs/dbraw/zinc/03/86/21/568038621.db2.gz	IBVHIQAEHNWPHO-AWEZNQCLSA-N	1	1	355.433	2.277	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCC(F)(F)C3)CC2)cn1	ZINC000330267420	568038622	/nfs/dbraw/zinc/03/86/22/568038622.db2.gz	IBVHIQAEHNWPHO-AWEZNQCLSA-N	1	1	355.433	2.277	20	30		FEEDMO
C=CC[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1	ZINC000669168284	568187546	/nfs/dbraw/zinc/18/75/46/568187546.db2.gz	JJAYELPNMKLADI-KRWDZBQOSA-N	1	1	370.497	2.421	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CC(=O)NC2CCCC2)CC1	ZINC000604415901	568281094	/nfs/dbraw/zinc/28/10/94/568281094.db2.gz	JNCXWFVGSQVHQT-FQEVSTJZSA-N	1	1	362.518	2.202	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N2c3ccccc3C[C@@H]2C)CC1	ZINC000604483257	568300746	/nfs/dbraw/zinc/30/07/46/568300746.db2.gz	JXGJVFVAEILHTF-HOTGVXAUSA-N	1	1	370.497	2.302	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1	ZINC000604521755	568308239	/nfs/dbraw/zinc/30/82/39/568308239.db2.gz	XPWPPPIPNRSYAC-JQHSSLGASA-N	1	1	359.470	2.486	20	30		FEEDMO
N#Cc1ccc(CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1	ZINC000569592049	568408704	/nfs/dbraw/zinc/40/87/04/568408704.db2.gz	ORGICRKSQIWSSV-IBGZPJMESA-N	1	1	370.478	2.056	20	30		FEEDMO
CCOC(=O)C1CCC([N@@H+](CC)CC(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000558747547	674514496	/nfs/dbraw/zinc/51/44/96/674514496.db2.gz	ITYKAMMSPIMVDV-RJYAGPCLSA-N	1	1	351.491	2.485	20	30		FEEDMO
C=CCOCC[NH+]1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1	ZINC000559049136	674525659	/nfs/dbraw/zinc/52/56/59/674525659.db2.gz	CZFUIIGMBRRJLP-KRWDZBQOSA-N	1	1	352.862	2.374	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000810070657	674529422	/nfs/dbraw/zinc/52/94/22/674529422.db2.gz	RQZJAVLZAGBMFH-KBPBESRZSA-N	1	1	363.424	2.190	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000810070991	674529480	/nfs/dbraw/zinc/52/94/80/674529480.db2.gz	UZRNLAVHBQVDCN-ZDUSSCGKSA-N	1	1	355.360	2.457	20	30		FEEDMO
Cc1ccc(-c2nn[nH]n2)c(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000822215130	607226824	/nfs/dbraw/zinc/22/68/24/607226824.db2.gz	MQFUGIFHWGMJJR-UHFFFAOYSA-N	1	1	374.452	2.154	20	30		FEEDMO
CC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000825419139	608088486	/nfs/dbraw/zinc/08/84/86/608088486.db2.gz	IHBSCNWLTVOCDY-AWEZNQCLSA-N	1	1	355.446	2.012	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+](CCOC)Cc1sccc1Br	ZINC000815101118	674918063	/nfs/dbraw/zinc/91/80/63/674918063.db2.gz	NVQDGAHSWQLCJH-UHFFFAOYSA-N	1	1	359.289	2.099	20	30		FEEDMO
C#CCNC(=O)CC[N@H+](CCOC)Cc1sccc1Br	ZINC000815101118	674918066	/nfs/dbraw/zinc/91/80/66/674918066.db2.gz	NVQDGAHSWQLCJH-UHFFFAOYSA-N	1	1	359.289	2.099	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1O	ZINC001047557233	674960267	/nfs/dbraw/zinc/96/02/67/674960267.db2.gz	KAKZEWBPKLUELS-XSLAGTTESA-N	1	1	352.519	2.297	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1c1nc(Cl)c(C#N)s1	ZINC001048587162	675011380	/nfs/dbraw/zinc/01/13/80/675011380.db2.gz	KBEIVBYIBIWRRA-QJPTWQEYSA-N	1	1	367.906	2.236	20	30		FEEDMO
C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)[C@@H](C)C[N@H+]1CCO	ZINC000574770946	671275761	/nfs/dbraw/zinc/27/57/61/671275761.db2.gz	NCCTUZSVHDNRPE-MNOVXSKESA-N	1	1	356.239	2.351	20	30		FEEDMO
C=CCn1c(SCC[NH+]2C[C@H](C)O[C@@H](C)C2)nnc1-c1cnccn1	ZINC000574770087	671275800	/nfs/dbraw/zinc/27/58/00/671275800.db2.gz	FUTDKRYLNMODJQ-KBPBESRZSA-N	1	1	360.487	2.122	20	30		FEEDMO
C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H](O)C(F)(F)F	ZINC000577717239	671615567	/nfs/dbraw/zinc/61/55/67/671615567.db2.gz	PHQCLNYARUUOKZ-CQSZACIVSA-N	1	1	353.348	2.214	20	30		FEEDMO
C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@@H](O)C(F)(F)F	ZINC000577717239	671615569	/nfs/dbraw/zinc/61/55/69/671615569.db2.gz	PHQCLNYARUUOKZ-CQSZACIVSA-N	1	1	353.348	2.214	20	30		FEEDMO
C[N@@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)CC2(C#N)CCC2)C1	ZINC000580466666	671810011	/nfs/dbraw/zinc/81/00/11/671810011.db2.gz	IGQGGBDDDYKOHF-SFHVURJKSA-N	1	1	361.511	2.259	20	30		FEEDMO
CC(C)CN(CC(F)(F)F)C(=O)CON=C(N)C[N@H+]1CCCC[C@@H]1C	ZINC000151533968	672164696	/nfs/dbraw/zinc/16/46/96/672164696.db2.gz	NJCBXKWQJSCRPL-ZDUSSCGKSA-N	1	1	366.428	2.197	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000170652800	672323372	/nfs/dbraw/zinc/32/33/72/672323372.db2.gz	NSXJKUUYCDFIEL-CABCVRRESA-N	1	1	352.479	2.078	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000170652800	672323376	/nfs/dbraw/zinc/32/33/76/672323376.db2.gz	NSXJKUUYCDFIEL-CABCVRRESA-N	1	1	352.479	2.078	20	30		FEEDMO
C[NH+]=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)N1CCCC1	ZINC000171412580	672332235	/nfs/dbraw/zinc/33/22/35/672332235.db2.gz	HQHMFFNJIYSSOQ-UHFFFAOYSA-N	1	1	363.263	2.405	20	30		FEEDMO
C[NH+]=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)N1CCCC1	ZINC000171412580	672332237	/nfs/dbraw/zinc/33/22/37/672332237.db2.gz	HQHMFFNJIYSSOQ-UHFFFAOYSA-N	1	1	363.263	2.405	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2	ZINC000180467931	672414075	/nfs/dbraw/zinc/41/40/75/672414075.db2.gz	YQEMTHWVILXLGL-GHMZBOCLSA-N	1	1	367.243	2.009	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Br)c1	ZINC000611181813	676023196	/nfs/dbraw/zinc/02/31/96/676023196.db2.gz	JQYSHMWMDJUYCD-HZPDHXFCSA-N	1	1	350.260	2.356	20	30		FEEDMO
C=C(C)[C@@H](CO)[NH+]1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1	ZINC000590700537	672603525	/nfs/dbraw/zinc/60/35/25/672603525.db2.gz	IEZAZAYTCVVMHG-IAGOWNOFSA-N	1	1	352.862	2.109	20	30		FEEDMO
C=CCn1c(C2CC2)nn(CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1=S	ZINC000188962244	672603983	/nfs/dbraw/zinc/60/39/83/672603983.db2.gz	BFINMNOZQHSSLG-CQSZACIVSA-N	1	1	365.547	2.212	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(Cl)c1	ZINC000590774377	672616585	/nfs/dbraw/zinc/61/65/85/672616585.db2.gz	CSIPDOXGQJXOHM-GFCCVEGCSA-N	1	1	356.253	2.442	20	30		FEEDMO
CC(C)[C@H]1[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC12CCOCC2	ZINC000591242835	672661258	/nfs/dbraw/zinc/66/12/58/672661258.db2.gz	CQOYDVMTXISMKU-GOSISDBHSA-N	1	1	362.495	2.469	20	30		FEEDMO
CC(C)[C@H]1[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)CC12CCOCC2	ZINC000591242835	672661260	/nfs/dbraw/zinc/66/12/60/672661260.db2.gz	CQOYDVMTXISMKU-GOSISDBHSA-N	1	1	362.495	2.469	20	30		FEEDMO
C=C(Br)CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1	ZINC000195181958	672778172	/nfs/dbraw/zinc/77/81/72/672778172.db2.gz	SJHKDMHFGPVBNF-UHFFFAOYSA-N	1	1	350.220	2.284	20	30		FEEDMO
N#Cc1csc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)n1	ZINC000593066078	672871127	/nfs/dbraw/zinc/87/11/27/672871127.db2.gz	BIQVTUDUISJASM-ZWKOTPCHSA-N	1	1	354.479	2.490	20	30		FEEDMO
N#Cc1sccc1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000593528883	672934389	/nfs/dbraw/zinc/93/43/89/672934389.db2.gz	QHNRPJPPMXDSAD-UHFFFAOYSA-N	1	1	371.553	2.260	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	ZINC000594069546	673028034	/nfs/dbraw/zinc/02/80/34/673028034.db2.gz	DLEJIOMAFHGRTG-SOUVJXGZSA-N	1	1	360.483	2.221	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)C1	ZINC000328911857	673069229	/nfs/dbraw/zinc/06/92/29/673069229.db2.gz	ONCATYNBBMPLNY-HNNXBMFYSA-N	1	1	365.499	2.225	20	30		FEEDMO
N#CCCCC[C@H]([NH3+])C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1	ZINC000594469633	673078830	/nfs/dbraw/zinc/07/88/30/673078830.db2.gz	JBWAARKYMKEWEM-AWEZNQCLSA-N	1	1	360.849	2.195	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNC(=O)c1ccc(Cl)cc1	ZINC000329591469	673079755	/nfs/dbraw/zinc/07/97/55/673079755.db2.gz	ZZDOOKSKKVYGEP-CJNGLKHVSA-N	1	1	364.877	2.152	20	30		FEEDMO
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1	ZINC000329750346	673082757	/nfs/dbraw/zinc/08/27/57/673082757.db2.gz	IAUWVYOIHYYTLY-BBWFWOEESA-N	1	1	352.523	2.211	20	30		FEEDMO
O=C(N[C@H]1CCCS(=O)(=O)C1)c1cnn(-c2cc[nH+]cc2)c1C(F)F	ZINC000330222501	673087149	/nfs/dbraw/zinc/08/71/49/673087149.db2.gz	MMQZSBFVYSBWMQ-JTQLQIEISA-N	1	1	370.381	2.087	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1=O	ZINC000348579703	673115825	/nfs/dbraw/zinc/11/58/25/673115825.db2.gz	YEODMAVQLAZBGQ-IJEWVQPXSA-N	1	1	363.483	2.254	20	30		FEEDMO
CS(=O)(=O)c1ccc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)o1	ZINC000594979242	673182449	/nfs/dbraw/zinc/18/24/49/673182449.db2.gz	GNVJHOILSGDGPI-UHFFFAOYSA-N	1	1	360.435	2.350	20	30		FEEDMO
CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1	ZINC000595357486	673232185	/nfs/dbraw/zinc/23/21/85/673232185.db2.gz	ZVAFITXHAAEPBE-LBPRGKRZSA-N	1	1	361.389	2.340	20	30		FEEDMO
N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1	ZINC000595412213	673246408	/nfs/dbraw/zinc/24/64/08/673246408.db2.gz	WIAYFEIWWQYQPU-CYBMUJFWSA-N	1	1	369.437	2.237	20	30		FEEDMO
N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1	ZINC000595412213	673246411	/nfs/dbraw/zinc/24/64/11/673246411.db2.gz	WIAYFEIWWQYQPU-CYBMUJFWSA-N	1	1	369.437	2.237	20	30		FEEDMO
CO[C@@]1(CO)CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000595664456	673280373	/nfs/dbraw/zinc/28/03/73/673280373.db2.gz	YQVIFOIAHDHUGH-SFHVURJKSA-N	1	1	365.861	2.060	20	30		FEEDMO
CO[C@@]1(CO)CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000595664456	673280379	/nfs/dbraw/zinc/28/03/79/673280379.db2.gz	YQVIFOIAHDHUGH-SFHVURJKSA-N	1	1	365.861	2.060	20	30		FEEDMO
C=CCCSCCNC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000596717648	673406983	/nfs/dbraw/zinc/40/69/83/673406983.db2.gz	NXICCRFRDPDLDM-KRWDZBQOSA-N	1	1	354.564	2.106	20	30		FEEDMO
C=CCCSCCNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000596717648	673406984	/nfs/dbraw/zinc/40/69/84/673406984.db2.gz	NXICCRFRDPDLDM-KRWDZBQOSA-N	1	1	354.564	2.106	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1nc(-c2cccc(Cl)c2)no1	ZINC000734136629	673453162	/nfs/dbraw/zinc/45/31/62/673453162.db2.gz	JSUMFCZXGXFTNN-HNNXBMFYSA-N	1	1	358.829	2.146	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1nc(-c2cccc(Cl)c2)no1	ZINC000734136629	673453166	/nfs/dbraw/zinc/45/31/66/673453166.db2.gz	JSUMFCZXGXFTNN-HNNXBMFYSA-N	1	1	358.829	2.146	20	30		FEEDMO
CCN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CC[N@@H+](C)C1	ZINC000597947211	673522556	/nfs/dbraw/zinc/52/25/56/673522556.db2.gz	VSCRRRSEXKYLRR-GFCCVEGCSA-N	1	1	366.259	2.252	20	30		FEEDMO
COCCCOCC[N@@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000540245479	673531070	/nfs/dbraw/zinc/53/10/70/673531070.db2.gz	VNVYXPOOXPHZDZ-HFCFLWKCSA-N	1	1	353.507	2.291	20	30		FEEDMO
CCC[N@H+]1CC[C@H](NC(=O)COc2cccc(Br)c2C#N)C1	ZINC000598341836	673561534	/nfs/dbraw/zinc/56/15/34/673561534.db2.gz	GUAJIIXNFBBVPS-LBPRGKRZSA-N	1	1	366.259	2.300	20	30		FEEDMO
C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2sccc2C#N)C1	ZINC000598505931	673576767	/nfs/dbraw/zinc/57/67/67/673576767.db2.gz	MHECJNYPNJIPRA-KRWDZBQOSA-N	1	1	354.479	2.166	20	30		FEEDMO
C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2sccc2C#N)C1	ZINC000598505931	673576770	/nfs/dbraw/zinc/57/67/70/673576770.db2.gz	MHECJNYPNJIPRA-KRWDZBQOSA-N	1	1	354.479	2.166	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000542879068	673612906	/nfs/dbraw/zinc/61/29/06/673612906.db2.gz	IGZGUBMWEJBBEG-IUODEOHRSA-N	1	1	357.376	2.337	20	30		FEEDMO
C[C@H](C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1	ZINC000543585972	673654621	/nfs/dbraw/zinc/65/46/21/673654621.db2.gz	TXWNDMPINRSMLJ-DOMZBBRYSA-N	1	1	354.376	2.022	20	30		FEEDMO
CC1(C)CN(CC(F)(F)F)CC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599354617	673663208	/nfs/dbraw/zinc/66/32/08/673663208.db2.gz	QPLRAVHXEITZNF-CQSZACIVSA-N	1	1	363.424	2.016	20	30		FEEDMO
CC1(C)CN(CC(F)(F)F)CC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599354617	673663210	/nfs/dbraw/zinc/66/32/10/673663210.db2.gz	QPLRAVHXEITZNF-CQSZACIVSA-N	1	1	363.424	2.016	20	30		FEEDMO
C[C@H](C(=O)N1CCC(Nc2ccccc2C#N)CC1)[NH+]1CCSCC1	ZINC000602188467	673903092	/nfs/dbraw/zinc/90/30/92/673903092.db2.gz	CIFXPVPVAZCSHJ-OAHLLOKOSA-N	1	1	358.511	2.398	20	30		FEEDMO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ncc(Br)cc1F	ZINC000602794196	673911363	/nfs/dbraw/zinc/91/13/63/673911363.db2.gz	HXKUOXAVXRGINW-UHFFFAOYSA-N	1	1	367.226	2.225	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ncc(Br)cc1F	ZINC000602794196	673911364	/nfs/dbraw/zinc/91/13/64/673911364.db2.gz	HXKUOXAVXRGINW-UHFFFAOYSA-N	1	1	367.226	2.225	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(I)c(F)c1	ZINC000818589332	675226522	/nfs/dbraw/zinc/22/65/22/675226522.db2.gz	WYWFQUZQGSJYFR-UHFFFAOYSA-N	1	1	374.197	2.115	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC[N@H+]1C	ZINC000819314266	675280305	/nfs/dbraw/zinc/28/03/05/675280305.db2.gz	WGNBEOFYNLCFAT-RBSFLKMASA-N	1	1	352.479	2.172	20	30		FEEDMO
C#C[C@H](NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccc(Cl)cc1	ZINC000820553979	675369505	/nfs/dbraw/zinc/36/95/05/675369505.db2.gz	YJKMOOOBYKRDIU-MSOLQXFVSA-N	1	1	361.873	2.255	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)c2nccnc2c1	ZINC000820687854	675378974	/nfs/dbraw/zinc/37/89/74/675378974.db2.gz	CFYFWTRDTRXEKW-UHFFFAOYSA-N	1	1	361.243	2.077	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Cl)cc1F	ZINC000820750141	675385078	/nfs/dbraw/zinc/38/50/78/675385078.db2.gz	LAQUQOXGWRRHFE-PBHICJAKSA-N	1	1	367.852	2.299	20	30		FEEDMO
CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C#Cc1cccs1	ZINC000825414437	675651766	/nfs/dbraw/zinc/65/17/66/675651766.db2.gz	FBEOZXWFTGSLRS-INIZCTEOSA-N	1	1	362.495	2.366	20	30		FEEDMO
CC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000603890958	675801831	/nfs/dbraw/zinc/80/18/31/675801831.db2.gz	WSWBWGLHODSKFO-CYBMUJFWSA-N	1	1	360.483	2.038	20	30		FEEDMO
N#CCc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000619492383	676380948	/nfs/dbraw/zinc/38/09/48/676380948.db2.gz	MQTCMELUYWUDKS-APWZRJJASA-N	1	1	359.495	2.390	20	30		FEEDMO
C=CCCOCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000677290197	679674416	/nfs/dbraw/zinc/67/44/16/679674416.db2.gz	IKAZLAGQQFEBBV-RBUKOAKNSA-N	1	1	351.535	2.375	20	30		FEEDMO
COCC#CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000677480579	679682560	/nfs/dbraw/zinc/68/25/60/679682560.db2.gz	ZYJWIWWNLMNJRN-ZDUSSCGKSA-N	1	1	366.259	2.144	20	30		FEEDMO
C[C@@](O)(C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Br)cc1F	ZINC000829999181	677021021	/nfs/dbraw/zinc/02/10/21/677021021.db2.gz	YBNNYCWSLJGNJJ-CABCVRRESA-N	1	1	357.223	2.146	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c(OC(F)F)c1	ZINC000830105353	677025587	/nfs/dbraw/zinc/02/55/87/677025587.db2.gz	JDPWGQFDCOELDY-CYBMUJFWSA-N	1	1	351.353	2.434	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)c(OC(F)F)c1	ZINC000830105353	677025588	/nfs/dbraw/zinc/02/55/88/677025588.db2.gz	JDPWGQFDCOELDY-CYBMUJFWSA-N	1	1	351.353	2.434	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccccc1I	ZINC000838624116	680706831	/nfs/dbraw/zinc/70/68/31/680706831.db2.gz	HUZWTOXTNDBLOB-UHFFFAOYSA-N	1	1	371.222	2.368	20	30		FEEDMO
CCOC(=O)CC(C)(C)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000839012262	680732720	/nfs/dbraw/zinc/73/27/20/680732720.db2.gz	XXXKHUFIWPHIRG-KGLIPLIRSA-N	1	1	353.463	2.314	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(SC)c1	ZINC000839564116	680761957	/nfs/dbraw/zinc/76/19/57/680761957.db2.gz	OLZHMESFGUXLJJ-UHFFFAOYSA-N	1	1	353.875	2.072	20	30		FEEDMO
C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1)c1nnnn1C1CC1	ZINC000839577349	680763119	/nfs/dbraw/zinc/76/31/19/680763119.db2.gz	DXPHIOWZRAADSR-JTQLQIEISA-N	1	1	359.821	2.212	20	30		FEEDMO
C=CCN(C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H](C)COC	ZINC000663435207	678740320	/nfs/dbraw/zinc/74/03/20/678740320.db2.gz	KEAKWNKKPNYRTF-KRWDZBQOSA-N	1	1	353.507	2.254	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=S)NCc3ccon3)CC2)cc1	ZINC000764455823	680810062	/nfs/dbraw/zinc/81/00/62/680810062.db2.gz	UYYUUBPQJXXPRG-UHFFFAOYSA-N	1	1	355.467	2.129	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)Cc1c(C)nn(CC(F)(F)F)c1C	ZINC000764623763	680817140	/nfs/dbraw/zinc/81/71/40/680817140.db2.gz	BMGVASJNWXKDCC-AWEZNQCLSA-N	1	1	357.376	2.246	20	30		FEEDMO
C#CCOc1cccc(Cl)c1CN1CC[NH+](C(COC)COC)CC1	ZINC000840954911	680856758	/nfs/dbraw/zinc/85/67/58/680856758.db2.gz	NEVWQKXJRWQZNQ-UHFFFAOYSA-N	1	1	366.889	2.131	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](CCC2CCOCC2)CC1(C)C	ZINC000975052600	680008613	/nfs/dbraw/zinc/00/86/13/680008613.db2.gz	BFFNWLPXNLCHFJ-SQNIBIBYSA-N	1	1	350.503	2.221	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNS(=O)(=O)C(C)C)c1C	ZINC000749747860	680071028	/nfs/dbraw/zinc/07/10/28/680071028.db2.gz	QVIRPFPMHUTHGB-QGZVFWFLSA-N	1	1	354.520	2.251	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(Cl)s2)C1	ZINC001018865875	680084098	/nfs/dbraw/zinc/08/40/98/680084098.db2.gz	VAVIOWYBWOSHKS-XQQFMLRXSA-N	1	1	355.891	2.468	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc(COC)n2)C1	ZINC001020167820	680101653	/nfs/dbraw/zinc/10/16/53/680101653.db2.gz	HJNRZZYTNVUANA-XOUADPBQSA-N	1	1	365.499	2.008	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3sc(C)nc3C)C[C@H]21	ZINC000978717554	680179243	/nfs/dbraw/zinc/17/92/43/680179243.db2.gz	NNBDLMCEJYRBND-MTSZKFMLSA-N	1	1	361.511	2.145	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1	ZINC001022212417	680202937	/nfs/dbraw/zinc/20/29/37/680202937.db2.gz	CQFDRMMOANMJHE-OWCLPIDISA-N	1	1	367.921	2.166	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(C(C)C)ns2)C1	ZINC001022842811	680241940	/nfs/dbraw/zinc/24/19/40/680241940.db2.gz	GCHYXRMZRBYMPD-FQLMCAECSA-N	1	1	364.515	2.380	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](C[C@H](CC)OC)C2	ZINC000981776602	680251004	/nfs/dbraw/zinc/25/10/04/680251004.db2.gz	RTLIDBYFGIZYIF-KSZLIROESA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001023499213	680261199	/nfs/dbraw/zinc/26/11/99/680261199.db2.gz	XAQYRYVPZXKINA-AYCBFJCHSA-N	1	1	369.303	2.147	20	30		FEEDMO
C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001023499213	680261204	/nfs/dbraw/zinc/26/12/04/680261204.db2.gz	XAQYRYVPZXKINA-AYCBFJCHSA-N	1	1	369.303	2.147	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC000982805259	680288211	/nfs/dbraw/zinc/28/82/11/680288211.db2.gz	NYTYTMUEBFVMOE-BPLDGKMQSA-N	1	1	355.910	2.070	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(CC)s2)C(C)(C)C1	ZINC000996330935	680328927	/nfs/dbraw/zinc/32/89/27/680328927.db2.gz	NYEXDIUZMZKVET-HZSPNIEDSA-N	1	1	364.515	2.018	20	30		FEEDMO
CC(C)[N@@H+]1CC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)[C@@H](C)C1	ZINC000754258389	680346039	/nfs/dbraw/zinc/34/60/39/680346039.db2.gz	MDWZFUYGUTWWJD-ZDUSSCGKSA-N	1	1	367.519	2.286	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC000998044989	680373369	/nfs/dbraw/zinc/37/33/69/680373369.db2.gz	IBICDLQVHKPGFF-BRWVUGGUSA-N	1	1	357.926	2.161	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCc2scnc2C)C1	ZINC001028548453	680373664	/nfs/dbraw/zinc/37/36/64/680373664.db2.gz	AQTZNXPQNXSNOE-ZACQAIPSSA-N	1	1	363.527	2.413	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1	ZINC001028602962	680377636	/nfs/dbraw/zinc/37/76/36/680377636.db2.gz	ROAMMRDWOVLMPU-KBAYOESNSA-N	1	1	364.873	2.334	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1	ZINC001028602962	680377642	/nfs/dbraw/zinc/37/76/42/680377642.db2.gz	ROAMMRDWOVLMPU-KBAYOESNSA-N	1	1	364.873	2.334	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1	ZINC001028808905	680383231	/nfs/dbraw/zinc/38/32/31/680383231.db2.gz	HBRQBBKKOBLUOK-RKVPGOIHSA-N	1	1	350.409	2.494	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1scnc1C	ZINC001029481059	680389573	/nfs/dbraw/zinc/38/95/73/680389573.db2.gz	XQKALZOZXQBHNR-TWMKSMIVSA-N	1	1	361.511	2.260	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(OCC(F)(F)F)cc1	ZINC000836203921	680435246	/nfs/dbraw/zinc/43/52/46/680435246.db2.gz	AVIQIOPIBZFIAL-UHFFFAOYSA-N	1	1	357.376	2.382	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1OCC(F)(F)F	ZINC000836229316	680438259	/nfs/dbraw/zinc/43/82/59/680438259.db2.gz	AZSBUVXEWOHSRS-UHFFFAOYSA-N	1	1	357.376	2.382	20	30		FEEDMO
C[C@@H]1CCO[C@@H]1C(=O)N1CCC2(C[NH+](Cc3ccc(C#N)s3)C2)CC1	ZINC001035796295	680452201	/nfs/dbraw/zinc/45/22/01/680452201.db2.gz	DWJFMICAUGXHFP-PBHICJAKSA-N	1	1	359.495	2.469	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCC1CCOCC1	ZINC001038800951	680461256	/nfs/dbraw/zinc/46/12/56/680461256.db2.gz	VXABUDCKIPEHRG-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1	ZINC001040302065	680470845	/nfs/dbraw/zinc/47/08/45/680470845.db2.gz	FSHVMVGFMUSRHG-MPTZMVSHSA-N	1	1	350.890	2.477	20	30		FEEDMO
C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1	ZINC001040302065	680470850	/nfs/dbraw/zinc/47/08/50/680470850.db2.gz	FSHVMVGFMUSRHG-MPTZMVSHSA-N	1	1	350.890	2.477	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1	ZINC000986158727	680497612	/nfs/dbraw/zinc/49/76/12/680497612.db2.gz	QRAJVLGSRKRDJO-PMPSAXMXSA-N	1	1	367.921	2.024	20	30		FEEDMO
C#CC[N@@H+](CC1(CO)COC1)[C@@H]1CCOc2ccc(Br)cc21	ZINC000756884009	680503117	/nfs/dbraw/zinc/50/31/17/680503117.db2.gz	BJVRVJHNJGRCJT-OAHLLOKOSA-N	1	1	366.255	2.217	20	30		FEEDMO
C#CC[N@H+](CC1(CO)COC1)[C@@H]1CCOc2ccc(Br)cc21	ZINC000756884009	680503118	/nfs/dbraw/zinc/50/31/18/680503118.db2.gz	BJVRVJHNJGRCJT-OAHLLOKOSA-N	1	1	366.255	2.217	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cc(OC)ns2)CC1	ZINC001006015726	680590332	/nfs/dbraw/zinc/59/03/32/680590332.db2.gz	IPJPDBRIEYNYQV-CVEARBPZSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC001006189079	680598411	/nfs/dbraw/zinc/59/84/11/680598411.db2.gz	VUNAQDKOIDNNPQ-LALPHHSUSA-N	1	1	355.910	2.068	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@@H]2CC(C)(C)CO2)C1	ZINC001044029627	680606528	/nfs/dbraw/zinc/60/65/28/680606528.db2.gz	SHOQOBXKAXPAGO-BZSNNMDCSA-N	1	1	350.503	2.315	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001047065913	680657005	/nfs/dbraw/zinc/65/70/05/680657005.db2.gz	RCNPYBLQFUMJOY-DDHJBXDOSA-N	1	1	367.906	2.315	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@H](C)n1cc(Br)cn1	ZINC000842711072	680961285	/nfs/dbraw/zinc/96/12/85/680961285.db2.gz	WBYOUXVLMQUSLQ-JSGCOSHPSA-N	1	1	354.248	2.238	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cc(OC)ccc2OC(F)F)CC1	ZINC000769022073	680968130	/nfs/dbraw/zinc/96/81/30/680968130.db2.gz	QGZVDFSAAJKZFC-UHFFFAOYSA-N	1	1	352.381	2.258	20	30		FEEDMO
C#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1	ZINC000843424528	681003357	/nfs/dbraw/zinc/00/33/57/681003357.db2.gz	VLPIOWSYDVQWFW-CYBMUJFWSA-N	1	1	350.846	2.448	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C[C@H](O)c1cccc(C#N)c1	ZINC000844367206	681054424	/nfs/dbraw/zinc/05/44/24/681054424.db2.gz	SGJDVQJRGDEOPI-SFHVURJKSA-N	1	1	357.841	2.493	20	30		FEEDMO
C[N@H+](CC(=O)NCc1ccc(Cl)cc1)C[C@H](O)c1cccc(C#N)c1	ZINC000844367206	681054427	/nfs/dbraw/zinc/05/44/27/681054427.db2.gz	SGJDVQJRGDEOPI-SFHVURJKSA-N	1	1	357.841	2.493	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC1CCCCC1	ZINC001051154830	681064408	/nfs/dbraw/zinc/06/44/08/681064408.db2.gz	JOZNSWKVVBFUOY-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1CC1CCCCC1	ZINC001051154830	681064411	/nfs/dbraw/zinc/06/44/11/681064411.db2.gz	JOZNSWKVVBFUOY-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ncc(Br)s1	ZINC000772986862	681121077	/nfs/dbraw/zinc/12/10/77/681121077.db2.gz	ZOCRYIPQEMOQGM-WYNUBKAASA-N	1	1	371.260	2.083	20	30		FEEDMO
Cc1nsc(N2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1C#N	ZINC001058091827	681167640	/nfs/dbraw/zinc/16/76/40/681167640.db2.gz	LVBCTHNJYCVGSO-UKRRQHHQSA-N	1	1	361.515	2.091	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001059854081	681186598	/nfs/dbraw/zinc/18/65/98/681186598.db2.gz	YOJZMWZLXVQHMV-CHWFTXMASA-N	1	1	353.879	2.067	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)COC)C[C@H]2CC1	ZINC000946595126	681244275	/nfs/dbraw/zinc/24/42/75/681244275.db2.gz	JTLCPCZNVXRJNH-FQBWVUSXSA-N	1	1	350.503	2.173	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCCO1	ZINC000775789238	681335375	/nfs/dbraw/zinc/33/53/75/681335375.db2.gz	LNDJKSAUGKUYJB-CVEARBPZSA-N	1	1	365.271	2.178	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOc2ccccc2[C@H]1CO	ZINC000933385294	681402347	/nfs/dbraw/zinc/40/23/47/681402347.db2.gz	KDWSNXGOXWMBDX-OAHLLOKOSA-N	1	1	357.435	2.376	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCOc2ccccc2[C@H]1CO	ZINC000933385294	681402350	/nfs/dbraw/zinc/40/23/50/681402350.db2.gz	KDWSNXGOXWMBDX-OAHLLOKOSA-N	1	1	357.435	2.376	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCCC2=NNC2CCS(=O)(=O)CC2)C1	ZINC000776793087	681436390	/nfs/dbraw/zinc/43/63/90/681436390.db2.gz	KUUJNKCYKABGFN-RVKKMQEKSA-N	1	1	355.548	2.430	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2=NNC2CCS(=O)(=O)CC2)C1	ZINC000776793087	681436393	/nfs/dbraw/zinc/43/63/93/681436393.db2.gz	KUUJNKCYKABGFN-RVKKMQEKSA-N	1	1	355.548	2.430	20	30		FEEDMO
C=CC[C@H]1CC[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br	ZINC000934467515	681574602	/nfs/dbraw/zinc/57/46/02/681574602.db2.gz	RKMINNVJARALFT-LBPRGKRZSA-N	1	1	366.259	2.154	20	30		FEEDMO
C=CC[C@H]1CC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br	ZINC000934467515	681574604	/nfs/dbraw/zinc/57/46/04/681574604.db2.gz	RKMINNVJARALFT-LBPRGKRZSA-N	1	1	366.259	2.154	20	30		FEEDMO
CN(C)S(=O)(=O)c1ccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)cc1	ZINC000848623326	681591358	/nfs/dbraw/zinc/59/13/58/681591358.db2.gz	DGFAWIARSCBLJE-AWEZNQCLSA-N	1	1	363.443	2.071	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@H]1CC1CCOCC1	ZINC000934641140	681604746	/nfs/dbraw/zinc/60/47/46/681604746.db2.gz	DGJUAAQEVPMZEF-MRXNPFEDSA-N	1	1	363.483	2.466	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1	ZINC000934833464	681645376	/nfs/dbraw/zinc/64/53/76/681645376.db2.gz	KCMXBIZABFNVPK-ROUUACIJSA-N	1	1	362.495	2.471	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[NH+]1CCC(OCCC(=O)NC)CC1	ZINC000779163391	681685605	/nfs/dbraw/zinc/68/56/05/681685605.db2.gz	CHKYYBMTBNXFLM-UHFFFAOYSA-N	1	1	364.873	2.469	20	30		FEEDMO
C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(Br)c1C#N	ZINC000913533743	685479417	/nfs/dbraw/zinc/47/94/17/685479417.db2.gz	WRUNEORRCLOMDW-TXEJJXNPSA-N	1	1	364.243	2.005	20	30		FEEDMO
C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1cccc(Br)c1C#N	ZINC000913533743	685479418	/nfs/dbraw/zinc/47/94/18/685479418.db2.gz	WRUNEORRCLOMDW-TXEJJXNPSA-N	1	1	364.243	2.005	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000780866112	681879403	/nfs/dbraw/zinc/87/94/03/681879403.db2.gz	IOFOLBZKYRNUCK-LLVKDONJSA-N	1	1	361.389	2.340	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000780981549	681892988	/nfs/dbraw/zinc/89/29/88/681892988.db2.gz	UVTCLGRVORGAHV-MSOLQXFVSA-N	1	1	354.539	2.346	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000914259272	685501280	/nfs/dbraw/zinc/50/12/80/685501280.db2.gz	OPHITJFTQJPRDB-IEBWSBKVSA-N	1	1	361.511	2.421	20	30		FEEDMO
C=CCSCCNC(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000915205023	685513066	/nfs/dbraw/zinc/51/30/66/685513066.db2.gz	LFKOWYMYVCNRJS-CBZIJGRNSA-N	1	1	355.548	2.075	20	30		FEEDMO
C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC000961375045	682091416	/nfs/dbraw/zinc/09/14/16/682091416.db2.gz	OIJAZLYUSIRRAK-WDSOQIARSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(C)ns3)C[C@H]21	ZINC000961996006	682105830	/nfs/dbraw/zinc/10/58/30/682105830.db2.gz	QDBNMEZYNGWJOC-AVEIZBFRSA-N	1	1	361.511	2.369	20	30		FEEDMO
C#CCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	ZINC000851749033	682119191	/nfs/dbraw/zinc/11/91/91/682119191.db2.gz	SQXOIVCMYMVBOA-UHFFFAOYSA-N	1	1	357.332	2.385	20	30		FEEDMO
FC(F)(F)[C@@H]1CCCC(=NNC(=S)NCCC[NH+]2CCOCC2)C1	ZINC000783511723	682148018	/nfs/dbraw/zinc/14/80/18/682148018.db2.gz	LPMJQKHYLTZOAP-GFCCVEGCSA-N	1	1	366.453	2.281	20	30		FEEDMO
C#CCOCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000851825434	682149481	/nfs/dbraw/zinc/14/94/81/682149481.db2.gz	HXJXFEHXOZXZCA-CYBMUJFWSA-N	1	1	366.259	2.144	20	30		FEEDMO
N#Cc1c(F)cccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1	ZINC000851894713	682180077	/nfs/dbraw/zinc/18/00/77/682180077.db2.gz	PODIVIOUSSTRDC-AWEZNQCLSA-N	1	1	351.447	2.098	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC3=C(CCC(=O)N3)C2)cc1Cl	ZINC000852297238	682255558	/nfs/dbraw/zinc/25/55/58/682255558.db2.gz	GCAOQUINNBVCKB-UHFFFAOYSA-N	1	1	358.829	2.410	20	30		FEEDMO
C#CCC[N@@H+](CCOC)CCN1c2cccc3cccc(c23)S1(=O)=O	ZINC000852752471	682336119	/nfs/dbraw/zinc/33/61/19/682336119.db2.gz	ZQSGDZPBBKFGFE-UHFFFAOYSA-N	1	1	358.463	2.320	20	30		FEEDMO
C#CCC[N@H+](CCOC)CCN1c2cccc3cccc(c23)S1(=O)=O	ZINC000852752471	682336124	/nfs/dbraw/zinc/33/61/24/682336124.db2.gz	ZQSGDZPBBKFGFE-UHFFFAOYSA-N	1	1	358.463	2.320	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC000971568152	682362419	/nfs/dbraw/zinc/36/24/19/682362419.db2.gz	WHZVYQOBCWBPGL-JCGIZDLHSA-N	1	1	360.527	2.383	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC000971568152	682362424	/nfs/dbraw/zinc/36/24/24/682362424.db2.gz	WHZVYQOBCWBPGL-JCGIZDLHSA-N	1	1	360.527	2.383	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C	ZINC000786457360	682375817	/nfs/dbraw/zinc/37/58/17/682375817.db2.gz	OHUNPFWBAHDWTN-OAGGEKHMSA-N	1	1	350.459	2.273	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@H](O)CC1(C#N)CCOCC1	ZINC000859070148	683033690	/nfs/dbraw/zinc/03/36/90/683033690.db2.gz	MEUSEGMJHOOXJP-CQSZACIVSA-N	1	1	365.861	2.282	20	30		FEEDMO
C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@H](O)CC1(C#N)CCOCC1	ZINC000859070148	683033696	/nfs/dbraw/zinc/03/36/96/683033696.db2.gz	MEUSEGMJHOOXJP-CQSZACIVSA-N	1	1	365.861	2.282	20	30		FEEDMO
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000919853937	683303681	/nfs/dbraw/zinc/30/36/81/683303681.db2.gz	PZHLYIHLMSJONN-UONOGXRCSA-N	1	1	373.400	2.434	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000919853937	683303686	/nfs/dbraw/zinc/30/36/86/683303686.db2.gz	PZHLYIHLMSJONN-UONOGXRCSA-N	1	1	373.400	2.434	20	30		FEEDMO
N#Cc1cc(F)cc(C2(C(=O)N[C@@H]3CCC[N@H+]4CCSC[C@@H]34)CC2)c1	ZINC000928080948	683373438	/nfs/dbraw/zinc/37/34/38/683373438.db2.gz	NBZYNXJHAJIQLX-SJORKVTESA-N	1	1	359.470	2.425	20	30		FEEDMO
C=C(C)Cn1c(SCC(=O)NC[C@@H]2CC[N@H+]2C)nnc1-c1ccco1	ZINC000928558373	683471760	/nfs/dbraw/zinc/47/17/60/683471760.db2.gz	BWRNMMYSRYWZRC-ZDUSSCGKSA-N	1	1	361.471	2.027	20	30		FEEDMO
C=C(C)Cn1c(SCC(=O)NC[C@@H]2CC[N@@H+]2C)nnc1-c1ccco1	ZINC000928558373	683471761	/nfs/dbraw/zinc/47/17/61/683471761.db2.gz	BWRNMMYSRYWZRC-ZDUSSCGKSA-N	1	1	361.471	2.027	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(SC(F)(F)F)c1	ZINC000861871831	683489697	/nfs/dbraw/zinc/48/96/97/683489697.db2.gz	BGYPITBGYLVLBH-UHFFFAOYSA-N	1	1	373.400	2.308	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(F)c(Br)cc1F	ZINC000862946815	683654102	/nfs/dbraw/zinc/65/41/02/683654102.db2.gz	RCDGCIRDZHLUIG-AWEZNQCLSA-N	1	1	357.198	2.441	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(F)c(Br)cc1F	ZINC000862946815	683654105	/nfs/dbraw/zinc/65/41/05/683654105.db2.gz	RCDGCIRDZHLUIG-AWEZNQCLSA-N	1	1	357.198	2.441	20	30		FEEDMO
N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1	ZINC000930278265	683703615	/nfs/dbraw/zinc/70/36/15/683703615.db2.gz	JMVZKUWRPKYNFS-ROUUACIJSA-N	1	1	361.873	2.470	20	30		FEEDMO
N#Cc1cc(Cl)cc(C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)c1	ZINC000930761052	683780650	/nfs/dbraw/zinc/78/06/50/683780650.db2.gz	YKTDDBHJBSZYQL-UHFFFAOYSA-N	1	1	362.861	2.218	20	30		FEEDMO
C[N@H+](Cc1ccc(Br)nc1N)C[C@H](O)c1cccc(C#N)c1	ZINC000930845373	683791941	/nfs/dbraw/zinc/79/19/41/683791941.db2.gz	OXBPEDSUCLHDTO-AWEZNQCLSA-N	1	1	361.243	2.463	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccsc2NC(=O)c2ccco2)C1	ZINC000923578083	684307831	/nfs/dbraw/zinc/30/78/31/684307831.db2.gz	CHGPJBCJXPBCRF-CYBMUJFWSA-N	1	1	357.435	2.421	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2NC(=O)c2ccco2)C1	ZINC000923578083	684307837	/nfs/dbraw/zinc/30/78/37/684307837.db2.gz	CHGPJBCJXPBCRF-CYBMUJFWSA-N	1	1	357.435	2.421	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2cc(C)c(C(F)(F)F)n2)C1	ZINC000923596842	684311260	/nfs/dbraw/zinc/31/12/60/684311260.db2.gz	ALOPTCVDBJQUDC-ZDUSSCGKSA-N	1	1	356.392	2.159	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2cc(C)c(C(F)(F)F)n2)C1	ZINC000923596842	684311263	/nfs/dbraw/zinc/31/12/63/684311263.db2.gz	ALOPTCVDBJQUDC-ZDUSSCGKSA-N	1	1	356.392	2.159	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](C2OCCO2)C1	ZINC000932001236	684385992	/nfs/dbraw/zinc/38/59/92/684385992.db2.gz	AGAQLNFLTYYQLG-VXGBXAGGSA-N	1	1	361.467	2.130	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](C2OCCO2)C1	ZINC000932001236	684386001	/nfs/dbraw/zinc/38/60/01/684386001.db2.gz	AGAQLNFLTYYQLG-VXGBXAGGSA-N	1	1	361.467	2.130	20	30		FEEDMO
C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000872664417	685000722	/nfs/dbraw/zinc/00/07/22/685000722.db2.gz	ROUCPEAGACJGDU-CABCVRRESA-N	1	1	373.400	2.434	20	30		FEEDMO
C=CC[N@@H+](CC(C)(C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000876629824	686232482	/nfs/dbraw/zinc/23/24/82/686232482.db2.gz	NLURLNJYPNMIDP-CQSZACIVSA-N	1	1	360.520	2.212	20	30		FEEDMO
C=CC[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000876629824	686232487	/nfs/dbraw/zinc/23/24/87/686232487.db2.gz	NLURLNJYPNMIDP-CQSZACIVSA-N	1	1	360.520	2.212	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21)c1cccs1	ZINC000876710153	686249658	/nfs/dbraw/zinc/24/96/58/686249658.db2.gz	FLAHNLONRGIJOU-FUHWJXTLSA-N	1	1	354.479	2.226	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000876719812	686252764	/nfs/dbraw/zinc/25/27/64/686252764.db2.gz	WEMOIUDNWXEEGZ-MPGHIAIKSA-N	1	1	365.905	2.382	20	30		FEEDMO
Cc1nsc(N2CC[NH+](C[C@@H]3CCC4(CCOCC4)O3)CC2)c1C#N	ZINC000878630335	686624300	/nfs/dbraw/zinc/62/43/00/686624300.db2.gz	XSNQKVUJYQRQQX-HNNXBMFYSA-N	1	1	362.499	2.173	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H](O)c2ccc(Br)cc2)C[C@H](C)N1CC#N	ZINC000878771354	686655381	/nfs/dbraw/zinc/65/53/81/686655381.db2.gz	JNMDPKOAVPWZMV-ZENOOKHLSA-N	1	1	352.276	2.401	20	30		FEEDMO
CN(C)S(=O)(=O)c1cccc(C[N@@H+](C)CCc2cccc(C#N)c2)c1	ZINC000879432034	686820694	/nfs/dbraw/zinc/82/06/94/686820694.db2.gz	AESARJDHJMNKQK-UHFFFAOYSA-N	1	1	357.479	2.483	20	30		FEEDMO
N#Cc1nc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc1Br	ZINC000883086641	687560249	/nfs/dbraw/zinc/56/02/49/687560249.db2.gz	ATMXDXZDDMDMGO-LLVKDONJSA-N	1	1	364.247	2.322	20	30		FEEDMO
C[C@H]1CCC[N@H+]1CCNC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883092938	687562221	/nfs/dbraw/zinc/56/22/21/687562221.db2.gz	DRIRBJQJDPCOPB-JTQLQIEISA-N	1	1	352.236	2.322	20	30		FEEDMO
C[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F	ZINC000886206049	688213883	/nfs/dbraw/zinc/21/38/83/688213883.db2.gz	HDBRDXYCXSPKAK-FQUUOJAGSA-N	1	1	361.408	2.209	20	30		FEEDMO
C[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F	ZINC000886206049	688213888	/nfs/dbraw/zinc/21/38/88/688213888.db2.gz	HDBRDXYCXSPKAK-FQUUOJAGSA-N	1	1	361.408	2.209	20	30		FEEDMO
COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1	ZINC000886305805	688228712	/nfs/dbraw/zinc/22/87/12/688228712.db2.gz	QUUZHFOQVUPCIN-KXBFYZLASA-N	1	1	352.475	2.111	20	30		FEEDMO
C#CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427353	688253814	/nfs/dbraw/zinc/25/38/14/688253814.db2.gz	HXAZQSPJNMVBEM-HNNXBMFYSA-N	1	1	372.531	2.002	20	30		FEEDMO
C#CC[N@H+](C[C@H](C)CS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427353	688253819	/nfs/dbraw/zinc/25/38/19/688253819.db2.gz	HXAZQSPJNMVBEM-HNNXBMFYSA-N	1	1	372.531	2.002	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1	ZINC000887965636	688527362	/nfs/dbraw/zinc/52/73/62/688527362.db2.gz	KPXCWSMBEBCPDQ-IAGOWNOFSA-N	1	1	357.483	2.047	20	30		FEEDMO
C=CCOc1ccc(Br)cc1NC(=O)NCC[N@@H+](C)CCO	ZINC000888405285	688605621	/nfs/dbraw/zinc/60/56/21/688605621.db2.gz	NISJECBJPZKHBW-UHFFFAOYSA-N	1	1	372.263	2.060	20	30		FEEDMO
C[N@H+]1C[C@H]2CCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)[C@H]2C1	ZINC000891717300	689096753	/nfs/dbraw/zinc/09/67/53/689096753.db2.gz	COQKUZDAVJSKTF-ZBFHGGJFSA-N	1	1	351.372	2.402	20	30		FEEDMO
CCOc1cc(C[NH2+][C@H]2CCCN(O)C2=O)cc(Br)c1O	ZINC000895157998	689669395	/nfs/dbraw/zinc/66/93/95/689669395.db2.gz	GUBMFHRNRVQSNA-NSHDSACASA-N	1	1	359.220	2.023	20	30		FEEDMO
C#CCN(C(=O)C[N@H+](C)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000899270384	690328406	/nfs/dbraw/zinc/32/84/06/690328406.db2.gz	BWONYWSNIPMWRZ-UHFFFAOYSA-N	1	1	351.491	2.188	20	30		FEEDMO
NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC#C[C@H]1CCCCO1	ZINC000901704489	690681885	/nfs/dbraw/zinc/68/18/85/690681885.db2.gz	VDDJDJZYWCLCLA-HZPDHXFCSA-N	1	1	354.372	2.264	20	30		FEEDMO
COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1	ZINC000902972542	690825428	/nfs/dbraw/zinc/82/54/28/690825428.db2.gz	FYVXDNLBYMERPG-AWEZNQCLSA-N	1	1	359.451	2.224	20	30		FEEDMO
CCOC(=O)[C@@H]1[C@@H]([NH2+]CC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C	ZINC000903033503	690836417	/nfs/dbraw/zinc/83/64/17/690836417.db2.gz	WAXGVNCMUGRGRI-KBPBESRZSA-N	1	1	351.447	2.211	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)ccc1C(F)(F)F	ZINC000903210823	690867173	/nfs/dbraw/zinc/86/71/73/690867173.db2.gz	OTOWCTRABWPJFO-LBPRGKRZSA-N	1	1	359.373	2.046	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2nc(C#N)cs2)c(OC)c1	ZINC000905654640	691156864	/nfs/dbraw/zinc/15/68/64/691156864.db2.gz	HCAVWGKNSHQMMH-HNNXBMFYSA-N	1	1	359.451	2.281	20	30		FEEDMO
CC(=O)N1CCc2c(C#N)c(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)sc2C1	ZINC000906052535	691221699	/nfs/dbraw/zinc/22/16/99/691221699.db2.gz	RJSONQWAEQQTAH-HNNXBMFYSA-N	1	1	360.483	2.336	20	30		FEEDMO
CC(=O)N1CCc2c(C#N)c(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)sc2C1	ZINC000906052535	691221700	/nfs/dbraw/zinc/22/17/00/691221700.db2.gz	RJSONQWAEQQTAH-HNNXBMFYSA-N	1	1	360.483	2.336	20	30		FEEDMO
C#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@H]2C)cc1	ZINC000906948056	691351609	/nfs/dbraw/zinc/35/16/09/691351609.db2.gz	RBVQHSKVZONUGU-APWZRJJASA-N	1	1	364.511	2.083	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC[N@H+]1C	ZINC000906988066	691362346	/nfs/dbraw/zinc/36/23/46/691362346.db2.gz	OUOPSLGJEVVOHX-ZYHUDNBSSA-N	1	1	372.288	2.082	20	30		FEEDMO
C#Cc1ccc(S(=O)(=O)NCc2ccc(C)[nH+]c2N2CCCC2)cc1	ZINC000907107142	691396726	/nfs/dbraw/zinc/39/67/26/691396726.db2.gz	DFYDQLOIPJUQGR-UHFFFAOYSA-N	1	1	355.463	2.450	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(OC)c1C#N)C2	ZINC001164814368	720100905	/nfs/dbraw/zinc/10/09/05/720100905.db2.gz	SDAGLHRWHIGOES-OXQOHEQNSA-N	1	1	356.470	2.147	20	30		FEEDMO
N#Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1	ZINC001164867945	721039639	/nfs/dbraw/zinc/03/96/39/721039639.db2.gz	LDJSIMYTKWMVNQ-SJORKVTESA-N	1	1	369.856	2.481	20	30		FEEDMO
N#Cc1cnc2cc[nH]c(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c1-2	ZINC001164880418	721127672	/nfs/dbraw/zinc/12/76/72/721127672.db2.gz	WLENDNSNJJULAX-MSOLQXFVSA-N	1	1	374.448	2.309	20	30		FEEDMO
Cc1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1C#N	ZINC001164892491	721404142	/nfs/dbraw/zinc/40/41/42/721404142.db2.gz	YKPSUCLYMANKFH-PZJWPPBQSA-N	1	1	369.513	2.027	20	30		FEEDMO
Cc1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N	ZINC001164980690	722103611	/nfs/dbraw/zinc/10/36/11/722103611.db2.gz	JYCGMPJYFUEBHE-UYAOXDASSA-N	1	1	363.465	2.384	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCN(c2ccccc2)CC1	ZINC000515077781	816093319	/nfs/dbraw/zinc/09/33/19/816093319.db2.gz	DKALWXVSJDNHKD-UHFFFAOYSA-N	1	1	352.398	2.096	20	30		FEEDMO
CC(C)NC(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000007923948	539471016	/nfs/dbraw/zinc/47/10/16/539471016.db2.gz	VSFXTIHTNQSYNZ-UHFFFAOYSA-N	1	1	362.499	2.284	20	30		FEEDMO
C[C@@](C#N)(NC(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CC1	ZINC000022983192	539704351	/nfs/dbraw/zinc/70/43/51/539704351.db2.gz	KIOVSQXDXVPSTC-FQEVSTJZSA-N	1	1	358.461	2.142	20	30		FEEDMO
N#Cc1ccc(CN2CC[NH+](C[C@@H](O)COc3ccccc3F)CC2)cc1	ZINC000025226455	539752075	/nfs/dbraw/zinc/75/20/75/539752075.db2.gz	NWFYPGCUZQHUDM-LJQANCHMSA-N	1	1	369.440	2.255	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1	ZINC000025698444	539766698	/nfs/dbraw/zinc/76/66/98/539766698.db2.gz	DKRDLYYBNFGONU-TZIWHRDSSA-N	1	1	351.450	2.309	20	30		FEEDMO
COc1ccc(CCNC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1OC	ZINC000026323669	539783036	/nfs/dbraw/zinc/78/30/36/539783036.db2.gz	LSSXKRFFMJSQDF-UHFFFAOYSA-N	1	1	367.449	2.366	20	30		FEEDMO
COc1ccc(CCNC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC	ZINC000026323669	539783041	/nfs/dbraw/zinc/78/30/41/539783041.db2.gz	LSSXKRFFMJSQDF-UHFFFAOYSA-N	1	1	367.449	2.366	20	30		FEEDMO
COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000026329489	539784020	/nfs/dbraw/zinc/78/40/20/539784020.db2.gz	RHFPFWNBPJFVSK-HNNXBMFYSA-N	1	1	365.433	2.482	20	30		FEEDMO
COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000026329489	539784025	/nfs/dbraw/zinc/78/40/25/539784025.db2.gz	RHFPFWNBPJFVSK-HNNXBMFYSA-N	1	1	365.433	2.482	20	30		FEEDMO
CC(C)(C)CC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000027600573	539811933	/nfs/dbraw/zinc/81/19/33/539811933.db2.gz	PFRGNJYBJJYZRG-UHFFFAOYSA-N	1	1	356.470	2.467	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COc2ccc(C#N)cc2Cl)C1	ZINC000028141959	539826755	/nfs/dbraw/zinc/82/67/55/539826755.db2.gz	HLGBBQJMIVMMSK-OAHLLOKOSA-N	1	1	365.861	2.063	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)NCc3ccccc3)CC2)cc1	ZINC000028960574	539840085	/nfs/dbraw/zinc/84/00/85/539840085.db2.gz	FWGJPAMRGNIOLT-UHFFFAOYSA-N	1	1	362.477	2.382	20	30		FEEDMO
N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[NH+]1CCCC1)CCCC2	ZINC000029692302	539861485	/nfs/dbraw/zinc/86/14/85/539861485.db2.gz	FMIUEMIANUOUIJ-HNNXBMFYSA-N	1	1	356.470	2.452	20	30		FEEDMO
CN(C(=O)C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1)C1CCCCC1	ZINC000041623604	540027525	/nfs/dbraw/zinc/02/75/25/540027525.db2.gz	NBWOQUUSOMAIOS-SFHVURJKSA-N	1	1	359.470	2.021	20	30		FEEDMO
CN(C(=O)C[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1)C1CCCCC1	ZINC000041623604	540027529	/nfs/dbraw/zinc/02/75/29/540027529.db2.gz	NBWOQUUSOMAIOS-SFHVURJKSA-N	1	1	359.470	2.021	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2sccc2C1	ZINC000041965431	540042936	/nfs/dbraw/zinc/04/29/36/540042936.db2.gz	CGZILLFQTGZVAV-CYBMUJFWSA-N	1	1	368.462	2.121	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2sccc2C1	ZINC000041965431	540042939	/nfs/dbraw/zinc/04/29/39/540042939.db2.gz	CGZILLFQTGZVAV-CYBMUJFWSA-N	1	1	368.462	2.121	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000046085956	540241728	/nfs/dbraw/zinc/24/17/28/540241728.db2.gz	GBYFXFAWMCILMB-FQEVSTJZSA-N	1	1	353.470	2.125	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000046085956	540241730	/nfs/dbraw/zinc/24/17/30/540241730.db2.gz	GBYFXFAWMCILMB-FQEVSTJZSA-N	1	1	353.470	2.125	20	30		FEEDMO
CN(Cc1ccco1)C(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000046085965	540241805	/nfs/dbraw/zinc/24/18/05/540241805.db2.gz	ZIBJCUFRHCBONJ-UHFFFAOYSA-N	1	1	352.438	2.322	20	30		FEEDMO
CN(Cc1ccco1)C(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000046085965	540241809	/nfs/dbraw/zinc/24/18/09/540241809.db2.gz	ZIBJCUFRHCBONJ-UHFFFAOYSA-N	1	1	352.438	2.322	20	30		FEEDMO
COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000046529310	540260721	/nfs/dbraw/zinc/26/07/21/540260721.db2.gz	XUUVUCSGJMSVOC-OAHLLOKOSA-N	1	1	365.433	2.482	20	30		FEEDMO
COC(=O)c1ccc(CNC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000046529310	540260723	/nfs/dbraw/zinc/26/07/23/540260723.db2.gz	XUUVUCSGJMSVOC-OAHLLOKOSA-N	1	1	365.433	2.482	20	30		FEEDMO
COc1cc(/C=C/C(=O)NCC[N@H+]2CCC[C@H](C)C2)ccc1OCC#N	ZINC000046861995	540274283	/nfs/dbraw/zinc/27/42/83/540274283.db2.gz	QONRVEWDVYGFKB-BVBGJJFLSA-N	1	1	357.454	2.459	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(c3ncc(C(N)=O)cc3Cl)CC2)cc1	ZINC000047087732	540288676	/nfs/dbraw/zinc/28/86/76/540288676.db2.gz	RZYIBJUREINUQF-UHFFFAOYSA-N	1	1	369.856	2.418	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(c3ncc(C(N)=O)cc3Cl)CC2)cc1	ZINC000047087732	540288679	/nfs/dbraw/zinc/28/86/79/540288679.db2.gz	RZYIBJUREINUQF-UHFFFAOYSA-N	1	1	369.856	2.418	20	30		FEEDMO
CCNC(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000047262861	540299824	/nfs/dbraw/zinc/29/98/24/540299824.db2.gz	WPYXOWXUSMTICC-UHFFFAOYSA-N	1	1	362.499	2.285	20	30		FEEDMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)CC1	ZINC000051401156	540432988	/nfs/dbraw/zinc/43/29/88/540432988.db2.gz	ZTSOHAXBBZJNAY-UHFFFAOYSA-N	1	1	370.497	2.095	20	30		FEEDMO
CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)CC1	ZINC000051401156	540432992	/nfs/dbraw/zinc/43/29/92/540432992.db2.gz	ZTSOHAXBBZJNAY-UHFFFAOYSA-N	1	1	370.497	2.095	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000051581394	540438589	/nfs/dbraw/zinc/43/85/89/540438589.db2.gz	PPCSUGZUBPJMGB-MOPGFXCFSA-N	1	1	373.497	2.121	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1	ZINC000054203968	540574961	/nfs/dbraw/zinc/57/49/61/540574961.db2.gz	RXOPKRRWNCYOCH-KRWDZBQOSA-N	1	1	356.470	2.241	20	30		FEEDMO
C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCOc1cccc(C#N)c1	ZINC000057843610	540818981	/nfs/dbraw/zinc/81/89/81/540818981.db2.gz	FRWIBJTUJLVELN-CQSZACIVSA-N	1	1	359.451	2.277	20	30		FEEDMO
N#CC1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1	ZINC000057907418	540823719	/nfs/dbraw/zinc/82/37/19/540823719.db2.gz	DQRQIJWIHDNMCC-QGZVFWFLSA-N	1	1	355.438	2.357	20	30		FEEDMO
NC(=[NH+]OCC(=O)Nc1cccc(C(=O)NC2CC2)c1)C1CCCCC1	ZINC000063458818	541168901	/nfs/dbraw/zinc/16/89/01/541168901.db2.gz	AWLIPEIRXPMUEU-UHFFFAOYSA-N	1	1	358.442	2.386	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000066241216	541294186	/nfs/dbraw/zinc/29/41/86/541294186.db2.gz	MIAYRMYCROONKW-LSDHHAIUSA-N	1	1	366.469	2.176	20	30		FEEDMO
C#CCOc1ccccc1CNCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000066994816	541404511	/nfs/dbraw/zinc/40/45/11/541404511.db2.gz	BQZOFZXGZZUUGH-UHFFFAOYSA-N	1	1	365.477	2.280	20	30		FEEDMO
CC(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000068576877	541611306	/nfs/dbraw/zinc/61/13/06/541611306.db2.gz	FAYUMQBULDDNBK-LBPRGKRZSA-N	1	1	362.861	2.481	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2C(N)=O)sc2c1CCCC2	ZINC000068756858	541624774	/nfs/dbraw/zinc/62/47/74/541624774.db2.gz	GOBHIMSXIMWTDE-CQSZACIVSA-N	1	1	360.483	2.167	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2C(N)=O)sc2c1CCCC2	ZINC000068756858	541624776	/nfs/dbraw/zinc/62/47/76/541624776.db2.gz	GOBHIMSXIMWTDE-CQSZACIVSA-N	1	1	360.483	2.167	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2cccc(CNS(=O)(=O)CCCCC#N)c2)CCO1	ZINC000068900572	541638479	/nfs/dbraw/zinc/63/84/79/541638479.db2.gz	CXBKINZDAINALC-INIZCTEOSA-N	1	1	365.499	2.021	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cccc(CNS(=O)(=O)CCCCC#N)c2)CCO1	ZINC000068900572	541638483	/nfs/dbraw/zinc/63/84/83/541638483.db2.gz	CXBKINZDAINALC-INIZCTEOSA-N	1	1	365.499	2.021	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000069045498	541652588	/nfs/dbraw/zinc/65/25/88/541652588.db2.gz	YUIMPEOANUNROX-ZDUSSCGKSA-N	1	1	362.861	2.387	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1	ZINC000074235912	542057224	/nfs/dbraw/zinc/05/72/24/542057224.db2.gz	ALCFCFBUYBSJMZ-NSHDSACASA-N	1	1	359.348	2.417	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1	ZINC000074235912	542057228	/nfs/dbraw/zinc/05/72/28/542057228.db2.gz	ALCFCFBUYBSJMZ-NSHDSACASA-N	1	1	359.348	2.417	20	30		FEEDMO
CCC[N@H+]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000074289813	542065017	/nfs/dbraw/zinc/06/50/17/542065017.db2.gz	QKRYYTBZUUTYBU-UHFFFAOYSA-N	1	1	366.469	2.100	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1	ZINC000075917114	542215837	/nfs/dbraw/zinc/21/58/37/542215837.db2.gz	MAAKFISXCFRLKI-UHFFFAOYSA-N	1	1	357.454	2.426	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1	ZINC000075917114	542215840	/nfs/dbraw/zinc/21/58/40/542215840.db2.gz	MAAKFISXCFRLKI-UHFFFAOYSA-N	1	1	357.454	2.426	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)c1	ZINC000076659599	542307895	/nfs/dbraw/zinc/30/78/95/542307895.db2.gz	KOLYZVRMZQTJIZ-INIZCTEOSA-N	1	1	359.470	2.380	20	30		FEEDMO
C=CCCCN(C)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000076950852	542333687	/nfs/dbraw/zinc/33/36/87/542333687.db2.gz	GDMGNCZXSFDXKI-UHFFFAOYSA-N	1	1	358.486	2.182	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F	ZINC000077538131	542394403	/nfs/dbraw/zinc/39/44/03/542394403.db2.gz	ASILWSWLIXOICF-QGZVFWFLSA-N	1	1	366.396	2.027	20	30		FEEDMO
CCO[C@H](C)c1nc(CN2CC[NH+](CCO[C@H](C)C#N)CC2)cs1	ZINC000801923296	674155378	/nfs/dbraw/zinc/15/53/78/674155378.db2.gz	DHQPMEMXRXOTOY-HUUCEWRRSA-N	1	1	352.504	2.287	20	30		FEEDMO
Cc1ccc(-n2nc(C(=O)NC3(C#N)CC[NH+](C)CC3)c3c2CCC3)cc1	ZINC000080012316	542557873	/nfs/dbraw/zinc/55/78/73/542557873.db2.gz	QMOANOURESGWQC-UHFFFAOYSA-N	1	1	363.465	2.387	20	30		FEEDMO
CCO[C@H](C)c1noc(CN2CCC[N@@H+](CCCSCC#N)CC2)n1	ZINC000080629396	542598267	/nfs/dbraw/zinc/59/82/67/542598267.db2.gz	KQKZDHRHHLKVNV-OAHLLOKOSA-N	1	1	367.519	2.322	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1	ZINC000081625982	542669409	/nfs/dbraw/zinc/66/94/09/542669409.db2.gz	VFUIGRTYCIVRGV-WOJBJXKFSA-N	1	1	372.488	2.482	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000081625982	542669413	/nfs/dbraw/zinc/66/94/13/542669413.db2.gz	VFUIGRTYCIVRGV-WOJBJXKFSA-N	1	1	372.488	2.482	20	30		FEEDMO
COc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1O	ZINC000086169208	542733763	/nfs/dbraw/zinc/73/37/63/542733763.db2.gz	FPJPSFRPUPONIU-QGZVFWFLSA-N	1	1	356.422	2.339	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000092284411	542853783	/nfs/dbraw/zinc/85/37/83/542853783.db2.gz	LEEYDEZJXMBHJY-ADKAHSJRSA-N	1	1	371.485	2.427	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000092217299	542849122	/nfs/dbraw/zinc/84/91/22/542849122.db2.gz	NOBXMGIEENOMRX-AQFXKWCLSA-N	1	1	357.458	2.037	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1)C1CC1	ZINC000101918445	543049448	/nfs/dbraw/zinc/04/94/48/543049448.db2.gz	FDOXTCWJKSZWFQ-FQEVSTJZSA-N	1	1	372.444	2.285	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000101911513	543049611	/nfs/dbraw/zinc/04/96/11/543049611.db2.gz	SOSRPPQMNDJLTA-DOTOQJQBSA-N	1	1	356.470	2.369	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000101911513	543049614	/nfs/dbraw/zinc/04/96/14/543049614.db2.gz	SOSRPPQMNDJLTA-DOTOQJQBSA-N	1	1	356.470	2.369	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000104136470	543124207	/nfs/dbraw/zinc/12/42/07/543124207.db2.gz	ICYKBRDMHUOTLS-HNNXBMFYSA-N	1	1	366.469	2.320	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)CN2CCC[N@@H+](CC)CC2)cc1	ZINC000104952108	543152214	/nfs/dbraw/zinc/15/22/14/543152214.db2.gz	IQZPSDUUUDOXBE-UHFFFAOYSA-N	1	1	358.486	2.360	20	30		FEEDMO
CCOCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000106106113	543198941	/nfs/dbraw/zinc/19/89/41/543198941.db2.gz	UPYPMBVUGJDNPM-AWEZNQCLSA-N	1	1	364.877	2.193	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCCN1c1cccnn1	ZINC000106089297	543193671	/nfs/dbraw/zinc/19/36/71/543193671.db2.gz	KFUJRUMCAQDDNX-QAPCUYQASA-N	1	1	364.453	2.276	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)ccc1OCC#N	ZINC000247464243	549337483	/nfs/dbraw/zinc/33/74/83/549337483.db2.gz	RCMMYBSEVCJSMJ-YFZXXLGGSA-N	1	1	355.438	2.306	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1	ZINC000118112030	543645793	/nfs/dbraw/zinc/64/57/93/543645793.db2.gz	LHMWLYRQDCWCGI-INIZCTEOSA-N	1	1	359.470	2.427	20	30		FEEDMO
C=CC[C@@H](C)NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000116971449	543620217	/nfs/dbraw/zinc/62/02/17/543620217.db2.gz	BLFPLCBEYJLEDO-QAPCUYQASA-N	1	1	358.486	2.148	20	30		FEEDMO
C#CCSCCNC(=O)N(C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1	ZINC000121509225	543695891	/nfs/dbraw/zinc/69/58/91/543695891.db2.gz	COLNZJDPBCHPJZ-UHFFFAOYSA-N	1	1	361.515	2.070	20	30		FEEDMO
N#Cc1ccc2ncc(CNc3cccc(C[N@@H+]4CCC[C@H]4C(N)=O)c3)n2c1	ZINC000120125055	543676326	/nfs/dbraw/zinc/67/63/26/543676326.db2.gz	VXKJCWLEKBQXER-IBGZPJMESA-N	1	1	374.448	2.268	20	30		FEEDMO
N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)c1	ZINC000122670730	543717054	/nfs/dbraw/zinc/71/70/54/543717054.db2.gz	IATCWXKEVJSYLG-UHFFFAOYSA-N	1	1	365.433	2.491	20	30		FEEDMO
N#Cc1ccc2ncc(CNCC3([NH+]4CCCCC4)CCOCC3)n2c1	ZINC000123729697	543779865	/nfs/dbraw/zinc/77/98/65/543779865.db2.gz	HAMMJOOIFVWXQA-UHFFFAOYSA-N	1	1	353.470	2.331	20	30		FEEDMO
C=CCCOCCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000124716132	543838569	/nfs/dbraw/zinc/83/85/69/543838569.db2.gz	HCDPWCWVFZZRFX-GOSISDBHSA-N	1	1	360.502	2.089	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C[N@H+]1C1CC1	ZINC000127901522	544020615	/nfs/dbraw/zinc/02/06/15/544020615.db2.gz	GWWNTMNYZDFVOG-WMZOPIPTSA-N	1	1	367.497	2.405	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1	ZINC000127459905	543994930	/nfs/dbraw/zinc/99/49/30/543994930.db2.gz	CDJFCFWXWHRQKG-OAHLLOKOSA-N	1	1	366.387	2.320	20	30		FEEDMO
C=CCc1cc(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)cc(OC)c1OC	ZINC000127593729	544002042	/nfs/dbraw/zinc/00/20/42/544002042.db2.gz	LMFHCAFZDQQYEN-INIZCTEOSA-N	1	1	364.511	2.486	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(C#N)c2)C[N@H+]1Cc1ccccc1	ZINC000128126006	544034401	/nfs/dbraw/zinc/03/44/01/544034401.db2.gz	OGTKRJLPHLGITE-CRAIPNDOSA-N	1	1	355.463	2.500	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@H+]1CCOC	ZINC000128139911	544034693	/nfs/dbraw/zinc/03/46/93/544034693.db2.gz	WVJZCEZMVBUVDY-GOSISDBHSA-N	1	1	359.470	2.091	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000128195766	544038046	/nfs/dbraw/zinc/03/80/46/544038046.db2.gz	ULUILDYZMMPBIM-YJBOKZPZSA-N	1	1	357.454	2.353	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000128195766	544038050	/nfs/dbraw/zinc/03/80/50/544038050.db2.gz	ULUILDYZMMPBIM-YJBOKZPZSA-N	1	1	357.454	2.353	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c1C#N	ZINC000128526991	544057482	/nfs/dbraw/zinc/05/74/82/544057482.db2.gz	OKOSDTIZNOGVTL-MRXNPFEDSA-N	1	1	356.470	2.432	20	30		FEEDMO
CCC(=O)N[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000130494656	544153439	/nfs/dbraw/zinc/15/34/39/544153439.db2.gz	WWTDLDFOXVDZKN-ZDUSSCGKSA-N	1	1	374.510	2.428	20	30		FEEDMO
C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1	ZINC000133930320	544288554	/nfs/dbraw/zinc/28/85/54/544288554.db2.gz	MFKBYVYKHMQWGJ-OAHLLOKOSA-N	1	1	372.469	2.049	20	30		FEEDMO
CC[C@H]1CCCCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000150737448	544465623	/nfs/dbraw/zinc/46/56/23/544465623.db2.gz	ZRJLXLUYFSELRT-INIZCTEOSA-N	1	1	359.474	2.158	20	30		FEEDMO
C=C(C)C[NH+]1CCC(N[C@@H](C)c2cccc(S(=O)(=O)NC)c2)CC1	ZINC000153003904	544722019	/nfs/dbraw/zinc/72/20/19/544722019.db2.gz	SXCCOJNKJKRHOG-HNNXBMFYSA-N	1	1	351.516	2.286	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc(-c2ccc(F)cc2)no1	ZINC000153290065	544756201	/nfs/dbraw/zinc/75/62/01/544756201.db2.gz	UXGYICJTIDPASX-UHFFFAOYSA-N	1	1	355.377	2.117	20	30		FEEDMO
CCOC(=O)NCCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000153294229	544757609	/nfs/dbraw/zinc/75/76/09/544757609.db2.gz	GAXHQFCKUULSPH-UHFFFAOYSA-N	1	1	372.469	2.119	20	30		FEEDMO
C[C@H](NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1Cl	ZINC000153342734	544763794	/nfs/dbraw/zinc/76/37/94/544763794.db2.gz	FZZFHZVVWROHHJ-LBPRGKRZSA-N	1	1	374.876	2.259	20	30		FEEDMO
CCCc1[nH+]ccn1CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000153548249	544790054	/nfs/dbraw/zinc/79/00/54/544790054.db2.gz	KHMNSHJLAWKULR-SFHVURJKSA-N	1	1	351.454	2.245	20	30		FEEDMO
COCCOc1ccc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1	ZINC000179988452	327667344	/nfs/dbraw/zinc/66/73/44/327667344.db2.gz	FJCQKXUOTUTDCF-UHFFFAOYSA-N	1	1	352.438	2.301	20	30		FEEDMO
N#Cc1cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c[nH]1	ZINC000181351193	327726051	/nfs/dbraw/zinc/72/60/51/327726051.db2.gz	PIQRJYRMPJUUKZ-UHFFFAOYSA-N	1	1	357.845	2.092	20	30		FEEDMO
Cc1nc2c(cnn2C)c(N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)n1	ZINC000182738382	327786994	/nfs/dbraw/zinc/78/69/94/327786994.db2.gz	IKIGHTOMDKUHGH-AWEZNQCLSA-N	1	1	361.453	2.427	20	30		FEEDMO
C[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)CC1(O)CCCCCC1	ZINC000187348504	328018760	/nfs/dbraw/zinc/01/87/60/328018760.db2.gz	XYHIVQPYUZJMMO-UHFFFAOYSA-N	1	1	350.484	2.349	20	30		FEEDMO
C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)CC1(O)CCCCCC1	ZINC000187348504	328018762	/nfs/dbraw/zinc/01/87/62/328018762.db2.gz	XYHIVQPYUZJMMO-UHFFFAOYSA-N	1	1	350.484	2.349	20	30		FEEDMO
Cc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190838419	328235332	/nfs/dbraw/zinc/23/53/32/328235332.db2.gz	CNKGRRVRKIUTIM-MRXNPFEDSA-N	1	1	357.845	2.144	20	30		FEEDMO
C[C@@H](c1nnnn1C1CC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000191864213	328285585	/nfs/dbraw/zinc/28/55/85/328285585.db2.gz	CVJYXINYRVRJGN-HNNXBMFYSA-N	1	1	351.458	2.149	20	30		FEEDMO
COc1ccc(OC)c(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000192244400	328308871	/nfs/dbraw/zinc/30/88/71/328308871.db2.gz	GXJNUIQLBDWBJF-IBGZPJMESA-N	1	1	365.433	2.466	20	30		FEEDMO
CC(C)[NH+]1CCN(CCCN2CCN(c3ccc(C#N)cc3F)CC2)CC1	ZINC000192729680	328335630	/nfs/dbraw/zinc/33/56/30/328335630.db2.gz	PXFQQXCCSVCLGM-UHFFFAOYSA-N	1	1	373.520	2.235	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H](C)C1	ZINC000193430372	328374965	/nfs/dbraw/zinc/37/49/65/328374965.db2.gz	KTQBOJXSZMRTIA-ZBFHGGJFSA-N	1	1	373.501	2.242	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCOC3CCOCC3)CC2)cc1	ZINC000084579767	325239278	/nfs/dbraw/zinc/23/92/78/325239278.db2.gz	LWUUYIXHNITBLI-UHFFFAOYSA-N	1	1	371.481	2.178	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1	ZINC000088605622	325298709	/nfs/dbraw/zinc/29/87/09/325298709.db2.gz	SHNTYIWZKDTRNG-GOSISDBHSA-N	1	1	353.378	2.264	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1	ZINC000088605622	325298710	/nfs/dbraw/zinc/29/87/10/325298710.db2.gz	SHNTYIWZKDTRNG-GOSISDBHSA-N	1	1	353.378	2.264	20	30		FEEDMO
N#Cc1cccc(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1	ZINC000089682454	325327101	/nfs/dbraw/zinc/32/71/01/325327101.db2.gz	CFMMAJFIGAVFFC-RTBURBONSA-N	1	1	350.422	2.315	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1	ZINC000090463265	325359577	/nfs/dbraw/zinc/35/95/77/325359577.db2.gz	JNZUZNBMPCNQTI-QZTJIDSGSA-N	1	1	359.495	2.161	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1	ZINC000090463265	325359578	/nfs/dbraw/zinc/35/95/78/325359578.db2.gz	JNZUZNBMPCNQTI-QZTJIDSGSA-N	1	1	359.495	2.161	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000119058857	326122684	/nfs/dbraw/zinc/12/26/84/326122684.db2.gz	QGVSKKHDXGRBBM-UHFFFAOYSA-N	1	1	360.458	2.132	20	30		FEEDMO
C[N@@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)C1CCN(S(C)(=O)=O)CC1	ZINC000121655352	326355568	/nfs/dbraw/zinc/35/55/68/326355568.db2.gz	YDYBRXHOUVAMJJ-UHFFFAOYSA-N	1	1	374.466	2.069	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000162370645	327023970	/nfs/dbraw/zinc/02/39/70/327023970.db2.gz	LPSSPJLBBWBLLF-KUHUBIRLSA-N	1	1	373.453	2.496	20	30		FEEDMO
Cc1noc([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000171631643	327149915	/nfs/dbraw/zinc/14/99/15/327149915.db2.gz	SOEPOTPWHCGUAS-NVXWUHKLSA-N	1	1	351.410	2.235	20	30		FEEDMO
Cc1noc([C@@H]2CCC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000171631643	327149917	/nfs/dbraw/zinc/14/99/17/327149917.db2.gz	SOEPOTPWHCGUAS-NVXWUHKLSA-N	1	1	351.410	2.235	20	30		FEEDMO
Cc1ccc(N2CCC(NS(=O)(=O)Cc3cccc(C#N)c3)CC2)[nH+]c1	ZINC000173210991	327241663	/nfs/dbraw/zinc/24/16/63/327241663.db2.gz	ZALOQMNDPZILPA-UHFFFAOYSA-N	1	1	370.478	2.350	20	30		FEEDMO
CN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000173532827	327264301	/nfs/dbraw/zinc/26/43/01/327264301.db2.gz	NJKHKRQOYGNHIW-SFHVURJKSA-N	1	1	370.478	2.238	20	30		FEEDMO
CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000173532827	327264303	/nfs/dbraw/zinc/26/43/03/327264303.db2.gz	NJKHKRQOYGNHIW-SFHVURJKSA-N	1	1	370.478	2.238	20	30		FEEDMO
N#Cc1c[nH]c(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)c1	ZINC000175442644	327393141	/nfs/dbraw/zinc/39/31/41/327393141.db2.gz	JWWLFYQVXKFPEX-UHFFFAOYSA-N	1	1	371.872	2.482	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1	ZINC000178408587	327583093	/nfs/dbraw/zinc/58/30/93/327583093.db2.gz	MTPVLLGLCNBFQO-QGZVFWFLSA-N	1	1	366.421	2.352	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCc2cccc(C#N)c2)C[C@@H](C)O1	ZINC000264235336	329003113	/nfs/dbraw/zinc/00/31/13/329003113.db2.gz	GBZDIPXYXUVZHE-GPMSIDNRSA-N	1	1	356.470	2.341	20	30		FEEDMO
C[C@H](NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccc(C#N)cc1	ZINC000264518197	329031870	/nfs/dbraw/zinc/03/18/70/329031870.db2.gz	HDTRKXGLXZHIQM-FXAWDEMLSA-N	1	1	369.513	2.431	20	30		FEEDMO
C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(S(C)(=O)=O)cc1	ZINC000265853690	329166558	/nfs/dbraw/zinc/16/65/58/329166558.db2.gz	IROJEQHCJLSRIB-UHFFFAOYSA-N	1	1	371.462	2.422	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(S(C)(=O)=O)cc1	ZINC000265853690	329166559	/nfs/dbraw/zinc/16/65/59/329166559.db2.gz	IROJEQHCJLSRIB-UHFFFAOYSA-N	1	1	371.462	2.422	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000266425218	329221573	/nfs/dbraw/zinc/22/15/73/329221573.db2.gz	VZOCUERGTODKBL-ZDUSSCGKSA-N	1	1	356.348	2.419	20	30		FEEDMO
COc1cccc(NC(=O)CC[NH+]2CCN(c3ncccc3C#N)CC2)c1	ZINC000266430536	329221985	/nfs/dbraw/zinc/22/19/85/329221985.db2.gz	KPTLUXZVFXYSMS-UHFFFAOYSA-N	1	1	365.437	2.113	20	30		FEEDMO
COc1coc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1=O	ZINC000267937476	329369837	/nfs/dbraw/zinc/36/98/37/329369837.db2.gz	YOWNFOZBMMHXRG-UHFFFAOYSA-N	1	1	353.422	2.228	20	30		FEEDMO
COc1coc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1=O	ZINC000267937476	329369839	/nfs/dbraw/zinc/36/98/39/329369839.db2.gz	YOWNFOZBMMHXRG-UHFFFAOYSA-N	1	1	353.422	2.228	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000268171937	329393330	/nfs/dbraw/zinc/39/33/30/329393330.db2.gz	QVHVISKJYGQHCX-DNVCBOLYSA-N	1	1	356.470	2.199	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1	ZINC000276014197	330111480	/nfs/dbraw/zinc/11/14/80/330111480.db2.gz	HHWLIZQYSZBPKH-AWEZNQCLSA-N	1	1	370.453	2.051	20	30		FEEDMO
CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1	ZINC000364802401	330205295	/nfs/dbraw/zinc/20/52/95/330205295.db2.gz	FRLIRPRNEYVOGH-INIZCTEOSA-N	1	1	367.453	2.242	20	30		FEEDMO
CC(C)(C)CNC(=O)C(C)(C)[NH2+]CC(=O)N(CCC#N)c1ccccc1	ZINC000155452883	545528186	/nfs/dbraw/zinc/52/81/86/545528186.db2.gz	MWIZZDKNGHCSGA-UHFFFAOYSA-N	1	1	358.486	2.464	20	30		FEEDMO
C=CCC[C@@H](NC(=O)NC1CC[NH+](CC(=O)NC)CC1)c1ccccc1	ZINC000156438128	545628078	/nfs/dbraw/zinc/62/80/78/545628078.db2.gz	MRVIYRHQJSUBCY-GOSISDBHSA-N	1	1	358.486	2.204	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000156972289	545683798	/nfs/dbraw/zinc/68/37/98/545683798.db2.gz	RFRHFBHGHCEJNK-WMZOPIPTSA-N	1	1	360.454	2.298	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(CC#N)cc1	ZINC000156972289	545683805	/nfs/dbraw/zinc/68/38/05/545683805.db2.gz	RFRHFBHGHCEJNK-WMZOPIPTSA-N	1	1	360.454	2.298	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000159463408	545956469	/nfs/dbraw/zinc/95/64/69/545956469.db2.gz	PQBHOHFCNVYKEW-ZDUSSCGKSA-N	1	1	362.861	2.244	20	30		FEEDMO
C=CCN(CCOC)C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1	ZINC000478787094	561174737	/nfs/dbraw/zinc/17/47/37/561174737.db2.gz	FRMBSZNFDUHCCW-UHFFFAOYSA-N	1	1	374.529	2.168	20	30		FEEDMO
C[NH+]1CCN([C@@H](C(=O)N[C@H](C#N)c2ccccc2F)c2ccccc2)CC1	ZINC000161288443	546116911	/nfs/dbraw/zinc/11/69/11/546116911.db2.gz	VKKGEWKENGSABP-WOJBJXKFSA-N	1	1	366.440	2.495	20	30		FEEDMO
CN(C)C(=O)C(C)(C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000163239171	546143873	/nfs/dbraw/zinc/14/38/73/546143873.db2.gz	AJBNQJIFQWVEEJ-UHFFFAOYSA-N	1	1	350.850	2.043	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)NCC[N@H+]2CCc3ccccc3C2)cc1	ZINC000170795960	546177475	/nfs/dbraw/zinc/17/74/75/546177475.db2.gz	ULJKZWWHEVXVKQ-UHFFFAOYSA-N	1	1	364.449	2.446	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000171305606	546203127	/nfs/dbraw/zinc/20/31/27/546203127.db2.gz	IKWAVUVSUXXHMP-QRVBRYPASA-N	1	1	363.546	2.397	20	30		FEEDMO
N#Cc1cccc(OC2CC[NH+](CC(=O)NC(=O)NC3CCCC3)CC2)c1	ZINC000171610661	546216569	/nfs/dbraw/zinc/21/65/69/546216569.db2.gz	SPHPSVXUGYHQJA-UHFFFAOYSA-N	1	1	370.453	2.170	20	30		FEEDMO
Cc1nc(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)ccc1C#N	ZINC000172595777	546259562	/nfs/dbraw/zinc/25/95/62/546259562.db2.gz	DDRVAFLJARCGEQ-INIZCTEOSA-N	1	1	363.465	2.202	20	30		FEEDMO
N#Cc1ccc(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(F)c1	ZINC000174767722	546303315	/nfs/dbraw/zinc/30/33/15/546303315.db2.gz	NYIOZWWRMVRZLJ-KRWDZBQOSA-N	1	1	360.433	2.094	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1	ZINC000175871392	546364963	/nfs/dbraw/zinc/36/49/63/546364963.db2.gz	ZFTGKURCVQKXPC-HNNXBMFYSA-N	1	1	363.502	2.236	20	30		FEEDMO
C[C@H](O)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1	ZINC000176226291	546422171	/nfs/dbraw/zinc/42/21/71/546422171.db2.gz	NWYXFGUZTMZMBP-HNNXBMFYSA-N	1	1	350.484	2.347	20	30		FEEDMO
CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)s1	ZINC000480397679	561208363	/nfs/dbraw/zinc/20/83/63/561208363.db2.gz	XUCASUUECFBLKQ-UHFFFAOYSA-N	1	1	366.512	2.279	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1	ZINC000176694583	546477124	/nfs/dbraw/zinc/47/71/24/546477124.db2.gz	VEFKYURROWPDFJ-UHFFFAOYSA-N	1	1	373.862	2.485	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1OCC#N	ZINC000177056166	546533056	/nfs/dbraw/zinc/53/30/56/546533056.db2.gz	PBCHDOUFBMYINL-SLMWNZGVSA-N	1	1	355.438	2.352	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000178909262	546872299	/nfs/dbraw/zinc/87/22/99/546872299.db2.gz	BUUHHGDVWQANGP-LPHOPBHVSA-N	1	1	366.465	2.281	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2nnc3n2CCCC3)CC1	ZINC000481841042	561243681	/nfs/dbraw/zinc/24/36/81/561243681.db2.gz	NGXZYHSHMAGXHZ-MGPUTAFESA-N	1	1	372.517	2.237	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc(C#N)c(C)n2)CC1	ZINC000179327222	546931750	/nfs/dbraw/zinc/93/17/50/546931750.db2.gz	ZSDXKALSZFVVMX-UHFFFAOYSA-N	1	1	358.486	2.472	20	30		FEEDMO
Cn1cc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180285703	547078870	/nfs/dbraw/zinc/07/88/70/547078870.db2.gz	WIYRCFBNSJKKBU-KRWDZBQOSA-N	1	1	361.453	2.462	20	30		FEEDMO
C=CCNC(=O)CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C	ZINC000180339739	547087049	/nfs/dbraw/zinc/08/70/49/547087049.db2.gz	DPSLDIAAUOGRLE-MRXNPFEDSA-N	1	1	358.486	2.162	20	30		FEEDMO
C=CCNC(=O)CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1	ZINC000180339622	547087158	/nfs/dbraw/zinc/08/71/58/547087158.db2.gz	WMSICTGFJYCWEH-MRXNPFEDSA-N	1	1	358.486	2.020	20	30		FEEDMO
N#Cc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1	ZINC000180723788	547167175	/nfs/dbraw/zinc/16/71/75/547167175.db2.gz	NLPDTIUVVRVCSU-LJQANCHMSA-N	1	1	350.422	2.447	20	30		FEEDMO
CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000181052155	547239165	/nfs/dbraw/zinc/23/91/65/547239165.db2.gz	VWKJVJNPTXDAPT-OALUTQOASA-N	1	1	357.502	2.157	20	30		FEEDMO
CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000181052155	547239170	/nfs/dbraw/zinc/23/91/70/547239170.db2.gz	VWKJVJNPTXDAPT-OALUTQOASA-N	1	1	357.502	2.157	20	30		FEEDMO
C[C@H]([NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)C(=O)NC1(C#N)CCC1	ZINC000483096457	561267221	/nfs/dbraw/zinc/26/72/21/561267221.db2.gz	DIQKWIGSHZQKTG-AAEUAGOBSA-N	1	1	371.359	2.159	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F	ZINC000483099725	561267310	/nfs/dbraw/zinc/26/73/10/561267310.db2.gz	MONINVCSVUYJLF-JSGCOSHPSA-N	1	1	373.375	2.216	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1	ZINC000181154612	547259468	/nfs/dbraw/zinc/25/94/68/547259468.db2.gz	CXOZJJIEISHIGF-AWEZNQCLSA-N	1	1	355.442	2.063	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1	ZINC000181154612	547259474	/nfs/dbraw/zinc/25/94/74/547259474.db2.gz	CXOZJJIEISHIGF-AWEZNQCLSA-N	1	1	355.442	2.063	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1	ZINC000181154612	547259478	/nfs/dbraw/zinc/25/94/78/547259478.db2.gz	CXOZJJIEISHIGF-AWEZNQCLSA-N	1	1	355.442	2.063	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1	ZINC000181154612	547259483	/nfs/dbraw/zinc/25/94/83/547259483.db2.gz	CXOZJJIEISHIGF-AWEZNQCLSA-N	1	1	355.442	2.063	20	30		FEEDMO
C=C(C)C[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000181281935	547286658	/nfs/dbraw/zinc/28/66/58/547286658.db2.gz	DAMWJLKRVLNGMU-UHFFFAOYSA-N	1	1	373.906	2.427	20	30		FEEDMO
CN(C)C(=O)CC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000182206312	547454230	/nfs/dbraw/zinc/45/42/30/547454230.db2.gz	VLQLTVUHILYIHL-UHFFFAOYSA-N	1	1	356.470	2.124	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1	ZINC000182987197	547584004	/nfs/dbraw/zinc/58/40/04/547584004.db2.gz	QMSVWTKRRNUHPZ-OAHLLOKOSA-N	1	1	353.413	2.165	20	30		FEEDMO
CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1CCC(=O)N(C)CCC#N	ZINC000484309260	561296017	/nfs/dbraw/zinc/29/60/17/561296017.db2.gz	NZPSAWBBEHPQGL-NRFANRHFSA-N	1	1	371.481	2.389	20	30		FEEDMO
CN(C)c1cc(C#N)cc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1	ZINC000484312900	561296072	/nfs/dbraw/zinc/29/60/72/561296072.db2.gz	AYQIDCUFRHJIIZ-UHFFFAOYSA-N	1	1	351.454	2.453	20	30		FEEDMO
N#Cc1ccccc1/C=C/C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000183435417	547659074	/nfs/dbraw/zinc/65/90/74/547659074.db2.gz	VETYOSKRKYMBPR-LCCNJJIFSA-N	1	1	361.445	2.454	20	30		FEEDMO
C=CC[N@H+](CCOC)C[C@@H](O)COc1cc(F)cc(Br)c1	ZINC000484553663	561299947	/nfs/dbraw/zinc/29/99/47/561299947.db2.gz	FAQOREYDHHBENS-CQSZACIVSA-N	1	1	362.239	2.462	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NCCC[N@@H+](C)C1CCCCC1	ZINC000184795974	547880444	/nfs/dbraw/zinc/88/04/44/547880444.db2.gz	PNCICWFKEAGPCR-UHFFFAOYSA-N	1	1	365.499	2.500	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C	ZINC000185396954	547979963	/nfs/dbraw/zinc/97/99/63/547979963.db2.gz	QILVYFLTJYVYBO-CYBMUJFWSA-N	1	1	365.480	2.210	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1	ZINC000185494091	547991828	/nfs/dbraw/zinc/99/18/28/547991828.db2.gz	TWCCUFHTLAGEBE-AWEZNQCLSA-N	1	1	365.499	2.356	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C	ZINC000185506151	547995382	/nfs/dbraw/zinc/99/53/82/547995382.db2.gz	JCRQNPWPKXRVCY-QGZVFWFLSA-N	1	1	373.478	2.457	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C#N)cc1OC	ZINC000185638077	548013377	/nfs/dbraw/zinc/01/33/77/548013377.db2.gz	SVPRMLOMZUKCEB-HNNXBMFYSA-N	1	1	351.472	2.110	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCSC2(CCOCC2)C1	ZINC000186818741	548200125	/nfs/dbraw/zinc/20/01/25/548200125.db2.gz	AOWZYBDFBOZDFU-HNNXBMFYSA-N	1	1	351.516	2.316	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1	ZINC000187711419	548261585	/nfs/dbraw/zinc/26/15/85/548261585.db2.gz	RDYUVKUZIBXKRZ-CQSZACIVSA-N	1	1	374.510	2.429	20	30		FEEDMO
C=C(C)[C@H]([NH2+]CC(=O)NCCCN1CCCC1=O)c1ccc(F)c(F)c1	ZINC000187770172	548262563	/nfs/dbraw/zinc/26/25/63/548262563.db2.gz	LGTDXELUXYLSBP-IBGZPJMESA-N	1	1	365.424	2.300	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000188280239	548276555	/nfs/dbraw/zinc/27/65/55/548276555.db2.gz	IPHANNYXEZEVEJ-DENIHFKCSA-N	1	1	373.541	2.368	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO	ZINC000188761340	548287131	/nfs/dbraw/zinc/28/71/31/548287131.db2.gz	VLLCJDHLBZZNDL-TZIWHRDSSA-N	1	1	360.498	2.488	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000188876152	548289799	/nfs/dbraw/zinc/28/97/99/548289799.db2.gz	JPZHXFLCQXSMIF-UHFFFAOYSA-N	1	1	355.482	2.407	20	30		FEEDMO
COCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000189659361	548307204	/nfs/dbraw/zinc/30/72/04/548307204.db2.gz	CLNPIGHWOOELIT-QAPCUYQASA-N	1	1	363.433	2.198	20	30		FEEDMO
COCCO[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000189659361	548307207	/nfs/dbraw/zinc/30/72/07/548307207.db2.gz	CLNPIGHWOOELIT-QAPCUYQASA-N	1	1	363.433	2.198	20	30		FEEDMO
COCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000189659340	548307937	/nfs/dbraw/zinc/30/79/37/548307937.db2.gz	CLNPIGHWOOELIT-YJBOKZPZSA-N	1	1	363.433	2.198	20	30		FEEDMO
COCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000189659340	548307945	/nfs/dbraw/zinc/30/79/45/548307945.db2.gz	CLNPIGHWOOELIT-YJBOKZPZSA-N	1	1	363.433	2.198	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)CC2(O)CCOCC2)cc1C	ZINC000189748385	548311584	/nfs/dbraw/zinc/31/15/84/548311584.db2.gz	NRYURGVDLLCIRU-UHFFFAOYSA-N	1	1	359.470	2.023	20	30		FEEDMO
CNC(=O)[C@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1	ZINC000191610382	548347440	/nfs/dbraw/zinc/34/74/40/548347440.db2.gz	YSACDEIZNMGIDX-HXUWFJFHSA-N	1	1	363.461	2.333	20	30		FEEDMO
CNC(=O)[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)CCO1	ZINC000191610382	548347442	/nfs/dbraw/zinc/34/74/42/548347442.db2.gz	YSACDEIZNMGIDX-HXUWFJFHSA-N	1	1	363.461	2.333	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000245392178	548904723	/nfs/dbraw/zinc/90/47/23/548904723.db2.gz	SOSRPPQMNDJLTA-NVXWUHKLSA-N	1	1	356.470	2.369	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000245392178	548904728	/nfs/dbraw/zinc/90/47/28/548904728.db2.gz	SOSRPPQMNDJLTA-NVXWUHKLSA-N	1	1	356.470	2.369	20	30		FEEDMO
CN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000245408748	548910600	/nfs/dbraw/zinc/91/06/00/548910600.db2.gz	ISRPDHJCCUYNEM-FPOVZHCZSA-N	1	1	354.498	2.391	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000245674177	548971648	/nfs/dbraw/zinc/97/16/48/548971648.db2.gz	FYABDARGMGFWDN-CRAIPNDOSA-N	1	1	356.470	2.466	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1	ZINC000246095254	549050937	/nfs/dbraw/zinc/05/09/37/549050937.db2.gz	OGLUKDGCPLHBPS-SJLPKXTDSA-N	1	1	367.453	2.104	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)CC1	ZINC000246165355	549067699	/nfs/dbraw/zinc/06/76/99/549067699.db2.gz	UVZWKWGPZSJOMI-HFSMHLIXSA-N	1	1	354.498	2.372	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)CC1	ZINC000246165355	549067703	/nfs/dbraw/zinc/06/77/03/549067703.db2.gz	UVZWKWGPZSJOMI-HFSMHLIXSA-N	1	1	354.498	2.372	20	30		FEEDMO
CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000246179793	549070790	/nfs/dbraw/zinc/07/07/90/549070790.db2.gz	USEHIGQORFHIKR-HZPDHXFCSA-N	1	1	358.490	2.209	20	30		FEEDMO
CCn1cnnc1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000246179793	549070794	/nfs/dbraw/zinc/07/07/94/549070794.db2.gz	USEHIGQORFHIKR-HZPDHXFCSA-N	1	1	358.490	2.209	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1	ZINC000246248516	549089067	/nfs/dbraw/zinc/08/90/67/549089067.db2.gz	KVNWMXPIMNEGKG-MJGOQNOKSA-N	1	1	356.470	2.159	20	30		FEEDMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000246410126	549126977	/nfs/dbraw/zinc/12/69/77/549126977.db2.gz	JXDUBKSMLQYWMR-AAEUAGOBSA-N	1	1	373.400	2.434	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCC#N)CCC(C)C)CC1=O	ZINC000246450019	549135434	/nfs/dbraw/zinc/13/54/34/549135434.db2.gz	OPBXGWWVUVEEHK-ROUUACIJSA-N	1	1	362.518	2.108	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1	ZINC000246459482	549138218	/nfs/dbraw/zinc/13/82/18/549138218.db2.gz	FQVRITARQINFCX-ZHALLVOQSA-N	1	1	356.422	2.479	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2ccc(OCC#N)cc2)[C@@H](C)C1	ZINC000246718944	549195257	/nfs/dbraw/zinc/19/52/57/549195257.db2.gz	GKCQRBNOWHIEPL-PXNSSMCTSA-N	1	1	373.497	2.385	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)[N@@H+](C)Cc1ccccc1	ZINC000489241042	561406389	/nfs/dbraw/zinc/40/63/89/561406389.db2.gz	PHWVCKFSDWJUAN-AWEZNQCLSA-N	1	1	361.442	2.496	20	30		FEEDMO
CC1([C@@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)OCCO1	ZINC000248451726	549441425	/nfs/dbraw/zinc/44/14/25/549441425.db2.gz	JFSACJMJNWUBPO-CABCVRRESA-N	1	1	361.467	2.200	20	30		FEEDMO
CC1([C@@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)OCCO1	ZINC000248451726	549441429	/nfs/dbraw/zinc/44/14/29/549441429.db2.gz	JFSACJMJNWUBPO-CABCVRRESA-N	1	1	361.467	2.200	20	30		FEEDMO
CC1([C@@H]2CCC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)OCCO1	ZINC000248458307	549443790	/nfs/dbraw/zinc/44/37/90/549443790.db2.gz	MXAVHLDXSLWOJW-AEFFLSMTSA-N	1	1	355.438	2.139	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1cccc(C#N)c1	ZINC000248728337	549491898	/nfs/dbraw/zinc/49/18/98/549491898.db2.gz	CZGFQAHPRNWXCP-DNVCBOLYSA-N	1	1	362.433	2.133	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)[C@H](C)C1	ZINC000248995814	549538466	/nfs/dbraw/zinc/53/84/66/549538466.db2.gz	ZOXGQSAYQDGSLO-SJORKVTESA-N	1	1	359.470	2.021	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCCC[C@H]1C	ZINC000249382994	549586227	/nfs/dbraw/zinc/58/62/27/549586227.db2.gz	PJPVJNOTSNERMA-CRAIPNDOSA-N	1	1	373.501	2.404	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NCC(=O)Nc2sccc2C#N)[C@@H](C)C1	ZINC000249422641	549590330	/nfs/dbraw/zinc/59/03/30/549590330.db2.gz	HVWQNZXMCKZOBE-GOEBONIOSA-N	1	1	364.515	2.285	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1OC	ZINC000261678828	549742353	/nfs/dbraw/zinc/74/23/53/549742353.db2.gz	IGSWEEVBHKMPRL-KRWDZBQOSA-N	1	1	353.422	2.442	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c(Cl)c1	ZINC000490507143	561434210	/nfs/dbraw/zinc/43/42/10/561434210.db2.gz	HGLCEGBWLUESLM-ZDUSSCGKSA-N	1	1	360.845	2.283	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1	ZINC000263981740	549963356	/nfs/dbraw/zinc/96/33/56/549963356.db2.gz	GEQFFIZTDYIEAI-MRXNPFEDSA-N	1	1	358.486	2.218	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1	ZINC000263981740	549963358	/nfs/dbraw/zinc/96/33/58/549963358.db2.gz	GEQFFIZTDYIEAI-MRXNPFEDSA-N	1	1	358.486	2.218	20	30		FEEDMO
C=C(C)C[NH+]1CCC(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000264487149	549996440	/nfs/dbraw/zinc/99/64/40/549996440.db2.gz	NFTBYYKRMOCTSI-UHFFFAOYSA-N	1	1	353.444	2.451	20	30		FEEDMO
C=CCc1cc(C(=O)NCC[NH+]2CCSCC2)cc(OC)c1OC	ZINC000264803264	550001679	/nfs/dbraw/zinc/00/16/79/550001679.db2.gz	NQFGRBBUVASQKZ-UHFFFAOYSA-N	1	1	350.484	2.211	20	30		FEEDMO
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1ccc(C(N)=O)cc1	ZINC000264931397	550003556	/nfs/dbraw/zinc/00/35/56/550003556.db2.gz	PJUHBTJBZABMBD-LBPRGKRZSA-N	1	1	364.446	2.077	20	30		FEEDMO
COc1cc(OC)cc(OCCC[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)c1	ZINC000267885343	550035399	/nfs/dbraw/zinc/03/53/99/550035399.db2.gz	GFSUGVPREKXXTR-HNNXBMFYSA-N	1	1	363.458	2.165	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[C@H]1C	ZINC000491470998	561445812	/nfs/dbraw/zinc/44/58/12/561445812.db2.gz	KKBXXBZWCPEJRM-TZMCWYRMSA-N	1	1	362.861	2.481	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCCCNC(=O)OCc2ccccc2)CC1	ZINC000268432039	550065082	/nfs/dbraw/zinc/06/50/82/550065082.db2.gz	BKDSXPCLMMRXNN-UHFFFAOYSA-N	1	1	371.481	2.251	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)C[C@H](C)O1	ZINC000268517009	550080353	/nfs/dbraw/zinc/08/03/53/550080353.db2.gz	UDOOQVZMRGXBCE-OKILXGFUSA-N	1	1	359.430	2.187	20	30		FEEDMO
N#Cc1ccnc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1[N+](=O)[O-]	ZINC000268521934	550081020	/nfs/dbraw/zinc/08/10/20/550081020.db2.gz	VGWPTHUMXORIAA-UHFFFAOYSA-N	1	1	353.382	2.480	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)CC[C@@H]21	ZINC000269121032	550157715	/nfs/dbraw/zinc/15/77/15/550157715.db2.gz	SGBHYZVDKGIEHO-BBRMVZONSA-N	1	1	360.845	2.093	20	30		FEEDMO
CC[C@@H](O)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1	ZINC000269653498	550214156	/nfs/dbraw/zinc/21/41/56/550214156.db2.gz	MTRPHELRHVFPSR-HXUWFJFHSA-N	1	1	351.450	2.448	20	30		FEEDMO
CC[C@@H](O)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1	ZINC000269653498	550214158	/nfs/dbraw/zinc/21/41/58/550214158.db2.gz	MTRPHELRHVFPSR-HXUWFJFHSA-N	1	1	351.450	2.448	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000269671968	550215665	/nfs/dbraw/zinc/21/56/65/550215665.db2.gz	OEZIXRTZDUSQGM-HXUWFJFHSA-N	1	1	366.421	2.318	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1	ZINC000270016448	550243749	/nfs/dbraw/zinc/24/37/49/550243749.db2.gz	ZQBJRAIPYLIPDD-OAQYLSRUSA-N	1	1	363.461	2.448	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)OCC	ZINC000270049557	550245522	/nfs/dbraw/zinc/24/55/22/550245522.db2.gz	QWGZLRDGKFBCJP-HXUWFJFHSA-N	1	1	359.514	2.422	20	30		FEEDMO
CC(=O)N1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC12CCCCC2	ZINC000270944748	550324298	/nfs/dbraw/zinc/32/42/98/550324298.db2.gz	ZHJVHHZTULAITM-LJQANCHMSA-N	1	1	371.481	2.165	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CC1	ZINC000271480431	550378510	/nfs/dbraw/zinc/37/85/10/550378510.db2.gz	SMUNPQPIOPYMEC-UHFFFAOYSA-N	1	1	363.483	2.060	20	30		FEEDMO
C=CC[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CC1	ZINC000271480431	550378512	/nfs/dbraw/zinc/37/85/12/550378512.db2.gz	SMUNPQPIOPYMEC-UHFFFAOYSA-N	1	1	363.483	2.060	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000271847271	550405697	/nfs/dbraw/zinc/40/56/97/550405697.db2.gz	GWMJXBHNGWFRNA-CQSZACIVSA-N	1	1	368.412	2.273	20	30		FEEDMO
C#CCCN1CC[NH+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1	ZINC000271950565	550412738	/nfs/dbraw/zinc/41/27/38/550412738.db2.gz	AUWGMCLTZLHGAA-MRXNPFEDSA-N	1	1	356.388	2.086	20	30		FEEDMO
C[C@H](C(=O)N1CCC(C)(C#N)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000272578014	550458947	/nfs/dbraw/zinc/45/89/47/550458947.db2.gz	XLXPZAKLDMHODW-MRXNPFEDSA-N	1	1	358.461	2.488	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000273048195	550482469	/nfs/dbraw/zinc/48/24/69/550482469.db2.gz	BAQBCXPGEJJAPE-KRWDZBQOSA-N	1	1	367.409	2.430	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1	ZINC000273105300	550485306	/nfs/dbraw/zinc/48/53/06/550485306.db2.gz	MYBLIITUNURBBL-ZBFHGGJFSA-N	1	1	368.275	2.127	20	30		FEEDMO
C#CCCN1CC[NH+](C[C@@H](O)COc2ccccc2C(F)(F)F)CC1	ZINC000273152158	550487417	/nfs/dbraw/zinc/48/74/17/550487417.db2.gz	MCZIQXNSUBFLST-OAHLLOKOSA-N	1	1	356.388	2.086	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C(F)F	ZINC000275460423	550572228	/nfs/dbraw/zinc/57/22/28/550572228.db2.gz	MSINWWFDLCAGIG-MNOVXSKESA-N	1	1	365.384	2.482	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc(COc3c(OC)cccc3OC)no2)CC1	ZINC000277870470	550723687	/nfs/dbraw/zinc/72/36/87/550723687.db2.gz	KHLLBXGRWDJPAT-UHFFFAOYSA-N	1	1	357.410	2.478	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c(-c2ccncc2)n1	ZINC000279406175	550886461	/nfs/dbraw/zinc/88/64/61/550886461.db2.gz	NANQSAWCRDAVGW-SFHVURJKSA-N	1	1	364.453	2.102	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c(-c2ccncc2)n1	ZINC000279406175	550886463	/nfs/dbraw/zinc/88/64/63/550886463.db2.gz	NANQSAWCRDAVGW-SFHVURJKSA-N	1	1	364.453	2.102	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@](C)(C(N)=O)C2)c1	ZINC000280714096	551024338	/nfs/dbraw/zinc/02/43/38/551024338.db2.gz	JNDPKVJDJJWMTB-UZLBHIALSA-N	1	1	356.470	2.136	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@](C)(C(N)=O)C3)sc2C1	ZINC000280868326	551040903	/nfs/dbraw/zinc/04/09/03/551040903.db2.gz	ZJAUXQIUFGNWLX-CWTRNNRKSA-N	1	1	374.510	2.270	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@](C)(C(N)=O)C3)sc2C1	ZINC000280868318	551040921	/nfs/dbraw/zinc/04/09/21/551040921.db2.gz	ZJAUXQIUFGNWLX-BUXKBTBVSA-N	1	1	374.510	2.270	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](OCc2ccncc2)C1	ZINC000280976388	551050976	/nfs/dbraw/zinc/05/09/76/551050976.db2.gz	KWVFVOZOYRXAJC-WMZOPIPTSA-N	1	1	356.470	2.404	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](OCc2ccncc2)C1	ZINC000280976388	551050977	/nfs/dbraw/zinc/05/09/77/551050977.db2.gz	KWVFVOZOYRXAJC-WMZOPIPTSA-N	1	1	356.470	2.404	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1=O	ZINC000281282752	551080931	/nfs/dbraw/zinc/08/09/31/551080931.db2.gz	IUHGUVAUZBQLCY-YSIASYRMSA-N	1	1	358.482	2.160	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)CC2)o1	ZINC000281531314	551109399	/nfs/dbraw/zinc/10/93/99/551109399.db2.gz	HVYMGMFFJCFQEZ-KRWDZBQOSA-N	1	1	371.485	2.204	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1(C)C	ZINC000281867064	551150556	/nfs/dbraw/zinc/15/05/56/551150556.db2.gz	VZYBYMNDAAXWQV-UHFFFAOYSA-N	1	1	373.423	2.338	20	30		FEEDMO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000282644896	551255508	/nfs/dbraw/zinc/25/55/08/551255508.db2.gz	QCGMSAUOKPCFDR-MAUKXSAKSA-N	1	1	367.501	2.318	20	30		FEEDMO
COC(=O)[C@]1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C	ZINC000282778357	551269247	/nfs/dbraw/zinc/26/92/47/551269247.db2.gz	QCRTZZWGNBDTJC-FOIQADDNSA-N	1	1	367.453	2.490	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c(F)c1	ZINC000283086318	551309410	/nfs/dbraw/zinc/30/94/10/551309410.db2.gz	YOSUACGRMOEXCJ-OLZOCXBDSA-N	1	1	363.408	2.121	20	30		FEEDMO
COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(C#N)ccn3)CC2)cc1	ZINC000283239349	551334501	/nfs/dbraw/zinc/33/45/01/551334501.db2.gz	JHEOOIPGLCBVJD-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(C#N)ccn3)CC2)cc1	ZINC000283239349	551334504	/nfs/dbraw/zinc/33/45/04/551334504.db2.gz	JHEOOIPGLCBVJD-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCn1cc[nH+]c1C	ZINC000283938574	551453640	/nfs/dbraw/zinc/45/36/40/551453640.db2.gz	HBQHZWGLBNQJRY-UHFFFAOYSA-N	1	1	367.453	2.008	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000284074703	551479343	/nfs/dbraw/zinc/47/93/43/551479343.db2.gz	RONMEPRZHNRGFI-YJBOKZPZSA-N	1	1	356.470	2.116	20	30		FEEDMO
CN1CCO[C@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]21	ZINC000284233157	551506768	/nfs/dbraw/zinc/50/67/68/551506768.db2.gz	DPKYMUQDNHAIDR-UXHICEINSA-N	1	1	365.481	2.369	20	30		FEEDMO
CN1CCO[C@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]21	ZINC000284233157	551506769	/nfs/dbraw/zinc/50/67/69/551506769.db2.gz	DPKYMUQDNHAIDR-UXHICEINSA-N	1	1	365.481	2.369	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1	ZINC000284360563	551532510	/nfs/dbraw/zinc/53/25/10/551532510.db2.gz	BHHVHWDOJBJWOT-MRXNPFEDSA-N	1	1	370.497	2.143	20	30		FEEDMO
C[C@](C#N)(NC(=O)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CC1	ZINC000285679842	551794520	/nfs/dbraw/zinc/79/45/20/551794520.db2.gz	USZLFHIACLNYHB-FGZHOGPDSA-N	1	1	366.509	2.393	20	30		FEEDMO
CN(CCC#N)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000285713075	551799451	/nfs/dbraw/zinc/79/94/51/551799451.db2.gz	CBFVQWIHGVIAPK-MOPGFXCFSA-N	1	1	351.454	2.008	20	30		FEEDMO
C[C@H](CCN1CCN(C)CC1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000286026282	551839849	/nfs/dbraw/zinc/83/98/49/551839849.db2.gz	IXWVUFBPWKHTNR-GOSISDBHSA-N	1	1	355.530	2.143	20	30		FEEDMO
CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000286386724	551881930	/nfs/dbraw/zinc/88/19/30/551881930.db2.gz	IQOVDNOUXBDFCN-MRXNPFEDSA-N	1	1	353.426	2.489	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)CCCCF)CC2)cc1	ZINC000286794968	551926721	/nfs/dbraw/zinc/92/67/21/551926721.db2.gz	YFZOTAYLYMYKRW-UHFFFAOYSA-N	1	1	353.463	2.145	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)CCCCF)CC2)cc1	ZINC000286794968	551926723	/nfs/dbraw/zinc/92/67/23/551926723.db2.gz	YFZOTAYLYMYKRW-UHFFFAOYSA-N	1	1	353.463	2.145	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000286844512	551932753	/nfs/dbraw/zinc/93/27/53/551932753.db2.gz	KPAJVGKCZPTHOM-CABCVRRESA-N	1	1	351.472	2.426	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000286919235	551940230	/nfs/dbraw/zinc/94/02/30/551940230.db2.gz	AWPJPNSOIYZLNP-RTWAWAEBSA-N	1	1	370.541	2.192	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC([N@@H+](C)CCCO)CC1	ZINC000287678608	552033452	/nfs/dbraw/zinc/03/34/52/552033452.db2.gz	AKLMFBOYJOUMRM-IBGZPJMESA-N	1	1	357.498	2.109	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)[C@H](C)C1	ZINC000287982911	552070725	/nfs/dbraw/zinc/07/07/25/552070725.db2.gz	VUHAUKQLCDDSKZ-CQSZACIVSA-N	1	1	360.483	2.183	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)[C@H](C)C1	ZINC000287982911	552070727	/nfs/dbraw/zinc/07/07/27/552070727.db2.gz	VUHAUKQLCDDSKZ-CQSZACIVSA-N	1	1	360.483	2.183	20	30		FEEDMO
COCC[N@@H+](C)CC[C@H](NC(=O)Cc1noc(C)c1C#N)c1ccccc1	ZINC000499960971	561562974	/nfs/dbraw/zinc/56/29/74/561562974.db2.gz	VPKSNEORFDAASF-SFHVURJKSA-N	1	1	370.453	2.223	20	30		FEEDMO
CC(C)(C#N)Cc1nc(-c2ccccc2C[N@@H+]2CCC[C@H]2C(N)=O)no1	ZINC000289181805	552278739	/nfs/dbraw/zinc/27/87/39/552278739.db2.gz	VZDWUZZJLNHSEF-HNNXBMFYSA-N	1	1	353.426	2.279	20	30		FEEDMO
CC(C)(C#N)Cc1nc(-c2ccccc2C[N@H+]2CCC[C@H]2C(N)=O)no1	ZINC000289181805	552278740	/nfs/dbraw/zinc/27/87/40/552278740.db2.gz	VZDWUZZJLNHSEF-HNNXBMFYSA-N	1	1	353.426	2.279	20	30		FEEDMO
C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(F)cc1F	ZINC000289778977	552376699	/nfs/dbraw/zinc/37/66/99/552376699.db2.gz	IYUXDHXRSLWRGO-NSHDSACASA-N	1	1	351.378	2.356	20	30		FEEDMO
C=CCOc1c(Br)cc(C[N@@H+](C)CCC(N)=O)cc1OC	ZINC000289786913	552378285	/nfs/dbraw/zinc/37/82/85/552378285.db2.gz	RWYNRDRLQANWAH-UHFFFAOYSA-N	1	1	357.248	2.330	20	30		FEEDMO
C=CCCCNC(=O)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289813162	552382508	/nfs/dbraw/zinc/38/25/08/552382508.db2.gz	RIKVKOWWGXSAPQ-LJQANCHMSA-N	1	1	357.498	2.439	20	30		FEEDMO
CCS[C@@H]1CCCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000290205305	552442361	/nfs/dbraw/zinc/44/23/61/552442361.db2.gz	GXCIISVUNDIWAH-OAHLLOKOSA-N	1	1	353.513	2.335	20	30		FEEDMO
CCS[C@@H]1CCCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000290205305	552442365	/nfs/dbraw/zinc/44/23/65/552442365.db2.gz	GXCIISVUNDIWAH-OAHLLOKOSA-N	1	1	353.513	2.335	20	30		FEEDMO
CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000290345390	552464272	/nfs/dbraw/zinc/46/42/72/552464272.db2.gz	NJHRFVWXKFNRKA-OAHLLOKOSA-N	1	1	360.458	2.153	20	30		FEEDMO
C[NH+]1CCN([C@H](C(=O)Nc2n[nH]c(C3CC3)c2C#N)c2ccccc2)CC1	ZINC000290506743	552490182	/nfs/dbraw/zinc/49/01/82/552490182.db2.gz	NETVZXITJMQXBU-SFHVURJKSA-N	1	1	364.453	2.086	20	30		FEEDMO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C	ZINC000291068289	552582892	/nfs/dbraw/zinc/58/28/92/552582892.db2.gz	QJZLPOMQFBFNJC-DLBZAZTESA-N	1	1	374.533	2.257	20	30		FEEDMO
C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](CC)CC1	ZINC000291172599	552595955	/nfs/dbraw/zinc/59/59/55/552595955.db2.gz	ZGQZEZOVRRRVLY-UHFFFAOYSA-N	1	1	369.473	2.034	20	30		FEEDMO
Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292280561	552711693	/nfs/dbraw/zinc/71/16/93/552711693.db2.gz	SUIYFUKADLFOQV-ROUUACIJSA-N	1	1	353.422	2.155	20	30		FEEDMO
C[C@H](c1ccccc1)[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)C(N)=O	ZINC000292366681	552719858	/nfs/dbraw/zinc/71/98/58/552719858.db2.gz	YIDGHRCDADVDSV-UZLBHIALSA-N	1	1	364.449	2.180	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C[NH+]2CCCC2)on1	ZINC000292622810	552743716	/nfs/dbraw/zinc/74/37/16/552743716.db2.gz	NOVGEMSONPAOGL-UHFFFAOYSA-N	1	1	368.437	2.431	20	30		FEEDMO
CC[N@H+](C[C@@H](O)COc1ccc(CCOC)cc1)C[C@@H](C#N)CCC#N	ZINC000293031242	552782405	/nfs/dbraw/zinc/78/24/05/552782405.db2.gz	RPIWHWNTKSPDDC-RTBURBONSA-N	1	1	359.470	2.381	20	30		FEEDMO
CC[N@@H+](C[C@@H](O)COc1ccc(CCOC)cc1)C[C@@H](C#N)CCC#N	ZINC000293031242	552782407	/nfs/dbraw/zinc/78/24/07/552782407.db2.gz	RPIWHWNTKSPDDC-RTBURBONSA-N	1	1	359.470	2.381	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@@H]3C(N)=O)sc2C1	ZINC000293163103	552794969	/nfs/dbraw/zinc/79/49/69/552794969.db2.gz	CKCXGLGEACJMIB-IUODEOHRSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCC[C@@H]3C(N)=O)sc2C1	ZINC000293163103	552794971	/nfs/dbraw/zinc/79/49/71/552794971.db2.gz	CKCXGLGEACJMIB-IUODEOHRSA-N	1	1	374.510	2.413	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1	ZINC000293223227	552800490	/nfs/dbraw/zinc/80/04/90/552800490.db2.gz	BUWKVUZLQQWCHU-UHFFFAOYSA-N	1	1	360.216	2.142	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1OC1CCCC1	ZINC000293474122	552827488	/nfs/dbraw/zinc/82/74/88/552827488.db2.gz	VDXHYIHOUHYPOL-UHFFFAOYSA-N	1	1	357.454	2.018	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cc(COc2cccc(C(C)=O)c2)on1	ZINC000293958938	552870930	/nfs/dbraw/zinc/87/09/30/552870930.db2.gz	KWEIGGDBQNBZPK-UHFFFAOYSA-N	1	1	369.421	2.141	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1	ZINC000294050500	552878329	/nfs/dbraw/zinc/87/83/29/552878329.db2.gz	UCJLRCFIILWXGE-NRFANRHFSA-N	1	1	355.482	2.000	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC(=O)N(CCC#N)CCC#N	ZINC000501788087	561605554	/nfs/dbraw/zinc/60/55/54/561605554.db2.gz	DAMIXEACIZKZGU-RTBURBONSA-N	1	1	367.497	2.237	20	30		FEEDMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cscc1C#N	ZINC000501816411	561606164	/nfs/dbraw/zinc/60/61/64/561606164.db2.gz	IFEDBNREEDIJCA-IBGZPJMESA-N	1	1	355.463	2.329	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@H+](C2CC2)C1	ZINC000295945935	553079648	/nfs/dbraw/zinc/07/96/48/553079648.db2.gz	FAKXIKDERDEINX-LBPRGKRZSA-N	1	1	360.845	2.093	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NCc1cccc(NC(=O)[C@@H](C)CC)c1	ZINC000296502575	553170761	/nfs/dbraw/zinc/17/07/61/553170761.db2.gz	YSZQWIPSBKSMOR-INIZCTEOSA-N	1	1	358.486	2.426	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000296561010	553179841	/nfs/dbraw/zinc/17/98/41/553179841.db2.gz	NSYHRJVRMHHSFL-CYBMUJFWSA-N	1	1	362.499	2.456	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1	ZINC000297509506	553301975	/nfs/dbraw/zinc/30/19/75/553301975.db2.gz	OYYMDWYJIDIQOA-PMACEKPBSA-N	1	1	365.481	2.366	20	30		FEEDMO
C=CCc1cc(C(=O)NCCC[N@H+](C)CCOC)cc(OC)c1OC	ZINC000298363670	553416907	/nfs/dbraw/zinc/41/69/07/553416907.db2.gz	BNTAVQQSJDBXGB-UHFFFAOYSA-N	1	1	350.459	2.130	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CNc1ccc(C#N)cn1	ZINC000601707128	553460015	/nfs/dbraw/zinc/46/00/15/553460015.db2.gz	VVXURWFCOIGTIX-APWZRJJASA-N	1	1	363.465	2.249	20	30		FEEDMO
COc1nc(N2CC[NH+]([C@@H](C)CCC#N)CC2)ncc1Br	ZINC000299193803	553528436	/nfs/dbraw/zinc/52/84/36/553528436.db2.gz	DOXXYPYVBDIEGC-NSHDSACASA-N	1	1	354.252	2.062	20	30		FEEDMO
CCCc1cc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n2ncnc2n1	ZINC000299083231	553513097	/nfs/dbraw/zinc/51/30/97/553513097.db2.gz	YJDWZJDPLVXRQW-UHFFFAOYSA-N	1	1	361.453	2.271	20	30		FEEDMO
CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000299142850	553521022	/nfs/dbraw/zinc/52/10/22/553521022.db2.gz	AEBGAVJRWFTXQE-APWZRJJASA-N	1	1	370.497	2.191	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000299183753	553526644	/nfs/dbraw/zinc/52/66/44/553526644.db2.gz	QGZSJACGPRVRMT-WOJBJXKFSA-N	1	1	369.509	2.186	20	30		FEEDMO
C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000504445526	561658342	/nfs/dbraw/zinc/65/83/42/561658342.db2.gz	JTTWDXMWGIHKQP-GHMZBOCLSA-N	1	1	369.874	2.094	20	30		FEEDMO
C#CCNC(=O)c1ccc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)nc1	ZINC000301323915	553642295	/nfs/dbraw/zinc/64/22/95/553642295.db2.gz	WXPGFHYXSGECKT-APWZRJJASA-N	1	1	363.465	2.162	20	30		FEEDMO
C=CCNC(=O)c1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)nc1	ZINC000301700142	553673137	/nfs/dbraw/zinc/67/31/37/553673137.db2.gz	FKPANTPXEAROMD-UHFFFAOYSA-N	1	1	354.429	2.459	20	30		FEEDMO
CC(=O)c1ccc(C#N)cc1N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000302118004	553705408	/nfs/dbraw/zinc/70/54/08/553705408.db2.gz	SGKYZHSUFFSKLH-UHFFFAOYSA-N	1	1	368.481	2.141	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1	ZINC000327624616	553790125	/nfs/dbraw/zinc/79/01/25/553790125.db2.gz	OCLYEGPCMKHZPN-ZBFHGGJFSA-N	1	1	358.360	2.077	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1	ZINC000328354255	553794012	/nfs/dbraw/zinc/79/40/12/553794012.db2.gz	SVDYKDUNDSBDGJ-IPMKNSEASA-N	1	1	362.495	2.347	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1	ZINC000328354255	553794013	/nfs/dbraw/zinc/79/40/13/553794013.db2.gz	SVDYKDUNDSBDGJ-IPMKNSEASA-N	1	1	362.495	2.347	20	30		FEEDMO
O=C(Nc1ccccc1)N1CC[C@H](NC(=O)N2CC[NH+](C3CC3)CC2)C1	ZINC000328739341	553814969	/nfs/dbraw/zinc/81/49/69/553814969.db2.gz	HVVQTTRNTPAQCL-INIZCTEOSA-N	1	1	357.458	2.000	20	30		FEEDMO
C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000328753766	553816928	/nfs/dbraw/zinc/81/69/28/553816928.db2.gz	SHYBTKYQFISWCN-GJZGRUSLSA-N	1	1	351.491	2.233	20	30		FEEDMO
O=C(CCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)NC1CCCC1	ZINC000328777572	553820998	/nfs/dbraw/zinc/82/09/98/553820998.db2.gz	LLLLLEPDERUOCO-KRWDZBQOSA-N	1	1	351.491	2.379	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@H](c3nccn3C)C2)C[C@H](C)O1	ZINC000328804764	553824794	/nfs/dbraw/zinc/82/47/94/553824794.db2.gz	HKJIFXVXSHHWJS-XHSDSOJGSA-N	1	1	363.506	2.011	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](c3nccn3C)C2)C[C@H](C)O1	ZINC000328804764	553824796	/nfs/dbraw/zinc/82/47/96/553824796.db2.gz	HKJIFXVXSHHWJS-XHSDSOJGSA-N	1	1	363.506	2.011	20	30		FEEDMO
C[N@@H+](CC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)[C@H]1CCSC1	ZINC000328805704	553824960	/nfs/dbraw/zinc/82/49/60/553824960.db2.gz	KVRHLTVYFUBXRA-GXTWGEPZSA-N	1	1	351.447	2.325	20	30		FEEDMO
C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000328846687	553831572	/nfs/dbraw/zinc/83/15/72/553831572.db2.gz	VPCQYOYLVOHKIG-XBVQOTNRSA-N	1	1	352.500	2.497	20	30		FEEDMO
COCC(=O)N1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000328895279	553840191	/nfs/dbraw/zinc/84/01/91/553840191.db2.gz	BHUTXYDUVSQYMJ-VQIMIIECSA-N	1	1	373.497	2.348	20	30		FEEDMO
O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)Nc1ccc2c(c1)OCO2	ZINC000328934393	553847911	/nfs/dbraw/zinc/84/79/11/553847911.db2.gz	FENPQCZSMCBKDR-CZUORRHYSA-N	1	1	371.437	2.479	20	30		FEEDMO
O=C(C[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)Nc1ccc2c(c1)OCO2	ZINC000328934393	553847914	/nfs/dbraw/zinc/84/79/14/553847914.db2.gz	FENPQCZSMCBKDR-CZUORRHYSA-N	1	1	371.437	2.479	20	30		FEEDMO
C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000328938664	553849353	/nfs/dbraw/zinc/84/93/53/553849353.db2.gz	DMLMJBNKJDSMDJ-ZWOKBUDYSA-N	1	1	368.437	2.360	20	30		FEEDMO
C[N@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@H](c2ccccc2)C1	ZINC000328996855	553861341	/nfs/dbraw/zinc/86/13/41/553861341.db2.gz	FSLUBRLWDBTRML-ILXRZTDVSA-N	1	1	369.387	2.452	20	30		FEEDMO
Cc1noc([C@@H]2CC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000329014295	553864445	/nfs/dbraw/zinc/86/44/45/553864445.db2.gz	FSYQEHWQRNHOFM-NVXWUHKLSA-N	1	1	351.410	2.235	20	30		FEEDMO
Cc1noc([C@@H]2CC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000329014295	553864446	/nfs/dbraw/zinc/86/44/46/553864446.db2.gz	FSYQEHWQRNHOFM-NVXWUHKLSA-N	1	1	351.410	2.235	20	30		FEEDMO
CN(C)[C@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1cncn1C	ZINC000329081782	553877074	/nfs/dbraw/zinc/87/70/74/553877074.db2.gz	DFNDMAXBZWEETL-KRWDZBQOSA-N	1	1	363.506	2.014	20	30		FEEDMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1(N2CCOCC2)CCC1	ZINC000329103907	553880998	/nfs/dbraw/zinc/88/09/98/553880998.db2.gz	NVSSXSQQXVOGSQ-UHFFFAOYSA-N	1	1	365.518	2.233	20	30		FEEDMO
O=C(C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1)NC[C@@H]1CCCO1	ZINC000329115895	553883191	/nfs/dbraw/zinc/88/31/91/553883191.db2.gz	NBEBWFWGOFQCQN-IRXDYDNUSA-N	1	1	363.502	2.237	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1	ZINC000329184789	553897584	/nfs/dbraw/zinc/89/75/84/553897584.db2.gz	OKQHFCXPMRCGOM-IOASZLSFSA-N	1	1	362.380	2.198	20	30		FEEDMO
CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC3(CCCCC3)O2)[N@@H+](C)C1	ZINC000329190460	553898789	/nfs/dbraw/zinc/89/87/89/553898789.db2.gz	QBQOWCFADNXLKQ-BBWFWOEESA-N	1	1	353.507	2.433	20	30		FEEDMO
O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000329195945	553899689	/nfs/dbraw/zinc/89/96/89/553899689.db2.gz	VNMFSCVYAPOKDM-CYBMUJFWSA-N	1	1	356.426	2.076	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1	ZINC000329199932	553901056	/nfs/dbraw/zinc/90/10/56/553901056.db2.gz	WAOOGWWVMKUBCJ-UHFFFAOYSA-N	1	1	367.453	2.413	20	30		FEEDMO
CC1CCC(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1	ZINC000329247436	553910613	/nfs/dbraw/zinc/91/06/13/553910613.db2.gz	WCGDHXYQRIGRHE-ABHNRTSZSA-N	1	1	365.518	2.483	20	30		FEEDMO
Cc1cc(OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c(C)c(C)c1C#N	ZINC000506421682	561698392	/nfs/dbraw/zinc/69/83/92/561698392.db2.gz	LDEGFDZUNNCPAV-GOSISDBHSA-N	1	1	373.497	2.335	20	30		FEEDMO
Cc1cc(C)n(-c2ccc(CNC(=O)N[C@H]3CC[N@H+](C4CC4)C3)cn2)n1	ZINC000329284574	553917988	/nfs/dbraw/zinc/91/79/88/553917988.db2.gz	GDARJCIPXFVRTQ-INIZCTEOSA-N	1	1	354.458	2.124	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3cc(F)cc4c3OCOC4)[C@@H]2C1	ZINC000329299039	553920424	/nfs/dbraw/zinc/92/04/24/553920424.db2.gz	UXHRJRHQAWNQGF-CXAGYDPISA-N	1	1	363.433	2.175	20	30		FEEDMO
O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[C@H]1CCC[N@H+]1C1CCCC1	ZINC000329309994	553922392	/nfs/dbraw/zinc/92/23/92/553922392.db2.gz	ZHJQNDWBBFUVRK-RHSMWYFYSA-N	1	1	369.531	2.307	20	30		FEEDMO
Cc1nc([C@@H]2CCCN2C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)no1	ZINC000329329370	553926422	/nfs/dbraw/zinc/92/64/22/553926422.db2.gz	VFVICPVJQXMACK-YDHLFZDLSA-N	1	1	365.478	2.317	20	30		FEEDMO
C[C@H](NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C1=CC[N@@H+](C)CC1	ZINC000329360031	553931306	/nfs/dbraw/zinc/93/13/06/553931306.db2.gz	XTVFTGTXRRBNAX-BBBYJDLNSA-N	1	1	357.520	2.091	20	30		FEEDMO
C[C@@H](NC(=O)CS(=O)(=O)NC1CCC(C)CC1)C1=CC[N@@H+](C)CC1	ZINC000329360032	553932052	/nfs/dbraw/zinc/93/20/52/553932052.db2.gz	XTVFTGTXRRBNAX-NPCAHTBFSA-N	1	1	357.520	2.091	20	30		FEEDMO
O=C(NCC[NH+]1CCSCC1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O	ZINC000329435054	553946693	/nfs/dbraw/zinc/94/66/93/553946693.db2.gz	LKBZYDFMTXDHQW-ZDUSSCGKSA-N	1	1	369.437	2.323	20	30		FEEDMO
C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCS1	ZINC000329474961	553953850	/nfs/dbraw/zinc/95/38/50/553953850.db2.gz	NOOPHRYPPLHQQY-OFQRWUPVSA-N	1	1	351.520	2.154	20	30		FEEDMO
Cn1ccnc1[C@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F	ZINC000329503050	553958790	/nfs/dbraw/zinc/95/87/90/553958790.db2.gz	YYQCZJXCPLUQIJ-RHSMWYFYSA-N	1	1	357.433	2.343	20	30		FEEDMO
COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1OC	ZINC000329620956	553978226	/nfs/dbraw/zinc/97/82/26/553978226.db2.gz	GVMWCIQRCLRALN-GOEBONIOSA-N	1	1	363.458	2.087	20	30		FEEDMO
COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1OC	ZINC000329620956	553978229	/nfs/dbraw/zinc/97/82/29/553978229.db2.gz	GVMWCIQRCLRALN-GOEBONIOSA-N	1	1	363.458	2.087	20	30		FEEDMO
C[C@H](CNC(=O)N1CCO[C@@H](C2CCCCC2)C1)C[NH+]1CCOCC1	ZINC000329637768	553980749	/nfs/dbraw/zinc/98/07/49/553980749.db2.gz	YNFZGOBHEZGCHG-SJLPKXTDSA-N	1	1	353.507	2.150	20	30		FEEDMO
CN1C(=O)CO[C@H](C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@H]1c1ccccc1	ZINC000329788956	554006041	/nfs/dbraw/zinc/00/60/41/554006041.db2.gz	SCORRYOLGYGESN-KYNGSXCRSA-N	1	1	357.454	2.026	20	30		FEEDMO
C[C@@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC12CCCCC2	ZINC000329804240	554009032	/nfs/dbraw/zinc/00/90/32/554009032.db2.gz	KFRDAEVHRATFOT-QGZVFWFLSA-N	1	1	364.534	2.357	20	30		FEEDMO
C[C@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC12CCCCC2	ZINC000329804239	554009235	/nfs/dbraw/zinc/00/92/35/554009235.db2.gz	KFRDAEVHRATFOT-KRWDZBQOSA-N	1	1	364.534	2.357	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4F)C3)CC[C@H]21	ZINC000329842245	554017073	/nfs/dbraw/zinc/01/70/73/554017073.db2.gz	WZHAPCFAPCEMFF-BFYDXBDKSA-N	1	1	374.460	2.261	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4F)C3)CC[C@@H]21	ZINC000329842247	554017115	/nfs/dbraw/zinc/01/71/15/554017115.db2.gz	WZHAPCFAPCEMFF-INMHGKMJSA-N	1	1	374.460	2.261	20	30		FEEDMO
CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC=CCC2)cc[nH+]1	ZINC000329904512	554028294	/nfs/dbraw/zinc/02/82/94/554028294.db2.gz	JELQTJCZKHUQEI-KKUMJFAQSA-N	1	1	362.453	2.072	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)CC[S@](=O)c2ccc3c(c2)OCCO3)CC[N@H+]1C	ZINC000329918660	554031418	/nfs/dbraw/zinc/03/14/18/554031418.db2.gz	ZWZZALJPDTYFCT-IEBYYPBYSA-N	1	1	366.483	2.395	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCOC2(CCCCC2)C1	ZINC000329959686	554039326	/nfs/dbraw/zinc/03/93/26/554039326.db2.gz	NKFQIACYUROMEP-MSOLQXFVSA-N	1	1	366.550	2.398	20	30		FEEDMO
CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000329962673	554039538	/nfs/dbraw/zinc/03/95/38/554039538.db2.gz	SHAWNGRDUJBLGG-RDTXWAMCSA-N	1	1	351.491	2.233	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1	ZINC000329985922	554044509	/nfs/dbraw/zinc/04/45/09/554044509.db2.gz	RKQYHBCCAHEMHL-LJQANCHMSA-N	1	1	372.513	2.466	20	30		FEEDMO
CC(=O)N1CCC[C@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1	ZINC000329989313	554045054	/nfs/dbraw/zinc/04/50/54/554045054.db2.gz	HYCSZFKPIUVGJW-DOTOQJQBSA-N	1	1	352.523	2.259	20	30		FEEDMO
O=C(Cn1cc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cn1)NC1CCCC1	ZINC000330008454	554048489	/nfs/dbraw/zinc/04/84/89/554048489.db2.gz	FLMPHEBFLYOXAF-MRXNPFEDSA-N	1	1	360.462	2.108	20	30		FEEDMO
CC(=O)N1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)[C@H](C)C1	ZINC000330084842	554061863	/nfs/dbraw/zinc/06/18/63/554061863.db2.gz	LGEXFZQYXLAXGZ-APWZRJJASA-N	1	1	364.534	2.498	20	30		FEEDMO
Cc1ccnc(N2CCN(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)c1	ZINC000330134237	554071438	/nfs/dbraw/zinc/07/14/38/554071438.db2.gz	MHHSHLJFMCJCHV-AYHJJNSGSA-N	1	1	357.502	2.441	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)C[N@H+]1C1CC1	ZINC000330181114	554079767	/nfs/dbraw/zinc/07/97/67/554079767.db2.gz	GJTQSJMNNIZCOV-WOPDTQHZSA-N	1	1	362.396	2.366	20	30		FEEDMO
Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1N1CCNC1=O	ZINC000330206284	554085170	/nfs/dbraw/zinc/08/51/70/554085170.db2.gz	DDLHZMJKSKVHES-HZPDHXFCSA-N	1	1	357.458	2.491	20	30		FEEDMO
C[C@@H]1C[C@@H](CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CCO1	ZINC000330231920	554089944	/nfs/dbraw/zinc/08/99/44/554089944.db2.gz	RGCNYJWKDIFREZ-BBWFWOEESA-N	1	1	353.507	2.291	20	30		FEEDMO
COc1cccc([C@@H](C)[NH+]2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1	ZINC000507716395	561738867	/nfs/dbraw/zinc/73/88/67/561738867.db2.gz	HALLHUOKBHXNEC-UTKZUKDTSA-N	1	1	372.513	2.428	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)C1	ZINC000330262087	554095023	/nfs/dbraw/zinc/09/50/23/554095023.db2.gz	UQWGBQFXZPPOCS-IIDMSEBBSA-N	1	1	361.490	2.016	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000330385919	554114408	/nfs/dbraw/zinc/11/44/08/554114408.db2.gz	LSLXXITWTRUDBM-KURKYZTESA-N	1	1	370.563	2.299	20	30		FEEDMO
COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1	ZINC000330487673	554127783	/nfs/dbraw/zinc/12/77/83/554127783.db2.gz	HUFVGPXKMGRHAX-HUUCEWRRSA-N	1	1	361.442	2.239	20	30		FEEDMO
COC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1	ZINC000330487673	554127784	/nfs/dbraw/zinc/12/77/84/554127784.db2.gz	HUFVGPXKMGRHAX-HUUCEWRRSA-N	1	1	361.442	2.239	20	30		FEEDMO
Cc1cc(C(=O)NCC2=CC[N@@H+](C)CC2)cc(S(=O)(=O)N(C)C)c1C	ZINC000330682198	554157010	/nfs/dbraw/zinc/15/70/10/554157010.db2.gz	HHKMNYWAATVRPH-UHFFFAOYSA-N	1	1	365.499	2.120	20	30		FEEDMO
CC(C)Oc1c(F)cc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1F	ZINC000330806597	554174294	/nfs/dbraw/zinc/17/42/94/554174294.db2.gz	HREBLXQFXIDHDU-ZDUSSCGKSA-N	1	1	356.417	2.324	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)NCc2cc(Br)cs2)C1	ZINC000330838389	554177745	/nfs/dbraw/zinc/17/77/45/554177745.db2.gz	MFKQJZGHXGXOGG-NSHDSACASA-N	1	1	362.293	2.235	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000508333678	561759190	/nfs/dbraw/zinc/75/91/90/561759190.db2.gz	NSQMQTZVEAPXDG-UHFFFAOYSA-N	1	1	361.486	2.016	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1	ZINC000330928422	554190101	/nfs/dbraw/zinc/19/01/01/554190101.db2.gz	ZERZWSOAMJMQPY-AWEZNQCLSA-N	1	1	367.490	2.403	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1	ZINC000330928422	554190102	/nfs/dbraw/zinc/19/01/02/554190102.db2.gz	ZERZWSOAMJMQPY-AWEZNQCLSA-N	1	1	367.490	2.403	20	30		FEEDMO
CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)C1	ZINC000330959974	554194212	/nfs/dbraw/zinc/19/42/12/554194212.db2.gz	XOUHILIJWURXOX-LALPHHSUSA-N	1	1	352.866	2.113	20	30		FEEDMO
CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)C1	ZINC000330959974	554194214	/nfs/dbraw/zinc/19/42/14/554194214.db2.gz	XOUHILIJWURXOX-LALPHHSUSA-N	1	1	352.866	2.113	20	30		FEEDMO
CC(C)NC(=O)NC1(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CCCCC1	ZINC000330970423	554195687	/nfs/dbraw/zinc/19/56/87/554195687.db2.gz	JJKKJBBUSUUSFI-MRXNPFEDSA-N	1	1	352.523	2.449	20	30		FEEDMO
CC(=O)Nc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(Cl)c1	ZINC000331026403	554202805	/nfs/dbraw/zinc/20/28/05/554202805.db2.gz	PDCKMNHCOCFAJE-NWDGAFQWSA-N	1	1	368.865	2.231	20	30		FEEDMO
CC(=O)Nc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c(Cl)c1	ZINC000331026403	554202807	/nfs/dbraw/zinc/20/28/07/554202807.db2.gz	PDCKMNHCOCFAJE-NWDGAFQWSA-N	1	1	368.865	2.231	20	30		FEEDMO
CC[C@@H](C)n1ncc(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1C	ZINC000331167743	554224811	/nfs/dbraw/zinc/22/48/11/554224811.db2.gz	YRTLLJCNNVLVAM-CYBMUJFWSA-N	1	1	364.494	2.041	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)[C@H](C)C1	ZINC000331188711	554228391	/nfs/dbraw/zinc/22/83/91/554228391.db2.gz	PUZAVLNQNYLDCF-MBNYWOFBSA-N	1	1	351.413	2.408	20	30		FEEDMO
CC(=O)Nc1ccc(F)c(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000331209845	554231565	/nfs/dbraw/zinc/23/15/65/554231565.db2.gz	XANDRCXLINVREI-BETUJISGSA-N	1	1	366.437	2.371	20	30		FEEDMO
CC(=O)Nc1ccc(F)c(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000331209845	554231571	/nfs/dbraw/zinc/23/15/71/554231571.db2.gz	XANDRCXLINVREI-BETUJISGSA-N	1	1	366.437	2.371	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)NC(=O)c2ccccc2)CC[N@H+]1CC(C)(C)O	ZINC000331299388	554243610	/nfs/dbraw/zinc/24/36/10/554243610.db2.gz	QASHPSQKQQPLLI-OAHLLOKOSA-N	1	1	361.486	2.073	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H](CNC(N)=O)C2)C1	ZINC000331335905	554248554	/nfs/dbraw/zinc/24/85/54/554248554.db2.gz	UUXGXLDYMZBCSV-CVEARBPZSA-N	1	1	353.511	2.063	20	30		FEEDMO
C=CCn1c(CCCc2ccccc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1	ZINC000508886589	561776800	/nfs/dbraw/zinc/77/68/00/561776800.db2.gz	CEGRWXYKOIHNDY-LJQANCHMSA-N	1	1	367.497	2.160	20	30		FEEDMO
C=CCn1c(CCCc2ccccc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1	ZINC000508886589	561776801	/nfs/dbraw/zinc/77/68/01/561776801.db2.gz	CEGRWXYKOIHNDY-LJQANCHMSA-N	1	1	367.497	2.160	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000331874946	554336139	/nfs/dbraw/zinc/33/61/39/554336139.db2.gz	PCXHQDAYDWMORG-QZTJIDSGSA-N	1	1	355.486	2.079	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000332222225	554403843	/nfs/dbraw/zinc/40/38/43/554403843.db2.gz	AULPOQYXRLCEMT-ZIAGYGMSSA-N	1	1	373.400	2.482	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(C#N)cc3C)CC2)c1	ZINC000332332434	554427191	/nfs/dbraw/zinc/42/71/91/554427191.db2.gz	CBSXZJWGQLLANI-UHFFFAOYSA-N	1	1	356.451	2.081	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC[N@H+]1C	ZINC000332534704	554465855	/nfs/dbraw/zinc/46/58/55/554465855.db2.gz	IKNPAJUTWNSUAC-CABCVRRESA-N	1	1	359.449	2.012	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC[N@H+]1C	ZINC000332534707	554466016	/nfs/dbraw/zinc/46/60/16/554466016.db2.gz	IKNPAJUTWNSUAC-LSDHHAIUSA-N	1	1	359.449	2.012	20	30		FEEDMO
C[C@H]1CCN(C(=O)Nc2nn(C)cc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000610561656	554528676	/nfs/dbraw/zinc/52/86/76/554528676.db2.gz	AQMUHURDVVHUBF-HNNXBMFYSA-N	1	1	352.442	2.420	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)n1	ZINC000332942224	554546430	/nfs/dbraw/zinc/54/64/30/554546430.db2.gz	UDBTWNYFYQOGEZ-SJLPKXTDSA-N	1	1	367.497	2.079	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000510680748	561843307	/nfs/dbraw/zinc/84/33/07/561843307.db2.gz	GMWBQNUJZZBMDS-TZMCWYRMSA-N	1	1	360.376	2.068	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000510680748	561843308	/nfs/dbraw/zinc/84/33/08/561843308.db2.gz	GMWBQNUJZZBMDS-TZMCWYRMSA-N	1	1	360.376	2.068	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1	ZINC000361904449	554937552	/nfs/dbraw/zinc/93/75/52/554937552.db2.gz	ACDFCIWXIAMFEG-IRXDYDNUSA-N	1	1	357.454	2.278	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3[C@@H]4CCCC[C@@H]4C[C@H]3C(N)=O)o2)cc1	ZINC000363447045	555107918	/nfs/dbraw/zinc/10/79/18/555107918.db2.gz	ANUNUEAJPJYOIL-OAGGEKHMSA-N	1	1	351.410	2.227	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3[C@@H]4CCCC[C@@H]4C[C@H]3C(N)=O)o2)cc1	ZINC000363447045	555107921	/nfs/dbraw/zinc/10/79/21/555107921.db2.gz	ANUNUEAJPJYOIL-OAGGEKHMSA-N	1	1	351.410	2.227	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1	ZINC000363650348	555155173	/nfs/dbraw/zinc/15/51/73/555155173.db2.gz	DPOFTASPPGJLMB-AWEZNQCLSA-N	1	1	365.437	2.108	20	30		FEEDMO
COC(=O)[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1cccc(C#N)c1	ZINC000363707160	555168593	/nfs/dbraw/zinc/16/85/93/555168593.db2.gz	PSTIWXUNFLYMIH-YGWPLHOASA-N	1	1	371.481	2.251	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(CNC(C)=O)o1	ZINC000364079082	555245895	/nfs/dbraw/zinc/24/58/95/555245895.db2.gz	JJPPRLULXAFQQI-WMLDXEAASA-N	1	1	360.458	2.061	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(CNC(C)=O)o1	ZINC000364079082	555245898	/nfs/dbraw/zinc/24/58/98/555245898.db2.gz	JJPPRLULXAFQQI-WMLDXEAASA-N	1	1	360.458	2.061	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000364161499	555260611	/nfs/dbraw/zinc/26/06/11/555260611.db2.gz	MNRPXKVSJFCGBR-IEBWSBKVSA-N	1	1	359.470	2.256	20	30		FEEDMO
C=CCN(C(=O)N[C@@H](C)Cn1cncn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364294197	555286242	/nfs/dbraw/zinc/28/62/42/555286242.db2.gz	TXTBQYWDCROSPY-HKUYNNGSSA-N	1	1	368.485	2.139	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O	ZINC000364434593	555313686	/nfs/dbraw/zinc/31/36/86/555313686.db2.gz	NNPZYNIIESYWPF-YCRPNKLZSA-N	1	1	366.465	2.313	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2)CC1	ZINC000512450303	561905354	/nfs/dbraw/zinc/90/53/54/561905354.db2.gz	QRHVDDUEIOMCFL-LEWJYISDSA-N	1	1	368.525	2.386	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[C@@H]1c1cccs1	ZINC000512764181	561914706	/nfs/dbraw/zinc/91/47/06/561914706.db2.gz	BVPDHRTXNSNIGB-DOTOQJQBSA-N	1	1	374.510	2.009	20	30		FEEDMO
C[C@@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)c[nH]1	ZINC000364848941	555415278	/nfs/dbraw/zinc/41/52/78/555415278.db2.gz	GHPNCIUSTKCIFY-KXBFYZLASA-N	1	1	352.438	2.248	20	30		FEEDMO
C[C@@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)c[nH]1	ZINC000364848941	555415279	/nfs/dbraw/zinc/41/52/79/555415279.db2.gz	GHPNCIUSTKCIFY-KXBFYZLASA-N	1	1	352.438	2.248	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)[nH]1	ZINC000617589527	555470365	/nfs/dbraw/zinc/47/03/65/555470365.db2.gz	DSFGIXYKTRMFNX-MRXNPFEDSA-N	1	1	370.482	2.031	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)[nH]1	ZINC000617589527	555470369	/nfs/dbraw/zinc/47/03/69/555470369.db2.gz	DSFGIXYKTRMFNX-MRXNPFEDSA-N	1	1	370.482	2.031	20	30		FEEDMO
CC1(C)C[N@H+](C2(CNC(=O)c3cnccc3C#N)CCCCC2)CCO1	ZINC000513203656	561929013	/nfs/dbraw/zinc/92/90/13/561929013.db2.gz	HXXPQKSYHKWNOI-UHFFFAOYSA-N	1	1	356.470	2.497	20	30		FEEDMO
CC[N@H+](CC(=O)N1CCCCCC1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000513222077	561929765	/nfs/dbraw/zinc/92/97/65/561929765.db2.gz	FXPXRFADIDTAKT-GOSISDBHSA-N	1	1	359.470	2.022	20	30		FEEDMO
CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000366232708	555788215	/nfs/dbraw/zinc/78/82/15/555788215.db2.gz	GXEIVJCUYLRLHN-RBUKOAKNSA-N	1	1	356.470	2.343	20	30		FEEDMO
Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000366378508	555826987	/nfs/dbraw/zinc/82/69/87/555826987.db2.gz	OLKIFCKVDHJOGE-IEBWSBKVSA-N	1	1	353.422	2.155	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000366536156	555870770	/nfs/dbraw/zinc/87/07/70/555870770.db2.gz	QSXTZHGNEJVCEG-CVEARBPZSA-N	1	1	364.490	2.080	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1	ZINC000367776702	556136439	/nfs/dbraw/zinc/13/64/39/556136439.db2.gz	GDAKKBUEMVSQDH-HXUWFJFHSA-N	1	1	364.449	2.443	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@@H](Cc4ccncc4)C3)C2=O)cc1	ZINC000368076407	556211918	/nfs/dbraw/zinc/21/19/18/556211918.db2.gz	POKBXZQYNDNOEO-PKOBYXMFSA-N	1	1	360.417	2.150	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@H](Cc4ccncc4)C3)C2=O)cc1	ZINC000368076405	556212050	/nfs/dbraw/zinc/21/20/50/556212050.db2.gz	POKBXZQYNDNOEO-IEBWSBKVSA-N	1	1	360.417	2.150	20	30		FEEDMO
N#Cc1ccc(OC2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)cc1	ZINC000368310917	556275030	/nfs/dbraw/zinc/27/50/30/556275030.db2.gz	UHROKHWNTDUAHJ-UHFFFAOYSA-N	1	1	365.437	2.233	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1	ZINC000368880957	556437322	/nfs/dbraw/zinc/43/73/22/556437322.db2.gz	WESXKVBVJMPAJT-KRWDZBQOSA-N	1	1	366.469	2.906	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1	ZINC000515607998	562016830	/nfs/dbraw/zinc/01/68/30/562016830.db2.gz	SLMHBGWVUKNYPR-DSLXNQLJSA-N	1	1	356.470	2.003	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1	ZINC000369105811	556506716	/nfs/dbraw/zinc/50/67/16/556506716.db2.gz	BACFIKSQFHGUJP-KRWDZBQOSA-N	1	1	355.486	2.380	20	30		FEEDMO
C=CCN1CC[C@H]([NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)C1=O	ZINC000369198142	556532953	/nfs/dbraw/zinc/53/29/53/556532953.db2.gz	MSQHVDUIRFPPRA-INIZCTEOSA-N	1	1	353.426	2.098	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)n1	ZINC000369255769	556552086	/nfs/dbraw/zinc/55/20/86/556552086.db2.gz	WVZFFKGXSVPLNH-GOSISDBHSA-N	1	1	372.517	2.434	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)n1	ZINC000369255769	556552088	/nfs/dbraw/zinc/55/20/88/556552088.db2.gz	WVZFFKGXSVPLNH-GOSISDBHSA-N	1	1	372.517	2.434	20	30		FEEDMO
Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)cn1	ZINC000369284441	556564542	/nfs/dbraw/zinc/56/45/42/556564542.db2.gz	RDKDUYAZOHDDSV-JKSUJKDBSA-N	1	1	373.482	2.270	20	30		FEEDMO
Cn1cc([C@@H]2[C@@H](CNC(=O)NCc3ccc(C#N)cc3)CCC[N@H+]2C)cn1	ZINC000369427843	556598476	/nfs/dbraw/zinc/59/84/76/556598476.db2.gz	RXBOZHAZKFYVOH-MJGOQNOKSA-N	1	1	366.469	2.174	20	30		FEEDMO
C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cnn(C)c1	ZINC000369792329	556696489	/nfs/dbraw/zinc/69/64/89/556696489.db2.gz	GPFPETKDWXJHTO-INIZCTEOSA-N	1	1	366.469	2.270	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1	ZINC000370295249	556832527	/nfs/dbraw/zinc/83/25/27/556832527.db2.gz	VMRQRHUPBDOLJG-FMKPAKJESA-N	1	1	370.544	2.057	20	30		FEEDMO
Cc1cc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)nn1-c1cccc(C#N)c1	ZINC000370696062	556942531	/nfs/dbraw/zinc/94/25/31/556942531.db2.gz	FGRCEZVQLCYDSN-IRXDYDNUSA-N	1	1	364.453	2.801	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C(=O)c2ccc(OC)cc2)CC1	ZINC000370695089	556942610	/nfs/dbraw/zinc/94/26/10/556942610.db2.gz	WYCFMGVMWNQUQI-IBGZPJMESA-N	1	1	354.450	2.214	20	30		FEEDMO
Cc1nnc([C@H]2CC23CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC3)o1	ZINC000370827843	556981232	/nfs/dbraw/zinc/98/12/32/556981232.db2.gz	XYCXHIQJXJVWKB-OAHLLOKOSA-N	1	1	357.458	2.290	20	30		FEEDMO
C=CCOc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000370840785	556986697	/nfs/dbraw/zinc/98/66/97/556986697.db2.gz	XBVGNQMVQKODHL-GOSISDBHSA-N	1	1	357.498	2.492	20	30		FEEDMO
C=CCOc1ccccc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000370840785	556986700	/nfs/dbraw/zinc/98/67/00/556986700.db2.gz	XBVGNQMVQKODHL-GOSISDBHSA-N	1	1	357.498	2.492	20	30		FEEDMO
O=C(NCC#Cc1cccc(F)c1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1	ZINC000517248094	562082498	/nfs/dbraw/zinc/08/24/98/562082498.db2.gz	MDLLHJLAHYZVTH-OAQYLSRUSA-N	1	1	366.436	2.491	20	30		FEEDMO
N#CCCCOc1cccc(CN2CC[NH+](C3(C(N)=O)CCCC3)CC2)c1	ZINC000371377865	557166165	/nfs/dbraw/zinc/16/61/65/557166165.db2.gz	GBDJXKSVANULKL-UHFFFAOYSA-N	1	1	370.497	2.285	20	30		FEEDMO
CC1(C)C[N@H+](C2(CNC(=O)c3ccc(C#N)cn3)CCCCC2)CCO1	ZINC000517483069	562091099	/nfs/dbraw/zinc/09/10/99/562091099.db2.gz	VOGKBOAYKRJLPT-UHFFFAOYSA-N	1	1	356.470	2.497	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCN(C)c1ccccc1	ZINC000517735291	562096773	/nfs/dbraw/zinc/09/67/73/562096773.db2.gz	HRURPDHVSZTHFU-KRWDZBQOSA-N	1	1	350.470	2.385	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)N(CC)CC	ZINC000519273451	562128320	/nfs/dbraw/zinc/12/83/20/562128320.db2.gz	AKRQNCZNIRMPEI-MOPGFXCFSA-N	1	1	360.498	2.488	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O	ZINC000372353810	557448612	/nfs/dbraw/zinc/44/86/12/557448612.db2.gz	AMFMPQXLFMHPEX-SPLOXXLWSA-N	1	1	360.417	2.481	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O	ZINC000372353810	557448613	/nfs/dbraw/zinc/44/86/13/557448613.db2.gz	AMFMPQXLFMHPEX-SPLOXXLWSA-N	1	1	360.417	2.481	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@]2(CCOC2)C1	ZINC000519522214	562133194	/nfs/dbraw/zinc/13/31/94/562133194.db2.gz	HZQCROUIJGBMAX-HXUWFJFHSA-N	1	1	365.437	2.185	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@]2(CCOC2)C1	ZINC000519522214	562133195	/nfs/dbraw/zinc/13/31/95/562133195.db2.gz	HZQCROUIJGBMAX-HXUWFJFHSA-N	1	1	365.437	2.185	20	30		FEEDMO
C=CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372600364	557517375	/nfs/dbraw/zinc/51/73/75/557517375.db2.gz	MQOGXAXBIYRSQE-QGZVFWFLSA-N	1	1	369.425	2.080	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NCc1ccc(C#N)cc1	ZINC000372653761	557530291	/nfs/dbraw/zinc/53/02/91/557530291.db2.gz	FTTFAKWSMRSVNF-ATZDWAIDSA-N	1	1	356.470	2.247	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000519620421	562137318	/nfs/dbraw/zinc/13/73/18/562137318.db2.gz	JJOVNNMSAAGIAT-MRXNPFEDSA-N	1	1	358.467	2.240	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000372753535	557554889	/nfs/dbraw/zinc/55/48/89/557554889.db2.gz	UDRDLNNQCVLNCV-SJORKVTESA-N	1	1	371.485	2.156	20	30		FEEDMO
COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1	ZINC000373175801	557644267	/nfs/dbraw/zinc/64/42/67/557644267.db2.gz	AAAFFDLYCHVZQD-WMZOPIPTSA-N	1	1	371.437	2.059	20	30		FEEDMO
COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1	ZINC000373175801	557644268	/nfs/dbraw/zinc/64/42/68/557644268.db2.gz	AAAFFDLYCHVZQD-WMZOPIPTSA-N	1	1	371.437	2.059	20	30		FEEDMO
CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373400986	557687331	/nfs/dbraw/zinc/68/73/31/557687331.db2.gz	UGJPMEZHTGABPV-UHFFFAOYSA-N	1	1	356.386	2.294	20	30		FEEDMO
CCc1cccc(C)c1NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373414496	557689300	/nfs/dbraw/zinc/68/93/00/557689300.db2.gz	WLSGXAWZJYRPMJ-UHFFFAOYSA-N	1	1	352.442	2.296	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ncc(-c2ccc(C#N)cc2)o1	ZINC000373438552	557693600	/nfs/dbraw/zinc/69/36/00/557693600.db2.gz	HABWOHIMCYFZKC-OAHLLOKOSA-N	1	1	354.454	2.490	20	30		FEEDMO
C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)n1ccnc1	ZINC000521051542	562168446	/nfs/dbraw/zinc/16/84/46/562168446.db2.gz	DVFUKWBEKWWZAQ-KRWDZBQOSA-N	1	1	351.454	2.440	20	30		FEEDMO
CC(C)(C#N)c1ccccc1C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1	ZINC000374844029	557939546	/nfs/dbraw/zinc/93/95/46/557939546.db2.gz	SSHBVVZKZQYEST-UHFFFAOYSA-N	1	1	361.511	2.488	20	30		FEEDMO
CC(C)(C#N)c1ccccc1C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1	ZINC000374844029	557939547	/nfs/dbraw/zinc/93/95/47/557939547.db2.gz	SSHBVVZKZQYEST-UHFFFAOYSA-N	1	1	361.511	2.488	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](CCCO[C@@H]2CCCCO2)C[C@]12C(=O)Nc1ccccc12	ZINC000374861790	557942647	/nfs/dbraw/zinc/94/26/47/557942647.db2.gz	IODJMUXNJYCWMA-ZTNFWEORSA-N	1	1	355.438	2.265	20	30		FEEDMO
N#C[C@@H]1C[N@H+](CCCO[C@@H]2CCCCO2)C[C@]12C(=O)Nc1ccccc12	ZINC000374861790	557942649	/nfs/dbraw/zinc/94/26/49/557942649.db2.gz	IODJMUXNJYCWMA-ZTNFWEORSA-N	1	1	355.438	2.265	20	30		FEEDMO
COc1cc(C#N)ccc1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000375245812	557997788	/nfs/dbraw/zinc/99/77/88/557997788.db2.gz	PHYUBFGCHVPFCJ-UHFFFAOYSA-N	1	1	356.514	2.416	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NCc2c[nH+]c3n2CCCC3)c1	ZINC000375397989	558020880	/nfs/dbraw/zinc/02/08/80/558020880.db2.gz	RQWPVPBKZVJLDC-UHFFFAOYSA-N	1	1	354.410	2.039	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H]1C(=O)N1CCOCC1	ZINC000375529736	558044074	/nfs/dbraw/zinc/04/40/74/558044074.db2.gz	KFWURAXMFBWIGW-YLJYHZDGSA-N	1	1	371.481	2.296	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C[N@H+]1C1CC1	ZINC000376220072	558143461	/nfs/dbraw/zinc/14/34/61/558143461.db2.gz	HTHWBDYVSYYHTN-BMFZPTHFSA-N	1	1	356.445	2.265	20	30		FEEDMO
Cc1cc(=NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)[nH]n1CCC#N	ZINC000376402931	558168938	/nfs/dbraw/zinc/16/89/38/558168938.db2.gz	WQSAFAFQHRITOR-FUHWJXTLSA-N	1	1	370.432	2.811	20	30		FEEDMO
Cc1cc(=NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)[nH]n1CCC#N	ZINC000376402931	558168940	/nfs/dbraw/zinc/16/89/40/558168940.db2.gz	WQSAFAFQHRITOR-FUHWJXTLSA-N	1	1	370.432	2.811	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)N2CCC(C)(C#N)CC2)[C@@H](c2ccccc2)C1	ZINC000376502452	558181891	/nfs/dbraw/zinc/18/18/91/558181891.db2.gz	WGCSNNYNJHBMJV-LJQANCHMSA-N	1	1	369.513	2.310	20	30		FEEDMO
C[N@@H+](CCNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1)C1CC1	ZINC000376637743	558201401	/nfs/dbraw/zinc/20/14/01/558201401.db2.gz	CJJURNWMWAVGBT-UHFFFAOYSA-N	1	1	362.424	2.263	20	30		FEEDMO
N#CC1(C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)CCCC1	ZINC000522268217	562195537	/nfs/dbraw/zinc/19/55/37/562195537.db2.gz	TUZOFURMKMJTTH-UHFFFAOYSA-N	1	1	367.453	2.460	20	30		FEEDMO
N#Cc1ccc(NCCCN2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1	ZINC000522133804	562192221	/nfs/dbraw/zinc/19/22/21/562192221.db2.gz	QIKARYLSSYIVKW-UHFFFAOYSA-N	1	1	366.425	2.486	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC1(C#N)CCCCC1	ZINC000377562404	558364814	/nfs/dbraw/zinc/36/48/14/558364814.db2.gz	DWHGZDYAMRCSCZ-RYQLBKOJSA-N	1	1	360.502	2.193	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	ZINC000523138339	562208809	/nfs/dbraw/zinc/20/88/09/562208809.db2.gz	OKNDQTOFVIMBQG-FQEVSTJZSA-N	1	1	363.465	2.277	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1	ZINC000378194389	558500370	/nfs/dbraw/zinc/50/03/70/558500370.db2.gz	YDWJAGCBBUNCBT-UHFFFAOYSA-N	1	1	374.481	2.314	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCc2cc(OC)c(OC)c(OC)c2CC1	ZINC000378194389	558500371	/nfs/dbraw/zinc/50/03/71/558500371.db2.gz	YDWJAGCBBUNCBT-UHFFFAOYSA-N	1	1	374.481	2.314	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N	ZINC000389949561	558610098	/nfs/dbraw/zinc/61/00/98/558610098.db2.gz	RSAUWFRXNQWRSH-KUHUBIRLSA-N	1	1	370.478	2.061	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000389879666	558610187	/nfs/dbraw/zinc/61/01/87/558610187.db2.gz	NMZWXXXQYGBVLV-JXFKEZNVSA-N	1	1	369.490	2.498	20	30		FEEDMO
CC[N@@H+](CCC1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1)CC(C)C	ZINC000409893223	558725410	/nfs/dbraw/zinc/72/54/10/558725410.db2.gz	XRSAVAQVUPZBPW-INIZCTEOSA-N	1	1	360.506	2.317	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C	ZINC000410161452	558743434	/nfs/dbraw/zinc/74/34/34/558743434.db2.gz	KTNLXNGIHPVYSQ-CMPLNLGQSA-N	1	1	361.389	2.338	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](CC)C[C@@H]3C)cc2C1=O	ZINC000525030878	562239522	/nfs/dbraw/zinc/23/95/22/562239522.db2.gz	DKHHIPRNRTUPLR-KBXCAEBGSA-N	1	1	369.465	2.271	20	30		FEEDMO
COC(=O)CC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1	ZINC000411432486	558893888	/nfs/dbraw/zinc/89/38/88/558893888.db2.gz	WJIPOBCABYVEJJ-HNNXBMFYSA-N	1	1	366.259	2.194	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCc4nn[nH]c4C3)sc2C1	ZINC000411621741	558930839	/nfs/dbraw/zinc/93/08/39/558930839.db2.gz	RHRSUGZBGPKZPJ-LLVKDONJSA-N	1	1	370.482	2.250	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(C(=O)N(C)C)CC1	ZINC000411915826	558987294	/nfs/dbraw/zinc/98/72/94/558987294.db2.gz	TWGOGKPWTTXEPE-ZDUSSCGKSA-N	1	1	360.483	2.230	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000411961507	558995741	/nfs/dbraw/zinc/99/57/41/558995741.db2.gz	FIVSDHFKYJAWOO-OAQYLSRUSA-N	1	1	362.433	2.016	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1	ZINC000411966536	558996642	/nfs/dbraw/zinc/99/66/42/558996642.db2.gz	LUQDMDVNIJIYNY-NRFANRHFSA-N	1	1	362.433	2.016	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1	ZINC000411984560	558999427	/nfs/dbraw/zinc/99/94/27/558999427.db2.gz	RGUXTFXDWCWSAM-OLMNPRSZSA-N	1	1	362.433	2.086	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](CO)[C@@H]2C)cc1	ZINC000412095556	559012946	/nfs/dbraw/zinc/01/29/46/559012946.db2.gz	XXDTVEQRNMUUFQ-DLBZAZTESA-N	1	1	359.470	2.425	20	30		FEEDMO
C[C@H]1[C@H](CO)CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000412100079	559013537	/nfs/dbraw/zinc/01/35/37/559013537.db2.gz	XEOJJCXTJBIWEJ-HOCLYGCPSA-N	1	1	368.399	2.266	20	30		FEEDMO
N#Cc1cnc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(F)c1	ZINC000413286736	559095631	/nfs/dbraw/zinc/09/56/31/559095631.db2.gz	ZQTFAZQMCUGMIA-IBGZPJMESA-N	1	1	365.456	2.489	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1nc(C)cc(C#N)n1	ZINC000413535982	559114872	/nfs/dbraw/zinc/11/48/72/559114872.db2.gz	QNXZRKKSUGCSGN-IEBWSBKVSA-N	1	1	351.454	2.606	20	30		FEEDMO
C[N@@H+]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H](c2ccccc2)C1	ZINC000414468467	559166780	/nfs/dbraw/zinc/16/67/80/559166780.db2.gz	YPWNBIBLRPKHTE-AEFFLSMTSA-N	1	1	359.426	2.073	20	30		FEEDMO
C[N@H+]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H](c2ccccc2)C1	ZINC000414468467	559166782	/nfs/dbraw/zinc/16/67/82/559166782.db2.gz	YPWNBIBLRPKHTE-AEFFLSMTSA-N	1	1	359.426	2.073	20	30		FEEDMO
Cc1cn(-c2c(F)cccc2F)nc1C(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000527041494	562274245	/nfs/dbraw/zinc/27/42/45/562274245.db2.gz	KMUXKGGCTZLDLM-UHFFFAOYSA-N	1	1	359.380	2.177	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000527048444	562274676	/nfs/dbraw/zinc/27/46/76/562274676.db2.gz	SRFDRPDFHKGIBF-IRXDYDNUSA-N	1	1	368.481	2.079	20	30		FEEDMO
C[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)CN1CC[NH+](C)CC1	ZINC000416688323	559329791	/nfs/dbraw/zinc/32/97/91/559329791.db2.gz	PABOJIAUIACLEO-UZLBHIALSA-N	1	1	369.513	2.118	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(C#N)cc1Br	ZINC000419346358	559438850	/nfs/dbraw/zinc/43/88/50/559438850.db2.gz	VBPUCYGUXWZXPK-STQMWFEESA-N	1	1	352.276	2.208	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1ccc(Br)cc1C#N	ZINC000419347705	559438880	/nfs/dbraw/zinc/43/88/80/559438880.db2.gz	XGSJUWFTDKKELB-CHWSQXEVSA-N	1	1	352.276	2.208	20	30		FEEDMO
N#CC1(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCC1	ZINC000419482053	559444633	/nfs/dbraw/zinc/44/46/33/559444633.db2.gz	SNEVIOMFQOIMIR-GOSISDBHSA-N	1	1	356.470	2.136	20	30		FEEDMO
C=CCC[C@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000419955429	559466312	/nfs/dbraw/zinc/46/63/12/559466312.db2.gz	RJPFXCIITXWBKH-ZWKOTPCHSA-N	1	1	357.454	2.164	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@H+]1C	ZINC000420993749	559518255	/nfs/dbraw/zinc/51/82/55/559518255.db2.gz	BAJGJCJKGLHVDT-SJORKVTESA-N	1	1	358.486	2.356	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C#N)cn1CC	ZINC000421164269	559527946	/nfs/dbraw/zinc/52/79/46/559527946.db2.gz	KHHDXWCRFXLVTB-LSDHHAIUSA-N	1	1	373.457	2.305	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000421298116	559536915	/nfs/dbraw/zinc/53/69/15/559536915.db2.gz	MLMQXJHNIBLMLG-CYBMUJFWSA-N	1	1	368.359	2.068	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000421315064	559538751	/nfs/dbraw/zinc/53/87/51/559538751.db2.gz	ZROPCGHUERBHFN-MRXNPFEDSA-N	1	1	372.469	2.227	20	30		FEEDMO
C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCc1ccc(C#N)c(F)c1	ZINC000421341280	559539701	/nfs/dbraw/zinc/53/97/01/559539701.db2.gz	LBYRPGKXNGLPNF-FQEVSTJZSA-N	1	1	368.456	2.076	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1	ZINC000422533227	559593314	/nfs/dbraw/zinc/59/33/14/559593314.db2.gz	WSZFKVNGADLLQB-IBGZPJMESA-N	1	1	357.498	2.233	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1	ZINC000422543888	559594131	/nfs/dbraw/zinc/59/41/31/559594131.db2.gz	PSAKUQYWARZEPR-RTBURBONSA-N	1	1	357.498	2.090	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C	ZINC000422547669	559594459	/nfs/dbraw/zinc/59/44/59/559594459.db2.gz	XFYJPTMHYIIFHJ-RTBURBONSA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C	ZINC000422547669	559594460	/nfs/dbraw/zinc/59/44/60/559594460.db2.gz	XFYJPTMHYIIFHJ-RTBURBONSA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CCn1cc(CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)nn1	ZINC000425423779	559701679	/nfs/dbraw/zinc/70/16/79/559701679.db2.gz	OQECZIUCZSKHCO-UHFFFAOYSA-N	1	1	356.474	2.304	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)c(OC)c1	ZINC000425497088	559705529	/nfs/dbraw/zinc/70/55/29/559705529.db2.gz	BYFLOAASGLAQAZ-MSOLQXFVSA-N	1	1	372.469	2.092	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000425541325	559708763	/nfs/dbraw/zinc/70/87/63/559708763.db2.gz	WPCFLWNXUCLTQZ-RHSMWYFYSA-N	1	1	363.417	2.208	20	30		FEEDMO
C=CCn1cc(CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000425566657	559709987	/nfs/dbraw/zinc/70/99/87/559709987.db2.gz	QPNDXHUDSHQFBU-SFHVURJKSA-N	1	1	368.485	2.128	20	30		FEEDMO
C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccccc3SCCC#N)[C@@H]2C1	ZINC000425817386	559721142	/nfs/dbraw/zinc/72/11/42/559721142.db2.gz	HHRIWIWIKGUTOB-GOEBONIOSA-N	1	1	372.494	2.183	20	30		FEEDMO
CCN1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)C1=O	ZINC000426153826	559730665	/nfs/dbraw/zinc/73/06/65/559730665.db2.gz	PAZVTYLLQZWHTF-UHFFFAOYSA-N	1	1	362.861	2.483	20	30		FEEDMO
CCN1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)C1=O	ZINC000426153826	559730666	/nfs/dbraw/zinc/73/06/66/559730666.db2.gz	PAZVTYLLQZWHTF-UHFFFAOYSA-N	1	1	362.861	2.483	20	30		FEEDMO
Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1	ZINC000428771057	559782834	/nfs/dbraw/zinc/78/28/34/559782834.db2.gz	HGDJZWAMWBYFQJ-RTBURBONSA-N	1	1	367.449	2.463	20	30		FEEDMO
C(#CC[N@H+]1CCOC[C@H](C2CCC2)C1)CN1CCOC[C@H](C2CCC2)C1	ZINC000429028236	559789140	/nfs/dbraw/zinc/78/91/40/559789140.db2.gz	MAUFHYXMWGEYMN-FGZHOGPDSA-N	1	1	360.542	2.487	20	30		FEEDMO
CN(C)c1cc(C#N)cc(C(=O)NCC[N@@H+]2CCc3sccc3C2)c1	ZINC000432406288	559858227	/nfs/dbraw/zinc/85/82/27/559858227.db2.gz	HGLQIQFPXSWQQZ-UHFFFAOYSA-N	1	1	354.479	2.474	20	30		FEEDMO
CN(C)c1cc(C#N)cc(C(=O)NCC[N@H+]2CCc3sccc3C2)c1	ZINC000432406288	559858228	/nfs/dbraw/zinc/85/82/28/559858228.db2.gz	HGLQIQFPXSWQQZ-UHFFFAOYSA-N	1	1	354.479	2.474	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)[N@@H+](C)C1CC1	ZINC000433091379	559871477	/nfs/dbraw/zinc/87/14/77/559871477.db2.gz	KXMCHKSRTLOSEH-SNVBAGLBSA-N	1	1	372.288	2.082	20	30		FEEDMO
COCC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCCSC1	ZINC000433193387	559873272	/nfs/dbraw/zinc/87/32/72/559873272.db2.gz	QCOYCDGUIQMXPC-DLBZAZTESA-N	1	1	350.484	2.142	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC[N@H+]1C	ZINC000433869691	559889166	/nfs/dbraw/zinc/88/91/66/559889166.db2.gz	NCQMVPNHEUDZBO-PWSUYJOCSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000434593274	559903162	/nfs/dbraw/zinc/90/31/62/559903162.db2.gz	AMVLYYRTKHQQTQ-GASCZTMLSA-N	1	1	373.501	2.432	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C	ZINC000439361557	559992756	/nfs/dbraw/zinc/99/27/56/559992756.db2.gz	RVWONKDABQQCSY-GJZGRUSLSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C	ZINC000439361559	559992775	/nfs/dbraw/zinc/99/27/75/559992775.db2.gz	RVWONKDABQQCSY-LSDHHAIUSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C	ZINC000439361556	559992901	/nfs/dbraw/zinc/99/29/01/559992901.db2.gz	RVWONKDABQQCSY-CABCVRRESA-N	1	1	374.510	2.429	20	30		FEEDMO
COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3Cl)C2)nn1	ZINC000439461210	559994411	/nfs/dbraw/zinc/99/44/11/559994411.db2.gz	ZUFYYOIGZVUATM-CQSZACIVSA-N	1	1	359.817	2.427	20	30		FEEDMO
COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)nn1	ZINC000439461210	559994412	/nfs/dbraw/zinc/99/44/12/559994412.db2.gz	ZUFYYOIGZVUATM-CQSZACIVSA-N	1	1	359.817	2.427	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[N@H+]1CCOC	ZINC000442725521	560055278	/nfs/dbraw/zinc/05/52/78/560055278.db2.gz	YYVYABZCHQYUEZ-DAWZGUTISA-N	1	1	350.507	2.459	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@H](S(N)(=O)=O)C3)c2)c1	ZINC000443864231	560094888	/nfs/dbraw/zinc/09/48/88/560094888.db2.gz	UBVIRHUFZUYHTP-IBGZPJMESA-N	1	1	371.462	2.000	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@H](S(N)(=O)=O)C3)c2)c1	ZINC000443864231	560094890	/nfs/dbraw/zinc/09/48/90/560094890.db2.gz	UBVIRHUFZUYHTP-IBGZPJMESA-N	1	1	371.462	2.000	20	30		FEEDMO
C[C@@H](O)C[NH+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1	ZINC000444379560	560112661	/nfs/dbraw/zinc/11/26/61/560112661.db2.gz	FWEAVJFZKFLZDA-MRXNPFEDSA-N	1	1	354.454	2.084	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000447701378	560167558	/nfs/dbraw/zinc/16/75/58/560167558.db2.gz	QXJHPBXPRDCVTP-AWEZNQCLSA-N	1	1	359.430	2.267	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000448601768	560192189	/nfs/dbraw/zinc/19/21/89/560192189.db2.gz	XESFSEONGHBVGX-HOCLYGCPSA-N	1	1	374.872	2.165	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000450347710	560259389	/nfs/dbraw/zinc/25/93/89/560259389.db2.gz	IXKNQKAUWQTRQD-HNNXBMFYSA-N	1	1	366.425	2.484	20	30		FEEDMO
CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc1	ZINC000451056564	560284949	/nfs/dbraw/zinc/28/49/49/560284949.db2.gz	OJHUVFLOTFIYFC-KRWDZBQOSA-N	1	1	352.394	2.178	20	30		FEEDMO
CCOC(=O)c1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc1	ZINC000451056564	560284950	/nfs/dbraw/zinc/28/49/50/560284950.db2.gz	OJHUVFLOTFIYFC-KRWDZBQOSA-N	1	1	352.394	2.178	20	30		FEEDMO
CC(C)[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)C1	ZINC000451275900	560297582	/nfs/dbraw/zinc/29/75/82/560297582.db2.gz	YQWNRADHMRLOLE-SWLSCSKDSA-N	1	1	355.891	2.413	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1	ZINC000451301508	560299064	/nfs/dbraw/zinc/29/90/64/560299064.db2.gz	NOMHEESBUBHNOB-UAFMIMERSA-N	1	1	361.482	2.017	20	30		FEEDMO
CC1=CC[N@H+](CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)CC1	ZINC000451396113	560304225	/nfs/dbraw/zinc/30/42/25/560304225.db2.gz	FTONCDSCZUKSGJ-UHFFFAOYSA-N	1	1	353.875	2.336	20	30		FEEDMO
CC1=CC[N@@H+](CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)CC1	ZINC000451396113	560304226	/nfs/dbraw/zinc/30/42/26/560304226.db2.gz	FTONCDSCZUKSGJ-UHFFFAOYSA-N	1	1	353.875	2.336	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3cccc(F)c3C#N)C2)CC1	ZINC000451529954	560312365	/nfs/dbraw/zinc/31/23/65/560312365.db2.gz	OGEKYJMVIHMPKL-GOSISDBHSA-N	1	1	372.488	2.464	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3cc(F)ccc3C#N)C2)CC1	ZINC000451534175	560312958	/nfs/dbraw/zinc/31/29/58/560312958.db2.gz	MVZGNLYKVAKLSV-GOSISDBHSA-N	1	1	372.488	2.464	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)COc2cccc(Br)c2C#N)[C@H](C)C1	ZINC000451675419	560321394	/nfs/dbraw/zinc/32/13/94/560321394.db2.gz	AAYWEMJBFCUNLR-GFCCVEGCSA-N	1	1	366.259	2.252	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](CO)CC(C)(C)C	ZINC000451792917	560328676	/nfs/dbraw/zinc/32/86/76/560328676.db2.gz	UQVSIKFSUOATPR-QGZVFWFLSA-N	1	1	369.469	2.411	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1	ZINC000453592538	560390138	/nfs/dbraw/zinc/39/01/38/560390138.db2.gz	KDVVFYSMYNXIQV-MRXNPFEDSA-N	1	1	356.451	2.286	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1	ZINC000453599161	560390461	/nfs/dbraw/zinc/39/04/61/560390461.db2.gz	BXFPXHDUTHNRBQ-INIZCTEOSA-N	1	1	372.469	2.275	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453600241	560390625	/nfs/dbraw/zinc/39/06/25/560390625.db2.gz	OGOIKPKDFVZWRX-IYBDPMFKSA-N	1	1	356.470	2.175	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1	ZINC000453688835	560396867	/nfs/dbraw/zinc/39/68/67/560396867.db2.gz	HNUQASLQIFZWGD-RTBURBONSA-N	1	1	362.433	2.367	20	30		FEEDMO
C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453713517	560398991	/nfs/dbraw/zinc/39/89/91/560398991.db2.gz	INVAYAPUVQZKEK-LRDDRELGSA-N	1	1	362.861	2.143	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000453770257	560403066	/nfs/dbraw/zinc/40/30/66/560403066.db2.gz	SRHDAQCJRDSTAA-NWDGAFQWSA-N	1	1	362.499	2.407	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000453770257	560403067	/nfs/dbraw/zinc/40/30/67/560403067.db2.gz	SRHDAQCJRDSTAA-NWDGAFQWSA-N	1	1	362.499	2.407	20	30		FEEDMO
CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000453992291	560420262	/nfs/dbraw/zinc/42/02/62/560420262.db2.gz	GXRVBTUXWCOBTC-CYBMUJFWSA-N	1	1	362.861	2.287	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1	ZINC000454116812	560430637	/nfs/dbraw/zinc/43/06/37/560430637.db2.gz	XUAPVABQJOSESC-INIZCTEOSA-N	1	1	372.469	2.225	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H](C)[N@H+]1CCO	ZINC000454707590	560455138	/nfs/dbraw/zinc/45/51/38/560455138.db2.gz	FFANYQBNSHMLSX-TXEJJXNPSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H](C)[N@@H+]1CCO	ZINC000454707590	560455139	/nfs/dbraw/zinc/45/51/39/560455139.db2.gz	FFANYQBNSHMLSX-TXEJJXNPSA-N	1	1	368.384	2.078	20	30		FEEDMO
C=C(CC)CNC(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000455514945	560485270	/nfs/dbraw/zinc/48/52/70/560485270.db2.gz	ASRWECTUOLMKBW-IAGOWNOFSA-N	1	1	353.507	2.252	20	30		FEEDMO
CC[C@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O	ZINC000455777470	560494544	/nfs/dbraw/zinc/49/45/44/560494544.db2.gz	CVLRYUJROBMZRP-LPHOPBHVSA-N	1	1	357.498	2.431	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3CC[N@H+](CC)C[C@@H]3CC)cc2C1=O	ZINC000456346725	560516395	/nfs/dbraw/zinc/51/63/95/560516395.db2.gz	JDMNGKHDDDQMRT-HNNXBMFYSA-N	1	1	355.438	2.025	20	30		FEEDMO
CN(CC(C)(C)C#N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000458704393	560642039	/nfs/dbraw/zinc/64/20/39/560642039.db2.gz	AKXFHWOPSJMPDG-GOSISDBHSA-N	1	1	358.486	2.469	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1	ZINC000459038708	560663068	/nfs/dbraw/zinc/66/30/68/560663068.db2.gz	WKTHGXJDNXGDMP-WCIQWLHISA-N	1	1	355.482	2.493	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1	ZINC000459274089	560677079	/nfs/dbraw/zinc/67/70/79/560677079.db2.gz	ZHGXCKOSVUPROO-SFHVURJKSA-N	1	1	358.486	2.448	20	30		FEEDMO
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N	ZINC000459455451	560687288	/nfs/dbraw/zinc/68/72/88/560687288.db2.gz	FJRHXPKGDWCXMJ-QUCCMNQESA-N	1	1	365.481	2.446	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000459870865	560715264	/nfs/dbraw/zinc/71/52/64/560715264.db2.gz	RKIZBFQPELBEFQ-WBVHZDCISA-N	1	1	361.511	2.205	20	30		FEEDMO
C=C(C)Cn1c(CC2CC2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1	ZINC000460573211	560746448	/nfs/dbraw/zinc/74/64/48/560746448.db2.gz	KRUPHCBVWYVHHT-SFHVURJKSA-N	1	1	358.534	2.023	20	30		FEEDMO
CCCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]3C#N)CC2)cn1	ZINC000461936911	560788696	/nfs/dbraw/zinc/78/86/96/560788696.db2.gz	ORVLTWJMETVJTR-ZWKOTPCHSA-N	1	1	358.490	2.203	20	30		FEEDMO
CCCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]3C#N)CC2)cn1	ZINC000461936911	560788697	/nfs/dbraw/zinc/78/86/97/560788697.db2.gz	ORVLTWJMETVJTR-ZWKOTPCHSA-N	1	1	358.490	2.203	20	30		FEEDMO
C[C@H](CNC(=O)N[C@H]1CCC[C@@H]1C#N)[NH+]1CCN(c2ccccc2)CC1	ZINC000461963619	560789935	/nfs/dbraw/zinc/78/99/35/560789935.db2.gz	ZPDNDNKJQAPWFG-LMMKCTJWSA-N	1	1	355.486	2.189	20	30		FEEDMO
COc1cc(C[N@H+]2C[C@H](O)C[C@H]2CO)ccc1OCc1cccc(C#N)c1	ZINC000462339190	560806665	/nfs/dbraw/zinc/80/66/65/560806665.db2.gz	XXYOPTPNOQGARX-RBUKOAKNSA-N	1	1	368.433	2.073	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)NCCc2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000466809198	560896340	/nfs/dbraw/zinc/89/63/40/560896340.db2.gz	MDRQWTRINHSERP-LJQANCHMSA-N	1	1	358.486	2.243	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1)c1cccc(Cl)c1	ZINC000466931743	560899795	/nfs/dbraw/zinc/89/97/95/560899795.db2.gz	ZFJYTKFTNBKANE-LJQANCHMSA-N	1	1	374.872	2.189	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)c1cccc(Cl)c1	ZINC000466931743	560899794	/nfs/dbraw/zinc/89/97/94/560899794.db2.gz	ZFJYTKFTNBKANE-LJQANCHMSA-N	1	1	374.872	2.189	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1	ZINC000467182131	560905765	/nfs/dbraw/zinc/90/57/65/560905765.db2.gz	MHZFEJRDBUOKHO-UHFFFAOYSA-N	1	1	354.248	2.094	20	30		FEEDMO
COC(=O)[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H]1C	ZINC000469855082	560966576	/nfs/dbraw/zinc/96/65/76/560966576.db2.gz	UFMRUCVCHWWPRP-IRXDYDNUSA-N	1	1	357.454	2.434	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H]1C	ZINC000469855082	560966577	/nfs/dbraw/zinc/96/65/77/560966577.db2.gz	UFMRUCVCHWWPRP-IRXDYDNUSA-N	1	1	357.454	2.434	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[C@@H]1C	ZINC000469998122	560971311	/nfs/dbraw/zinc/97/13/11/560971311.db2.gz	BSDUPSJCILYUHS-CKEIUWERSA-N	1	1	361.417	2.344	20	30		FEEDMO
C=C(C)C[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccccc1	ZINC000470906014	560993370	/nfs/dbraw/zinc/99/33/70/560993370.db2.gz	KGMBZPOJMQRCQZ-UHFFFAOYSA-N	1	1	373.478	2.351	20	30		FEEDMO
C=C(C)C[N@@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccccc1	ZINC000470906014	560993371	/nfs/dbraw/zinc/99/33/71/560993371.db2.gz	KGMBZPOJMQRCQZ-UHFFFAOYSA-N	1	1	373.478	2.351	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](OCc2ccccc2F)C1	ZINC000470916811	560993898	/nfs/dbraw/zinc/99/38/98/560993898.db2.gz	KIGGCWZCSLOBJL-HOCLYGCPSA-N	1	1	363.433	2.207	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](OCc2ccccc2F)C1	ZINC000470916811	560993899	/nfs/dbraw/zinc/99/38/99/560993899.db2.gz	KIGGCWZCSLOBJL-HOCLYGCPSA-N	1	1	363.433	2.207	20	30		FEEDMO
C=C(C)C[N@@H+](CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O)Cc1ccccc1	ZINC000470924942	560994407	/nfs/dbraw/zinc/99/44/07/560994407.db2.gz	BLLCUPXTAASHOT-UHFFFAOYSA-N	1	1	370.453	2.202	20	30		FEEDMO
C=C(C)C[N@H+](CC(=O)c1c(N)n(CCC)c(=O)[nH]c1=O)Cc1ccccc1	ZINC000470924942	560994408	/nfs/dbraw/zinc/99/44/08/560994408.db2.gz	BLLCUPXTAASHOT-UHFFFAOYSA-N	1	1	370.453	2.202	20	30		FEEDMO
CCc1cccc(OCC[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1	ZINC000472171737	561020176	/nfs/dbraw/zinc/02/01/76/561020176.db2.gz	LSTXUBNMUFBNME-UHFFFAOYSA-N	1	1	353.470	2.364	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1	ZINC000472253312	561021910	/nfs/dbraw/zinc/02/19/10/561021910.db2.gz	ATPBWARJPMOWHO-WOJBJXKFSA-N	1	1	350.466	2.431	20	30		FEEDMO
CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@@H](CC#N)c2ccccc2)CC1	ZINC000474781019	561082643	/nfs/dbraw/zinc/08/26/43/561082643.db2.gz	UQADYRQSNWMRFC-GOSISDBHSA-N	1	1	370.497	2.181	20	30		FEEDMO
Cn1ncc(C(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)c1C#N	ZINC000474959542	561086312	/nfs/dbraw/zinc/08/63/12/561086312.db2.gz	HJNCKARHPDHPTC-IBGZPJMESA-N	1	1	365.481	2.495	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)cc1	ZINC000475679215	561101996	/nfs/dbraw/zinc/10/19/96/561101996.db2.gz	LEVLMZFUAWOFPR-IFMALSPDSA-N	1	1	366.461	2.368	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)[C@H](C)C1	ZINC000476850717	561130137	/nfs/dbraw/zinc/13/01/37/561130137.db2.gz	KBTQVJBMMZHIRC-IAGOWNOFSA-N	1	1	368.481	2.472	20	30		FEEDMO
CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000528405166	562327236	/nfs/dbraw/zinc/32/72/36/562327236.db2.gz	QIRMPOHPOGILOK-YJBOKZPZSA-N	1	1	369.444	2.256	20	30		FEEDMO
CCC(C#N)(CC)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000528478154	562331313	/nfs/dbraw/zinc/33/13/13/562331313.db2.gz	PJCWRGCMPBUCTC-SFHVURJKSA-N	1	1	370.497	2.330	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1	ZINC000528480959	562331582	/nfs/dbraw/zinc/33/15/82/562331582.db2.gz	NBFOMHMTORLUHD-SJORKVTESA-N	1	1	371.412	2.375	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCOC[C@H](C2CCC2)C1	ZINC000528510634	562333249	/nfs/dbraw/zinc/33/32/49/562333249.db2.gz	BSYIRTPKDPJDOG-QGZVFWFLSA-N	1	1	352.434	2.035	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@](CO)(c2cccc(F)c2)C1	ZINC000528546030	562335325	/nfs/dbraw/zinc/33/53/25/562335325.db2.gz	REMJBQNHCBMTGY-FPOVZHCZSA-N	1	1	370.424	2.073	20	30		FEEDMO
COCc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1C#N	ZINC000529213336	562365095	/nfs/dbraw/zinc/36/50/95/562365095.db2.gz	QBPFEHKBRQTQBE-AWEZNQCLSA-N	1	1	360.458	2.014	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)Cn2cc[nH+]c2C2CC2)CC1	ZINC000530129669	562399008	/nfs/dbraw/zinc/39/90/08/562399008.db2.gz	OHPWKDODKGVTMA-HNNXBMFYSA-N	1	1	355.467	2.231	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)NC1CCN(c2[nH+]ccn2C)CC1	ZINC000530298034	562405922	/nfs/dbraw/zinc/40/59/22/562405922.db2.gz	ISBOJLCWYQXIDT-UHFFFAOYSA-N	1	1	370.453	2.392	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)c2ccc(C#N)s2)c2cccs2)CC1	ZINC000530676811	562420163	/nfs/dbraw/zinc/42/01/63/562420163.db2.gz	LMTWSZSPSDVVCF-AWEZNQCLSA-N	1	1	360.508	2.400	20	30		FEEDMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000531007325	562431637	/nfs/dbraw/zinc/43/16/37/562431637.db2.gz	IASAVVGIAMERJT-KRWDZBQOSA-N	1	1	355.486	2.120	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)Cc3cccc(C#N)c3)cc2)CC1	ZINC000531384810	562444243	/nfs/dbraw/zinc/44/42/43/562444243.db2.gz	GPNIXMOHHGAQAX-UHFFFAOYSA-N	1	1	362.477	2.165	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000532938625	562493184	/nfs/dbraw/zinc/49/31/84/562493184.db2.gz	VATAPYDJUIBMRO-BMGDILEWSA-N	1	1	356.470	2.101	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000532938625	562493185	/nfs/dbraw/zinc/49/31/85/562493185.db2.gz	VATAPYDJUIBMRO-BMGDILEWSA-N	1	1	356.470	2.101	20	30		FEEDMO
N#Cc1cccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1	ZINC000536432773	562575403	/nfs/dbraw/zinc/57/54/03/562575403.db2.gz	VFGFLAUAZDDEJX-RTWAWAEBSA-N	1	1	363.461	2.100	20	30		FEEDMO
C=CCOCCCC(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000536922784	562582677	/nfs/dbraw/zinc/58/26/77/562582677.db2.gz	SZZUIIILYHNSLK-HDICACEKSA-N	1	1	368.518	2.086	20	30		FEEDMO
C=CCOCCCC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000536922784	562582678	/nfs/dbraw/zinc/58/26/78/562582678.db2.gz	SZZUIIILYHNSLK-HDICACEKSA-N	1	1	368.518	2.086	20	30		FEEDMO
COc1cc(C#N)ccc1NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000546001934	562632478	/nfs/dbraw/zinc/63/24/78/562632478.db2.gz	NVXMWATZXTXEMW-WBVHZDCISA-N	1	1	358.442	2.332	20	30		FEEDMO
C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O	ZINC000602847848	568000665	/nfs/dbraw/zinc/00/06/65/568000665.db2.gz	DQEREQBMTUPTOF-YYAJDYIMSA-N	1	1	358.461	2.406	20	30		FEEDMO
C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O	ZINC000602847848	568000666	/nfs/dbraw/zinc/00/06/66/568000666.db2.gz	DQEREQBMTUPTOF-YYAJDYIMSA-N	1	1	358.461	2.406	20	30		FEEDMO
Cc1ccc(CN(C(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)C2CC2)cc1	ZINC000602858370	568002872	/nfs/dbraw/zinc/00/28/72/568002872.db2.gz	AJDGGFJDZJRUDG-QZTJIDSGSA-N	1	1	354.498	2.404	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1	ZINC000602894452	568013869	/nfs/dbraw/zinc/01/38/69/568013869.db2.gz	CCSFITHFTZSJIE-HXUWFJFHSA-N	1	1	353.470	2.489	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)C1CC1	ZINC000602925243	568018397	/nfs/dbraw/zinc/01/83/97/568018397.db2.gz	HZDRZBDRHUCHBC-ZBFHGGJFSA-N	1	1	355.360	2.137	20	30		FEEDMO
COC(=O)[C@@]1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C	ZINC000602729478	568024775	/nfs/dbraw/zinc/02/47/75/568024775.db2.gz	QCRTZZWGNBDTJC-YWZLYKJASA-N	1	1	367.453	2.490	20	30		FEEDMO
Cc1nnc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1	ZINC000541866103	568044026	/nfs/dbraw/zinc/04/40/26/568044026.db2.gz	MYQUJDOXUYNDKS-UHFFFAOYSA-N	1	1	370.482	2.136	20	30		FEEDMO
Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000568520827	568045907	/nfs/dbraw/zinc/04/59/07/568045907.db2.gz	AQLZQHSNFQOXOS-IBGZPJMESA-N	1	1	360.421	2.496	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C[C@H](C)N1CC#N	ZINC000603088205	568059414	/nfs/dbraw/zinc/05/94/14/568059414.db2.gz	DWVLKYQWIPOOLW-GASCZTMLSA-N	1	1	365.481	2.214	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C[C@H](C)N1CC#N	ZINC000603088205	568059415	/nfs/dbraw/zinc/05/94/15/568059415.db2.gz	DWVLKYQWIPOOLW-GASCZTMLSA-N	1	1	365.481	2.214	20	30		FEEDMO
Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)ncc1C#N	ZINC000568661666	568109168	/nfs/dbraw/zinc/10/91/68/568109168.db2.gz	VWXOQTVTFWQPAA-KRWDZBQOSA-N	1	1	369.469	2.114	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000609484823	568344996	/nfs/dbraw/zinc/34/49/96/568344996.db2.gz	FYGXSVLLMFDMSM-QGZVFWFLSA-N	1	1	359.430	2.089	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000637185247	568534719	/nfs/dbraw/zinc/53/47/19/568534719.db2.gz	GTNCMXRALMOLOK-MJGOQNOKSA-N	1	1	357.498	2.295	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1	ZINC000558681183	674510301	/nfs/dbraw/zinc/51/03/01/674510301.db2.gz	HRXOAASFEDJVHY-CQSZACIVSA-N	1	1	351.447	2.050	20	30		FEEDMO
N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000822802201	606072675	/nfs/dbraw/zinc/07/26/75/606072675.db2.gz	WUBJGVHSULPART-IBGZPJMESA-N	1	1	359.437	2.249	20	30		FEEDMO
N#Cc1csc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1	ZINC000826387685	608502591	/nfs/dbraw/zinc/50/25/91/608502591.db2.gz	KSUIZQMEAITDGX-UHFFFAOYSA-N	1	1	365.466	2.118	20	30		FEEDMO
Brc1ccn2cc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)nc2c1	ZINC000811645897	674618453	/nfs/dbraw/zinc/61/84/53/674618453.db2.gz	DSDZUKJPHRNMDV-CHWSQXEVSA-N	1	1	361.247	2.291	20	30		FEEDMO
C#C[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cc1	ZINC000811914191	674639003	/nfs/dbraw/zinc/63/90/03/674639003.db2.gz	DEBJLVBVEPMOJU-QGZVFWFLSA-N	1	1	362.905	2.340	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1	ZINC000561511441	674673879	/nfs/dbraw/zinc/67/38/79/674673879.db2.gz	MVJIRDXFKFWUCQ-CQSZACIVSA-N	1	1	353.831	2.386	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1	ZINC000562543548	674767684	/nfs/dbraw/zinc/76/76/84/674767684.db2.gz	ZKDYLJLLZFZZDL-FRFSOERESA-N	1	1	363.845	2.012	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1	ZINC000562543548	674767687	/nfs/dbraw/zinc/76/76/87/674767687.db2.gz	ZKDYLJLLZFZZDL-FRFSOERESA-N	1	1	363.845	2.012	20	30		FEEDMO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OCCC(C)C)cc1	ZINC000815082803	674914090	/nfs/dbraw/zinc/91/40/90/674914090.db2.gz	GCZHIYGCCMGBCB-UHFFFAOYSA-N	1	1	352.500	2.345	20	30		FEEDMO
CC#CC[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C[C@H]2C1	ZINC001048872983	675017500	/nfs/dbraw/zinc/01/75/00/675017500.db2.gz	JRLVQLALDGHZGR-XUWVNRHRSA-N	1	1	358.404	2.290	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](CC)OC)C[C@@H]2C1	ZINC001049104424	675023195	/nfs/dbraw/zinc/02/31/95/675023195.db2.gz	LSNXGNWPVYSFGS-PJVZLEMVSA-N	1	1	350.503	2.173	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccns3)C[C@@H]2C1	ZINC001049104898	675023252	/nfs/dbraw/zinc/02/32/52/675023252.db2.gz	XNVLTCBVQVOXEG-MVJTYMMSSA-N	1	1	361.511	2.405	20	30		FEEDMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000569559673	670578294	/nfs/dbraw/zinc/57/82/94/670578294.db2.gz	RLVSWANMAWMSHE-AWEZNQCLSA-N	1	1	362.861	2.191	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cn1	ZINC000109136253	670837392	/nfs/dbraw/zinc/83/73/92/670837392.db2.gz	QJOCLOHMRAXBTC-KRWDZBQOSA-N	1	1	362.499	2.276	20	30		FEEDMO
C[C@H](O[NH+]=C(N)C1CCOCC1)C(=O)Nc1cccc(Br)c1	ZINC000112087821	670865560	/nfs/dbraw/zinc/86/55/60/670865560.db2.gz	BLAYSJUMWUTFFZ-JTQLQIEISA-N	1	1	370.247	2.492	20	30		FEEDMO
O=C(NCC[NH2+]Cc1csc(-c2ccccc2)n1)C1N=CC=CC1=O	ZINC000113361015	670884000	/nfs/dbraw/zinc/88/40/00/670884000.db2.gz	OVGRJPCTNCMVQA-WUKNDPDISA-N	1	1	354.435	2.426	20	30		FEEDMO
CC1CC[NH+]([C@@H](CNC[C@@H](O)CN(C)CCC#N)c2cccs2)CC1	ZINC000565762830	675149506	/nfs/dbraw/zinc/14/95/06/675149506.db2.gz	ZCUQHXYKEDTNJO-MSOLQXFVSA-N	1	1	364.559	2.317	20	30		FEEDMO
N#CCC1(CS(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1	ZINC000573882563	671176555	/nfs/dbraw/zinc/17/65/55/671176555.db2.gz	MMZWEPDBFZEJDC-HNNXBMFYSA-N	1	1	351.472	2.420	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000575094389	671297991	/nfs/dbraw/zinc/29/79/91/671297991.db2.gz	NSEALUWMIJNQPG-GFCCVEGCSA-N	1	1	363.849	2.324	20	30		FEEDMO
COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](CCOCCC#N)CC1	ZINC000575877574	671328276	/nfs/dbraw/zinc/32/82/76/671328276.db2.gz	DJILJEBROQGIGK-KRWDZBQOSA-N	1	1	365.861	2.102	20	30		FEEDMO
N#Cc1ccc(SCC(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1	ZINC000609129229	675911122	/nfs/dbraw/zinc/91/11/22/675911122.db2.gz	BQZGIOGBPMGJEB-KRWDZBQOSA-N	1	1	359.495	2.364	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1	ZINC000609403376	675921382	/nfs/dbraw/zinc/92/13/82/675921382.db2.gz	QVGOIDAMISIKAR-KBPBESRZSA-N	1	1	360.483	2.087	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000580691054	671825046	/nfs/dbraw/zinc/82/50/46/671825046.db2.gz	WVWMLXDVQOTRHY-JFIYKMOQSA-N	1	1	363.527	2.134	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000581851883	671941204	/nfs/dbraw/zinc/94/12/04/671941204.db2.gz	IJOVMHAOZPTWNX-INIZCTEOSA-N	1	1	361.511	2.396	20	30		FEEDMO
C[N@H+](CCCNC(=O)OC(C)(C)C)CC(=O)Nc1sccc1C#N	ZINC000125243750	672009510	/nfs/dbraw/zinc/00/95/10/672009510.db2.gz	HEAKDCDQIBUTME-UHFFFAOYSA-N	1	1	352.460	2.405	20	30		FEEDMO
C[N@@H+](CCCNC(=O)OC(C)(C)C)CC(=O)Nc1sccc1C#N	ZINC000125243750	672009513	/nfs/dbraw/zinc/00/95/13/672009513.db2.gz	HEAKDCDQIBUTME-UHFFFAOYSA-N	1	1	352.460	2.405	20	30		FEEDMO
CC(C)C(N)=[NH+]OCC(=O)N(C)CCOc1ccc(Br)cc1	ZINC000128586743	672050728	/nfs/dbraw/zinc/05/07/28/672050728.db2.gz	HMCNCEXPYDJQKK-UHFFFAOYSA-N	1	1	372.263	2.231	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)OC(C)(C)C	ZINC000130022166	672069196	/nfs/dbraw/zinc/06/91/96/672069196.db2.gz	FKGMFJQOURLLSV-RDTXWAMCSA-N	1	1	354.495	2.228	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)OC(C)(C)C	ZINC000130022166	672069199	/nfs/dbraw/zinc/06/91/99/672069199.db2.gz	FKGMFJQOURLLSV-RDTXWAMCSA-N	1	1	354.495	2.228	20	30		FEEDMO
COCCOCC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000584255240	672170502	/nfs/dbraw/zinc/17/05/02/672170502.db2.gz	AEBIIVQLRNQAOM-LBPRGKRZSA-N	1	1	351.472	2.030	20	30		FEEDMO
COCCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000584255240	672170506	/nfs/dbraw/zinc/17/05/06/672170506.db2.gz	AEBIIVQLRNQAOM-LBPRGKRZSA-N	1	1	351.472	2.030	20	30		FEEDMO
C=C(C)COc1cc(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)ccc1OC	ZINC000154147758	672211618	/nfs/dbraw/zinc/21/16/18/672211618.db2.gz	VVJYENMITOOPFS-INIZCTEOSA-N	1	1	368.499	2.164	20	30		FEEDMO
C=C(C)COc1cc(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)ccc1OC	ZINC000154147758	672211622	/nfs/dbraw/zinc/21/16/22/672211622.db2.gz	VVJYENMITOOPFS-INIZCTEOSA-N	1	1	368.499	2.164	20	30		FEEDMO
COCCN1CCC[C@@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F	ZINC000160712647	672292953	/nfs/dbraw/zinc/29/29/53/672292953.db2.gz	AMPSXIROTNIHRK-GFCCVEGCSA-N	1	1	360.380	2.423	20	30		FEEDMO
CCNC(NCc1nc(-c2ccc(Br)cc2)n[nH]1)=[NH+]CC	ZINC000171042938	672328727	/nfs/dbraw/zinc/32/87/27/672328727.db2.gz	KHRVDQFABKHXEB-UHFFFAOYSA-N	1	1	351.252	2.309	20	30		FEEDMO
CCNC(NCc1n[nH]c(-c2ccc(Br)cc2)n1)=[NH+]CC	ZINC000171042938	672328729	/nfs/dbraw/zinc/32/87/29/672328729.db2.gz	KHRVDQFABKHXEB-UHFFFAOYSA-N	1	1	351.252	2.309	20	30		FEEDMO
COc1cc(CON=C(N)C[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F	ZINC000183964664	672486463	/nfs/dbraw/zinc/48/64/63/672486463.db2.gz	VWEKNTLPSVATDI-NSHDSACASA-N	1	1	354.382	2.406	20	30		FEEDMO
C=CCn1c(C2CC2)nn(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1=S	ZINC000188842776	672599267	/nfs/dbraw/zinc/59/92/67/672599267.db2.gz	TYNCDQNQDBTAQH-AWEZNQCLSA-N	1	1	365.547	2.212	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1	ZINC000611432045	676036854	/nfs/dbraw/zinc/03/68/54/676036854.db2.gz	JRIVJPMQBVEYSM-DOTOQJQBSA-N	1	1	351.878	2.245	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@@H](Nc3ncc(Br)cc3C#N)C2)CC1	ZINC000590690089	672602310	/nfs/dbraw/zinc/60/23/10/672602310.db2.gz	PUOWBUUOGUWJKT-CQSZACIVSA-N	1	1	364.291	2.296	20	30		FEEDMO
C[NH+]1CCC(N2CC[C@@H](Nc3ncc(Br)cc3C#N)C2)CC1	ZINC000590690089	672602311	/nfs/dbraw/zinc/60/23/11/672602311.db2.gz	PUOWBUUOGUWJKT-CQSZACIVSA-N	1	1	364.291	2.296	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)N1CC[C@](O)(CC#N)C1)c1ccccc1Cl	ZINC000591896555	672719016	/nfs/dbraw/zinc/71/90/16/672719016.db2.gz	OQTYVSVJVILOKA-NVXWUHKLSA-N	1	1	350.850	2.003	20	30		FEEDMO
N#CC[C@@]1(O)CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1	ZINC000592145919	672764138	/nfs/dbraw/zinc/76/41/38/672764138.db2.gz	BGRNXVXZLCGUEB-OAHLLOKOSA-N	1	1	370.222	2.267	20	30		FEEDMO
CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCCOc2cccc(C#N)c2)C1	ZINC000592186173	672768870	/nfs/dbraw/zinc/76/88/70/672768870.db2.gz	TYBRFSZWISASFT-INIZCTEOSA-N	1	1	355.360	2.328	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c3ncccc23)CC1	ZINC000592285293	672780576	/nfs/dbraw/zinc/78/05/76/672780576.db2.gz	VFWDYBDHPSCDHJ-UHFFFAOYSA-N	1	1	361.467	2.172	20	30		FEEDMO
C[C@@H](O)[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1F	ZINC000592430869	672801529	/nfs/dbraw/zinc/80/15/29/672801529.db2.gz	CGENQARCGJPOFA-ACJLOTCBSA-N	1	1	362.426	2.183	20	30		FEEDMO
C[C@@](O)(C1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1)C(F)(F)F	ZINC000592505911	672809229	/nfs/dbraw/zinc/80/92/29/672809229.db2.gz	GZLYORYEMXMWFO-OAHLLOKOSA-N	1	1	353.348	2.126	20	30		FEEDMO
N#CC[C@@]1(O)CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1	ZINC000592522009	672810427	/nfs/dbraw/zinc/81/04/27/672810427.db2.gz	GNFZGKSSQQSSFD-MRXNPFEDSA-N	1	1	361.243	2.485	20	30		FEEDMO
N#CC[C@@]1(O)CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1	ZINC000592522009	672810432	/nfs/dbraw/zinc/81/04/32/672810432.db2.gz	GNFZGKSSQQSSFD-MRXNPFEDSA-N	1	1	361.243	2.485	20	30		FEEDMO
COc1ccc(Cl)c(N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)c1	ZINC000593037528	672866657	/nfs/dbraw/zinc/86/66/57/672866657.db2.gz	SBEKZBNUMNQNIQ-UHFFFAOYSA-N	1	1	364.877	2.233	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccsc1C#N)c1cccc(F)c1	ZINC000593524875	672933395	/nfs/dbraw/zinc/93/33/95/672933395.db2.gz	CZUQVCJZJSIWLX-CYBMUJFWSA-N	1	1	353.444	2.340	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)[C@@H](C)C1	ZINC000593699038	672980381	/nfs/dbraw/zinc/98/03/81/672980381.db2.gz	XEFPRCVAPHMWDF-LBPRGKRZSA-N	1	1	350.260	2.416	20	30		FEEDMO
CC(C)[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)[NH+]1CCOCC1	ZINC000328864381	673068434	/nfs/dbraw/zinc/06/84/34/673068434.db2.gz	BJNGOCIONUKRLT-GJZGRUSLSA-N	1	1	371.547	2.247	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1	ZINC000594483770	673087962	/nfs/dbraw/zinc/08/79/62/673087962.db2.gz	PIKCVEHWEGXRQD-IAGOWNOFSA-N	1	1	351.447	2.134	20	30		FEEDMO
N#CCCNC(=O)C[NH+]1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1	ZINC000727441705	673169376	/nfs/dbraw/zinc/16/93/76/673169376.db2.gz	NRJUFOFAUJZXPK-KRWDZBQOSA-N	1	1	360.845	2.118	20	30		FEEDMO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H]2CC[N@H+](C)C2)nc1C	ZINC000729284324	673231258	/nfs/dbraw/zinc/23/12/58/673231258.db2.gz	YQEPJVDNGAZPQN-SNVBAGLBSA-N	1	1	364.500	2.075	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C[N@H+]1C1CC1	ZINC000595553434	673265450	/nfs/dbraw/zinc/26/54/50/673265450.db2.gz	HEPKZILDXADQEB-KBPBESRZSA-N	1	1	359.499	2.077	20	30		FEEDMO
C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2nc(C#N)c(Cl)s2)C1	ZINC000596550109	673393314	/nfs/dbraw/zinc/39/33/14/673393314.db2.gz	CPTGLAACDWVJEL-AWEZNQCLSA-N	1	1	361.902	2.896	20	30		FEEDMO
C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNc2nc(C#N)c(Cl)s2)C1	ZINC000596550109	673393318	/nfs/dbraw/zinc/39/33/18/673393318.db2.gz	CPTGLAACDWVJEL-AWEZNQCLSA-N	1	1	361.902	2.896	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)CCCSC	ZINC000597283045	673463459	/nfs/dbraw/zinc/46/34/59/673463459.db2.gz	AJBUUHSMAKVMQM-CABCVRRESA-N	1	1	351.520	2.189	20	30		FEEDMO
C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(C#N)s2)C1	ZINC000598503416	673576599	/nfs/dbraw/zinc/57/65/99/673576599.db2.gz	BRDAMCKJXKUIKA-INIZCTEOSA-N	1	1	354.479	2.166	20	30		FEEDMO
C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2ccc(C#N)s2)C1	ZINC000598503416	673576604	/nfs/dbraw/zinc/57/66/04/673576604.db2.gz	BRDAMCKJXKUIKA-INIZCTEOSA-N	1	1	354.479	2.166	20	30		FEEDMO
C[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000598601964	673588289	/nfs/dbraw/zinc/58/82/89/673588289.db2.gz	YBYPDOLWDULAQF-UONOGXRCSA-N	1	1	368.275	2.208	20	30		FEEDMO
C[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000598601964	673588291	/nfs/dbraw/zinc/58/82/91/673588291.db2.gz	YBYPDOLWDULAQF-UONOGXRCSA-N	1	1	368.275	2.208	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)CCOCC1	ZINC000599392948	673668681	/nfs/dbraw/zinc/66/86/81/673668681.db2.gz	CGMLUQWZGJAONH-MANSERQUSA-N	1	1	350.503	2.463	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1	ZINC000599646022	673701752	/nfs/dbraw/zinc/70/17/52/673701752.db2.gz	YKQVGGYUVUAIIN-MELADBBJSA-N	1	1	360.483	2.073	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1c(C)cc(F)cc1C#N	ZINC000601376763	673851573	/nfs/dbraw/zinc/85/15/73/673851573.db2.gz	RJNKBYYXJBZZCC-UHFFFAOYSA-N	1	1	350.419	2.222	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2	ZINC000601421386	673859764	/nfs/dbraw/zinc/85/97/64/673859764.db2.gz	FRVYBTDLHDFPSY-QGZVFWFLSA-N	1	1	351.447	2.112	20	30		FEEDMO
N#Cc1cc(N2CCC([N@H+]3CCCOCC3)CC2)ncc1Br	ZINC000603398225	673929447	/nfs/dbraw/zinc/92/94/47/673929447.db2.gz	CUTWATIDCLDIMB-UHFFFAOYSA-N	1	1	365.275	2.407	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Cn1c2ccccc2nc1C(F)(F)F	ZINC000818589050	675226464	/nfs/dbraw/zinc/22/64/64/675226464.db2.gz	NGGOEISROJPIOS-UHFFFAOYSA-N	1	1	352.360	2.126	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819256200	675274531	/nfs/dbraw/zinc/27/45/31/675274531.db2.gz	JVKHNBYRLMQVTG-LSDHHAIUSA-N	1	1	352.479	2.032	20	30		FEEDMO
C=CC1(CC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000820687798	675378824	/nfs/dbraw/zinc/37/88/24/675378824.db2.gz	AHKIDXJSLMAVGT-GASCZTMLSA-N	1	1	351.491	2.351	20	30		FEEDMO
C=CC[N@@H+](CC1(CNC(=O)OC(C)(C)C)CCC1)[C@H]1CCS(=O)(=O)C1	ZINC000820855985	675394391	/nfs/dbraw/zinc/39/43/91/675394391.db2.gz	HPZJZPSPKSHSJQ-HNNXBMFYSA-N	1	1	372.531	2.357	20	30		FEEDMO
C=CC[N@H+](CC1(CNC(=O)OC(C)(C)C)CCC1)[C@H]1CCS(=O)(=O)C1	ZINC000820855985	675394394	/nfs/dbraw/zinc/39/43/94/675394394.db2.gz	HPZJZPSPKSHSJQ-HNNXBMFYSA-N	1	1	372.531	2.357	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccc(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)cc1	ZINC000823533520	675558899	/nfs/dbraw/zinc/55/88/99/675558899.db2.gz	JWYGGDZKWAAWNO-INIZCTEOSA-N	1	1	366.483	2.182	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cncc(Br)c2C)CC1	ZINC000824610834	675613484	/nfs/dbraw/zinc/61/34/84/675613484.db2.gz	RORNOOUXLMSQAA-UHFFFAOYSA-N	1	1	350.260	2.114	20	30		FEEDMO
C[C@H]1CCC[N@H+]1CCNC(=O)COc1cccc(Br)c1C#N	ZINC000828840142	675847903	/nfs/dbraw/zinc/84/79/03/675847903.db2.gz	LPKNPAJZSNMUOM-LBPRGKRZSA-N	1	1	366.259	2.300	20	30		FEEDMO
C#CC[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1	ZINC000829788761	675891011	/nfs/dbraw/zinc/89/10/11/675891011.db2.gz	GFNLEXUAQJOUAZ-ZDUSSCGKSA-N	1	1	359.495	2.400	20	30		FEEDMO
C#CC[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1	ZINC000829788761	675891012	/nfs/dbraw/zinc/89/10/12/675891012.db2.gz	GFNLEXUAQJOUAZ-ZDUSSCGKSA-N	1	1	359.495	2.400	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)c1cccc(CC#N)c1)CCC(F)(F)F	ZINC000619499722	676382177	/nfs/dbraw/zinc/38/21/77/676382177.db2.gz	PTXQOOIFHADGKN-UHFFFAOYSA-N	1	1	363.405	2.305	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1cccc(CC#N)c1)CCC(F)(F)F	ZINC000619499722	676382178	/nfs/dbraw/zinc/38/21/78/676382178.db2.gz	PTXQOOIFHADGKN-UHFFFAOYSA-N	1	1	363.405	2.305	20	30		FEEDMO
C=CCOc1c(Cl)cc(CNC[C@H]2C[N@H+](C)CCN2C)cc1OC	ZINC000623414032	676533886	/nfs/dbraw/zinc/53/38/86/676533886.db2.gz	QVZVEFFEJUKDHF-HNNXBMFYSA-N	1	1	353.894	2.249	20	30		FEEDMO
C=CCOc1c(Cl)cc(CNC[C@H]2C[N@@H+](C)CCN2C)cc1OC	ZINC000623414032	676533889	/nfs/dbraw/zinc/53/38/89/676533889.db2.gz	QVZVEFFEJUKDHF-HNNXBMFYSA-N	1	1	353.894	2.249	20	30		FEEDMO
C=C(C)COc1cc(C[N@H+](C)CCN2CCCS2(=O)=O)ccc1OC	ZINC000678297948	679722816	/nfs/dbraw/zinc/72/28/16/679722816.db2.gz	OEHXJPGKHWRDOK-UHFFFAOYSA-N	1	1	368.499	2.117	20	30		FEEDMO
C=C(C)COc1cc(C[N@@H+](C)CCN2CCCS2(=O)=O)ccc1OC	ZINC000678297948	679722817	/nfs/dbraw/zinc/72/28/17/679722817.db2.gz	OEHXJPGKHWRDOK-UHFFFAOYSA-N	1	1	368.499	2.117	20	30		FEEDMO
C=CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1	ZINC000661378726	678472738	/nfs/dbraw/zinc/47/27/38/678472738.db2.gz	LFZQFNDUJOQISV-INIZCTEOSA-N	1	1	361.511	2.321	20	30		FEEDMO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](C(COC)COC)CC1	ZINC000661421357	678482430	/nfs/dbraw/zinc/48/24/30/678482430.db2.gz	UOENBCYRRGMTMS-AEFFLSMTSA-N	1	1	353.507	2.110	20	30		FEEDMO
C=CC[C@@H]1CCCN(C(=O)C(=O)NCC[N@@H+](CC)CCC(F)(F)F)C1	ZINC000669333162	679229754	/nfs/dbraw/zinc/22/97/54/679229754.db2.gz	KAVDZLPDLSRCCI-CQSZACIVSA-N	1	1	363.424	2.192	20	30		FEEDMO
C=CC[C@@H]1CCCN(C(=O)C(=O)NCC[N@H+](CC)CCC(F)(F)F)C1	ZINC000669333162	679229757	/nfs/dbraw/zinc/22/97/57/679229757.db2.gz	KAVDZLPDLSRCCI-CQSZACIVSA-N	1	1	363.424	2.192	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCS[C@H](C)C1	ZINC000669334357	679229853	/nfs/dbraw/zinc/22/98/53/679229853.db2.gz	DEMFKMZPNCDIIO-OAGGEKHMSA-N	1	1	363.531	2.332	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)s1	ZINC000676336186	679628268	/nfs/dbraw/zinc/62/82/68/679628268.db2.gz	OEHYFIZMZTVCEG-CQSZACIVSA-N	1	1	350.488	2.068	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)s1	ZINC000676336186	679628269	/nfs/dbraw/zinc/62/82/69/679628269.db2.gz	OEHYFIZMZTVCEG-CQSZACIVSA-N	1	1	350.488	2.068	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1	ZINC000974587165	679960797	/nfs/dbraw/zinc/96/07/97/679960797.db2.gz	XTBHHZPWLRKGKO-ARFHVFGLSA-N	1	1	367.921	2.166	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Oc1ccccc1Br	ZINC000748757652	679993350	/nfs/dbraw/zinc/99/33/50/679993350.db2.gz	GVOCMPHHSFEULL-HIFRSBDPSA-N	1	1	365.271	2.430	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Oc1ccccc1Br	ZINC000748757652	679993359	/nfs/dbraw/zinc/99/33/59/679993359.db2.gz	GVOCMPHHSFEULL-HIFRSBDPSA-N	1	1	365.271	2.430	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC000975322130	680030775	/nfs/dbraw/zinc/03/07/75/680030775.db2.gz	VMLNBILBCPMCOY-FVQBIDKESA-N	1	1	369.937	2.460	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([C@@H](C)OC)n2)C1	ZINC001020605491	680112001	/nfs/dbraw/zinc/11/20/01/680112001.db2.gz	KHLYLWYVDCMKEN-DFMBRWPFSA-N	1	1	365.499	2.178	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([C@H](C)OC)n2)C1	ZINC001020605492	680112022	/nfs/dbraw/zinc/11/20/22/680112022.db2.gz	KHLYLWYVDCMKEN-RDUHTLEXSA-N	1	1	365.499	2.178	20	30		FEEDMO
C[C@@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)[NH+]1CCSCC1	ZINC000750891272	680138633	/nfs/dbraw/zinc/13/86/33/680138633.db2.gz	YZRPPEBDIDLLEK-HNNXBMFYSA-N	1	1	358.511	2.081	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1snnc1C	ZINC001021385068	680152970	/nfs/dbraw/zinc/15/29/70/680152970.db2.gz	MPPINDXUGSOWBQ-BMRXWSCTSA-N	1	1	362.499	2.049	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc(COC)n2)C1	ZINC001022099265	680195694	/nfs/dbraw/zinc/19/56/94/680195694.db2.gz	HJNRZZYTNVUANA-CLWVCHIJSA-N	1	1	365.499	2.008	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2csnn2)C1	ZINC001022834455	680241167	/nfs/dbraw/zinc/24/11/67/680241167.db2.gz	UIUOCFVQQLTYCE-NJURLYQPSA-N	1	1	350.488	2.207	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCc2ccns2)C1	ZINC001023376072	680257271	/nfs/dbraw/zinc/25/72/71/680257271.db2.gz	VNTIIQVRBGVTTN-JQHSSLGASA-N	1	1	363.527	2.495	20	30		FEEDMO
C=C(Br)CN1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC001023378943	680257924	/nfs/dbraw/zinc/25/79/24/680257924.db2.gz	FZRHVTYNFGDLNR-QLFBSQMISA-N	1	1	358.324	2.063	20	30		FEEDMO
CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H](O)c3ccc(C#N)cc3)sc2C1	ZINC000752836821	680262707	/nfs/dbraw/zinc/26/27/07/680262707.db2.gz	KLURCWPZBCGHET-INIZCTEOSA-N	1	1	356.451	2.453	20	30		FEEDMO
CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H](O)c3ccc(C#N)cc3)sc2C1	ZINC000752836821	680262712	/nfs/dbraw/zinc/26/27/12/680262712.db2.gz	KLURCWPZBCGHET-INIZCTEOSA-N	1	1	356.451	2.453	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCc2scnc2C)C1	ZINC001023599519	680265042	/nfs/dbraw/zinc/26/50/42/680265042.db2.gz	MRPKBMQVJWBGEV-BBWFWOEESA-N	1	1	363.527	2.413	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCc2ccns2)C1	ZINC001023643295	680268665	/nfs/dbraw/zinc/26/86/65/680268665.db2.gz	TYWSUSCRPCVQBD-SZMVWBNQSA-N	1	1	363.527	2.495	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@H](C)OC)C[C@]2(C)C1	ZINC000982642665	680283683	/nfs/dbraw/zinc/28/36/83/680283683.db2.gz	SLSBOLAKBGAODC-VDWQKOAOSA-N	1	1	350.503	2.173	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCOCC1	ZINC001024702483	680301508	/nfs/dbraw/zinc/30/15/08/680301508.db2.gz	WLEUMXBAWLLXEY-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
COc1cc(Br)cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c1O	ZINC000753935784	680325327	/nfs/dbraw/zinc/32/53/27/680325327.db2.gz	PRHMTHOUHSFCGH-VXGBXAGGSA-N	1	1	367.247	2.357	20	30		FEEDMO
CC[N@H+](CCc1nccs1)Cc1nc2ccccc2c(=O)n1CC#N	ZINC000754364824	680351443	/nfs/dbraw/zinc/35/14/43/680351443.db2.gz	BFKXSCJXHIVYNW-UHFFFAOYSA-N	1	1	353.451	2.441	20	30		FEEDMO
CC[N@@H+](CCc1nccs1)Cc1nc2ccccc2c(=O)n1CC#N	ZINC000754364824	680351445	/nfs/dbraw/zinc/35/14/45/680351445.db2.gz	BFKXSCJXHIVYNW-UHFFFAOYSA-N	1	1	353.451	2.441	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1snnc1C	ZINC001028190627	680372194	/nfs/dbraw/zinc/37/21/94/680372194.db2.gz	XHRVFNUSEHXEIR-VYDXJSESSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1snnc1C	ZINC001028190627	680372198	/nfs/dbraw/zinc/37/21/98/680372198.db2.gz	XHRVFNUSEHXEIR-VYDXJSESSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(C(C)C)ns2)C1	ZINC001000239579	680424305	/nfs/dbraw/zinc/42/43/05/680424305.db2.gz	CFLPKOSITXEXHJ-KFWWJZLASA-N	1	1	364.515	2.333	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2snnc2C)C1	ZINC001034440392	680436060	/nfs/dbraw/zinc/43/60/60/680436060.db2.gz	VMHVQQZDECMJEV-ZOBUZTSGSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2snnc2C)C1	ZINC001034440392	680436063	/nfs/dbraw/zinc/43/60/63/680436063.db2.gz	VMHVQQZDECMJEV-ZOBUZTSGSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CCCC2)CCO1	ZINC001035541394	680450531	/nfs/dbraw/zinc/45/05/31/680450531.db2.gz	HKBWAHFZTRQKCO-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCCC2CCC2)CCO1	ZINC001035543857	680450570	/nfs/dbraw/zinc/45/05/70/680450570.db2.gz	WTOPFBVCLBDTON-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Nc3snc(C)c3C#N)[C@@H]2C)CC[N@H+]1C	ZINC001040274680	680470385	/nfs/dbraw/zinc/47/03/85/680470385.db2.gz	KNTYHJSFVCGXSN-DARAHFNDSA-N	1	1	361.515	2.455	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1	ZINC000836488722	680476321	/nfs/dbraw/zinc/47/63/21/680476321.db2.gz	MJADIKRMEAKAKJ-OAHLLOKOSA-N	1	1	358.269	2.281	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	ZINC000756542377	680483901	/nfs/dbraw/zinc/48/39/01/680483901.db2.gz	IBYKKVLAEPKYSR-RHSMWYFYSA-N	1	1	360.841	2.334	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1nnn(-c2cccc(Cl)c2)c1C	ZINC000756542429	680484250	/nfs/dbraw/zinc/48/42/50/680484250.db2.gz	ITSUBYHXWVNUJR-MRXNPFEDSA-N	1	1	358.829	2.484	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1nnn(-c2cccc(Cl)c2)c1C	ZINC000756542429	680484253	/nfs/dbraw/zinc/48/42/53/680484253.db2.gz	ITSUBYHXWVNUJR-MRXNPFEDSA-N	1	1	358.829	2.484	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(=C)Br)C2)C1	ZINC001041696831	680508753	/nfs/dbraw/zinc/50/87/53/680508753.db2.gz	WTXWIULMMOTVSS-VYDXJSESSA-N	1	1	369.303	2.411	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(=C)Br)C2)C1	ZINC001041696831	680508758	/nfs/dbraw/zinc/50/87/58/680508758.db2.gz	WTXWIULMMOTVSS-VYDXJSESSA-N	1	1	369.303	2.411	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)c1ccccc1Br	ZINC000837155909	680560971	/nfs/dbraw/zinc/56/09/71/680560971.db2.gz	QFAFGADYLAYGDU-JKSUJKDBSA-N	1	1	365.271	2.039	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)c1ccccc1Br	ZINC000837155909	680560972	/nfs/dbraw/zinc/56/09/72/680560972.db2.gz	QFAFGADYLAYGDU-JKSUJKDBSA-N	1	1	365.271	2.039	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)c1ccccc1Br	ZINC000837155907	680561023	/nfs/dbraw/zinc/56/10/23/680561023.db2.gz	QFAFGADYLAYGDU-HOTGVXAUSA-N	1	1	365.271	2.039	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)c1ccccc1Br	ZINC000837155907	680561025	/nfs/dbraw/zinc/56/10/25/680561025.db2.gz	QFAFGADYLAYGDU-HOTGVXAUSA-N	1	1	365.271	2.039	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC001006180872	680597794	/nfs/dbraw/zinc/59/77/94/680597794.db2.gz	AXEODEBTUMINQL-VBNZEHGJSA-N	1	1	369.937	2.459	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCOC)C2)C1	ZINC001045938890	680641441	/nfs/dbraw/zinc/64/14/41/680641441.db2.gz	NYTATTLOKHZKLM-HBFSDRIKSA-N	1	1	350.503	2.319	20	30		FEEDMO
C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1	ZINC001046973995	680655041	/nfs/dbraw/zinc/65/50/41/680655041.db2.gz	BLICPHBNYYYKFV-RBSFLKMASA-N	1	1	352.429	2.173	20	30		FEEDMO
Cc1cccc2c1[C@H](C)CC2=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000766687402	680884875	/nfs/dbraw/zinc/88/48/75/680884875.db2.gz	CCPKQXNEAIMMKT-OAHLLOKOSA-N	1	1	360.527	2.393	20	30		FEEDMO
C[N@H+](CC(=O)OCc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCSC1	ZINC000767112648	680899263	/nfs/dbraw/zinc/89/92/63/680899263.db2.gz	RHYYVGPCWIXJKS-CQSZACIVSA-N	1	1	358.423	2.089	20	30		FEEDMO
C[N@@H+](CC(=O)OCc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCSC1	ZINC000767112648	680899266	/nfs/dbraw/zinc/89/92/66/680899266.db2.gz	RHYYVGPCWIXJKS-CQSZACIVSA-N	1	1	358.423	2.089	20	30		FEEDMO
C=C(Br)CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000767154542	680900860	/nfs/dbraw/zinc/90/08/60/680900860.db2.gz	SADHTPOOQWUCDD-INIZCTEOSA-N	1	1	364.243	2.092	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1snnc1C	ZINC001049732224	681037795	/nfs/dbraw/zinc/03/77/95/681037795.db2.gz	LOKOVLHSQLYGLV-FPCVCCKLSA-N	1	1	362.499	2.003	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1snnc1C	ZINC001049732224	681037797	/nfs/dbraw/zinc/03/77/97/681037797.db2.gz	LOKOVLHSQLYGLV-FPCVCCKLSA-N	1	1	362.499	2.003	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCc2sccc2C1)C[C@@H](O)c1cccc(C#N)c1	ZINC000844364575	681054241	/nfs/dbraw/zinc/05/42/41/681054241.db2.gz	DKXVBRGOSJJIKG-QGZVFWFLSA-N	1	1	355.463	2.170	20	30		FEEDMO
C[N@H+](CC(=O)N1CCc2sccc2C1)C[C@@H](O)c1cccc(C#N)c1	ZINC000844364575	681054244	/nfs/dbraw/zinc/05/42/44/681054244.db2.gz	DKXVBRGOSJJIKG-QGZVFWFLSA-N	1	1	355.463	2.170	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1c1ncc(C#N)cc1Cl	ZINC001050902602	681057266	/nfs/dbraw/zinc/05/72/66/681057266.db2.gz	PTPGPBLFUQUEHT-KCXAZCMYSA-N	1	1	361.877	2.174	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)NC(C)(C)CCN1CC[NH+](C)CC1	ZINC000771664897	681065434	/nfs/dbraw/zinc/06/54/34/681065434.db2.gz	YZLLXYVBNGUGMU-QGZVFWFLSA-N	1	1	354.539	2.490	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001056802804	681156832	/nfs/dbraw/zinc/15/68/32/681156832.db2.gz	DOAJTCAVCDSKGC-GRYCIOLGSA-N	1	1	367.906	2.411	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCCN(c3nc(C#N)c(Cl)s3)CC2)CC[N@H+]1C	ZINC001057248269	681159753	/nfs/dbraw/zinc/15/97/53/681159753.db2.gz	FEIHSUUUQCLCGJ-VXGBXAGGSA-N	1	1	367.906	2.047	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001059443786	681180843	/nfs/dbraw/zinc/18/08/43/681180843.db2.gz	NYPCQJQBFQPYBM-GWOFURMSSA-N	1	1	353.879	2.067	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001059859218	681187220	/nfs/dbraw/zinc/18/72/20/681187220.db2.gz	UDOPODPYWNFLJO-WHOHXGKFSA-N	1	1	367.906	2.458	20	30		FEEDMO
CC[N@@H+](C)Cc1cccc(CNc2ccc(S(N)(=O)=O)cc2C#N)c1	ZINC000774519325	681198233	/nfs/dbraw/zinc/19/82/33/681198233.db2.gz	YLGXMEMAFHXKKY-UHFFFAOYSA-N	1	1	358.467	2.269	20	30		FEEDMO
Cc1nsc(NC[C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1C#N	ZINC001060317316	681199720	/nfs/dbraw/zinc/19/97/20/681199720.db2.gz	AMVFKKDVSGZMFI-RBSFLKMASA-N	1	1	361.515	2.456	20	30		FEEDMO
C=CC1(CC(=O)NC[C@@H]2CCC[N@H+](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000932308831	681219550	/nfs/dbraw/zinc/21/95/50/681219550.db2.gz	BRKRQFHDHJUYKV-HNNXBMFYSA-N	1	1	351.491	2.258	20	30		FEEDMO
C[C@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1	ZINC000932341274	681229092	/nfs/dbraw/zinc/22/90/92/681229092.db2.gz	HQBULPHUFYAAPU-AWEZNQCLSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[C@H]1CC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1	ZINC000932341274	681229097	/nfs/dbraw/zinc/22/90/97/681229097.db2.gz	HQBULPHUFYAAPU-AWEZNQCLSA-N	1	1	354.372	2.284	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c(OC(F)F)c1	ZINC000932781609	681309232	/nfs/dbraw/zinc/30/92/32/681309232.db2.gz	WGUOMXVWOFCUAB-CQSZACIVSA-N	1	1	351.353	2.480	20	30		FEEDMO
COC(=O)C1(C#N)CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1	ZINC000847077980	681329742	/nfs/dbraw/zinc/32/97/42/681329742.db2.gz	SLGOHQJQSOJOBC-OAHLLOKOSA-N	1	1	363.845	2.248	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[C@H]1CCCO1	ZINC000775797810	681336144	/nfs/dbraw/zinc/33/61/44/681336144.db2.gz	DTOMEDSYNVWHMA-XHNCKOQMSA-N	1	1	362.298	2.480	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1sc(CC)cc1C(=O)OCC)[C@H]1CCCO1	ZINC000775796866	681336291	/nfs/dbraw/zinc/33/62/91/681336291.db2.gz	AQGVAAUTUXLXEW-HUUCEWRRSA-N	1	1	364.467	2.196	20	30		FEEDMO
C#C[C@@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1	ZINC000847265515	681355500	/nfs/dbraw/zinc/35/55/00/681355500.db2.gz	AKXUXZDZCSHHGB-IAGOWNOFSA-N	1	1	360.527	2.091	20	30		FEEDMO
C[C@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@@H+]1C	ZINC000847525241	681390461	/nfs/dbraw/zinc/39/04/61/681390461.db2.gz	JNDPNTMBSMBLHN-GJZGRUSLSA-N	1	1	352.479	2.126	20	30		FEEDMO
C[C@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@H+]1C	ZINC000847525241	681390464	/nfs/dbraw/zinc/39/04/64/681390464.db2.gz	JNDPNTMBSMBLHN-GJZGRUSLSA-N	1	1	352.479	2.126	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1	ZINC000933753884	681463690	/nfs/dbraw/zinc/46/36/90/681463690.db2.gz	AQBYBJICWDTWFK-YNKQFZHNSA-N	1	1	360.845	2.126	20	30		FEEDMO
N#Cc1ccc(Br)c(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1	ZINC000934264931	681538603	/nfs/dbraw/zinc/53/86/03/681538603.db2.gz	JSHIAZMMAJPFAX-IAGOWNOFSA-N	1	1	364.287	2.352	20	30		FEEDMO
COc1ccc(C[N@H+](CCCO)CC(=O)Nc2sccc2C#N)cc1	ZINC000934505915	681581843	/nfs/dbraw/zinc/58/18/43/681581843.db2.gz	HLZJMRZRTCDYDA-UHFFFAOYSA-N	1	1	359.451	2.451	20	30		FEEDMO
COc1ccc(C[N@@H+](CCCO)CC(=O)Nc2sccc2C#N)cc1	ZINC000934505915	681581846	/nfs/dbraw/zinc/58/18/46/681581846.db2.gz	HLZJMRZRTCDYDA-UHFFFAOYSA-N	1	1	359.451	2.451	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CC[NH+](CC(=C)Cl)CC2)C1	ZINC000949194123	681623390	/nfs/dbraw/zinc/62/33/90/681623390.db2.gz	JPCBHMBPBQOORD-CVEARBPZSA-N	1	1	354.878	2.023	20	30		FEEDMO
C=CC1(CC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)CN(C(=O)OC(C)(C)C)C1	ZINC000935211448	681711010	/nfs/dbraw/zinc/71/10/10/681711010.db2.gz	CLOZLRVMGVTSHM-GJZGRUSLSA-N	1	1	351.491	2.351	20	30		FEEDMO
C[C@H]1C[NH+]=C(NN=Cc2ccc(Br)c(Br)c2)N1	ZINC000779795520	681754031	/nfs/dbraw/zinc/75/40/31/681754031.db2.gz	VLLPPSPNMHXULS-ZETCQYMHSA-N	1	1	360.053	2.483	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cs1	ZINC000913848520	685486504	/nfs/dbraw/zinc/48/65/04/685486504.db2.gz	IIIYPODCJBSFOK-HNNXBMFYSA-N	1	1	365.480	2.469	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000780981550	681892545	/nfs/dbraw/zinc/89/25/45/681892545.db2.gz	UVTCLGRVORGAHV-QZTJIDSGSA-N	1	1	354.539	2.346	20	30		FEEDMO
C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1	ZINC000940840297	682084398	/nfs/dbraw/zinc/08/43/98/682084398.db2.gz	UOAHSGNSCAJLRC-MJBXVCDLSA-N	1	1	364.408	2.126	20	30		FEEDMO
CN(CCO)c1ccc(C=[NH+]N(C)C(=S)NCc2ccccc2)cc1	ZINC000916277065	685523111	/nfs/dbraw/zinc/52/31/11/685523111.db2.gz	SFBFQKBXDJEUKM-UHFFFAOYSA-N	1	1	356.495	2.456	20	30		FEEDMO
C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)CC2)C1	ZINC000941600048	682138269	/nfs/dbraw/zinc/13/82/69/682138269.db2.gz	SZGZXSJZFXXIJB-QZTJIDSGSA-N	1	1	357.523	2.012	20	30		FEEDMO
C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(Cl)cc3C#N)C[C@]2(C)C1	ZINC000918351682	685538613	/nfs/dbraw/zinc/53/86/13/685538613.db2.gz	MBVBGNFSQQQXHA-IYBDPMFKSA-N	1	1	353.875	2.174	20	30		FEEDMO
C[N@@H+](CCOCC(F)(F)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000787239097	682444041	/nfs/dbraw/zinc/44/40/41/682444041.db2.gz	HXRZGBIQNMZNHT-QMMMGPOBSA-N	1	1	372.256	2.296	20	30		FEEDMO
C=CCCS(=O)(=O)N1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1	ZINC000856549057	682792790	/nfs/dbraw/zinc/79/27/90/682792790.db2.gz	KBQKMAWVENVDGI-GOSISDBHSA-N	1	1	367.515	2.281	20	30		FEEDMO
Cn1cc[nH+]c1N1CCC(NC(=O)c2ccccc2SCC#N)CC1	ZINC000793950779	682920366	/nfs/dbraw/zinc/92/03/66/682920366.db2.gz	DQERVVOCWKLRCG-UHFFFAOYSA-N	1	1	355.467	2.435	20	30		FEEDMO
C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(CC#N)c2)C1	ZINC000794586791	682982272	/nfs/dbraw/zinc/98/22/72/682982272.db2.gz	CODPTMLBWCUFEB-KRWDZBQOSA-N	1	1	355.463	2.434	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000926245390	683097162	/nfs/dbraw/zinc/09/71/62/683097162.db2.gz	ULWSQGZZCPOFQM-VROUVPMXSA-N	1	1	352.519	2.201	20	30		FEEDMO
N#Cc1ccc(NCC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)nc1	ZINC000927162501	683213095	/nfs/dbraw/zinc/21/30/95/683213095.db2.gz	FLDMREXNBHUUDF-OAHLLOKOSA-N	1	1	360.414	2.013	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNc2cc(Br)cnc2C#N)CC1	ZINC000798216939	683322169	/nfs/dbraw/zinc/32/21/69/683322169.db2.gz	LLAVBKKGPIRHGL-ZDUSSCGKSA-N	1	1	366.307	2.401	20	30		FEEDMO
N#CCn1c(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc2ccccc21	ZINC000928100839	683392336	/nfs/dbraw/zinc/39/23/36/683392336.db2.gz	UUHPSMHIBRUJRF-CRAIPNDOSA-N	1	1	354.479	2.474	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)C1=O	ZINC000799358874	683448168	/nfs/dbraw/zinc/44/81/68/683448168.db2.gz	OGAFAKJKMJXFBT-CVEARBPZSA-N	1	1	351.491	2.400	20	30		FEEDMO
COc1c(Br)cccc1C=NNCCC[NH+]1CCOCC1	ZINC000799487756	683459569	/nfs/dbraw/zinc/45/95/69/683459569.db2.gz	AMJUPTMAZJNMQQ-UHFFFAOYSA-N	1	1	356.264	2.104	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCC(C#N)(c2ccccn2)CC1	ZINC000799899787	683506056	/nfs/dbraw/zinc/50/60/56/683506056.db2.gz	FTCZMMRXXKQBOH-MRXNPFEDSA-N	1	1	357.527	2.298	20	30		FEEDMO
C=C(C)CS(=O)(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1	ZINC000921631484	683526254	/nfs/dbraw/zinc/52/62/54/683526254.db2.gz	IJJUKHPLQQUNFG-UHFFFAOYSA-N	1	1	352.500	2.163	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@H+](CCCC)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000929971246	683663290	/nfs/dbraw/zinc/66/32/90/683663290.db2.gz	OCRKQCABTGSVNE-SFHVURJKSA-N	1	1	362.495	2.286	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1	ZINC000930000617	683667234	/nfs/dbraw/zinc/66/72/34/683667234.db2.gz	NCCGKUBIBJYILY-ZWKOTPCHSA-N	1	1	362.495	2.284	20	30		FEEDMO
C[C@](O)(C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)C(F)(F)C(F)(F)F	ZINC000930452036	683736539	/nfs/dbraw/zinc/73/65/39/683736539.db2.gz	FZLRIMHBQGOODK-CIUDSAMLSA-N	1	1	359.257	2.428	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Cc2ccc(OC)c(OC)c2Cl)C1	ZINC000923558336	684305942	/nfs/dbraw/zinc/30/59/42/684305942.db2.gz	YMAAGFYRRGEEKK-AWEZNQCLSA-N	1	1	350.846	2.114	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(OC)c(OC)c2Cl)C1	ZINC000923558336	684305949	/nfs/dbraw/zinc/30/59/49/684305949.db2.gz	YMAAGFYRRGEEKK-AWEZNQCLSA-N	1	1	350.846	2.114	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(OCCOC)cc2Cl)C1	ZINC000923566662	684307196	/nfs/dbraw/zinc/30/71/96/684307196.db2.gz	SCNCLVZPNFDJRA-CQSZACIVSA-N	1	1	350.846	2.193	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OCCOC)cc2Cl)C1	ZINC000923566662	684307201	/nfs/dbraw/zinc/30/72/01/684307201.db2.gz	SCNCLVZPNFDJRA-CQSZACIVSA-N	1	1	350.846	2.193	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC[C@H]21	ZINC000867806608	684393793	/nfs/dbraw/zinc/39/37/93/684393793.db2.gz	GXSUNPWZOUGVQJ-XHDPSFHLSA-N	1	1	373.400	2.292	20	30		FEEDMO
CSC1CC[NH+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000872627362	684991796	/nfs/dbraw/zinc/99/17/96/684991796.db2.gz	AHIGMMPNVIZOJW-UHFFFAOYSA-N	1	1	358.467	2.107	20	30		FEEDMO
CNC(=O)C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1	ZINC000879754465	686900120	/nfs/dbraw/zinc/90/01/20/686900120.db2.gz	FNTSQEZPRKEFKV-UHFFFAOYSA-N	1	1	356.451	2.197	20	30		FEEDMO
CNC(=O)C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1	ZINC000879754465	686900124	/nfs/dbraw/zinc/90/01/24/686900124.db2.gz	FNTSQEZPRKEFKV-UHFFFAOYSA-N	1	1	356.451	2.197	20	30		FEEDMO
CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)CSc1ccc(C#N)cc1	ZINC000880502439	687054938	/nfs/dbraw/zinc/05/49/38/687054938.db2.gz	QXTCMCSQZXXIDU-DLBZAZTESA-N	1	1	359.495	2.266	20	30		FEEDMO
CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c(C#N)n2)C1	ZINC000883079968	687558715	/nfs/dbraw/zinc/55/87/15/687558715.db2.gz	LQVKJUZEXOLMOP-JTQLQIEISA-N	1	1	352.236	2.179	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883099700	687565006	/nfs/dbraw/zinc/56/50/06/687565006.db2.gz	DGVSFELTJDGOBZ-NXEZZACHSA-N	1	1	352.236	2.272	20	30		FEEDMO
C#CC[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1	ZINC000887618497	688462825	/nfs/dbraw/zinc/46/28/25/688462825.db2.gz	JSTUBOYNJYDWQZ-IAGOWNOFSA-N	1	1	360.527	2.091	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)N1CC[NH+](C)CC1	ZINC000888406914	688605557	/nfs/dbraw/zinc/60/55/57/688605557.db2.gz	MKOHTWUKFQZSED-LLVKDONJSA-N	1	1	370.910	2.062	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2nc(Cl)c(C#N)s2)C[C@H](C)O1	ZINC000888420942	688609340	/nfs/dbraw/zinc/60/93/40/688609340.db2.gz	RZCVWIKDPHCLRC-AOOOYVTPSA-N	1	1	357.867	2.241	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2nc(Cl)c(C#N)s2)C[C@H](C)O1	ZINC000888420942	688609341	/nfs/dbraw/zinc/60/93/41/688609341.db2.gz	RZCVWIKDPHCLRC-AOOOYVTPSA-N	1	1	357.867	2.241	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)N(C)Cc2cc(C#N)cs2)CC1	ZINC000893239156	689318998	/nfs/dbraw/zinc/31/89/98/689318998.db2.gz	SJNFSOPFLHMIPN-HNNXBMFYSA-N	1	1	363.531	2.035	20	30		FEEDMO
C[N@@H+]1CCN(C(=O)NCc2nc(C#N)cs2)C[C@@H]1Cc1ccccc1	ZINC000897275398	689999099	/nfs/dbraw/zinc/99/90/99/689999099.db2.gz	MRJAEOBEFKKWRM-INIZCTEOSA-N	1	1	355.467	2.083	20	30		FEEDMO
C[N@H+]1CCN(C(=O)NCc2nc(C#N)cs2)C[C@@H]1Cc1ccccc1	ZINC000897275398	689999102	/nfs/dbraw/zinc/99/91/02/689999102.db2.gz	MRJAEOBEFKKWRM-INIZCTEOSA-N	1	1	355.467	2.083	20	30		FEEDMO
N#C[C@@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1cccc(C(F)(F)F)c1	ZINC000900642029	690542320	/nfs/dbraw/zinc/54/23/20/690542320.db2.gz	CWXKURUAFMZCJW-LSDHHAIUSA-N	1	1	353.344	2.107	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)cc1	ZINC000907179365	691415258	/nfs/dbraw/zinc/41/52/58/691415258.db2.gz	XDBUAVLBDMLWJK-HNNXBMFYSA-N	1	1	364.858	2.188	20	30		FEEDMO
Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C#N)n1	ZINC001164837372	720555675	/nfs/dbraw/zinc/55/56/75/720555675.db2.gz	MCBWXZKHLRHNKY-KZNAEPCWSA-N	1	1	365.485	2.231	20	30		FEEDMO
N#Cc1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1	ZINC001164870026	721052232	/nfs/dbraw/zinc/05/22/32/721052232.db2.gz	VHTDWUQXGDLERV-SJORKVTESA-N	1	1	369.856	2.481	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5ccc(C#N)cc54)C[C@H]3C2)cn1	ZINC001164761055	721091089	/nfs/dbraw/zinc/09/10/89/721091089.db2.gz	ALNHMURJKAABKW-ZWKOTPCHSA-N	1	1	373.464	2.193	20	30		FEEDMO
Cc1cc(C#N)c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1C	ZINC001164764238	721112564	/nfs/dbraw/zinc/11/25/64/721112564.db2.gz	HLRLWWOUKOROGR-IEBWSBKVSA-N	1	1	350.470	2.262	20	30		FEEDMO
Cc1ccc(CC#N)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1	ZINC001164763210	721209686	/nfs/dbraw/zinc/20/96/86/721209686.db2.gz	DSLSEUPYYNSKMR-OALUTQOASA-N	1	1	350.470	2.148	20	30		FEEDMO
Cc1nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1CC#N	ZINC001164769263	721210687	/nfs/dbraw/zinc/21/06/87/721210687.db2.gz	LWTLEDPGGRLTCL-MOPGFXCFSA-N	1	1	350.470	2.148	20	30		FEEDMO
N#Cc1c[nH]c2nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)ccc12	ZINC001164790959	721413862	/nfs/dbraw/zinc/41/38/62/721413862.db2.gz	YORUJQDWUJIJHT-KBPBESRZSA-N	1	1	350.451	2.459	20	30		FEEDMO
N#Cc1ncc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164900333	721520382	/nfs/dbraw/zinc/52/03/82/721520382.db2.gz	QJJZKDHZJBRTCD-DZGCQCFKSA-N	1	1	373.819	2.483	20	30		FEEDMO
N#Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)c1	ZINC001164898174	721523842	/nfs/dbraw/zinc/52/38/42/721523842.db2.gz	IDBYGMBIOWKUBR-PKOBYXMFSA-N	1	1	363.396	2.306	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(F)c2C#N)[C@@H]2CCCO[C@H]12	ZINC001164808784	721562475	/nfs/dbraw/zinc/56/24/75/721562475.db2.gz	VPPSBXORABSBQS-QRVBRYPASA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(F)c2C#N)[C@@H]2CCCO[C@H]12	ZINC001164808784	721562480	/nfs/dbraw/zinc/56/24/80/721562480.db2.gz	VPPSBXORABSBQS-QRVBRYPASA-N	1	1	367.428	2.356	20	30		FEEDMO
Cc1nc(C#N)cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164908700	721566394	/nfs/dbraw/zinc/56/63/94/721566394.db2.gz	RSGYJWDXFRNHDH-WMZOPIPTSA-N	1	1	353.401	2.138	20	30		FEEDMO
N#Cc1cncc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1	ZINC001164903771	721692243	/nfs/dbraw/zinc/69/22/43/721692243.db2.gz	CGSPZLIJFKAOMN-SFHVURJKSA-N	1	1	370.407	2.481	20	30		FEEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(C#N)c(C#N)n3)C[C@@H]21	ZINC001165026286	721825809	/nfs/dbraw/zinc/82/58/09/721825809.db2.gz	OOLSGXQPPORLDI-RIFZZMRRSA-N	1	1	373.464	2.352	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1c(C#N)cnc2cnc(Cl)cc21	ZINC001164930457	721852626	/nfs/dbraw/zinc/85/26/26/721852626.db2.gz	SATHLYRYTXCEAJ-SJORKVTESA-N	1	1	370.888	2.369	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1c(C#N)cnc2cnc(Cl)cc21	ZINC001164930457	721852627	/nfs/dbraw/zinc/85/26/27/721852627.db2.gz	SATHLYRYTXCEAJ-SJORKVTESA-N	1	1	370.888	2.369	20	30		FEEDMO
C=CC[NH+]1CCN(c2nc3cc(C)sc3c(N3CCOCC3)n2)CC1	ZINC001165032295	721868275	/nfs/dbraw/zinc/86/82/75/721868275.db2.gz	NEKQFGPSEJXPEH-UHFFFAOYSA-N	1	1	359.499	2.144	20	30		FEEDMO
C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCOCCC#N	ZINC000549938820	674074197	/nfs/dbraw/zinc/07/41/97/674074197.db2.gz	MCEAEGIUTLDBHF-OAHLLOKOSA-N	1	1	351.472	2.150	20	30		FEEDMO
CNC(=O)c1ccc(C[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)cc1	ZINC000029930235	539868826	/nfs/dbraw/zinc/86/88/26/539868826.db2.gz	JHKZZPPROHWOBZ-UHFFFAOYSA-N	1	1	356.470	2.163	20	30		FEEDMO
CNC(=O)c1ccc(C[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)cc1	ZINC000029930235	539868828	/nfs/dbraw/zinc/86/88/28/539868828.db2.gz	JHKZZPPROHWOBZ-UHFFFAOYSA-N	1	1	356.470	2.163	20	30		FEEDMO
CNC(=O)c1ccc(C[N@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1	ZINC000029929485	539868918	/nfs/dbraw/zinc/86/89/18/539868918.db2.gz	QGDNKGNKZYPQQA-UHFFFAOYSA-N	1	1	364.449	2.425	20	30		FEEDMO
CNC(=O)c1ccc(C[N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)cc1	ZINC000029929485	539868922	/nfs/dbraw/zinc/86/89/22/539868922.db2.gz	QGDNKGNKZYPQQA-UHFFFAOYSA-N	1	1	364.449	2.425	20	30		FEEDMO
CC(C)N(C)C(=O)C1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000030273426	539876585	/nfs/dbraw/zinc/87/65/85/539876585.db2.gz	LSRFXNNUTXRHPP-LJQANCHMSA-N	1	1	368.481	2.242	20	30		FEEDMO
Cc1cc(CN2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)no1	ZINC000041894685	540039075	/nfs/dbraw/zinc/03/90/75/540039075.db2.gz	NCPLCVIGLVZGPG-UHFFFAOYSA-N	1	1	353.426	2.001	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)c2ccc(C#N)cc2)c2cccs2)CC1	ZINC000046708063	540267454	/nfs/dbraw/zinc/26/74/54/540267454.db2.gz	RPEXFKXXQNZRRS-KRWDZBQOSA-N	1	1	354.479	2.338	20	30		FEEDMO
Cc1cccnc1NC(=O)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000047261397	540299498	/nfs/dbraw/zinc/29/94/98/540299498.db2.gz	NYIOBHZESGUSMO-FQEVSTJZSA-N	1	1	371.485	2.095	20	30		FEEDMO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1	ZINC000047104618	540289904	/nfs/dbraw/zinc/28/99/04/540289904.db2.gz	MBUCAUILFUMMTN-IEBWSBKVSA-N	1	1	371.460	2.156	20	30		FEEDMO
N#Cc1ccnc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)c1	ZINC000051877617	540447599	/nfs/dbraw/zinc/44/75/99/540447599.db2.gz	XGNFTHURQQPXAO-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000052829740	540492001	/nfs/dbraw/zinc/49/20/01/540492001.db2.gz	WZMYYGJREXHRAN-OLZOCXBDSA-N	1	1	350.850	2.076	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000052930233	540500424	/nfs/dbraw/zinc/50/04/24/540500424.db2.gz	LGANZAVPGGQOKC-OAHLLOKOSA-N	1	1	360.483	2.187	20	30		FEEDMO
COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)c1	ZINC000053098890	540511188	/nfs/dbraw/zinc/51/11/88/540511188.db2.gz	OBKAYRDJIRKLDN-SFHVURJKSA-N	1	1	370.453	2.497	20	30		FEEDMO
COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)c1	ZINC000053098890	540511190	/nfs/dbraw/zinc/51/11/90/540511190.db2.gz	OBKAYRDJIRKLDN-SFHVURJKSA-N	1	1	370.453	2.497	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1	ZINC000053323718	540526115	/nfs/dbraw/zinc/52/61/15/540526115.db2.gz	RTKNXEKIPQJCSD-UHFFFAOYSA-N	1	1	368.462	2.406	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)NC2CCN(Cc3ccccc3F)CC2)CC1	ZINC000057177206	540776708	/nfs/dbraw/zinc/77/67/08/540776708.db2.gz	DUISUTJUUZWKCG-UHFFFAOYSA-N	1	1	357.473	2.252	20	30		FEEDMO
N#CCc1cccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c1	ZINC000057261731	540783919	/nfs/dbraw/zinc/78/39/19/540783919.db2.gz	XKAUGWAEDYUFRH-IBGZPJMESA-N	1	1	362.433	2.455	20	30		FEEDMO
N#CCc1cccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c1	ZINC000057261731	540783923	/nfs/dbraw/zinc/78/39/23/540783923.db2.gz	XKAUGWAEDYUFRH-IBGZPJMESA-N	1	1	362.433	2.455	20	30		FEEDMO
CC[N@@H+](CC(=O)NC1CCN(C(C)=O)CC1)[C@H](C)c1ccc(C#N)cc1	ZINC000060477478	541114141	/nfs/dbraw/zinc/11/41/41/541114141.db2.gz	ZWLOUPQTQBJQHL-OAHLLOKOSA-N	1	1	356.470	2.068	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(CC(=O)N2CCCC2)CC1)C1(C#N)CCCCC1	ZINC000061051117	541125624	/nfs/dbraw/zinc/12/56/24/541125624.db2.gz	ASYRGNUGOUEZAU-UHFFFAOYSA-N	1	1	374.529	2.396	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000064634796	541213798	/nfs/dbraw/zinc/21/37/98/541213798.db2.gz	RNOKZRIUGFDRTK-UHFFFAOYSA-N	1	1	367.409	2.453	20	30		FEEDMO
N#CCCCOc1cccc(NC(=O)C(=O)N2CCC[N@H+](C3CC3)CC2)c1	ZINC000064305081	541199997	/nfs/dbraw/zinc/19/99/97/541199997.db2.gz	LXKPKJLLVMAHMX-UHFFFAOYSA-N	1	1	370.453	2.004	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)CC1	ZINC000064443792	541206096	/nfs/dbraw/zinc/20/60/96/541206096.db2.gz	XCOMMRCGAFTZBV-UHFFFAOYSA-N	1	1	362.433	2.115	20	30		FEEDMO
Cc1noc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)n1	ZINC000065433481	541237713	/nfs/dbraw/zinc/23/77/13/541237713.db2.gz	KYXJCJJRLSZXOG-IAGOWNOFSA-N	1	1	356.426	2.063	20	30		FEEDMO
CC[N@@H+](CC(=O)NCCCN1CCCC1=O)[C@H](C)c1ccc(C#N)cc1	ZINC000065432908	541238326	/nfs/dbraw/zinc/23/83/26/541238326.db2.gz	JRQQJXHZEOKVRG-MRXNPFEDSA-N	1	1	356.470	2.070	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1	ZINC000066622052	541348564	/nfs/dbraw/zinc/34/85/64/541348564.db2.gz	NAFVEJQUMUYROX-MRXNPFEDSA-N	1	1	354.454	2.066	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1	ZINC000067345249	541447165	/nfs/dbraw/zinc/44/71/65/541447165.db2.gz	IZFADYPCIWRGJU-CVEARBPZSA-N	1	1	359.470	2.427	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CCC)C2)c1	ZINC000067554443	541479781	/nfs/dbraw/zinc/47/97/81/541479781.db2.gz	YEAYCUXXRNLCSE-MRXNPFEDSA-N	1	1	359.470	2.428	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1	ZINC000067781745	541513000	/nfs/dbraw/zinc/51/30/00/541513000.db2.gz	ZWTCNHZXWGVHMI-MRXNPFEDSA-N	1	1	372.469	2.130	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cn2c(CSC)nc3ccccc32)CC1	ZINC000068468162	541595803	/nfs/dbraw/zinc/59/58/03/541595803.db2.gz	HHWSJZXRZZGYEM-UHFFFAOYSA-N	1	1	356.495	2.067	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)COc1ccccc1C#N	ZINC000247392855	549328284	/nfs/dbraw/zinc/32/82/84/549328284.db2.gz	ZUTJQBFXYDPZKL-QFBILLFUSA-N	1	1	364.449	2.359	20	30		FEEDMO
CCOC(=O)c1ccc(N2CCC[N@@H+](CCCSCC#N)CC2)nc1	ZINC000072515609	541824897	/nfs/dbraw/zinc/82/48/97/541824897.db2.gz	FKJGDOZCGQYHSN-UHFFFAOYSA-N	1	1	362.499	2.417	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](C)C1CCN(c2ccc(OC)cc2)CC1	ZINC000072801214	541868276	/nfs/dbraw/zinc/86/82/76/541868276.db2.gz	QQKMDGTXORMZLU-UHFFFAOYSA-N	1	1	358.486	2.358	20	30		FEEDMO
CCC[N@@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1	ZINC000072958253	541896620	/nfs/dbraw/zinc/89/66/20/541896620.db2.gz	OYXHSAPVBCWMBK-UHFFFAOYSA-N	1	1	358.442	2.261	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000073793968	542001030	/nfs/dbraw/zinc/00/10/30/542001030.db2.gz	MXIXKUHDCZTGCZ-LJQANCHMSA-N	1	1	355.463	2.252	20	30		FEEDMO
C=CCN(CC1CCCCC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000074345618	542071767	/nfs/dbraw/zinc/07/17/67/542071767.db2.gz	BSXOFJYBUBVOGV-GOSISDBHSA-N	1	1	364.534	2.352	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](CC)CC1CCN(c2ccccn2)CC1	ZINC000076108804	542233974	/nfs/dbraw/zinc/23/39/74/542233974.db2.gz	LSGNLBWRKDYZSG-UHFFFAOYSA-N	1	1	357.502	2.382	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1	ZINC000801578314	674137371	/nfs/dbraw/zinc/13/73/71/674137371.db2.gz	UWWMWVQJBOSJPE-IBGZPJMESA-N	1	1	351.491	2.424	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc3ccccn32)C1	ZINC000076397760	542274322	/nfs/dbraw/zinc/27/43/22/542274322.db2.gz	FNMGIMPKNIUMIU-SJORKVTESA-N	1	1	353.470	2.498	20	30		FEEDMO
C[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)[NH+]1CCN(c2ccccc2)CC1	ZINC000076744589	542320006	/nfs/dbraw/zinc/32/00/06/542320006.db2.gz	KHWNMSAMXRBCTD-OAHLLOKOSA-N	1	1	366.425	2.484	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH+]1CCC(NC(=O)c2ccccc2F)CC1	ZINC000076966558	542336326	/nfs/dbraw/zinc/33/63/26/542336326.db2.gz	NVPZHTAPQUOZSE-UHFFFAOYSA-N	1	1	359.445	2.221	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1	ZINC000076967807	542336869	/nfs/dbraw/zinc/33/68/69/542336869.db2.gz	YBWKRWVOWVGCJI-UHFFFAOYSA-N	1	1	355.482	2.390	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN1CCC([N@@H+]2CCO[C@@H](C)C2)CC1	ZINC000077284388	542361857	/nfs/dbraw/zinc/36/18/57/542361857.db2.gz	VEZLPMRVRBZMCF-INIZCTEOSA-N	1	1	359.470	2.131	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN1CCC([N@H+]2CCO[C@@H](C)C2)CC1	ZINC000077284388	542361862	/nfs/dbraw/zinc/36/18/62/542361862.db2.gz	VEZLPMRVRBZMCF-INIZCTEOSA-N	1	1	359.470	2.131	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC000077468627	542385086	/nfs/dbraw/zinc/38/50/86/542385086.db2.gz	QKVHZNDMVKZGCJ-LSDHHAIUSA-N	1	1	361.515	2.448	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)C1CCCCC1	ZINC000077538868	542394556	/nfs/dbraw/zinc/39/45/56/542394556.db2.gz	ZPVXPTRQOGAKNR-UHFFFAOYSA-N	1	1	360.433	2.407	20	30		FEEDMO
Cc1nc(C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N	ZINC000078152740	542445677	/nfs/dbraw/zinc/44/56/77/542445677.db2.gz	GPISATJFJFLJOM-OXJNMPFZSA-N	1	1	364.449	2.281	20	30		FEEDMO
Cc1nc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N	ZINC000078152740	542445680	/nfs/dbraw/zinc/44/56/80/542445680.db2.gz	GPISATJFJFLJOM-OXJNMPFZSA-N	1	1	364.449	2.281	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ncc([N+](=O)[O-])cc1C#N	ZINC000078307434	542453678	/nfs/dbraw/zinc/45/36/78/542453678.db2.gz	QRYNPEPDYQUCGI-OAHLLOKOSA-N	1	1	366.425	2.484	20	30		FEEDMO
CCO[C@@H](C)c1nc(CN2CC[NH+](CCO[C@@H](C)C#N)CC2)cs1	ZINC000801923295	674155385	/nfs/dbraw/zinc/15/53/85/674155385.db2.gz	DHQPMEMXRXOTOY-GJZGRUSLSA-N	1	1	352.504	2.287	20	30		FEEDMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1	ZINC000078963691	542490820	/nfs/dbraw/zinc/49/08/20/542490820.db2.gz	HEHLNNUCZLZYGK-HZPDHXFCSA-N	1	1	357.454	2.037	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(NC(N)=O)CC2)c1	ZINC000079466748	542520085	/nfs/dbraw/zinc/52/00/85/542520085.db2.gz	VIIIKDIOWNRAFI-MRXNPFEDSA-N	1	1	371.485	2.071	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1	ZINC000084859976	542721495	/nfs/dbraw/zinc/72/14/95/542721495.db2.gz	WLMFAWDNVMUADR-KRWDZBQOSA-N	1	1	353.378	2.264	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N(C)C[C@H](C)C#N)C2)cc(OC)c1	ZINC000088679548	542754504	/nfs/dbraw/zinc/75/45/04/542754504.db2.gz	BESOTVNHYOEFCC-ZBFHGGJFSA-N	1	1	360.458	2.079	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N(C)C[C@H](C)C#N)C2)cc(OC)c1	ZINC000088679548	542754508	/nfs/dbraw/zinc/75/45/08/542754508.db2.gz	BESOTVNHYOEFCC-ZBFHGGJFSA-N	1	1	360.458	2.079	20	30		FEEDMO
C[N@H+](Cc1cnc2ccc(C#N)cn12)C[C@H](O)COCc1ccccc1	ZINC000092472243	542864798	/nfs/dbraw/zinc/86/47/98/542864798.db2.gz	SUCVTVRCVUWTMB-IBGZPJMESA-N	1	1	350.422	2.215	20	30		FEEDMO
CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000101913576	543049158	/nfs/dbraw/zinc/04/91/58/543049158.db2.gz	ZCMNXURWIUIFBQ-PKOBYXMFSA-N	1	1	368.481	2.292	20	30		FEEDMO
CCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000101913576	543049161	/nfs/dbraw/zinc/04/91/61/543049161.db2.gz	ZCMNXURWIUIFBQ-PKOBYXMFSA-N	1	1	368.481	2.292	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000105033909	543155714	/nfs/dbraw/zinc/15/57/14/543155714.db2.gz	BDSWILLBSZLEJE-INIZCTEOSA-N	1	1	374.485	2.350	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H]2CCOC2)c1C#N	ZINC000106886608	543252563	/nfs/dbraw/zinc/25/25/63/543252563.db2.gz	KRLALGJTCCOBER-OAHLLOKOSA-N	1	1	356.426	2.277	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H]2CCOC2)c1C#N	ZINC000106886608	543252565	/nfs/dbraw/zinc/25/25/65/543252565.db2.gz	KRLALGJTCCOBER-OAHLLOKOSA-N	1	1	356.426	2.277	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)ccc1Cl	ZINC000106963495	543258613	/nfs/dbraw/zinc/25/86/13/543258613.db2.gz	QAQMPCMVRTXJGH-AWEZNQCLSA-N	1	1	360.845	2.283	20	30		FEEDMO
C=CCN(CC=C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000108579009	543295484	/nfs/dbraw/zinc/29/54/84/543295484.db2.gz	QRGVXBGVNGHRTN-LJQANCHMSA-N	1	1	370.497	2.268	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1	ZINC000108587241	543296325	/nfs/dbraw/zinc/29/63/25/543296325.db2.gz	IHLOBCRDSNRAOS-QGZVFWFLSA-N	1	1	356.470	2.453	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2C(=O)N2CCCC2)cc1	ZINC000109389945	543323669	/nfs/dbraw/zinc/32/36/69/543323669.db2.gz	PXXBECGTWMIACX-SFHVURJKSA-N	1	1	354.454	2.364	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000111511347	543405527	/nfs/dbraw/zinc/40/55/27/543405527.db2.gz	COUAYALIUKGAHH-SFHVURJKSA-N	1	1	355.486	2.264	20	30		FEEDMO
CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC(C)(C)O	ZINC000114486892	543520725	/nfs/dbraw/zinc/52/07/25/543520725.db2.gz	PNKJKTLJNBINFN-UHFFFAOYSA-N	1	1	356.388	2.266	20	30		FEEDMO
Cc1cc(N2CCC(N(C)C(=O)c3ccc(C#N)nc3)CC2)nc(C)[nH+]1	ZINC000115053885	543550154	/nfs/dbraw/zinc/55/01/54/543550154.db2.gz	QVSXXBSLTYTCRV-UHFFFAOYSA-N	1	1	350.426	2.101	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1	ZINC000118129307	543647672	/nfs/dbraw/zinc/64/76/72/543647672.db2.gz	XIRXIBXUNCESFJ-ZIAGYGMSSA-N	1	1	374.510	2.476	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)CN2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1C	ZINC000118835147	543660392	/nfs/dbraw/zinc/66/03/92/543660392.db2.gz	DORNLSIFJXRLPM-LJQANCHMSA-N	1	1	358.530	2.185	20	30		FEEDMO
Cc1nc(N2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)sc1C	ZINC000128820265	544074781	/nfs/dbraw/zinc/07/47/81/544074781.db2.gz	NNZBAOCPSZBARB-KRWDZBQOSA-N	1	1	372.494	2.194	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000128552119	544059038	/nfs/dbraw/zinc/05/90/38/544059038.db2.gz	ZUEXUNQEEIHOTK-CYBMUJFWSA-N	1	1	359.451	2.407	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000128552119	544059040	/nfs/dbraw/zinc/05/90/40/544059040.db2.gz	ZUEXUNQEEIHOTK-CYBMUJFWSA-N	1	1	359.451	2.407	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000128582365	544061171	/nfs/dbraw/zinc/06/11/71/544061171.db2.gz	KCHUMKBEUUTKCB-MRXNPFEDSA-N	1	1	360.433	2.263	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC000130430654	544150755	/nfs/dbraw/zinc/15/07/55/544150755.db2.gz	JWNPRSLULJQZQB-UHFFFAOYSA-N	1	1	372.513	2.200	20	30		FEEDMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(C)(C)Oc1ccc(C#N)cc1	ZINC000130430654	544150758	/nfs/dbraw/zinc/15/07/58/544150758.db2.gz	JWNPRSLULJQZQB-UHFFFAOYSA-N	1	1	372.513	2.200	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1	ZINC000134791790	544321424	/nfs/dbraw/zinc/32/14/24/544321424.db2.gz	QEPMONXCCHGHOW-RBUKOAKNSA-N	1	1	372.444	2.370	20	30		FEEDMO
COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1C#N	ZINC000135181556	544337616	/nfs/dbraw/zinc/33/76/16/544337616.db2.gz	ACLJUFQTIIYVDX-ZDUSSCGKSA-N	1	1	359.451	2.407	20	30		FEEDMO
Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[NH+](C)CC2)cc1C	ZINC000149685210	544458509	/nfs/dbraw/zinc/45/85/09/544458509.db2.gz	JGEOVVLBDPVSBE-UHFFFAOYSA-N	1	1	351.454	2.468	20	30		FEEDMO
C=CCSCCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000151247540	544520867	/nfs/dbraw/zinc/52/08/67/544520867.db2.gz	ATRALNLPMVOZNF-MSOLQXFVSA-N	1	1	363.527	2.088	20	30		FEEDMO
CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)C	ZINC000803492082	674245841	/nfs/dbraw/zinc/24/58/41/674245841.db2.gz	BMRPBLGIPSTVEL-IOSXPMGOSA-N	1	1	351.491	2.435	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)[NH+]1CCOCC1	ZINC000187480293	328028968	/nfs/dbraw/zinc/02/89/68/328028968.db2.gz	APHGCFLMXJZORE-LJQANCHMSA-N	1	1	355.482	2.453	20	30		FEEDMO
N#Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1O	ZINC000189198636	328134411	/nfs/dbraw/zinc/13/44/11/328134411.db2.gz	ZNMLTZMHWGOMHX-LJQANCHMSA-N	1	1	365.433	2.151	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192968829	328349448	/nfs/dbraw/zinc/34/94/48/328349448.db2.gz	LYVTTWDUFXFOJQ-OAHLLOKOSA-N	1	1	373.501	2.290	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2Br)[C@H](C)C1	ZINC000192959938	328349227	/nfs/dbraw/zinc/34/92/27/328349227.db2.gz	APWLOKMAAMIHFI-CHWSQXEVSA-N	1	1	352.276	2.208	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCc1ccc2c(c1)CCO2	ZINC000193257368	328365386	/nfs/dbraw/zinc/36/53/86/328365386.db2.gz	IZDUYUUUNSNCDN-MRXNPFEDSA-N	1	1	363.465	2.426	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCc1ccc2c(c1)CCO2	ZINC000193257381	328365414	/nfs/dbraw/zinc/36/54/14/328365414.db2.gz	IZDUYUUUNSNCDN-INIZCTEOSA-N	1	1	363.465	2.426	20	30		FEEDMO
C[N@@H+]1C[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@H]2C1	ZINC000193610900	328385578	/nfs/dbraw/zinc/38/55/78/328385578.db2.gz	PWIBUWHOJZANNF-OKILXGFUSA-N	1	1	358.511	2.321	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)CC2)o1	ZINC000193665707	328388377	/nfs/dbraw/zinc/38/83/77/328388377.db2.gz	FTCWNWXISMPQDR-QGZVFWFLSA-N	1	1	373.501	2.308	20	30		FEEDMO
Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1	ZINC000193849380	328398727	/nfs/dbraw/zinc/39/87/27/328398727.db2.gz	ZNSYRSLSROIEMF-IBGZPJMESA-N	1	1	366.465	2.132	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(=O)NC1CC1	ZINC000007926136	324358962	/nfs/dbraw/zinc/35/89/62/324358962.db2.gz	UMANEPAYTPVITB-UHFFFAOYSA-N	1	1	374.510	2.428	20	30		FEEDMO
CC(C)OC(=O)c1ccc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000089943708	325343955	/nfs/dbraw/zinc/34/39/55/325343955.db2.gz	ULALLJVUNQIKHD-UHFFFAOYSA-N	1	1	355.442	2.493	20	30		FEEDMO
Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1C	ZINC000089942911	325344003	/nfs/dbraw/zinc/34/40/03/325344003.db2.gz	WAHGBTZZRXHKDE-MRXNPFEDSA-N	1	1	371.485	2.093	20	30		FEEDMO
CN(C)C(=O)C(C)(C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000114186319	325877134	/nfs/dbraw/zinc/87/71/34/325877134.db2.gz	DPIQZLPXKLZTCM-UHFFFAOYSA-N	1	1	362.499	2.284	20	30		FEEDMO
CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000117343004	326057860	/nfs/dbraw/zinc/05/78/60/326057860.db2.gz	WYCUCWQWEKDORM-MRXNPFEDSA-N	1	1	359.474	2.015	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c1C#N	ZINC000121720370	326361256	/nfs/dbraw/zinc/36/12/56/326361256.db2.gz	VOCFXUIGWDDSDA-HNNXBMFYSA-N	1	1	354.454	2.281	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c(C#N)c1C	ZINC000171750010	327158766	/nfs/dbraw/zinc/15/87/66/327158766.db2.gz	VGYVLUZKIZCVOE-UKRRQHHQSA-N	1	1	374.485	2.280	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N	ZINC000266549014	329235237	/nfs/dbraw/zinc/23/52/37/329235237.db2.gz	KBZUFDMJFYLNIJ-KRWDZBQOSA-N	1	1	362.433	2.196	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)C1	ZINC000276211326	330129802	/nfs/dbraw/zinc/12/98/02/330129802.db2.gz	ZYEMVDHRAPEZFF-WBMJQRKESA-N	1	1	362.861	2.339	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[N@@H+]3CCCC[C@H]3C)C2)n1	ZINC000377932281	330252981	/nfs/dbraw/zinc/25/29/81/330252981.db2.gz	OEKKYTXHUKKCDX-MJGOQNOKSA-N	1	1	369.513	2.469	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000805795835	674354614	/nfs/dbraw/zinc/35/46/14/674354614.db2.gz	XBDBYQRNYHPZCT-HNAYVOBHSA-N	1	1	351.491	2.400	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000155963877	545587699	/nfs/dbraw/zinc/58/76/99/545587699.db2.gz	SPXXHJBGWAVCTL-LPHOPBHVSA-N	1	1	366.465	2.281	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3cscn3)CC2)cc1	ZINC000159227729	545932800	/nfs/dbraw/zinc/93/28/00/545932800.db2.gz	RGPQIYPHPUNWAJ-UHFFFAOYSA-N	1	1	369.494	2.475	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1	ZINC000159423094	545951813	/nfs/dbraw/zinc/95/18/13/545951813.db2.gz	MPQORFOABBVLMG-INIZCTEOSA-N	1	1	359.470	2.284	20	30		FEEDMO
CNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000164451813	546151490	/nfs/dbraw/zinc/15/14/90/546151490.db2.gz	HULCZARUIYCZFL-LJQANCHMSA-N	1	1	362.433	2.060	20	30		FEEDMO
CNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000164451813	546151494	/nfs/dbraw/zinc/15/14/94/546151494.db2.gz	HULCZARUIYCZFL-LJQANCHMSA-N	1	1	362.433	2.060	20	30		FEEDMO
C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCCCCC#N)C[C@@H](C)O1	ZINC000171474443	546210838	/nfs/dbraw/zinc/21/08/38/546210838.db2.gz	VWIAYFNLJBFQBO-HZPDHXFCSA-N	1	1	372.469	2.044	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(Cc3ccncc3)CC2)CC1	ZINC000171554495	546213549	/nfs/dbraw/zinc/21/35/49/546213549.db2.gz	GVHAXLRBTBDUEM-UHFFFAOYSA-N	1	1	371.529	2.386	20	30		FEEDMO
CCN(CCC#N)C(=O)CN1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1	ZINC000171704733	546219501	/nfs/dbraw/zinc/21/95/01/546219501.db2.gz	HUWYWJHFEORDAK-QGZVFWFLSA-N	1	1	358.486	2.136	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)N[C@@H](c2n[nH]c(C)n2)c2ccccc2)CC1	ZINC000171737884	546222954	/nfs/dbraw/zinc/22/29/54/546222954.db2.gz	RHKRDECCCLYPHT-QGZVFWFLSA-N	1	1	354.458	2.152	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1)c1cccc(Cl)c1	ZINC000175311387	546308588	/nfs/dbraw/zinc/30/85/88/546308588.db2.gz	SGHPMOMXTISFKM-AWEZNQCLSA-N	1	1	362.861	2.174	20	30		FEEDMO
C=CCCCC(=O)N1c2ccccc2CC[C@H]1C(=O)N1CC[NH+](C)CC1	ZINC000175651663	546328075	/nfs/dbraw/zinc/32/80/75/546328075.db2.gz	FUHKOZYLZLNDHJ-IBGZPJMESA-N	1	1	355.482	2.465	20	30		FEEDMO
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCC[NH+]1CCOCC1	ZINC000480288591	561206524	/nfs/dbraw/zinc/20/65/24/561206524.db2.gz	GHLRYCLBDKZWKB-UHFFFAOYSA-N	1	1	358.486	2.448	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1OCC#N	ZINC000177056193	546534180	/nfs/dbraw/zinc/53/41/80/546534180.db2.gz	PBCHDOUFBMYINL-GBYWQYLPSA-N	1	1	355.438	2.352	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000177422108	546613283	/nfs/dbraw/zinc/61/32/83/546613283.db2.gz	CXVYYJZUCDYJCN-SFHVURJKSA-N	1	1	361.467	2.322	20	30		FEEDMO
C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCOC1	ZINC000178787999	546849870	/nfs/dbraw/zinc/84/98/70/546849870.db2.gz	MCRVXMYHVNQMHS-HNNXBMFYSA-N	1	1	354.372	2.141	20	30		FEEDMO
C=CCNC(=O)C[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2	ZINC000180470679	547113150	/nfs/dbraw/zinc/11/31/50/547113150.db2.gz	BGJFXUVEBCSXKX-SNVBAGLBSA-N	1	1	355.232	2.173	20	30		FEEDMO
C[C@H]1CCC[C@@H](CO)[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000181394845	547306209	/nfs/dbraw/zinc/30/62/09/547306209.db2.gz	NOOCOYZMJWGKGU-YOEHRIQHSA-N	1	1	368.399	2.408	20	30		FEEDMO
CCN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000183759156	547714599	/nfs/dbraw/zinc/71/45/99/547714599.db2.gz	KTTXIBYVBHUOFX-TZIWHRDSSA-N	1	1	354.498	2.391	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CO)c1cccc(Br)c1	ZINC000183899308	547736626	/nfs/dbraw/zinc/73/66/26/547736626.db2.gz	KQOQAVHPNUOSRV-HNNXBMFYSA-N	1	1	355.276	2.497	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOCC4(CCOCC4)C3)C2=O)cc1	ZINC000184106007	547770706	/nfs/dbraw/zinc/77/07/06/547770706.db2.gz	SXZNZCNSCMMITL-IBGZPJMESA-N	1	1	369.465	2.183	20	30		FEEDMO
CC(C)[C@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)[NH+]1CCOCC1	ZINC000184360637	547814052	/nfs/dbraw/zinc/81/40/52/547814052.db2.gz	AYLRKRHJTKIQIX-WBVHZDCISA-N	1	1	360.458	2.456	20	30		FEEDMO
Cn1cc(C(=O)NCC2CC[NH+](Cc3cccc(F)c3C#N)CC2)cn1	ZINC000485242545	561315470	/nfs/dbraw/zinc/31/54/70/561315470.db2.gz	ZSEISYWMXCBEQO-UHFFFAOYSA-N	1	1	355.417	2.073	20	30		FEEDMO
COc1cccc(-c2noc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)n2)c1	ZINC000185126438	547936849	/nfs/dbraw/zinc/93/68/49/547936849.db2.gz	CIVJCTRWLNDKSL-ZDUSSCGKSA-N	1	1	357.414	2.158	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000185463035	547988864	/nfs/dbraw/zinc/98/88/64/547988864.db2.gz	MYZCBBBELPWPGA-GASCZTMLSA-N	1	1	365.499	2.213	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H](CCC#N)c1ccccc1	ZINC000185883375	548052232	/nfs/dbraw/zinc/05/22/32/548052232.db2.gz	PDCFCPOQHFJNFQ-IEBWSBKVSA-N	1	1	357.502	2.357	20	30		FEEDMO
COC(=O)[C@]1(C)CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000186370227	548125785	/nfs/dbraw/zinc/12/57/85/548125785.db2.gz	UHADXKXUFVWOKR-SFHVURJKSA-N	1	1	361.467	2.465	20	30		FEEDMO
COC(=O)[C@]1(C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000186370227	548125788	/nfs/dbraw/zinc/12/57/88/548125788.db2.gz	UHADXKXUFVWOKR-SFHVURJKSA-N	1	1	361.467	2.465	20	30		FEEDMO
C=CC[C@@H](C(=O)NC1CC[NH+](CC(=O)NCCC)CC1)c1ccccc1	ZINC000186670937	548170319	/nfs/dbraw/zinc/17/03/19/548170319.db2.gz	KWYVILZYGMNCPJ-LJQANCHMSA-N	1	1	357.498	2.453	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CSCc1ccc(C#N)cc1	ZINC000186892708	548213734	/nfs/dbraw/zinc/21/37/34/548213734.db2.gz	BFVQRVKETVVGDG-OAHLLOKOSA-N	1	1	361.511	2.095	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000187152415	548251723	/nfs/dbraw/zinc/25/17/23/548251723.db2.gz	YTSGWENWEXHWBP-OAQYLSRUSA-N	1	1	359.514	2.279	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CC2(c3ccccc3)CC2)CC1	ZINC000189287812	548298757	/nfs/dbraw/zinc/29/87/57/548298757.db2.gz	JMMIJYGKPUPXPO-HXUWFJFHSA-N	1	1	368.525	2.342	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C	ZINC000189560271	548304851	/nfs/dbraw/zinc/30/48/51/548304851.db2.gz	RZKDRKCHTKICQT-JKSUJKDBSA-N	1	1	363.527	2.290	20	30		FEEDMO
COCCO[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000189686525	548308174	/nfs/dbraw/zinc/30/81/74/548308174.db2.gz	MAKOWUBQHKYJTR-LJQANCHMSA-N	1	1	359.470	2.287	20	30		FEEDMO
COCCO[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000189686525	548308178	/nfs/dbraw/zinc/30/81/78/548308178.db2.gz	MAKOWUBQHKYJTR-LJQANCHMSA-N	1	1	359.470	2.287	20	30		FEEDMO
C=C(C)CS(=O)(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000189803566	548310537	/nfs/dbraw/zinc/31/05/37/548310537.db2.gz	INVTYIOQXABVLT-ZWKOTPCHSA-N	1	1	350.484	2.469	20	30		FEEDMO
C=C(C)CS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000189803566	548310541	/nfs/dbraw/zinc/31/05/41/548310541.db2.gz	INVTYIOQXABVLT-ZWKOTPCHSA-N	1	1	350.484	2.469	20	30		FEEDMO
C=CCN(CCOC)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000191052719	548339213	/nfs/dbraw/zinc/33/92/13/548339213.db2.gz	KYNYBQYSZUOPIZ-SFHVURJKSA-N	1	1	360.502	2.041	20	30		FEEDMO
C[C@@H](C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1	ZINC000486623508	561352689	/nfs/dbraw/zinc/35/26/89/561352689.db2.gz	LXCOOYZCOOGIIE-IIBYNOLFSA-N	1	1	363.461	2.197	20	30		FEEDMO
CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000194859054	548540856	/nfs/dbraw/zinc/54/08/56/548540856.db2.gz	ANIBDNZSHUZALP-PXNSSMCTSA-N	1	1	360.454	2.209	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCCC)C1	ZINC000195316071	548621298	/nfs/dbraw/zinc/62/12/98/548621298.db2.gz	GQHQAGSQOYVVLX-OALUTQOASA-N	1	1	360.498	2.393	20	30		FEEDMO
Cc1cc(F)ccc1C[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000487987759	561380638	/nfs/dbraw/zinc/38/06/38/561380638.db2.gz	LAULZIOFMROIBU-LJQANCHMSA-N	1	1	360.477	2.258	20	30		FEEDMO
Cc1cc(F)ccc1C[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000487987759	561380639	/nfs/dbraw/zinc/38/06/39/561380639.db2.gz	LAULZIOFMROIBU-LJQANCHMSA-N	1	1	360.477	2.258	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2cccc(OCC#N)c2)[C@@H](C)C1	ZINC000245548554	548944976	/nfs/dbraw/zinc/94/49/76/548944976.db2.gz	FTYQMZBEEIRKPQ-FXAWDEMLSA-N	1	1	373.497	2.385	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000245583218	548951473	/nfs/dbraw/zinc/95/14/73/548951473.db2.gz	DDMFEKWVWDWQCO-OGWOLHLISA-N	1	1	366.465	2.361	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000245583218	548951475	/nfs/dbraw/zinc/95/14/75/548951475.db2.gz	DDMFEKWVWDWQCO-OGWOLHLISA-N	1	1	366.465	2.361	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000245882577	549009513	/nfs/dbraw/zinc/00/95/13/549009513.db2.gz	NXSJCTAZJPIYRJ-IXDOHACOSA-N	1	1	360.527	2.435	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O	ZINC000246554905	549161870	/nfs/dbraw/zinc/16/18/70/549161870.db2.gz	YPYHNTUFIGNXRQ-FUHWJXTLSA-N	1	1	354.454	2.024	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H](C)C1	ZINC000246820953	549220627	/nfs/dbraw/zinc/22/06/27/549220627.db2.gz	XEONCBTXNDPEIC-HOTGVXAUSA-N	1	1	362.478	2.055	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H](C)C1	ZINC000248387910	549426362	/nfs/dbraw/zinc/42/63/62/549426362.db2.gz	CIAWMWQPOSYHNH-WMLDXEAASA-N	1	1	367.457	2.333	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000248544745	549454749	/nfs/dbraw/zinc/45/47/49/549454749.db2.gz	IYIBUQSGIWFPQX-ZFWWWQNUSA-N	1	1	353.875	2.316	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000248577670	549461920	/nfs/dbraw/zinc/46/19/20/549461920.db2.gz	NUQYFJRDRXPPKW-JTDSTZFVSA-N	1	1	361.486	2.032	20	30		FEEDMO
CC[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CC[N@H+]1Cc1ccccc1	ZINC000248715020	549489494	/nfs/dbraw/zinc/48/94/94/549489494.db2.gz	FLPLFARFYPXSNO-TZIWHRDSSA-N	1	1	354.498	2.391	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](N[C@@H](C(=O)OC)c2cccc(C#N)c2)[C@H](C)C1	ZINC000249450335	549593516	/nfs/dbraw/zinc/59/35/16/549593516.db2.gz	OFMKHPYOZUMOPA-LSTHTHJFSA-N	1	1	373.497	2.499	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]3CCO)CC2)cc1	ZINC000251842291	549654572	/nfs/dbraw/zinc/65/45/72/549654572.db2.gz	OAQMYAZDCAOOBD-VQTJNVASSA-N	1	1	370.497	2.327	20	30		FEEDMO
C=CCn1cccc1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000490079252	561425973	/nfs/dbraw/zinc/42/59/73/561425973.db2.gz	JSKJKUDOFFTHMK-UHFFFAOYSA-N	1	1	352.438	2.314	20	30		FEEDMO
CC[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@H]1CC(C)(C)Oc2ccccc21	ZINC000261965016	549774603	/nfs/dbraw/zinc/77/46/03/549774603.db2.gz	LETLMJQWLWXMMB-AEFFLSMTSA-N	1	1	373.545	2.090	20	30		FEEDMO
Cc1ccc(NC(=[NH2+])NCc2ccc(N3CCN(C)CC3)nc2)cc1C	ZINC000264148327	549984845	/nfs/dbraw/zinc/98/48/45/549984845.db2.gz	YNOLOSBVZWYPCO-UHFFFAOYSA-N	1	1	352.486	2.377	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)CS(=O)(=O)C1CCCC1)C(C)C	ZINC000264960720	550004359	/nfs/dbraw/zinc/00/43/59/550004359.db2.gz	ZPALPYKNGYBYCD-KRWDZBQOSA-N	1	1	356.532	2.159	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000265697243	550013408	/nfs/dbraw/zinc/01/34/08/550013408.db2.gz	HBPXBGUVQJIJPY-MRXNPFEDSA-N	1	1	369.387	2.077	20	30		FEEDMO
C[C@H](NC(=[NH2+])NC[C@@H]1CN(C)CCN1C)c1ccc(Cl)cc1Cl	ZINC000267446782	550031716	/nfs/dbraw/zinc/03/17/16/550031716.db2.gz	QHDKJYRPZYUASP-WCQYABFASA-N	1	1	358.317	2.205	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1	ZINC000268090692	550037254	/nfs/dbraw/zinc/03/72/54/550037254.db2.gz	KOACMPKWKZSGME-XLIONFOSSA-N	1	1	359.470	2.428	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1	ZINC000268090692	550037257	/nfs/dbraw/zinc/03/72/57/550037257.db2.gz	KOACMPKWKZSGME-XLIONFOSSA-N	1	1	359.470	2.428	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)OCC	ZINC000270082430	550248123	/nfs/dbraw/zinc/24/81/23/550248123.db2.gz	VPUYWBIACBHZCL-MSOLQXFVSA-N	1	1	360.502	2.080	20	30		FEEDMO
C#CCCN1CC[NH+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1	ZINC000272004600	550415822	/nfs/dbraw/zinc/41/58/22/550415822.db2.gz	INOWDCXHOLROAN-LPHOPBHVSA-N	1	1	350.890	2.419	20	30		FEEDMO
CC(C)C(=O)NC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272297964	550435980	/nfs/dbraw/zinc/43/59/80/550435980.db2.gz	ICECHKCGZIOJAH-IBGZPJMESA-N	1	1	368.481	2.290	20	30		FEEDMO
COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1	ZINC000272644708	550462691	/nfs/dbraw/zinc/46/26/91/550462691.db2.gz	FEUFISSWGPWWKD-LSDHHAIUSA-N	1	1	374.441	2.079	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cnn(-c3ccccc3OC)c2CC)CC1	ZINC000274389505	550535725	/nfs/dbraw/zinc/53/57/25/550535725.db2.gz	CPHSRGDKUSQFNK-UHFFFAOYSA-N	1	1	366.465	2.224	20	30		FEEDMO
C=C(C)[C@@H]([NH2+]CCNS(=O)(=O)CCCOC)c1ccc(F)c(F)c1	ZINC000274902639	550563644	/nfs/dbraw/zinc/56/36/44/550563644.db2.gz	TVXBHFWFOXAQHB-MRXNPFEDSA-N	1	1	362.442	2.128	20	30		FEEDMO
CC[C@@](C)(O)C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1	ZINC000275900351	550574996	/nfs/dbraw/zinc/57/49/96/550574996.db2.gz	RNIWQILIUIILTR-HXUWFJFHSA-N	1	1	356.470	2.306	20	30		FEEDMO
C=CCC[N@H+](C)CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000276398900	550578507	/nfs/dbraw/zinc/57/85/07/550578507.db2.gz	KCWKNFITUNWFNW-UHFFFAOYSA-N	1	1	365.499	2.308	20	30		FEEDMO
Cn1cc[nH+]c1N1CCN(Cc2cc(C#N)ccc2Br)CC1	ZINC000276868440	550605012	/nfs/dbraw/zinc/60/50/12/550605012.db2.gz	HJGNAFRJGUBVNH-UHFFFAOYSA-N	1	1	360.259	2.376	20	30		FEEDMO
C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@]1=O	ZINC000277035922	550624437	/nfs/dbraw/zinc/62/44/37/550624437.db2.gz	BLEGZJUZMYQVLJ-SFDCACGMSA-N	1	1	353.875	2.383	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@]1=O	ZINC000277035922	550624439	/nfs/dbraw/zinc/62/44/39/550624439.db2.gz	BLEGZJUZMYQVLJ-SFDCACGMSA-N	1	1	353.875	2.383	20	30		FEEDMO
N#CC1(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CCOCC1	ZINC000277535400	550681729	/nfs/dbraw/zinc/68/17/29/550681729.db2.gz	SWLBKTUSPPPFFR-QGZVFWFLSA-N	1	1	359.495	2.041	20	30		FEEDMO
N#CC1(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CCOCC1	ZINC000277535400	550681731	/nfs/dbraw/zinc/68/17/31/550681731.db2.gz	SWLBKTUSPPPFFR-QGZVFWFLSA-N	1	1	359.495	2.041	20	30		FEEDMO
N#C[C@@H]1CC[C@H]([N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1	ZINC000278602543	550803450	/nfs/dbraw/zinc/80/34/50/550803450.db2.gz	LWFWFBWJBDANBK-ZBFHGGJFSA-N	1	1	351.447	2.214	20	30		FEEDMO
N#C[C@@H]1CC[C@H]([N@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1	ZINC000278602543	550803452	/nfs/dbraw/zinc/80/34/52/550803452.db2.gz	LWFWFBWJBDANBK-ZBFHGGJFSA-N	1	1	351.447	2.214	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c1	ZINC000278876918	550831546	/nfs/dbraw/zinc/83/15/46/550831546.db2.gz	MQPUARQKIGHWEV-DYESRHJHSA-N	1	1	368.481	2.151	20	30		FEEDMO
COC(=O)C[C@@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000279364487	550881900	/nfs/dbraw/zinc/88/19/00/550881900.db2.gz	HWYQRWVFRJPHOL-KRWDZBQOSA-N	1	1	353.426	2.386	20	30		FEEDMO
C[C@H]1OCC[C@@]12C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CCO2	ZINC000279720494	550921059	/nfs/dbraw/zinc/92/10/59/550921059.db2.gz	UPOOXWKXTHCDPV-OXQOHEQNSA-N	1	1	367.453	2.239	20	30		FEEDMO
C[C@H]1OCC[C@@]12C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CCO2	ZINC000279720494	550921060	/nfs/dbraw/zinc/92/10/60/550921060.db2.gz	UPOOXWKXTHCDPV-OXQOHEQNSA-N	1	1	367.453	2.239	20	30		FEEDMO
COC(=O)c1nc([C@H]2CCC[N@@H+]2CCC(=O)N(C)CCC#N)sc1C	ZINC000280470765	550997451	/nfs/dbraw/zinc/99/74/51/550997451.db2.gz	OZAGAVMVZHXLJH-CYBMUJFWSA-N	1	1	364.471	2.137	20	30		FEEDMO
COC(=O)c1nc([C@H]2CCC[N@H+]2CCC(=O)N(C)CCC#N)sc1C	ZINC000280470765	550997452	/nfs/dbraw/zinc/99/74/52/550997452.db2.gz	OZAGAVMVZHXLJH-CYBMUJFWSA-N	1	1	364.471	2.137	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1=O	ZINC000281379465	551090123	/nfs/dbraw/zinc/09/01/23/551090123.db2.gz	OXZVEFBXBKGTDO-HZPDHXFCSA-N	1	1	356.388	2.328	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)C1=O	ZINC000281869022	551150974	/nfs/dbraw/zinc/15/09/74/551150974.db2.gz	BZQLRAYHGIMDBB-HIFRSBDPSA-N	1	1	372.387	2.164	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nc1	ZINC000282061694	551175673	/nfs/dbraw/zinc/17/56/73/551175673.db2.gz	YKXWOTSJTXEECK-KRWDZBQOSA-N	1	1	363.465	2.361	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)C1=O	ZINC000282072514	551176705	/nfs/dbraw/zinc/17/67/05/551176705.db2.gz	SXAYOUWRGBOKDZ-QAPCUYQASA-N	1	1	374.460	2.446	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3cc(C#N)ccn3)CC2)C[C@H](C)O1	ZINC000283761562	551423429	/nfs/dbraw/zinc/42/34/29/551423429.db2.gz	QCKGFJAINSSUCS-IYBDPMFKSA-N	1	1	356.470	2.305	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000284117411	551486968	/nfs/dbraw/zinc/48/69/68/551486968.db2.gz	CPUOVDRCZGVCTH-RBUKOAKNSA-N	1	1	368.481	2.040	20	30		FEEDMO
C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000498531159	561527132	/nfs/dbraw/zinc/52/71/32/561527132.db2.gz	ZPGXDAKKACBOHA-BEVDRBHNSA-N	1	1	373.497	2.457	20	30		FEEDMO
C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)NCCCCC#N)C1	ZINC000284554945	551576482	/nfs/dbraw/zinc/57/64/82/551576482.db2.gz	TWWSLVQVLGIOSK-KRWDZBQOSA-N	1	1	370.497	2.345	20	30		FEEDMO
CC[N@H+]1CC[C@@H](CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1	ZINC000284920501	551667651	/nfs/dbraw/zinc/66/76/51/551667651.db2.gz	ATGTVRJVKHXHPZ-INIZCTEOSA-N	1	1	358.461	2.372	20	30		FEEDMO
COC(=O)c1cnoc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000285289846	551732700	/nfs/dbraw/zinc/73/27/00/551732700.db2.gz	SUWQUDRQBNPAJV-UHFFFAOYSA-N	1	1	354.410	2.041	20	30		FEEDMO
N#CC1(CS(=O)(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1	ZINC000285425842	551754837	/nfs/dbraw/zinc/75/48/37/551754837.db2.gz	WCOMJFVYKLZFGF-IBGZPJMESA-N	1	1	359.495	2.218	20	30		FEEDMO
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)o1	ZINC000286442967	551885730	/nfs/dbraw/zinc/88/57/30/551885730.db2.gz	HZVURXGMMZMNLM-WBVHZDCISA-N	1	1	357.435	2.456	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1	ZINC000286728645	551919498	/nfs/dbraw/zinc/91/94/98/551919498.db2.gz	BLSHADSGAFUTFV-ZFWWWQNUSA-N	1	1	374.872	2.483	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)o1	ZINC000286771057	551924091	/nfs/dbraw/zinc/92/40/91/551924091.db2.gz	FNZWMNSZTUXLGS-UHFFFAOYSA-N	1	1	373.478	2.480	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1	ZINC000287375090	551995993	/nfs/dbraw/zinc/99/59/93/551995993.db2.gz	NDLHLUMGJJGPAY-AWEZNQCLSA-N	1	1	353.831	2.386	20	30		FEEDMO
COC[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(Cl)c1F	ZINC000287663139	552031571	/nfs/dbraw/zinc/03/15/71/552031571.db2.gz	LUFMESPZSVRZEO-VLUKHXRESA-N	1	1	367.808	2.283	20	30		FEEDMO
C=CCN1CC[C@H](N[C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1=O	ZINC000499601823	561554335	/nfs/dbraw/zinc/55/43/35/561554335.db2.gz	FSCOHBUYDIVTFH-LPHOPBHVSA-N	1	1	374.504	2.405	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000288202978	552110125	/nfs/dbraw/zinc/11/01/25/552110125.db2.gz	OIGITDWJWBTANC-DZFIZOCASA-N	1	1	357.498	2.294	20	30		FEEDMO
Cc1onc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C#N	ZINC000499846598	561559694	/nfs/dbraw/zinc/55/96/94/561559694.db2.gz	JZRJZOHXBOGZPA-RDTXWAMCSA-N	1	1	352.438	2.424	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1=O	ZINC000499964091	561563082	/nfs/dbraw/zinc/56/30/82/561563082.db2.gz	LGKUQTFMTNJUAL-MJGOQNOKSA-N	1	1	360.498	2.443	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1	ZINC000289000563	552250508	/nfs/dbraw/zinc/25/05/08/552250508.db2.gz	MJBDFPOWJLKAMV-MRXNPFEDSA-N	1	1	352.390	2.171	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1	ZINC000289000563	552250509	/nfs/dbraw/zinc/25/05/09/552250509.db2.gz	MJBDFPOWJLKAMV-MRXNPFEDSA-N	1	1	352.390	2.171	20	30		FEEDMO
COCCOCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000289016718	552253170	/nfs/dbraw/zinc/25/31/70/552253170.db2.gz	NOZDUCYTYPWPMA-UHFFFAOYSA-N	1	1	351.472	2.032	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000289547605	552338558	/nfs/dbraw/zinc/33/85/58/552338558.db2.gz	BYYMCEGEMNNGNV-KGLIPLIRSA-N	1	1	366.487	2.223	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)c1cncc(C#N)c1	ZINC000289816401	552383133	/nfs/dbraw/zinc/38/31/33/552383133.db2.gz	NUPSCJMRTXSJFK-UHFFFAOYSA-N	1	1	358.467	2.272	20	30		FEEDMO
Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1[N+](=O)[O-]	ZINC000290038836	552418111	/nfs/dbraw/zinc/41/81/11/552418111.db2.gz	UMZLOJBMNHJTBH-CYBMUJFWSA-N	1	1	374.422	2.294	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)c1cncc(C#N)c1)c1ccc(Cl)cc1	ZINC000290090833	552425450	/nfs/dbraw/zinc/42/54/50/552425450.db2.gz	HVDDQNWDYKQHDU-INIZCTEOSA-N	1	1	364.858	2.188	20	30		FEEDMO
Cc1cc(CNC(=O)C(=O)Nc2cccc(C#N)c2)cc(N2CCCC2)[nH+]1	ZINC000290904681	552559318	/nfs/dbraw/zinc/55/93/18/552559318.db2.gz	RXHWEQXIVMDZMA-UHFFFAOYSA-N	1	1	363.421	2.117	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccco1	ZINC000291776676	552660604	/nfs/dbraw/zinc/66/06/04/552660604.db2.gz	WBTKRTSPSYPPLD-CVEARBPZSA-N	1	1	369.425	2.012	20	30		FEEDMO
COc1nc(N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)ncc1Br	ZINC000292833138	552762645	/nfs/dbraw/zinc/76/26/45/552762645.db2.gz	OYNLLWQWDTXNOA-NEPJUHHUSA-N	1	1	366.263	2.062	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2nc(C3CC3)sc2c1	ZINC000293342673	552813482	/nfs/dbraw/zinc/81/34/82/552813482.db2.gz	KFVKTZOPUUDPFK-UHFFFAOYSA-N	1	1	370.478	2.184	20	30		FEEDMO
CC[N@H+](Cc1cc(C#N)n(C)c1)C[C@H](O)COc1ccc(CCOC)cc1	ZINC000293722313	552850534	/nfs/dbraw/zinc/85/05/34/552850534.db2.gz	UBKPYSCXCZUWKP-FQEVSTJZSA-N	1	1	371.481	2.347	20	30		FEEDMO
C#CCNC(=O)CC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C	ZINC000293838826	552861344	/nfs/dbraw/zinc/86/13/44/552861344.db2.gz	QKEYKCSLYFHJEC-CXAGYDPISA-N	1	1	365.271	2.350	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@H]1C	ZINC000293838826	552861345	/nfs/dbraw/zinc/86/13/45/552861345.db2.gz	QKEYKCSLYFHJEC-CXAGYDPISA-N	1	1	365.271	2.350	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(F)cc1I	ZINC000293887555	552865294	/nfs/dbraw/zinc/86/52/94/552865294.db2.gz	DEKPSXFHIQUWAJ-UHFFFAOYSA-N	1	1	374.197	2.115	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1	ZINC000293933973	552869134	/nfs/dbraw/zinc/86/91/34/552869134.db2.gz	IFALMWIKUKJOQO-UHFFFAOYSA-N	1	1	369.465	2.484	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(COc2ccccc2C#N)o1	ZINC000293944903	552869741	/nfs/dbraw/zinc/86/97/41/552869741.db2.gz	JLEVQSXZYMBAKW-UHFFFAOYSA-N	1	1	351.406	2.415	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CCC(=O)CCC(=O)c1ccc(C)s1	ZINC000294040194	552877526	/nfs/dbraw/zinc/87/75/26/552877526.db2.gz	SJQPXKXKBRTWPS-UHFFFAOYSA-N	1	1	362.495	2.440	20	30		FEEDMO
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000294291478	552894354	/nfs/dbraw/zinc/89/43/54/552894354.db2.gz	HCOAXOCZRCCTFA-IBGZPJMESA-N	1	1	373.453	2.391	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cscc1C#N	ZINC000501816413	561606057	/nfs/dbraw/zinc/60/60/57/561606057.db2.gz	IFEDBNREEDIJCA-LJQANCHMSA-N	1	1	355.463	2.329	20	30		FEEDMO
C#CCO[C@@H](C)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1	ZINC000294670650	552925360	/nfs/dbraw/zinc/92/53/60/552925360.db2.gz	JAKOFIWNTGSKGG-INIZCTEOSA-N	1	1	357.454	2.396	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1	ZINC000295085567	552957786	/nfs/dbraw/zinc/95/77/86/552957786.db2.gz	BLIIJTAIKSLZSH-HOCLYGCPSA-N	1	1	356.470	2.499	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2	ZINC000295115688	552960396	/nfs/dbraw/zinc/96/03/96/552960396.db2.gz	JBMGDGXAHMEZQO-MJGOQNOKSA-N	1	1	374.529	2.429	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)c1ccc(Br)cc1C#N	ZINC000295303322	552984131	/nfs/dbraw/zinc/98/41/31/552984131.db2.gz	NPOFXFRRVYTMOI-UHFFFAOYSA-N	1	1	354.248	2.019	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000295545686	553023687	/nfs/dbraw/zinc/02/36/87/553023687.db2.gz	JWOOQWJFGAHMHX-BHYGNILZSA-N	1	1	362.433	2.166	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000295545686	553023690	/nfs/dbraw/zinc/02/36/90/553023690.db2.gz	JWOOQWJFGAHMHX-BHYGNILZSA-N	1	1	362.433	2.166	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@]1(C#N)CC12CCCC2	ZINC000295785885	553059070	/nfs/dbraw/zinc/05/90/70/553059070.db2.gz	JONZPHKEHZCCKR-LAUBAEHRSA-N	1	1	367.497	2.182	20	30		FEEDMO
CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1	ZINC000296096723	553103762	/nfs/dbraw/zinc/10/37/62/553103762.db2.gz	GIJVQLWINOGJOK-MRXNPFEDSA-N	1	1	372.469	2.250	20	30		FEEDMO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC[N@@H+]1CCc2ccccc2C1	ZINC000502664658	561623046	/nfs/dbraw/zinc/62/30/46/561623046.db2.gz	RDCHZCCDJVTTTC-OAQYLSRUSA-N	1	1	371.481	2.423	20	30		FEEDMO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC[N@H+]1CCc2ccccc2C1	ZINC000502664658	561623047	/nfs/dbraw/zinc/62/30/47/561623047.db2.gz	RDCHZCCDJVTTTC-OAQYLSRUSA-N	1	1	371.481	2.423	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000297783516	553338360	/nfs/dbraw/zinc/33/83/60/553338360.db2.gz	HZKAHHOQAWXRBH-LJQANCHMSA-N	1	1	357.498	2.392	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+](C)C[C@H](O)c1cccc(Br)c1	ZINC000298022649	553372788	/nfs/dbraw/zinc/37/27/88/553372788.db2.gz	BHOUOPUPFOAGIM-HNNXBMFYSA-N	1	1	368.275	2.176	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](C)C[C@H](O)c1cccc(Br)c1	ZINC000298022649	553372789	/nfs/dbraw/zinc/37/27/89/553372789.db2.gz	BHOUOPUPFOAGIM-HNNXBMFYSA-N	1	1	368.275	2.176	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000298032435	553374251	/nfs/dbraw/zinc/37/42/51/553374251.db2.gz	FSZHWNREMIFJOF-IUODEOHRSA-N	1	1	374.510	2.284	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1	ZINC000298226333	553400530	/nfs/dbraw/zinc/40/05/30/553400530.db2.gz	AQWBNGHQQPYEER-LJQANCHMSA-N	1	1	365.433	2.061	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)CCCCC1	ZINC000298313773	553411260	/nfs/dbraw/zinc/41/12/60/553411260.db2.gz	OWUFTTZPMZTVAS-UHFFFAOYSA-N	1	1	354.454	2.093	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)CCCCC1	ZINC000298313773	553411263	/nfs/dbraw/zinc/41/12/63/553411263.db2.gz	OWUFTTZPMZTVAS-UHFFFAOYSA-N	1	1	354.454	2.093	20	30		FEEDMO
N#C[C@@H](C(=O)C[N@H+](C[C@H]1CCOC1)C1CC1)c1nc2ccccc2c(=O)[nH]1	ZINC000298766824	553470083	/nfs/dbraw/zinc/47/00/83/553470083.db2.gz	RRAUJOHEVAWJHL-CJNGLKHVSA-N	1	1	366.421	2.013	20	30		FEEDMO
N#C[C@@H](C(=O)C[N@@H+](C[C@H]1CCOC1)C1CC1)c1nc2ccccc2c(=O)[nH]1	ZINC000298766824	553470084	/nfs/dbraw/zinc/47/00/84/553470084.db2.gz	RRAUJOHEVAWJHL-CJNGLKHVSA-N	1	1	366.421	2.013	20	30		FEEDMO
N#C[C@H](C(=O)C[N@H+](C[C@H]1CCOC1)C1CC1)c1nc2ccccc2c(=O)[nH]1	ZINC000298766831	553470203	/nfs/dbraw/zinc/47/02/03/553470203.db2.gz	RRAUJOHEVAWJHL-CZUORRHYSA-N	1	1	366.421	2.013	20	30		FEEDMO
N#C[C@H](C(=O)C[N@@H+](C[C@H]1CCOC1)C1CC1)c1nc2ccccc2c(=O)[nH]1	ZINC000298766831	553470209	/nfs/dbraw/zinc/47/02/09/553470209.db2.gz	RRAUJOHEVAWJHL-CZUORRHYSA-N	1	1	366.421	2.013	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000298796213	553474124	/nfs/dbraw/zinc/47/41/24/553474124.db2.gz	LSWOVGJBGNKUNZ-IRXDYDNUSA-N	1	1	357.454	2.434	20	30		FEEDMO
COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000298796213	553474125	/nfs/dbraw/zinc/47/41/25/553474125.db2.gz	LSWOVGJBGNKUNZ-IRXDYDNUSA-N	1	1	357.454	2.434	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c(F)c1	ZINC000301165142	553627621	/nfs/dbraw/zinc/62/76/21/553627621.db2.gz	VCILABCGZULNPR-QGZVFWFLSA-N	1	1	355.413	2.259	20	30		FEEDMO
N#Cc1cc(Br)ccc1CN1CC[C@H]([NH+]2CCOCC2)C1	ZINC000315556381	553760433	/nfs/dbraw/zinc/76/04/33/553760433.db2.gz	JJBLWBUYJJCEHT-INIZCTEOSA-N	1	1	350.260	2.227	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCCN(C([O-])=[NH+]C[C@H]3CCCn4cc[nH+]c43)C2)n1	ZINC000328607251	553795445	/nfs/dbraw/zinc/79/54/45/553795445.db2.gz	LAUBCORFMIRPMS-IAGOWNOFSA-N	1	1	371.489	2.295	20	30		FEEDMO
C[C@H](CNC(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)[N@H+]1CCC[C@@H](C)C1	ZINC000328680034	553806381	/nfs/dbraw/zinc/80/63/81/553806381.db2.gz	NJBMHEBJEGCZFM-LMMKCTJWSA-N	1	1	372.513	2.412	20	30		FEEDMO
O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCCC[C@H]1C[NH+]1CCOCC1	ZINC000328685476	553807457	/nfs/dbraw/zinc/80/74/57/553807457.db2.gz	FQSFSSFPRBUZHC-JKSUJKDBSA-N	1	1	364.490	2.129	20	30		FEEDMO
O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000328745091	553815762	/nfs/dbraw/zinc/81/57/62/553815762.db2.gz	KSQMQVVIZDIHQG-RYQLBKOJSA-N	1	1	365.518	2.075	20	30		FEEDMO
Cn1cc[nH+]c1N1CCN(CC(=O)N[C@@H]2CCOc3ccccc32)CC1	ZINC000328823448	553827830	/nfs/dbraw/zinc/82/78/30/553827830.db2.gz	GQVPTFZROGZTRP-MRXNPFEDSA-N	1	1	355.442	2.022	20	30		FEEDMO
COCC[N@@H+]1CC[C@H](NC(=O)c2sc([C@H]3CCCOC3)nc2C)C1	ZINC000328822034	553828088	/nfs/dbraw/zinc/82/80/88/553828088.db2.gz	QROWDILDRZEUSP-KBPBESRZSA-N	1	1	353.488	2.371	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)c2sc([C@H]3CCCOC3)nc2C)C1	ZINC000328822034	553828089	/nfs/dbraw/zinc/82/80/89/553828089.db2.gz	QROWDILDRZEUSP-KBPBESRZSA-N	1	1	353.488	2.371	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N1CC[C@H](C2CCOCC2)C1)[NH+]1CCOCC1	ZINC000328830103	553829629	/nfs/dbraw/zinc/82/96/29/553829629.db2.gz	KJWHQYHMYGZBJW-ROUUACIJSA-N	1	1	353.507	2.006	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000328835522	553830059	/nfs/dbraw/zinc/83/00/59/553830059.db2.gz	MJLPOXRJPOJMKI-ZEVUXNIQSA-N	1	1	360.502	2.002	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000328835522	553830060	/nfs/dbraw/zinc/83/00/60/553830060.db2.gz	MJLPOXRJPOJMKI-ZEVUXNIQSA-N	1	1	360.502	2.002	20	30		FEEDMO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)C[N@@H+](C)[C@@H]1CCSC1	ZINC000328842218	553831029	/nfs/dbraw/zinc/83/10/29/553831029.db2.gz	VTPGTDJJLMYEHT-GFCCVEGCSA-N	1	1	363.487	2.185	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)N1CC[C@@H](C2CCOCC2)C1)[NH+]1CCOCC1	ZINC000328871205	553836596	/nfs/dbraw/zinc/83/65/96/553836596.db2.gz	YGMUSWVBGPNKLZ-RTBURBONSA-N	1	1	367.534	2.396	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)C1	ZINC000328920795	553844868	/nfs/dbraw/zinc/84/48/68/553844868.db2.gz	BYSZDKXLNYNUEX-AYBZRNKSSA-N	1	1	359.470	2.243	20	30		FEEDMO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000328938661	553849382	/nfs/dbraw/zinc/84/93/82/553849382.db2.gz	DMLMJBNKJDSMDJ-UWVAXJGDSA-N	1	1	368.437	2.360	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1)NC12CC3CC(CC(C3)C1)C2	ZINC000328960240	553853635	/nfs/dbraw/zinc/85/36/35/553853635.db2.gz	PKZSLMMKWVKVDY-QBNJSCLLSA-N	1	1	373.501	2.030	20	30		FEEDMO
CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1	ZINC000328965130	553855063	/nfs/dbraw/zinc/85/50/63/553855063.db2.gz	MEPIYRZFVGZHCR-KGLIPLIRSA-N	1	1	364.494	2.098	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)C1	ZINC000328999563	553861982	/nfs/dbraw/zinc/86/19/82/553861982.db2.gz	XBWUFSGIAXGSTD-ZRGWGRIASA-N	1	1	364.490	2.380	20	30		FEEDMO
CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC12CCCCC2	ZINC000329008394	553863330	/nfs/dbraw/zinc/86/33/30/553863330.db2.gz	ZQKHKOUBNCDWLA-MSOLQXFVSA-N	1	1	362.518	2.394	20	30		FEEDMO
Cc1noc([C@@H]2CC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000329014297	553864675	/nfs/dbraw/zinc/86/46/75/553864675.db2.gz	FSYQEHWQRNHOFM-WBVHZDCISA-N	1	1	351.410	2.235	20	30		FEEDMO
Cc1noc([C@@H]2CC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000329014297	553864678	/nfs/dbraw/zinc/86/46/78/553864678.db2.gz	FSYQEHWQRNHOFM-WBVHZDCISA-N	1	1	351.410	2.235	20	30		FEEDMO
CO[C@H]1C[C@@H](CN(C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)[N@@H+](C)C1	ZINC000329038422	553868789	/nfs/dbraw/zinc/86/87/89/553868789.db2.gz	RYCKTEMHIXAWCY-KBMXLJTQSA-N	1	1	354.495	2.229	20	30		FEEDMO
CO[C@H]1C[C@@H](C[N@H+](C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)N(C)C1	ZINC000329038422	553868791	/nfs/dbraw/zinc/86/87/91/553868791.db2.gz	RYCKTEMHIXAWCY-KBMXLJTQSA-N	1	1	354.495	2.229	20	30		FEEDMO
CO[C@H]1C[C@@H](C[N@@H+](C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)N(C)C1	ZINC000329038422	553868794	/nfs/dbraw/zinc/86/87/94/553868794.db2.gz	RYCKTEMHIXAWCY-KBMXLJTQSA-N	1	1	354.495	2.229	20	30		FEEDMO
CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3COCCN3C)CC2)cs1	ZINC000329038976	553869781	/nfs/dbraw/zinc/86/97/81/553869781.db2.gz	SETNSBCICWYQRM-INIZCTEOSA-N	1	1	366.531	2.205	20	30		FEEDMO
C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O	ZINC000329052427	553871939	/nfs/dbraw/zinc/87/19/39/553871939.db2.gz	ABTHMSURNQFTOP-ATLVGPNXSA-N	1	1	374.485	2.131	20	30		FEEDMO
C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O	ZINC000329052427	553871942	/nfs/dbraw/zinc/87/19/42/553871942.db2.gz	ABTHMSURNQFTOP-ATLVGPNXSA-N	1	1	374.485	2.131	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O	ZINC000329112905	553882687	/nfs/dbraw/zinc/88/26/87/553882687.db2.gz	HGUTXWQUFCGFIY-RMJJICAUSA-N	1	1	367.534	2.417	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1	ZINC000329144162	553888525	/nfs/dbraw/zinc/88/85/25/553888525.db2.gz	WCKBLQNCIHHLQK-UONOGXRCSA-N	1	1	371.528	2.342	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](c1nc(C)no1)C1CCOCC1	ZINC000329148929	553889614	/nfs/dbraw/zinc/88/96/14/553889614.db2.gz	YNTOEJKCSKXJOS-HZPDHXFCSA-N	1	1	365.478	2.224	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCN2C(=O)C2CCCC2)C1	ZINC000329207195	553902598	/nfs/dbraw/zinc/90/25/98/553902598.db2.gz	ZWBGQXGQCQMBAS-QZTJIDSGSA-N	1	1	365.518	2.481	20	30		FEEDMO
O=C(N[C@H]1CC(=O)N(c2ccccc2Cl)C1)N1CC[NH+](C2CC2)CC1	ZINC000329212396	553903617	/nfs/dbraw/zinc/90/36/17/553903617.db2.gz	HUZVBNXJQLNHKK-ZDUSSCGKSA-N	1	1	362.861	2.139	20	30		FEEDMO
CC1CCC(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1	ZINC000329247437	553910449	/nfs/dbraw/zinc/91/04/49/553910449.db2.gz	WCGDHXYQRIGRHE-DAWZGUTISA-N	1	1	365.518	2.483	20	30		FEEDMO
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000329310403	553922727	/nfs/dbraw/zinc/92/27/27/553922727.db2.gz	QWDYKMSFSODEQK-ZDUSSCGKSA-N	1	1	355.442	2.308	20	30		FEEDMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCOCC2(CC2)C1	ZINC000329429866	553945396	/nfs/dbraw/zinc/94/53/96/553945396.db2.gz	HDLLTHDGWSZHPX-UHFFFAOYSA-N	1	1	351.491	2.048	20	30		FEEDMO
O=C(NCC[NH+]1CCSCC1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O	ZINC000329435053	553946333	/nfs/dbraw/zinc/94/63/33/553946333.db2.gz	LKBZYDFMTXDHQW-CYBMUJFWSA-N	1	1	369.437	2.323	20	30		FEEDMO
Nc1noc(CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1	ZINC000329485049	553955670	/nfs/dbraw/zinc/95/56/70/553955670.db2.gz	SNOZJZSSNGVEIO-CYBMUJFWSA-N	1	1	358.446	2.658	20	30		FEEDMO
O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1	ZINC000329494858	553957744	/nfs/dbraw/zinc/95/77/44/553957744.db2.gz	DHDPWWPMTJHYAJ-APWZRJJASA-N	1	1	354.454	2.422	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000506751193	561707815	/nfs/dbraw/zinc/70/78/15/561707815.db2.gz	XNALCFNIQVIIHO-KXBFYZLASA-N	1	1	351.491	2.438	20	30		FEEDMO
CC[N@H+]1CC[C@H]2OCCN(C(=O)C[C@H](C)NC(=O)C3CCCC3)[C@H]2C1	ZINC000329530812	553962699	/nfs/dbraw/zinc/96/26/99/553962699.db2.gz	JBBZNITWZIJALI-BHYGNILZSA-N	1	1	351.491	2.233	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4nc(C(C)(C)C)cn4C3)[C@@H]2C1	ZINC000329537681	553964035	/nfs/dbraw/zinc/96/40/35/553964035.db2.gz	MGPJJVRQCDUNDX-BZUAXINKSA-N	1	1	359.518	2.435	20	30		FEEDMO
CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCSCC2)C1	ZINC000329591223	553973261	/nfs/dbraw/zinc/97/32/61/553973261.db2.gz	ZVGNOCXBFYTILQ-GXTWGEPZSA-N	1	1	365.503	2.161	20	30		FEEDMO
Cn1ccnc1C[NH+]1CCC(C(=O)NCc2c3c(nn2C)CCCC3)CC1	ZINC000329633712	553980470	/nfs/dbraw/zinc/98/04/70/553980470.db2.gz	SQEHUCNLYSSZIW-UHFFFAOYSA-N	1	1	370.501	2.401	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)NC[C@@H]1COc2ccccc2O1	ZINC000329667381	553984942	/nfs/dbraw/zinc/98/49/42/553984942.db2.gz	RMNFQDHUSOTWJK-BRWVUGGUSA-N	1	1	359.470	2.342	20	30		FEEDMO
Cc1ncc(CN2CCN(C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)CC2)s1	ZINC000329713982	553994307	/nfs/dbraw/zinc/99/43/07/553994307.db2.gz	SHTYIPDVQMENDK-CQSZACIVSA-N	1	1	363.531	2.134	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1	ZINC000329789105	554006479	/nfs/dbraw/zinc/00/64/79/554006479.db2.gz	BSJQUCNIQVKUAB-HZPDHXFCSA-N	1	1	371.547	2.062	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1	ZINC000329791665	554006781	/nfs/dbraw/zinc/00/67/81/554006781.db2.gz	DWYQBYLQMWJAKO-OAGGEKHMSA-N	1	1	374.460	2.404	20	30		FEEDMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CCCCC23CCCC3)CC1	ZINC000329799269	554007837	/nfs/dbraw/zinc/00/78/37/554007837.db2.gz	IDCUXFJZHRGUPR-KRWDZBQOSA-N	1	1	364.534	2.499	20	30		FEEDMO
O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329806725	554009865	/nfs/dbraw/zinc/00/98/65/554009865.db2.gz	BEIMUKFDPJRSDE-RCCFBDPRSA-N	1	1	356.470	2.473	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2COCCO2)[C@H]1c1cccs1	ZINC000329813342	554010753	/nfs/dbraw/zinc/01/07/53/554010753.db2.gz	NKVVLGLYDNHFRZ-FMKPAKJESA-N	1	1	353.488	2.050	20	30		FEEDMO
C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000329815601	554011190	/nfs/dbraw/zinc/01/11/90/554011190.db2.gz	VIIJLVDIGVBVHA-AEFFLSMTSA-N	1	1	364.534	2.008	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000329815601	554011191	/nfs/dbraw/zinc/01/11/91/554011191.db2.gz	VIIJLVDIGVBVHA-AEFFLSMTSA-N	1	1	364.534	2.008	20	30		FEEDMO
Cn1cc2c(n1)CCC[C@@H]2C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000329821095	554012366	/nfs/dbraw/zinc/01/23/66/554012366.db2.gz	GRAOPPDYFPCVSA-MSOLQXFVSA-N	1	1	368.481	2.216	20	30		FEEDMO
N#CCSCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2	ZINC000507209515	561721330	/nfs/dbraw/zinc/72/13/30/561721330.db2.gz	KJIHINVFIGLBOP-SFHVURJKSA-N	1	1	373.522	2.288	20	30		FEEDMO
Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(-n2cc(Cl)cn2)n1	ZINC000329837528	554015859	/nfs/dbraw/zinc/01/58/59/554015859.db2.gz	MWGMFGFQADZGJK-HNNXBMFYSA-N	1	1	374.876	2.469	20	30		FEEDMO
CC(C)[C@H](C(=O)NCC[N@H+]1CCCC(C)(C)C1)N1CCCS1(=O)=O	ZINC000329891961	554025529	/nfs/dbraw/zinc/02/55/29/554025529.db2.gz	IPNGEINRTCUHNU-OAHLLOKOSA-N	1	1	359.536	2.125	20	30		FEEDMO
O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1COCC(=O)N1Cc1ccccc1	ZINC000329934829	554035064	/nfs/dbraw/zinc/03/50/64/554035064.db2.gz	CDYUUEYHPMVKLN-RBUKOAKNSA-N	1	1	371.481	2.387	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@H]1COc2ccccc2O1	ZINC000329941687	554035951	/nfs/dbraw/zinc/03/59/51/554035951.db2.gz	VEUBPYTZNMQFID-HOTGVXAUSA-N	1	1	356.426	2.410	20	30		FEEDMO
O=C(NC[C@@H]1CCc2nccn2C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000329972585	554041467	/nfs/dbraw/zinc/04/14/67/554041467.db2.gz	YFNSVOZHWSTZCN-XYJFISCASA-N	1	1	357.502	2.308	20	30		FEEDMO
CC[C@H](CNC(=O)NC[C@@]1(O)CCSC1)[N@H+]1CCc2ccccc2C1	ZINC000330011859	554049223	/nfs/dbraw/zinc/04/92/23/554049223.db2.gz	JPCPUPIXLJSNFJ-MJGOQNOKSA-N	1	1	363.527	2.195	20	30		FEEDMO
Cn1nccc1N1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1=O	ZINC000330056736	554056571	/nfs/dbraw/zinc/05/65/71/554056571.db2.gz	WIPRTOXFIJHNMZ-JKSUJKDBSA-N	1	1	359.474	2.279	20	30		FEEDMO
C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)S(=O)(=O)C1CCOCC1	ZINC000330068735	554058578	/nfs/dbraw/zinc/05/85/78/554058578.db2.gz	GOVBIYKFMMMFRS-HUUCEWRRSA-N	1	1	374.547	2.436	20	30		FEEDMO
C[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)S(=O)(=O)C1CCOCC1	ZINC000330068735	554058580	/nfs/dbraw/zinc/05/85/80/554058580.db2.gz	GOVBIYKFMMMFRS-HUUCEWRRSA-N	1	1	374.547	2.436	20	30		FEEDMO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1	ZINC000330170060	554077413	/nfs/dbraw/zinc/07/74/13/554077413.db2.gz	DLIYZGRBKMTGJG-CRNXPOROSA-N	1	1	362.478	2.049	20	30		FEEDMO
CO[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C[C@@H]1OC	ZINC000330170929	554077761	/nfs/dbraw/zinc/07/77/61/554077761.db2.gz	DZOJLBDERQTDOK-LJIGWXMPSA-N	1	1	367.515	2.391	20	30		FEEDMO
O=C(CCC1CCCC1)N1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1	ZINC000330178448	554079805	/nfs/dbraw/zinc/07/98/05/554079805.db2.gz	DRPZMPGAYRCYKE-QGZVFWFLSA-N	1	1	373.501	2.227	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)c(Cl)c1	ZINC000330229295	554089315	/nfs/dbraw/zinc/08/93/15/554089315.db2.gz	QBPUSOGLFBMZCU-SFHVURJKSA-N	1	1	358.873	2.487	20	30		FEEDMO
CCC1(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CCOCC1	ZINC000330240932	554091552	/nfs/dbraw/zinc/09/15/52/554091552.db2.gz	FLHCSYPAFOHQEP-INIZCTEOSA-N	1	1	353.507	2.292	20	30		FEEDMO
CCN1C(=O)CC[C@H](C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1cnn(C)c1	ZINC000330353824	554110659	/nfs/dbraw/zinc/11/06/59/554110659.db2.gz	OWVAQTWAWLJSAC-FNHZYXHNSA-N	1	1	373.501	2.161	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(NC(=O)Nc2c(F)cc(Cl)c(C)c2F)CC1	ZINC000330553344	554137124	/nfs/dbraw/zinc/13/71/24/554137124.db2.gz	YKAJSUFSVHDDAS-UHFFFAOYSA-N	1	1	374.819	2.463	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)C1	ZINC000330735825	554164646	/nfs/dbraw/zinc/16/46/46/554164646.db2.gz	LVCNLMXDBYVDLD-UXLLHSPISA-N	1	1	367.515	2.101	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)C1	ZINC000330735825	554164648	/nfs/dbraw/zinc/16/46/48/554164648.db2.gz	LVCNLMXDBYVDLD-UXLLHSPISA-N	1	1	367.515	2.101	20	30		FEEDMO
CNC(=O)c1ccc(NC(=O)N2CCC([N@@H+](C)CCO)CC2)cc1Cl	ZINC000330869793	554180794	/nfs/dbraw/zinc/18/07/94/554180794.db2.gz	QCAWHTQVJTYCRI-UHFFFAOYSA-N	1	1	368.865	2.208	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)NCCc2ccc(F)cc2Cl)C[C@@H]1C	ZINC000330867909	554181022	/nfs/dbraw/zinc/18/10/22/554181022.db2.gz	WAUMLBOCOVCIDS-STQMWFEESA-N	1	1	357.857	2.323	20	30		FEEDMO
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000330914960	554188052	/nfs/dbraw/zinc/18/80/52/554188052.db2.gz	TVXSCQAJOHTQBO-NXOAAHMSSA-N	1	1	352.523	2.352	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1	ZINC000508406106	561761429	/nfs/dbraw/zinc/76/14/29/561761429.db2.gz	OHTTZTSFTORODN-MRXNPFEDSA-N	1	1	361.486	2.238	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)CC1	ZINC000330972676	554195799	/nfs/dbraw/zinc/19/57/99/554195799.db2.gz	NFQZIZQIMZGWFA-CABCVRRESA-N	1	1	374.451	2.342	20	30		FEEDMO
CC(C)NC(=O)NC1(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CCCCC1	ZINC000331009129	554200418	/nfs/dbraw/zinc/20/04/18/554200418.db2.gz	RAQVZNBBZWFUBJ-JKSUJKDBSA-N	1	1	352.523	2.446	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCc1ccccc1F	ZINC000331039293	554205008	/nfs/dbraw/zinc/20/50/08/554205008.db2.gz	BMULHYBNVPPLDG-OAHLLOKOSA-N	1	1	351.466	2.449	20	30		FEEDMO
CO[C@@H](C)c1nc(C)c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)s1	ZINC000331117867	554216106	/nfs/dbraw/zinc/21/61/06/554216106.db2.gz	OGCYDEGZKAYJJL-LBPRGKRZSA-N	1	1	368.503	2.016	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CN2CCCCC2=O)CC1	ZINC000331294375	554242735	/nfs/dbraw/zinc/24/27/35/554242735.db2.gz	MEFJYYFKRNTEOA-OXQOHEQNSA-N	1	1	362.518	2.154	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000332045230	554369239	/nfs/dbraw/zinc/36/92/39/554369239.db2.gz	VOPOAMNASZCGHG-AZUAARDMSA-N	1	1	354.498	2.487	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)c(F)c1	ZINC000332839533	554527765	/nfs/dbraw/zinc/52/77/65/554527765.db2.gz	PTOYSHXUCVRZAK-CVEARBPZSA-N	1	1	371.460	2.202	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N=c2[nH]n(C)cc2C#N)CC[N@@H+]1Cc1ccccc1	ZINC000610572110	554531828	/nfs/dbraw/zinc/53/18/28/554531828.db2.gz	CCTDQOKPANOKDJ-YOEHRIQHSA-N	1	1	352.442	2.466	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N=c2[nH]n(C)cc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000610572110	554531829	/nfs/dbraw/zinc/53/18/29/554531829.db2.gz	CCTDQOKPANOKDJ-YOEHRIQHSA-N	1	1	352.442	2.466	20	30		FEEDMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCC(F)(C#N)CC2)CC1	ZINC000510930768	561850963	/nfs/dbraw/zinc/85/09/63/561850963.db2.gz	AKEYYYZMRKXXBS-UHFFFAOYSA-N	1	1	372.488	2.357	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O	ZINC000348586305	554689755	/nfs/dbraw/zinc/68/97/55/554689755.db2.gz	KYVVZHSUYTTYNT-OGWHTMIXSA-N	1	1	371.481	2.266	20	30		FEEDMO
C[N@H+]1CCCN(c2ccc(-c3noc(-c4ccc(C#N)o4)n3)cn2)CC1	ZINC000350514246	554794255	/nfs/dbraw/zinc/79/42/55/554794255.db2.gz	SYNLQDJVACUNJD-UHFFFAOYSA-N	1	1	350.382	2.405	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1	ZINC000360113533	554863583	/nfs/dbraw/zinc/86/35/83/554863583.db2.gz	UDWUNLLXYAODSG-LSDHHAIUSA-N	1	1	362.499	2.383	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[N@H+](C2CCOCC2)CC1	ZINC000360955876	554896669	/nfs/dbraw/zinc/89/66/69/554896669.db2.gz	BOFQUUKPBFMPOW-INIZCTEOSA-N	1	1	357.454	2.039	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1	ZINC000361479421	554921325	/nfs/dbraw/zinc/92/13/25/554921325.db2.gz	UIAFPDPAWPWEGC-IPELMVKDSA-N	1	1	369.465	2.133	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1	ZINC000361479422	554921354	/nfs/dbraw/zinc/92/13/54/554921354.db2.gz	UIAFPDPAWPWEGC-KFKAGJAMSA-N	1	1	369.465	2.133	20	30		FEEDMO
Cc1ncsc1C(=O)N1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000362221098	554956809	/nfs/dbraw/zinc/95/68/09/554956809.db2.gz	NWPPDMLCDPBULO-QGZVFWFLSA-N	1	1	370.478	2.205	20	30		FEEDMO
Cc1ncsc1C(=O)N1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000362221098	554956813	/nfs/dbraw/zinc/95/68/13/554956813.db2.gz	NWPPDMLCDPBULO-QGZVFWFLSA-N	1	1	370.478	2.205	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1	ZINC000511668131	561877384	/nfs/dbraw/zinc/87/73/84/561877384.db2.gz	RRDNPTDMONPJTK-RDBSUJKOSA-N	1	1	361.408	2.210	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1	ZINC000511668131	561877385	/nfs/dbraw/zinc/87/73/85/561877385.db2.gz	RRDNPTDMONPJTK-RDBSUJKOSA-N	1	1	361.408	2.210	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000363006406	555008200	/nfs/dbraw/zinc/00/82/00/555008200.db2.gz	HQQHLQNYJDOLHX-CVEARBPZSA-N	1	1	370.453	2.027	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c1	ZINC000363250078	555063458	/nfs/dbraw/zinc/06/34/58/555063458.db2.gz	ISJXMYASEGCKLY-CRAIPNDOSA-N	1	1	367.474	2.477	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cnc3ccccc32)C1	ZINC000363510336	555124037	/nfs/dbraw/zinc/12/40/37/555124037.db2.gz	NKOVAQDZEBFIRV-LSDHHAIUSA-N	1	1	355.442	2.074	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)C1	ZINC000363539178	555131326	/nfs/dbraw/zinc/13/13/26/555131326.db2.gz	HEFAPFAKMDIPOZ-LJQANCHMSA-N	1	1	372.538	2.030	20	30		FEEDMO
CN1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)CC1	ZINC000363764208	555181033	/nfs/dbraw/zinc/18/10/33/555181033.db2.gz	USWJKQFLZQXDKH-KRWDZBQOSA-N	1	1	370.497	2.000	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)CC1	ZINC000363764208	555181034	/nfs/dbraw/zinc/18/10/34/555181034.db2.gz	USWJKQFLZQXDKH-KRWDZBQOSA-N	1	1	370.497	2.000	20	30		FEEDMO
C=CCN(C(=O)NCCc1cnn(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363825834	555194479	/nfs/dbraw/zinc/19/44/79/555194479.db2.gz	PNVVRHXNCFMXSN-HXUWFJFHSA-N	1	1	367.497	2.435	20	30		FEEDMO
CCCN1CC[NH+](C2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1	ZINC000364056408	555242005	/nfs/dbraw/zinc/24/20/05/555242005.db2.gz	MYZKJOMNGLDADQ-UHFFFAOYSA-N	1	1	357.458	2.463	20	30		FEEDMO
C[C@@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)cn1C	ZINC000364857443	555416880	/nfs/dbraw/zinc/41/68/80/555416880.db2.gz	WOROMBZKUJBFPF-OXJNMPFZSA-N	1	1	366.465	2.258	20	30		FEEDMO
C[C@@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)cn1C	ZINC000364857443	555416882	/nfs/dbraw/zinc/41/68/82/555416882.db2.gz	WOROMBZKUJBFPF-OXJNMPFZSA-N	1	1	366.465	2.258	20	30		FEEDMO
CC(C)(CCC#N)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000513112932	561925583	/nfs/dbraw/zinc/92/55/83/561925583.db2.gz	HMNCFNBFBVRWLY-MOPGFXCFSA-N	1	1	372.513	2.499	20	30		FEEDMO
CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000513176523	561928110	/nfs/dbraw/zinc/92/81/10/561928110.db2.gz	ATJHXNMXQPHERY-INIZCTEOSA-N	1	1	353.426	2.489	20	30		FEEDMO
Cn1cc[nH+]c1N1CCC(NC(=O)CSc2ccc(C#N)cc2)CC1	ZINC000365458760	555581149	/nfs/dbraw/zinc/58/11/49/555581149.db2.gz	KSWLMPLJIOUKIY-UHFFFAOYSA-N	1	1	355.467	2.169	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1Cl	ZINC000365548073	555605758	/nfs/dbraw/zinc/60/57/58/555605758.db2.gz	CNTZKBBYALWGHY-YSVLISHTSA-N	1	1	365.886	2.316	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ncccc2C)C1	ZINC000365792712	555668984	/nfs/dbraw/zinc/66/89/84/555668984.db2.gz	PDDRGGYYGHCMDM-RDJZCZTQSA-N	1	1	371.485	2.049	20	30		FEEDMO
Cn1cc(C(=O)NC2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)cn1	ZINC000365885249	555692233	/nfs/dbraw/zinc/69/22/33/555692233.db2.gz	MANSIWGXFOHRKL-UHFFFAOYSA-N	1	1	356.857	2.319	20	30		FEEDMO
C[C@@H](C#N)CN(C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)C1CC1	ZINC000513868023	561952849	/nfs/dbraw/zinc/95/28/49/561952849.db2.gz	PCMPAUYXXVWYAO-KBXCAEBGSA-N	1	1	369.469	2.292	20	30		FEEDMO
C[C@@H](C#N)CN(C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)C1CC1	ZINC000513868023	561952850	/nfs/dbraw/zinc/95/28/50/561952850.db2.gz	PCMPAUYXXVWYAO-KBXCAEBGSA-N	1	1	369.469	2.292	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000366536166	555870759	/nfs/dbraw/zinc/87/07/59/555870759.db2.gz	QSXTZHGNEJVCEG-JKSUJKDBSA-N	1	1	364.490	2.080	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000366702567	555913085	/nfs/dbraw/zinc/91/30/85/555913085.db2.gz	OMRQZNRXTPDAMU-RDGPPVDQSA-N	1	1	358.486	2.355	20	30		FEEDMO
N#Cc1ccc(S(N)(=O)=O)cc1NC[C@H]1CCC[N@H+]1Cc1ccccc1	ZINC000367418147	556043415	/nfs/dbraw/zinc/04/34/15/556043415.db2.gz	JTXRCRKALKQEJV-QGZVFWFLSA-N	1	1	370.478	2.282	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)CC1	ZINC000367552209	556080953	/nfs/dbraw/zinc/08/09/53/556080953.db2.gz	MTSDLMXFOKSMSS-IRXDYDNUSA-N	1	1	361.490	2.057	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)CC1	ZINC000367552209	556080956	/nfs/dbraw/zinc/08/09/56/556080956.db2.gz	MTSDLMXFOKSMSS-IRXDYDNUSA-N	1	1	361.490	2.057	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000367785120	556138418	/nfs/dbraw/zinc/13/84/18/556138418.db2.gz	VZZGXFJVZXLZGS-HEFCMCLBSA-N	1	1	351.381	2.205	20	30		FEEDMO
N#C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000367785120	556138419	/nfs/dbraw/zinc/13/84/19/556138419.db2.gz	VZZGXFJVZXLZGS-HEFCMCLBSA-N	1	1	351.381	2.205	20	30		FEEDMO
CC(C)[N@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000514993738	561990570	/nfs/dbraw/zinc/99/05/70/561990570.db2.gz	KBVBZDGXYZMCPQ-SFHVURJKSA-N	1	1	366.469	2.097	20	30		FEEDMO
C[C@@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1c[nH]c(C#N)c1	ZINC000368014309	556195241	/nfs/dbraw/zinc/19/52/41/556195241.db2.gz	DMXCJVIAFCLCMB-HNAYVOBHSA-N	1	1	352.438	2.248	20	30		FEEDMO
C[C@@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1c[nH]c(C#N)c1	ZINC000368014309	556195244	/nfs/dbraw/zinc/19/52/44/556195244.db2.gz	DMXCJVIAFCLCMB-HNAYVOBHSA-N	1	1	352.438	2.248	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)CC2)c(F)c1	ZINC000368059203	556207228	/nfs/dbraw/zinc/20/72/28/556207228.db2.gz	XYKWZSXXSAVFPC-QGZVFWFLSA-N	1	1	353.401	2.120	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1	ZINC000368186899	556242566	/nfs/dbraw/zinc/24/25/66/556242566.db2.gz	BRPCTPMXLOJUCH-YSTOQKLRSA-N	1	1	368.481	2.221	20	30		FEEDMO
C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000515184648	561999583	/nfs/dbraw/zinc/99/95/83/561999583.db2.gz	ANCBVOIEPILKJI-LMSBXDPUSA-N	1	1	356.470	2.490	20	30		FEEDMO
C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000515184648	561999584	/nfs/dbraw/zinc/99/95/84/561999584.db2.gz	ANCBVOIEPILKJI-LMSBXDPUSA-N	1	1	356.470	2.490	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1	ZINC000368655603	556375219	/nfs/dbraw/zinc/37/52/19/556375219.db2.gz	MZUFQHQMVXPEMZ-KRWDZBQOSA-N	1	1	353.470	2.184	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)CCC#N)c1ccccc1	ZINC000368858594	556431138	/nfs/dbraw/zinc/43/11/38/556431138.db2.gz	HZRUHLUFJPHGCK-IBGZPJMESA-N	1	1	353.470	2.243	20	30		FEEDMO
Cc1nc(CO[C@@H]2CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)cs1	ZINC000368998697	556472404	/nfs/dbraw/zinc/47/24/04/556472404.db2.gz	BJSFVBGORLQORR-PKOBYXMFSA-N	1	1	373.478	2.354	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1	ZINC000369274013	556560194	/nfs/dbraw/zinc/56/01/94/556560194.db2.gz	LRRJZCXRXSTGKK-GOSISDBHSA-N	1	1	354.454	2.364	20	30		FEEDMO
CCC[C@H](NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccccc1	ZINC000369388129	556587617	/nfs/dbraw/zinc/58/76/17/556587617.db2.gz	FFOFFLNTYUQJNF-SFHVURJKSA-N	1	1	366.469	2.444	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000369662215	556662270	/nfs/dbraw/zinc/66/22/70/556662270.db2.gz	GOHBKXWOESVTOZ-JCHJZTRSSA-N	1	1	360.502	2.291	20	30		FEEDMO
N#Cc1ccc(-c2nnc(CN3CCC[N@H+](C4CCOCC4)CC3)o2)cc1	ZINC000369803420	556699475	/nfs/dbraw/zinc/69/94/75/556699475.db2.gz	LSOWCQIIWVFBJM-UHFFFAOYSA-N	1	1	367.453	2.295	20	30		FEEDMO
COC(=O)c1cccc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)c1C#N	ZINC000516526309	562046300	/nfs/dbraw/zinc/04/63/00/562046300.db2.gz	UWUWGUQERQFASP-OAHLLOKOSA-N	1	1	357.454	2.030	20	30		FEEDMO
CN1CCC[C@@]2(CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)C1=O	ZINC000370409027	556864723	/nfs/dbraw/zinc/86/47/23/556864723.db2.gz	AIDZJXIEKZXJIT-IBGZPJMESA-N	1	1	372.494	2.185	20	30		FEEDMO
C[N@@H+](CCOCc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000516874038	562062209	/nfs/dbraw/zinc/06/22/09/562062209.db2.gz	FJPQGLFFGGFDNO-HNNXBMFYSA-N	1	1	355.360	2.170	20	30		FEEDMO
CN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000370830052	556982701	/nfs/dbraw/zinc/98/27/01/556982701.db2.gz	KUGSSCXSXNQVMH-AQKVLALTSA-N	1	1	352.482	2.198	20	30		FEEDMO
CN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000370830052	556982706	/nfs/dbraw/zinc/98/27/06/556982706.db2.gz	KUGSSCXSXNQVMH-AQKVLALTSA-N	1	1	352.482	2.198	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)Nc2ccccc2)CC1	ZINC000371248652	557119194	/nfs/dbraw/zinc/11/91/94/557119194.db2.gz	DLUZBEMBVIIVMQ-INIZCTEOSA-N	1	1	356.470	2.000	20	30		FEEDMO
N#Cc1cccc([C@@H]2CN(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CCO2)c1	ZINC000371283707	557130715	/nfs/dbraw/zinc/13/07/15/557130715.db2.gz	LOXDJHZWJQMIAM-APWZRJJASA-N	1	1	354.454	2.125	20	30		FEEDMO
C[N@@H+](C[C@H]1CC12CCN(C(=O)C(=O)Nc1cccc(C#N)c1)CC2)C1CC1	ZINC000371311779	557141508	/nfs/dbraw/zinc/14/15/08/557141508.db2.gz	ZIRGOUYYWAKKES-MRXNPFEDSA-N	1	1	366.465	2.220	20	30		FEEDMO
COc1cc(C#N)ccc1C[NH+]1CCC(NC(=O)c2cc(C)on2)CC1	ZINC000371339394	557152346	/nfs/dbraw/zinc/15/23/46/557152346.db2.gz	QDIXGNVVIPWLDU-UHFFFAOYSA-N	1	1	354.410	2.258	20	30		FEEDMO
CN(c1snc(Cl)c1C#N)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000371404968	557175501	/nfs/dbraw/zinc/17/55/01/557175501.db2.gz	ASCXLSVYJXGPAS-UHFFFAOYSA-N	1	1	367.906	2.191	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000371450472	557189810	/nfs/dbraw/zinc/18/98/10/557189810.db2.gz	LQBASGQBZPAVSF-GXTWGEPZSA-N	1	1	370.375	2.314	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000371450472	557189814	/nfs/dbraw/zinc/18/98/14/557189814.db2.gz	LQBASGQBZPAVSF-GXTWGEPZSA-N	1	1	370.375	2.314	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000371470484	557191227	/nfs/dbraw/zinc/19/12/27/557191227.db2.gz	LTWGSNOIQNOATD-IIBYNOLFSA-N	1	1	370.416	2.113	20	30		FEEDMO
N#C[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000371470484	557191228	/nfs/dbraw/zinc/19/12/28/557191228.db2.gz	LTWGSNOIQNOATD-IIBYNOLFSA-N	1	1	370.416	2.113	20	30		FEEDMO
N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)cc2)c1N	ZINC000371596242	557234128	/nfs/dbraw/zinc/23/41/28/557234128.db2.gz	FNLFEXZDPXLJPQ-MRXNPFEDSA-N	1	1	364.453	2.073	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000372004038	557353903	/nfs/dbraw/zinc/35/39/03/557353903.db2.gz	MEMVJQJVSIJJBT-RTBURBONSA-N	1	1	372.469	2.032	20	30		FEEDMO
CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)NCc2ccc(C#N)cc2)C1	ZINC000372035836	557363168	/nfs/dbraw/zinc/36/31/68/557363168.db2.gz	DZJYCOOUXIMPSR-UHFFFAOYSA-N	1	1	362.433	2.191	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000372229489	557416339	/nfs/dbraw/zinc/41/63/39/557416339.db2.gz	VZZGXFJVZXLZGS-LXGCGDOSSA-N	1	1	351.381	2.205	20	30		FEEDMO
N#C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000372229489	557416340	/nfs/dbraw/zinc/41/63/40/557416340.db2.gz	VZZGXFJVZXLZGS-LXGCGDOSSA-N	1	1	351.381	2.205	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H]4CCCCCC[C@H]43)CC2)o1	ZINC000372585784	557513214	/nfs/dbraw/zinc/51/32/14/557513214.db2.gz	JVGFXTKFGRXRBD-SJLPKXTDSA-N	1	1	371.485	2.158	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](C)C1CCN(c2cccnn2)CC1	ZINC000372738429	557551009	/nfs/dbraw/zinc/55/10/09/557551009.db2.gz	IILJEANZDQQMLE-UHFFFAOYSA-N	1	1	367.453	2.336	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O	ZINC000372900027	557584773	/nfs/dbraw/zinc/58/47/73/557584773.db2.gz	AWBUUSGSFHTRRK-INOITIFUSA-N	1	1	374.529	2.250	20	30		FEEDMO
N#Cc1c(F)ccc(C[NH2+][C@H]2CCCN(c3ncc[nH]c3=O)C2)c1Cl	ZINC000373016937	557610639	/nfs/dbraw/zinc/61/06/39/557610639.db2.gz	YJCLAKJAVHCVLW-LBPRGKRZSA-N	1	1	361.808	2.193	20	30		FEEDMO
CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1	ZINC000373126334	557634133	/nfs/dbraw/zinc/63/41/33/557634133.db2.gz	UHVLJJQPYAQMLR-HNNXBMFYSA-N	1	1	359.455	2.032	20	30		FEEDMO
CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1	ZINC000373126334	557634135	/nfs/dbraw/zinc/63/41/35/557634135.db2.gz	UHVLJJQPYAQMLR-HNNXBMFYSA-N	1	1	359.455	2.032	20	30		FEEDMO
C=CCNC(=O)CNC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1	ZINC000373185737	557646298	/nfs/dbraw/zinc/64/62/98/557646298.db2.gz	LBHYPORCVPXYRZ-RBUKOAKNSA-N	1	1	370.497	2.127	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccccc3F)C2)CC1	ZINC000520201116	562150410	/nfs/dbraw/zinc/15/04/10/562150410.db2.gz	YGXMZSPCNUHFKD-YLJYHZDGSA-N	1	1	372.488	2.307	20	30		FEEDMO
Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1C	ZINC000373403773	557687716	/nfs/dbraw/zinc/68/77/16/557687716.db2.gz	IZSHVWUXHQTILZ-MRXNPFEDSA-N	1	1	366.469	2.281	20	30		FEEDMO
CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000520443634	562156626	/nfs/dbraw/zinc/15/66/26/562156626.db2.gz	NMQATNJHCXDEJB-UHFFFAOYSA-N	1	1	353.463	2.438	20	30		FEEDMO
C[C@@H](CO)[N@H+]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1	ZINC000373734101	557747813	/nfs/dbraw/zinc/74/78/13/557747813.db2.gz	PXAJJARBKWHVLG-SFHVURJKSA-N	1	1	367.497	2.352	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(OCC4CC4)CC3)C2=O)cc1	ZINC000374133958	557829211	/nfs/dbraw/zinc/82/92/11/557829211.db2.gz	YFUVYMXBNKLFPU-SFHVURJKSA-N	1	1	353.422	2.081	20	30		FEEDMO
Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1C#N	ZINC000374134872	557829456	/nfs/dbraw/zinc/82/94/56/557829456.db2.gz	ATAWHGQWLQIVEH-VQIMIIECSA-N	1	1	351.454	2.413	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(C(=O)NCCc2cccc(C#N)c2)CC1	ZINC000374272887	557856105	/nfs/dbraw/zinc/85/61/05/557856105.db2.gz	KETPVPLZVSGOMI-UHFFFAOYSA-N	1	1	351.454	2.499	20	30		FEEDMO
CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000374333347	557867197	/nfs/dbraw/zinc/86/71/97/557867197.db2.gz	UOUFMUSSMUUXPQ-RRMPHLOHSA-N	1	1	366.465	2.121	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000374390122	557877488	/nfs/dbraw/zinc/87/74/88/557877488.db2.gz	OCFOUGJKSKFBNR-INIZCTEOSA-N	1	1	366.469	2.490	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H]([C@H]2CCOC2)C1	ZINC000374403779	557879624	/nfs/dbraw/zinc/87/96/24/557879624.db2.gz	VSGUJEAWLGSAOE-HOTGVXAUSA-N	1	1	365.437	2.041	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)CCCCC1	ZINC000374553273	557899071	/nfs/dbraw/zinc/89/90/71/557899071.db2.gz	XTJSJILLTJQKAG-MRXNPFEDSA-N	1	1	372.469	2.064	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)CCCCC1	ZINC000374553273	557899073	/nfs/dbraw/zinc/89/90/73/557899073.db2.gz	XTJSJILLTJQKAG-MRXNPFEDSA-N	1	1	372.469	2.064	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1	ZINC000374618682	557907509	/nfs/dbraw/zinc/90/75/09/557907509.db2.gz	MJINAAXKIHDUTG-HUUCEWRRSA-N	1	1	374.489	2.046	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1	ZINC000374618682	557907511	/nfs/dbraw/zinc/90/75/11/557907511.db2.gz	MJINAAXKIHDUTG-HUUCEWRRSA-N	1	1	374.489	2.046	20	30		FEEDMO
C#CC(C)(C)[N@H+](C)CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1	ZINC000375675350	558065794	/nfs/dbraw/zinc/06/57/94/558065794.db2.gz	LUTOHBNFTJPZNS-UHFFFAOYSA-N	1	1	355.482	2.059	20	30		FEEDMO
C#CC(C)(C)[N@@H+](C)CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1	ZINC000375675350	558065796	/nfs/dbraw/zinc/06/57/96/558065796.db2.gz	LUTOHBNFTJPZNS-UHFFFAOYSA-N	1	1	355.482	2.059	20	30		FEEDMO
CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000375790753	558079916	/nfs/dbraw/zinc/07/99/16/558079916.db2.gz	LDQNXYIMJGCBHM-OALUTQOASA-N	1	1	368.481	2.040	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)n1	ZINC000375920781	558099947	/nfs/dbraw/zinc/09/99/47/558099947.db2.gz	OMOZVMJHFPJWNM-MRXNPFEDSA-N	1	1	370.844	2.246	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1	ZINC000376046309	558118730	/nfs/dbraw/zinc/11/87/30/558118730.db2.gz	ISCMDGMKNWJCHQ-RTBURBONSA-N	1	1	360.502	2.309	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1	ZINC000376046309	558118731	/nfs/dbraw/zinc/11/87/31/558118731.db2.gz	ISCMDGMKNWJCHQ-RTBURBONSA-N	1	1	360.502	2.309	20	30		FEEDMO
N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000376191670	558138858	/nfs/dbraw/zinc/13/88/58/558138858.db2.gz	ZGJUALGZBOMYAY-NWDGAFQWSA-N	1	1	362.355	2.221	20	30		FEEDMO
Cc1cc(=NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)[nH]n1CCC#N	ZINC000376402934	558168885	/nfs/dbraw/zinc/16/88/85/558168885.db2.gz	WQSAFAFQHRITOR-WMZOPIPTSA-N	1	1	370.432	2.811	20	30		FEEDMO
Cc1cc(=NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)[nH]n1CCC#N	ZINC000376402934	558168886	/nfs/dbraw/zinc/16/88/86/558168886.db2.gz	WQSAFAFQHRITOR-WMZOPIPTSA-N	1	1	370.432	2.811	20	30		FEEDMO
Cn1cc([C@@H]2[C@@H](CNC(=O)NCC(C)(C)CCC#N)CCC[N@H+]2C)cn1	ZINC000376672402	558206195	/nfs/dbraw/zinc/20/61/95/558206195.db2.gz	MOGHNDKKDZVHBS-WBVHZDCISA-N	1	1	360.506	2.432	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c(F)c1	ZINC000377166382	558280243	/nfs/dbraw/zinc/28/02/43/558280243.db2.gz	ZOUAJNNOOCJSCG-GVDBMIGSSA-N	1	1	356.445	2.267	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1	ZINC000377256197	558299846	/nfs/dbraw/zinc/29/98/46/558299846.db2.gz	RIQYUXGOBVNMLZ-IBGZPJMESA-N	1	1	357.498	2.109	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1	ZINC000377524753	558357267	/nfs/dbraw/zinc/35/72/67/558357267.db2.gz	UVGACBDFHSGLKK-QGZVFWFLSA-N	1	1	357.454	2.277	20	30		FEEDMO
CN1CCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C#N	ZINC000378112452	558483855	/nfs/dbraw/zinc/48/38/55/558483855.db2.gz	VIDAPSKOHDVSAF-UXHICEINSA-N	1	1	369.513	2.138	20	30		FEEDMO
CCc1nc(CN2CCC[C@H]([N@@H+](C)C[C@@H](O)c3ccc(C#N)cc3)C2)no1	ZINC000378142238	558490116	/nfs/dbraw/zinc/49/01/16/558490116.db2.gz	LTLVYFOLRPAXBZ-ZWKOTPCHSA-N	1	1	369.469	2.133	20	30		FEEDMO
N#Cc1cccc([C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)CCO2)c1	ZINC000378298563	558522804	/nfs/dbraw/zinc/52/28/04/558522804.db2.gz	GVQQUGQTEUEYPC-UXHICEINSA-N	1	1	369.465	2.102	20	30		FEEDMO
C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000523467147	562213733	/nfs/dbraw/zinc/21/37/33/562213733.db2.gz	LWJPRFRVOUSIOK-OAGGEKHMSA-N	1	1	359.470	2.315	20	30		FEEDMO
C=CC[C@@H](C)NC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000523467147	562213734	/nfs/dbraw/zinc/21/37/34/562213734.db2.gz	LWJPRFRVOUSIOK-OAGGEKHMSA-N	1	1	359.470	2.315	20	30		FEEDMO
Cc1nccn1-c1cncc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000378417776	558552414	/nfs/dbraw/zinc/55/24/14/558552414.db2.gz	WGHYVGUEEVKZAV-UHFFFAOYSA-N	1	1	359.437	2.165	20	30		FEEDMO
Cc1cc(=NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)[nH]n1CCC#N	ZINC000378513449	558573195	/nfs/dbraw/zinc/57/31/95/558573195.db2.gz	SKRYUEMEQIGEBY-WMLDXEAASA-N	1	1	372.498	2.981	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)cc1	ZINC000378645426	558599845	/nfs/dbraw/zinc/59/98/45/558599845.db2.gz	BDUDAHMZXQFZMU-LJQANCHMSA-N	1	1	353.397	2.467	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)cc1	ZINC000378645426	558599847	/nfs/dbraw/zinc/59/98/47/558599847.db2.gz	BDUDAHMZXQFZMU-LJQANCHMSA-N	1	1	353.397	2.467	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1ccc(C#N)cc1	ZINC000389879673	558609764	/nfs/dbraw/zinc/60/97/64/558609764.db2.gz	NMZWXXXQYGBVLV-UZLBHIALSA-N	1	1	369.490	2.498	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1	ZINC000409479245	558695655	/nfs/dbraw/zinc/69/56/55/558695655.db2.gz	PTZZITIQJHBRHD-JKSUJKDBSA-N	1	1	370.906	2.155	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1	ZINC000409479245	558695657	/nfs/dbraw/zinc/69/56/57/558695657.db2.gz	PTZZITIQJHBRHD-JKSUJKDBSA-N	1	1	370.906	2.155	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000409496828	558697851	/nfs/dbraw/zinc/69/78/51/558697851.db2.gz	YUXWOCCBAMGZET-SJLPKXTDSA-N	1	1	364.515	2.109	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000410131582	558740683	/nfs/dbraw/zinc/74/06/83/558740683.db2.gz	SDPIQAQYLNRORX-ZBFHGGJFSA-N	1	1	370.544	2.201	20	30		FEEDMO
CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)N(CC)C[C@H](C)C#N)C1	ZINC000410130632	558740696	/nfs/dbraw/zinc/74/06/96/558740696.db2.gz	MTTUMODGUQBYGU-CVEARBPZSA-N	1	1	358.552	2.203	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1	ZINC000410362473	558753027	/nfs/dbraw/zinc/75/30/27/558753027.db2.gz	YIRWGRHVRNESNP-AWEZNQCLSA-N	1	1	373.482	2.099	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1	ZINC000410685794	558798732	/nfs/dbraw/zinc/79/87/32/558798732.db2.gz	DYEMVUAJUJRDTP-UXHICEINSA-N	1	1	369.509	2.392	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000410870915	558818300	/nfs/dbraw/zinc/81/83/00/558818300.db2.gz	JKAIKESLVJPDCM-LJQANCHMSA-N	1	1	357.498	2.392	20	30		FEEDMO
CC[N@@H+](CCC1CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC1)CC(C)C	ZINC000410915212	558823117	/nfs/dbraw/zinc/82/31/17/558823117.db2.gz	MNGYOLIXEYEULX-QGZVFWFLSA-N	1	1	364.534	2.211	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N1CC[NH+](CC)CC1	ZINC000411191100	558851229	/nfs/dbraw/zinc/85/12/29/558851229.db2.gz	IJBZOTUZIAMPGA-MRXNPFEDSA-N	1	1	360.458	2.135	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@@H]1C	ZINC000525395898	562247316	/nfs/dbraw/zinc/24/73/16/562247316.db2.gz	IKZUKKDIYKAWBV-KSSFIOAISA-N	1	1	366.469	2.271	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)[C@@H](C(N)=O)c1ccc(Br)cc1	ZINC000411635118	558932790	/nfs/dbraw/zinc/93/27/90/558932790.db2.gz	AWXLFEKSZWVDCZ-OAHLLOKOSA-N	1	1	354.292	2.415	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1	ZINC000526059191	562265625	/nfs/dbraw/zinc/26/56/25/562265625.db2.gz	OUCVACZKOONQQJ-INIZCTEOSA-N	1	1	358.461	2.284	20	30		FEEDMO
C=CCn1c(=O)c2ccsc2nc1SCC[N@H+]1CCCOCC1	ZINC000412976107	559068668	/nfs/dbraw/zinc/06/86/68/559068668.db2.gz	HIVNFKQCXGVYLP-UHFFFAOYSA-N	1	1	351.497	2.458	20	30		FEEDMO
C[C@H](C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[NH+]1CCSCC1	ZINC000526122004	562267467	/nfs/dbraw/zinc/26/74/67/562267467.db2.gz	SXYQJWRUWJJAGF-ODIFPOPNSA-N	1	1	374.510	2.197	20	30		FEEDMO
Cc1cc(NS(=O)(=O)c2ccc(C#N)nc2)ccc1OCC[NH+](C)C	ZINC000414387334	559160451	/nfs/dbraw/zinc/16/04/51/559160451.db2.gz	IVSJZPWPSGMPLB-UHFFFAOYSA-N	1	1	360.439	2.003	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[N@@H+]3CC=CCC3)C2)c(F)c1	ZINC000527231311	562281400	/nfs/dbraw/zinc/28/14/00/562281400.db2.gz	RPCOEVKNTMHJLL-KRWDZBQOSA-N	1	1	371.460	2.227	20	30		FEEDMO
COc1ccccc1[C@@H](CNS(=O)(=O)[C@H](C)C#N)[NH+]1CCCCC1	ZINC000416368442	559307884	/nfs/dbraw/zinc/30/78/84/559307884.db2.gz	HMCDGLMDYLPIKP-GDBMZVCRSA-N	1	1	351.472	2.054	20	30		FEEDMO
C=CCc1cc(CNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc(OC)c1OC	ZINC000417392191	559360616	/nfs/dbraw/zinc/36/06/16/559360616.db2.gz	SLUDQNAKPWJANI-LJQANCHMSA-N	1	1	365.449	2.275	20	30		FEEDMO
C=C(C)Cn1c(-c2ncccn2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000417489232	559364161	/nfs/dbraw/zinc/36/41/61/559364161.db2.gz	BBYGWNIBZJOTLL-INIZCTEOSA-N	1	1	355.490	2.479	20	30		FEEDMO
COc1ccc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1OCCCC#N	ZINC000418123744	559391067	/nfs/dbraw/zinc/39/10/67/559391067.db2.gz	YPNUTKONAKRMAN-IRXDYDNUSA-N	1	1	361.486	2.265	20	30		FEEDMO
C[C@H](CCCC[NH3+])NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000418686855	559411170	/nfs/dbraw/zinc/41/11/70/559411170.db2.gz	CSQXAESKWBUVQV-QGZVFWFLSA-N	1	1	357.502	2.293	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C	ZINC000419317522	559436654	/nfs/dbraw/zinc/43/66/54/559436654.db2.gz	AJOBMCHBBDNSCT-CVEARBPZSA-N	1	1	363.527	2.290	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000419623847	559450311	/nfs/dbraw/zinc/45/03/11/559450311.db2.gz	UUGMGYJTLPXBAW-FQEVSTJZSA-N	1	1	371.529	2.461	20	30		FEEDMO
CN(CCCN(C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21)CC[NH+](C)C	ZINC000419623847	559450312	/nfs/dbraw/zinc/45/03/12/559450312.db2.gz	UUGMGYJTLPXBAW-FQEVSTJZSA-N	1	1	371.529	2.461	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCN(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000419623849	559450323	/nfs/dbraw/zinc/45/03/23/559450323.db2.gz	UUGMGYJTLPXBAW-HXUWFJFHSA-N	1	1	371.529	2.461	20	30		FEEDMO
CN(CCCN(C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21)CC[NH+](C)C	ZINC000419623849	559450324	/nfs/dbraw/zinc/45/03/24/559450324.db2.gz	UUGMGYJTLPXBAW-HXUWFJFHSA-N	1	1	371.529	2.461	20	30		FEEDMO
CNC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	ZINC000420976570	559516153	/nfs/dbraw/zinc/51/61/53/559516153.db2.gz	PKZDKDBBVZUHGR-KGLIPLIRSA-N	1	1	360.483	2.087	20	30		FEEDMO
CNC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	ZINC000420976570	559516154	/nfs/dbraw/zinc/51/61/54/559516154.db2.gz	PKZDKDBBVZUHGR-KGLIPLIRSA-N	1	1	360.483	2.087	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N(C)CC[N@@H+](C)C2CC2)c(C#N)cn1CC	ZINC000421171171	559528454	/nfs/dbraw/zinc/52/84/54/559528454.db2.gz	GKQWKGUXTSRUDQ-UHFFFAOYSA-N	1	1	361.446	2.114	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c(C#N)cn1CC	ZINC000421173674	559528764	/nfs/dbraw/zinc/52/87/64/559528764.db2.gz	MCXSNBCQAZEFJQ-OCCSQVGLSA-N	1	1	361.446	2.161	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCCC[N@@H+](C)C1CC1	ZINC000422455132	559589367	/nfs/dbraw/zinc/58/93/67/559589367.db2.gz	NMKSYJZVQBMBRZ-UHFFFAOYSA-N	1	1	370.497	2.286	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1	ZINC000527298833	562284425	/nfs/dbraw/zinc/28/44/25/562284425.db2.gz	ZZBNVDHZGVLDRF-OAHLLOKOSA-N	1	1	359.445	2.146	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[NH+](CCOC)CC1	ZINC000424257855	559659546	/nfs/dbraw/zinc/65/95/46/559659546.db2.gz	WQQNAJBKPGXGID-HNNXBMFYSA-N	1	1	351.520	2.191	20	30		FEEDMO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1	ZINC000424710866	559674321	/nfs/dbraw/zinc/67/43/21/559674321.db2.gz	VCEXROYOFJCZJY-AEFFLSMTSA-N	1	1	353.470	2.495	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000425386691	559699353	/nfs/dbraw/zinc/69/93/53/559699353.db2.gz	POYVCMCKIOUUPY-FUHWJXTLSA-N	1	1	370.497	2.268	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000425410940	559700760	/nfs/dbraw/zinc/70/07/60/559700760.db2.gz	XSMSNGMDUKAHSO-BJLQDIEVSA-N	1	1	372.513	2.087	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH+]1CCC(c2nc3c(s2)CCCC3)CC1	ZINC000425503461	559706226	/nfs/dbraw/zinc/70/62/26/559706226.db2.gz	JAMVPEACLBNLKP-UHFFFAOYSA-N	1	1	362.499	2.213	20	30		FEEDMO
C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000425503221	559706299	/nfs/dbraw/zinc/70/62/99/559706299.db2.gz	RPAYQMDEQDPNLC-IRXDYDNUSA-N	1	1	357.502	2.287	20	30		FEEDMO
C[C@@H]1C[C@H]1[N@H+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)C1	ZINC000429019584	559788778	/nfs/dbraw/zinc/78/87/78/559788778.db2.gz	JNKUVQHNZFLHMN-XNFNUYLZSA-N	1	1	352.482	2.326	20	30		FEEDMO
C[N@H+](CCCNC(=O)C1CCC1)CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000429542901	559800774	/nfs/dbraw/zinc/80/07/74/559800774.db2.gz	RSNSFYUCWDHRNR-UHFFFAOYSA-N	1	1	362.861	2.388	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C1CCC1)CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000429542901	559800775	/nfs/dbraw/zinc/80/07/75/559800775.db2.gz	RSNSFYUCWDHRNR-UHFFFAOYSA-N	1	1	362.861	2.388	20	30		FEEDMO
C[C@@H]1CC[C@@H]([N@@H+](CCO)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000429773989	559805361	/nfs/dbraw/zinc/80/53/61/559805361.db2.gz	SAFLQQHEOBJAPG-CRAIPNDOSA-N	1	1	367.453	2.165	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)c2ccc(C#N)o2)[C@H](c2ccccc2)C1	ZINC000429855652	559807270	/nfs/dbraw/zinc/80/72/70/559807270.db2.gz	DJBMVRRGQQAQEA-SFHVURJKSA-N	1	1	352.438	2.260	20	30		FEEDMO
CN1CC[N@H+](CCCNC(=O)c2ccc(C#N)o2)[C@H](c2ccccc2)C1	ZINC000429855652	559807271	/nfs/dbraw/zinc/80/72/71/559807271.db2.gz	DJBMVRRGQQAQEA-SFHVURJKSA-N	1	1	352.438	2.260	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)c2ccc(C#N)o2)[C@H](c2ccccc2)C1	ZINC000429855652	559807272	/nfs/dbraw/zinc/80/72/72/559807272.db2.gz	DJBMVRRGQQAQEA-SFHVURJKSA-N	1	1	352.438	2.260	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000433062015	559870928	/nfs/dbraw/zinc/87/09/28/559870928.db2.gz	RKTLCUFOJXFRIS-CQSZACIVSA-N	1	1	359.451	2.277	20	30		FEEDMO
C[C@H](C[NH+]1CCOCC1)N(C)Cc1cc(C#N)ccc1Br	ZINC000434705262	559906852	/nfs/dbraw/zinc/90/68/52/559906852.db2.gz	IACVECLKVYSYOB-CYBMUJFWSA-N	1	1	352.276	2.473	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c(F)c1	ZINC000434778279	559909182	/nfs/dbraw/zinc/90/91/82/559909182.db2.gz	WIBRXKZPRKKTQD-INIZCTEOSA-N	1	1	351.447	2.134	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1C	ZINC000434983830	559913725	/nfs/dbraw/zinc/91/37/25/559913725.db2.gz	UKAUQTZBRXKIEQ-WMLDXEAASA-N	1	1	353.426	2.242	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000440042681	560003659	/nfs/dbraw/zinc/00/36/59/560003659.db2.gz	BHBDSSDQMLVNNJ-GASCZTMLSA-N	1	1	367.490	2.485	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000440043667	560003663	/nfs/dbraw/zinc/00/36/63/560003663.db2.gz	NKDUNXAQDRHNJV-ZNMIVQPWSA-N	1	1	367.490	2.483	20	30		FEEDMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@@H]1C	ZINC000441088755	560023438	/nfs/dbraw/zinc/02/34/38/560023438.db2.gz	QSAHWHCEUDEPIS-GJZGRUSLSA-N	1	1	372.469	2.225	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@@H]1C	ZINC000441088755	560023439	/nfs/dbraw/zinc/02/34/39/560023439.db2.gz	QSAHWHCEUDEPIS-GJZGRUSLSA-N	1	1	372.469	2.225	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000443357937	560081880	/nfs/dbraw/zinc/08/18/80/560081880.db2.gz	FOBMNRIMZAKIFE-HZSPNIEDSA-N	1	1	353.463	2.342	20	30		FEEDMO
Cc1cc(C)cc(C[N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1	ZINC000444700983	560118362	/nfs/dbraw/zinc/11/83/62/560118362.db2.gz	GWVUJKGMECKLRD-HXUWFJFHSA-N	1	1	356.514	2.428	20	30		FEEDMO
Cc1cc(C)cc(C[N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1	ZINC000444700983	560118363	/nfs/dbraw/zinc/11/83/63/560118363.db2.gz	GWVUJKGMECKLRD-HXUWFJFHSA-N	1	1	356.514	2.428	20	30		FEEDMO
C=CC[C@@H]1N(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCCC1(C)C	ZINC000445153250	560129976	/nfs/dbraw/zinc/12/99/76/560129976.db2.gz	SOAQNYLZEILHEF-IRXDYDNUSA-N	1	1	364.534	2.350	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1	ZINC000447820799	560170107	/nfs/dbraw/zinc/17/01/07/560170107.db2.gz	HZLVANMKAHRTAE-IEBWSBKVSA-N	1	1	361.482	2.425	20	30		FEEDMO
C=CCCCNC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000448005818	560175742	/nfs/dbraw/zinc/17/57/42/560175742.db2.gz	ASNSGUSVEFYWNF-UHFFFAOYSA-N	1	1	358.486	2.481	20	30		FEEDMO
C[C@@H]1C[C@]1(C#N)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000448892541	560205089	/nfs/dbraw/zinc/20/50/89/560205089.db2.gz	CSLSHBVAWLDJGZ-IIBYNOLFSA-N	1	1	371.481	2.342	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C#N)c1Br	ZINC000448905675	560205761	/nfs/dbraw/zinc/20/57/61/560205761.db2.gz	ABWZQNIDVHXXLU-CYBMUJFWSA-N	1	1	366.259	2.161	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1	ZINC000448939225	560208033	/nfs/dbraw/zinc/20/80/33/560208033.db2.gz	BHJMCLMUIFQTLW-OAHLLOKOSA-N	1	1	374.872	2.119	20	30		FEEDMO
CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000449745992	560238710	/nfs/dbraw/zinc/23/87/10/560238710.db2.gz	PPLPZVMJPBCLPS-SFHVURJKSA-N	1	1	366.469	2.194	20	30		FEEDMO
CC[N@H+]1CC[C@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000449792285	560240025	/nfs/dbraw/zinc/24/00/25/560240025.db2.gz	WFRIBRXCWPKODI-GFCCVEGCSA-N	1	1	366.259	2.158	20	30		FEEDMO
CN(C(=O)c1ccc(C#N)n1C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000450229055	560254710	/nfs/dbraw/zinc/25/47/10/560254710.db2.gz	WDDPLFBOSKVOCN-OALUTQOASA-N	1	1	371.529	2.306	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000450351551	560259477	/nfs/dbraw/zinc/25/94/77/560259477.db2.gz	VJYNITFSEUGVHU-NFAWXSAZSA-N	1	1	374.872	2.116	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3nccc(C)c3C#N)C2)CC1	ZINC000450763647	560272600	/nfs/dbraw/zinc/27/26/00/560272600.db2.gz	BLGFQVFLNRPKPG-SFHVURJKSA-N	1	1	355.486	2.032	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)[N@H+]1CCCC[C@H]1C	ZINC000451046872	560284480	/nfs/dbraw/zinc/28/44/80/560284480.db2.gz	AFJSHYWHXVGVJZ-ZIAGYGMSSA-N	1	1	353.463	2.380	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@H](C)C1	ZINC000451678784	560321492	/nfs/dbraw/zinc/32/14/92/560321492.db2.gz	NRBIYVODYJRFSZ-UKRRQHHQSA-N	1	1	374.872	2.117	20	30		FEEDMO
CC(C)OCCOC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000451952838	560340349	/nfs/dbraw/zinc/34/03/49/560340349.db2.gz	HLYMKGULLWYNGT-UHFFFAOYSA-N	1	1	351.491	2.235	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1ccccc1	ZINC000451999257	560344220	/nfs/dbraw/zinc/34/42/20/560344220.db2.gz	CJWKGXYMLAITAV-RTBURBONSA-N	1	1	363.417	2.385	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1ccccc1	ZINC000451999257	560344221	/nfs/dbraw/zinc/34/42/21/560344221.db2.gz	CJWKGXYMLAITAV-RTBURBONSA-N	1	1	363.417	2.385	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H](C)[N@@H+]1C	ZINC000452152328	560353809	/nfs/dbraw/zinc/35/38/09/560353809.db2.gz	MZNWNFQFPVIYGT-GUTXKFCHSA-N	1	1	374.872	2.116	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H](C)[N@@H+]1C	ZINC000452152330	560353876	/nfs/dbraw/zinc/35/38/76/560353876.db2.gz	MZNWNFQFPVIYGT-VNHYZAJKSA-N	1	1	374.872	2.116	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1C#N	ZINC000452779224	560373694	/nfs/dbraw/zinc/37/36/94/560373694.db2.gz	FROCCNZROXJQRK-AWEZNQCLSA-N	1	1	374.510	2.129	20	30		FEEDMO
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1	ZINC000453465847	560387448	/nfs/dbraw/zinc/38/74/48/560387448.db2.gz	NJEAQPJDXXCNNG-DLBZAZTESA-N	1	1	363.506	2.253	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[N@H+]1C1CC1	ZINC000453681427	560396315	/nfs/dbraw/zinc/39/63/15/560396315.db2.gz	UYCIBLPBBKJVJV-YPMHNXCESA-N	1	1	360.845	2.086	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCC[N@H+]1C	ZINC000453698900	560397725	/nfs/dbraw/zinc/39/77/25/560397725.db2.gz	JRKUPMYIXWUQHO-CJNGLKHVSA-N	1	1	372.469	2.273	20	30		FEEDMO
C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+]1C	ZINC000453713415	560398967	/nfs/dbraw/zinc/39/89/67/560398967.db2.gz	IFBARBBEZMUTEX-JSGCOSHPSA-N	1	1	362.861	2.286	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453714848	560399044	/nfs/dbraw/zinc/39/90/44/560399044.db2.gz	QSHFJLRXDZKOON-HUUCEWRRSA-N	1	1	374.872	2.430	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1	ZINC000453767087	560402778	/nfs/dbraw/zinc/40/27/78/560402778.db2.gz	SBWVONVZCVGKRV-HNNXBMFYSA-N	1	1	354.454	2.138	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000453933944	560414410	/nfs/dbraw/zinc/41/44/10/560414410.db2.gz	LRBDKJPQRALEHB-LZQZEXGQSA-N	1	1	371.481	2.317	20	30		FEEDMO
CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000454110145	560430073	/nfs/dbraw/zinc/43/00/73/560430073.db2.gz	UERLAVQBZYYLNG-CQSZACIVSA-N	1	1	362.861	2.286	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1	ZINC000454116817	560430650	/nfs/dbraw/zinc/43/06/50/560430650.db2.gz	XUAPVABQJOSESC-MRXNPFEDSA-N	1	1	372.469	2.225	20	30		FEEDMO
C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000454771827	560457691	/nfs/dbraw/zinc/45/76/91/560457691.db2.gz	NFKWSZBZRNADOZ-QGZVFWFLSA-N	1	1	364.449	2.012	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000454771827	560457692	/nfs/dbraw/zinc/45/76/92/560457692.db2.gz	NFKWSZBZRNADOZ-QGZVFWFLSA-N	1	1	364.449	2.012	20	30		FEEDMO
C[N@@H+](CCCCNC(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CC1	ZINC000455133481	560471400	/nfs/dbraw/zinc/47/14/00/560471400.db2.gz	DFSYUZZGCJPIMI-UHFFFAOYSA-N	1	1	353.430	2.135	20	30		FEEDMO
C[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)CN1CC[NH+](C)CC1	ZINC000455698235	560492131	/nfs/dbraw/zinc/49/21/31/560492131.db2.gz	FSMBBUNRHHHCDS-CQSZACIVSA-N	1	1	363.893	2.411	20	30		FEEDMO
N#CCc1ccc(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c(Cl)c1	ZINC000455735271	560493248	/nfs/dbraw/zinc/49/32/48/560493248.db2.gz	QGNVHDRCOZMCDD-AWEZNQCLSA-N	1	1	350.850	2.374	20	30		FEEDMO
N#CCc1ccc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(Cl)c1	ZINC000455735238	560493259	/nfs/dbraw/zinc/49/32/59/560493259.db2.gz	QEVAYKKBMRQOFJ-CQSZACIVSA-N	1	1	350.850	2.374	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)[NH+]1CCOCC1	ZINC000455748885	560493746	/nfs/dbraw/zinc/49/37/46/560493746.db2.gz	DYOZZMAJSHDGOJ-AWEZNQCLSA-N	1	1	365.865	2.475	20	30		FEEDMO
C=CCC[C@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C(=O)OCC	ZINC000456631650	560526484	/nfs/dbraw/zinc/52/64/84/560526484.db2.gz	SNKWDZUYESMUMX-IBGZPJMESA-N	1	1	373.497	2.062	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000457495414	560570596	/nfs/dbraw/zinc/57/05/96/560570596.db2.gz	CHMKGNGQTGAXLF-PMACEKPBSA-N	1	1	372.513	2.081	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000457740997	560585250	/nfs/dbraw/zinc/58/52/50/560585250.db2.gz	TTZPSBGZCSTBPR-UHFFFAOYSA-N	1	1	361.465	2.187	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N(C)CC(C)(C)C#N)C2)cc(OC)c1	ZINC000458523303	560629702	/nfs/dbraw/zinc/62/97/02/560629702.db2.gz	IBKBXVAJRFQXJL-MRXNPFEDSA-N	1	1	374.485	2.469	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)N(C)CC(C)(C)C#N)C2)cc(OC)c1	ZINC000458523303	560629703	/nfs/dbraw/zinc/62/97/03/560629703.db2.gz	IBKBXVAJRFQXJL-MRXNPFEDSA-N	1	1	374.485	2.469	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N(C)CC(C)(C)C#N)C2)cc(OC)c1	ZINC000458523293	560629759	/nfs/dbraw/zinc/62/97/59/560629759.db2.gz	IBKBXVAJRFQXJL-INIZCTEOSA-N	1	1	374.485	2.469	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N(C)CC(C)(C)C#N)C2)cc(OC)c1	ZINC000458523293	560629761	/nfs/dbraw/zinc/62/97/61/560629761.db2.gz	IBKBXVAJRFQXJL-INIZCTEOSA-N	1	1	374.485	2.469	20	30		FEEDMO
C[N@@H+](CCCCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CC1	ZINC000459174376	560672368	/nfs/dbraw/zinc/67/23/68/560672368.db2.gz	ZXKWYNUOGOAPGB-HXUWFJFHSA-N	1	1	369.513	2.280	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000459641993	560699466	/nfs/dbraw/zinc/69/94/66/560699466.db2.gz	MSCBDWQTWNSNIZ-KGLIPLIRSA-N	1	1	361.408	2.428	20	30		FEEDMO
CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000460133685	560735945	/nfs/dbraw/zinc/73/59/45/560735945.db2.gz	YUTYTYJBWRFOLK-MOPGFXCFSA-N	1	1	356.470	2.343	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1	ZINC000460379400	560742677	/nfs/dbraw/zinc/74/26/77/560742677.db2.gz	HQOXRJUAJQHBOB-JKSUJKDBSA-N	1	1	362.522	2.301	20	30		FEEDMO
C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000460768341	560751330	/nfs/dbraw/zinc/75/13/30/560751330.db2.gz	KYNSOEZIIMOWRQ-NVXWUHKLSA-N	1	1	363.506	2.251	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1C	ZINC000462078781	560795638	/nfs/dbraw/zinc/79/56/38/560795638.db2.gz	AODWOBIRCZMTME-KBPBESRZSA-N	1	1	353.430	2.085	20	30		FEEDMO
COC(=O)C[C@]1([NH2+]Cc2ccc(C#N)cc2Br)CCOC1	ZINC000464626552	560847287	/nfs/dbraw/zinc/84/72/87/560847287.db2.gz	VERXEVROXJPJRT-OAHLLOKOSA-N	1	1	353.216	2.133	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000467022143	560901771	/nfs/dbraw/zinc/90/17/71/560901771.db2.gz	HCFSLQYJDLFONU-APWZRJJASA-N	1	1	368.481	2.312	20	30		FEEDMO
C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000467130303	560904348	/nfs/dbraw/zinc/90/43/48/560904348.db2.gz	GKDIXXZGZZZWTL-CHWSQXEVSA-N	1	1	371.453	2.483	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1	ZINC000468509173	560931841	/nfs/dbraw/zinc/93/18/41/560931841.db2.gz	BCFZVZWUVANVAA-KRWDZBQOSA-N	1	1	368.437	2.300	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1cn(CCCC#N)c2ccccc12	ZINC000469367725	560953378	/nfs/dbraw/zinc/95/33/78/560953378.db2.gz	QEZAYDUFCWWUCW-KRWDZBQOSA-N	1	1	367.497	2.311	20	30		FEEDMO
CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H](C)C(=O)NC1(C#N)CCC1	ZINC000469598810	560959173	/nfs/dbraw/zinc/95/91/73/560959173.db2.gz	MNWIJOGAMIXGSC-OAHLLOKOSA-N	1	1	356.470	2.161	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)[C@@H]1C	ZINC000469999839	560971399	/nfs/dbraw/zinc/97/13/99/560971399.db2.gz	ODWWZLGPGDMKDB-OWCLPIDISA-N	1	1	373.453	2.214	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)[C@@H]1C	ZINC000469999839	560971400	/nfs/dbraw/zinc/97/14/00/560971400.db2.gz	ODWWZLGPGDMKDB-OWCLPIDISA-N	1	1	373.453	2.214	20	30		FEEDMO
C=CCOCCC[N@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1	ZINC000470757127	560988934	/nfs/dbraw/zinc/98/89/34/560988934.db2.gz	RBKDNKUMLRUYGT-SFHVURJKSA-N	1	1	364.511	2.436	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1	ZINC000471065888	560997455	/nfs/dbraw/zinc/99/74/55/560997455.db2.gz	KUBMOOQCRDPLJY-OALUTQOASA-N	1	1	370.497	2.257	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1	ZINC000471065888	560997456	/nfs/dbraw/zinc/99/74/56/560997456.db2.gz	KUBMOOQCRDPLJY-OALUTQOASA-N	1	1	370.497	2.257	20	30		FEEDMO
C=CCC[C@H](O)C[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000472749547	561034415	/nfs/dbraw/zinc/03/44/15/561034415.db2.gz	LACWKJWNEAEOPN-IRXDYDNUSA-N	1	1	353.484	2.011	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000472749547	561034416	/nfs/dbraw/zinc/03/44/16/561034416.db2.gz	LACWKJWNEAEOPN-IRXDYDNUSA-N	1	1	353.484	2.011	20	30		FEEDMO
N#CC1(CS(=O)(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCC1	ZINC000474596695	561078033	/nfs/dbraw/zinc/07/80/33/561078033.db2.gz	SNENWBUHXKPERX-UHFFFAOYSA-N	1	1	365.474	2.403	20	30		FEEDMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@@H](CC#N)c1ccccc1	ZINC000475530825	561099483	/nfs/dbraw/zinc/09/94/83/561099483.db2.gz	OTSRPZPVPVBNHD-MOPGFXCFSA-N	1	1	370.497	2.133	20	30		FEEDMO
Cc1cccc(NCCNS(=O)(=O)c2cc(C#N)ccc2Cl)[nH+]1	ZINC000476331411	561116692	/nfs/dbraw/zinc/11/66/92/561116692.db2.gz	MLJBKEQPCGSEAJ-UHFFFAOYSA-N	1	1	350.831	2.306	20	30		FEEDMO
Cn1ncc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c1C#N	ZINC000476939902	561132524	/nfs/dbraw/zinc/13/25/24/561132524.db2.gz	LSJZNSYDZNHHJQ-UHFFFAOYSA-N	1	1	362.231	2.368	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528380996	562325917	/nfs/dbraw/zinc/32/59/17/562325917.db2.gz	LBWKBAFRWZRFKL-SJLPKXTDSA-N	1	1	373.497	2.172	20	30		FEEDMO
Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccccc1C#N	ZINC000528493337	562332197	/nfs/dbraw/zinc/33/21/97/562332197.db2.gz	PPUWDEHPDLSKNT-CEXWTWQISA-N	1	1	364.449	2.352	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2	ZINC000528503205	562332915	/nfs/dbraw/zinc/33/29/15/562332915.db2.gz	JFDVGCDWGGKARD-INIZCTEOSA-N	1	1	352.390	2.171	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC2(C1)Oc1ccccc1O2	ZINC000528503205	562332916	/nfs/dbraw/zinc/33/29/16/562332916.db2.gz	JFDVGCDWGGKARD-INIZCTEOSA-N	1	1	352.390	2.171	20	30		FEEDMO
CC1(C)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1[C@H]1CCCO1	ZINC000528504115	562332938	/nfs/dbraw/zinc/33/29/38/562332938.db2.gz	MQZIDTXJLWPXOS-MSOLQXFVSA-N	1	1	352.434	2.175	20	30		FEEDMO
CC1(C)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1[C@H]1CCCO1	ZINC000528504115	562332939	/nfs/dbraw/zinc/33/29/39/562332939.db2.gz	MQZIDTXJLWPXOS-MSOLQXFVSA-N	1	1	352.434	2.175	20	30		FEEDMO
C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)o1	ZINC000528530807	562334357	/nfs/dbraw/zinc/33/43/57/562334357.db2.gz	VFTPXUPXRDVLQC-RHSMWYFYSA-N	1	1	359.451	2.340	20	30		FEEDMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)o1	ZINC000528530807	562334358	/nfs/dbraw/zinc/33/43/58/562334358.db2.gz	VFTPXUPXRDVLQC-RHSMWYFYSA-N	1	1	359.451	2.340	20	30		FEEDMO
CC(C)[C@H]1CN(CC(=O)NC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1	ZINC000528639199	562339592	/nfs/dbraw/zinc/33/95/92/562339592.db2.gz	KUDYSZDBYYNQAK-LJQANCHMSA-N	1	1	354.498	2.391	20	30		FEEDMO
C[C@]1(CO)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@]1(C)CO	ZINC000529668793	562380726	/nfs/dbraw/zinc/38/07/26/562380726.db2.gz	NSMHWVCLJMCRJN-OYRHEFFESA-N	1	1	368.481	2.277	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(-c2ccncc2)n1	ZINC000529678708	562380972	/nfs/dbraw/zinc/38/09/72/562380972.db2.gz	NZBINJKKQWSJQS-ZENTWMBTSA-N	1	1	369.494	2.344	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CC[N@H+]1C1CCCC1	ZINC000530026168	562394950	/nfs/dbraw/zinc/39/49/50/562394950.db2.gz	AJXZIHUQEUGJMN-GOSISDBHSA-N	1	1	357.502	2.479	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2C)c1C#N	ZINC000530413777	562410176	/nfs/dbraw/zinc/41/01/76/562410176.db2.gz	AGUYSDBSMXJYPV-SJKOYZFVSA-N	1	1	370.428	2.499	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)c1C#N	ZINC000530413777	562410177	/nfs/dbraw/zinc/41/01/77/562410177.db2.gz	AGUYSDBSMXJYPV-SJKOYZFVSA-N	1	1	370.428	2.499	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1	ZINC000530627736	562418309	/nfs/dbraw/zinc/41/83/09/562418309.db2.gz	SDZHSYXJHCJCLP-FXAWDEMLSA-N	1	1	355.482	2.453	20	30		FEEDMO
CC(C)(O)C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCOCC1	ZINC000530939166	562429261	/nfs/dbraw/zinc/42/92/61/562429261.db2.gz	MLPRIBMTGFHIIU-UHFFFAOYSA-N	1	1	356.426	2.360	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(C#N)s3)cc2)CC1	ZINC000531384661	562444147	/nfs/dbraw/zinc/44/41/47/562444147.db2.gz	OAPGVQZCMCAKGI-UHFFFAOYSA-N	1	1	368.462	2.189	20	30		FEEDMO
CC1CC(C#N)(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)C1	ZINC000531558817	562449736	/nfs/dbraw/zinc/44/97/36/562449736.db2.gz	KRPOPFAWZSWAIZ-BIXGBWIQSA-N	1	1	354.498	2.421	20	30		FEEDMO
CC1CC(C#N)(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C1	ZINC000531558817	562449737	/nfs/dbraw/zinc/44/97/37/562449737.db2.gz	KRPOPFAWZSWAIZ-BIXGBWIQSA-N	1	1	354.498	2.421	20	30		FEEDMO
CC1CC(C#N)(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1	ZINC000531558817	562449738	/nfs/dbraw/zinc/44/97/38/562449738.db2.gz	KRPOPFAWZSWAIZ-BIXGBWIQSA-N	1	1	354.498	2.421	20	30		FEEDMO
CC(C)[N@@H+](C)CC1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000532828724	562490030	/nfs/dbraw/zinc/49/00/30/562490030.db2.gz	PIPVTWXHVBOLQG-UHFFFAOYSA-N	1	1	363.527	2.384	20	30		FEEDMO
COC(=O)c1ccc(Cl)c(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000540964902	562598791	/nfs/dbraw/zinc/59/87/91/562598791.db2.gz	BWXJFLOQPADHKF-UHFFFAOYSA-N	1	1	361.833	2.368	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@H](C)C1	ZINC000541921107	562623410	/nfs/dbraw/zinc/62/34/10/562623410.db2.gz	ZOPGGBYGSBQVSE-SJLPKXTDSA-N	1	1	350.507	2.459	20	30		FEEDMO
N#CC[C@]1(O)CCN(C(=O)N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1	ZINC000602392507	567974967	/nfs/dbraw/zinc/97/49/67/567974967.db2.gz	RHHJVGXQEUKPET-FPOVZHCZSA-N	1	1	370.497	2.491	20	30		FEEDMO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000602557804	567991408	/nfs/dbraw/zinc/99/14/08/567991408.db2.gz	JGANRLKZLFIOJJ-NQIIRXRSSA-N	1	1	357.498	2.312	20	30		FEEDMO
CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1cc2ccccc2n1CC#N	ZINC000603115932	568063491	/nfs/dbraw/zinc/06/34/91/568063491.db2.gz	LOSGKMIQTZJCGO-RBUKOAKNSA-N	1	1	366.465	2.394	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)n1cc(C[NH2+]Cc2ccccc2)nn1	ZINC000603176260	568068061	/nfs/dbraw/zinc/06/80/61/568068061.db2.gz	NTJYVIJDVWYUPA-INIZCTEOSA-N	1	1	366.469	2.472	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)Cn2cc(C[NH+]3CCCC3)nn2)c1	ZINC000603185873	568071443	/nfs/dbraw/zinc/07/14/43/568071443.db2.gz	CNHWFHYQZZULPU-UHFFFAOYSA-N	1	1	366.469	2.438	20	30		FEEDMO
COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)COc1ccc(C#N)cc1	ZINC000569617310	568410261	/nfs/dbraw/zinc/41/02/61/568410261.db2.gz	ZGEILUYFLCPKRD-GOSISDBHSA-N	1	1	351.406	2.119	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(c3nccc4c(=O)[nH]cnc43)CC2)cc1	ZINC000570060556	568442176	/nfs/dbraw/zinc/44/21/76/568442176.db2.gz	XCWFJBLITASBEY-UHFFFAOYSA-N	1	1	360.421	2.314	20	30		FEEDMO
Cc1cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cn2cc[nH+]c12	ZINC000570902274	568627662	/nfs/dbraw/zinc/62/76/62/568627662.db2.gz	PMOHILXFDLKSFX-UHFFFAOYSA-N	1	1	361.409	2.264	20	30		FEEDMO
CN(CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc(C#N)c1	ZINC000736799017	598945799	/nfs/dbraw/zinc/94/57/99/598945799.db2.gz	MFDRIXYCPUTKHF-UHFFFAOYSA-N	1	1	361.453	2.302	20	30		FEEDMO
CN(CC[N@H+](C)Cc1cccc(C#N)c1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000736799017	598945801	/nfs/dbraw/zinc/94/58/01/598945801.db2.gz	MFDRIXYCPUTKHF-UHFFFAOYSA-N	1	1	361.453	2.302	20	30		FEEDMO
CN(CC[N@@H+](C)Cc1cccc(C#N)c1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000736799017	598945802	/nfs/dbraw/zinc/94/58/02/598945802.db2.gz	MFDRIXYCPUTKHF-UHFFFAOYSA-N	1	1	361.453	2.302	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1	ZINC000557520681	674451916	/nfs/dbraw/zinc/45/19/16/674451916.db2.gz	FHTICPZQTDQRGH-QGZVFWFLSA-N	1	1	352.500	2.355	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2ccc(OC)cc2Br)CC1	ZINC000809552396	674497307	/nfs/dbraw/zinc/49/73/07/674497307.db2.gz	SVESIMPZXFINDE-UHFFFAOYSA-N	1	1	365.271	2.419	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1C#N	ZINC000559031259	674524852	/nfs/dbraw/zinc/52/48/52/674524852.db2.gz	JFCPLGOFZNQJEF-UHFFFAOYSA-N	1	1	350.488	2.003	20	30		FEEDMO
C[C@@H]1CN(Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1	ZINC000822000355	606178470	/nfs/dbraw/zinc/17/84/70/606178470.db2.gz	JWRLQBSCXNNSID-MRXNPFEDSA-N	1	1	373.464	2.445	20	30		FEEDMO
COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1ccc(C#N)cc1	ZINC000826158741	608566702	/nfs/dbraw/zinc/56/67/02/608566702.db2.gz	AOIYREVPVDEBRM-UHFFFAOYSA-N	1	1	354.439	2.448	20	30		FEEDMO
COCC[N@H+](Cc1ccc(C#N)s1)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000826158833	608567201	/nfs/dbraw/zinc/56/72/01/608567201.db2.gz	FJNODUYZMZOHDO-UHFFFAOYSA-N	1	1	354.439	2.448	20	30		FEEDMO
COCC[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000826158833	608567202	/nfs/dbraw/zinc/56/72/02/608567202.db2.gz	FJNODUYZMZOHDO-UHFFFAOYSA-N	1	1	354.439	2.448	20	30		FEEDMO
CC(C)(CCC#N)C[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1	ZINC000824152793	608589602	/nfs/dbraw/zinc/58/96/02/608589602.db2.gz	NGEQSAXBVNSBKX-UHFFFAOYSA-N	1	1	370.461	2.184	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1CCC(CC#N)CC1	ZINC000824045242	609428200	/nfs/dbraw/zinc/42/82/00/609428200.db2.gz	JUUGUSPJYBPMBW-NSHDSACASA-N	1	1	373.848	2.473	20	30		FEEDMO
Cc1nsc(N2CCN(c3nc(N4CCCC4)cc[nH+]3)CC2)c1C#N	ZINC000811854822	674633766	/nfs/dbraw/zinc/63/37/66/674633766.db2.gz	DSHMNECCQNHQGM-UHFFFAOYSA-N	1	1	355.471	2.040	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](c2nc[nH]n2)C1	ZINC000563022173	674835839	/nfs/dbraw/zinc/83/58/39/674835839.db2.gz	PGDMTQDXUBHQBW-GHMZBOCLSA-N	1	1	356.455	2.043	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1	ZINC000564915680	675075942	/nfs/dbraw/zinc/07/59/42/675075942.db2.gz	ABTHKORAZHWJIM-PMPSAXMXSA-N	1	1	351.491	2.294	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1	ZINC000564915680	675075949	/nfs/dbraw/zinc/07/59/49/675075949.db2.gz	ABTHKORAZHWJIM-PMPSAXMXSA-N	1	1	351.491	2.294	20	30		FEEDMO
CCOc1cccc(/C=N/C[C@@]2([NH+]3CCOCC3)CCSC2)c1O	ZINC000078753540	670593551	/nfs/dbraw/zinc/59/35/51/670593551.db2.gz	JKMMXKUZSDDQEA-LPGQDOADSA-N	1	1	350.484	2.418	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CC[N@@H+](Cc2ccccc2)C1	ZINC000569796609	670613640	/nfs/dbraw/zinc/61/36/40/670613640.db2.gz	YDISEFNRMJHOKN-KRWDZBQOSA-N	1	1	361.511	2.464	20	30		FEEDMO
C=C(Br)C[NH2+]Cc1ccc(OCC(=O)NCC)c(OC)c1	ZINC000105453934	670801202	/nfs/dbraw/zinc/80/12/02/670801202.db2.gz	HSHVIHAQEASLOH-UHFFFAOYSA-N	1	1	357.248	2.208	20	30		FEEDMO
N#Cc1ccc(Br)c(C[NH+]2CCC(N3CN=NC3=O)CC2)c1	ZINC000571818989	670928556	/nfs/dbraw/zinc/92/85/56/670928556.db2.gz	YDKAULOHTSMDKM-UHFFFAOYSA-N	1	1	362.231	2.455	20	30		FEEDMO
C=CCn1c(SCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1-c1cnccn1	ZINC000574770090	671275990	/nfs/dbraw/zinc/27/59/90/671275990.db2.gz	FUTDKRYLNMODJQ-OKILXGFUSA-N	1	1	360.487	2.122	20	30		FEEDMO
C=CCn1c(SCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1-c1cnccn1	ZINC000574770090	671275992	/nfs/dbraw/zinc/27/59/92/671275992.db2.gz	FUTDKRYLNMODJQ-OKILXGFUSA-N	1	1	360.487	2.122	20	30		FEEDMO
CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000566228364	675196169	/nfs/dbraw/zinc/19/61/69/675196169.db2.gz	MLDFOWVMFOTXMQ-GFCCVEGCSA-N	1	1	372.288	2.083	20	30		FEEDMO
N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCC[N@@H+]3C3CC3)n2)c(Cl)c1	ZINC000576650425	671384183	/nfs/dbraw/zinc/38/41/83/671384183.db2.gz	XVRBJMZTPGTTMJ-MRXNPFEDSA-N	1	1	355.829	2.963	20	30		FEEDMO
N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)n2)c(Cl)c1	ZINC000576650425	671384185	/nfs/dbraw/zinc/38/41/85/671384185.db2.gz	XVRBJMZTPGTTMJ-MRXNPFEDSA-N	1	1	355.829	2.963	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3c(n2)CCCC3)cc1	ZINC000581543959	671909666	/nfs/dbraw/zinc/90/96/66/671909666.db2.gz	CLULACRZSGVNPG-UHFFFAOYSA-N	1	1	355.463	2.396	20	30		FEEDMO
C[C@H](O)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1F	ZINC000583143352	672067555	/nfs/dbraw/zinc/06/75/55/672067555.db2.gz	HQRZVRULBKHROI-SCLBCKFNSA-N	1	1	362.426	2.183	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000583217253	672074636	/nfs/dbraw/zinc/07/46/36/672074636.db2.gz	SRAUQWKMZGZTKD-UHFFFAOYSA-N	1	1	362.499	2.408	20	30		FEEDMO
O=S(=O)(NC[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1	ZINC000583447220	672095792	/nfs/dbraw/zinc/09/57/92/672095792.db2.gz	RFDHLOUWEIIBDE-INIZCTEOSA-N	1	1	366.914	2.485	20	30		FEEDMO
O=S(=O)(NC[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1	ZINC000583447220	672095794	/nfs/dbraw/zinc/09/57/94/672095794.db2.gz	RFDHLOUWEIIBDE-INIZCTEOSA-N	1	1	366.914	2.485	20	30		FEEDMO
CS(=O)(=O)C1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000610762969	675995343	/nfs/dbraw/zinc/99/53/43/675995343.db2.gz	LHYKBJQIIWYSFM-UHFFFAOYSA-N	1	1	369.874	2.049	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCN(C)C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000589649107	672537413	/nfs/dbraw/zinc/53/74/13/672537413.db2.gz	ZCQDQGYBXXTJCR-UHFFFAOYSA-N	1	1	365.909	2.237	20	30		FEEDMO
CN(CCCN(C)C(=O)NCc1ccc(C#N)c(Cl)c1)CC[NH+](C)C	ZINC000589649107	672537416	/nfs/dbraw/zinc/53/74/16/672537416.db2.gz	ZCQDQGYBXXTJCR-UHFFFAOYSA-N	1	1	365.909	2.237	20	30		FEEDMO
C=C[C@@H](O)C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000611721938	676052046	/nfs/dbraw/zinc/05/20/46/676052046.db2.gz	NUJDDXTXNIKKDH-HZPDHXFCSA-N	1	1	356.388	2.446	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1	ZINC000593159832	672884768	/nfs/dbraw/zinc/88/47/68/672884768.db2.gz	RUCFIWGOZVXGGP-UKRRQHHQSA-N	1	1	360.483	2.221	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1	ZINC000593159832	672884771	/nfs/dbraw/zinc/88/47/71/672884771.db2.gz	RUCFIWGOZVXGGP-UKRRQHHQSA-N	1	1	360.483	2.221	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1=O	ZINC000685004369	672984792	/nfs/dbraw/zinc/98/47/92/672984792.db2.gz	WRFSXPCOVHASGN-WBMJQRKESA-N	1	1	373.280	2.452	20	30		FEEDMO
N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000310836170	673026333	/nfs/dbraw/zinc/02/63/33/673026333.db2.gz	ZVFCRJYOPDIHFG-HNNXBMFYSA-N	1	1	359.426	2.250	20	30		FEEDMO
N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000310836170	673026336	/nfs/dbraw/zinc/02/63/36/673026336.db2.gz	ZVFCRJYOPDIHFG-HNNXBMFYSA-N	1	1	359.426	2.250	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)NC[C@]3(C)CCOC3)CC2)C[C@H](C)O1	ZINC000329560611	673079363	/nfs/dbraw/zinc/07/93/63/673079363.db2.gz	RGZSONFJFUBCKE-FCEWJHQRSA-N	1	1	353.507	2.148	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000725809208	673091483	/nfs/dbraw/zinc/09/14/83/673091483.db2.gz	IUJWINKNWSZSMR-HZPDHXFCSA-N	1	1	351.491	2.422	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC(CS(N)(=O)=O)CC2)c(C(F)(F)F)c1	ZINC000595397095	673242286	/nfs/dbraw/zinc/24/22/86/673242286.db2.gz	IPRHUDSVFLTGRS-UHFFFAOYSA-N	1	1	361.389	2.078	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)CCn1c(=O)oc2cc(Cl)ccc21	ZINC000729810390	673249358	/nfs/dbraw/zinc/24/93/58/673249358.db2.gz	WWURMTZWWANUJE-AWEZNQCLSA-N	1	1	362.813	2.279	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595453451	673252543	/nfs/dbraw/zinc/25/25/43/673252543.db2.gz	GOXSHXUIESBIIQ-UHFFFAOYSA-N	1	1	358.471	2.047	20	30		FEEDMO
C[N@@H+](CCNC(=O)N1CCN(c2ccsc2C#N)CC1)C1CCCC1	ZINC000595496776	673257905	/nfs/dbraw/zinc/25/79/05/673257905.db2.gz	ICHKWYUMZJBSGM-UHFFFAOYSA-N	1	1	361.515	2.326	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC(F)(F)[C@H](CO)C1)CCC2	ZINC000463222508	673301541	/nfs/dbraw/zinc/30/15/41/673301541.db2.gz	MOMWFNPIWCPSLG-NSHDSACASA-N	1	1	369.437	2.387	20	30		FEEDMO
COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](CCC#N)CC(C)(C)C	ZINC000731848618	673344837	/nfs/dbraw/zinc/34/48/37/673344837.db2.gz	WXZHLKZMSLAIBM-PTNGSMBKSA-N	1	1	353.488	2.228	20	30		FEEDMO
C=CCCSCCNC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000596717659	673406975	/nfs/dbraw/zinc/40/69/75/673406975.db2.gz	OIGXOBOZSLOTLZ-UHFFFAOYSA-N	1	1	368.591	2.496	20	30		FEEDMO
CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000735308545	673490024	/nfs/dbraw/zinc/49/00/24/673490024.db2.gz	IRCDODDKBDNEOZ-ZDUSSCGKSA-N	1	1	371.890	2.004	20	30		FEEDMO
CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000735308545	673490025	/nfs/dbraw/zinc/49/00/25/673490025.db2.gz	IRCDODDKBDNEOZ-ZDUSSCGKSA-N	1	1	371.890	2.004	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)C1	ZINC000735310720	673490074	/nfs/dbraw/zinc/49/00/74/673490074.db2.gz	CQEPXSPRRPRBAT-SFHVURJKSA-N	1	1	362.905	2.454	20	30		FEEDMO
C[C@@H](CC#N)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1	ZINC000597741022	673503405	/nfs/dbraw/zinc/50/34/05/673503405.db2.gz	YRVHEHGJCCKXEK-NSHDSACASA-N	1	1	366.263	2.084	20	30		FEEDMO
N#Cc1sccc1N1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1	ZINC000597936132	673520796	/nfs/dbraw/zinc/52/07/96/673520796.db2.gz	LVYCCZSDUOYLDU-UHFFFAOYSA-N	1	1	355.467	2.044	20	30		FEEDMO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H](C#N)c1ccccc1Br	ZINC000598388924	673564923	/nfs/dbraw/zinc/56/49/23/673564923.db2.gz	VIWLOWJNOFFTQL-SWLSCSKDSA-N	1	1	366.259	2.098	20	30		FEEDMO
C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@@H](O)CC(C)(C)C#N	ZINC000598585917	673586746	/nfs/dbraw/zinc/58/67/46/673586746.db2.gz	BKBWILQEOVYCHD-HNNXBMFYSA-N	1	1	368.499	2.092	20	30		FEEDMO
C=CCn1nnn(CN2CC[NH+](Cc3ccc(CC)s3)CC2)c1=S	ZINC000738269940	673614323	/nfs/dbraw/zinc/61/43/23/673614323.db2.gz	CRTOHZYYTWTXHG-UHFFFAOYSA-N	1	1	364.544	2.394	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599359379	673663524	/nfs/dbraw/zinc/66/35/24/673663524.db2.gz	ACUVJANXKKGNKL-CVEARBPZSA-N	1	1	352.475	2.111	20	30		FEEDMO
N#CCN1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1	ZINC000599376585	673666364	/nfs/dbraw/zinc/66/63/64/673666364.db2.gz	VZZOMIGVHVCASJ-SFHVURJKSA-N	1	1	360.889	2.409	20	30		FEEDMO
N#CCN1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1	ZINC000599376585	673666367	/nfs/dbraw/zinc/66/63/67/673666367.db2.gz	VZZOMIGVHVCASJ-SFHVURJKSA-N	1	1	360.889	2.409	20	30		FEEDMO
CC[C@](C)(C(=O)OC)[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)CC1CC1	ZINC000599439916	673675741	/nfs/dbraw/zinc/67/57/41/673675741.db2.gz	JHIUNJJHHRIXQF-FUHWJXTLSA-N	1	1	352.475	2.111	20	30		FEEDMO
CC[C@](C)(C(=O)OC)[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)CC1CC1	ZINC000599439917	673675786	/nfs/dbraw/zinc/67/57/86/673675786.db2.gz	JHIUNJJHHRIXQF-SJLPKXTDSA-N	1	1	352.475	2.111	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1cc(OC)c(OC)cc1SC	ZINC000741234867	673676269	/nfs/dbraw/zinc/67/62/69/673676269.db2.gz	YGDOWYNEGVDKJF-HNNXBMFYSA-N	1	1	362.495	2.482	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1cc(OC)c(OC)cc1SC	ZINC000741234867	673676271	/nfs/dbraw/zinc/67/62/71/673676271.db2.gz	YGDOWYNEGVDKJF-HNNXBMFYSA-N	1	1	362.495	2.482	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2ccc3cncc(Br)c3n2)CC1	ZINC000601043195	673821519	/nfs/dbraw/zinc/82/15/19/673821519.db2.gz	VYCKPZNYIDUTRO-UHFFFAOYSA-N	1	1	374.242	2.110	20	30		FEEDMO
N#Cc1ccc(CN(C(=S)NCCC[NH+]2CCOCC2)C2CC2)cc1	ZINC000745653235	673844600	/nfs/dbraw/zinc/84/46/00/673844600.db2.gz	KQNGGAJXZGVVIA-UHFFFAOYSA-N	1	1	358.511	2.119	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1	ZINC000601362715	673848527	/nfs/dbraw/zinc/84/85/27/673848527.db2.gz	PIPZIKUFGZBCRS-OAHLLOKOSA-N	1	1	365.474	2.358	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000601372447	673850518	/nfs/dbraw/zinc/85/05/18/673850518.db2.gz	YFZNQERSFLMEOS-XJKSGUPXSA-N	1	1	351.447	2.111	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCC(Nc2ccccc2C#N)CC1)[C@H]1CCSC1	ZINC000602191125	673903223	/nfs/dbraw/zinc/90/32/23/673903223.db2.gz	KZYZPQQQXIZTBG-KRWDZBQOSA-N	1	1	358.511	2.398	20	30		FEEDMO
CO[C@]1(C(F)(F)F)CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000614924987	676196877	/nfs/dbraw/zinc/19/68/77/676196877.db2.gz	QPFUFKJFVHIKKO-GOEBONIOSA-N	1	1	358.360	2.341	20	30		FEEDMO
CO[C@@]1(C(F)(F)F)CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000614924989	676196928	/nfs/dbraw/zinc/19/69/28/676196928.db2.gz	QPFUFKJFVHIKKO-ZBFHGGJFSA-N	1	1	358.360	2.341	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1	ZINC000818584726	675226070	/nfs/dbraw/zinc/22/60/70/675226070.db2.gz	WCWALPMFCLEMKY-IBGZPJMESA-N	1	1	351.491	2.095	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1	ZINC000818608950	675228567	/nfs/dbraw/zinc/22/85/67/675228567.db2.gz	AHTKMBOIJZPRAF-UHFFFAOYSA-N	1	1	355.316	2.237	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819031990	675254064	/nfs/dbraw/zinc/25/40/64/675254064.db2.gz	BDKFFFCCJBEHOD-CABCVRRESA-N	1	1	352.479	2.174	20	30		FEEDMO
CN(CC[N@H+](C)Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000615682925	676224211	/nfs/dbraw/zinc/22/42/11/676224211.db2.gz	NYYQAMSYKAJZHK-UHFFFAOYSA-N	1	1	361.442	2.450	20	30		FEEDMO
CN(CC[N@@H+](C)Cc1ccc(F)cc1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000615682925	676224213	/nfs/dbraw/zinc/22/42/13/676224213.db2.gz	NYYQAMSYKAJZHK-UHFFFAOYSA-N	1	1	361.442	2.450	20	30		FEEDMO
C#C[C@@H](NC(=O)N1CC[NH+](CCOC)CC1)c1ccc(Cl)cc1F	ZINC000820732194	675383148	/nfs/dbraw/zinc/38/31/48/675383148.db2.gz	ZCVZPOUFBONGQN-MRXNPFEDSA-N	1	1	353.825	2.127	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1	ZINC000821331872	675427696	/nfs/dbraw/zinc/42/76/96/675427696.db2.gz	GUIODZZHGOCQME-IYBDPMFKSA-N	1	1	359.495	2.313	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)C[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1	ZINC000821331872	675427697	/nfs/dbraw/zinc/42/76/97/675427697.db2.gz	GUIODZZHGOCQME-IYBDPMFKSA-N	1	1	359.495	2.313	20	30		FEEDMO
C=CC1(CC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CN(C(=O)OC(C)(C)C)C1	ZINC000823133512	675531411	/nfs/dbraw/zinc/53/14/11/675531411.db2.gz	NXFHMKGQYNOAGT-HNNXBMFYSA-N	1	1	351.491	2.352	20	30		FEEDMO
O=C(C#Cc1cccs1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000827919540	675787018	/nfs/dbraw/zinc/78/70/18/675787018.db2.gz	KTDDUQHJSLHZKB-HKUYNNGSSA-N	1	1	354.475	2.099	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1cccc(F)c1	ZINC000619473565	676378946	/nfs/dbraw/zinc/37/89/46/676378946.db2.gz	JBMKOCXXLNMPPI-SFHVURJKSA-N	1	1	361.442	2.473	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1cc(S(C)(=O)=O)oc1C)C(C)C	ZINC000625556690	676657001	/nfs/dbraw/zinc/65/70/01/676657001.db2.gz	IYDSQNBJQKMSGU-MRXNPFEDSA-N	1	1	368.499	2.420	20	30		FEEDMO
C=CCOc1c(Cl)cc(CN2CC[N@@H+](CCO)[C@@H](C)C2)cc1OC	ZINC000628242133	676795449	/nfs/dbraw/zinc/79/54/49/676795449.db2.gz	SQHNVMDKTMQAII-AWEZNQCLSA-N	1	1	354.878	2.412	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@H](CC)[C@H](O)c1c(F)cccc1F	ZINC000838622841	680706499	/nfs/dbraw/zinc/70/64/99/680706499.db2.gz	PYGDECBETDCRGF-WBVHZDCISA-N	1	1	353.413	2.031	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1	ZINC000838623478	680706748	/nfs/dbraw/zinc/70/67/48/680706748.db2.gz	DMQIFUNIZDKODO-UHFFFAOYSA-N	1	1	372.296	2.452	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12	ZINC000656360475	677749352	/nfs/dbraw/zinc/74/93/52/677749352.db2.gz	UAIINQKRRIANLM-SJORKVTESA-N	1	1	361.511	2.396	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)CC1(C)C	ZINC000974588218	679960599	/nfs/dbraw/zinc/96/05/99/679960599.db2.gz	OQDJEJCKPKHDGF-FGTMMUONSA-N	1	1	350.503	2.221	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000832250031	680115974	/nfs/dbraw/zinc/11/59/74/680115974.db2.gz	DKJWCKHBIVSDKN-HOTGVXAUSA-N	1	1	351.491	2.258	20	30		FEEDMO
CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1	ZINC000751061093	680151310	/nfs/dbraw/zinc/15/13/10/680151310.db2.gz	BOFBGNZRRSCDRW-UHFFFAOYSA-N	1	1	353.463	2.438	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21	ZINC000978827009	680181297	/nfs/dbraw/zinc/18/12/97/680181297.db2.gz	DGBMYKIRVJQYLQ-FDPKGLCPSA-N	1	1	361.511	2.308	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@H]21	ZINC000978827009	680181299	/nfs/dbraw/zinc/18/12/99/680181299.db2.gz	DGBMYKIRVJQYLQ-FDPKGLCPSA-N	1	1	361.511	2.308	20	30		FEEDMO
CNC(=O)CCOC1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1	ZINC000752093431	680223888	/nfs/dbraw/zinc/22/38/88/680223888.db2.gz	IQVKYYRBGVZRQU-UHFFFAOYSA-N	1	1	365.861	2.359	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(CCC)s2)C1	ZINC001022842967	680241891	/nfs/dbraw/zinc/24/18/91/680241891.db2.gz	NQXCAFASANAMKY-LOUJCGABSA-N	1	1	364.515	2.209	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC000982805260	680288093	/nfs/dbraw/zinc/28/80/93/680288093.db2.gz	NYTYTMUEBFVMOE-VHDGCEQUSA-N	1	1	355.910	2.070	20	30		FEEDMO
CCN(CC)S(=O)(=O)c1ccc(N=NC2C[C@H](C)[N@H+](C3CC3)C2)nc1	ZINC000753954330	680326278	/nfs/dbraw/zinc/32/62/78/680326278.db2.gz	CZWMDFUXASADGA-ZDUSSCGKSA-N	1	1	365.503	2.137	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH2+]Cc2cnsn2)CC1	ZINC001026496161	680344807	/nfs/dbraw/zinc/34/48/07/680344807.db2.gz	OHMUMJBVJMMPJP-GMEATFMZSA-N	1	1	350.488	2.036	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCOCC2)C1	ZINC001027613454	680361846	/nfs/dbraw/zinc/36/18/46/680361846.db2.gz	XVUSFIYXHPHDIX-FHWLQOOXSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cc(OC)ns2)C1	ZINC001028549745	680373910	/nfs/dbraw/zinc/37/39/10/680373910.db2.gz	WYAKBEQCEAHQTG-IMJJTQAJSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC000998121282	680376198	/nfs/dbraw/zinc/37/61/98/680376198.db2.gz	OVVKYUXMCYSKIB-OWCLPIDISA-N	1	1	355.910	2.344	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000754904593	680388101	/nfs/dbraw/zinc/38/81/01/680388101.db2.gz	YDQQSORHKYLFEP-SQNIBIBYSA-N	1	1	363.864	2.438	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000754904593	680388105	/nfs/dbraw/zinc/38/81/05/680388105.db2.gz	YDQQSORHKYLFEP-SQNIBIBYSA-N	1	1	363.864	2.438	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccns1	ZINC001032673316	680415671	/nfs/dbraw/zinc/41/56/71/680415671.db2.gz	KJQYCWUEPJQYIV-LAQRGFTBSA-N	1	1	361.511	2.342	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1ccns1	ZINC001032673316	680415672	/nfs/dbraw/zinc/41/56/72/680415672.db2.gz	KJQYCWUEPJQYIV-LAQRGFTBSA-N	1	1	361.511	2.342	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2snnc2C)C1	ZINC001034213629	680430229	/nfs/dbraw/zinc/43/02/29/680430229.db2.gz	VYLFMKIYRDFCKR-OAGGEKHMSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2snnc2C)C1	ZINC001034213629	680430231	/nfs/dbraw/zinc/43/02/31/680430231.db2.gz	VYLFMKIYRDFCKR-OAGGEKHMSA-N	1	1	364.515	2.298	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCCN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC001034213919	680430975	/nfs/dbraw/zinc/43/09/75/680430975.db2.gz	DSXRTZWXZSXPBN-IIDMSEBBSA-N	1	1	360.527	2.431	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC[N@H+](C[C@H](C)OC)C2)CC1	ZINC001035185631	680443414	/nfs/dbraw/zinc/44/34/14/680443414.db2.gz	FPWUIVGTTHFEKR-KSZLIROESA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[N@H+]([C@@H](C)COC)C2)CC1	ZINC001035236683	680444745	/nfs/dbraw/zinc/44/47/45/680444745.db2.gz	BDIYBGLLWJIYFQ-BZSNNMDCSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)C[C@@H]2CCCCO2)CC1	ZINC000985695145	680471325	/nfs/dbraw/zinc/47/13/25/680471325.db2.gz	SCLNMPBQGZZZHH-FHWLQOOXSA-N	1	1	350.503	2.460	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NC[C@H](COC)c1ccc(Cl)cc1	ZINC000836491397	680476937	/nfs/dbraw/zinc/47/69/37/680476937.db2.gz	QREZUCKIGOIFAM-MRXNPFEDSA-N	1	1	351.878	2.324	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC2)s1	ZINC001003067381	680520005	/nfs/dbraw/zinc/52/00/05/680520005.db2.gz	CYAMBIORYCHWSF-HZPDHXFCSA-N	1	1	355.467	2.227	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1C	ZINC001042603218	680536113	/nfs/dbraw/zinc/53/61/13/680536113.db2.gz	CCDDVOHSQPGBNO-WQVCFCJDSA-N	1	1	361.515	2.139	20	30		FEEDMO
Fc1ccc(/C=C/C=NNC(=S)NCCC[NH+]2CCOCC2)c(F)c1	ZINC000758080817	680554150	/nfs/dbraw/zinc/55/41/50/680554150.db2.gz	XHSAYSDCMWTUDM-SFEFIMOYSA-N	1	1	368.453	2.150	20	30		FEEDMO
Cc1oc2ccccc2c1C=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000758095081	680555237	/nfs/dbraw/zinc/55/52/37/680555237.db2.gz	IFRPAXRHFQHWJZ-UHFFFAOYSA-N	1	1	360.483	2.262	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1Nc1nc(Cl)c(C#N)s1	ZINC001043516333	680585400	/nfs/dbraw/zinc/58/54/00/680585400.db2.gz	DJNDAXUDWMASNW-QJPTWQEYSA-N	1	1	367.906	2.269	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1Nc1nc(C#N)c(Cl)s1	ZINC001043517055	680585508	/nfs/dbraw/zinc/58/55/08/680585508.db2.gz	JRVRLTAJQPDVNH-DMDPSCGWSA-N	1	1	367.906	2.269	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2C#N)C1	ZINC001043577908	680588871	/nfs/dbraw/zinc/58/88/71/680588871.db2.gz	WPBPNXYDCVRXAA-WQVCFCJDSA-N	1	1	361.515	2.456	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2nc(C(C)C)ns2)C1	ZINC001043586553	680589990	/nfs/dbraw/zinc/58/99/90/680589990.db2.gz	FZWZXYLUIMKTGK-KFWWJZLASA-N	1	1	361.515	2.018	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2nc(C(C)C)ns2)C1	ZINC001043586553	680589993	/nfs/dbraw/zinc/58/99/93/680589993.db2.gz	FZWZXYLUIMKTGK-KFWWJZLASA-N	1	1	361.515	2.018	20	30		FEEDMO
Cc1nsc(N[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2C)c1C#N	ZINC001043593279	680590249	/nfs/dbraw/zinc/59/02/49/680590249.db2.gz	QADXQHKSBXHCHN-XNRPHZJLSA-N	1	1	361.515	2.456	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1Nc1snc(Cl)c1C#N	ZINC001043610100	680590939	/nfs/dbraw/zinc/59/09/39/680590939.db2.gz	ZHXOSUNJEQPGPC-RAIGVLPGSA-N	1	1	367.906	2.411	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cccc(NS(=O)(=O)CCC)c1	ZINC000759323578	680642452	/nfs/dbraw/zinc/64/24/52/680642452.db2.gz	GLQCZZYDNJUVJA-QGZVFWFLSA-N	1	1	364.467	2.093	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001046328395	680646350	/nfs/dbraw/zinc/64/63/50/680646350.db2.gz	ZXIRPIHFRVEKEJ-RYRKJORJSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CC#CC)CCC1(F)F	ZINC001046981352	680656180	/nfs/dbraw/zinc/65/61/80/680656180.db2.gz	YIIVXMTWKFFNAE-ULQDDVLXSA-N	1	1	354.441	2.454	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CC#CC)CCC1(F)F	ZINC001046981352	680656181	/nfs/dbraw/zinc/65/61/81/680656181.db2.gz	YIIVXMTWKFFNAE-ULQDDVLXSA-N	1	1	354.441	2.454	20	30		FEEDMO
Cc1cc(F)c(C=NNC(=S)NCCC[NH+]2CCOCC2)c(Cl)c1	ZINC000841607200	680903283	/nfs/dbraw/zinc/90/32/83/680903283.db2.gz	BVYJJWVONFBBAS-UHFFFAOYSA-N	1	1	372.897	2.308	20	30		FEEDMO
C[C@@H]1C(=NNC(=S)NCCC[NH+]2CCOCC2)C[C@H]1c1ccccc1	ZINC000767755942	680925137	/nfs/dbraw/zinc/92/51/37/680925137.db2.gz	WTJCNLTXDMSISB-DOTOQJQBSA-N	1	1	360.527	2.352	20	30		FEEDMO
C=CCn1c(=O)c2ccc(-c3nc(C[C@H](C)[NH2+]C)no3)cc2[nH]c1=S	ZINC000842623769	680955484	/nfs/dbraw/zinc/95/54/84/680955484.db2.gz	AVUUPRHEFLTVBK-JTQLQIEISA-N	1	1	357.439	2.072	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2snc(C)c2C#N)[C@@H]1C	ZINC001050357725	681046516	/nfs/dbraw/zinc/04/65/16/681046516.db2.gz	AXXRFMIKNVRNSF-VNQPRFMTSA-N	1	1	361.515	2.281	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001059095379	681178775	/nfs/dbraw/zinc/17/87/75/681178775.db2.gz	JKUHKHOUAWYCGV-OUAUKWLOSA-N	1	1	353.879	2.021	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001059444333	681180712	/nfs/dbraw/zinc/18/07/12/681180712.db2.gz	UDOPODPYWNFLJO-FIQHERPVSA-N	1	1	367.906	2.458	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](Nc3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001059853809	681186459	/nfs/dbraw/zinc/18/64/59/681186459.db2.gz	JNVPQJNJJAMEHI-CHWFTXMASA-N	1	1	353.879	2.067	20	30		FEEDMO
N#CC1(NC(=O)C[NH2+][C@@H]2CCOc3ccc(Br)cc32)CCC1	ZINC000932210090	681196863	/nfs/dbraw/zinc/19/68/63/681196863.db2.gz	OXAQCUMVTSSRRR-CYBMUJFWSA-N	1	1	364.243	2.425	20	30		FEEDMO
C=C(Br)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)CC[C@@H]2C1	ZINC000946599714	681245898	/nfs/dbraw/zinc/24/58/98/681245898.db2.gz	QJLPHGNIPDPJSS-IVSAIRAKSA-N	1	1	369.303	2.102	20	30		FEEDMO
CCOC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000932644143	681275674	/nfs/dbraw/zinc/27/56/74/681275674.db2.gz	MNOWXWIPQBAXKE-GFCCVEGCSA-N	1	1	361.467	2.322	20	30		FEEDMO
C#C[C@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000775792249	681335886	/nfs/dbraw/zinc/33/58/86/681335886.db2.gz	YZZIWDNSQHYGJP-AAEUAGOBSA-N	1	1	356.325	2.475	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H]1CCCO1	ZINC000775806893	681337263	/nfs/dbraw/zinc/33/72/63/681337263.db2.gz	OKGHANXZZJTRGB-OCCSQVGLSA-N	1	1	352.818	2.066	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C	ZINC000847491024	681385672	/nfs/dbraw/zinc/38/56/72/681385672.db2.gz	FXNJKEWZELIUOP-LSDHHAIUSA-N	1	1	352.479	2.174	20	30		FEEDMO
O=S1(=O)CCC(NN=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1	ZINC000776792825	681436342	/nfs/dbraw/zinc/43/63/42/681436342.db2.gz	RHVGEDOBYZVNNE-KDURUIRLSA-N	1	1	361.511	2.336	20	30		FEEDMO
O=C1C=COC2(CC[NH+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)C1	ZINC000933650919	681445737	/nfs/dbraw/zinc/44/57/37/681445737.db2.gz	XOTYJTKQQXIUAU-UHFFFAOYSA-N	1	1	359.813	2.186	20	30		FEEDMO
C[N@@H+](Cc1cc(C#N)cs1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1	ZINC000933771814	681466495	/nfs/dbraw/zinc/46/64/95/681466495.db2.gz	UPKRYFTWDNCVOR-KRWDZBQOSA-N	1	1	351.472	2.423	20	30		FEEDMO
C=C(C)[C@H](CO)[N@H+]1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000933860865	681475609	/nfs/dbraw/zinc/47/56/09/681475609.db2.gz	MXLAWLOSWKPSKM-HOTGVXAUSA-N	1	1	354.491	2.414	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](CC[C@H](C)F)CCO2	ZINC000949476672	681642501	/nfs/dbraw/zinc/64/25/01/681642501.db2.gz	BLAFNGQLEJBJQU-BBWFWOEESA-N	1	1	354.466	2.019	20	30		FEEDMO
CCOc1c(Br)cc(C=NNC2=[NH+]C[C@H](C)N2)cc1OC	ZINC000779792480	681753535	/nfs/dbraw/zinc/75/35/35/681753535.db2.gz	SCPLPMJDAOPMDH-VIFPVBQESA-N	1	1	355.236	2.128	20	30		FEEDMO
C=CCSCCNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1	ZINC000849510939	681755577	/nfs/dbraw/zinc/75/55/77/681755577.db2.gz	MUKKFHKFBOOYSV-IAGOWNOFSA-N	1	1	350.532	2.269	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@@H](O)C2CCCCC2)C1	ZINC000951785646	681756757	/nfs/dbraw/zinc/75/67/57/681756757.db2.gz	YCSYIYKDDBBACC-QRVBRYPASA-N	1	1	350.503	2.051	20	30		FEEDMO
C[C@H](CNC(=O)NCc1ccc(C#N)cn1)[N@@H+]1CCc2sccc2C1	ZINC000780297564	681812436	/nfs/dbraw/zinc/81/24/36/681812436.db2.gz	ATTMMJQGVGVPSJ-CYBMUJFWSA-N	1	1	355.467	2.261	20	30		FEEDMO
C[C@H](CNC(=O)NCc1ccc(C#N)cn1)[N@H+]1CCc2sccc2C1	ZINC000780297564	681812444	/nfs/dbraw/zinc/81/24/44/681812444.db2.gz	ATTMMJQGVGVPSJ-CYBMUJFWSA-N	1	1	355.467	2.261	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1c(C(F)(F)F)nc2n1CCCC2	ZINC000850826131	681964328	/nfs/dbraw/zinc/96/43/28/681964328.db2.gz	JLJLFWSZRGUABL-LBPRGKRZSA-N	1	1	355.360	2.493	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1c(C(F)(F)F)nc2n1CCCC2	ZINC000850826131	681964332	/nfs/dbraw/zinc/96/43/32/681964332.db2.gz	JLJLFWSZRGUABL-LBPRGKRZSA-N	1	1	355.360	2.493	20	30		FEEDMO
C=CCN(CC(=O)OCC)C(=O)c1sc2c(c1Br)C[NH2+]C2	ZINC000851638075	682099365	/nfs/dbraw/zinc/09/93/65/682099365.db2.gz	XCIHUJNXKIMSMD-UHFFFAOYSA-N	1	1	373.272	2.305	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C(C)(C)C1	ZINC000941049804	682099539	/nfs/dbraw/zinc/09/95/39/682099539.db2.gz	GWBBVHAFKIIMGL-ARFHVFGLSA-N	1	1	350.894	2.493	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C(C)(C)C1	ZINC000941049804	682099548	/nfs/dbraw/zinc/09/95/48/682099548.db2.gz	GWBBVHAFKIIMGL-ARFHVFGLSA-N	1	1	350.894	2.493	20	30		FEEDMO
C=C(C)[C@H]1CC=C(C)C(=NNC(=S)NCCC[NH+]2CCOCC2)C1	ZINC000916310586	685523504	/nfs/dbraw/zinc/52/35/04/685523504.db2.gz	YEYMAOHBADGTBA-INIZCTEOSA-N	1	1	350.532	2.461	20	30		FEEDMO
CCC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(F)cc1	ZINC000916620852	685526293	/nfs/dbraw/zinc/52/62/93/685526293.db2.gz	JHCGMYLJYAEDHB-UHFFFAOYSA-N	1	1	352.479	2.126	20	30		FEEDMO
CCOP(=O)(OCC)[C@@H](O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1	ZINC000852210696	682239962	/nfs/dbraw/zinc/23/99/62/682239962.db2.gz	JVTWVGUAWTXSMH-HZPDHXFCSA-N	1	1	356.359	2.108	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC000971568151	682361957	/nfs/dbraw/zinc/36/19/57/682361957.db2.gz	WHZVYQOBCWBPGL-FHLIZLRMSA-N	1	1	360.527	2.383	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC000971568151	682361961	/nfs/dbraw/zinc/36/19/61/682361961.db2.gz	WHZVYQOBCWBPGL-FHLIZLRMSA-N	1	1	360.527	2.383	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCn2cc(Cl)cn2)C1	ZINC000972520533	682419064	/nfs/dbraw/zinc/41/90/64/682419064.db2.gz	CIVIQTJMHBJHPO-ULQDDVLXSA-N	1	1	366.893	2.050	20	30		FEEDMO
CC[C@@H](C)CON=C(C)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1	ZINC000793158233	682868549	/nfs/dbraw/zinc/86/85/49/682868549.db2.gz	DZNFVEPHFBFALX-CQSZACIVSA-N	1	1	353.488	2.067	20	30		FEEDMO
C=CCn1nnn(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1=S	ZINC000794667897	682988520	/nfs/dbraw/zinc/98/85/20/682988520.db2.gz	QZTYRZROMVJJJY-CALCHBBNSA-N	1	1	356.499	2.016	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000926245389	683097170	/nfs/dbraw/zinc/09/71/70/683097170.db2.gz	ULWSQGZZCPOFQM-UNNPPQAFSA-N	1	1	352.519	2.201	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C	ZINC000796690684	683186171	/nfs/dbraw/zinc/18/61/71/683186171.db2.gz	VKXCGKPGAJKWMS-GJZGRUSLSA-N	1	1	350.459	2.273	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)C1=O	ZINC000799145858	683427639	/nfs/dbraw/zinc/42/76/39/683427639.db2.gz	OLBQOWZWWPNBLX-XHSDSOJGSA-N	1	1	351.491	2.399	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)c2cccc(Br)c2)C1=O	ZINC000799175990	683433665	/nfs/dbraw/zinc/43/36/65/683433665.db2.gz	AAJRYHLLQNRVDD-CABCVRRESA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)c2cccc(Br)c2)C1=O	ZINC000799175990	683433671	/nfs/dbraw/zinc/43/36/71/683433671.db2.gz	AAJRYHLLQNRVDD-CABCVRRESA-N	1	1	353.260	2.201	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@H+]1C	ZINC000928428054	683449174	/nfs/dbraw/zinc/44/91/74/683449174.db2.gz	MCUROOAYVXOUMJ-ILXRZTDVSA-N	1	1	352.479	2.172	20	30		FEEDMO
Fc1ccc(C2OCCO2)c(Cl)c1C=NNCCC[NH+]1CCOCC1	ZINC000799490336	683460156	/nfs/dbraw/zinc/46/01/56/683460156.db2.gz	ZBEWVXHZSCTASX-UHFFFAOYSA-N	1	1	371.840	2.170	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@H+](CCCC)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000929971244	683662974	/nfs/dbraw/zinc/66/29/74/683662974.db2.gz	OCRKQCABTGSVNE-GOSISDBHSA-N	1	1	362.495	2.286	20	30		FEEDMO
CC1(C)Oc2ccsc2[C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@H]1O	ZINC000930549796	683750175	/nfs/dbraw/zinc/75/01/75/683750175.db2.gz	YJFVOFMHZCBDPI-DOTOQJQBSA-N	1	1	357.435	2.421	20	30		FEEDMO
C[N@H+](Cc1ccc(Br)nc1N)C[C@@H](O)c1cccc(C#N)c1	ZINC000930845374	683792077	/nfs/dbraw/zinc/79/20/77/683792077.db2.gz	OXBPEDSUCLHDTO-CQSZACIVSA-N	1	1	361.243	2.463	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1	ZINC000931144622	683841166	/nfs/dbraw/zinc/84/11/66/683841166.db2.gz	YTMOUWQKBZURRD-GFCCVEGCSA-N	1	1	356.344	2.372	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1	ZINC000931150413	683842277	/nfs/dbraw/zinc/84/22/77/683842277.db2.gz	CYKMNFYRGHQZIK-HNNXBMFYSA-N	1	1	363.255	2.015	20	30		FEEDMO
C=C(Cl)C[C@@H]1NC(=O)N(c2ccc(CC[NH+]3CCOCC3)cc2)C1=O	ZINC000864554297	683867307	/nfs/dbraw/zinc/86/73/07/683867307.db2.gz	GTMISFGTXFXKHD-INIZCTEOSA-N	1	1	363.845	2.129	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[N@H+](CC)C1	ZINC000864961548	683914607	/nfs/dbraw/zinc/91/46/07/683914607.db2.gz	BQPCBTGMWHFKDK-KGLIPLIRSA-N	1	1	359.898	2.480	20	30		FEEDMO
C=C(Cl)C[C@H]1NC(=O)N(Cc2cccc(C[NH+]3CCOCC3)c2)C1=O	ZINC000865299164	683963485	/nfs/dbraw/zinc/96/34/85/683963485.db2.gz	TVAWOBIOTLUCGF-MRXNPFEDSA-N	1	1	363.845	2.082	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(F)cc(C#N)c1)c1ccsc1	ZINC000866469163	684108386	/nfs/dbraw/zinc/10/83/86/684108386.db2.gz	OOMFJNYHRUNTGJ-HNNXBMFYSA-N	1	1	353.444	2.340	20	30		FEEDMO
Cn1[nH]c(=O)c2c1C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2	ZINC000931196627	684239278	/nfs/dbraw/zinc/23/92/78/684239278.db2.gz	KIXQQNMLTCZXSA-UHFFFAOYSA-N	1	1	359.817	2.038	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1	ZINC000931441095	684283564	/nfs/dbraw/zinc/28/35/64/684283564.db2.gz	NQWZDTNSOGCKGY-MELADBBJSA-N	1	1	358.511	2.319	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccnc(Br)c2C)C1	ZINC000931550218	684301594	/nfs/dbraw/zinc/30/15/94/684301594.db2.gz	UGLGRKYBANSFKY-GFCCVEGCSA-N	1	1	351.248	2.372	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccnc(Br)c2C)C1	ZINC000931550218	684301599	/nfs/dbraw/zinc/30/15/99/684301599.db2.gz	UGLGRKYBANSFKY-GFCCVEGCSA-N	1	1	351.248	2.372	20	30		FEEDMO
N#Cc1cc(F)cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1	ZINC000867539332	684308858	/nfs/dbraw/zinc/30/88/58/684308858.db2.gz	CWPJFLFIGHACNG-AWEZNQCLSA-N	1	1	351.447	2.098	20	30		FEEDMO
C[NH+](C)C1(C)CCC(NS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000867742974	684370151	/nfs/dbraw/zinc/37/01/51/684370151.db2.gz	DCTRNYVBFJRTRO-UHFFFAOYSA-N	1	1	357.426	2.378	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)C1	ZINC000932086737	684404763	/nfs/dbraw/zinc/40/47/63/684404763.db2.gz	JBWBUSCWIKCKJF-VIFPVBQESA-N	1	1	363.771	2.311	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)C1	ZINC000932086737	684404766	/nfs/dbraw/zinc/40/47/66/684404766.db2.gz	JBWBUSCWIKCKJF-VIFPVBQESA-N	1	1	363.771	2.311	20	30		FEEDMO
C=CCCC[C@@H]1NC(=O)N([C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)C1=O	ZINC000924630981	684476025	/nfs/dbraw/zinc/47/60/25/684476025.db2.gz	CKWYCEVTEOGDMW-ULQDDVLXSA-N	1	1	351.491	2.400	20	30		FEEDMO
C#CC[C@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1	ZINC000877605172	686420870	/nfs/dbraw/zinc/42/08/70/686420870.db2.gz	OKXOXHWWDGVCTG-LBPRGKRZSA-N	1	1	371.300	2.332	20	30		FEEDMO
C#CC[C@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1	ZINC000877605172	686420873	/nfs/dbraw/zinc/42/08/73/686420873.db2.gz	OKXOXHWWDGVCTG-LBPRGKRZSA-N	1	1	371.300	2.332	20	30		FEEDMO
C=CCC[C@H](O)C[N@@H+]1C[C@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880221782	687019049	/nfs/dbraw/zinc/01/90/49/687019049.db2.gz	RMLOROALPZYAFR-TXPKVOOTSA-N	1	1	354.491	2.414	20	30		FEEDMO
CO[C@H]1COCC[C@@H]1[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000880423059	687046335	/nfs/dbraw/zinc/04/63/35/687046335.db2.gz	BJJBUNGNWNZXPB-IRXDYDNUSA-N	1	1	365.861	2.322	20	30		FEEDMO
CO[C@H]1COCC[C@@H]1[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000880423059	687046337	/nfs/dbraw/zinc/04/63/37/687046337.db2.gz	BJJBUNGNWNZXPB-IRXDYDNUSA-N	1	1	365.861	2.322	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2nc(C)cs2)C1	ZINC000886696348	688291653	/nfs/dbraw/zinc/29/16/53/688291653.db2.gz	MPMPDOKHZBLOIK-KGLIPLIRSA-N	1	1	350.488	2.106	20	30		FEEDMO
N#Cc1sc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)nc1Cl	ZINC000888414171	688607592	/nfs/dbraw/zinc/60/75/92/688607592.db2.gz	OUZYTFYAPBOLPO-WDEREUQCSA-N	1	1	369.878	2.433	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)c1ccccc1Cl	ZINC000891551729	689076757	/nfs/dbraw/zinc/07/67/57/689076757.db2.gz	JLLOMKCHBDQUQP-RDJZCZTQSA-N	1	1	350.850	2.267	20	30		FEEDMO
N#Cc1ncn(CC[NH2+]Cc2c(F)c(Cl)ccc2Br)n1	ZINC000894419155	689528148	/nfs/dbraw/zinc/52/81/48/689528148.db2.gz	CPAKXHUNZAVXBQ-UHFFFAOYSA-N	1	1	358.602	2.495	20	30		FEEDMO
CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2csc(C#N)c2)CC1	ZINC000894958801	689629497	/nfs/dbraw/zinc/62/94/97/689629497.db2.gz	RYMOOARAMWOLTB-UHFFFAOYSA-N	1	1	351.472	2.471	20	30		FEEDMO
CCOc1c(Br)cc(C[NH2+][C@@H]2CCCN(O)C2=O)cc1OC	ZINC000895164516	689669870	/nfs/dbraw/zinc/66/98/70/689669870.db2.gz	DCSZNZFLICEKDM-GFCCVEGCSA-N	1	1	373.247	2.326	20	30		FEEDMO
N#Cc1cccc(-c2csc(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)n2)c1	ZINC000897171628	689984537	/nfs/dbraw/zinc/98/45/37/689984537.db2.gz	GNPZCACTZDNNBW-HNNXBMFYSA-N	1	1	354.435	2.341	20	30		FEEDMO
N#Cc1cccc(Br)c1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO	ZINC000897220109	689990093	/nfs/dbraw/zinc/99/00/93/689990093.db2.gz	SNYHYWVVYBKBBJ-CABCVRRESA-N	1	1	350.260	2.356	20	30		FEEDMO
N#Cc1cccc(Br)c1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000897220109	689990095	/nfs/dbraw/zinc/99/00/95/689990095.db2.gz	SNYHYWVVYBKBBJ-CABCVRRESA-N	1	1	350.260	2.356	20	30		FEEDMO
O=C(CCCC[NH+]1CCOCC1)NCC(F)(C(F)(F)F)C(F)(F)F	ZINC000899097403	690303285	/nfs/dbraw/zinc/30/32/85/690303285.db2.gz	XOHJYQVAQVYYCO-UHFFFAOYSA-N	1	1	368.293	2.438	20	30		FEEDMO
C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cc(C#N)ccn1	ZINC000902953732	690823682	/nfs/dbraw/zinc/82/36/82/690823682.db2.gz	JCBOHDRQSDLBNA-AWEZNQCLSA-N	1	1	356.451	2.344	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cnn(CC3CCC3)c2)cc1	ZINC000905641222	691155270	/nfs/dbraw/zinc/15/52/70/691155270.db2.gz	RKMSAGIGSYJNPF-UHFFFAOYSA-N	1	1	358.467	2.118	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)c2ccsc2C#N)c2cccs2)CC1	ZINC000906671175	691299634	/nfs/dbraw/zinc/29/96/34/691299634.db2.gz	OKQVOLBJQSPRBS-AWEZNQCLSA-N	1	1	360.508	2.400	20	30		FEEDMO
Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)S(=O)(=O)CCCC#N)C2)s1	ZINC000907347925	691458841	/nfs/dbraw/zinc/45/88/41/691458841.db2.gz	XQIDMPOTYJQGDG-HNNXBMFYSA-N	1	1	355.529	2.444	20	30		FEEDMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccsc1C#N	ZINC000907554779	691518242	/nfs/dbraw/zinc/51/82/42/691518242.db2.gz	QUNLHDXOEVZZTL-IBGZPJMESA-N	1	1	355.463	2.329	20	30		FEEDMO
CSc1nc(-c2ccccc2)nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1C#N	ZINC001164671514	719408396	/nfs/dbraw/zinc/40/83/96/719408396.db2.gz	PWRWXVSCUFWGOS-CVEARBPZSA-N	1	1	367.478	2.256	20	30		FEEDMO
Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1C#N	ZINC001164744946	720620547	/nfs/dbraw/zinc/62/05/47/720620547.db2.gz	SJZPNIRRPQRLCP-KGLIPLIRSA-N	1	1	370.844	2.047	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)c(F)cc4C#N)C[C@@H]3C2)cn1	ZINC001164771670	721074464	/nfs/dbraw/zinc/07/44/64/721074464.db2.gz	SSDBGVLUXBXRFE-ZFWWWQNUSA-N	1	1	374.851	2.438	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Cl)cc(C#N)n4)C[C@@H]3C2)cn1	ZINC001164764864	721112586	/nfs/dbraw/zinc/11/25/86/721112586.db2.gz	IGPDLYWSYDTBSU-GJZGRUSLSA-N	1	1	356.861	2.298	20	30		FEEDMO
C=CCOc1cc(C)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1	ZINC001164769909	721138277	/nfs/dbraw/zinc/13/82/77/721138277.db2.gz	PZLTUMGWYZNNGK-QZTJIDSGSA-N	1	1	368.485	2.042	20	30		FEEDMO
Cc1ccc(CC#N)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164877640	721157110	/nfs/dbraw/zinc/15/71/10/721157110.db2.gz	PKRQYJKBGIVVNL-WOJBJXKFSA-N	1	1	363.465	2.331	20	30		FEEDMO
Cc1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ccc1C#N	ZINC001164884026	721422542	/nfs/dbraw/zinc/42/25/42/721422542.db2.gz	CZNAEXZVNXBMDZ-FPOVZHCZSA-N	1	1	369.513	2.027	20	30		FEEDMO
COc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1C#N	ZINC001164897314	721510435	/nfs/dbraw/zinc/51/04/35/721510435.db2.gz	FRHFPGRRXUPYGE-SJLPKXTDSA-N	1	1	368.412	2.443	20	30		FEEDMO
N#Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164897122	721520540	/nfs/dbraw/zinc/52/05/40/721520540.db2.gz	DSHHFENLLMTUJW-UKRRQHHQSA-N	1	1	373.819	2.483	20	30		FEEDMO
C=CC[NH+]1CCN(c2nccc(-c3cnc(N4CCCCC4)nc3)n2)CC1	ZINC001165032222	721868186	/nfs/dbraw/zinc/86/81/86/721868186.db2.gz	MFZRMVXKWNYFJD-UHFFFAOYSA-N	1	1	365.485	2.232	20	30		FEEDMO
N#Cc1ccc(NCC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc1	ZINC000497879192	887706408	/nfs/dbraw/zinc/70/64/08/887706408.db2.gz	CFDDLDXMTUHFHY-IBGZPJMESA-N	1	1	363.465	2.046	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000021405216	539682984	/nfs/dbraw/zinc/68/29/84/539682984.db2.gz	SODLWVBTKJBAOK-NRFANRHFSA-N	1	1	367.497	2.120	20	30		FEEDMO
N#Cc1ccc(CN2CC[NH+](C[C@H](O)COc3ccccc3F)CC2)cc1	ZINC000025226459	539751586	/nfs/dbraw/zinc/75/15/86/539751586.db2.gz	NWFYPGCUZQHUDM-IBGZPJMESA-N	1	1	369.440	2.255	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000028322767	539830183	/nfs/dbraw/zinc/83/01/83/539830183.db2.gz	OLFUJKQEXWYWGT-HNNXBMFYSA-N	1	1	355.463	2.283	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1	ZINC000028322767	539830186	/nfs/dbraw/zinc/83/01/86/539830186.db2.gz	OLFUJKQEXWYWGT-HNNXBMFYSA-N	1	1	355.463	2.283	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1	ZINC000028322777	539829905	/nfs/dbraw/zinc/82/99/05/539829905.db2.gz	FBTCUPVSCXPDCA-HNNXBMFYSA-N	1	1	355.463	2.283	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1	ZINC000028322777	539829909	/nfs/dbraw/zinc/82/99/09/539829909.db2.gz	FBTCUPVSCXPDCA-HNNXBMFYSA-N	1	1	355.463	2.283	20	30		FEEDMO
N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[NH+]1CCCC1)CCCC2	ZINC000029692308	539861209	/nfs/dbraw/zinc/86/12/09/539861209.db2.gz	FMIUEMIANUOUIJ-OAHLLOKOSA-N	1	1	356.470	2.452	20	30		FEEDMO
CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000029723883	539862114	/nfs/dbraw/zinc/86/21/14/539862114.db2.gz	BLHRXEDMKTWNEU-IBGZPJMESA-N	1	1	353.422	2.388	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000041787278	540033116	/nfs/dbraw/zinc/03/31/16/540033116.db2.gz	PPDRIAQPWRDGLC-INIZCTEOSA-N	1	1	372.469	2.298	20	30		FEEDMO
CC(C)N(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000042147745	540053179	/nfs/dbraw/zinc/05/31/79/540053179.db2.gz	IVZDDFVZYQCYKS-INIZCTEOSA-N	1	1	362.518	2.296	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C(=O)N(C)C)CC1	ZINC000043784782	540109349	/nfs/dbraw/zinc/10/93/49/540109349.db2.gz	VGOMCQRUNSULSM-GFCCVEGCSA-N	1	1	362.861	2.339	20	30		FEEDMO
CCOC(=O)c1ccc(N2CC[NH+](Cc3cccc(C#N)c3)CC2)nc1	ZINC000046513845	540260285	/nfs/dbraw/zinc/26/02/85/540260285.db2.gz	DJXNGICBKISKDI-UHFFFAOYSA-N	1	1	350.422	2.452	20	30		FEEDMO
Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(C)c1	ZINC000047859870	540330986	/nfs/dbraw/zinc/33/09/86/540330986.db2.gz	GYXZFUDXTSBSPO-LJQANCHMSA-N	1	1	366.465	2.132	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1	ZINC000048732969	540372152	/nfs/dbraw/zinc/37/21/52/540372152.db2.gz	QKTXUQDYNOBYJT-CQSZACIVSA-N	1	1	360.801	2.162	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1	ZINC000051557193	540437551	/nfs/dbraw/zinc/43/75/51/540437551.db2.gz	FLOHARYKOFSISL-ROUUACIJSA-N	1	1	374.529	2.442	20	30		FEEDMO
CCCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000051801445	540444910	/nfs/dbraw/zinc/44/49/10/540444910.db2.gz	KUPCLHLFNZRQGH-UZLBHIALSA-N	1	1	364.534	2.448	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1	ZINC000052158251	540456252	/nfs/dbraw/zinc/45/62/52/540456252.db2.gz	OORAVHLCNOVCNH-FQEVSTJZSA-N	1	1	362.518	2.011	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(C(F)(F)F)c1	ZINC000053667205	540548073	/nfs/dbraw/zinc/54/80/73/540548073.db2.gz	FTIUXXIOKHXWIE-UONOGXRCSA-N	1	1	373.400	2.482	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1	ZINC000054183102	540573863	/nfs/dbraw/zinc/57/38/63/540573863.db2.gz	PGYDMDHKMBOURQ-IRXDYDNUSA-N	1	1	356.470	2.321	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000550624482	674102819	/nfs/dbraw/zinc/10/28/19/674102819.db2.gz	SEGWGFVWDCQCDW-LLVKDONJSA-N	1	1	352.847	2.331	20	30		FEEDMO
C[C@H]1CCC[N@@H+](Cc2ccc(CNS(=O)(=O)N(C)CCC#N)cc2)C1	ZINC000056058515	540698115	/nfs/dbraw/zinc/69/81/15/540698115.db2.gz	KFZQCEJVCREUMC-INIZCTEOSA-N	1	1	364.515	2.098	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1	ZINC000056562145	540733419	/nfs/dbraw/zinc/73/34/19/540733419.db2.gz	BZVULVXCZVWUQB-INIZCTEOSA-N	1	1	360.458	2.435	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)N3CCCCC3)CC2)c1	ZINC000063484388	541170638	/nfs/dbraw/zinc/17/06/38/541170638.db2.gz	HEDVPTKDYVWXOG-UHFFFAOYSA-N	1	1	369.469	2.110	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000064496526	541208349	/nfs/dbraw/zinc/20/83/49/541208349.db2.gz	SGLJFNRMNVEMMI-QBCQSORISA-N	1	1	359.470	2.381	20	30		FEEDMO
CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437583	541318309	/nfs/dbraw/zinc/31/83/09/541318309.db2.gz	VCZVILHLVOCYSB-SFHVURJKSA-N	1	1	355.486	2.256	20	30		FEEDMO
CC[C@H]1CCCCN1C(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437583	541318312	/nfs/dbraw/zinc/31/83/12/541318312.db2.gz	VCZVILHLVOCYSB-SFHVURJKSA-N	1	1	355.486	2.256	20	30		FEEDMO
N#CCNC(=O)CN1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1	ZINC000066492813	541327288	/nfs/dbraw/zinc/32/72/88/541327288.db2.gz	FVODZASHTIANRY-UHFFFAOYSA-N	1	1	372.469	2.312	20	30		FEEDMO
Cc1occc1C(=O)NC1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000066891654	541386689	/nfs/dbraw/zinc/38/66/89/541386689.db2.gz	TYRTVDZZFOQROH-VBKZILBWSA-N	1	1	374.485	2.225	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000067393298	541455005	/nfs/dbraw/zinc/45/50/05/541455005.db2.gz	AKPAZEXVSHULHF-MRXNPFEDSA-N	1	1	372.469	2.156	20	30		FEEDMO
CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000543765888	541657091	/nfs/dbraw/zinc/65/70/91/541657091.db2.gz	VSTKEZHGMMPGIQ-ZDUSSCGKSA-N	1	1	356.405	2.346	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000544637453	541798435	/nfs/dbraw/zinc/79/84/35/541798435.db2.gz	GWWWIOGILMNMOS-STQMWFEESA-N	1	1	356.405	2.439	20	30		FEEDMO
C[NH+](C)CC(=O)Nc1ccc(NC(=O)COc2ccccc2C#N)cc1	ZINC000073305196	541940475	/nfs/dbraw/zinc/94/04/75/541940475.db2.gz	PCCFMVRUBSFHFX-UHFFFAOYSA-N	1	1	352.394	2.076	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCc1cc(C#N)ccc1F	ZINC000074272214	542061933	/nfs/dbraw/zinc/06/19/33/542061933.db2.gz	YCFLLQRKOWMSBZ-LJHODMEESA-N	1	1	374.460	2.386	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1	ZINC000074311535	542067869	/nfs/dbraw/zinc/06/78/69/542067869.db2.gz	LBLTZYWNBLPHMY-RXVVDRJESA-N	1	1	352.434	2.280	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000077286569	542361734	/nfs/dbraw/zinc/36/17/34/542361734.db2.gz	KQFHGJFVBLVAKN-GOSISDBHSA-N	1	1	359.470	2.132	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000077655503	542405744	/nfs/dbraw/zinc/40/57/44/542405744.db2.gz	UHJGPYKSRIRGIZ-KRWDZBQOSA-N	1	1	357.454	2.280	20	30		FEEDMO
Cn1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000081510490	542661779	/nfs/dbraw/zinc/66/17/79/542661779.db2.gz	YEXDEMXSITZVRH-UHFFFAOYSA-N	1	1	351.454	2.314	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000083178416	542693851	/nfs/dbraw/zinc/69/38/51/542693851.db2.gz	QVLLYFLNSATHPG-HOTGVXAUSA-N	1	1	372.494	2.059	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000083178416	542693854	/nfs/dbraw/zinc/69/38/54/542693854.db2.gz	QVLLYFLNSATHPG-HOTGVXAUSA-N	1	1	372.494	2.059	20	30		FEEDMO
COc1cc(OC)cc([C@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)c1	ZINC000083403160	542696584	/nfs/dbraw/zinc/69/65/84/542696584.db2.gz	BPJZOFYGLVKFEI-VBKZILBWSA-N	1	1	357.454	2.302	20	30		FEEDMO
COc1cc(OC)cc([C@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)c1	ZINC000083403160	542696587	/nfs/dbraw/zinc/69/65/87/542696587.db2.gz	BPJZOFYGLVKFEI-VBKZILBWSA-N	1	1	357.454	2.302	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N(C)C[C@@H](C)C#N)C2)cc(OC)c1	ZINC000088679550	542754983	/nfs/dbraw/zinc/75/49/83/542754983.db2.gz	BESOTVNHYOEFCC-HOCLYGCPSA-N	1	1	360.458	2.079	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N(C)C[C@@H](C)C#N)C2)cc(OC)c1	ZINC000088679550	542754985	/nfs/dbraw/zinc/75/49/85/542754985.db2.gz	BESOTVNHYOEFCC-HOCLYGCPSA-N	1	1	360.458	2.079	20	30		FEEDMO
C=CCNc1ncc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)s1	ZINC000089961339	542777666	/nfs/dbraw/zinc/77/76/66/542777666.db2.gz	ODCPEICPFKIVAI-JKSUJKDBSA-N	1	1	372.494	2.106	20	30		FEEDMO
C=CCNc1ncc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)s1	ZINC000089961339	542777669	/nfs/dbraw/zinc/77/76/69/542777669.db2.gz	ODCPEICPFKIVAI-JKSUJKDBSA-N	1	1	372.494	2.106	20	30		FEEDMO
CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3cc(C#N)cs3)CC2)n1	ZINC000091867791	542829446	/nfs/dbraw/zinc/82/94/46/542829446.db2.gz	ZDDGZTWLSVYBSJ-ZDUSSCGKSA-N	1	1	361.471	2.418	20	30		FEEDMO
CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3cc(C#N)cs3)CC2)n1	ZINC000091867791	542829447	/nfs/dbraw/zinc/82/94/47/542829447.db2.gz	ZDDGZTWLSVYBSJ-ZDUSSCGKSA-N	1	1	361.471	2.418	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2cccc(Cl)c2)CC1	ZINC000092617222	542875653	/nfs/dbraw/zinc/87/56/53/542875653.db2.gz	UFFXVVULTMSIMB-GOSISDBHSA-N	1	1	362.905	2.464	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2cccc(Cl)c2)CC1	ZINC000092617222	542875655	/nfs/dbraw/zinc/87/56/55/542875655.db2.gz	UFFXVVULTMSIMB-GOSISDBHSA-N	1	1	362.905	2.464	20	30		FEEDMO
CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000092618916	542875829	/nfs/dbraw/zinc/87/58/29/542875829.db2.gz	JCNMLZZZNZRZQG-KSZLIROESA-N	1	1	366.575	2.285	20	30		FEEDMO
N#Cc1ccccc1N1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1	ZINC000101554797	543032330	/nfs/dbraw/zinc/03/23/30/543032330.db2.gz	LPXQUVGBQXDDJK-UHFFFAOYSA-N	1	1	374.444	2.367	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)C[C@H](C)O1	ZINC000103470116	543109554	/nfs/dbraw/zinc/10/95/54/543109554.db2.gz	GGKMXPJMHGUNHI-SCTDSRPQSA-N	1	1	370.497	2.460	20	30		FEEDMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000104075753	543123203	/nfs/dbraw/zinc/12/32/03/543123203.db2.gz	GENLSMUZYIPMNO-CHWSQXEVSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000104075753	543123205	/nfs/dbraw/zinc/12/32/05/543123205.db2.gz	GENLSMUZYIPMNO-CHWSQXEVSA-N	1	1	374.510	2.413	20	30		FEEDMO
COc1ccnc(N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)c1	ZINC000104719391	543139058	/nfs/dbraw/zinc/13/90/58/543139058.db2.gz	COBSDCGABWZDFZ-UHFFFAOYSA-N	1	1	371.466	2.174	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(OC(F)F)c(OCC)c1	ZINC000106052931	543187287	/nfs/dbraw/zinc/18/72/87/543187287.db2.gz	CYXITNLASVIOJX-UHFFFAOYSA-N	1	1	371.384	2.130	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(OC(F)F)c(OCC)c1	ZINC000106052931	543187290	/nfs/dbraw/zinc/18/72/90/543187290.db2.gz	CYXITNLASVIOJX-UHFFFAOYSA-N	1	1	371.384	2.130	20	30		FEEDMO
C=CCOc1ccccc1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000107284213	543265794	/nfs/dbraw/zinc/26/57/94/543265794.db2.gz	ZBLKZDUPXHJXQN-GOSISDBHSA-N	1	1	357.498	2.494	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CN2CCOCC2)cc1	ZINC000109819058	543340502	/nfs/dbraw/zinc/34/05/02/543340502.db2.gz	VGTVUAKFDHKYEP-LJQANCHMSA-N	1	1	356.470	2.074	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOc2ccc(Br)cc2C1	ZINC000802259016	674174462	/nfs/dbraw/zinc/17/44/62/674174462.db2.gz	RGHUHVOFWMOHOK-HNNXBMFYSA-N	1	1	363.255	2.268	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOc2ccc(Br)cc2C1	ZINC000802259016	674174465	/nfs/dbraw/zinc/17/44/65/674174465.db2.gz	RGHUHVOFWMOHOK-HNNXBMFYSA-N	1	1	363.255	2.268	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000111812355	543417219	/nfs/dbraw/zinc/41/72/19/543417219.db2.gz	LFROSNXLGWVVAO-IBGZPJMESA-N	1	1	374.529	2.323	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2CO)c1C#N	ZINC000112557147	543452783	/nfs/dbraw/zinc/45/27/83/543452783.db2.gz	KJPQQLLXKJPAKK-SFHVURJKSA-N	1	1	366.465	2.420	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2CO)c1C#N	ZINC000112557147	543452784	/nfs/dbraw/zinc/45/27/84/543452784.db2.gz	KJPQQLLXKJPAKK-SFHVURJKSA-N	1	1	366.465	2.420	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000112699604	543457959	/nfs/dbraw/zinc/45/79/59/543457959.db2.gz	YNMKKMVGSXCYPG-ROUUACIJSA-N	1	1	373.497	2.172	20	30		FEEDMO
C[C@H]([C@H](C)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1)S(C)(=O)=O	ZINC000113259027	543479903	/nfs/dbraw/zinc/47/99/03/543479903.db2.gz	BKASIFHWPVPXHY-NWDGAFQWSA-N	1	1	371.890	2.294	20	30		FEEDMO
C[C@H]([C@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1)S(C)(=O)=O	ZINC000113259027	543479907	/nfs/dbraw/zinc/47/99/07/543479907.db2.gz	BKASIFHWPVPXHY-NWDGAFQWSA-N	1	1	371.890	2.294	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1	ZINC000114200764	543507624	/nfs/dbraw/zinc/50/76/24/543507624.db2.gz	OYFCWRXVXJBZBP-INIZCTEOSA-N	1	1	367.453	2.268	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1	ZINC000114587392	543524706	/nfs/dbraw/zinc/52/47/06/543524706.db2.gz	PWVZQKLQHQLJRN-UYAOXDASSA-N	1	1	369.513	2.138	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@H](C)C1	ZINC000115274727	543557655	/nfs/dbraw/zinc/55/76/55/543557655.db2.gz	BRMFZICHDZOYPI-SJLPKXTDSA-N	1	1	359.470	2.190	20	30		FEEDMO
C=CC[C@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000117078953	543623409	/nfs/dbraw/zinc/62/34/09/543623409.db2.gz	GBKLAPIIQKWUCG-ARFHVFGLSA-N	1	1	359.470	2.315	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C	ZINC000118104032	543645653	/nfs/dbraw/zinc/64/56/53/543645653.db2.gz	CLUBPKPKCIDEQR-KBPBESRZSA-N	1	1	360.483	2.230	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H]2CC(N)=O)c1	ZINC000120572336	543682616	/nfs/dbraw/zinc/68/26/16/543682616.db2.gz	YQVVJXLQSNOKOQ-KRWDZBQOSA-N	1	1	356.470	2.280	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000121971560	543702104	/nfs/dbraw/zinc/70/21/04/543702104.db2.gz	VRKRVDWZZOHGTM-QAPCUYQASA-N	1	1	368.481	2.369	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1	ZINC000122235034	543705040	/nfs/dbraw/zinc/70/50/40/543705040.db2.gz	VKRCQOOKQRVVOK-UHFFFAOYSA-N	1	1	350.466	2.168	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[N@H+]1C	ZINC000123662617	543775655	/nfs/dbraw/zinc/77/56/55/543775655.db2.gz	MEKLWTSBHJVAAS-CRAIPNDOSA-N	1	1	366.469	2.097	20	30		FEEDMO
N#Cc1ccc2ncc(CNC3CC[NH+](CCc4ccncc4)CC3)n2c1	ZINC000123541349	543768370	/nfs/dbraw/zinc/76/83/70/543768370.db2.gz	ARQCZKCSNJNINJ-UHFFFAOYSA-N	1	1	360.465	2.398	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000124881233	543848491	/nfs/dbraw/zinc/84/84/91/543848491.db2.gz	XRAKLWJJAIZMQX-IYBDPMFKSA-N	1	1	362.470	2.489	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1	ZINC000125494145	543885347	/nfs/dbraw/zinc/88/53/47/543885347.db2.gz	MFANPLYCRUBIMU-HNNXBMFYSA-N	1	1	357.454	2.421	20	30		FEEDMO
C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1	ZINC000126273611	543927195	/nfs/dbraw/zinc/92/71/95/543927195.db2.gz	SBIUOBPXFCJHKZ-QZTJIDSGSA-N	1	1	366.527	2.312	20	30		FEEDMO
COC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000126675874	543950138	/nfs/dbraw/zinc/95/01/38/543950138.db2.gz	BLPZSRYIQXGQDG-LJQANCHMSA-N	1	1	356.470	2.201	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1	ZINC000129269742	544102503	/nfs/dbraw/zinc/10/25/03/544102503.db2.gz	OIJLNDYCCCSCIH-UHFFFAOYSA-N	1	1	357.498	2.382	20	30		FEEDMO
C=CCOc1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1	ZINC000129269742	544102506	/nfs/dbraw/zinc/10/25/06/544102506.db2.gz	OIJLNDYCCCSCIH-UHFFFAOYSA-N	1	1	357.498	2.382	20	30		FEEDMO
C=CCOc1ccc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1	ZINC000129269742	544102509	/nfs/dbraw/zinc/10/25/09/544102509.db2.gz	OIJLNDYCCCSCIH-UHFFFAOYSA-N	1	1	357.498	2.382	20	30		FEEDMO
C=CCn1c(SCCC[NH+]2CCN(C)CC2)nnc1-c1ccccn1	ZINC000131068658	544176056	/nfs/dbraw/zinc/17/60/56/544176056.db2.gz	PIJKNLXOPRLCSL-UHFFFAOYSA-N	1	1	358.515	2.256	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O	ZINC000131560409	544195639	/nfs/dbraw/zinc/19/56/39/544195639.db2.gz	OWDFZCACMVDHMJ-INIZCTEOSA-N	1	1	362.861	2.139	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OC[C@@H]2CCOC2)CC1	ZINC000131968014	544213618	/nfs/dbraw/zinc/21/36/18/544213618.db2.gz	JKTKCCLBSKUEBP-DLBZAZTESA-N	1	1	363.502	2.235	20	30		FEEDMO
CC[C@@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(N)=O	ZINC000133733706	544281424	/nfs/dbraw/zinc/28/14/24/544281424.db2.gz	QSABKEZIRGLVRY-LJQANCHMSA-N	1	1	359.474	2.274	20	30		FEEDMO
CC1CC[NH+](CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000135529209	544350961	/nfs/dbraw/zinc/35/09/61/544350961.db2.gz	ULJXCDODCYOKME-KRWDZBQOSA-N	1	1	372.494	2.130	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000136057095	544365480	/nfs/dbraw/zinc/36/54/80/544365480.db2.gz	KHNQISBEWZDOAX-HZSPNIEDSA-N	1	1	360.433	2.118	20	30		FEEDMO
CCOC(=O)C1([N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CCCCC1	ZINC000151209193	544517155	/nfs/dbraw/zinc/51/71/55/544517155.db2.gz	RFWTWTBBTDYTRC-KRWDZBQOSA-N	1	1	360.454	2.496	20	30		FEEDMO
CCOC(=O)C1([N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CCCCC1	ZINC000151209193	544517160	/nfs/dbraw/zinc/51/71/60/544517160.db2.gz	RFWTWTBBTDYTRC-KRWDZBQOSA-N	1	1	360.454	2.496	20	30		FEEDMO
C=CCSCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000151247488	544521144	/nfs/dbraw/zinc/52/11/44/544521144.db2.gz	ATRALNLPMVOZNF-QZTJIDSGSA-N	1	1	363.527	2.088	20	30		FEEDMO
C[C@@H](C(=O)N[C@H]1CCCN(c2ccccc2C#N)C1)[NH+]1CCSCC1	ZINC000152408503	544649574	/nfs/dbraw/zinc/64/95/74/544649574.db2.gz	BKXUBXWGCPNVBR-RDJZCZTQSA-N	1	1	358.511	2.081	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1	ZINC000152668360	544681574	/nfs/dbraw/zinc/68/15/74/544681574.db2.gz	WBGJWORAYXJFSG-CYBMUJFWSA-N	1	1	362.499	2.213	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1	ZINC000152668360	544681579	/nfs/dbraw/zinc/68/15/79/544681579.db2.gz	WBGJWORAYXJFSG-CYBMUJFWSA-N	1	1	362.499	2.213	20	30		FEEDMO
CCO[C@H]1C[C@H](O)C12CC[NH+](CC(=O)N(CCC#N)c1ccccc1)CC2	ZINC000152959586	544716660	/nfs/dbraw/zinc/71/66/60/544716660.db2.gz	ORBQCMOXZDFWCL-OALUTQOASA-N	1	1	371.481	2.185	20	30		FEEDMO
CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC(=O)N(CCC#N)c1ccccc1)CC2	ZINC000152959690	544716736	/nfs/dbraw/zinc/71/67/36/544716736.db2.gz	ORBQCMOXZDFWCL-RTBURBONSA-N	1	1	371.481	2.185	20	30		FEEDMO
C[N@@H+](CCCc1nc(-c2cccs2)no1)CCCc1[nH]nc(N)c1C#N	ZINC000153316835	544760535	/nfs/dbraw/zinc/76/05/35/544760535.db2.gz	DVMVCLWBAOWBEX-UHFFFAOYSA-N	1	1	371.470	2.472	20	30		FEEDMO
CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000153321156	544761913	/nfs/dbraw/zinc/76/19/13/544761913.db2.gz	JEXYMZFIPGGWQY-CYBMUJFWSA-N	1	1	370.457	2.154	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[N@H+]1CCC[C@@H](C)C1	ZINC000154511862	544916200	/nfs/dbraw/zinc/91/62/00/544916200.db2.gz	UCHXRLDOWJZISS-OLZOCXBDSA-N	1	1	362.861	2.387	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1cccc(Br)c1C#N)[N@@H+](C)C1CC1	ZINC000553479822	674264837	/nfs/dbraw/zinc/26/48/37/674264837.db2.gz	PDYNFNQASPKOMQ-JTQLQIEISA-N	1	1	372.288	2.082	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1	ZINC000189632558	328159241	/nfs/dbraw/zinc/15/92/41/328159241.db2.gz	JDKSPEYJWCZQDD-UHFFFAOYSA-N	1	1	367.453	2.368	20	30		FEEDMO
CC(C)C[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000189826399	328170085	/nfs/dbraw/zinc/17/00/85/328170085.db2.gz	NCCXMNTYZDDMDD-INIZCTEOSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC(C)C[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000189826399	328170086	/nfs/dbraw/zinc/17/00/86/328170086.db2.gz	NCCXMNTYZDDMDD-INIZCTEOSA-N	1	1	362.861	2.387	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1	ZINC000190003697	328181729	/nfs/dbraw/zinc/18/17/29/328181729.db2.gz	LYELFEBJBUJBBO-APWZRJJASA-N	1	1	358.486	2.223	20	30		FEEDMO
CS(=O)(=O)Nc1cccc2c1CC[N@H+](CCOc1ccc(C#N)cc1)C2	ZINC000193797806	328395882	/nfs/dbraw/zinc/39/58/82/328395882.db2.gz	KBXDAQUHWRLIFS-UHFFFAOYSA-N	1	1	371.462	2.367	20	30		FEEDMO
CS(=O)(=O)Nc1cccc2c1CC[N@@H+](CCOc1ccc(C#N)cc1)C2	ZINC000193797806	328395884	/nfs/dbraw/zinc/39/58/84/328395884.db2.gz	KBXDAQUHWRLIFS-UHFFFAOYSA-N	1	1	371.462	2.367	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)N2CC[NH+](CCOC(C)C)CC2)c(C#N)c1C	ZINC000081637597	325190705	/nfs/dbraw/zinc/19/07/05/325190705.db2.gz	NZCUWQVUVFLTFA-HNNXBMFYSA-N	1	1	362.474	2.138	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000083537917	325218644	/nfs/dbraw/zinc/21/86/44/325218644.db2.gz	KXDGUYWYQWFQGE-NSHDSACASA-N	1	1	361.389	2.197	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc(C#N)cs3)CC2)CC1	ZINC000084109103	325228080	/nfs/dbraw/zinc/22/80/80/325228080.db2.gz	MQWGIMGAUNUKBT-UHFFFAOYSA-N	1	1	374.510	2.026	20	30		FEEDMO
CC(C)c1ccccc1OC[C@@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943778	325344327	/nfs/dbraw/zinc/34/43/27/325344327.db2.gz	GWFKRKDBPKTPOK-HNNXBMFYSA-N	1	1	371.485	2.291	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000118118006	326082804	/nfs/dbraw/zinc/08/28/04/326082804.db2.gz	RTEVXNVJCAVLII-AWEZNQCLSA-N	1	1	360.458	2.130	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000119070251	326123605	/nfs/dbraw/zinc/12/36/05/326123605.db2.gz	FKZDILMODWDDFW-UHFFFAOYSA-N	1	1	352.847	2.427	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000120503059	326264078	/nfs/dbraw/zinc/26/40/78/326264078.db2.gz	KZCGMASPKXWZKH-HUUCEWRRSA-N	1	1	360.458	2.264	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000120503059	326264079	/nfs/dbraw/zinc/26/40/79/326264079.db2.gz	KZCGMASPKXWZKH-HUUCEWRRSA-N	1	1	360.458	2.264	20	30		FEEDMO
CCC[C@@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@H+]1CCOC	ZINC000121918091	326375934	/nfs/dbraw/zinc/37/59/34/326375934.db2.gz	LQOWLKRKKNKPNZ-GOSISDBHSA-N	1	1	358.486	2.320	20	30		FEEDMO
CCC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCN1CCOC	ZINC000121918091	326375935	/nfs/dbraw/zinc/37/59/35/326375935.db2.gz	LQOWLKRKKNKPNZ-GOSISDBHSA-N	1	1	358.486	2.320	20	30		FEEDMO
CCC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCN1CCOC	ZINC000121918091	326375937	/nfs/dbraw/zinc/37/59/37/326375937.db2.gz	LQOWLKRKKNKPNZ-GOSISDBHSA-N	1	1	358.486	2.320	20	30		FEEDMO
CCC[C@H]1CN([C@H](C(=O)OC)c2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000121973474	326378845	/nfs/dbraw/zinc/37/88/45/326378845.db2.gz	PMFNESIECFCYMF-OALUTQOASA-N	1	1	359.470	2.205	20	30		FEEDMO
C[C@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)[NH+]1CCSCC1	ZINC000131845030	326582868	/nfs/dbraw/zinc/58/28/68/326582868.db2.gz	TXAILGUMDLNIGG-MRXNPFEDSA-N	1	1	358.511	2.034	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)C[NH+]1CCOCC1	ZINC000150718126	326666594	/nfs/dbraw/zinc/66/65/94/326666594.db2.gz	KGIHAXQQVWIGNT-LPHOPBHVSA-N	1	1	359.470	2.046	20	30		FEEDMO
CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2	ZINC000152825233	326717216	/nfs/dbraw/zinc/71/72/16/326717216.db2.gz	QDZXHSILDHSWTE-BMGDILEWSA-N	1	1	357.454	2.137	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000164212530	327066377	/nfs/dbraw/zinc/06/63/77/327066377.db2.gz	SHXRQYRIOJFWAE-HDICACEKSA-N	1	1	354.498	2.497	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cn1	ZINC000170821232	327100385	/nfs/dbraw/zinc/10/03/85/327100385.db2.gz	QHDJREHZCMPSIU-HNNXBMFYSA-N	1	1	362.480	2.130	20	30		FEEDMO
CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000173411696	327254108	/nfs/dbraw/zinc/25/41/08/327254108.db2.gz	ATBZTXXVDIXLCW-ZDUSSCGKSA-N	1	1	361.389	2.292	20	30		FEEDMO
CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000173411696	327254109	/nfs/dbraw/zinc/25/41/09/327254109.db2.gz	ATBZTXXVDIXLCW-ZDUSSCGKSA-N	1	1	361.389	2.292	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000173418035	327255045	/nfs/dbraw/zinc/25/50/45/327255045.db2.gz	DEEOOAQHGMSMNG-UHFFFAOYSA-N	1	1	366.469	2.375	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCCOc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000173800145	327284963	/nfs/dbraw/zinc/28/49/63/327284963.db2.gz	GNEXBFNDQAMZAS-IYBDPMFKSA-N	1	1	374.485	2.124	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCCOc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000173800145	327284964	/nfs/dbraw/zinc/28/49/64/327284964.db2.gz	GNEXBFNDQAMZAS-IYBDPMFKSA-N	1	1	374.485	2.124	20	30		FEEDMO
C[C@@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccc(C#N)cc1	ZINC000264518201	329031922	/nfs/dbraw/zinc/03/19/22/329031922.db2.gz	HDTRKXGLXZHIQM-XLIONFOSSA-N	1	1	369.513	2.431	20	30		FEEDMO
C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCOC1	ZINC000266563467	329236522	/nfs/dbraw/zinc/23/65/22/329236522.db2.gz	NFQSKGAZLGZIEQ-VQIMIIECSA-N	1	1	356.470	2.201	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000267289187	329310859	/nfs/dbraw/zinc/31/08/59/329310859.db2.gz	QWOBMMPFGCJPNF-BEFAXECRSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CNC(=O)C2)CC1	ZINC000267842310	329362095	/nfs/dbraw/zinc/36/20/95/329362095.db2.gz	UTPFSWPUDHKACA-GFCCVEGCSA-N	1	1	360.845	2.141	20	30		FEEDMO
C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1nncn1C	ZINC000274024437	329909478	/nfs/dbraw/zinc/90/94/78/329909478.db2.gz	NBSPARKOBKVZRG-LLVKDONJSA-N	1	1	358.471	2.306	20	30		FEEDMO
N#Cc1cc(NCCCN2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-]	ZINC000274244711	329930282	/nfs/dbraw/zinc/93/02/82/329930282.db2.gz	VPCOXUKHANGGIH-UHFFFAOYSA-N	1	1	366.425	2.486	20	30		FEEDMO
CCn1nccc1CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000276288047	330137477	/nfs/dbraw/zinc/13/74/77/330137477.db2.gz	HDBGTLOPMJCZNU-UHFFFAOYSA-N	1	1	366.425	2.387	20	30		FEEDMO
CC(C)(C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(F)cc(C#N)c1	ZINC000367210148	330230585	/nfs/dbraw/zinc/23/05/85/330230585.db2.gz	AIWXLUWNJZIAPD-ROUUACIJSA-N	1	1	359.445	2.033	20	30		FEEDMO
C#CCCCS(=O)(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C	ZINC000805135376	674321965	/nfs/dbraw/zinc/32/19/65/674321965.db2.gz	RWQCVLISXLEOOU-GOSISDBHSA-N	1	1	352.500	2.409	20	30		FEEDMO
N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1	ZINC000555416299	674360368	/nfs/dbraw/zinc/36/03/68/674360368.db2.gz	OOWRSUNXYXMUND-MRXNPFEDSA-N	1	1	360.483	2.145	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000155621969	545550234	/nfs/dbraw/zinc/55/02/34/545550234.db2.gz	QEKARPHEKYAXIL-IEBWSBKVSA-N	1	1	357.502	2.289	20	30		FEEDMO
CCN(CC)C(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000477281868	561141111	/nfs/dbraw/zinc/14/11/11/561141111.db2.gz	XFSDSBJFAMQCLJ-HNNXBMFYSA-N	1	1	356.470	2.466	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000156499049	545631520	/nfs/dbraw/zinc/63/15/20/545631520.db2.gz	WQDKSDCTDOGWJK-CQSZACIVSA-N	1	1	374.510	2.237	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000156585672	545637258	/nfs/dbraw/zinc/63/72/58/545637258.db2.gz	RIPVYZQVGQJEGZ-JSGCOSHPSA-N	1	1	362.861	2.339	20	30		FEEDMO
CCc1ccc(C[NH+]2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)s1	ZINC000156801320	545662091	/nfs/dbraw/zinc/66/20/91/545662091.db2.gz	STKANBRUDURCBD-LJQANCHMSA-N	1	1	362.543	2.483	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1	ZINC000160628104	546058330	/nfs/dbraw/zinc/05/83/30/546058330.db2.gz	BWXXUKOTZGDTIP-RPJKTVKLSA-N	1	1	367.449	2.032	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccsc1	ZINC000478855040	561176204	/nfs/dbraw/zinc/17/62/04/561176204.db2.gz	LRUIHHYBBASRJH-INIZCTEOSA-N	1	1	367.471	2.481	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C)ccc1Cl	ZINC000162806295	546141616	/nfs/dbraw/zinc/14/16/16/546141616.db2.gz	UCRVCDYTGFGETJ-MRXNPFEDSA-N	1	1	364.877	2.385	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)CC1	ZINC000162786344	546141981	/nfs/dbraw/zinc/14/19/81/546141981.db2.gz	NTVNDWVFLZRKDI-UHFFFAOYSA-N	1	1	355.482	2.130	20	30		FEEDMO
CN(C)C(=[NH2+])NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000170913737	546182829	/nfs/dbraw/zinc/18/28/29/546182829.db2.gz	VYVRHONXCAIBHK-UHFFFAOYSA-N	1	1	357.424	2.094	20	30		FEEDMO
C=CCSCCNC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000171667680	546218370	/nfs/dbraw/zinc/21/83/70/546218370.db2.gz	SZFOOJCPXJJCQX-CALCHBBNSA-N	1	1	354.564	2.106	20	30		FEEDMO
N#CCCCCNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000171740313	546223561	/nfs/dbraw/zinc/22/35/61/546223561.db2.gz	IQTVHQDZXUVWJY-UHFFFAOYSA-N	1	1	357.502	2.187	20	30		FEEDMO
N#CC1(NC(=O)c2ccc(C(N)=O)s2)CC[NH+](Cc2ccccc2)CC1	ZINC000479351750	561188048	/nfs/dbraw/zinc/18/80/48/561188048.db2.gz	WJTCXFDSXQBESC-UHFFFAOYSA-N	1	1	368.462	2.135	20	30		FEEDMO
C[C@H](CNC(=O)Nc1ccn(CCC#N)n1)[N@H+]1CCc2ccccc2C1	ZINC000173342158	546279096	/nfs/dbraw/zinc/27/90/96/546279096.db2.gz	OXSPGGPGJNQSJT-OAHLLOKOSA-N	1	1	352.442	2.365	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)[N@@H+]1CCc2sccc2C1	ZINC000173357276	546279376	/nfs/dbraw/zinc/27/93/76/546279376.db2.gz	DCQSABURGLOVOB-ZDUSSCGKSA-N	1	1	358.471	2.427	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)[N@H+]1CCc2sccc2C1	ZINC000173357276	546279378	/nfs/dbraw/zinc/27/93/78/546279378.db2.gz	DCQSABURGLOVOB-ZDUSSCGKSA-N	1	1	358.471	2.427	20	30		FEEDMO
COCCN1CCC([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1	ZINC000173644401	546284647	/nfs/dbraw/zinc/28/46/47/546284647.db2.gz	NJJNMVQWLLKOAD-GOSISDBHSA-N	1	1	372.513	2.331	20	30		FEEDMO
C#CCOc1ccc(F)cc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO	ZINC000173785832	546286457	/nfs/dbraw/zinc/28/64/57/546286457.db2.gz	IWIYVRPKQXGCSP-INIZCTEOSA-N	1	1	363.433	2.196	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)C1	ZINC000174505532	546297997	/nfs/dbraw/zinc/29/79/97/546297997.db2.gz	YZMKUJMMKKAIGR-DBWMJRBXSA-N	1	1	357.454	2.411	20	30		FEEDMO
CC(C)[C@H](CNC(=O)c1cccc(SCC#N)c1)N1CC[NH+](C)CC1	ZINC000175999318	546388336	/nfs/dbraw/zinc/38/83/36/546388336.db2.gz	SZIYGYJKWYSRFK-SFHVURJKSA-N	1	1	360.527	2.304	20	30		FEEDMO
C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1	ZINC000177683255	546666765	/nfs/dbraw/zinc/66/67/65/546666765.db2.gz	OCBAGQFFTXADJQ-KRWDZBQOSA-N	1	1	353.466	2.377	20	30		FEEDMO
CC(=O)N[C@H](C)C1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000481120935	561225714	/nfs/dbraw/zinc/22/57/14/561225714.db2.gz	RWDMRACZBXTTQD-CYBMUJFWSA-N	1	1	353.426	2.345	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000178042739	546728033	/nfs/dbraw/zinc/72/80/33/546728033.db2.gz	LYVMEBZUABEZJV-ZWKOTPCHSA-N	1	1	370.497	2.137	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1	ZINC000178333608	546777058	/nfs/dbraw/zinc/77/70/58/546777058.db2.gz	VBJINHJWWUQXBZ-UHFFFAOYSA-N	1	1	353.444	2.140	20	30		FEEDMO
COCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000179336576	546933619	/nfs/dbraw/zinc/93/36/19/546933619.db2.gz	DWKSHOAFWIQOFJ-HKUYNNGSSA-N	1	1	359.470	2.449	20	30		FEEDMO
COCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000179336576	546933622	/nfs/dbraw/zinc/93/36/22/546933622.db2.gz	DWKSHOAFWIQOFJ-HKUYNNGSSA-N	1	1	359.470	2.449	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)c1	ZINC000179549105	546975800	/nfs/dbraw/zinc/97/58/00/546975800.db2.gz	GFSFBFBFAYUTPT-IBGZPJMESA-N	1	1	362.433	2.450	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000481782579	561242160	/nfs/dbraw/zinc/24/21/60/561242160.db2.gz	YGLYBVZETQDAIJ-HZPDHXFCSA-N	1	1	363.527	2.499	20	30		FEEDMO
COc1ccnc(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)n1	ZINC000180014335	547038944	/nfs/dbraw/zinc/03/89/44/547038944.db2.gz	MYBUJQICPWUABE-UHFFFAOYSA-N	1	1	367.453	2.490	20	30		FEEDMO
C=CCNC(=O)CNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1	ZINC000180408538	547102872	/nfs/dbraw/zinc/10/28/72/547102872.db2.gz	DVQSJHMGMNQWNM-CALCHBBNSA-N	1	1	372.513	2.266	20	30		FEEDMO
CC[C@H](c1ccncc1)[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000181052171	547239139	/nfs/dbraw/zinc/23/91/39/547239139.db2.gz	VWKJVJNPTXDAPT-MOPGFXCFSA-N	1	1	357.502	2.157	20	30		FEEDMO
CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000181052171	547239143	/nfs/dbraw/zinc/23/91/43/547239143.db2.gz	VWKJVJNPTXDAPT-MOPGFXCFSA-N	1	1	357.502	2.157	20	30		FEEDMO
C=CCNC(=O)[C@H](C)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1	ZINC000181640538	547350435	/nfs/dbraw/zinc/35/04/35/547350435.db2.gz	BFQRYOQSJYGFEY-HOTGVXAUSA-N	1	1	362.493	2.309	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1C#N	ZINC000182082523	547434300	/nfs/dbraw/zinc/43/43/00/547434300.db2.gz	XKNKREISAIWNSQ-HUUCEWRRSA-N	1	1	360.458	2.264	20	30		FEEDMO
CCCC[N@@H+](CCCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000182150913	547444654	/nfs/dbraw/zinc/44/46/54/547444654.db2.gz	RQGSUJOBDPWZHT-UHFFFAOYSA-N	1	1	355.442	2.167	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@H]4CCCC[C@@H]43)CC2)o1	ZINC000182470068	547499027	/nfs/dbraw/zinc/49/90/27/547499027.db2.gz	XREVEUCDHSULFN-LESCRADOSA-N	1	1	371.485	2.014	20	30		FEEDMO
N#Cc1cc(F)c(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(F)c1	ZINC000183426867	547656889	/nfs/dbraw/zinc/65/68/89/547656889.db2.gz	HUBYLVDSLZGVFV-INIZCTEOSA-N	1	1	371.387	2.333	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC[C@H](C)C1	ZINC000484870196	561307459	/nfs/dbraw/zinc/30/74/59/561307459.db2.gz	ZLAMJYUTOIRLJZ-DOTOQJQBSA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CC[C@H](C)C1	ZINC000484870196	561307460	/nfs/dbraw/zinc/30/74/60/561307460.db2.gz	ZLAMJYUTOIRLJZ-DOTOQJQBSA-N	1	1	350.484	2.469	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC([N@@H+](C)CCCO)CC1	ZINC000184327637	547808215	/nfs/dbraw/zinc/80/82/15/547808215.db2.gz	BECPGENIXUGQCS-OAHLLOKOSA-N	1	1	360.458	2.288	20	30		FEEDMO
CC(C)OC(=O)C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000184498949	547837137	/nfs/dbraw/zinc/83/71/37/547837137.db2.gz	SLVIATURDDFWHL-MSOLQXFVSA-N	1	1	360.454	2.352	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+](CCO)CC2CCCCC2)cc1	ZINC000485876195	561330792	/nfs/dbraw/zinc/33/07/92/561330792.db2.gz	OISLFFHDKMEXPZ-UHFFFAOYSA-N	1	1	350.484	2.207	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+](CCO)CC2CCCCC2)cc1	ZINC000485876195	561330793	/nfs/dbraw/zinc/33/07/93/561330793.db2.gz	OISLFFHDKMEXPZ-UHFFFAOYSA-N	1	1	350.484	2.207	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C	ZINC000186755557	548186218	/nfs/dbraw/zinc/18/62/18/548186218.db2.gz	JNPNYGUCAGUGQZ-GJZGRUSLSA-N	1	1	360.458	2.286	20	30		FEEDMO
C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccc(F)c(F)c1	ZINC000187766202	548262712	/nfs/dbraw/zinc/26/27/12/548262712.db2.gz	KPCRHBBYRKMVOR-SGTLLEGYSA-N	1	1	365.424	2.297	20	30		FEEDMO
C=C(C)[C@@H]([NH2+]CC(=O)N(C)CC(=O)NCCC)c1ccc(F)c(F)c1	ZINC000187786518	548263558	/nfs/dbraw/zinc/26/35/58/548263558.db2.gz	OZYWVVLZEHFQDF-GOSISDBHSA-N	1	1	353.413	2.156	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1CC[N@H+](C[C@@H](C)O)C[C@H]1C	ZINC000189560250	548304767	/nfs/dbraw/zinc/30/47/67/548304767.db2.gz	RZKDRKCHTKICQT-HZPDHXFCSA-N	1	1	363.527	2.290	20	30		FEEDMO
CC(C)(O)C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1	ZINC000189903552	548314128	/nfs/dbraw/zinc/31/41/28/548314128.db2.gz	TZELOROVTNPLSJ-UHFFFAOYSA-N	1	1	368.399	2.408	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C	ZINC000193583107	548390357	/nfs/dbraw/zinc/39/03/57/548390357.db2.gz	XLGBONKMUWUMQG-IGCXYCKISA-N	1	1	360.483	2.134	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccsc2)CC1	ZINC000194313944	548464462	/nfs/dbraw/zinc/46/44/62/548464462.db2.gz	JVXXNHIUAPZZSY-MRXNPFEDSA-N	1	1	361.511	2.485	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccsc2)CC1	ZINC000194313944	548464466	/nfs/dbraw/zinc/46/44/66/548464466.db2.gz	JVXXNHIUAPZZSY-MRXNPFEDSA-N	1	1	361.511	2.485	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000487572511	561372138	/nfs/dbraw/zinc/37/21/38/561372138.db2.gz	LKDDXMMEEFTEOJ-OLMNPRSZSA-N	1	1	360.889	2.247	20	30		FEEDMO
CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000245408749	548910699	/nfs/dbraw/zinc/91/06/99/548910699.db2.gz	ISRPDHJCCUYNEM-PZJWPPBQSA-N	1	1	354.498	2.391	20	30		FEEDMO
CO[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1OC	ZINC000487939404	561379317	/nfs/dbraw/zinc/37/93/17/561379317.db2.gz	ASEVNXZQICVJBN-QRQLOZEOSA-N	1	1	359.470	2.284	20	30		FEEDMO
CO[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1OC	ZINC000487939404	561379318	/nfs/dbraw/zinc/37/93/18/561379318.db2.gz	ASEVNXZQICVJBN-QRQLOZEOSA-N	1	1	359.470	2.284	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3[C@H](C)C[C@H]4CCCC[C@H]43)CC2)o1	ZINC000245458940	548926472	/nfs/dbraw/zinc/92/64/72/548926472.db2.gz	VBVDCJIQJQCZRC-QGPMSJSTSA-N	1	1	371.485	2.156	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN2CC[N@@H+](C)[C@@H](C(C)C)C2)c(OC)c1	ZINC000487995901	561380876	/nfs/dbraw/zinc/38/08/76/561380876.db2.gz	BFIVFGZIPXPCLE-RTBURBONSA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCN(C)[C@@H](C(C)C)C2)c(OC)c1	ZINC000487995901	561380877	/nfs/dbraw/zinc/38/08/77/561380877.db2.gz	BFIVFGZIPXPCLE-RTBURBONSA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCN(C)[C@@H](C(C)C)C2)c(OC)c1	ZINC000487995901	561380878	/nfs/dbraw/zinc/38/08/78/561380878.db2.gz	BFIVFGZIPXPCLE-RTBURBONSA-N	1	1	362.514	2.435	20	30		FEEDMO
N#Cc1cccc(/C=C/C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1	ZINC000245586082	548952743	/nfs/dbraw/zinc/95/27/43/548952743.db2.gz	MIQAVCYYQOYODJ-FUCIWNSQSA-N	1	1	361.445	2.323	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1	ZINC000245714105	548981227	/nfs/dbraw/zinc/98/12/27/548981227.db2.gz	GPEDIHMMSIIKHG-LPHOPBHVSA-N	1	1	357.454	2.191	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](n2cncn2)C1	ZINC000245841412	549000987	/nfs/dbraw/zinc/00/09/87/549000987.db2.gz	ZDQQVHQHFMNABJ-IUODEOHRSA-N	1	1	358.833	2.467	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](n2cncn2)C1	ZINC000245841412	549000992	/nfs/dbraw/zinc/00/09/92/549000992.db2.gz	ZDQQVHQHFMNABJ-IUODEOHRSA-N	1	1	358.833	2.467	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)CC1	ZINC000245988148	549032034	/nfs/dbraw/zinc/03/20/34/549032034.db2.gz	HPVGNGJDZVZFJE-OKZBNKHCSA-N	1	1	364.559	2.039	20	30		FEEDMO
CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000246122766	549057741	/nfs/dbraw/zinc/05/77/41/549057741.db2.gz	DFKBFVHCEZDKNI-KBPBESRZSA-N	1	1	362.499	2.333	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](Cn2cncn2)C1	ZINC000246248509	549088466	/nfs/dbraw/zinc/08/84/66/549088466.db2.gz	KVNWMXPIMNEGKG-IEBWSBKVSA-N	1	1	356.470	2.159	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000246439100	549133760	/nfs/dbraw/zinc/13/37/60/549133760.db2.gz	KTWINEWCNGNQRE-LIRRHRJNSA-N	1	1	361.417	2.346	20	30		FEEDMO
CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[N@@H+]1C	ZINC000488640665	561393625	/nfs/dbraw/zinc/39/36/25/561393625.db2.gz	IORJOXYJOQDPHR-GOSISDBHSA-N	1	1	372.469	2.106	20	30		FEEDMO
CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[N@H+]1C	ZINC000488640665	561393626	/nfs/dbraw/zinc/39/36/26/561393626.db2.gz	IORJOXYJOQDPHR-GOSISDBHSA-N	1	1	372.469	2.106	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1	ZINC000246522797	549151937	/nfs/dbraw/zinc/15/19/37/549151937.db2.gz	IWOAARHBKFMFDJ-QFUCXCTJSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1	ZINC000246522797	549151938	/nfs/dbraw/zinc/15/19/38/549151938.db2.gz	IWOAARHBKFMFDJ-QFUCXCTJSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1	ZINC000246522797	549151940	/nfs/dbraw/zinc/15/19/40/549151940.db2.gz	IWOAARHBKFMFDJ-QFUCXCTJSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000246522797	549151941	/nfs/dbraw/zinc/15/19/41/549151941.db2.gz	IWOAARHBKFMFDJ-QFUCXCTJSA-N	1	1	355.482	2.247	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O	ZINC000246554923	549161276	/nfs/dbraw/zinc/16/12/76/549161276.db2.gz	YPYHNTUFIGNXRQ-WMZOPIPTSA-N	1	1	354.454	2.024	20	30		FEEDMO
CCOc1ccccc1OCC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000246736988	549200026	/nfs/dbraw/zinc/20/00/26/549200026.db2.gz	AUTJAAAJUDVLHN-MRXNPFEDSA-N	1	1	367.453	2.336	20	30		FEEDMO
CCOc1ccccc1OCC[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000246736988	549200032	/nfs/dbraw/zinc/20/00/32/549200032.db2.gz	AUTJAAAJUDVLHN-MRXNPFEDSA-N	1	1	367.453	2.336	20	30		FEEDMO
C=CCn1cccc1C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000488894418	561399043	/nfs/dbraw/zinc/39/90/43/561399043.db2.gz	CHUFZEXXFWLTHG-OAQYLSRUSA-N	1	1	353.466	2.383	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000248465699	549446618	/nfs/dbraw/zinc/44/66/18/549446618.db2.gz	ZNKFLEYHROHXQM-CVEARBPZSA-N	1	1	358.442	2.284	20	30		FEEDMO
COCC[N@@H+](Cc1scnc1C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000489444907	561411523	/nfs/dbraw/zinc/41/15/23/561411523.db2.gz	XMNHFXHONYDUCZ-MRXNPFEDSA-N	1	1	361.467	2.212	20	30		FEEDMO
COCC[N@H+](Cc1scnc1C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000489444907	561411524	/nfs/dbraw/zinc/41/15/24/561411524.db2.gz	XMNHFXHONYDUCZ-MRXNPFEDSA-N	1	1	361.467	2.212	20	30		FEEDMO
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000251578741	549648595	/nfs/dbraw/zinc/64/85/95/549648595.db2.gz	FCRQCYYCQOACSC-YQQAZPJKSA-N	1	1	372.469	2.043	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)[C@@](C)(N)c2ccc(Br)cc2)CC1	ZINC000261629411	549736567	/nfs/dbraw/zinc/73/65/67/549736567.db2.gz	BQFLQFBJYDIUQF-KRWDZBQOSA-N	1	1	366.303	2.390	20	30		FEEDMO
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)nc1	ZINC000263647053	549912370	/nfs/dbraw/zinc/91/23/70/549912370.db2.gz	AKZYLPJSRHEHOW-IEBWSBKVSA-N	1	1	368.462	2.258	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000264759251	550000820	/nfs/dbraw/zinc/00/08/20/550000820.db2.gz	PQPWWBNMYQOMPM-UHFFFAOYSA-N	1	1	371.466	2.342	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+](CCCO)[C@H]1CCc2ccccc21	ZINC000265041396	550005220	/nfs/dbraw/zinc/00/52/20/550005220.db2.gz	NIDASMIFYIMUQC-IBGZPJMESA-N	1	1	354.454	2.014	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C(C)C	ZINC000265118165	550006232	/nfs/dbraw/zinc/00/62/32/550006232.db2.gz	YRZBMDQXCFSHNY-BRWVUGGUSA-N	1	1	373.563	2.148	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1(C#N)CCCCC1	ZINC000265476218	550010015	/nfs/dbraw/zinc/01/00/15/550010015.db2.gz	QXDBOWMOLPZLOS-KRWDZBQOSA-N	1	1	355.486	2.182	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000267042032	550027367	/nfs/dbraw/zinc/02/73/67/550027367.db2.gz	JWZZZOTXKAHPMH-UHFFFAOYSA-N	1	1	360.458	2.156	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1	ZINC000268260343	550041011	/nfs/dbraw/zinc/04/10/11/550041011.db2.gz	KXSZJDCUJXOORJ-MSOLQXFVSA-N	1	1	353.422	2.356	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1	ZINC000268260343	550041013	/nfs/dbraw/zinc/04/10/13/550041013.db2.gz	KXSZJDCUJXOORJ-MSOLQXFVSA-N	1	1	353.422	2.356	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](CCO)Cc2cccnc2)c(OC)c1	ZINC000268689840	550104579	/nfs/dbraw/zinc/10/45/79/550104579.db2.gz	ORXMZTWJMGRUGF-IBGZPJMESA-N	1	1	372.465	2.053	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+]1CCOCC1	ZINC000269620879	550211657	/nfs/dbraw/zinc/21/16/57/550211657.db2.gz	CTDRINSPBXCKHI-GOSISDBHSA-N	1	1	356.470	2.203	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1	ZINC000270666589	550294978	/nfs/dbraw/zinc/29/49/78/550294978.db2.gz	OGBFYNNPRRMQKH-IBGZPJMESA-N	1	1	373.497	2.460	20	30		FEEDMO
N#CCc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1	ZINC000270862207	550314702	/nfs/dbraw/zinc/31/47/02/550314702.db2.gz	NEAOGIQLCXOUPE-NHCUHLMSSA-N	1	1	363.461	2.365	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4nc[nH]c4n3)CC2)cc1	ZINC000271288691	550361375	/nfs/dbraw/zinc/36/13/75/550361375.db2.gz	PSHYLSNHMXVIFN-UHFFFAOYSA-N	1	1	360.421	2.178	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4nc[nH]c4n3)CC2)cc1	ZINC000271288691	550361377	/nfs/dbraw/zinc/36/13/77/550361377.db2.gz	PSHYLSNHMXVIFN-UHFFFAOYSA-N	1	1	360.421	2.178	20	30		FEEDMO
C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(C)(C#N)CC1	ZINC000272617360	550461063	/nfs/dbraw/zinc/46/10/63/550461063.db2.gz	UBFBKSVLXPACQO-CYBMUJFWSA-N	1	1	372.425	2.120	20	30		FEEDMO
CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)Cc1ccccc1C(C)(C)C#N	ZINC000272779160	550470347	/nfs/dbraw/zinc/47/03/47/550470347.db2.gz	XTVGIXZAXHXILE-GOSISDBHSA-N	1	1	372.513	2.470	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH+]1CCC(CCCO)CC1	ZINC000272881128	550474741	/nfs/dbraw/zinc/47/47/41/550474741.db2.gz	CLAYIZBPUOEQOI-UHFFFAOYSA-N	1	1	367.453	2.167	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000274796777	550555022	/nfs/dbraw/zinc/55/50/22/550555022.db2.gz	DKPZWCWDUYHVKD-WSTZPKSXSA-N	1	1	356.514	2.495	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000274796777	550555023	/nfs/dbraw/zinc/55/50/23/550555023.db2.gz	DKPZWCWDUYHVKD-WSTZPKSXSA-N	1	1	356.514	2.495	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000275734611	550574030	/nfs/dbraw/zinc/57/40/30/550574030.db2.gz	VGJOAWPIHZHPSM-JKSUJKDBSA-N	1	1	356.470	2.475	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2C[C@H](CO)C[C@H](OCCOC)C2)cc1OC	ZINC000278647737	550807666	/nfs/dbraw/zinc/80/76/66/550807666.db2.gz	JNGAYBZKMCIJJE-MSOLQXFVSA-N	1	1	365.470	2.106	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CSc1ccc(C#N)cc1	ZINC000278847704	550828496	/nfs/dbraw/zinc/82/84/96/550828496.db2.gz	LRKHVIYSBFPVQO-HNNXBMFYSA-N	1	1	359.495	2.362	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(CNC(=O)C3)C2)sc2c1CCCC2	ZINC000278919339	550836184	/nfs/dbraw/zinc/83/61/84/550836184.db2.gz	RIMJQXGAZUWDEK-LJQANCHMSA-N	1	1	372.494	2.039	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000278982974	550843224	/nfs/dbraw/zinc/84/32/24/550843224.db2.gz	ZKHWDZNWUZQYJR-CQSZACIVSA-N	1	1	359.474	2.044	20	30		FEEDMO
CCOC(=O)c1ncn(C2CC[NH+](Cc3ccccc3C#N)CC2)c1N	ZINC000279235088	550868156	/nfs/dbraw/zinc/86/81/56/550868156.db2.gz	JMLNBLKRDWHDNE-UHFFFAOYSA-N	1	1	353.426	2.351	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccc(F)cc1)C1CCOCC1	ZINC000279304367	550875489	/nfs/dbraw/zinc/87/54/89/550875489.db2.gz	QQKLVOSBPCEEAF-UHFFFAOYSA-N	1	1	372.444	2.463	20	30		FEEDMO
CCOCCO[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000279357973	550881070	/nfs/dbraw/zinc/88/10/70/550881070.db2.gz	GXRMMAOGKATLIM-IBGZPJMESA-N	1	1	369.469	2.486	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)n1	ZINC000279610221	550908328	/nfs/dbraw/zinc/90/83/28/550908328.db2.gz	WVWNGFUJIKOVGT-SFHVURJKSA-N	1	1	359.518	2.416	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)CC2)o1	ZINC000280056639	550956867	/nfs/dbraw/zinc/95/68/67/550956867.db2.gz	WOBAZNDWTZYXNB-SJLPKXTDSA-N	1	1	371.485	2.014	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@]2(CCOC2)O1	ZINC000280163765	550966762	/nfs/dbraw/zinc/96/67/62/550966762.db2.gz	FLJJTZQEEHGBRF-OXQOHEQNSA-N	1	1	367.453	2.239	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@]2(CCOC2)O1	ZINC000280163765	550966764	/nfs/dbraw/zinc/96/67/64/550966764.db2.gz	FLJJTZQEEHGBRF-OXQOHEQNSA-N	1	1	367.453	2.239	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C	ZINC000280216561	550972253	/nfs/dbraw/zinc/97/22/53/550972253.db2.gz	ABPWDBFMBLYADG-BXUZGUMPSA-N	1	1	361.467	2.178	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)C1CC1	ZINC000280494423	551000208	/nfs/dbraw/zinc/00/02/08/551000208.db2.gz	MMYRKNFUOUKOSN-BBRMVZONSA-N	1	1	371.359	2.017	20	30		FEEDMO
CNc1nc(C)cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000280679942	551020443	/nfs/dbraw/zinc/02/04/43/551020443.db2.gz	CJWIWRRNCSQQEL-UHFFFAOYSA-N	1	1	364.453	2.047	20	30		FEEDMO
CNc1nc(C)cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000280679942	551020445	/nfs/dbraw/zinc/02/04/45/551020445.db2.gz	CJWIWRRNCSQQEL-UHFFFAOYSA-N	1	1	364.453	2.047	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@](C)(C(N)=O)C2)ccc1Cl	ZINC000280816006	551035162	/nfs/dbraw/zinc/03/51/62/551035162.db2.gz	UJEBVBTVDAQBHJ-SFHVURJKSA-N	1	1	362.861	2.092	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C1=O	ZINC000281382166	551090443	/nfs/dbraw/zinc/09/04/43/551090443.db2.gz	PGEPIPJUYAREMT-OAHLLOKOSA-N	1	1	365.861	2.396	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1	ZINC000281534161	551109862	/nfs/dbraw/zinc/10/98/62/551109862.db2.gz	WKRRNYDAOVGVLV-QRVBRYPASA-N	1	1	362.495	2.347	20	30		FEEDMO
C#C[C@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C	ZINC000281556792	551113015	/nfs/dbraw/zinc/11/30/15/551113015.db2.gz	OPPZGHBWDYBNHT-BQFCYCMXSA-N	1	1	371.481	2.008	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)[C@@H](CO)c2cccc(Br)c2)C1=O	ZINC000282130440	551184493	/nfs/dbraw/zinc/18/44/93/551184493.db2.gz	YQVNDQAGMHYQFC-CABCVRRESA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)[C@@H](CO)c2cccc(Br)c2)C1=O	ZINC000282130440	551184495	/nfs/dbraw/zinc/18/44/95/551184495.db2.gz	YQVNDQAGMHYQFC-CABCVRRESA-N	1	1	353.260	2.201	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000497397819	561500005	/nfs/dbraw/zinc/50/00/05/561500005.db2.gz	VDUSDALLVLEEHD-GPMSIDNRSA-N	1	1	350.507	2.058	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(=O)NCc1cccs1	ZINC000497390372	561500112	/nfs/dbraw/zinc/50/01/12/561500112.db2.gz	QQGXVNQCHBHMNV-UHFFFAOYSA-N	1	1	356.451	2.197	20	30		FEEDMO
C=CCn1c(-c2ccccc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000282302706	551208979	/nfs/dbraw/zinc/20/89/79/551208979.db2.gz	OUZQVKLPCXGPBJ-QGZVFWFLSA-N	1	1	353.470	2.290	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)N1CC[NH+](C)CC1	ZINC000282337519	551213675	/nfs/dbraw/zinc/21/36/75/551213675.db2.gz	XGTRAYXILQVTEA-NSHDSACASA-N	1	1	356.348	2.031	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)[C@@H]2C1	ZINC000282349318	551215345	/nfs/dbraw/zinc/21/53/45/551215345.db2.gz	PEULDMKIRVZPTR-IAQYHMDHSA-N	1	1	373.400	2.292	20	30		FEEDMO
C=CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCOCC)CC1	ZINC000282377768	551219628	/nfs/dbraw/zinc/21/96/28/551219628.db2.gz	UULXYQISCUMXMM-UHFFFAOYSA-N	1	1	371.485	2.298	20	30		FEEDMO
CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000282676580	551258657	/nfs/dbraw/zinc/25/86/57/551258657.db2.gz	OBENCKUFZOBAJH-LBPRGKRZSA-N	1	1	361.389	2.292	20	30		FEEDMO
CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000282676580	551258658	/nfs/dbraw/zinc/25/86/58/551258658.db2.gz	OBENCKUFZOBAJH-LBPRGKRZSA-N	1	1	361.389	2.292	20	30		FEEDMO
CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000283481576	551373918	/nfs/dbraw/zinc/37/39/18/551373918.db2.gz	HUIRRYMRPSVCEE-LLVKDONJSA-N	1	1	372.288	2.035	20	30		FEEDMO
CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000283481576	551373917	/nfs/dbraw/zinc/37/39/17/551373917.db2.gz	HUIRRYMRPSVCEE-LLVKDONJSA-N	1	1	372.288	2.035	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1	ZINC000283913400	551448920	/nfs/dbraw/zinc/44/89/20/551448920.db2.gz	IQINYNMNPYDAKH-AEFFLSMTSA-N	1	1	370.497	2.220	20	30		FEEDMO
C[N@H+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1	ZINC000283992909	551463807	/nfs/dbraw/zinc/46/38/07/551463807.db2.gz	DECKJOXSNPWHJV-NHCUHLMSSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1	ZINC000283992909	551463808	/nfs/dbraw/zinc/46/38/08/551463808.db2.gz	DECKJOXSNPWHJV-NHCUHLMSSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1	ZINC000283992909	551463810	/nfs/dbraw/zinc/46/38/10/551463810.db2.gz	DECKJOXSNPWHJV-NHCUHLMSSA-N	1	1	365.477	2.157	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1	ZINC000284644402	551597693	/nfs/dbraw/zinc/59/76/93/551597693.db2.gz	MAMSIMODXGPFQC-QGZVFWFLSA-N	1	1	370.497	2.145	20	30		FEEDMO
C[C@@H]1COCC[C@H]1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+]	ZINC000284978974	551682455	/nfs/dbraw/zinc/68/24/55/551682455.db2.gz	FTNHKQJZSTUZQM-KGLIPLIRSA-N	1	1	354.454	2.319	20	30		FEEDMO
C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCCCCC#N)CC[N@H+]1Cc1ccccc1	ZINC000286363157	551878863	/nfs/dbraw/zinc/87/88/63/551878863.db2.gz	CNGDKHZVZXXILS-HKUYNNGSSA-N	1	1	370.497	2.308	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C(N)=O	ZINC000286369346	551879408	/nfs/dbraw/zinc/87/94/08/551879408.db2.gz	YRKAZLPWKZFFHK-IUODEOHRSA-N	1	1	374.510	2.270	20	30		FEEDMO
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)o1	ZINC000286442950	551885912	/nfs/dbraw/zinc/88/59/12/551885912.db2.gz	HZVURXGMMZMNLM-DOTOQJQBSA-N	1	1	357.435	2.456	20	30		FEEDMO
C=CCCCNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000287175918	551973183	/nfs/dbraw/zinc/97/31/83/551973183.db2.gz	DQHKVNIUVFMAOX-YQQQUEKLSA-N	1	1	355.482	2.381	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1	ZINC000287344718	551992140	/nfs/dbraw/zinc/99/21/40/551992140.db2.gz	LDKGYSZALMEFNQ-MSOLQXFVSA-N	1	1	368.481	2.266	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(C#N)c1C	ZINC000287380837	551996718	/nfs/dbraw/zinc/99/67/18/551996718.db2.gz	MWOCJENALXWHQU-AWEZNQCLSA-N	1	1	360.483	2.119	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(C#N)c1C	ZINC000287380837	551996720	/nfs/dbraw/zinc/99/67/20/551996720.db2.gz	MWOCJENALXWHQU-AWEZNQCLSA-N	1	1	360.483	2.119	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NCC(C)(C)C#N)C2)cc(OC)c1	ZINC000499319975	561548835	/nfs/dbraw/zinc/54/88/35/561548835.db2.gz	ISCJBUJBKRQTMD-OAHLLOKOSA-N	1	1	360.458	2.127	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)NCC(C)(C)C#N)C2)cc(OC)c1	ZINC000499319975	561548836	/nfs/dbraw/zinc/54/88/36/561548836.db2.gz	ISCJBUJBKRQTMD-OAHLLOKOSA-N	1	1	360.458	2.127	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000287503151	552012681	/nfs/dbraw/zinc/01/26/81/552012681.db2.gz	UPQDNANVOCIGPH-QIIPPGSGSA-N	1	1	356.445	2.123	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000287740868	552040927	/nfs/dbraw/zinc/04/09/27/552040927.db2.gz	DLBTURHOVONDPD-YQQQUEKLSA-N	1	1	355.482	2.333	20	30		FEEDMO
CCOC(=O)CC(C)(C)CC[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000287756744	552042713	/nfs/dbraw/zinc/04/27/13/552042713.db2.gz	LZGVPRIGOINSSE-OAHLLOKOSA-N	1	1	359.474	2.228	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)Cc1ccc(C#N)cc1)Cc1ccc(F)cc1	ZINC000288380565	552143798	/nfs/dbraw/zinc/14/37/98/552143798.db2.gz	OXKCOFCTSDLGDQ-UHFFFAOYSA-N	1	1	361.442	2.249	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)Cc1ccc(C#N)cc1)Cc1ccc(F)cc1	ZINC000288380565	552143799	/nfs/dbraw/zinc/14/37/99/552143799.db2.gz	OXKCOFCTSDLGDQ-UHFFFAOYSA-N	1	1	361.442	2.249	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1	ZINC000288924331	552237101	/nfs/dbraw/zinc/23/71/01/552237101.db2.gz	MAUQBSOOOLNKEG-MAUKXSAKSA-N	1	1	368.481	2.037	20	30		FEEDMO
CC[C@@](C)(C#N)c1nc(-c2ccccc2C[N@@H+]2CCC[C@@H]2C(N)=O)no1	ZINC000289097331	552265249	/nfs/dbraw/zinc/26/52/49/552265249.db2.gz	PKEXWMSJLSNKIA-BEFAXECRSA-N	1	1	353.426	2.378	20	30		FEEDMO
CC[C@@](C)(C#N)c1nc(-c2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)no1	ZINC000289097331	552265251	/nfs/dbraw/zinc/26/52/51/552265251.db2.gz	PKEXWMSJLSNKIA-BEFAXECRSA-N	1	1	353.426	2.378	20	30		FEEDMO
COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1	ZINC000289175940	552277532	/nfs/dbraw/zinc/27/75/32/552277532.db2.gz	MVWMRSMYUSECPH-IBGZPJMESA-N	1	1	373.478	2.289	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)Nc3cc[nH+]c(N(C)C)c3)cc2C1=O	ZINC000500409206	561572140	/nfs/dbraw/zinc/57/21/40/561572140.db2.gz	FRQBJKAHDRCIBQ-UHFFFAOYSA-N	1	1	350.378	2.182	20	30		FEEDMO
C#CC[C@]1(C(=O)NCC2=CC[N@@H+](C)CC2)CCCN1C(=O)OC(C)(C)C	ZINC000289499516	552331398	/nfs/dbraw/zinc/33/13/98/552331398.db2.gz	SSKZOTXFIQTVFO-HXUWFJFHSA-N	1	1	361.486	2.158	20	30		FEEDMO
C=CCn1c(-c2cccnc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000289599342	552347535	/nfs/dbraw/zinc/34/75/35/552347535.db2.gz	IOAUBZXNFQJPOB-INIZCTEOSA-N	1	1	368.485	2.216	20	30		FEEDMO
C=CCn1c(SC[C@@H](O)C[N@H+](C)C2CC2)nc2sccc2c1=O	ZINC000290499289	552488891	/nfs/dbraw/zinc/48/88/91/552488891.db2.gz	ANKHHERHLQEBAL-LBPRGKRZSA-N	1	1	351.497	2.191	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000290565090	552499121	/nfs/dbraw/zinc/49/91/21/552499121.db2.gz	SJWOHDMIZDEJQJ-UHFFFAOYSA-N	1	1	372.400	2.209	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1	ZINC000501074309	561589149	/nfs/dbraw/zinc/58/91/49/561589149.db2.gz	FAGSSALUNFYOSG-LJQANCHMSA-N	1	1	357.498	2.494	20	30		FEEDMO
CC(C)[NH+]1CCN(C2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)CC1	ZINC000290963100	552569430	/nfs/dbraw/zinc/56/94/30/552569430.db2.gz	OQDLAWIDIKDOGK-UHFFFAOYSA-N	1	1	357.458	2.461	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](n2cccn2)C1	ZINC000291846927	552667689	/nfs/dbraw/zinc/66/76/89/552667689.db2.gz	OVGRBRBCQCLZJR-DLBZAZTESA-N	1	1	367.453	2.474	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](n2cccn2)C1	ZINC000291846927	552667691	/nfs/dbraw/zinc/66/76/91/552667691.db2.gz	OVGRBRBCQCLZJR-DLBZAZTESA-N	1	1	367.453	2.474	20	30		FEEDMO
C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1	ZINC000292063753	552689908	/nfs/dbraw/zinc/68/99/08/552689908.db2.gz	CEDKUWDFEMMJBX-KDOFPFPSSA-N	1	1	354.454	2.196	20	30		FEEDMO
C[C@H](C1CC1)N(C(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1	ZINC000292063753	552689909	/nfs/dbraw/zinc/68/99/09/552689909.db2.gz	CEDKUWDFEMMJBX-KDOFPFPSSA-N	1	1	354.454	2.196	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292158089	552699391	/nfs/dbraw/zinc/69/93/91/552699391.db2.gz	KRSDFJQUNURNBE-DNVCBOLYSA-N	1	1	360.433	2.145	20	30		FEEDMO
C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292158049	552699653	/nfs/dbraw/zinc/69/96/53/552699653.db2.gz	KRGRLWLBINJWKL-HOCLYGCPSA-N	1	1	370.478	2.215	20	30		FEEDMO
C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292158049	552699654	/nfs/dbraw/zinc/69/96/54/552699654.db2.gz	KRGRLWLBINJWKL-HOCLYGCPSA-N	1	1	370.478	2.215	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C2(CO)CCC2)c1C#N	ZINC000292218810	552705664	/nfs/dbraw/zinc/70/56/64/552705664.db2.gz	UWHNIVWDUOIABO-UHFFFAOYSA-N	1	1	370.453	2.403	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)c1cc2ccccc2o1	ZINC000292776772	552757742	/nfs/dbraw/zinc/75/77/42/552757742.db2.gz	KFMWHVMRVZQKEO-RHSMWYFYSA-N	1	1	363.421	2.339	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)c1cc2ccccc2o1	ZINC000292776772	552757743	/nfs/dbraw/zinc/75/77/43/552757743.db2.gz	KFMWHVMRVZQKEO-RHSMWYFYSA-N	1	1	363.421	2.339	20	30		FEEDMO
COc1nc(N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)ncc1Br	ZINC000292833143	552762672	/nfs/dbraw/zinc/76/26/72/552762672.db2.gz	OYNLLWQWDTXNOA-NWDGAFQWSA-N	1	1	366.263	2.062	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@@H](C)C1	ZINC000292839241	552763683	/nfs/dbraw/zinc/76/36/83/552763683.db2.gz	VOUBALNFMMGKFW-OXJNMPFZSA-N	1	1	372.513	2.491	20	30		FEEDMO
C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000292904269	552769829	/nfs/dbraw/zinc/76/98/29/552769829.db2.gz	WIOPMBYSSYSWHY-MRXNPFEDSA-N	1	1	353.875	2.318	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(SC)c(Cl)c1	ZINC000293322949	552811254	/nfs/dbraw/zinc/81/12/54/552811254.db2.gz	IVYSNXRNRHEUKD-UHFFFAOYSA-N	1	1	353.875	2.072	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(SC(F)F)c1	ZINC000293372056	552816824	/nfs/dbraw/zinc/81/68/24/552816824.db2.gz	MIPIYHSAEYWICT-UHFFFAOYSA-N	1	1	355.410	2.011	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)nc1	ZINC000293415549	552821148	/nfs/dbraw/zinc/82/11/48/552821148.db2.gz	NOLMLIFSVMUXFM-QGZVFWFLSA-N	1	1	369.469	2.053	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(Cl)cc1F	ZINC000293493022	552829232	/nfs/dbraw/zinc/82/92/32/552829232.db2.gz	WMBYTIBZTLAFHM-UHFFFAOYSA-N	1	1	360.216	2.142	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)nc1	ZINC000293734910	552851533	/nfs/dbraw/zinc/85/15/33/552851533.db2.gz	NPWGZCONMBZPKE-ZWKOTPCHSA-N	1	1	354.454	2.340	20	30		FEEDMO
CCOC(=O)[C@@H](F)C1C[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000293833150	552860723	/nfs/dbraw/zinc/86/07/23/552860723.db2.gz	GSRCIUUKLCNPDX-KRWDZBQOSA-N	1	1	356.401	2.292	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1sccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000293903300	552866603	/nfs/dbraw/zinc/86/66/03/552866603.db2.gz	WNMCOCTVIUJLLN-GXTWGEPZSA-N	1	1	360.483	2.327	20	30		FEEDMO
C=CC[N@@H+](CCC#N)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000294061695	552878936	/nfs/dbraw/zinc/87/89/36/552878936.db2.gz	XWOHOUAKNCLPNA-MRXNPFEDSA-N	1	1	364.490	2.151	20	30		FEEDMO
C=CC[N@H+](CCC#N)C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1	ZINC000294061695	552878937	/nfs/dbraw/zinc/87/89/37/552878937.db2.gz	XWOHOUAKNCLPNA-MRXNPFEDSA-N	1	1	364.490	2.151	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000294243631	552890732	/nfs/dbraw/zinc/89/07/32/552890732.db2.gz	PLRYHWPSJUYSFI-DLBZAZTESA-N	1	1	351.447	2.086	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCO1	ZINC000501849274	561606564	/nfs/dbraw/zinc/60/65/64/561606564.db2.gz	INPKEFWGHMPCJB-APWZRJJASA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCO1	ZINC000501849274	561606565	/nfs/dbraw/zinc/60/65/65/561606565.db2.gz	INPKEFWGHMPCJB-APWZRJJASA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@@H]1CN(CC[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCO1	ZINC000501849274	561606566	/nfs/dbraw/zinc/60/65/66/561606566.db2.gz	INPKEFWGHMPCJB-APWZRJJASA-N	1	1	362.905	2.243	20	30		FEEDMO
CN(C(=O)C(=O)Nc1sccc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000294891866	552941986	/nfs/dbraw/zinc/94/19/86/552941986.db2.gz	VKZMEHBTRYRPQP-INIZCTEOSA-N	1	1	368.462	2.291	20	30		FEEDMO
CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1	ZINC000294905497	552943066	/nfs/dbraw/zinc/94/30/66/552943066.db2.gz	JVTJFTUQMDMPFX-UHFFFAOYSA-N	1	1	356.470	2.117	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1	ZINC000295205515	552970028	/nfs/dbraw/zinc/97/00/28/552970028.db2.gz	LKQSWGFVHLTZKY-OAHLLOKOSA-N	1	1	372.494	2.335	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C#N	ZINC000296297560	553136569	/nfs/dbraw/zinc/13/65/69/553136569.db2.gz	VOIICGBVLMEDGA-ALOPSCKCSA-N	1	1	370.453	2.025	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000502977817	561631460	/nfs/dbraw/zinc/63/14/60/561631460.db2.gz	BFWPIQZZAJGDNG-WBVHZDCISA-N	1	1	373.476	2.402	20	30		FEEDMO
Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)nn1-c1cccc(C#N)c1	ZINC000503139279	561635206	/nfs/dbraw/zinc/63/52/06/561635206.db2.gz	KDRJCJRDBDRPDK-IBGZPJMESA-N	1	1	351.454	2.465	20	30		FEEDMO
Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)nn1-c1cccc(C#N)c1	ZINC000503139279	561635207	/nfs/dbraw/zinc/63/52/07/561635207.db2.gz	KDRJCJRDBDRPDK-IBGZPJMESA-N	1	1	351.454	2.465	20	30		FEEDMO
Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)nn1-c1cccc(C#N)c1	ZINC000503139280	561635251	/nfs/dbraw/zinc/63/52/51/561635251.db2.gz	KDRJCJRDBDRPDK-LJQANCHMSA-N	1	1	351.454	2.465	20	30		FEEDMO
Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)nn1-c1cccc(C#N)c1	ZINC000503139280	561635252	/nfs/dbraw/zinc/63/52/52/561635252.db2.gz	KDRJCJRDBDRPDK-LJQANCHMSA-N	1	1	351.454	2.465	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](OCc4ccncc4)C3)C2=O)cc1	ZINC000298448164	553425963	/nfs/dbraw/zinc/42/59/63/553425963.db2.gz	HFEMCPBSWKMCOL-VQTJNVASSA-N	1	1	362.433	2.350	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H](OCc4ccncc4)C3)C2=O)cc1	ZINC000298448164	553425964	/nfs/dbraw/zinc/42/59/64/553425964.db2.gz	HFEMCPBSWKMCOL-VQTJNVASSA-N	1	1	362.433	2.350	20	30		FEEDMO
C[C@@H](C#N)CN(C)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000298654546	553454765	/nfs/dbraw/zinc/45/47/65/553454765.db2.gz	CRWKTQIVEKXFFZ-HKUYNNGSSA-N	1	1	357.502	2.166	20	30		FEEDMO
C[C@@H](C#N)CN(C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000298654546	553454767	/nfs/dbraw/zinc/45/47/67/553454767.db2.gz	CRWKTQIVEKXFFZ-HKUYNNGSSA-N	1	1	357.502	2.166	20	30		FEEDMO
C[C@@H](C#N)CN(C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1	ZINC000298654546	553454769	/nfs/dbraw/zinc/45/47/69/553454769.db2.gz	CRWKTQIVEKXFFZ-HKUYNNGSSA-N	1	1	357.502	2.166	20	30		FEEDMO
C#CCCN1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1	ZINC000299529182	553576198	/nfs/dbraw/zinc/57/61/98/553576198.db2.gz	DOHLAYBRWHAKSC-UHFFFAOYSA-N	1	1	364.287	2.419	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C	ZINC000504359857	561656946	/nfs/dbraw/zinc/65/69/46/561656946.db2.gz	XAARZGSDAOFGSG-MRXNPFEDSA-N	1	1	373.497	2.047	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C	ZINC000504359857	561656947	/nfs/dbraw/zinc/65/69/47/561656947.db2.gz	XAARZGSDAOFGSG-MRXNPFEDSA-N	1	1	373.497	2.047	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N=c1[nH]n(C)cc1C#N	ZINC000602881979	553658900	/nfs/dbraw/zinc/65/89/00/553658900.db2.gz	MYGIOLUAMMVGRT-WMLDXEAASA-N	1	1	352.442	2.181	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N=c1[nH]n(C)cc1C#N	ZINC000602881979	553658902	/nfs/dbraw/zinc/65/89/02/553658902.db2.gz	MYGIOLUAMMVGRT-WMLDXEAASA-N	1	1	352.442	2.181	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1	ZINC000311941171	553755502	/nfs/dbraw/zinc/75/55/02/553755502.db2.gz	HXESVNMWCPVQAC-WOJBJXKFSA-N	1	1	354.498	2.202	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1	ZINC000311941171	553755505	/nfs/dbraw/zinc/75/55/05/553755505.db2.gz	HXESVNMWCPVQAC-WOJBJXKFSA-N	1	1	354.498	2.202	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000312040118	553756022	/nfs/dbraw/zinc/75/60/22/553756022.db2.gz	VREZJWFVBLLXNZ-KRWDZBQOSA-N	1	1	370.478	2.062	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O	ZINC000328697681	553808883	/nfs/dbraw/zinc/80/88/83/553808883.db2.gz	DRBFSHMKXAKZAF-AFYVEPGGSA-N	1	1	371.481	2.184	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCC4(CCC[N@@H+]4C)CC3)CC2)o1	ZINC000328708089	553810167	/nfs/dbraw/zinc/81/01/67/553810167.db2.gz	AYDMYBRGENIECG-UHFFFAOYSA-N	1	1	371.485	2.158	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)CC2)o1	ZINC000328777762	553820770	/nfs/dbraw/zinc/82/07/70/553820770.db2.gz	DGQWMJUEKUXLKJ-WMZOPIPTSA-N	1	1	371.485	2.158	20	30		FEEDMO
C[N@H+]1CCC[C@]2(CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C2)C1	ZINC000328861675	553834296	/nfs/dbraw/zinc/83/42/96/553834296.db2.gz	LWDBOKZVZQOIFO-IBGZPJMESA-N	1	1	374.441	2.335	20	30		FEEDMO
O=C(NC1CCCCC1)NC1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1	ZINC000328865331	553835575	/nfs/dbraw/zinc/83/55/75/553835575.db2.gz	BQIQTEAFUUXBID-OAHLLOKOSA-N	1	1	371.547	2.112	20	30		FEEDMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC1CCC(F)(F)CC1	ZINC000328874546	553837013	/nfs/dbraw/zinc/83/70/13/553837013.db2.gz	FORSIAXWCQQTDL-OAHLLOKOSA-N	1	1	373.444	2.234	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1	ZINC000506013707	561687466	/nfs/dbraw/zinc/68/74/66/561687466.db2.gz	YYDFZFALJPOFAB-GOSISDBHSA-N	1	1	359.445	2.202	20	30		FEEDMO
Cc1nc2ccc(NC(=O)C3CC[NH+](Cc4nccn4C)CC3)cn2n1	ZINC000329007402	553863181	/nfs/dbraw/zinc/86/31/81/553863181.db2.gz	NJZSUSQQWDQTNS-UHFFFAOYSA-N	1	1	353.430	2.271	20	30		FEEDMO
CN1C(=O)C[C@@H](NC(=O)N2CCC[N@@H+](C)CC2)[C@@H]1c1ccc(Cl)cc1	ZINC000329096670	553879627	/nfs/dbraw/zinc/87/96/27/553879627.db2.gz	YHXVZOSMJHVIPS-WBVHZDCISA-N	1	1	364.877	2.163	20	30		FEEDMO
C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000329108373	553882239	/nfs/dbraw/zinc/88/22/39/553882239.db2.gz	FPFWIXBZOGMCFO-CJNGLKHVSA-N	1	1	351.447	2.086	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000329108373	553882241	/nfs/dbraw/zinc/88/22/41/553882241.db2.gz	FPFWIXBZOGMCFO-CJNGLKHVSA-N	1	1	351.447	2.086	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)C1	ZINC000329134945	553886986	/nfs/dbraw/zinc/88/69/86/553886986.db2.gz	QHOAXRVWAQCGGW-XMTFNYHQSA-N	1	1	367.534	2.273	20	30		FEEDMO
Cc1noc([C@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)C2CCOCC2)n1	ZINC000329141434	553888052	/nfs/dbraw/zinc/88/80/52/553888052.db2.gz	UHHYQQYCYVWYME-UKRRQHHQSA-N	1	1	354.476	2.240	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)c3cnc4n[nH]nc4c3)CC2)oc1C	ZINC000329161473	553892242	/nfs/dbraw/zinc/89/22/42/553892242.db2.gz	YZIMSZSCUNKAOP-UHFFFAOYSA-N	1	1	369.429	2.175	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)[C@H]2C1	ZINC000329172289	553895253	/nfs/dbraw/zinc/89/52/53/553895253.db2.gz	AFSJWWAVOFEITA-MDZRGWNJSA-N	1	1	356.445	2.076	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@H]1CCCOCC1	ZINC000329188812	553898966	/nfs/dbraw/zinc/89/89/66/553898966.db2.gz	PLRZXQONXHLDLK-XYJFISCASA-N	1	1	363.506	2.218	20	30		FEEDMO
Cc1nsc(N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N	ZINC000329214922	553904095	/nfs/dbraw/zinc/90/40/95/553904095.db2.gz	LWVGVTKRJMSJTH-ZIAGYGMSSA-N	1	1	364.515	2.418	20	30		FEEDMO
C[C@@H](C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)N1CCOCC1	ZINC000329224612	553905981	/nfs/dbraw/zinc/90/59/81/553905981.db2.gz	ZZPJVSDZZQSNDI-KRWDZBQOSA-N	1	1	367.534	2.477	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCO1	ZINC000329242169	553909358	/nfs/dbraw/zinc/90/93/58/553909358.db2.gz	SEOVUONCZIXJPC-QGZVFWFLSA-N	1	1	353.507	2.436	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC(=O)N1C1CC1	ZINC000329287780	553918332	/nfs/dbraw/zinc/91/83/32/553918332.db2.gz	HLKBVMIFZZSZTA-YYFZDKIDSA-N	1	1	373.501	2.446	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)[C@@H]2C1	ZINC000329296264	553919887	/nfs/dbraw/zinc/91/98/87/553919887.db2.gz	STZPWTDYSNWWOH-IIAWOOMASA-N	1	1	363.893	2.254	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])N(C)C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2	ZINC000329319484	553924732	/nfs/dbraw/zinc/92/47/32/553924732.db2.gz	DRKPMPANXDGMNX-JZWPEALZSA-N	1	1	360.506	2.187	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H](NC(=O)N(C)C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2	ZINC000329319484	553924735	/nfs/dbraw/zinc/92/47/35/553924735.db2.gz	DRKPMPANXDGMNX-JZWPEALZSA-N	1	1	360.506	2.187	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H](NC(=O)N(C)C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2	ZINC000329319484	553924736	/nfs/dbraw/zinc/92/47/36/553924736.db2.gz	DRKPMPANXDGMNX-JZWPEALZSA-N	1	1	360.506	2.187	20	30		FEEDMO
Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cnc1N1CCCC[C@H]1C	ZINC000329355197	553930484	/nfs/dbraw/zinc/93/04/84/553930484.db2.gz	VPSPHUDCTDKMCQ-SJLPKXTDSA-N	1	1	374.533	2.341	20	30		FEEDMO
CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1	ZINC000329354881	553930627	/nfs/dbraw/zinc/93/06/27/553930627.db2.gz	FKKIUOVEJNGFGQ-DJIMGWMZSA-N	1	1	371.547	2.458	20	30		FEEDMO
Cc1nc2ccc(NC(=O)NC[C@@H](CC(C)C)[NH+]3CCOCC3)cn2n1	ZINC000329419150	553943218	/nfs/dbraw/zinc/94/32/18/553943218.db2.gz	GVOPJYOVCAKCBT-MRXNPFEDSA-N	1	1	360.462	2.111	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)[C@@H]2C1	ZINC000329423210	553943808	/nfs/dbraw/zinc/94/38/08/553943808.db2.gz	HSEWDRTZBIOOLE-MAUKXSAKSA-N	1	1	356.470	2.494	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)C1	ZINC000329442113	553947691	/nfs/dbraw/zinc/94/76/91/553947691.db2.gz	BMYRWDXKRMRLED-ZBFHGGJFSA-N	1	1	365.522	2.151	20	30		FEEDMO
C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCOC1	ZINC000329496377	553957940	/nfs/dbraw/zinc/95/79/40/553957940.db2.gz	IZAURYZPEVQARY-ZKXLYKBJSA-N	1	1	353.507	2.289	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1	ZINC000329553799	553966309	/nfs/dbraw/zinc/96/63/09/553966309.db2.gz	DHXONYQNOKESTJ-IAGOWNOFSA-N	1	1	360.506	2.132	20	30		FEEDMO
N#Cc1ccc(N2CCC(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)c(F)c1	ZINC000506850724	561709995	/nfs/dbraw/zinc/70/99/95/561709995.db2.gz	IGXPZKSPTSAECA-INIZCTEOSA-N	1	1	356.445	2.267	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Cc2c(F)cccc2C#N)C[C@@H](C)O1	ZINC000506858379	561710352	/nfs/dbraw/zinc/71/03/52/561710352.db2.gz	BNEITKDCLDKQIE-INMHGKMJSA-N	1	1	359.445	2.340	20	30		FEEDMO
Cc1cc(CNC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)cc(N2CCCC2)[nH+]1	ZINC000329633634	553980395	/nfs/dbraw/zinc/98/03/95/553980395.db2.gz	WUEBPOBRYCWRRJ-QZTJIDSGSA-N	1	1	374.485	2.284	20	30		FEEDMO
CCc1nc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cs1	ZINC000329633344	553980455	/nfs/dbraw/zinc/98/04/55/553980455.db2.gz	WRHFRDZSIMRCIV-UMVBOHGHSA-N	1	1	352.504	2.476	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC[N@H+]1CC(C)(C)O	ZINC000329713840	553993723	/nfs/dbraw/zinc/99/37/23/553993723.db2.gz	SBVVEFNTTSAHTB-IIAWOOMASA-N	1	1	368.522	2.211	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)C1	ZINC000329722381	553995446	/nfs/dbraw/zinc/99/54/46/553995446.db2.gz	FGMQDXGQZRJXTO-XSLAGTTESA-N	1	1	373.501	2.291	20	30		FEEDMO
CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C	ZINC000329731678	553996541	/nfs/dbraw/zinc/99/65/41/553996541.db2.gz	PURFYOLSFYUHPB-XDNAFOTISA-N	1	1	353.507	2.147	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)[C@H](C)C1	ZINC000329740515	553997951	/nfs/dbraw/zinc/99/79/51/553997951.db2.gz	OALMNPYNKZEXDM-LFRCEIEQSA-N	1	1	366.506	2.229	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCCN(c2ccc(C)nn2)C1	ZINC000329772790	554003585	/nfs/dbraw/zinc/00/35/85/554003585.db2.gz	KYUJWADQQCMNFP-KZNAEPCWSA-N	1	1	372.517	2.226	20	30		FEEDMO
Cc1ccc(CC(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1	ZINC000329821913	554012137	/nfs/dbraw/zinc/01/21/37/554012137.db2.gz	YWKWIWBAYJRMNR-PKOBYXMFSA-N	1	1	372.513	2.078	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)C1	ZINC000329829636	554014556	/nfs/dbraw/zinc/01/45/56/554014556.db2.gz	SDXWBKFSOYJPGK-BFYDXBDKSA-N	1	1	374.460	2.261	20	30		FEEDMO
Cc1ccc(NC(=O)[C@@H]([NH2+]CCn2cnc(C#N)n2)c2ccccc2)cc1	ZINC000507218284	561721608	/nfs/dbraw/zinc/72/16/08/561721608.db2.gz	ZZUFBLSBTXWRIK-IBGZPJMESA-N	1	1	360.421	2.428	20	30		FEEDMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1OC[C@@H]2COCC[C@@H]12	ZINC000329847388	554018121	/nfs/dbraw/zinc/01/81/21/554018121.db2.gz	PGVLBKXAWVHRGW-IPMKNSEASA-N	1	1	360.454	2.027	20	30		FEEDMO
C[C@H](CNC(=O)Nc1ccc2c(c1)OC(F)(F)O2)C[NH+]1CCOCC1	ZINC000329856255	554019527	/nfs/dbraw/zinc/01/95/27/554019527.db2.gz	UQLHWQAJLPIIJX-LLVKDONJSA-N	1	1	357.357	2.302	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)c3cc4n(n3)CCCO4)CC2)oc1C	ZINC000329907527	554028907	/nfs/dbraw/zinc/02/89/07/554028907.db2.gz	TULLKGRQHNBBHU-UHFFFAOYSA-N	1	1	373.457	2.487	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1	ZINC000329977870	554042727	/nfs/dbraw/zinc/04/27/27/554042727.db2.gz	GNKOJYUNVVRUAR-FSDCSDTHSA-N	1	1	351.470	2.162	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)C1	ZINC000329996765	554046740	/nfs/dbraw/zinc/04/67/40/554046740.db2.gz	PKWBBQXNKRQFEV-SCTDSRPQSA-N	1	1	353.507	2.148	20	30		FEEDMO
O=C(N[C@@H]1CC[S@@](=O)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000330023901	554051353	/nfs/dbraw/zinc/05/13/53/554051353.db2.gz	JHMVIMRPAIKROM-OFADQRRESA-N	1	1	361.511	2.207	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCC3=O)C2)C1	ZINC000330072927	554059772	/nfs/dbraw/zinc/05/97/72/554059772.db2.gz	ZKHOHWGZBDUOTQ-SJORKVTESA-N	1	1	364.534	2.498	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C[N@H+]1C1CC1	ZINC000330086363	554062310	/nfs/dbraw/zinc/06/23/10/554062310.db2.gz	MECRKHOSLVRQCZ-GDBMZVCRSA-N	1	1	372.517	2.333	20	30		FEEDMO
Cc1nnc2n1C[C@@H](CNC(=O)N1CC[NH+](C3CCCCC3)CC1)CC2	ZINC000330115570	554067188	/nfs/dbraw/zinc/06/71/88/554067188.db2.gz	FSUXSLYDICKGTJ-MRXNPFEDSA-N	1	1	360.506	2.013	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C[C@H]1C	ZINC000330133101	554070585	/nfs/dbraw/zinc/07/05/85/554070585.db2.gz	QWVINORXZLQDCB-KURKYZTESA-N	1	1	374.533	2.472	20	30		FEEDMO
CO[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)C[C@@H]1OC	ZINC000330169769	554077359	/nfs/dbraw/zinc/07/73/59/554077359.db2.gz	DLGXCRRDDRSPDO-WCXIOVBPSA-N	1	1	367.877	2.345	20	30		FEEDMO
CO[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)C[C@@H]1OC	ZINC000330169769	554077360	/nfs/dbraw/zinc/07/73/60/554077360.db2.gz	DLGXCRRDDRSPDO-WCXIOVBPSA-N	1	1	367.877	2.345	20	30		FEEDMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCO[C@H](C2CC2)C1	ZINC000330179989	554079550	/nfs/dbraw/zinc/07/95/50/554079550.db2.gz	NAHMBEIBPXRHQA-KRWDZBQOSA-N	1	1	351.491	2.046	20	30		FEEDMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC2(C1)CCOCC2	ZINC000330189476	554081001	/nfs/dbraw/zinc/08/10/01/554081001.db2.gz	VISXWZGTXRFJEW-UHFFFAOYSA-N	1	1	351.491	2.048	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F	ZINC000330197200	554083170	/nfs/dbraw/zinc/08/31/70/554083170.db2.gz	RMHXLHQKCCDXFB-KBXCAEBGSA-N	1	1	363.458	2.335	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	ZINC000330236903	554091139	/nfs/dbraw/zinc/09/11/39/554091139.db2.gz	UPLINMHSFSGCKD-LESCRADOSA-N	1	1	351.491	2.043	20	30		FEEDMO
COc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)ccc1NS(C)(=O)=O	ZINC000330251607	554093631	/nfs/dbraw/zinc/09/36/31/554093631.db2.gz	HTWXOIMBDGGFAA-AWEZNQCLSA-N	1	1	353.444	2.282	20	30		FEEDMO
Cc1noc(C)c1C[C@@H](C)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000330272287	554097381	/nfs/dbraw/zinc/09/73/81/554097381.db2.gz	XJXXISGKXDXRHZ-KGLIPLIRSA-N	1	1	364.490	2.322	20	30		FEEDMO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1	ZINC000330375333	554113028	/nfs/dbraw/zinc/11/30/28/554113028.db2.gz	NROXGVNIBILWTK-IRXDYDNUSA-N	1	1	370.563	2.299	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)C1	ZINC000330437546	554121727	/nfs/dbraw/zinc/12/17/27/554121727.db2.gz	ZFPFTMIQCLUZFV-BRWVUGGUSA-N	1	1	352.523	2.305	20	30		FEEDMO
CC(C)(O)C[NH+]1CCN(C(=O)Nc2nc(C(F)(F)F)cs2)CC1	ZINC000330461544	554125093	/nfs/dbraw/zinc/12/50/93/554125093.db2.gz	XOYVGAKUYAQKCJ-UHFFFAOYSA-N	1	1	352.382	2.096	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cc(OC)ccc2OC)CC[N@H+]1C[C@H](C)O	ZINC000330652933	554151104	/nfs/dbraw/zinc/15/11/04/554151104.db2.gz	NPOWOXCKLDOJSO-UONOGXRCSA-N	1	1	351.447	2.026	20	30		FEEDMO
CN(C)C(=O)NCC[N@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000330705074	554160367	/nfs/dbraw/zinc/16/03/67/554160367.db2.gz	RTNJIXSMZNZLST-OAHLLOKOSA-N	1	1	352.866	2.243	20	30		FEEDMO
CN(C)C(=O)NCC[N@@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000330705074	554160368	/nfs/dbraw/zinc/16/03/68/554160368.db2.gz	RTNJIXSMZNZLST-OAHLLOKOSA-N	1	1	352.866	2.243	20	30		FEEDMO
COc1cccc(Cl)c1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000330955135	554193473	/nfs/dbraw/zinc/19/34/73/554193473.db2.gz	MMSRLVMZXRVVRZ-UHFFFAOYSA-N	1	1	353.850	2.206	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)CC)s2)C1	ZINC000330994590	554198495	/nfs/dbraw/zinc/19/84/95/554198495.db2.gz	TYGUGUBWQROHNM-LBPRGKRZSA-N	1	1	359.517	2.030	20	30		FEEDMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2ncc(C(C)(C)C)s2)CC1	ZINC000331023426	554202903	/nfs/dbraw/zinc/20/29/03/554202903.db2.gz	REDKZGBSDOQYIR-UHFFFAOYSA-N	1	1	367.519	2.082	20	30		FEEDMO
COc1ncc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1C(N)=O	ZINC000331050822	554206168	/nfs/dbraw/zinc/20/61/68/554206168.db2.gz	XWLONZXSLVMUMJ-GFCCVEGCSA-N	1	1	363.462	2.026	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2F)CC[N@H+]1C[C@H](C)O	ZINC000331192741	554228789	/nfs/dbraw/zinc/22/87/89/554228789.db2.gz	MCBDFSFXBCFDEN-AAEUAGOBSA-N	1	1	352.410	2.032	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(Cl)ccc2N(C)C)[C@H](C)C1	ZINC000331192419	554228937	/nfs/dbraw/zinc/22/89/37/554228937.db2.gz	RMOQMCDFUYEGRJ-CHWSQXEVSA-N	1	1	354.882	2.338	20	30		FEEDMO
CC[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1c(C)nn(C)c1C	ZINC000331213702	554232142	/nfs/dbraw/zinc/23/21/42/554232142.db2.gz	AMORNPJDHDBBAL-CJNGLKHVSA-N	1	1	365.522	2.179	20	30		FEEDMO
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C	ZINC000331238256	554234586	/nfs/dbraw/zinc/23/45/86/554234586.db2.gz	NMCYTJMLKMKKFL-IKGGRYGDSA-N	1	1	355.523	2.271	20	30		FEEDMO
CO[C@H](C)c1nc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cs1	ZINC000331235204	554234876	/nfs/dbraw/zinc/23/48/76/554234876.db2.gz	SVOBWEAJHUNPNN-CHWSQXEVSA-N	1	1	370.519	2.042	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c(C#N)cc1N(C)C	ZINC000331250397	554236541	/nfs/dbraw/zinc/23/65/41/554236541.db2.gz	YUWOVHHQBLJBRX-OAHLLOKOSA-N	1	1	373.501	2.242	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000331290633	554242460	/nfs/dbraw/zinc/24/24/60/554242460.db2.gz	KFQRQACNMGLNDH-UONOGXRCSA-N	1	1	353.463	2.237	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000331308858	554245223	/nfs/dbraw/zinc/24/52/23/554245223.db2.gz	XLAWEGWGLYKBEM-RYUDHWBXSA-N	1	1	357.380	2.368	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1Cl	ZINC000331375370	554253642	/nfs/dbraw/zinc/25/36/42/554253642.db2.gz	KNWLLFFAOFQFHR-HNNXBMFYSA-N	1	1	374.872	2.485	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1Cl	ZINC000331375370	554253643	/nfs/dbraw/zinc/25/36/43/554253643.db2.gz	KNWLLFFAOFQFHR-HNNXBMFYSA-N	1	1	374.872	2.485	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000331406982	554259414	/nfs/dbraw/zinc/25/94/14/554259414.db2.gz	ULXFKLDGWZOOSU-WBVHZDCISA-N	1	1	354.454	2.220	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000331627995	554298085	/nfs/dbraw/zinc/29/80/85/554298085.db2.gz	RJVXJDBQPZYEIO-PKOBYXMFSA-N	1	1	369.513	2.278	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1	ZINC000332029112	554366956	/nfs/dbraw/zinc/36/69/56/554366956.db2.gz	HITSRBXPCUKXSN-HOTGVXAUSA-N	1	1	356.470	2.070	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1=O	ZINC000510587909	561839813	/nfs/dbraw/zinc/83/98/13/561839813.db2.gz	AIVSSWIRPGVASZ-WOJBJXKFSA-N	1	1	369.509	2.377	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1=O	ZINC000510587909	561839814	/nfs/dbraw/zinc/83/98/14/561839814.db2.gz	AIVSSWIRPGVASZ-WOJBJXKFSA-N	1	1	369.509	2.377	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)C2)n1	ZINC000332907601	554540793	/nfs/dbraw/zinc/54/07/93/554540793.db2.gz	ONMRMVCKRRHBHW-QFBILLFUSA-N	1	1	367.497	2.245	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C3CC3)C2)c(F)c1	ZINC000333000367	554556827	/nfs/dbraw/zinc/55/68/27/554556827.db2.gz	JFJYYZDPMAOHKT-DNVCBOLYSA-N	1	1	356.445	2.409	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@H]2CCO)sc2c1CCC2	ZINC000333440195	554613516	/nfs/dbraw/zinc/61/35/16/554613516.db2.gz	LQBNDNCQSIZFFG-GFCCVEGCSA-N	1	1	365.524	2.237	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)C1CC1	ZINC000333874591	554651513	/nfs/dbraw/zinc/65/15/13/554651513.db2.gz	QCXAXRPKPWMBNH-ZBFHGGJFSA-N	1	1	373.419	2.476	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)C1CC1	ZINC000333874591	554651515	/nfs/dbraw/zinc/65/15/15/554651515.db2.gz	QCXAXRPKPWMBNH-ZBFHGGJFSA-N	1	1	373.419	2.476	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1=O	ZINC000348456911	554685598	/nfs/dbraw/zinc/68/55/98/554685598.db2.gz	CFGGMYVOGDIYMQ-ZWKOTPCHSA-N	1	1	357.454	2.164	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N([C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1=O	ZINC000348577017	554689270	/nfs/dbraw/zinc/68/92/70/554689270.db2.gz	LKGBJUOJTBQGLZ-QZTJIDSGSA-N	1	1	359.470	2.266	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1	ZINC000349943158	554750639	/nfs/dbraw/zinc/75/06/39/554750639.db2.gz	HDZSLRQSDNSFSS-NVXWUHKLSA-N	1	1	355.442	2.332	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[NH+]2CCC(CCN3CCOCC3)CC2)cc1	ZINC000360588870	554881211	/nfs/dbraw/zinc/88/12/11/554881211.db2.gz	UUHJLNREVAACQH-UHFFFAOYSA-N	1	1	370.497	2.321	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2nccs2)C1	ZINC000362454130	554972963	/nfs/dbraw/zinc/97/29/63/554972963.db2.gz	SVYNUOSFQNSFJS-AWEZNQCLSA-N	1	1	350.488	2.218	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2nccs2)C1	ZINC000362454130	554972964	/nfs/dbraw/zinc/97/29/64/554972964.db2.gz	SVYNUOSFQNSFJS-AWEZNQCLSA-N	1	1	350.488	2.218	20	30		FEEDMO
Cn1cc(C[C@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)cn1	ZINC000362875695	554994922	/nfs/dbraw/zinc/99/49/22/554994922.db2.gz	ADZRGZBVOIBZPL-QGZVFWFLSA-N	1	1	351.454	2.231	20	30		FEEDMO
N#Cc1ccccc1N1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1	ZINC000363187256	555049074	/nfs/dbraw/zinc/04/90/74/555049074.db2.gz	JKYRNLGCDCGTKM-CEXWTWQISA-N	1	1	367.497	2.453	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CN2CCCC2=O)CC1	ZINC000363621979	555149205	/nfs/dbraw/zinc/14/92/05/555149205.db2.gz	LVWFKAXPDLFILV-HNNXBMFYSA-N	1	1	354.454	2.220	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(OC)cc1	ZINC000363785649	555186238	/nfs/dbraw/zinc/18/62/38/555186238.db2.gz	ZMCYNQRELUSNMG-LMMKCTJWSA-N	1	1	361.486	2.314	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000364019608	555234657	/nfs/dbraw/zinc/23/46/57/555234657.db2.gz	LWMMPZHESFAIHS-ZWKOTPCHSA-N	1	1	360.502	2.147	20	30		FEEDMO
N#Cc1ccc(C(=O)NCC(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)cc1	ZINC000364263011	555280648	/nfs/dbraw/zinc/28/06/48/555280648.db2.gz	ATPBXAPBFPUOJV-UHFFFAOYSA-N	1	1	360.417	2.405	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000365113760	555488479	/nfs/dbraw/zinc/48/84/79/555488479.db2.gz	ATLPWEFEJPTESM-INIZCTEOSA-N	1	1	353.466	2.302	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@H](C)C1	ZINC000512951860	561920736	/nfs/dbraw/zinc/92/07/36/561920736.db2.gz	XJGZHFDLEXPJFW-DNVCBOLYSA-N	1	1	361.461	2.493	20	30		FEEDMO
C=CCN(C(=O)COC[C@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000365325901	555543051	/nfs/dbraw/zinc/54/30/51/555543051.db2.gz	JFDDQNRPUFZHHC-PMACEKPBSA-N	1	1	358.482	2.329	20	30		FEEDMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCOCC2)CCCC1	ZINC000365588085	555616192	/nfs/dbraw/zinc/61/61/92/555616192.db2.gz	GWXFNONPZMQFQW-MRXNPFEDSA-N	1	1	357.454	2.087	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@H]2[C@H]1c1ccccc1	ZINC000365689738	555641427	/nfs/dbraw/zinc/64/14/27/555641427.db2.gz	BQUIMHYZVURWOX-MISYRCLQSA-N	1	1	374.444	2.258	20	30		FEEDMO
CCOc1ccc([C@H](O)C2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)cc1	ZINC000365830027	555677111	/nfs/dbraw/zinc/67/71/11/555677111.db2.gz	FBVKOLSBVSIDJY-FQEVSTJZSA-N	1	1	371.481	2.393	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(C)c(OC)c3)no2)CC1	ZINC000366509088	555862909	/nfs/dbraw/zinc/86/29/09/555862909.db2.gz	AMHPUQLFURATBN-UHFFFAOYSA-N	1	1	368.437	2.015	20	30		FEEDMO
C=CCOCCNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000366785805	555933732	/nfs/dbraw/zinc/93/37/32/555933732.db2.gz	RQOOYZAFDGVBBP-CALCHBBNSA-N	1	1	353.507	2.110	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1)c1ccccc1	ZINC000366985962	555989948	/nfs/dbraw/zinc/98/99/48/555989948.db2.gz	CQBLUXOBSKUZOY-MRXNPFEDSA-N	1	1	364.453	2.185	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1)c1ccccc1	ZINC000366985962	555989952	/nfs/dbraw/zinc/98/99/52/555989952.db2.gz	CQBLUXOBSKUZOY-MRXNPFEDSA-N	1	1	364.453	2.185	20	30		FEEDMO
C[C@@H]1C[C@H](Nc2cc(S(N)(=O)=O)ccc2C#N)C[N@H+]1Cc1ccccc1	ZINC000367338682	556022275	/nfs/dbraw/zinc/02/22/75/556022275.db2.gz	CVHNIPSQJJSMAR-PBHICJAKSA-N	1	1	370.478	2.281	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C	ZINC000514763023	561978244	/nfs/dbraw/zinc/97/82/44/561978244.db2.gz	YMJIBLUCYNQPMR-AWEZNQCLSA-N	1	1	360.458	2.129	20	30		FEEDMO
COCC[N@@H+]([C@@H]1CCO[C@@H]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000514838988	561982475	/nfs/dbraw/zinc/98/24/75/561982475.db2.gz	UDCJNTVWYLZFIA-ATZDWAIDSA-N	1	1	357.454	2.179	20	30		FEEDMO
C#CC[C@]1(C(=O)NC[C@H]2CC[N@H+](CC)C2)CCCN1C(=O)OC(C)(C)C	ZINC000368013532	556195338	/nfs/dbraw/zinc/19/53/38/556195338.db2.gz	BLDFEXBEJQXWMJ-OXQOHEQNSA-N	1	1	363.502	2.237	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c1	ZINC000368102254	556220000	/nfs/dbraw/zinc/22/00/00/556220000.db2.gz	XRQGQRSSMSRTLT-LNLFQRSKSA-N	1	1	368.481	2.007	20	30		FEEDMO
C=CCN=c1[nH]cc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)s1	ZINC000622177796	556241581	/nfs/dbraw/zinc/24/15/81/556241581.db2.gz	FUKRDDXHORVGCD-HUUCEWRRSA-N	1	1	362.499	2.114	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cnc3onc(C4CC4)c3c2)CC1	ZINC000515406142	562009373	/nfs/dbraw/zinc/00/93/73/562009373.db2.gz	YBFUSNJSVUIRDM-UHFFFAOYSA-N	1	1	362.455	2.029	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1	ZINC000368825495	556423357	/nfs/dbraw/zinc/42/33/57/556423357.db2.gz	WGGQYFIMCRBTOH-UHFFFAOYSA-N	1	1	358.829	2.351	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(C#N)c(C)c2)cn1	ZINC000368904938	556443840	/nfs/dbraw/zinc/44/38/40/556443840.db2.gz	IOQQXTFVMCBJDV-UHFFFAOYSA-N	1	1	367.434	2.234	20	30		FEEDMO
CCc1nc(CN2C[C@@H]3C[NH+](Cc4ccc(F)cc4C#N)C[C@H]3C2)no1	ZINC000368961915	556460412	/nfs/dbraw/zinc/46/04/12/556460412.db2.gz	NUOKYSHZXQTPJE-HOTGVXAUSA-N	1	1	355.417	2.207	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)n1	ZINC000369248774	556548979	/nfs/dbraw/zinc/54/89/79/556548979.db2.gz	GELJQZMXTBAERM-GOSISDBHSA-N	1	1	352.442	2.260	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)n1	ZINC000369248774	556548982	/nfs/dbraw/zinc/54/89/82/556548982.db2.gz	GELJQZMXTBAERM-GOSISDBHSA-N	1	1	352.442	2.260	20	30		FEEDMO
C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1OC	ZINC000369275596	556561263	/nfs/dbraw/zinc/56/12/63/556561263.db2.gz	XYIZELQPWHIUIU-QGZVFWFLSA-N	1	1	373.497	2.158	20	30		FEEDMO
C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1OC	ZINC000369275596	556561268	/nfs/dbraw/zinc/56/12/68/556561268.db2.gz	XYIZELQPWHIUIU-QGZVFWFLSA-N	1	1	373.497	2.158	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000369608174	556646173	/nfs/dbraw/zinc/64/61/73/556646173.db2.gz	DBTVPTVYWWPABS-NSISKUIASA-N	1	1	374.481	2.376	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000369608174	556646176	/nfs/dbraw/zinc/64/61/76/556646176.db2.gz	DBTVPTVYWWPABS-NSISKUIASA-N	1	1	374.481	2.376	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3C#N)C[C@@H]2[C@@H]1c1ccccc1	ZINC000369678087	556666314	/nfs/dbraw/zinc/66/63/14/556666314.db2.gz	JLXYCURXVADXBE-HBFSDRIKSA-N	1	1	367.474	2.482	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)n1	ZINC000369784683	556693712	/nfs/dbraw/zinc/69/37/12/556693712.db2.gz	PWXVFCPDLJGRDA-SFHVURJKSA-N	1	1	352.442	2.260	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](Cc2nnc3ccccn32)C1	ZINC000369942609	556736752	/nfs/dbraw/zinc/73/67/52/556736752.db2.gz	BWSAIYMKRMEPFW-UZLBHIALSA-N	1	1	368.485	2.038	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@H]1N1CCN(C)CC1	ZINC000370147557	556793390	/nfs/dbraw/zinc/79/33/90/556793390.db2.gz	DNTHEZAFAVRWQC-WIYYLYMNSA-N	1	1	356.514	2.285	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@H]1N1CCN(C)CC1	ZINC000370147557	556793391	/nfs/dbraw/zinc/79/33/91/556793391.db2.gz	DNTHEZAFAVRWQC-WIYYLYMNSA-N	1	1	356.514	2.285	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC2CCC(C#N)CC2)CC1	ZINC000370151838	556794821	/nfs/dbraw/zinc/79/48/21/556794821.db2.gz	REGOBKFRLFDKKN-ACBHZAAOSA-N	1	1	361.534	2.128	20	30		FEEDMO
CC[C@@H](CC#N)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](CC)C3)c1C	ZINC000370380983	556856104	/nfs/dbraw/zinc/85/61/04/556856104.db2.gz	LDDXBUSHGDEYSP-INIZCTEOSA-N	1	1	366.469	2.376	20	30		FEEDMO
Cc1cc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nn1-c1cccc(C#N)c1	ZINC000370696061	556942673	/nfs/dbraw/zinc/94/26/73/556942673.db2.gz	FGRCEZVQLCYDSN-IAGOWNOFSA-N	1	1	364.453	2.801	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)C1	ZINC000370879732	557000078	/nfs/dbraw/zinc/00/00/78/557000078.db2.gz	XZXUPKSGCXJAOQ-UXHICEINSA-N	1	1	369.513	2.453	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)CC1	ZINC000370942577	557023695	/nfs/dbraw/zinc/02/36/95/557023695.db2.gz	QRZKFWFTDSDJTI-BEFAXECRSA-N	1	1	374.554	2.123	20	30		FEEDMO
N#C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C1CC1	ZINC000370965923	557030052	/nfs/dbraw/zinc/03/00/52/557030052.db2.gz	BKLRCDMPWJKQOO-QUCCMNQESA-N	1	1	352.482	2.097	20	30		FEEDMO
C[C@@H]1CC(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000371183135	557100064	/nfs/dbraw/zinc/10/00/64/557100064.db2.gz	HXWZQXHXGTZDEO-GFCCVEGCSA-N	1	1	360.483	2.038	20	30		FEEDMO
COCCC[N@H+]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000371487306	557196889	/nfs/dbraw/zinc/19/68/89/557196889.db2.gz	FIZXRIMRBRPABR-FQEVSTJZSA-N	1	1	370.497	2.098	20	30		FEEDMO
C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)[C@H]2C1	ZINC000371493158	557198870	/nfs/dbraw/zinc/19/88/70/557198870.db2.gz	MYGKLSGCXACASJ-OCCSQVGLSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)[C@H]2C1	ZINC000371493158	557198872	/nfs/dbraw/zinc/19/88/72/557198872.db2.gz	MYGKLSGCXACASJ-OCCSQVGLSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@H]21	ZINC000371505383	557203761	/nfs/dbraw/zinc/20/37/61/557203761.db2.gz	IXDNJDMMVNYEGN-GXTWGEPZSA-N	1	1	373.400	2.292	20	30		FEEDMO
CN(C(=O)[C@@H]1CC12CC[NH+](CC(=O)NC1(C#N)CCCCC1)CC2)C1CC1	ZINC000371549895	557218963	/nfs/dbraw/zinc/21/89/63/557218963.db2.gz	BFMDQNUCKWVQRN-KRWDZBQOSA-N	1	1	372.513	2.052	20	30		FEEDMO
C=CCSCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000371739101	557279721	/nfs/dbraw/zinc/27/97/21/557279721.db2.gz	JJVZIWUEYSHJKN-GDBMZVCRSA-N	1	1	351.520	2.021	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1	ZINC000371753246	557283601	/nfs/dbraw/zinc/28/36/01/557283601.db2.gz	NSGAVKPJIWCFNK-LJQANCHMSA-N	1	1	353.397	2.467	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1	ZINC000371753246	557283604	/nfs/dbraw/zinc/28/36/04/557283604.db2.gz	NSGAVKPJIWCFNK-LJQANCHMSA-N	1	1	353.397	2.467	20	30		FEEDMO
CC(C)c1[nH+]ccn1CCC(=O)N1CCC(Nc2ccc(C#N)cn2)CC1	ZINC000372119471	557384347	/nfs/dbraw/zinc/38/43/47/557384347.db2.gz	BROWVBIFYSLFHZ-UHFFFAOYSA-N	1	1	366.469	2.766	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1	ZINC000372901643	557585021	/nfs/dbraw/zinc/58/50/21/557585021.db2.gz	CTDFZDWTVGAQQB-UHFFFAOYSA-N	1	1	360.458	2.267	20	30		FEEDMO
CCc1cccc(NC(=O)C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1	ZINC000519761368	562142928	/nfs/dbraw/zinc/14/29/28/562142928.db2.gz	DNRHRVSROFKJBV-UHFFFAOYSA-N	1	1	371.462	2.123	20	30		FEEDMO
N#Cc1c(F)ccc(C[NH2+][C@@H]2CCCN(c3ncc[nH]c3=O)C2)c1Cl	ZINC000373016934	557610593	/nfs/dbraw/zinc/61/05/93/557610593.db2.gz	YJCLAKJAVHCVLW-GFCCVEGCSA-N	1	1	361.808	2.193	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000373138675	557636484	/nfs/dbraw/zinc/63/64/84/557636484.db2.gz	LFIWLFJJCYTXHI-QUCCMNQESA-N	1	1	370.497	2.037	20	30		FEEDMO
Cc1ccc(CC2(O)CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)cc1	ZINC000373501539	557705592	/nfs/dbraw/zinc/70/55/92/557705592.db2.gz	JCUDDYLBVKUUMI-UHFFFAOYSA-N	1	1	368.481	2.020	20	30		FEEDMO
C#CC[C@@H](C)NC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000373806239	557763130	/nfs/dbraw/zinc/76/31/30/557763130.db2.gz	JQNNPIKSYLSXEK-HZPDHXFCSA-N	1	1	351.491	2.236	20	30		FEEDMO
C#CC[C@@H](C)NC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000373806239	557763131	/nfs/dbraw/zinc/76/31/31/557763131.db2.gz	JQNNPIKSYLSXEK-HZPDHXFCSA-N	1	1	351.491	2.236	20	30		FEEDMO
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC(=O)N(CCC#N)CCC#N)C1	ZINC000373909825	557784607	/nfs/dbraw/zinc/78/46/07/557784607.db2.gz	DSLIRZGBMNPXDI-XWSJACJDSA-N	1	1	360.502	2.294	20	30		FEEDMO
Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1C#N	ZINC000374134869	557829429	/nfs/dbraw/zinc/82/94/29/557829429.db2.gz	ATAWHGQWLQIVEH-QFBILLFUSA-N	1	1	351.454	2.413	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1	ZINC000374306503	557862570	/nfs/dbraw/zinc/86/25/70/557862570.db2.gz	DWPVLIFMQUKDKD-ZMYBRWDISA-N	1	1	367.453	2.207	20	30		FEEDMO
COc1ccc([C@H](O)[C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1	ZINC000374398190	557878640	/nfs/dbraw/zinc/87/86/40/557878640.db2.gz	HQWCTYOXJAUIEX-YSIASYRMSA-N	1	1	359.470	2.247	20	30		FEEDMO
COc1ccc([C@H](O)[C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1	ZINC000374398190	557878642	/nfs/dbraw/zinc/87/86/42/557878642.db2.gz	HQWCTYOXJAUIEX-YSIASYRMSA-N	1	1	359.470	2.247	20	30		FEEDMO
COc1ccc([C@H](O)[C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1	ZINC000374398191	557878930	/nfs/dbraw/zinc/87/89/30/557878930.db2.gz	HQWCTYOXJAUIEX-YZGWKJHDSA-N	1	1	359.470	2.247	20	30		FEEDMO
COc1ccc([C@H](O)[C@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C(C)C)cc1	ZINC000374398191	557878931	/nfs/dbraw/zinc/87/89/31/557878931.db2.gz	HQWCTYOXJAUIEX-YZGWKJHDSA-N	1	1	359.470	2.247	20	30		FEEDMO
CO[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000374645943	557911636	/nfs/dbraw/zinc/91/16/36/557911636.db2.gz	JXFFULAAJDSYFM-KRWDZBQOSA-N	1	1	353.426	2.183	20	30		FEEDMO
CO[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000374645943	557911638	/nfs/dbraw/zinc/91/16/38/557911638.db2.gz	JXFFULAAJDSYFM-KRWDZBQOSA-N	1	1	353.426	2.183	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[NH2+][C@H](c1ccc(OC)cc1)c1ccc2c(c1)CCO2	ZINC000375119030	557980564	/nfs/dbraw/zinc/98/05/64/557980564.db2.gz	BMNPAORQEZWDOW-YCRPNKLZSA-N	1	1	364.445	2.447	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)C1=O	ZINC000375594002	558054241	/nfs/dbraw/zinc/05/42/41/558054241.db2.gz	BKJPYVYBQDSFOY-KRWDZBQOSA-N	1	1	361.873	2.275	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)C1=O	ZINC000375594002	558054242	/nfs/dbraw/zinc/05/42/42/558054242.db2.gz	BKJPYVYBQDSFOY-KRWDZBQOSA-N	1	1	361.873	2.275	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)C1=O	ZINC000375615552	558057415	/nfs/dbraw/zinc/05/74/15/558057415.db2.gz	ZUDZOFOHGORRRJ-DNVCBOLYSA-N	1	1	359.470	2.367	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)C1	ZINC000375694212	558068812	/nfs/dbraw/zinc/06/88/12/558068812.db2.gz	WIDOGODAMUYIBV-PMACEKPBSA-N	1	1	354.498	2.312	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)C1	ZINC000376173803	558136498	/nfs/dbraw/zinc/13/64/98/558136498.db2.gz	PJZTVZXSXWBPKG-OAHLLOKOSA-N	1	1	358.877	2.076	20	30		FEEDMO
C=CCOCCNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2	ZINC000376839923	558228198	/nfs/dbraw/zinc/22/81/98/558228198.db2.gz	ANFYKKPGVWQNCN-OAHLLOKOSA-N	1	1	359.470	2.304	20	30		FEEDMO
C=CCN(C(=O)NCC[C@@H]1CCC(=O)N1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000377265185	558301627	/nfs/dbraw/zinc/30/16/27/558301627.db2.gz	LVCOKKRBOJPTTM-RBUKOAKNSA-N	1	1	370.497	2.127	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(OC)cc1	ZINC000377310599	558312106	/nfs/dbraw/zinc/31/21/06/558312106.db2.gz	LFYDFQAYJPILIK-AEFFLSMTSA-N	1	1	350.484	2.021	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@@H](O)COCc2cccs2)CC1	ZINC000377453858	558343727	/nfs/dbraw/zinc/34/37/27/558343727.db2.gz	SNLWKWVAJXUGFB-QGZVFWFLSA-N	1	1	372.494	2.105	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1	ZINC000522098532	562191325	/nfs/dbraw/zinc/19/13/25/562191325.db2.gz	OJGUONTZRGRBNT-MOPGFXCFSA-N	1	1	358.482	2.242	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1	ZINC000377672930	558393208	/nfs/dbraw/zinc/39/32/08/558393208.db2.gz	BPCPWUHPRRSMSZ-HFTRVMKXSA-N	1	1	363.889	2.356	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@H]3C2)CC1	ZINC000377819791	558426609	/nfs/dbraw/zinc/42/66/09/558426609.db2.gz	ZLODWUBNBHMARW-ACRUOGEOSA-N	1	1	351.494	2.093	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@H]3C2)CC1	ZINC000377819791	558426610	/nfs/dbraw/zinc/42/66/10/558426610.db2.gz	ZLODWUBNBHMARW-ACRUOGEOSA-N	1	1	351.494	2.093	20	30		FEEDMO
CCc1nc(CN2CCC[C@@H]([N@@H+](C)C[C@@H](O)c3ccc(C#N)cc3)C2)no1	ZINC000378142236	558489935	/nfs/dbraw/zinc/48/99/35/558489935.db2.gz	LTLVYFOLRPAXBZ-QZTJIDSGSA-N	1	1	369.469	2.133	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1	ZINC000378463435	558562953	/nfs/dbraw/zinc/56/29/53/558562953.db2.gz	QLTOTZZCIKUZED-AVRDEDQJSA-N	1	1	368.525	2.075	20	30		FEEDMO
C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC[N@@H+]1C	ZINC000409511388	558699274	/nfs/dbraw/zinc/69/92/74/558699274.db2.gz	FEYJJTKCVHCJKL-QMTHXVAHSA-N	1	1	361.389	2.338	20	30		FEEDMO
C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC[N@H+]1C	ZINC000409511388	558699276	/nfs/dbraw/zinc/69/92/76/558699276.db2.gz	FEYJJTKCVHCJKL-QMTHXVAHSA-N	1	1	361.389	2.338	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1	ZINC000410900378	558821041	/nfs/dbraw/zinc/82/10/41/558821041.db2.gz	QMMUHAILIPXDQP-SJORKVTESA-N	1	1	362.518	2.108	20	30		FEEDMO
CS(=O)(=O)C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccccc1	ZINC000411472002	558900693	/nfs/dbraw/zinc/90/06/93/558900693.db2.gz	GRWTUZPYRRDOME-SFHVURJKSA-N	1	1	371.462	2.262	20	30		FEEDMO
CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1O	ZINC000411678043	558942197	/nfs/dbraw/zinc/94/21/97/558942197.db2.gz	UKESFUJEMKDGQO-DLBZAZTESA-N	1	1	365.518	2.169	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(C(=O)N(C)C)CC1	ZINC000411915630	558987405	/nfs/dbraw/zinc/98/74/05/558987405.db2.gz	STABUWBNHGSYFD-ZDUSSCGKSA-N	1	1	360.483	2.087	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)CC1CCN(CC(=O)NC2(C#N)CCC2)CC1	ZINC000525886713	562258546	/nfs/dbraw/zinc/25/85/46/562258546.db2.gz	UPXXDCBVYSCOPL-UHFFFAOYSA-N	1	1	354.498	2.393	20	30		FEEDMO
C[N@H+](Cc1ccccc1)CC1CCN(CC(=O)NC2(C#N)CCC2)CC1	ZINC000525886713	562258547	/nfs/dbraw/zinc/25/85/47/562258547.db2.gz	UPXXDCBVYSCOPL-UHFFFAOYSA-N	1	1	354.498	2.393	20	30		FEEDMO
Cc1cc(NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(C#N)cc1[N+](=O)[O-]	ZINC000413109811	559078890	/nfs/dbraw/zinc/07/88/90/559078890.db2.gz	NOWPJBVDAFELQZ-INIZCTEOSA-N	1	1	359.430	2.130	20	30		FEEDMO
Cc1cc(N2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413215344	559089152	/nfs/dbraw/zinc/08/91/52/559089152.db2.gz	AEOLJMVEHBQVOP-OAHLLOKOSA-N	1	1	357.458	2.380	20	30		FEEDMO
Cc1cc(N2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)c(C#N)cc1[N+](=O)[O-]	ZINC000413215344	559089153	/nfs/dbraw/zinc/08/91/53/559089153.db2.gz	AEOLJMVEHBQVOP-OAHLLOKOSA-N	1	1	357.458	2.380	20	30		FEEDMO
Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(C#N)cc1[N+](=O)[O-]	ZINC000413294669	559096320	/nfs/dbraw/zinc/09/63/20/559096320.db2.gz	OPMSOWYJMQCCPI-MQVJKMGUSA-N	1	1	371.441	2.270	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H](O)COc2cc(Br)ccc2C#N)C[C@H](C)O1	ZINC000414132588	559150405	/nfs/dbraw/zinc/15/04/05/559150405.db2.gz	ATDUDEHTGKSONB-ZOWXZIJZSA-N	1	1	369.259	2.170	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H](O)COc2cc(Br)ccc2C#N)C[C@H](C)O1	ZINC000414132588	559150407	/nfs/dbraw/zinc/15/04/07/559150407.db2.gz	ATDUDEHTGKSONB-ZOWXZIJZSA-N	1	1	369.259	2.170	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000414459591	559165581	/nfs/dbraw/zinc/16/55/81/559165581.db2.gz	BOVMRPQDAMTNDM-NSHDSACASA-N	1	1	352.847	2.331	20	30		FEEDMO
C[N@@H+]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)[C@H](c2ccccc2)C1	ZINC000414468470	559166651	/nfs/dbraw/zinc/16/66/51/559166651.db2.gz	YPWNBIBLRPKHTE-WMZOPIPTSA-N	1	1	359.426	2.073	20	30		FEEDMO
C[N@H+]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)[C@H](c2ccccc2)C1	ZINC000414468470	559166653	/nfs/dbraw/zinc/16/66/53/559166653.db2.gz	YPWNBIBLRPKHTE-WMZOPIPTSA-N	1	1	359.426	2.073	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1	ZINC000416395777	559309999	/nfs/dbraw/zinc/30/99/99/559309999.db2.gz	ZTCNGWNZUKOUEM-UHFFFAOYSA-N	1	1	374.890	2.286	20	30		FEEDMO
C[C@]1(F)C[NH2+]CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000416942132	559339546	/nfs/dbraw/zinc/33/95/46/559339546.db2.gz	IUFNJFAUHGDJTJ-INIZCTEOSA-N	1	1	357.351	2.400	20	30		FEEDMO
CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000418084061	559389675	/nfs/dbraw/zinc/38/96/75/559389675.db2.gz	USQDQTGFUDYIDH-KRWDZBQOSA-N	1	1	350.422	2.308	20	30		FEEDMO
CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418439030	559401684	/nfs/dbraw/zinc/40/16/84/559401684.db2.gz	JKNTZZWEUAPNQC-IBGZPJMESA-N	1	1	357.502	2.149	20	30		FEEDMO
CC(C)C[C@@H](C[NH3+])NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000418439030	559401685	/nfs/dbraw/zinc/40/16/85/559401685.db2.gz	JKNTZZWEUAPNQC-IBGZPJMESA-N	1	1	357.502	2.149	20	30		FEEDMO
Cc1ncccc1OC[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000419385700	559440402	/nfs/dbraw/zinc/44/04/02/559440402.db2.gz	AUEHNXGUBPRECY-LJQANCHMSA-N	1	1	364.449	2.421	20	30		FEEDMO
Cc1ncccc1OC[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000419385700	559440403	/nfs/dbraw/zinc/44/04/03/559440403.db2.gz	AUEHNXGUBPRECY-LJQANCHMSA-N	1	1	364.449	2.421	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1	ZINC000421021489	559520187	/nfs/dbraw/zinc/52/01/87/559520187.db2.gz	OGBJTMIWRCEQAN-SPYBWZPUSA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1	ZINC000421021489	559520188	/nfs/dbraw/zinc/52/01/88/559520188.db2.gz	OGBJTMIWRCEQAN-SPYBWZPUSA-N	1	1	351.491	2.341	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)cn1CC	ZINC000421179338	559529297	/nfs/dbraw/zinc/52/92/97/559529297.db2.gz	ZTNIZCXDALJDSP-OCCSQVGLSA-N	1	1	361.446	2.161	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c(C#N)cn1CC	ZINC000421179720	559529365	/nfs/dbraw/zinc/52/93/65/559529365.db2.gz	DGNIUUHUZUBOGC-CYBMUJFWSA-N	1	1	363.462	2.407	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1	ZINC000422472841	559590565	/nfs/dbraw/zinc/59/05/65/559590565.db2.gz	APLHWCAWGWDOKI-UHFFFAOYSA-N	1	1	370.497	2.165	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1	ZINC000422472841	559590566	/nfs/dbraw/zinc/59/05/66/559590566.db2.gz	APLHWCAWGWDOKI-UHFFFAOYSA-N	1	1	370.497	2.165	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422478798	559590884	/nfs/dbraw/zinc/59/08/84/559590884.db2.gz	IQEHOUVGTOXUSC-IRXDYDNUSA-N	1	1	362.518	2.155	20	30		FEEDMO
C=CCCCCCN(C)C(=O)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC	ZINC000423712483	559636763	/nfs/dbraw/zinc/63/67/63/559636763.db2.gz	VRBPCIPFZWYSKB-GOSISDBHSA-N	1	1	373.497	2.373	20	30		FEEDMO
C=CCC1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CCOCC1	ZINC000424191368	559657064	/nfs/dbraw/zinc/65/70/64/559657064.db2.gz	HGNQVSSNKAUKQF-UHFFFAOYSA-N	1	1	371.525	2.469	20	30		FEEDMO
C=CCC1(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCOCC1	ZINC000424686101	559673604	/nfs/dbraw/zinc/67/36/04/559673604.db2.gz	UIWFGYUVQCPBME-SFHVURJKSA-N	1	1	372.513	2.081	20	30		FEEDMO
C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)[C@@H]2C1	ZINC000425214587	559691711	/nfs/dbraw/zinc/69/17/11/559691711.db2.gz	JSZXMHFOLVZVGA-SWLSCSKDSA-N	1	1	373.400	2.292	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nn1	ZINC000425423105	559701333	/nfs/dbraw/zinc/70/13/33/559701333.db2.gz	YQWVGSUNJCUKOP-RDJZCZTQSA-N	1	1	354.458	2.099	20	30		FEEDMO
CC[N@H+](CCNC(=O)C(=O)Nc1ccc(F)cc1C#N)CCC(F)(F)F	ZINC000426460607	559734718	/nfs/dbraw/zinc/73/47/18/559734718.db2.gz	PEWFSOHAODBEEN-UHFFFAOYSA-N	1	1	374.338	2.026	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(F)cc1C#N)CCC(F)(F)F	ZINC000426460607	559734719	/nfs/dbraw/zinc/73/47/19/559734719.db2.gz	PEWFSOHAODBEEN-UHFFFAOYSA-N	1	1	374.338	2.026	20	30		FEEDMO
CCCn1ccnc1CCC[N@@H+](C)CC(=O)NCc1cccc(C#N)c1	ZINC000429241472	559793461	/nfs/dbraw/zinc/79/34/61/559793461.db2.gz	MFBRJKXARZYRTM-UHFFFAOYSA-N	1	1	353.470	2.346	20	30		FEEDMO
CC(C)n1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000429823281	559806433	/nfs/dbraw/zinc/80/64/33/559806433.db2.gz	DRFSWNWCEOJBIE-UHFFFAOYSA-N	1	1	352.442	2.079	20	30		FEEDMO
CC(C)n1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000429823281	559806434	/nfs/dbraw/zinc/80/64/34/559806434.db2.gz	DRFSWNWCEOJBIE-UHFFFAOYSA-N	1	1	352.442	2.079	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(C#N)o2)CC1	ZINC000429858715	559807236	/nfs/dbraw/zinc/80/72/36/559807236.db2.gz	JVWWAMGFYHEVLT-UHFFFAOYSA-N	1	1	352.438	2.219	20	30		FEEDMO
Cc1onc(CC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1C#N	ZINC000430104544	559813108	/nfs/dbraw/zinc/81/31/08/559813108.db2.gz	RRDGZAWHBGIXGA-MRXNPFEDSA-N	1	1	370.478	2.131	20	30		FEEDMO
Cc1onc(CC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1C#N	ZINC000430104544	559813109	/nfs/dbraw/zinc/81/31/09/559813109.db2.gz	RRDGZAWHBGIXGA-MRXNPFEDSA-N	1	1	370.478	2.131	20	30		FEEDMO
C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1	ZINC000435042437	559914832	/nfs/dbraw/zinc/91/48/32/559914832.db2.gz	MWXSDLRIBAXBAQ-QGZVFWFLSA-N	1	1	350.484	2.251	20	30		FEEDMO
C=CCOc1ccccc1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1	ZINC000435042437	559914833	/nfs/dbraw/zinc/91/48/33/559914833.db2.gz	MWXSDLRIBAXBAQ-QGZVFWFLSA-N	1	1	350.484	2.251	20	30		FEEDMO
Cc1nsc(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1C#N	ZINC000436489564	559943016	/nfs/dbraw/zinc/94/30/16/559943016.db2.gz	OOJVZLPQRNZIEX-UHFFFAOYSA-N	1	1	363.487	2.480	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N=c2ccn(CCC#N)[nH]2)C1	ZINC000438334685	559977491	/nfs/dbraw/zinc/97/74/91/559977491.db2.gz	MPMRZHSGGLLDLX-RDJZCZTQSA-N	1	1	352.442	2.754	20	30		FEEDMO
CCC(CC)[C@H](CNS(=O)(=O)c1c(F)cc(C#N)cc1F)[NH+](C)C	ZINC000440070864	560004269	/nfs/dbraw/zinc/00/42/69/560004269.db2.gz	AGJTWLMHVFXZJQ-HNNXBMFYSA-N	1	1	359.442	2.481	20	30		FEEDMO
CC(C)(C)OC(=O)CN[C@]1(C)CC[N@@H+](CCOc2ccc(C#N)cc2)C1	ZINC000440489913	560011991	/nfs/dbraw/zinc/01/19/91/560011991.db2.gz	GIBUIRZFJJVGSI-HXUWFJFHSA-N	1	1	359.470	2.333	20	30		FEEDMO
Cc1cc(C[NH2+]CCCCN2CCN(c3ncccn3)CC2)ccc1C#N	ZINC000443976666	560097990	/nfs/dbraw/zinc/09/79/90/560097990.db2.gz	DUHUQIFPJDRPKX-UHFFFAOYSA-N	1	1	364.497	2.349	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1cc(Br)cc(C#N)c1)C(C)C	ZINC000444165563	560103679	/nfs/dbraw/zinc/10/36/79/560103679.db2.gz	IFIQOABJBYXSJF-UHFFFAOYSA-N	1	1	374.304	2.329	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCCCC(C)(C)C#N)C1	ZINC000444602515	560116281	/nfs/dbraw/zinc/11/62/81/560116281.db2.gz	KBLMZPWSQCTDPI-MRXNPFEDSA-N	1	1	351.491	2.440	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[C@@H]1C	ZINC000447229142	560158204	/nfs/dbraw/zinc/15/82/04/560158204.db2.gz	GXCZJEFUQPFEET-JSGCOSHPSA-N	1	1	362.861	2.481	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000448323936	560184366	/nfs/dbraw/zinc/18/43/66/560184366.db2.gz	ZVKISBKVQLUTAW-HNNXBMFYSA-N	1	1	362.861	2.387	20	30		FEEDMO
C[C@H]1C[C@@]1(C#N)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000448739089	560197339	/nfs/dbraw/zinc/19/73/39/560197339.db2.gz	SHOOGDGUORNWNR-RXVVDRJESA-N	1	1	354.498	2.250	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000448857577	560203285	/nfs/dbraw/zinc/20/32/85/560203285.db2.gz	GHKJLGPBBBHZGN-HNNXBMFYSA-N	1	1	365.437	2.144	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)COc1ccc(C#N)c(Br)c1	ZINC000449840799	560242135	/nfs/dbraw/zinc/24/21/35/560242135.db2.gz	RWMJKZJQNFAUHO-UHFFFAOYSA-N	1	1	354.248	2.156	20	30		FEEDMO
CN(C(=O)c1ccc(C#N)n1C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000450229052	560254794	/nfs/dbraw/zinc/25/47/94/560254794.db2.gz	WDDPLFBOSKVOCN-MOPGFXCFSA-N	1	1	371.529	2.306	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cccc(C#N)c1[N+](=O)[O-]	ZINC000450341442	560259180	/nfs/dbraw/zinc/25/91/80/560259180.db2.gz	JXKZEAIDCXTJCN-HNNXBMFYSA-N	1	1	366.425	2.484	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ncc(C#N)cc1[N+](=O)[O-]	ZINC000450347711	560259433	/nfs/dbraw/zinc/25/94/33/560259433.db2.gz	IXKNQKAUWQTRQD-OAHLLOKOSA-N	1	1	366.425	2.484	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@@H](C)C[N@H+]1C	ZINC000450351556	560259474	/nfs/dbraw/zinc/25/94/74/560259474.db2.gz	VJYNITFSEUGVHU-VNHYZAJKSA-N	1	1	374.872	2.116	20	30		FEEDMO
C[C@@H]1[C@H](NC(=O)COc2cccc(Br)c2C#N)CCC[N@H+]1C	ZINC000450547013	560265773	/nfs/dbraw/zinc/26/57/73/560265773.db2.gz	LUOTZBZXGVSWRV-BXUZGUMPSA-N	1	1	366.259	2.298	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1	ZINC000450772319	560272787	/nfs/dbraw/zinc/27/27/87/560272787.db2.gz	KWKDGJPNQIZGGQ-SFHVURJKSA-N	1	1	355.486	2.032	20	30		FEEDMO
N#CCc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(Cl)c1	ZINC000451247507	560295628	/nfs/dbraw/zinc/29/56/28/560295628.db2.gz	MQZWCVSZCMXNNV-AWEZNQCLSA-N	1	1	351.859	2.041	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000451549112	560313796	/nfs/dbraw/zinc/31/37/96/560313796.db2.gz	OZJSKIIDYMXCJW-KRWDZBQOSA-N	1	1	369.425	2.430	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000451549112	560313797	/nfs/dbraw/zinc/31/37/97/560313797.db2.gz	OZJSKIIDYMXCJW-KRWDZBQOSA-N	1	1	369.425	2.430	20	30		FEEDMO
CC(C)OCCOC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000451949471	560340211	/nfs/dbraw/zinc/34/02/11/560340211.db2.gz	CCRCXXKONHSHIU-UHFFFAOYSA-N	1	1	359.470	2.080	20	30		FEEDMO
C=C(C)Cn1c(N2CC[NH+](CCOCC)CC2)nnc1[C@@]1(C)CCCO1	ZINC000453458923	560387268	/nfs/dbraw/zinc/38/72/68/560387268.db2.gz	BARBYEIBHCOMKR-LJQANCHMSA-N	1	1	363.506	2.038	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C(=O)Nc1cccc(CC#N)c1)C1CCCCC1	ZINC000453600108	560390561	/nfs/dbraw/zinc/39/05/61/560390561.db2.gz	NMABXADUKPWXEA-UHFFFAOYSA-N	1	1	356.470	2.462	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1	ZINC000453616898	560391458	/nfs/dbraw/zinc/39/14/58/560391458.db2.gz	HLRGLCKFGFXEAT-AWEZNQCLSA-N	1	1	356.470	2.432	20	30		FEEDMO
CC(C)(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1C#N	ZINC000453655449	560393895	/nfs/dbraw/zinc/39/38/95/560393895.db2.gz	SPZMOKNOWGQMLM-OAHLLOKOSA-N	1	1	370.453	2.027	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[N@H+]1C1CC1	ZINC000453681426	560396259	/nfs/dbraw/zinc/39/62/59/560396259.db2.gz	UYCIBLPBBKJVJV-WCQYABFASA-N	1	1	360.845	2.086	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)[C@H](C)C1	ZINC000453750362	560401562	/nfs/dbraw/zinc/40/15/62/560401562.db2.gz	RIQFXLVWJRHKQO-GFCCVEGCSA-N	1	1	362.499	2.408	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)[C@H](C)C1	ZINC000453750362	560401563	/nfs/dbraw/zinc/40/15/63/560401563.db2.gz	RIQFXLVWJRHKQO-GFCCVEGCSA-N	1	1	362.499	2.408	20	30		FEEDMO
CC1(C)CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000454066052	560426197	/nfs/dbraw/zinc/42/61/97/560426197.db2.gz	HHDIGXROYXEWJS-UHFFFAOYSA-N	1	1	362.861	2.335	20	30		FEEDMO
COCCN(CC#N)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000457209329	560555987	/nfs/dbraw/zinc/55/59/87/560555987.db2.gz	YPNSEHKYRDPCPG-MRXNPFEDSA-N	1	1	351.397	2.142	20	30		FEEDMO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCCC[N@H+](C)C1CC1	ZINC000457212198	560556153	/nfs/dbraw/zinc/55/61/53/560556153.db2.gz	XHXMVKPCLJSBPF-UHFFFAOYSA-N	1	1	368.485	2.141	20	30		FEEDMO
Cc1cc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ncc1C#N	ZINC000457470774	560568805	/nfs/dbraw/zinc/56/88/05/560568805.db2.gz	FGMWCGWEAMCBIE-MRXNPFEDSA-N	1	1	364.449	2.412	20	30		FEEDMO
Cc1cc(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ncc1C#N	ZINC000457470774	560568806	/nfs/dbraw/zinc/56/88/06/560568806.db2.gz	FGMWCGWEAMCBIE-MRXNPFEDSA-N	1	1	364.449	2.412	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000458363087	560617095	/nfs/dbraw/zinc/61/70/95/560617095.db2.gz	KFKKPADQYYQSPQ-KRWDZBQOSA-N	1	1	367.534	2.426	20	30		FEEDMO
C=C(CC)CNC(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1	ZINC000459084957	560666047	/nfs/dbraw/zinc/66/60/47/560666047.db2.gz	UYAYVCDRJWCHII-GJZGRUSLSA-N	1	1	364.469	2.067	20	30		FEEDMO
COC(=O)c1cccc2c1CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C2	ZINC000459544419	560693300	/nfs/dbraw/zinc/69/33/00/560693300.db2.gz	ZGPRUCGNBOJEOK-KRWDZBQOSA-N	1	1	366.417	2.143	20	30		FEEDMO
COC(=O)c1cccc2c1CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C2	ZINC000459544419	560693301	/nfs/dbraw/zinc/69/33/01/560693301.db2.gz	ZGPRUCGNBOJEOK-KRWDZBQOSA-N	1	1	366.417	2.143	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000459912473	560718983	/nfs/dbraw/zinc/71/89/83/560718983.db2.gz	YBFYRUVKJUJBPP-RTBURBONSA-N	1	1	355.482	2.144	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1	ZINC000460379398	560742731	/nfs/dbraw/zinc/74/27/31/560742731.db2.gz	HQOXRJUAJQHBOB-HOTGVXAUSA-N	1	1	362.522	2.301	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1	ZINC000460379399	560742750	/nfs/dbraw/zinc/74/27/50/560742750.db2.gz	HQOXRJUAJQHBOB-HZPDHXFCSA-N	1	1	362.522	2.301	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1	ZINC000461925567	560788278	/nfs/dbraw/zinc/78/82/78/560788278.db2.gz	IZCHWUXCHLASIC-UHFFFAOYSA-N	1	1	354.410	2.439	20	30		FEEDMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]2C#N)c1	ZINC000461960236	560789898	/nfs/dbraw/zinc/78/98/98/560789898.db2.gz	SXSKLKJVDDREBZ-IEBWSBKVSA-N	1	1	374.485	2.135	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1C#N	ZINC000470091671	560974168	/nfs/dbraw/zinc/97/41/68/560974168.db2.gz	HYCNZYANEHNUCG-CYBMUJFWSA-N	1	1	374.510	2.081	20	30		FEEDMO
C[C@@H]1C[C@H](CCNC(=O)c2cnn(C)c2C#N)C[N@H+]1Cc1ccccc1	ZINC000476453281	561119850	/nfs/dbraw/zinc/11/98/50/561119850.db2.gz	CEPXFGKTQILTCK-WBVHZDCISA-N	1	1	351.454	2.322	20	30		FEEDMO
CN(C)c1[nH+]cnc2c1cc(C(=O)N(CCC#N)Cc1ccco1)n2C	ZINC000476795139	561128638	/nfs/dbraw/zinc/12/86/38/561128638.db2.gz	VHFLGLOSTXGNAG-UHFFFAOYSA-N	1	1	352.398	2.183	20	30		FEEDMO
COc1ccc2c(c1)CC[N@H+](C[C@H](O)COc1ccccc1C#N)CC2	ZINC000528422166	562328482	/nfs/dbraw/zinc/32/84/82/562328482.db2.gz	IRZOMCHWTCXACJ-IBGZPJMESA-N	1	1	352.434	2.407	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000528438802	562329326	/nfs/dbraw/zinc/32/93/26/562329326.db2.gz	NFFYUHXHLIQMKY-AZUAARDMSA-N	1	1	356.397	2.031	20	30		FEEDMO
CC(C)C[C@@]1(CO)CCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528469887	562330933	/nfs/dbraw/zinc/33/09/33/562330933.db2.gz	CJGCQQVLOCKPDF-OAQYLSRUSA-N	1	1	354.450	2.159	20	30		FEEDMO
C[C@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528523014	562333721	/nfs/dbraw/zinc/33/37/21/562333721.db2.gz	XJWQRWHMFJMCRH-GDBMZVCRSA-N	1	1	371.403	2.114	20	30		FEEDMO
CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCN(O)C1=O	ZINC000529426147	562373589	/nfs/dbraw/zinc/37/35/89/562373589.db2.gz	GAXMQFRQDPOPJE-QRVBRYPASA-N	1	1	373.497	2.277	20	30		FEEDMO
CC(C)[C@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC[N@H+]1Cc1ccccc1	ZINC000529806192	562386271	/nfs/dbraw/zinc/38/62/71/562386271.db2.gz	ZPFQLSDEQKDNCR-FUHWJXTLSA-N	1	1	366.469	2.080	20	30		FEEDMO
Cn1ncc2cc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cnc21	ZINC000530860843	562426558	/nfs/dbraw/zinc/42/65/58/562426558.db2.gz	NOACZCZTIZUZAK-UHFFFAOYSA-N	1	1	374.448	2.188	20	30		FEEDMO
Cn1ncc2cc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cnc21	ZINC000530860843	562426559	/nfs/dbraw/zinc/42/65/59/562426559.db2.gz	NOACZCZTIZUZAK-UHFFFAOYSA-N	1	1	374.448	2.188	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)C3(C#N)CC(C)C3)C2)cc(OC)c1	ZINC000531821722	562458019	/nfs/dbraw/zinc/45/80/19/562458019.db2.gz	GJBAUPVOQKOHEI-FXUPRZHBSA-N	1	1	357.454	2.334	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)C3(C#N)CC(C)C3)C2)cc(OC)c1	ZINC000531821722	562458020	/nfs/dbraw/zinc/45/80/20/562458020.db2.gz	GJBAUPVOQKOHEI-FXUPRZHBSA-N	1	1	357.454	2.334	20	30		FEEDMO
C=C(C)COCCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000532396938	562476395	/nfs/dbraw/zinc/47/63/95/562476395.db2.gz	LJGVBPNZYSGEBL-HKUYNNGSSA-N	1	1	361.486	2.168	20	30		FEEDMO
C=C(C)COCCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000532396938	562476396	/nfs/dbraw/zinc/47/63/96/562476396.db2.gz	LJGVBPNZYSGEBL-HKUYNNGSSA-N	1	1	361.486	2.168	20	30		FEEDMO
COC[C@H]1CC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000532583952	562482284	/nfs/dbraw/zinc/48/22/84/562482284.db2.gz	OWYQXIASYOMNQV-HNNXBMFYSA-N	1	1	354.372	2.141	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1	ZINC000533304158	562504574	/nfs/dbraw/zinc/50/45/74/562504574.db2.gz	UGGSYJZZOYNLLE-HUUCEWRRSA-N	1	1	374.510	2.335	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1	ZINC000533304158	562504575	/nfs/dbraw/zinc/50/45/75/562504575.db2.gz	UGGSYJZZOYNLLE-HUUCEWRRSA-N	1	1	374.510	2.335	20	30		FEEDMO
CCC[C@H]1CN(Cc2cccc(C(=O)OC)c2C#N)CC[N@H+]1CCOC	ZINC000535755896	562566818	/nfs/dbraw/zinc/56/68/18/562566818.db2.gz	VGFLUIXXEZPWTC-KRWDZBQOSA-N	1	1	359.470	2.278	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1	ZINC000537260303	562588981	/nfs/dbraw/zinc/58/89/81/562588981.db2.gz	DZXFJOJXEUTXHJ-UHFFFAOYSA-N	1	1	373.456	2.403	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@@H](C)C1	ZINC000541921108	562623396	/nfs/dbraw/zinc/62/33/96/562623396.db2.gz	ZOPGGBYGSBQVSE-WMZOPIPTSA-N	1	1	350.507	2.459	20	30		FEEDMO
CCN(CC)C(=O)CCC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000542042450	562625926	/nfs/dbraw/zinc/62/59/26/562625926.db2.gz	UHKHJOPZPABWRA-FQEVSTJZSA-N	1	1	370.497	2.445	20	30		FEEDMO
CC1(C)[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000603117819	568063687	/nfs/dbraw/zinc/06/36/87/568063687.db2.gz	PMTZBQWCMNBCKF-ROUUACIJSA-N	1	1	353.466	2.471	20	30		FEEDMO
C[N@@H+](Cc1cn(C[C@H](O)CC2(C#N)CCOCC2)nn1)C1CCCCC1	ZINC000603265746	568083502	/nfs/dbraw/zinc/08/35/02/568083502.db2.gz	BUMDIWSILNLWTK-GOSISDBHSA-N	1	1	361.490	2.114	20	30		FEEDMO
CC(C)CC[N@@H+](CCC#N)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1	ZINC000820076154	599639863	/nfs/dbraw/zinc/63/98/63/599639863.db2.gz	CWXKSRAGIGEWIP-UHFFFAOYSA-N	1	1	355.446	2.457	20	30		FEEDMO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000819743582	599698293	/nfs/dbraw/zinc/69/82/93/599698293.db2.gz	MPSUARAUNCDBFR-GASCZTMLSA-N	1	1	354.458	2.254	20	30		FEEDMO
C#C[C@H]([NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)C(C)(C)C	ZINC000809782732	674509671	/nfs/dbraw/zinc/50/96/71/674509671.db2.gz	FTSWHBKPSFBGHO-OCCSQVGLSA-N	1	1	357.907	2.342	20	30		FEEDMO
C[C@H]1CCc2c(sc(NC(=O)CC[N@H+](C)CCC#N)c2-c2nn[nH]n2)C1	ZINC000820727907	606331584	/nfs/dbraw/zinc/33/15/84/606331584.db2.gz	QPDKNQVHWKAHOA-NSHDSACASA-N	1	1	373.486	2.227	20	30		FEEDMO
C[C@H]1CCc2c(sc(NC(=O)CC[N@@H+](C)CCC#N)c2-c2nn[nH]n2)C1	ZINC000820727907	606331586	/nfs/dbraw/zinc/33/15/86/606331586.db2.gz	QPDKNQVHWKAHOA-NSHDSACASA-N	1	1	373.486	2.227	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(Cl)cc1	ZINC000811904773	674637855	/nfs/dbraw/zinc/63/78/55/674637855.db2.gz	MRHZIIUNXVPWTR-YJBOKZPZSA-N	1	1	362.905	2.340	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C	ZINC000814134081	674821220	/nfs/dbraw/zinc/82/12/20/674821220.db2.gz	ZYOMUBJJFCFSCU-HOTGVXAUSA-N	1	1	351.491	2.284	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C	ZINC000814134081	674821226	/nfs/dbraw/zinc/82/12/26/674821226.db2.gz	ZYOMUBJJFCFSCU-HOTGVXAUSA-N	1	1	351.491	2.284	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=C1CC[C@H](c2ccccc2)C1	ZINC000814727938	674876920	/nfs/dbraw/zinc/87/69/20/674876920.db2.gz	FQHJHOVXSYJISB-KRWDZBQOSA-N	1	1	360.527	2.497	20	30		FEEDMO
CC(C)(C)[C@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)CS1	ZINC000814728478	674876939	/nfs/dbraw/zinc/87/69/39/674876939.db2.gz	YGBPPQRYGBMJEE-CQSZACIVSA-N	1	1	358.577	2.080	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2C1	ZINC001048825714	675015665	/nfs/dbraw/zinc/01/56/65/675015665.db2.gz	DQQHLGKVAZLCEG-ATLSCFEFSA-N	1	1	361.511	2.057	20	30		FEEDMO
C=CCn1c(CC(F)(F)F)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1	ZINC000564963466	675082436	/nfs/dbraw/zinc/08/24/36/675082436.db2.gz	LQWAHILZZDVMGV-UHFFFAOYSA-N	1	1	361.412	2.116	20	30		FEEDMO
C=CCn1c(CC(F)(F)F)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1	ZINC000564963466	675082438	/nfs/dbraw/zinc/08/24/38/675082438.db2.gz	LQWAHILZZDVMGV-UHFFFAOYSA-N	1	1	361.412	2.116	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)cc1	ZINC000573507203	671131093	/nfs/dbraw/zinc/13/10/93/671131093.db2.gz	SKJCRRQTVALJPH-SFHVURJKSA-N	1	1	359.426	2.174	20	30		FEEDMO
CCC[NH+]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1	ZINC000573820334	671169014	/nfs/dbraw/zinc/16/90/14/671169014.db2.gz	ROVJZCSHCASBSN-UHFFFAOYSA-N	1	1	362.499	2.410	20	30		FEEDMO
CC(C)Oc1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)ccn1	ZINC000566117764	675183078	/nfs/dbraw/zinc/18/30/78/675183078.db2.gz	XGMIZXYPBVBYKG-UHFFFAOYSA-N	1	1	359.451	2.304	20	30		FEEDMO
CSc1ccc(F)cc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000574869065	671282242	/nfs/dbraw/zinc/28/22/42/671282242.db2.gz	LOXKGJXKLLMQLC-UHFFFAOYSA-N	1	1	365.455	2.378	20	30		FEEDMO
C=CCN1CC[C@@H]([NH+]2CCN(c3cccc(Br)c3)CC2)C1=O	ZINC000576127757	671346142	/nfs/dbraw/zinc/34/61/42/671346142.db2.gz	CGWIRSFMTHSYFB-MRXNPFEDSA-N	1	1	364.287	2.358	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[N@H+](C)CCCC)cc1	ZINC000577252666	671426936	/nfs/dbraw/zinc/42/69/36/671426936.db2.gz	SYGKAFAWUXHPIA-OAHLLOKOSA-N	1	1	367.515	2.001	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)NC1CCN(CC#N)CC1)c1ccccc1Cl	ZINC000609339532	675918899	/nfs/dbraw/zinc/91/88/99/675918899.db2.gz	CJQDSUGOEKXQCL-KRWDZBQOSA-N	1	1	363.893	2.230	20	30		FEEDMO
COc1ccc(OC)c(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1	ZINC000581285399	671881465	/nfs/dbraw/zinc/88/14/65/671881465.db2.gz	HETONWYKHKDKOY-UHFFFAOYSA-N	1	1	360.435	2.139	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(F)c2C#N)C1	ZINC000128713973	672052121	/nfs/dbraw/zinc/05/21/21/672052121.db2.gz	RFWUGQOXTBHWAU-AWEZNQCLSA-N	1	1	353.463	2.344	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1C(F)(F)F	ZINC000610583893	675982903	/nfs/dbraw/zinc/98/29/03/675982903.db2.gz	UVDMHMRARRRLEZ-ZDUSSCGKSA-N	1	1	373.400	2.340	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O	ZINC000585800959	672236162	/nfs/dbraw/zinc/23/61/62/672236162.db2.gz	YVWRZYPUNXVWLQ-OAGGEKHMSA-N	1	1	363.483	2.200	20	30		FEEDMO
C=CCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000167072236	672320092	/nfs/dbraw/zinc/32/00/92/672320092.db2.gz	VLXCFMZWNWFRBX-MSOLQXFVSA-N	1	1	357.564	2.161	20	30		FEEDMO
C=CCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1	ZINC000167072236	672320094	/nfs/dbraw/zinc/32/00/94/672320094.db2.gz	VLXCFMZWNWFRBX-MSOLQXFVSA-N	1	1	357.564	2.161	20	30		FEEDMO
C=CCOCCNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000679607086	672509775	/nfs/dbraw/zinc/50/97/75/672509775.db2.gz	QLTWHABYZLZLFZ-UHFFFAOYSA-N	1	1	353.507	2.302	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)NCC(C)(C)CC#N)c2cccs2)CC1	ZINC000590903496	672630987	/nfs/dbraw/zinc/63/09/87/672630987.db2.gz	HMJAKMGOGUAGCN-HNNXBMFYSA-N	1	1	363.531	2.276	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H](CCO)c2ccccc2F)cc1	ZINC000592159083	672765703	/nfs/dbraw/zinc/76/57/03/672765703.db2.gz	BBQQCWMTSBVBLJ-GOSISDBHSA-N	1	1	362.426	2.184	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](CCCC)[C@H]1CCc2ncsc2C1	ZINC000592188382	672769460	/nfs/dbraw/zinc/76/94/60/672769460.db2.gz	OIWHOJLXCKWGCZ-ZDUSSCGKSA-N	1	1	350.488	2.114	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000245198509	672817647	/nfs/dbraw/zinc/81/76/47/672817647.db2.gz	NSXJKUUYCDFIEL-HUUCEWRRSA-N	1	1	352.479	2.078	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000245198509	672817653	/nfs/dbraw/zinc/81/76/53/672817653.db2.gz	NSXJKUUYCDFIEL-HUUCEWRRSA-N	1	1	352.479	2.078	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@H](C)C1	ZINC000612128153	676069924	/nfs/dbraw/zinc/06/99/24/676069924.db2.gz	ZSEMMZPNAIKYMS-AOIWGVFYSA-N	1	1	350.507	2.459	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CON=Cc2ccc(Cl)cc2)C1	ZINC000254942787	672881031	/nfs/dbraw/zinc/88/10/31/672881031.db2.gz	SFBQVHWUAUBMRR-QGZVFWFLSA-N	1	1	367.877	2.164	20	30		FEEDMO
C[NH+]=C(NCC1(N2CCSCC2)CCCCC1)N(C)C[C@H]1CCOC1	ZINC000261688204	672901246	/nfs/dbraw/zinc/90/12/46/672901246.db2.gz	RJMVPFMUFBRRCN-QGZVFWFLSA-N	1	1	368.591	2.282	20	30		FEEDMO
C[NH+]=C(NCC1(N2CCSCC2)CCCCC1)N(C)C[C@@H]1CCOC1	ZINC000261688201	672901364	/nfs/dbraw/zinc/90/13/64/672901364.db2.gz	RJMVPFMUFBRRCN-KRWDZBQOSA-N	1	1	368.591	2.282	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2C#N)CC[N@H+]1C	ZINC000593486375	672930047	/nfs/dbraw/zinc/93/00/47/672930047.db2.gz	URJLVUHKFNXBQZ-XHDPSFHLSA-N	1	1	350.260	2.462	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)c1ccsc1C#N)CCC(F)(F)F	ZINC000593585125	672951295	/nfs/dbraw/zinc/95/12/95/672951295.db2.gz	LKZFRNGFFRHBSJ-UHFFFAOYSA-N	1	1	355.407	2.172	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1ccsc1C#N)CCC(F)(F)F	ZINC000593585125	672951298	/nfs/dbraw/zinc/95/12/98/672951298.db2.gz	LKZFRNGFFRHBSJ-UHFFFAOYSA-N	1	1	355.407	2.172	20	30		FEEDMO
C#CCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000288422389	672986144	/nfs/dbraw/zinc/98/61/44/672986144.db2.gz	SAIVCQVVQRUULZ-HNNXBMFYSA-N	1	1	360.401	2.222	20	30		FEEDMO
C#CCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000288422389	672986148	/nfs/dbraw/zinc/98/61/48/672986148.db2.gz	SAIVCQVVQRUULZ-HNNXBMFYSA-N	1	1	360.401	2.222	20	30		FEEDMO
CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000612611342	676090263	/nfs/dbraw/zinc/09/02/63/676090263.db2.gz	NMFDJGZEVNQZIB-KRWDZBQOSA-N	1	1	360.889	2.452	20	30		FEEDMO
CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000612611342	676090266	/nfs/dbraw/zinc/09/02/66/676090266.db2.gz	NMFDJGZEVNQZIB-KRWDZBQOSA-N	1	1	360.889	2.452	20	30		FEEDMO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1	ZINC000594325721	673058554	/nfs/dbraw/zinc/05/85/54/673058554.db2.gz	ITEHOFJXXVESPS-GDBMZVCRSA-N	1	1	360.845	2.283	20	30		FEEDMO
CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC3(CCCCC3)O2)CC1	ZINC000330039298	673085305	/nfs/dbraw/zinc/08/53/05/673085305.db2.gz	FIAFQYVQIBBWQF-DLBZAZTESA-N	1	1	353.507	2.171	20	30		FEEDMO
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12	ZINC000594483025	673086855	/nfs/dbraw/zinc/08/68/55/673086855.db2.gz	HPZGUWTUUUIQAN-SJORKVTESA-N	1	1	351.447	2.134	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1=O	ZINC000348579706	673116437	/nfs/dbraw/zinc/11/64/37/673116437.db2.gz	YEODMAVQLAZBGQ-YCPHGPKFSA-N	1	1	363.483	2.254	20	30		FEEDMO
CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000595353967	673231063	/nfs/dbraw/zinc/23/10/63/673231063.db2.gz	KQZPGNYIAPUYFC-NSHDSACASA-N	1	1	372.288	2.083	20	30		FEEDMO
CC1(c2ccccc2)CC(=NNC(=S)NCCC[NH+]2CCOCC2)C1	ZINC000729635879	673241994	/nfs/dbraw/zinc/24/19/94/673241994.db2.gz	QTFQDIWXHPGIGW-UHFFFAOYSA-N	1	1	360.527	2.281	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1F	ZINC000595411448	673246158	/nfs/dbraw/zinc/24/61/58/673246158.db2.gz	QBGXDQISGAEECR-CQSZACIVSA-N	1	1	351.447	2.098	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@H](O)CN1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000595468251	673255078	/nfs/dbraw/zinc/25/50/78/673255078.db2.gz	YFQUHALTLOGHGU-INIZCTEOSA-N	1	1	350.894	2.035	20	30		FEEDMO
C#CCN1CCC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000730283624	673269141	/nfs/dbraw/zinc/26/91/41/673269141.db2.gz	DVOZMNBXCRTQNN-SFHVURJKSA-N	1	1	360.889	2.128	20	30		FEEDMO
C[C@@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)C1=CC[N@@H+](C)CC1	ZINC000595581485	673269548	/nfs/dbraw/zinc/26/95/48/673269548.db2.gz	LGXBDFKRLZPLTM-CQSZACIVSA-N	1	1	359.499	2.102	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1	ZINC000595628926	673275949	/nfs/dbraw/zinc/27/59/49/673275949.db2.gz	LMZBMLRPSBQCNU-MJBXVCDLSA-N	1	1	362.392	2.249	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1	ZINC000595628926	673275951	/nfs/dbraw/zinc/27/59/51/673275951.db2.gz	LMZBMLRPSBQCNU-MJBXVCDLSA-N	1	1	362.392	2.249	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000595704370	673283882	/nfs/dbraw/zinc/28/38/82/673283882.db2.gz	QARVUMXCKNBKFQ-AWEZNQCLSA-N	1	1	361.515	2.324	20	30		FEEDMO
CCOCCC[N@H+]1CCC(=NNS(=O)(=O)Cc2ccccc2)[C@H](C)C1	ZINC000735229828	673486939	/nfs/dbraw/zinc/48/69/39/673486939.db2.gz	SKHISWIQAUAETO-MRXNPFEDSA-N	1	1	367.515	2.230	20	30		FEEDMO
N#Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cnc1C(F)(F)F	ZINC000597577442	673489226	/nfs/dbraw/zinc/48/92/26/673489226.db2.gz	GNEIAELPEGASTF-QWHCGFSZSA-N	1	1	356.323	2.230	20	30		FEEDMO
CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CC[N@@H+](C)C1	ZINC000597947454	673522567	/nfs/dbraw/zinc/52/25/67/673522567.db2.gz	YSAVOALSHUZAHZ-ZDUSSCGKSA-N	1	1	366.259	2.252	20	30		FEEDMO
CC[NH+]1CCN(c2ccc(C(=O)N3CCSC[C@H]3C#N)cc2F)CC1	ZINC000540432001	673539153	/nfs/dbraw/zinc/53/91/53/673539153.db2.gz	SNTLKMCUAPTWDN-OAHLLOKOSA-N	1	1	362.474	2.049	20	30		FEEDMO
CCOC(=O)C1([N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)CCCCC1	ZINC000599330472	673660134	/nfs/dbraw/zinc/66/01/34/673660134.db2.gz	ADTJGKUSMRHOOU-INIZCTEOSA-N	1	1	352.475	2.256	20	30		FEEDMO
CC(C)(C)OC(=O)C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)CC1CC1	ZINC000599450975	673676884	/nfs/dbraw/zinc/67/68/84/673676884.db2.gz	QDGMNPTYCABLTA-INIZCTEOSA-N	1	1	352.475	2.111	20	30		FEEDMO
CC(C)(C)OC(=O)C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)CC1CC1	ZINC000599450975	673676885	/nfs/dbraw/zinc/67/68/85/673676885.db2.gz	QDGMNPTYCABLTA-INIZCTEOSA-N	1	1	352.475	2.111	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1	ZINC000599646021	673701634	/nfs/dbraw/zinc/70/16/34/673701634.db2.gz	YKQVGGYUVUAIIN-MCIONIFRSA-N	1	1	360.483	2.073	20	30		FEEDMO
N#CC1(CS(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCCC1	ZINC000544750819	673730623	/nfs/dbraw/zinc/73/06/23/673730623.db2.gz	ZDRCPVXYNRHSNM-UHFFFAOYSA-N	1	1	362.499	2.049	20	30		FEEDMO
N#Cc1ccc(SCC(=O)N2CCC([N@H+]3CCCOCC3)CC2)cc1	ZINC000600006793	673733655	/nfs/dbraw/zinc/73/36/55/673733655.db2.gz	HTBCRMFKOHLKRE-UHFFFAOYSA-N	1	1	359.495	2.364	20	30		FEEDMO
COCC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1	ZINC000546035372	673787593	/nfs/dbraw/zinc/78/75/93/673787593.db2.gz	XGAGLILQLFEWLY-UHFFFAOYSA-N	1	1	354.372	2.284	20	30		FEEDMO
COCC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1	ZINC000546035372	673787594	/nfs/dbraw/zinc/78/75/94/673787594.db2.gz	XGAGLILQLFEWLY-UHFFFAOYSA-N	1	1	354.372	2.284	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNS(=O)(=O)c1c(C)cc(F)cc1C#N	ZINC000601356250	673847183	/nfs/dbraw/zinc/84/71/83/673847183.db2.gz	KUTAMFZRKIYEEZ-UHFFFAOYSA-N	1	1	350.419	2.269	20	30		FEEDMO
N#Cc1c(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc2n1CCS2	ZINC000602260630	673903815	/nfs/dbraw/zinc/90/38/15/673903815.db2.gz	MUYOWXXAPVLXFL-CQSZACIVSA-N	1	1	353.451	2.321	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](n3ccnn3)CC2)C1=O	ZINC000602891833	673913079	/nfs/dbraw/zinc/91/30/79/673913079.db2.gz	JOZMYYMZIUTITJ-CABCVRRESA-N	1	1	356.455	2.044	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](n3ccnn3)CC2)C1=O	ZINC000602891833	673913083	/nfs/dbraw/zinc/91/30/83/673913083.db2.gz	JOZMYYMZIUTITJ-CABCVRRESA-N	1	1	356.455	2.044	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@]1(CC)CCCN1C(=O)OC(C)(C)C	ZINC000818592845	675226540	/nfs/dbraw/zinc/22/65/40/675226540.db2.gz	BHFXYGBBTIASDZ-IBGZPJMESA-N	1	1	351.491	2.237	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CSc1nccn1-c1ccccc1C	ZINC000818595970	675227163	/nfs/dbraw/zinc/22/71/63/675227163.db2.gz	WYVKDSFNISNJTL-UHFFFAOYSA-N	1	1	356.495	2.344	20	30		FEEDMO
C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1nc(-c2ccc(Cl)cc2)no1	ZINC000819124066	675262810	/nfs/dbraw/zinc/26/28/10/675262810.db2.gz	LCIMLUKAYUVWSX-WFASDCNBSA-N	1	1	363.849	2.247	20	30		FEEDMO
C#C[C@H](NC(=O)N1CC[NH+](CC)CC1)c1ccc(Br)cc1	ZINC000820626816	675375282	/nfs/dbraw/zinc/37/52/82/675375282.db2.gz	XCXMDAPUIYAVNJ-HNNXBMFYSA-N	1	1	350.260	2.471	20	30		FEEDMO
C#C[C@H](NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C)c1ccc(Cl)cc1F	ZINC000820749404	675384739	/nfs/dbraw/zinc/38/47/39/675384739.db2.gz	AMCRRSUQDMIMBT-AHIWAGSCSA-N	1	1	367.852	2.250	20	30		FEEDMO
C=C(C)Cn1c(-c2sccc2C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1	ZINC000569006062	675417020	/nfs/dbraw/zinc/41/70/20/675417020.db2.gz	HSFLVIFWWZAMQH-OAHLLOKOSA-N	1	1	359.499	2.412	20	30		FEEDMO
C=C(C)Cn1c(-c2sccc2C)nnc1N1CC[N@H+]2CCOC[C@H]2C1	ZINC000569006062	675417021	/nfs/dbraw/zinc/41/70/21/675417021.db2.gz	HSFLVIFWWZAMQH-OAHLLOKOSA-N	1	1	359.499	2.412	20	30		FEEDMO
NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C#Cc2cccs2)c1	ZINC000825389890	675650082	/nfs/dbraw/zinc/65/00/82/675650082.db2.gz	WEYMOMMLHUTDQI-QGZVFWFLSA-N	1	1	353.447	2.188	20	30		FEEDMO
NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C#Cc2cccs2)c1	ZINC000825389890	675650083	/nfs/dbraw/zinc/65/00/83/675650083.db2.gz	WEYMOMMLHUTDQI-QGZVFWFLSA-N	1	1	353.447	2.188	20	30		FEEDMO
N#Cc1ccc(N[C@H]2CC[N@H+](C3CCCCC3)C2)c(CS(N)(=O)=O)c1	ZINC000603415293	675798392	/nfs/dbraw/zinc/79/83/92/675798392.db2.gz	YGQQKXVXIDYULN-INIZCTEOSA-N	1	1	362.499	2.166	20	30		FEEDMO
O=C(C[N@H+](CCCO)C1CC1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000607153076	675856105	/nfs/dbraw/zinc/85/61/05/675856105.db2.gz	QPXQBLPDKGOYTQ-UHFFFAOYSA-N	1	1	354.372	2.020	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H]1C	ZINC000616419010	676249648	/nfs/dbraw/zinc/24/96/48/676249648.db2.gz	HASOOBYQOBUHTL-XJKSGUPXSA-N	1	1	353.463	2.332	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)c1cccc(CC#N)c1)Cc1ccc(F)cc1	ZINC000619489074	676380657	/nfs/dbraw/zinc/38/06/57/676380657.db2.gz	AYBZLTMRGHPNRK-UHFFFAOYSA-N	1	1	361.442	2.302	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)c1cccc(CC#N)c1)Cc1ccc(F)cc1	ZINC000619489074	676380658	/nfs/dbraw/zinc/38/06/58/676380658.db2.gz	AYBZLTMRGHPNRK-UHFFFAOYSA-N	1	1	361.442	2.302	20	30		FEEDMO
CN(C)CC[NH+]1CCC(NC(=O)NCc2ccc(C#N)c(Cl)c2)CC1	ZINC000619811854	676395698	/nfs/dbraw/zinc/39/56/98/676395698.db2.gz	KXAOGUNSLHJYJI-UHFFFAOYSA-N	1	1	363.893	2.037	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1	ZINC000625368750	676643165	/nfs/dbraw/zinc/64/31/65/676643165.db2.gz	NOGODKABRHBVMD-MRXNPFEDSA-N	1	1	361.511	2.396	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cscc2Br)CC1	ZINC000631909245	676963439	/nfs/dbraw/zinc/96/34/39/676963439.db2.gz	YWGHEKOLBVGPEB-UHFFFAOYSA-N	1	1	365.318	2.439	20	30		FEEDMO
C=CCn1cc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)nn1	ZINC000652032497	677468353	/nfs/dbraw/zinc/46/83/53/677468353.db2.gz	ZFAGBMPEUBWGTE-OAHLLOKOSA-N	1	1	359.499	2.428	20	30		FEEDMO
C=CC[N@@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000839516012	680758661	/nfs/dbraw/zinc/75/86/61/680758661.db2.gz	FIMBMIAJWRJBFJ-HOTGVXAUSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CC[N@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000839516012	680758663	/nfs/dbraw/zinc/75/86/63/680758663.db2.gz	FIMBMIAJWRJBFJ-HOTGVXAUSA-N	1	1	372.531	2.309	20	30		FEEDMO
C[C@H](CCC#N)[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000839476215	680754903	/nfs/dbraw/zinc/75/49/03/680754903.db2.gz	BKPCMXYZBGVGDP-HUUCEWRRSA-N	1	1	352.479	2.032	20	30		FEEDMO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CN(CC(C)C)CCO1	ZINC000661118440	678437278	/nfs/dbraw/zinc/43/72/78/678437278.db2.gz	DVNIZHUBITUDIP-GUDVDZBRSA-N	1	1	351.535	2.184	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O	ZINC000839973980	680791020	/nfs/dbraw/zinc/79/10/20/680791020.db2.gz	NFCCSTVXQLSRAZ-HNNXBMFYSA-N	1	1	352.479	2.104	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O	ZINC000839973980	680791022	/nfs/dbraw/zinc/79/10/22/680791022.db2.gz	NFCCSTVXQLSRAZ-HNNXBMFYSA-N	1	1	352.479	2.104	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@@H]2CN(Cc3ccc(C#N)s3)CC2(C)C)CC[N@H+]1C	ZINC000974604056	679962786	/nfs/dbraw/zinc/96/27/86/679962786.db2.gz	DLPGZRYRNCIZJS-KBRIMQKVSA-N	1	1	360.527	2.287	20	30		FEEDMO
C=C(C)[C@@H](CO)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2	ZINC000832031415	680079285	/nfs/dbraw/zinc/07/92/85/680079285.db2.gz	ZTIUUOFPCBWKBV-HZPDHXFCSA-N	1	1	354.491	2.177	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccsc1	ZINC000976221154	680123684	/nfs/dbraw/zinc/12/36/84/680123684.db2.gz	PKBBRQDNTOFWJC-ZACQAIPSSA-N	1	1	359.495	2.003	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccsc1	ZINC000976221154	680123687	/nfs/dbraw/zinc/12/36/87/680123687.db2.gz	PKBBRQDNTOFWJC-ZACQAIPSSA-N	1	1	359.495	2.003	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(F)c1C#N)c1ccc(F)cc1	ZINC000751020579	680148631	/nfs/dbraw/zinc/14/86/31/680148631.db2.gz	ISPVSKGAQMITIC-MRXNPFEDSA-N	1	1	365.405	2.418	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@H]21	ZINC000978715649	680179226	/nfs/dbraw/zinc/17/92/26/680179226.db2.gz	IPZXSLWXRPBRHX-ZSAUSMIDSA-N	1	1	367.902	2.182	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@H]21	ZINC000978715649	680179228	/nfs/dbraw/zinc/17/92/28/680179228.db2.gz	IPZXSLWXRPBRHX-ZSAUSMIDSA-N	1	1	367.902	2.182	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1	ZINC000994091729	680215776	/nfs/dbraw/zinc/21/57/76/680215776.db2.gz	ITQMTAUCQOAIOW-RRCSTGOVSA-N	1	1	369.937	2.316	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2csnn2)C1	ZINC001022834454	680240965	/nfs/dbraw/zinc/24/09/65/680240965.db2.gz	UIUOCFVQQLTYCE-HAFSJTIUSA-N	1	1	350.488	2.207	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCc2scnc2C)C1	ZINC001023599520	680265020	/nfs/dbraw/zinc/26/50/20/680265020.db2.gz	MRPKBMQVJWBGEV-ZACQAIPSSA-N	1	1	363.527	2.413	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@@H](CC)OC)C[C@]2(C)C1	ZINC000982574983	680281306	/nfs/dbraw/zinc/28/13/06/680281306.db2.gz	QRKYYLRMXRAEHI-VROUVPMXSA-N	1	1	350.503	2.173	20	30		FEEDMO
C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C[C@@]2(C)C1	ZINC000982583121	680281640	/nfs/dbraw/zinc/28/16/40/680281640.db2.gz	HMXMHFGDVVWCKP-OGWHTMIXSA-N	1	1	362.905	2.447	20	30		FEEDMO
C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C[C@@]2(C)C1	ZINC000982583121	680281644	/nfs/dbraw/zinc/28/16/44/680281644.db2.gz	HMXMHFGDVVWCKP-OGWHTMIXSA-N	1	1	362.905	2.447	20	30		FEEDMO
Brc1cc2c(cc1C=NNC1=[NH+][C@H]3CCCC[C@@H]3N1)OCO2	ZINC000753936416	680325435	/nfs/dbraw/zinc/32/54/35/680325435.db2.gz	SIFCUQDLVLBAHU-RYUDHWBXSA-N	1	1	365.231	2.372	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2csnc2OC)C(C)(C)C1	ZINC000996329745	680328660	/nfs/dbraw/zinc/32/86/60/680328660.db2.gz	JETRMRBFCJDFCO-ILXRZTDVSA-N	1	1	365.499	2.069	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)s1	ZINC001027943137	680365693	/nfs/dbraw/zinc/36/56/93/680365693.db2.gz	NLWYIGYHIULPIN-DAXOMENPSA-N	1	1	355.467	2.227	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)s1	ZINC001027943137	680365699	/nfs/dbraw/zinc/36/56/99/680365699.db2.gz	NLWYIGYHIULPIN-DAXOMENPSA-N	1	1	355.467	2.227	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2cnns2)CC1	ZINC000997793439	680366462	/nfs/dbraw/zinc/36/64/62/680366462.db2.gz	IDALOOXXPLSVEP-JQFCIGGWSA-N	1	1	364.515	2.236	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC001028605290	680378111	/nfs/dbraw/zinc/37/81/11/680378111.db2.gz	QKTLIXHLZNDNOR-BZUAXINKSA-N	1	1	366.893	2.078	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC001028605290	680378116	/nfs/dbraw/zinc/37/81/16/680378116.db2.gz	QKTLIXHLZNDNOR-BZUAXINKSA-N	1	1	366.893	2.078	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@](C)(O)c2cccc(C(F)(F)F)c2)CC1	ZINC000754852115	680384465	/nfs/dbraw/zinc/38/44/65/680384465.db2.gz	SPRLZBRDXHQBLD-QGZVFWFLSA-N	1	1	354.372	2.080	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](CC)OC	ZINC001029508651	680390059	/nfs/dbraw/zinc/39/00/59/680390059.db2.gz	NKDAMKUGQRMDRY-PJVZLEMVSA-N	1	1	350.503	2.458	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)C[C@@H]2CCOC2)CC1	ZINC001030003019	680396198	/nfs/dbraw/zinc/39/61/98/680396198.db2.gz	VMZKVXNNDZIPOQ-FHWLQOOXSA-N	1	1	350.503	2.175	20	30		FEEDMO
C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1	ZINC000999413581	680402793	/nfs/dbraw/zinc/40/27/93/680402793.db2.gz	RXEBWEYMHWIXNR-YNEHKIRRSA-N	1	1	353.264	2.002	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCOCC2)C1	ZINC001033496411	680424466	/nfs/dbraw/zinc/42/44/66/680424466.db2.gz	KCZAQKVPKZOREH-QYZOEREBSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCc1ccc(Br)cc1	ZINC000836309274	680448380	/nfs/dbraw/zinc/44/83/80/680448380.db2.gz	KMFZTMZCITVDEW-UHFFFAOYSA-N	1	1	352.276	2.246	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3nc(C)cs3)C2)C1	ZINC001041696326	680508792	/nfs/dbraw/zinc/50/87/92/680508792.db2.gz	NYODGKGRTSGDEY-GJYPPUQNSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3nc(C)cs3)C2)C1	ZINC001041696326	680508796	/nfs/dbraw/zinc/50/87/96/680508796.db2.gz	NYODGKGRTSGDEY-GJYPPUQNSA-N	1	1	361.511	2.467	20	30		FEEDMO
Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](Nc2nc(C#N)c(Cl)s2)C1	ZINC001043404545	680579674	/nfs/dbraw/zinc/57/96/74/680579674.db2.gz	UYDIQJBMRBQGBB-BXKDBHETSA-N	1	1	364.862	2.132	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(F)c2C#N)[C@H]1c1ccccc1	ZINC000758442324	680580408	/nfs/dbraw/zinc/58/04/08/680580408.db2.gz	RKCSUHADGOEIJB-FUHWJXTLSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(F)c2C#N)[C@H]1c1ccccc1	ZINC000758442324	680580410	/nfs/dbraw/zinc/58/04/10/680580410.db2.gz	RKCSUHADGOEIJB-FUHWJXTLSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3ncc(C#N)cc3Cl)C2)C1	ZINC001043518063	680585622	/nfs/dbraw/zinc/58/56/22/680585622.db2.gz	QEEJRBYGIQNLOZ-XJKCOSOUSA-N	1	1	361.877	2.207	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1Nc1ncc(C#N)cc1Cl	ZINC001043518062	680585885	/nfs/dbraw/zinc/58/58/85/680585885.db2.gz	QEEJRBYGIQNLOZ-WOSRLPQWSA-N	1	1	361.877	2.207	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)C2	ZINC001045967203	680642453	/nfs/dbraw/zinc/64/24/53/680642453.db2.gz	PNPYGCXTKNSDNT-GJYPPUQNSA-N	1	1	367.921	2.168	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)CC2)C1	ZINC001046047199	680643053	/nfs/dbraw/zinc/64/30/53/680643053.db2.gz	MCMABXPNEZMFQO-BZSNNMDCSA-N	1	1	351.922	2.394	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)CC2)C1	ZINC001046047199	680643055	/nfs/dbraw/zinc/64/30/55/680643055.db2.gz	MCMABXPNEZMFQO-BZSNNMDCSA-N	1	1	351.922	2.394	20	30		FEEDMO
C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1	ZINC001047468254	680664269	/nfs/dbraw/zinc/66/42/69/680664269.db2.gz	YSIIESJZMRVNGX-MVJTYMMSSA-N	1	1	350.409	2.148	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC1CC(C)(C)C1	ZINC001050922897	681058169	/nfs/dbraw/zinc/05/81/69/681058169.db2.gz	BWFCGOKYXSIBBM-KURKYZTESA-N	1	1	350.503	2.221	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC1CC(C)(C)C1	ZINC001050922897	681058170	/nfs/dbraw/zinc/05/81/70/681058170.db2.gz	BWFCGOKYXSIBBM-KURKYZTESA-N	1	1	350.503	2.221	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(c3snc(Cl)c3C#N)[C@@H]2C)C1	ZINC001051014598	681059917	/nfs/dbraw/zinc/05/99/17/681059917.db2.gz	ABICNWOBGVMPAW-WZRBSPASSA-N	1	1	367.906	2.093	20	30		FEEDMO
CC(C)Oc1ccc(NC(=S)NCCC[NH+]2CCOCC2)cc1C#N	ZINC000771836202	681071808	/nfs/dbraw/zinc/07/18/08/681071808.db2.gz	ATLJNGQPNOUMNP-UHFFFAOYSA-N	1	1	362.499	2.354	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=C)Br)CC1	ZINC001052723841	681084557	/nfs/dbraw/zinc/08/45/57/681084557.db2.gz	VBKCJDAUGAEHLJ-KFWWJZLASA-N	1	1	357.292	2.457	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=C)Br)CC1	ZINC001052723841	681084561	/nfs/dbraw/zinc/08/45/61/681084561.db2.gz	VBKCJDAUGAEHLJ-KFWWJZLASA-N	1	1	357.292	2.457	20	30		FEEDMO
C[C@@H]1CC(N=Nc2ccccc2S(N)(=O)=O)C[N@H+]1Cc1ccccc1	ZINC000773120782	681126425	/nfs/dbraw/zinc/12/64/25/681126425.db2.gz	JOIZBNMCHQURDU-CQSZACIVSA-N	1	1	358.467	2.396	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001057771160	681164254	/nfs/dbraw/zinc/16/42/54/681164254.db2.gz	VVSIOFCDSJKQPW-GRYCIOLGSA-N	1	1	367.906	2.411	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3snc(C)c3C#N)C2)CC[N@H+]1C	ZINC001058257942	681169728	/nfs/dbraw/zinc/16/97/28/681169728.db2.gz	JLYHPTHPUDSXNV-IJEWVQPXSA-N	1	1	361.515	2.139	20	30		FEEDMO
C[N@H+](Cc1cnc(N2CCOCC2)s1)C[C@H](O)c1cccc(C#N)c1	ZINC000846006903	681172826	/nfs/dbraw/zinc/17/28/26/681172826.db2.gz	LFBCYVPLUIAKLB-KRWDZBQOSA-N	1	1	358.467	2.017	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000774519543	681198118	/nfs/dbraw/zinc/19/81/18/681198118.db2.gz	RVHRPOTXHNNCTH-IJEWVQPXSA-N	1	1	362.499	2.047	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1	ZINC000946852665	681265191	/nfs/dbraw/zinc/26/51/91/681265191.db2.gz	SKBJAVNRIMGVDN-IUODEOHRSA-N	1	1	355.910	2.213	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](CC#N)C(F)(F)F)cn1	ZINC000932928119	681330003	/nfs/dbraw/zinc/33/00/03/681330003.db2.gz	WYNGDFRJFVGTQK-GFCCVEGCSA-N	1	1	352.320	2.220	20	30		FEEDMO
C[C@]1([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCOc2ccccc21	ZINC000933370437	681400638	/nfs/dbraw/zinc/40/06/38/681400638.db2.gz	LOUXXTNRJQXSTC-SFHVURJKSA-N	1	1	357.435	2.014	20	30		FEEDMO
CC[N@@H+](CCC(=O)NC)CC(=O)Nc1ccccc1SC[C@H](C)C#N	ZINC000933863536	681475998	/nfs/dbraw/zinc/47/59/98/681475998.db2.gz	MDGFGGYWAAREIL-CQSZACIVSA-N	1	1	362.499	2.335	20	30		FEEDMO
CC[N@@H+](CCC(=O)NC)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000933869716	681476974	/nfs/dbraw/zinc/47/69/74/681476974.db2.gz	ZFZOAISSBKKEHU-UHFFFAOYSA-N	1	1	350.850	2.045	20	30		FEEDMO
CC[N@@H+](CCC(=O)NC)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000933869270	681476981	/nfs/dbraw/zinc/47/69/81/681476981.db2.gz	RUUPSTHZBJTDBW-UHFFFAOYSA-N	1	1	362.499	2.285	20	30		FEEDMO
COC(=O)[C@H]1C[N@H+]([C@H](C)CCC#N)CC12CN(C(=O)OC(C)(C)C)C2	ZINC000934053083	681501884	/nfs/dbraw/zinc/50/18/84/681501884.db2.gz	VGPBCYFWKJGQMD-ZIAGYGMSSA-N	1	1	351.447	2.021	20	30		FEEDMO
S=C(NCc1ccc2c(c1)OCO2)NN=C1CCC[N@@H+]2CCCC[C@H]12	ZINC000848400687	681535676	/nfs/dbraw/zinc/53/56/76/681535676.db2.gz	KTXKJJRFDZEWDJ-OAHLLOKOSA-N	1	1	360.483	2.384	20	30		FEEDMO
S=C(NCc1ccc2c(c1)OCO2)NN=C1CCC[N@H+]2CCCC[C@H]12	ZINC000848400687	681535683	/nfs/dbraw/zinc/53/56/83/681535683.db2.gz	KTXKJJRFDZEWDJ-OAHLLOKOSA-N	1	1	360.483	2.384	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000778147529	681578973	/nfs/dbraw/zinc/57/89/73/681578973.db2.gz	RATHSBMNPOJXKD-UHFFFAOYSA-N	1	1	364.877	2.065	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCOC2CCC2)CC1	ZINC000948785334	681597833	/nfs/dbraw/zinc/59/78/33/681597833.db2.gz	GZUCJIBFRQVXOX-UHOSZYNNSA-N	1	1	350.503	2.460	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000778633499	681632618	/nfs/dbraw/zinc/63/26/18/681632618.db2.gz	FENTXBRMQHYHRI-CVEARBPZSA-N	1	1	350.459	2.274	20	30		FEEDMO
C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1	ZINC000913782040	685485108	/nfs/dbraw/zinc/48/51/08/685485108.db2.gz	IRNTUYGWPKBPEN-HOTGVXAUSA-N	1	1	355.360	2.125	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CNC(=O)O2)CC1	ZINC000782000597	681996505	/nfs/dbraw/zinc/99/65/05/681996505.db2.gz	UQHADPGSWGYTHV-NSHDSACASA-N	1	1	362.817	2.113	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1	ZINC000940297599	682047352	/nfs/dbraw/zinc/04/73/52/682047352.db2.gz	KGXLWNUIVZSIET-GZBFAFLISA-N	1	1	355.910	2.070	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C(C)(C)C1	ZINC000940912659	682087171	/nfs/dbraw/zinc/08/71/71/682087171.db2.gz	RCWVIWXCZPTIBE-YHUYYLMFSA-N	1	1	356.894	2.007	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C(C)(C)C1	ZINC000940912659	682087176	/nfs/dbraw/zinc/08/71/76/682087176.db2.gz	RCWVIWXCZPTIBE-YHUYYLMFSA-N	1	1	356.894	2.007	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3c(C)nsc3C)C[C@H]21	ZINC000962018439	682106895	/nfs/dbraw/zinc/10/68/95/682106895.db2.gz	PYGBYZWAWMLRJQ-MWTISTBLSA-N	1	1	361.511	2.288	20	30		FEEDMO
Cc1cc(CN=Nc2ccc(Cl)nn2)c(C)n1CC[NH+]1CCOCC1	ZINC000915940133	685519766	/nfs/dbraw/zinc/51/97/66/685519766.db2.gz	XFRDVWIFKJPCPB-UHFFFAOYSA-N	1	1	362.865	2.327	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC000969691827	682272743	/nfs/dbraw/zinc/27/27/43/682272743.db2.gz	XXRDUHDLMUDGBU-JEBQAFNWSA-N	1	1	360.527	2.287	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2csc(Cl)n2)C1	ZINC000970241704	682290655	/nfs/dbraw/zinc/29/06/55/682290655.db2.gz	MGMFPIQCLYVQSR-XBFCOCLRSA-N	1	1	355.891	2.468	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C	ZINC000786457361	682375834	/nfs/dbraw/zinc/37/58/34/682375834.db2.gz	OHUNPFWBAHDWTN-XHSDSOJGSA-N	1	1	350.459	2.273	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC000971973589	682384294	/nfs/dbraw/zinc/38/42/94/682384294.db2.gz	CAUQKUHXNDDHIO-XTENKEOPSA-N	1	1	357.479	2.076	20	30		FEEDMO
C=CCn1nnn(CN2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)c1=S	ZINC000853559766	682433949	/nfs/dbraw/zinc/43/39/49/682433949.db2.gz	IPQRPLBLHKIKEM-KRWDZBQOSA-N	1	1	358.515	2.201	20	30		FEEDMO
C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2CC#N)C1	ZINC000794588032	682982024	/nfs/dbraw/zinc/98/20/24/682982024.db2.gz	URHWDEYVGIMVQB-QGZVFWFLSA-N	1	1	355.463	2.434	20	30		FEEDMO
C#CCCN1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1	ZINC000859004003	683024804	/nfs/dbraw/zinc/02/48/04/683024804.db2.gz	ZQBZECLOZCYDCP-LJQANCHMSA-N	1	1	359.901	2.472	20	30		FEEDMO
C#CCCN1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1	ZINC000859004003	683024807	/nfs/dbraw/zinc/02/48/07/683024807.db2.gz	ZQBZECLOZCYDCP-LJQANCHMSA-N	1	1	359.901	2.472	20	30		FEEDMO
CC[N@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C	ZINC000859529044	683124004	/nfs/dbraw/zinc/12/40/04/683124004.db2.gz	HYHGZBGCOOJHQR-KBXCAEBGSA-N	1	1	354.495	2.276	20	30		FEEDMO
CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C	ZINC000859529044	683124008	/nfs/dbraw/zinc/12/40/08/683124008.db2.gz	HYHGZBGCOOJHQR-KBXCAEBGSA-N	1	1	354.495	2.276	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21	ZINC000860529682	683256653	/nfs/dbraw/zinc/25/66/53/683256653.db2.gz	KEFKOAPDDUMOQY-OLZOCXBDSA-N	1	1	355.360	2.420	20	30		FEEDMO
N#Cc1c(NC[C@@H]2CCC[N@H+]2C2CCCCC2)cccc1S(N)(=O)=O	ZINC000797840047	683279794	/nfs/dbraw/zinc/27/97/94/683279794.db2.gz	FIMZISMFJYUNOX-HNNXBMFYSA-N	1	1	362.499	2.415	20	30		FEEDMO
C[NH+]1CCN([C@@H](C/N=C/c2ccc(O)c(O)c2O)c2cccs2)CC1	ZINC000920943709	683382225	/nfs/dbraw/zinc/38/22/25/683382225.db2.gz	FANCACJDWKPRGW-YRIIZNAFSA-N	1	1	361.467	2.273	20	30		FEEDMO
CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1	ZINC000861354451	683396186	/nfs/dbraw/zinc/39/61/86/683396186.db2.gz	VRDNVYBCULYDKB-DOMZBBRYSA-N	1	1	357.332	2.238	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc(Br)c2)C1=O	ZINC000799175993	683433415	/nfs/dbraw/zinc/43/34/15/683433415.db2.gz	AAJRYHLLQNRVDD-LSDHHAIUSA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc(Br)c2)C1=O	ZINC000799175993	683433416	/nfs/dbraw/zinc/43/34/16/683433416.db2.gz	AAJRYHLLQNRVDD-LSDHHAIUSA-N	1	1	353.260	2.201	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)o1	ZINC000862537548	683598781	/nfs/dbraw/zinc/59/87/81/683598781.db2.gz	CLHCQJCRVCLVME-HPEDKQMDSA-N	1	1	353.344	2.382	20	30		FEEDMO
CCN(CC)S(=O)(=O)c1ccc(N=NC2CC[N@@H+](C)C(C)(C)C2)nc1	ZINC000863071743	683675640	/nfs/dbraw/zinc/67/56/40/683675640.db2.gz	YDVVZWZBZZXOHN-UHFFFAOYSA-N	1	1	367.519	2.384	20	30		FEEDMO
C#CCC1(O)CCN(C(=O)C2CC[NH+](Cc3csc(C)n3)CC2)CC1	ZINC000922194081	683676374	/nfs/dbraw/zinc/67/63/74/683676374.db2.gz	MOXKXJQMULRPOR-UHFFFAOYSA-N	1	1	361.511	2.040	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCCC2=NN[C@H]2CCCS(=O)(=O)C2)C1	ZINC000863133235	683680006	/nfs/dbraw/zinc/68/00/06/683680006.db2.gz	ICEDSCMKORCLDE-DFGXFYAUSA-N	1	1	355.548	2.430	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCCCC2=NN[C@H]2CCCS(=O)(=O)C2)C1	ZINC000863133235	683680008	/nfs/dbraw/zinc/68/00/08/683680008.db2.gz	ICEDSCMKORCLDE-DFGXFYAUSA-N	1	1	355.548	2.430	20	30		FEEDMO
N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12	ZINC000930385491	683722949	/nfs/dbraw/zinc/72/29/49/683722949.db2.gz	CJKGSTMNKGUIPI-HIFRSBDPSA-N	1	1	364.446	2.429	20	30		FEEDMO
C#CC[C@H](COC)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000863804860	683775104	/nfs/dbraw/zinc/77/51/04/683775104.db2.gz	KJJVTIMSIXJXBU-IAGOWNOFSA-N	1	1	350.409	2.298	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1	ZINC000931145487	683841177	/nfs/dbraw/zinc/84/11/77/683841177.db2.gz	ASQTZRRJVPRSGU-LBPRGKRZSA-N	1	1	351.244	2.236	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2nc(Br)sc2Cl)CC1	ZINC000865198537	683949511	/nfs/dbraw/zinc/94/95/11/683949511.db2.gz	KQXNWSFFCAZGDK-UHFFFAOYSA-N	1	1	363.668	2.277	20	30		FEEDMO
C=C(Cl)C[C@@H]1NC(=O)N([C@H]2CC[N@H+](CCCOCC)C[C@H]2C)C1=O	ZINC000865304425	683965110	/nfs/dbraw/zinc/96/51/10/683965110.db2.gz	VBKZHLNBWMMJGK-SNPRPXQTSA-N	1	1	357.882	2.186	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)C1	ZINC000865542459	683995420	/nfs/dbraw/zinc/99/54/20/683995420.db2.gz	QDGWTFZLFHEUMX-OAHLLOKOSA-N	1	1	353.392	2.188	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(F)ccc(Br)c2OC)C1	ZINC000923552867	684304798	/nfs/dbraw/zinc/30/47/98/684304798.db2.gz	DXBDOLGGECJCAS-LLVKDONJSA-N	1	1	369.234	2.424	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(F)ccc(Br)c2OC)C1	ZINC000923552867	684304802	/nfs/dbraw/zinc/30/48/02/684304802.db2.gz	DXBDOLGGECJCAS-LLVKDONJSA-N	1	1	369.234	2.424	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2[nH]nc(C(C)C)c2Br)C1	ZINC000923579240	684307858	/nfs/dbraw/zinc/30/78/58/684307858.db2.gz	OUYDCNAHNDHUBT-NSHDSACASA-N	1	1	353.264	2.123	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc(C(C)C)c2Br)C1	ZINC000923579240	684307860	/nfs/dbraw/zinc/30/78/60/684307860.db2.gz	OUYDCNAHNDHUBT-NSHDSACASA-N	1	1	353.264	2.123	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)CSCc2cn3cc(C)ccc3n2)C1	ZINC000923590121	684309915	/nfs/dbraw/zinc/30/99/15/684309915.db2.gz	QROJCADCJDCLBB-MRXNPFEDSA-N	1	1	356.495	2.090	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)CSCc2cn3cc(C)ccc3n2)C1	ZINC000923590121	684309919	/nfs/dbraw/zinc/30/99/19/684309919.db2.gz	QROJCADCJDCLBB-MRXNPFEDSA-N	1	1	356.495	2.090	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(OC)ccc2Br)C1	ZINC000923592914	684310279	/nfs/dbraw/zinc/31/02/79/684310279.db2.gz	DPYGPWVQMRENRR-LBPRGKRZSA-N	1	1	351.244	2.285	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(OC)ccc2Br)C1	ZINC000923592914	684310280	/nfs/dbraw/zinc/31/02/80/684310280.db2.gz	DPYGPWVQMRENRR-LBPRGKRZSA-N	1	1	351.244	2.285	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Cn2c(CSC)nc3ccccc32)C1	ZINC000923591396	684310298	/nfs/dbraw/zinc/31/02/98/684310298.db2.gz	ZEYFYDQLQWOPIL-HNNXBMFYSA-N	1	1	356.495	2.113	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2c(CSC)nc3ccccc32)C1	ZINC000923591396	684310302	/nfs/dbraw/zinc/31/03/02/684310302.db2.gz	ZEYFYDQLQWOPIL-HNNXBMFYSA-N	1	1	356.495	2.113	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)C1	ZINC000923591915	684310402	/nfs/dbraw/zinc/31/04/02/684310402.db2.gz	HFODRIPYFSITGG-QZTJIDSGSA-N	1	1	361.873	2.121	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)C1	ZINC000923591915	684310404	/nfs/dbraw/zinc/31/04/04/684310404.db2.gz	HFODRIPYFSITGG-QZTJIDSGSA-N	1	1	361.873	2.121	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Cc2sc(CC(F)(F)F)nc2C)C1	ZINC000923595124	684310778	/nfs/dbraw/zinc/31/07/78/684310778.db2.gz	GUYGMHZFLKOBLV-LBPRGKRZSA-N	1	1	359.417	2.313	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2sc(CC(F)(F)F)nc2C)C1	ZINC000923595124	684310784	/nfs/dbraw/zinc/31/07/84/684310784.db2.gz	GUYGMHZFLKOBLV-LBPRGKRZSA-N	1	1	359.417	2.313	20	30		FEEDMO
N#C[C@@]1(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CCCOC1	ZINC000867797679	684389641	/nfs/dbraw/zinc/38/96/41/684389641.db2.gz	BJWPHKQAXGCOKZ-HKUYNNGSSA-N	1	1	359.495	2.041	20	30		FEEDMO
N#C[C@@]1(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CCCOC1	ZINC000867797679	684389644	/nfs/dbraw/zinc/38/96/44/684389644.db2.gz	BJWPHKQAXGCOKZ-HKUYNNGSSA-N	1	1	359.495	2.041	20	30		FEEDMO
Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc(Cl)c(C#N)s2)cn1	ZINC000875681761	686063463	/nfs/dbraw/zinc/06/34/63/686063463.db2.gz	KDELKDYWJUYJQI-GHMZBOCLSA-N	1	1	364.862	2.076	20	30		FEEDMO
COC(=O)C[C@@H]1CSCC[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1	ZINC000878194512	686539356	/nfs/dbraw/zinc/53/93/56/686539356.db2.gz	XTKMPDOCFFWFKS-MJGOQNOKSA-N	1	1	360.479	2.408	20	30		FEEDMO
COC(=O)C[C@@H]1CSCC[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1	ZINC000878194512	686539358	/nfs/dbraw/zinc/53/93/58/686539358.db2.gz	XTKMPDOCFFWFKS-MJGOQNOKSA-N	1	1	360.479	2.408	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CC[C@@H](C(F)(F)F)O1	ZINC000880065219	686992107	/nfs/dbraw/zinc/99/21/07/686992107.db2.gz	RZLGYXDDEPJABV-MCIONIFRSA-N	1	1	350.381	2.099	20	30		FEEDMO
C[C@H]1CN(C(=O)Nc2cc(C#N)c(F)cc2F)CC[N@H+]1CC(C)(C)O	ZINC000880713372	687077835	/nfs/dbraw/zinc/07/78/35/687077835.db2.gz	MRQLAXRHYTWRIN-NSHDSACASA-N	1	1	352.385	2.145	20	30		FEEDMO
C#CCSCCNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1	ZINC000881136931	687112463	/nfs/dbraw/zinc/11/24/63/687112463.db2.gz	KGSBVHUIXNVESE-SFHVURJKSA-N	1	1	358.511	2.459	20	30		FEEDMO
C=CCCc1ccc(S(=O)(=O)NCCCC[NH+]2CCN(C)CC2)cc1	ZINC000881786621	687215701	/nfs/dbraw/zinc/21/57/01/687215701.db2.gz	YMTNZTMQDPKVBM-UHFFFAOYSA-N	1	1	365.543	2.111	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)C[C@@H]1C	ZINC000883098917	687564053	/nfs/dbraw/zinc/56/40/53/687564053.db2.gz	CWCKBDCODUYTTP-JTQLQIEISA-N	1	1	352.236	2.274	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)[C@@H](N)c2ccc(Br)cc2)CC1	ZINC000884214311	687820564	/nfs/dbraw/zinc/82/05/64/687820564.db2.gz	YVQBSFXFBACBLK-HNNXBMFYSA-N	1	1	352.276	2.216	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000884951993	687972397	/nfs/dbraw/zinc/97/23/97/687972397.db2.gz	KFDIFKUZMBDWAH-KBPBESRZSA-N	1	1	373.400	2.482	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000886412530	688249134	/nfs/dbraw/zinc/24/91/34/688249134.db2.gz	JYTRWVSSMVNNAL-HNNXBMFYSA-N	1	1	352.479	2.080	20	30		FEEDMO
C#CC[N@H+](C[C@@H](O)CCOCC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426185	688253050	/nfs/dbraw/zinc/25/30/50/688253050.db2.gz	MDVIRVKVHZHVET-KRWDZBQOSA-N	1	1	354.491	2.109	20	30		FEEDMO
CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCc2ccns2)CC1=O	ZINC000887272627	688397256	/nfs/dbraw/zinc/39/72/56/688397256.db2.gz	RMMZDFJGHZUKOJ-UHFFFAOYSA-N	1	1	353.451	2.345	20	30		FEEDMO
CCN1CC[NH+](CC(C)(C)NC(=O)Nc2nc(Cl)c(C#N)s2)CC1	ZINC000888422552	688609918	/nfs/dbraw/zinc/60/99/18/688609918.db2.gz	OTBWTNYYUOVRDH-UHFFFAOYSA-N	1	1	370.910	2.206	20	30		FEEDMO
C[C@@]1(C#N)CN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCO1	ZINC000892512369	689206787	/nfs/dbraw/zinc/20/67/87/689206787.db2.gz	RFUVKWQVDPWTNM-MAUKXSAKSA-N	1	1	362.499	2.284	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@](C)(C#N)C2)[C@@H]1c1cccs1	ZINC000893201065	689312784	/nfs/dbraw/zinc/31/27/84/689312784.db2.gz	VOQHNPXLTITIGW-QGPMSJSTSA-N	1	1	362.499	2.455	20	30		FEEDMO
C[N@@H+]1CC[C@H](NC(=O)N2CCO[C@](C)(C#N)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000893896128	689424763	/nfs/dbraw/zinc/42/47/63/689424763.db2.gz	PTMBEKPOEJDBEH-XYJFISCASA-N	1	1	362.861	2.409	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N2CCO[C@](C)(C#N)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000893896128	689424768	/nfs/dbraw/zinc/42/47/68/689424768.db2.gz	PTMBEKPOEJDBEH-XYJFISCASA-N	1	1	362.861	2.409	20	30		FEEDMO
CO[C@]1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCSC1	ZINC000895526467	689730392	/nfs/dbraw/zinc/73/03/92/689730392.db2.gz	MLHHUIOEROINSJ-LJQANCHMSA-N	1	1	359.495	2.115	20	30		FEEDMO
CO[C@]1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCSC1	ZINC000895526467	689730393	/nfs/dbraw/zinc/73/03/93/689730393.db2.gz	MLHHUIOEROINSJ-LJQANCHMSA-N	1	1	359.495	2.115	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C	ZINC000896540834	689888907	/nfs/dbraw/zinc/88/89/07/689888907.db2.gz	YUNJPHPNQNWHHI-CZUORRHYSA-N	1	1	356.495	2.446	20	30		FEEDMO
C#CCSCC(=O)N1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1	ZINC000899024605	690288871	/nfs/dbraw/zinc/28/88/71/690288871.db2.gz	BLJQUSCJIHERKU-SFHVURJKSA-N	1	1	361.511	2.268	20	30		FEEDMO
N#Cc1ccc(NC(=S)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Cl	ZINC000899663760	690401461	/nfs/dbraw/zinc/40/14/61/690401461.db2.gz	GCOSOXJMTVHSSY-CVEARBPZSA-N	1	1	364.902	2.439	20	30		FEEDMO
C=CCNc1ncc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1	ZINC000900979934	690595974	/nfs/dbraw/zinc/59/59/74/690595974.db2.gz	FWPXJRAIRPEHOM-OKILXGFUSA-N	1	1	352.504	2.360	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1C(F)(F)F	ZINC000903211038	690867256	/nfs/dbraw/zinc/86/72/56/690867256.db2.gz	ALYNWDLVOMALGG-GFCCVEGCSA-N	1	1	359.373	2.046	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2cnn(CC3CCC3)c2)c1	ZINC000905639380	691155283	/nfs/dbraw/zinc/15/52/83/691155283.db2.gz	CZDDYMPITYDVQG-UHFFFAOYSA-N	1	1	358.467	2.118	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1ccns1	ZINC000908694800	691714566	/nfs/dbraw/zinc/71/45/66/691714566.db2.gz	FCDYMSMBCYKDGY-HIFRSBDPSA-N	1	1	360.487	2.093	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(OC)c(C#N)cn1)C2	ZINC001164808539	720069976	/nfs/dbraw/zinc/06/99/76/720069976.db2.gz	HYSYXBTXLBMQCX-XLIONFOSSA-N	1	1	356.470	2.147	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc3c(C#N)c[nH]c3n1)C2	ZINC001164817390	720148908	/nfs/dbraw/zinc/14/89/08/720148908.db2.gz	PEENNPUCOXIHLD-UZLBHIALSA-N	1	1	366.469	2.014	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc3c(C#N)c[nH]c3n1)C2	ZINC001164817388	720149511	/nfs/dbraw/zinc/14/95/11/720149511.db2.gz	PEENNPUCOXIHLD-OXQOHEQNSA-N	1	1	366.469	2.014	20	30		FEEDMO
Cc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)cc1C#N	ZINC001164743549	720803436	/nfs/dbraw/zinc/80/34/36/720803436.db2.gz	GUAWFLZFJPTIGE-HUUCEWRRSA-N	1	1	370.844	2.047	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(C)c3C#N)CC[C@@H]2C1	ZINC001164853262	720835483	/nfs/dbraw/zinc/83/54/83/720835483.db2.gz	NRBICQFHCSVNLF-GDBMZVCRSA-N	1	1	364.877	2.089	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5ccc(C#N)cc54)C[C@H]3C2)cn1	ZINC001164761051	721091302	/nfs/dbraw/zinc/09/13/02/721091302.db2.gz	ALNHMURJKAABKW-QZTJIDSGSA-N	1	1	373.464	2.193	20	30		FEEDMO
Cc1nc(Cl)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C#N	ZINC001164771360	721137541	/nfs/dbraw/zinc/13/75/41/721137541.db2.gz	SGXOSKOJZPOGRO-HUUCEWRRSA-N	1	1	371.876	2.002	20	30		FEEDMO
Cc1ccnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C#N	ZINC001164884475	721387844	/nfs/dbraw/zinc/38/78/44/721387844.db2.gz	BEQTWEOWAPSUSM-NQIIRXRSSA-N	1	1	369.513	2.027	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1c(C#N)cnc2cnc(Cl)cc21	ZINC001164930453	721852643	/nfs/dbraw/zinc/85/26/43/721852643.db2.gz	SATHLYRYTXCEAJ-IAGOWNOFSA-N	1	1	370.888	2.369	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1c(C#N)cnc2cnc(Cl)cc21	ZINC001164930453	721852644	/nfs/dbraw/zinc/85/26/44/721852644.db2.gz	SATHLYRYTXCEAJ-IAGOWNOFSA-N	1	1	370.888	2.369	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)c(Cl)cc1C#N	ZINC001164928661	721863569	/nfs/dbraw/zinc/86/35/69/721863569.db2.gz	ZTSNAGLAAKFIDZ-KBPBESRZSA-N	1	1	354.285	2.475	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)c(Cl)cc1C#N	ZINC001164928661	721863571	/nfs/dbraw/zinc/86/35/71/721863571.db2.gz	ZTSNAGLAAKFIDZ-KBPBESRZSA-N	1	1	354.285	2.475	20	30		FEEDMO
COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000026328310	539783505	/nfs/dbraw/zinc/78/35/05/539783505.db2.gz	GNKXRKDINKCAFE-GOSISDBHSA-N	1	1	354.406	2.217	20	30		FEEDMO
CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1	ZINC000026330332	539783839	/nfs/dbraw/zinc/78/38/39/539783839.db2.gz	NXIGLWVWJGPKEB-CQSZACIVSA-N	1	1	350.422	2.377	20	30		FEEDMO
CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1	ZINC000026330332	539783843	/nfs/dbraw/zinc/78/38/43/539783843.db2.gz	NXIGLWVWJGPKEB-CQSZACIVSA-N	1	1	350.422	2.377	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1	ZINC000027571427	539810547	/nfs/dbraw/zinc/81/05/47/539810547.db2.gz	LDJLWXRVXVAMFS-UZLBHIALSA-N	1	1	356.470	2.392	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1	ZINC000027571427	539810551	/nfs/dbraw/zinc/81/05/51/539810551.db2.gz	LDJLWXRVXVAMFS-UZLBHIALSA-N	1	1	356.470	2.392	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1	ZINC000031557828	539910395	/nfs/dbraw/zinc/91/03/95/539910395.db2.gz	XWUUXFWRHKMSDW-OAHLLOKOSA-N	1	1	372.450	2.322	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1	ZINC000031557828	539910396	/nfs/dbraw/zinc/91/03/96/539910396.db2.gz	XWUUXFWRHKMSDW-OAHLLOKOSA-N	1	1	372.450	2.322	20	30		FEEDMO
Cc1nc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1C#N	ZINC000032299263	539934428	/nfs/dbraw/zinc/93/44/28/539934428.db2.gz	ZNCFUNKYKOBZQB-UHFFFAOYSA-N	1	1	359.433	2.481	20	30		FEEDMO
Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1C#N	ZINC000032299263	539934431	/nfs/dbraw/zinc/93/44/31/539934431.db2.gz	ZNCFUNKYKOBZQB-UHFFFAOYSA-N	1	1	359.433	2.481	20	30		FEEDMO
Cc1nn(C)c(C)c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000042004588	540045467	/nfs/dbraw/zinc/04/54/67/540045467.db2.gz	SMVYPCXIEZTHJG-UHFFFAOYSA-N	1	1	351.454	2.257	20	30		FEEDMO
Cc1nn(C)c(C)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000042004588	540045469	/nfs/dbraw/zinc/04/54/69/540045469.db2.gz	SMVYPCXIEZTHJG-UHFFFAOYSA-N	1	1	351.454	2.257	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1sccc1C#N)[N@@H+](C)Cc1ccccc1	ZINC000550380107	674092199	/nfs/dbraw/zinc/09/21/99/674092199.db2.gz	AJBQKGGBDWQRNL-ZDUSSCGKSA-N	1	1	356.451	2.195	20	30		FEEDMO
C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)COc1ccc(C#N)cc1	ZINC000046343129	540252748	/nfs/dbraw/zinc/25/27/48/540252748.db2.gz	IVWSWGMBKKQTQK-KRWDZBQOSA-N	1	1	354.406	2.201	20	30		FEEDMO
C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+](C)Cc1cccc(C#N)c1	ZINC000046518718	540261190	/nfs/dbraw/zinc/26/11/90/540261190.db2.gz	JWVBKIVETICLLI-CRAIPNDOSA-N	1	1	365.433	2.335	20	30		FEEDMO
C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000046518718	540261192	/nfs/dbraw/zinc/26/11/92/540261192.db2.gz	JWVBKIVETICLLI-CRAIPNDOSA-N	1	1	365.433	2.335	20	30		FEEDMO
COc1ccc(CNC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1OC	ZINC000046519222	540261373	/nfs/dbraw/zinc/26/13/73/540261373.db2.gz	SEFCBMHDSDPMQV-UHFFFAOYSA-N	1	1	353.422	2.324	20	30		FEEDMO
COc1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC	ZINC000046519222	540261376	/nfs/dbraw/zinc/26/13/76/540261376.db2.gz	SEFCBMHDSDPMQV-UHFFFAOYSA-N	1	1	353.422	2.324	20	30		FEEDMO
CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000051043045	540419970	/nfs/dbraw/zinc/41/99/70/540419970.db2.gz	JAAKQHCLAMIWNG-CQSZACIVSA-N	1	1	362.861	2.388	20	30		FEEDMO
CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000051043045	540419973	/nfs/dbraw/zinc/41/99/73/540419973.db2.gz	JAAKQHCLAMIWNG-CQSZACIVSA-N	1	1	362.861	2.388	20	30		FEEDMO
CCCCCNC(=O)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000051801246	540445094	/nfs/dbraw/zinc/44/50/94/540445094.db2.gz	ZUILYVVADOYTKW-IBGZPJMESA-N	1	1	350.507	2.059	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)c2sccc2C#N)c2cccs2)CC1	ZINC000052147364	540455630	/nfs/dbraw/zinc/45/56/30/540455630.db2.gz	OVIQTXFHWJEJTK-AWEZNQCLSA-N	1	1	360.508	2.400	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(NC(=O)c2ccccc2F)CC1	ZINC000052725791	540486352	/nfs/dbraw/zinc/48/63/52/540486352.db2.gz	DEKBVQLYNVHTKT-UHFFFAOYSA-N	1	1	361.461	2.445	20	30		FEEDMO
CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1	ZINC000053403221	540532212	/nfs/dbraw/zinc/53/22/12/540532212.db2.gz	LKJZTZQOSHSQIQ-HKUYNNGSSA-N	1	1	368.433	2.460	20	30		FEEDMO
C=CCN(CC=C)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000055171716	540633033	/nfs/dbraw/zinc/63/30/33/540633033.db2.gz	XDOXLWACLHRRFN-UHFFFAOYSA-N	1	1	352.482	2.267	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000055171716	540633036	/nfs/dbraw/zinc/63/30/36/540633036.db2.gz	XDOXLWACLHRRFN-UHFFFAOYSA-N	1	1	352.482	2.267	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000055171716	540633039	/nfs/dbraw/zinc/63/30/39/540633039.db2.gz	XDOXLWACLHRRFN-UHFFFAOYSA-N	1	1	352.482	2.267	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2OC)CC1	ZINC000064443676	541205975	/nfs/dbraw/zinc/20/59/75/541205975.db2.gz	IAGNSIUJANEVBH-UHFFFAOYSA-N	1	1	372.465	2.224	20	30		FEEDMO
N#Cc1cccnc1N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000065223284	541229736	/nfs/dbraw/zinc/22/97/36/541229736.db2.gz	KASIKVRYQIQYGD-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
CCCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000066559150	541335183	/nfs/dbraw/zinc/33/51/83/541335183.db2.gz	CWYLNXLNHYWEQT-KRWDZBQOSA-N	1	1	363.483	2.176	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C(=O)OC)C2)cc1	ZINC000066833801	541377336	/nfs/dbraw/zinc/37/73/36/541377336.db2.gz	ZMEVGJAUVKGRTQ-INIZCTEOSA-N	1	1	373.453	2.217	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](C(=O)OC)C2)cc1	ZINC000066833801	541377340	/nfs/dbraw/zinc/37/73/40/541377340.db2.gz	ZMEVGJAUVKGRTQ-INIZCTEOSA-N	1	1	373.453	2.217	20	30		FEEDMO
N#CCN1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1	ZINC000067480594	541470159	/nfs/dbraw/zinc/47/01/59/541470159.db2.gz	AGWFXENUZMWAGN-LJQANCHMSA-N	1	1	361.534	2.318	20	30		FEEDMO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[N@H+](C(C)C)CC1	ZINC000068781611	541627627	/nfs/dbraw/zinc/62/76/27/541627627.db2.gz	FFAHZFPSPUBKGZ-UHFFFAOYSA-N	1	1	368.485	2.093	20	30		FEEDMO
CC(C)[N@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1ccc(C#N)cc1	ZINC000069071126	541653771	/nfs/dbraw/zinc/65/37/71/541653771.db2.gz	ORMZXKGPTSQIHT-KRWDZBQOSA-N	1	1	370.497	2.286	20	30		FEEDMO
CC(C)[N@@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)Cc1ccc(C#N)cc1	ZINC000069071126	541653774	/nfs/dbraw/zinc/65/37/74/541653774.db2.gz	ORMZXKGPTSQIHT-KRWDZBQOSA-N	1	1	370.497	2.286	20	30		FEEDMO
CCN(CC)C(=O)C1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000069682283	541703200	/nfs/dbraw/zinc/70/32/00/541703200.db2.gz	XCFKTUBMXKDARI-DNVCBOLYSA-N	1	1	350.507	2.010	20	30		FEEDMO
CC(C)(C)c1csc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)c1C#N	ZINC000550843274	674114379	/nfs/dbraw/zinc/11/43/79/674114379.db2.gz	KWPMHYQYBDHNSM-UHFFFAOYSA-N	1	1	360.483	2.234	20	30		FEEDMO
CC(C)(C)c1csc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)c1C#N	ZINC000550843274	674114381	/nfs/dbraw/zinc/11/43/81/674114381.db2.gz	KWPMHYQYBDHNSM-UHFFFAOYSA-N	1	1	360.483	2.234	20	30		FEEDMO
N#CCCn1cc(C(=O)C[NH+]2CCC3(CNC(=O)C3)CC2)c2ccccc21	ZINC000072696992	541853605	/nfs/dbraw/zinc/85/36/05/541853605.db2.gz	ZGYRSCAUBQUSML-UHFFFAOYSA-N	1	1	364.449	2.340	20	30		FEEDMO
Cc1nsc(N2CCC[N@@H+](CCC(=O)Nc3ccccc3C#N)CC2)n1	ZINC000072801010	541868228	/nfs/dbraw/zinc/86/82/28/541868228.db2.gz	XHQGGTMHGOCDHE-UHFFFAOYSA-N	1	1	370.482	2.259	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)c1	ZINC000072829878	541874878	/nfs/dbraw/zinc/87/48/78/541874878.db2.gz	YASBBGAAKZBBJJ-NRFANRHFSA-N	1	1	368.481	2.152	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)c1	ZINC000072829878	541874882	/nfs/dbraw/zinc/87/48/82/541874882.db2.gz	YASBBGAAKZBBJJ-NRFANRHFSA-N	1	1	368.481	2.152	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000072971430	541900656	/nfs/dbraw/zinc/90/06/56/541900656.db2.gz	FDPFDFWORCWFHR-QUCCMNQESA-N	1	1	370.497	2.118	20	30		FEEDMO
CCOC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000072976156	541901653	/nfs/dbraw/zinc/90/16/53/541901653.db2.gz	OEWFVPHUSYJEPE-INIZCTEOSA-N	1	1	367.453	2.431	20	30		FEEDMO
CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000072976156	541901657	/nfs/dbraw/zinc/90/16/57/541901657.db2.gz	OEWFVPHUSYJEPE-INIZCTEOSA-N	1	1	367.453	2.431	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000073615839	541973738	/nfs/dbraw/zinc/97/37/38/541973738.db2.gz	KCNMTOIAGBFAIT-MAUKXSAKSA-N	1	1	357.454	2.180	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000073615839	541973740	/nfs/dbraw/zinc/97/37/40/541973740.db2.gz	KCNMTOIAGBFAIT-MAUKXSAKSA-N	1	1	357.454	2.180	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(C(=O)N(C)C)CC1	ZINC000073769592	541997173	/nfs/dbraw/zinc/99/71/73/541997173.db2.gz	XQUHTVILWBHBER-HNNXBMFYSA-N	1	1	374.460	2.261	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@H](O)COCc1ccccc1	ZINC000074289145	542064616	/nfs/dbraw/zinc/06/46/16/542064616.db2.gz	RINMDEZIMQTISJ-APWZRJJASA-N	1	1	367.449	2.395	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H](O)COCc1ccccc1	ZINC000074289145	542064618	/nfs/dbraw/zinc/06/46/18/542064618.db2.gz	RINMDEZIMQTISJ-APWZRJJASA-N	1	1	367.449	2.395	20	30		FEEDMO
N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)cc1	ZINC000074315949	542068797	/nfs/dbraw/zinc/06/87/97/542068797.db2.gz	CYVBELMNEYQTNM-GOSISDBHSA-N	1	1	355.463	2.478	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+](CCO)[C@H]1CCCc2ccccc21	ZINC000074312280	542067211	/nfs/dbraw/zinc/06/72/11/542067211.db2.gz	WFSLWOVFTOWZDM-IBGZPJMESA-N	1	1	354.454	2.014	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000074490366	542090186	/nfs/dbraw/zinc/09/01/86/542090186.db2.gz	GMBPLWIOMVGCKD-HNNXBMFYSA-N	1	1	359.449	2.013	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCCN(c2cccc(Cl)c2C)CC1	ZINC000551444340	674145330	/nfs/dbraw/zinc/14/53/30/674145330.db2.gz	RQFAUWPOIBKKIZ-UHFFFAOYSA-N	1	1	364.877	2.172	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCCN(c2cccc(Cl)c2C)CC1	ZINC000551444340	674145333	/nfs/dbraw/zinc/14/53/33/674145333.db2.gz	RQFAUWPOIBKKIZ-UHFFFAOYSA-N	1	1	364.877	2.172	20	30		FEEDMO
N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1	ZINC000076983888	542338883	/nfs/dbraw/zinc/33/88/83/542338883.db2.gz	JFYCQMDGJBPEMV-GOSISDBHSA-N	1	1	367.497	2.407	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000077371592	542373626	/nfs/dbraw/zinc/37/36/26/542373626.db2.gz	VQFCQJZFAIRIIL-LJQANCHMSA-N	1	1	367.497	2.239	20	30		FEEDMO
COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCO[C@@H](C)C#N)CC1	ZINC000801928634	674155712	/nfs/dbraw/zinc/15/57/12/674155712.db2.gz	GQXBDWARPKDJRP-WMLDXEAASA-N	1	1	365.861	2.100	20	30		FEEDMO
COCCC[N@H+]1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000079447819	542519680	/nfs/dbraw/zinc/51/96/80/542519680.db2.gz	NSZPRQCVLUKTAG-UHFFFAOYSA-N	1	1	355.442	2.152	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)Nc2nccs2)C1	ZINC000079886197	542547281	/nfs/dbraw/zinc/54/72/81/542547281.db2.gz	UDWUNLLXYAODSG-CABCVRRESA-N	1	1	362.499	2.383	20	30		FEEDMO
N#CCC[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CC1CC1	ZINC000081044690	542627500	/nfs/dbraw/zinc/62/75/00/542627500.db2.gz	JDBUOWKGMCGTJZ-UHFFFAOYSA-N	1	1	358.461	2.490	20	30		FEEDMO
CCN(C[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1)CC(F)(F)F	ZINC000081558635	542665346	/nfs/dbraw/zinc/66/53/46/542665346.db2.gz	MSZDXOQEAIBIFW-ZBFHGGJFSA-N	1	1	362.440	2.247	20	30		FEEDMO
CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	ZINC000081525727	542663428	/nfs/dbraw/zinc/66/34/28/542663428.db2.gz	DFKBFVHCEZDKNI-ZIAGYGMSSA-N	1	1	362.499	2.333	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2nnc[nH]2)CC1	ZINC000083445179	542697695	/nfs/dbraw/zinc/69/76/95/542697695.db2.gz	IWALXEZUNJPVDR-CQSZACIVSA-N	1	1	370.432	2.459	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)C[C@@H](C)c2ccccc2)CC1	ZINC000091554704	542812443	/nfs/dbraw/zinc/81/24/43/542812443.db2.gz	NXGUWFMYAZWEDY-QUCCMNQESA-N	1	1	356.514	2.414	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2cccn2C)CC1	ZINC000091588817	542814047	/nfs/dbraw/zinc/81/40/47/542814047.db2.gz	LFGJPQQLZKCCGV-WOJBJXKFSA-N	1	1	371.529	2.244	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2c2cccn2C)CC1	ZINC000091588817	542814051	/nfs/dbraw/zinc/81/40/51/542814051.db2.gz	LFGJPQQLZKCCGV-WOJBJXKFSA-N	1	1	371.529	2.244	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1	ZINC000092239764	542851450	/nfs/dbraw/zinc/85/14/50/542851450.db2.gz	QSWRJXSXWFGFTH-AOCRQIFASA-N	1	1	371.485	2.284	20	30		FEEDMO
COc1ccc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1OCCCC#N	ZINC000092189162	542848167	/nfs/dbraw/zinc/84/81/67/542848167.db2.gz	LDLFGKIFDLVHNY-QGZVFWFLSA-N	1	1	372.469	2.367	20	30		FEEDMO
C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cnc2ccc(C#N)cn12	ZINC000092585514	542872626	/nfs/dbraw/zinc/87/26/26/542872626.db2.gz	VKDMPBAMGQVNGQ-CYBMUJFWSA-N	1	1	369.450	2.046	20	30		FEEDMO
C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12	ZINC000092585514	542872630	/nfs/dbraw/zinc/87/26/30/542872630.db2.gz	VKDMPBAMGQVNGQ-CYBMUJFWSA-N	1	1	369.450	2.046	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccccc1	ZINC000092616955	542875502	/nfs/dbraw/zinc/87/55/02/542875502.db2.gz	ZTRHMMHNPGBFQJ-HXUWFJFHSA-N	1	1	354.498	2.367	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccccc1	ZINC000092616955	542875508	/nfs/dbraw/zinc/87/55/08/542875508.db2.gz	ZTRHMMHNPGBFQJ-HXUWFJFHSA-N	1	1	354.498	2.367	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000103466838	543108783	/nfs/dbraw/zinc/10/87/83/543108783.db2.gz	PVEQTGGSAXFNTL-AWEZNQCLSA-N	1	1	370.482	2.366	20	30		FEEDMO
Cn1cc(C(=O)NCC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)cn1	ZINC000104091449	543122715	/nfs/dbraw/zinc/12/27/15/543122715.db2.gz	OVKRCFDNICOPQR-UHFFFAOYSA-N	1	1	355.417	2.073	20	30		FEEDMO
C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000104075747	543122297	/nfs/dbraw/zinc/12/22/97/543122297.db2.gz	GENLSMUZYIPMNO-OLZOCXBDSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000104075747	543122300	/nfs/dbraw/zinc/12/23/00/543122300.db2.gz	GENLSMUZYIPMNO-OLZOCXBDSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[N@@H+](CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C1CCCC1	ZINC000104806181	543146308	/nfs/dbraw/zinc/14/63/08/543146308.db2.gz	WEZRIPLJBVMPRL-UHFFFAOYSA-N	1	1	373.476	2.403	20	30		FEEDMO
C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104963561	543153178	/nfs/dbraw/zinc/15/31/78/543153178.db2.gz	QKCAKAOPGKTFHT-KXBFYZLASA-N	1	1	357.454	2.085	20	30		FEEDMO
CCOCC[NH+]1CCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1	ZINC000106105867	543198375	/nfs/dbraw/zinc/19/83/75/543198375.db2.gz	GEOSMAGDARRWQQ-UHFFFAOYSA-N	1	1	372.513	2.204	20	30		FEEDMO
CCOCC[NH+]1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1	ZINC000106106531	543198725	/nfs/dbraw/zinc/19/87/25/543198725.db2.gz	HTAUADCTSUFTDG-UHFFFAOYSA-N	1	1	372.513	2.204	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2S(C)(=O)=O)CC1	ZINC000106318635	543223156	/nfs/dbraw/zinc/22/31/56/543223156.db2.gz	XUMNKVIUQPHXSA-UHFFFAOYSA-N	1	1	351.472	2.252	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](Cn2cncn2)C1	ZINC000108879482	543307292	/nfs/dbraw/zinc/30/72/92/543307292.db2.gz	KVNWMXPIMNEGKG-HKUYNNGSSA-N	1	1	356.470	2.159	20	30		FEEDMO
COc1ccc(C[N@@H+]2CCCN(C(=O)C3(C#N)CCOCC3)CC2)cc1	ZINC000109139220	543315769	/nfs/dbraw/zinc/31/57/69/543315769.db2.gz	MESWTYDZOOEZLI-UHFFFAOYSA-N	1	1	357.454	2.050	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCN(C(=O)C3(C#N)CCOCC3)CC2)cc1	ZINC000109139220	543315770	/nfs/dbraw/zinc/31/57/70/543315770.db2.gz	MESWTYDZOOEZLI-UHFFFAOYSA-N	1	1	357.454	2.050	20	30		FEEDMO
CN1CCN(C(=O)CC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)CC1	ZINC000111241550	543388726	/nfs/dbraw/zinc/38/87/26/543388726.db2.gz	QCRMKXPVLKNYMY-UHFFFAOYSA-N	1	1	358.461	2.073	20	30		FEEDMO
C=CC1CC[NH+](CC(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CC1	ZINC000111260148	543389953	/nfs/dbraw/zinc/38/99/53/543389953.db2.gz	AHTWBILRLCCYGG-UHFFFAOYSA-N	1	1	354.458	2.424	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C(C)(C)C(=O)N(C)C	ZINC000114457376	543516904	/nfs/dbraw/zinc/51/69/04/543516904.db2.gz	VJRFZFOYRSUJNX-CYBMUJFWSA-N	1	1	362.499	2.333	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000118096637	543644704	/nfs/dbraw/zinc/64/47/04/543644704.db2.gz	QQCMHMLALBQTOD-LSDHHAIUSA-N	1	1	374.510	2.477	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000120956992	543686831	/nfs/dbraw/zinc/68/68/31/543686831.db2.gz	IFGZQVXXSUGCPG-INIZCTEOSA-N	1	1	362.430	2.197	20	30		FEEDMO
C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000119347522	543666188	/nfs/dbraw/zinc/66/61/88/543666188.db2.gz	JUAWFAKLDCNKKK-YJBOKZPZSA-N	1	1	372.469	2.106	20	30		FEEDMO
C#CCCCCC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000119739629	543671132	/nfs/dbraw/zinc/67/11/32/543671132.db2.gz	WCCQBQWAFOCZBM-UHFFFAOYSA-N	1	1	357.454	2.215	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1	ZINC000119715792	543671302	/nfs/dbraw/zinc/67/13/02/543671302.db2.gz	OGNBQLOLHXHUDD-CRAIPNDOSA-N	1	1	359.470	2.379	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CSCc1ccc(C#N)cc1	ZINC000122934926	543732443	/nfs/dbraw/zinc/73/24/43/543732443.db2.gz	NTRJAWHBJYIENU-UHFFFAOYSA-N	1	1	374.554	2.276	20	30		FEEDMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CSCc1ccc(C#N)cc1	ZINC000122934926	543732447	/nfs/dbraw/zinc/73/24/47/543732447.db2.gz	NTRJAWHBJYIENU-UHFFFAOYSA-N	1	1	374.554	2.276	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC(C)(C)CN1CCOCC1	ZINC000123911184	543790666	/nfs/dbraw/zinc/79/06/66/543790666.db2.gz	VCCFPTWVVVJQQX-MRXNPFEDSA-N	1	1	358.486	2.175	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000123911184	543790668	/nfs/dbraw/zinc/79/06/68/543790668.db2.gz	VCCFPTWVVVJQQX-MRXNPFEDSA-N	1	1	358.486	2.175	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000123373085	543757280	/nfs/dbraw/zinc/75/72/80/543757280.db2.gz	QOCALLAWSMFYCI-QGZVFWFLSA-N	1	1	355.486	2.122	20	30		FEEDMO
Cc1oc(NC(=O)CN2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C	ZINC000123636115	543774183	/nfs/dbraw/zinc/77/41/83/543774183.db2.gz	SIHUEEKFLUIKJG-OAHLLOKOSA-N	1	1	355.442	2.395	20	30		FEEDMO
CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000124320735	543814225	/nfs/dbraw/zinc/81/42/25/543814225.db2.gz	GNPIVWBNZWUJNM-UHFFFAOYSA-N	1	1	357.426	2.378	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[N@@H+]1C1CC1	ZINC000124011105	543796333	/nfs/dbraw/zinc/79/63/33/543796333.db2.gz	GCABBARAYGEKBL-CMPLNLGQSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C[N@H+]1C1CC1	ZINC000124011105	543796336	/nfs/dbraw/zinc/79/63/36/543796336.db2.gz	GCABBARAYGEKBL-CMPLNLGQSA-N	1	1	373.400	2.481	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000125853061	543905995	/nfs/dbraw/zinc/90/59/95/543905995.db2.gz	HEXJCYNZKANGHR-HKUYNNGSSA-N	1	1	352.438	2.296	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000125853061	543905998	/nfs/dbraw/zinc/90/59/98/543905998.db2.gz	HEXJCYNZKANGHR-HKUYNNGSSA-N	1	1	352.438	2.296	20	30		FEEDMO
COc1ccc(C[NH+]2CCN(c3cnn(C)c3)CC2)cc1OCCCC#N	ZINC000126121480	543918985	/nfs/dbraw/zinc/91/89/85/543918985.db2.gz	DWJHASFNFLUGJC-UHFFFAOYSA-N	1	1	369.469	2.433	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3[C@H]3CNC(=O)C3)o2)cc1	ZINC000125653517	543894315	/nfs/dbraw/zinc/89/43/15/543894315.db2.gz	WGNULGXPFSRYEZ-CVEARBPZSA-N	1	1	351.410	2.099	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](CO)c1cccc(Br)c1	ZINC000125693928	543896251	/nfs/dbraw/zinc/89/62/51/543896251.db2.gz	IREAZAJJYSHYMO-HNNXBMFYSA-N	1	1	368.275	2.176	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1	ZINC000125693928	543896253	/nfs/dbraw/zinc/89/62/53/543896253.db2.gz	IREAZAJJYSHYMO-HNNXBMFYSA-N	1	1	368.275	2.176	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1	ZINC000127455130	543993987	/nfs/dbraw/zinc/99/39/87/543993987.db2.gz	ZKQGUDBRNQDICN-CRAIPNDOSA-N	1	1	356.470	2.341	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1	ZINC000127534901	543999031	/nfs/dbraw/zinc/99/90/31/543999031.db2.gz	BADHWPMCKPDZKA-KRWDZBQOSA-N	1	1	365.462	2.419	20	30		FEEDMO
CC[C@H](CC#N)NC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000128202868	544038844	/nfs/dbraw/zinc/03/88/44/544038844.db2.gz	FCRQCYYCQOACSC-BFYDXBDKSA-N	1	1	372.469	2.043	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)c(-c2ccncc2)n1	ZINC000129693784	544123862	/nfs/dbraw/zinc/12/38/62/544123862.db2.gz	PDHDXYGXVRVZDN-UHFFFAOYSA-N	1	1	373.464	2.461	20	30		FEEDMO
C=CCOc1cccc(C[NH+]2CCN(c3cc(C)nc4ncnn43)CC2)c1	ZINC000133911802	544287584	/nfs/dbraw/zinc/28/75/84/544287584.db2.gz	IVKFOVNDQSVPQR-UHFFFAOYSA-N	1	1	364.453	2.320	20	30		FEEDMO
C=C(C)COCCNC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000134999636	544330577	/nfs/dbraw/zinc/33/05/77/544330577.db2.gz	XMKBRHSELJKCOJ-HXUWFJFHSA-N	1	1	374.529	2.257	20	30		FEEDMO
C=C(C)COCCNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000134999636	544330579	/nfs/dbraw/zinc/33/05/79/544330579.db2.gz	XMKBRHSELJKCOJ-HXUWFJFHSA-N	1	1	374.529	2.257	20	30		FEEDMO
C=C(C)COCCNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000134999636	544330582	/nfs/dbraw/zinc/33/05/82/544330582.db2.gz	XMKBRHSELJKCOJ-HXUWFJFHSA-N	1	1	374.529	2.257	20	30		FEEDMO
COc1ccc(OCC[N@@H+](C)C[C@@H](O)COc2ccccc2C#N)cc1	ZINC000141583283	544413466	/nfs/dbraw/zinc/41/34/66/544413466.db2.gz	KNUIYHNDONXKFT-QGZVFWFLSA-N	1	1	356.422	2.317	20	30		FEEDMO
COc1cc2c(cc1OC)CC[NH+](CC(=O)NC1(C#N)CCCCC1)CC2	ZINC000138721816	544397804	/nfs/dbraw/zinc/39/78/04/544397804.db2.gz	IXZZXOPSSOAAPI-UHFFFAOYSA-N	1	1	371.481	2.447	20	30		FEEDMO
C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000150879146	544482141	/nfs/dbraw/zinc/48/21/41/544482141.db2.gz	ACHMUXPLNUBVPY-AWEZNQCLSA-N	1	1	353.488	2.339	20	30		FEEDMO
C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000150894892	544483656	/nfs/dbraw/zinc/48/36/56/544483656.db2.gz	URUYLWZZGQQJBC-AWEZNQCLSA-N	1	1	353.488	2.339	20	30		FEEDMO
CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153310088	544759105	/nfs/dbraw/zinc/75/91/05/544759105.db2.gz	VSKIVJTXJJYKNV-SFHVURJKSA-N	1	1	368.485	2.338	20	30		FEEDMO
CNC(=O)CCC[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000155012408	544977036	/nfs/dbraw/zinc/97/70/36/544977036.db2.gz	TVSHRNISUHWUAC-AWEZNQCLSA-N	1	1	362.499	2.335	20	30		FEEDMO
N#Cc1ccnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1Cl	ZINC000553082286	674237637	/nfs/dbraw/zinc/23/76/37/674237637.db2.gz	YHXSJBYLGPTDTP-IAGOWNOFSA-N	1	1	356.857	2.902	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCCCC#N)[C@@H]1c1cccs1	ZINC000553271989	674249703	/nfs/dbraw/zinc/24/97/03/674249703.db2.gz	LPIZZXIHQKYMIW-GDBMZVCRSA-N	1	1	362.499	2.057	20	30		FEEDMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C#N)cs1	ZINC000188072007	328063920	/nfs/dbraw/zinc/06/39/20/328063920.db2.gz	VEASYUXSJKCQJL-IBGZPJMESA-N	1	1	355.463	2.329	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(F)c1C#N	ZINC000188184873	328071822	/nfs/dbraw/zinc/07/18/22/328071822.db2.gz	MFYGATURGHHEJY-OAQYLSRUSA-N	1	1	367.424	2.406	20	30		FEEDMO
COCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000189662070	328160797	/nfs/dbraw/zinc/16/07/97/328160797.db2.gz	NHGFJNKFSYGLLB-DOMZBBRYSA-N	1	1	351.834	2.276	20	30		FEEDMO
COCCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000189662070	328160798	/nfs/dbraw/zinc/16/07/98/328160798.db2.gz	NHGFJNKFSYGLLB-DOMZBBRYSA-N	1	1	351.834	2.276	20	30		FEEDMO
CCO[C@H]1C[C@](CO)([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C1(C)C	ZINC000190023752	328183322	/nfs/dbraw/zinc/18/33/22/328183322.db2.gz	VQUHEIGVAKFHQC-HNAYVOBHSA-N	1	1	356.426	2.264	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCN(C)C(=O)C3)sc2C1	ZINC000191146503	328251608	/nfs/dbraw/zinc/25/16/08/328251608.db2.gz	KIOKRGZPCKPKJJ-ZDUSSCGKSA-N	1	1	374.510	2.237	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCN(C)C(=O)C3)sc2C1	ZINC000191146503	328251609	/nfs/dbraw/zinc/25/16/09/328251609.db2.gz	KIOKRGZPCKPKJJ-ZDUSSCGKSA-N	1	1	374.510	2.237	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccco1	ZINC000088767190	325300431	/nfs/dbraw/zinc/30/04/31/325300431.db2.gz	JQPDLHZRUVLZBV-CQSZACIVSA-N	1	1	360.801	2.162	20	30		FEEDMO
C[C@@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943660	325343936	/nfs/dbraw/zinc/34/39/36/325343936.db2.gz	SJIJAZUYDUAKRG-ZDUSSCGKSA-N	1	1	350.430	2.070	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCN1CCCc2ccccc21	ZINC000090552222	325363556	/nfs/dbraw/zinc/36/35/56/325363556.db2.gz	FLPDDXIHHAHYGU-KRWDZBQOSA-N	1	1	362.481	2.312	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C#N	ZINC000120712860	326281115	/nfs/dbraw/zinc/28/11/15/326281115.db2.gz	PCPNCMPOSHLQDH-RHSMWYFYSA-N	1	1	372.469	2.225	20	30		FEEDMO
CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000120893751	326297207	/nfs/dbraw/zinc/29/72/07/326297207.db2.gz	OZGBTHPUPOZPDW-FUHWJXTLSA-N	1	1	373.501	2.404	20	30		FEEDMO
CCC[C@H]1CN(CC(=O)Nc2oc(C)c(C)c2C#N)CC[N@H+]1CCOC	ZINC000121646189	326354665	/nfs/dbraw/zinc/35/46/65/326354665.db2.gz	UZNGSOXYWKSABY-INIZCTEOSA-N	1	1	362.474	2.139	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000121708001	326359969	/nfs/dbraw/zinc/35/99/69/326359969.db2.gz	UJIPVKPRZAWFKN-DYVFJYSZSA-N	1	1	363.458	2.335	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(N2CCCCC2=O)CC1	ZINC000153071767	326723300	/nfs/dbraw/zinc/72/33/00/326723300.db2.gz	CLJXVUWWELQIFJ-HNNXBMFYSA-N	1	1	354.454	2.362	20	30		FEEDMO
C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(C#N)[nH]2)C[C@@H](C)O1	ZINC000158359066	326893642	/nfs/dbraw/zinc/89/36/42/326893642.db2.gz	CTCVBDQFZGNETO-HUUCEWRRSA-N	1	1	352.438	2.426	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000170780153	327098720	/nfs/dbraw/zinc/09/87/20/327098720.db2.gz	AVLWJPBVRRTTBF-CALCHBBNSA-N	1	1	370.497	2.318	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000171112641	327119167	/nfs/dbraw/zinc/11/91/67/327119167.db2.gz	LBGJQAFRXAZSTN-CALCHBBNSA-N	1	1	370.497	2.162	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1	ZINC000171787388	327161282	/nfs/dbraw/zinc/16/12/82/327161282.db2.gz	QUAITRHLEWPEIE-INIZCTEOSA-N	1	1	364.449	2.442	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000173831720	327287411	/nfs/dbraw/zinc/28/74/11/327287411.db2.gz	XQYLXUVOCQYPMR-ZIAGYGMSSA-N	1	1	353.875	2.459	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000173831061	327287436	/nfs/dbraw/zinc/28/74/36/327287436.db2.gz	ORXJOHKHOOGZCY-UONOGXRCSA-N	1	1	353.875	2.459	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@@H](CO)C2)c1C#N	ZINC000174707580	327344560	/nfs/dbraw/zinc/34/45/60/327344560.db2.gz	CUKXJVFUWPHIFE-OAHLLOKOSA-N	1	1	370.428	2.358	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@@H](CO)C2)c1C#N	ZINC000174707580	327344561	/nfs/dbraw/zinc/34/45/61/327344561.db2.gz	CUKXJVFUWPHIFE-OAHLLOKOSA-N	1	1	370.428	2.358	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ncncc3Cl)CC2)cc1	ZINC000175108571	327374567	/nfs/dbraw/zinc/37/45/67/327374567.db2.gz	TUERSKZMMFNPFL-UHFFFAOYSA-N	1	1	355.829	2.350	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ncncc3Cl)CC2)cc1	ZINC000175108571	327374569	/nfs/dbraw/zinc/37/45/69/327374569.db2.gz	TUERSKZMMFNPFL-UHFFFAOYSA-N	1	1	355.829	2.350	20	30		FEEDMO
C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C2(CCCCC2)C1	ZINC000175312095	327386475	/nfs/dbraw/zinc/38/64/75/327386475.db2.gz	QSRICQMKSFRKHZ-UHFFFAOYSA-N	1	1	351.447	2.336	20	30		FEEDMO
C[N@H+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C2(CCCCC2)C1	ZINC000175312095	327386476	/nfs/dbraw/zinc/38/64/76/327386476.db2.gz	QSRICQMKSFRKHZ-UHFFFAOYSA-N	1	1	351.447	2.336	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCc2cccc(C#N)c2)C[C@H](C)O1	ZINC000264235332	329002971	/nfs/dbraw/zinc/00/29/71/329002971.db2.gz	GBZDIPXYXUVZHE-FCEWJHQRSA-N	1	1	356.470	2.341	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCc2cccc(C#N)c2)C[C@H](C)O1	ZINC000264235332	329002972	/nfs/dbraw/zinc/00/29/72/329002972.db2.gz	GBZDIPXYXUVZHE-FCEWJHQRSA-N	1	1	356.470	2.341	20	30		FEEDMO
Cc1nc(CN2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)oc1C	ZINC000264542695	329034150	/nfs/dbraw/zinc/03/41/50/329034150.db2.gz	QMBMCFXVRSWWJW-UHFFFAOYSA-N	1	1	367.453	2.310	20	30		FEEDMO
C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000264746142	329056052	/nfs/dbraw/zinc/05/60/52/329056052.db2.gz	UCLIWLQFJKKDNC-ZBFHGGJFSA-N	1	1	363.458	2.143	20	30		FEEDMO
COC(=O)[C@@H]1CC12CC[NH+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000267623818	329344091	/nfs/dbraw/zinc/34/40/91/329344091.db2.gz	QYPKKOMEOCPVJK-UONOGXRCSA-N	1	1	359.451	2.000	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](C)C1CCN(c2cnccn2)CC1	ZINC000364808865	330206223	/nfs/dbraw/zinc/20/62/23/330206223.db2.gz	BEFGNGCXSMMNHU-UHFFFAOYSA-N	1	1	367.453	2.336	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@@H]1CC[N@H+](CCOC)C1)c1ccc(Cl)cc1F	ZINC000805136223	674321878	/nfs/dbraw/zinc/32/18/78/674321878.db2.gz	AWQYRMQCQOCMKJ-CJNGLKHVSA-N	1	1	353.825	2.173	20	30		FEEDMO
C#C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F	ZINC000805185274	674325014	/nfs/dbraw/zinc/32/50/14/674325014.db2.gz	DCHWGZXRFXQAKH-SUMWQHHRSA-N	1	1	367.852	2.421	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21	ZINC000155370281	545518731	/nfs/dbraw/zinc/51/87/31/545518731.db2.gz	QOLRVEYUAKOUMD-CJNGLKHVSA-N	1	1	360.845	2.093	20	30		FEEDMO
CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CCCOc1cccc(C#N)c1	ZINC000155620311	545549961	/nfs/dbraw/zinc/54/99/61/545549961.db2.gz	BQJWXHISAQPIKI-QGZVFWFLSA-N	1	1	365.499	2.121	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1	ZINC000155767634	545568073	/nfs/dbraw/zinc/56/80/73/545568073.db2.gz	ZMLZBQBNZVSOKE-INIZCTEOSA-N	1	1	360.421	2.419	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1	ZINC000155767634	545568078	/nfs/dbraw/zinc/56/80/78/545568078.db2.gz	ZMLZBQBNZVSOKE-INIZCTEOSA-N	1	1	360.421	2.419	20	30		FEEDMO
Cc1nc(CN2CCC[N@@H+](CCCOc3cccc(C#N)c3)CC2)no1	ZINC000156191475	545607061	/nfs/dbraw/zinc/60/70/61/545607061.db2.gz	LADPJEUUPHUZRD-UHFFFAOYSA-N	1	1	355.442	2.227	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(CCCOc2cccc(C#N)c2)CC1	ZINC000156294103	545615132	/nfs/dbraw/zinc/61/51/32/545615132.db2.gz	MPBVAVVYLMMVGS-HXUWFJFHSA-N	1	1	356.514	2.429	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)Nc2ccccc2SCC#N)C1	ZINC000156622254	545640128	/nfs/dbraw/zinc/64/01/28/545640128.db2.gz	SDJXZEAIAFKAQS-HNNXBMFYSA-N	1	1	360.483	2.041	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000157244083	545717892	/nfs/dbraw/zinc/71/78/92/545717892.db2.gz	GPMGJZAEKQASLN-LLVKDONJSA-N	1	1	361.389	2.149	20	30		FEEDMO
C=C(C)CN(CC)C(=O)CN(C)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000157762847	545781427	/nfs/dbraw/zinc/78/14/27/545781427.db2.gz	MSTIKGJSISZEMI-UHFFFAOYSA-N	1	1	358.530	2.165	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+](C)CCN1CCN(c2ccccc2)CC1	ZINC000157762847	545781431	/nfs/dbraw/zinc/78/14/31/545781431.db2.gz	MSTIKGJSISZEMI-UHFFFAOYSA-N	1	1	358.530	2.165	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+](C)CCN1CCN(c2ccccc2)CC1	ZINC000157762847	545781433	/nfs/dbraw/zinc/78/14/33/545781433.db2.gz	MSTIKGJSISZEMI-UHFFFAOYSA-N	1	1	358.530	2.165	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1C#N	ZINC000160178583	546014721	/nfs/dbraw/zinc/01/47/21/546014721.db2.gz	DXIRAVPWIYBYJO-HNNXBMFYSA-N	1	1	372.469	2.275	20	30		FEEDMO
C=CCCCCC[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C	ZINC000163597676	546146112	/nfs/dbraw/zinc/14/61/12/546146112.db2.gz	ZFOUTIWWXFJJSN-UHFFFAOYSA-N	1	1	353.488	2.259	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1	ZINC000164288069	546149605	/nfs/dbraw/zinc/14/96/05/546149605.db2.gz	VJFKTEULSKXSFG-IRXDYDNUSA-N	1	1	371.481	2.435	20	30		FEEDMO
COc1cccc([C@@H](C)[NH+]2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1	ZINC000171706500	546219379	/nfs/dbraw/zinc/21/93/79/546219379.db2.gz	LAVMTJXTDKMUSU-IERDGZPVSA-N	1	1	370.497	2.182	20	30		FEEDMO
C#CCSCCNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2	ZINC000172542817	546257393	/nfs/dbraw/zinc/25/73/93/546257393.db2.gz	ITJJPPNKVCROOM-HNNXBMFYSA-N	1	1	373.522	2.468	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C3(C#N)CCCC3)c2)CC1	ZINC000173826425	546287506	/nfs/dbraw/zinc/28/75/06/546287506.db2.gz	PMBDODLPWIKSJU-UHFFFAOYSA-N	1	1	354.454	2.026	20	30		FEEDMO
C[N@H+](CCCSCC#N)CC(=O)Nc1ccc(Br)cn1	ZINC000173882835	546288540	/nfs/dbraw/zinc/28/85/40/546288540.db2.gz	PIYTUPYOMZJSQL-UHFFFAOYSA-N	1	1	357.277	2.361	20	30		FEEDMO
C[N@@H+](CCCSCC#N)CC(=O)Nc1ccc(Br)cn1	ZINC000173882835	546288545	/nfs/dbraw/zinc/28/85/45/546288545.db2.gz	PIYTUPYOMZJSQL-UHFFFAOYSA-N	1	1	357.277	2.361	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1OC	ZINC000174180760	546292699	/nfs/dbraw/zinc/29/26/99/546292699.db2.gz	NNJXYTQKVMZONV-INIZCTEOSA-N	1	1	360.454	2.054	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000175949702	546377688	/nfs/dbraw/zinc/37/76/88/546377688.db2.gz	TUQAMILEWQIWSX-AWEZNQCLSA-N	1	1	360.433	2.264	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000175967716	546381632	/nfs/dbraw/zinc/38/16/32/546381632.db2.gz	MQKVWJSUXKPLLE-ZDUSSCGKSA-N	1	1	360.433	2.263	20	30		FEEDMO
CN1CC[NH+](CCOc2ccc(NC(=O)C#Cc3ccccc3)cc2)CC1	ZINC000176481736	546451647	/nfs/dbraw/zinc/45/16/47/546451647.db2.gz	CVGBIINWPYMZLX-UHFFFAOYSA-N	1	1	363.461	2.303	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)CCCCC1	ZINC000177618551	546654527	/nfs/dbraw/zinc/65/45/27/546654527.db2.gz	GEYCCPHJOGUCHO-SFHVURJKSA-N	1	1	363.502	2.379	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000177738368	546677227	/nfs/dbraw/zinc/67/72/27/546677227.db2.gz	ZHQXORUVNGGVFI-IRXDYDNUSA-N	1	1	371.485	2.049	20	30		FEEDMO
Cc1cccc(S(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1C#N	ZINC000178516193	546806532	/nfs/dbraw/zinc/80/65/32/546806532.db2.gz	FAHQAQLLGJQVKP-UHFFFAOYSA-N	1	1	370.478	2.205	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2cccc(C#N)c2C)CC1	ZINC000178583538	546815771	/nfs/dbraw/zinc/81/57/71/546815771.db2.gz	JWSJIOWIIDZSIB-UHFFFAOYSA-N	1	1	371.485	2.275	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2cccc(C#N)c2C)CC1	ZINC000178583538	546815776	/nfs/dbraw/zinc/81/57/76/546815776.db2.gz	JWSJIOWIIDZSIB-UHFFFAOYSA-N	1	1	371.485	2.275	20	30		FEEDMO
COCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000179336585	546933198	/nfs/dbraw/zinc/93/31/98/546933198.db2.gz	DWKSHOAFWIQOFJ-MJGOQNOKSA-N	1	1	359.470	2.449	20	30		FEEDMO
COCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000179336585	546933202	/nfs/dbraw/zinc/93/32/02/546933202.db2.gz	DWKSHOAFWIQOFJ-MJGOQNOKSA-N	1	1	359.470	2.449	20	30		FEEDMO
N#Cc1csc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1	ZINC000179431221	546952335	/nfs/dbraw/zinc/95/23/35/546952335.db2.gz	CRMOJTCDNGTOFI-IAGOWNOFSA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1csc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1	ZINC000179431221	546952338	/nfs/dbraw/zinc/95/23/38/546952338.db2.gz	CRMOJTCDNGTOFI-IAGOWNOFSA-N	1	1	355.463	2.233	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000180288297	547079288	/nfs/dbraw/zinc/07/92/88/547079288.db2.gz	OLFVWIHWEDTTCR-KRWDZBQOSA-N	1	1	351.454	2.259	20	30		FEEDMO
C[C@H]1CCC[C@@H]([NH+]2CCC(NCCNC(=O)C3N=CC=CC3=O)CC2)C1	ZINC000180882669	547201365	/nfs/dbraw/zinc/20/13/65/547201365.db2.gz	LVXJUWBHHFKYET-LPYRORPOSA-N	1	1	360.502	2.146	20	30		FEEDMO
C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000483304263	561273517	/nfs/dbraw/zinc/27/35/17/561273517.db2.gz	PTBFSSOLXLGTBO-WMLDXEAASA-N	1	1	365.861	2.058	20	30		FEEDMO
C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000483304263	561273518	/nfs/dbraw/zinc/27/35/18/561273518.db2.gz	PTBFSSOLXLGTBO-WMLDXEAASA-N	1	1	365.861	2.058	20	30		FEEDMO
C[C@@H](C#N)CNC(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000182640161	547526887	/nfs/dbraw/zinc/52/68/87/547526887.db2.gz	QRTWGDLPVAPFOQ-INIZCTEOSA-N	1	1	374.485	2.135	20	30		FEEDMO
C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nnc2ccccn21	ZINC000182673412	547531404	/nfs/dbraw/zinc/53/14/04/547531404.db2.gz	OQAUPOZBRMYWRU-RHSMWYFYSA-N	1	1	360.421	2.447	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21	ZINC000182850543	547561283	/nfs/dbraw/zinc/56/12/83/547561283.db2.gz	NAWYXHIMUBEXHO-YZGWKJHDSA-N	1	1	352.482	2.470	20	30		FEEDMO
C=CC[NH+](CC=C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000183160273	547613013	/nfs/dbraw/zinc/61/30/13/547613013.db2.gz	OBCXVRVJWJSVND-IBGZPJMESA-N	1	1	356.445	2.209	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1C#N	ZINC000183164641	547613843	/nfs/dbraw/zinc/61/38/43/547613843.db2.gz	DWKJIAQGTWSKOI-CVEARBPZSA-N	1	1	370.453	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1C#N	ZINC000183164641	547613845	/nfs/dbraw/zinc/61/38/45/547613845.db2.gz	DWKJIAQGTWSKOI-CVEARBPZSA-N	1	1	370.453	2.259	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1	ZINC000184598849	547852525	/nfs/dbraw/zinc/85/25/25/547852525.db2.gz	IBDIXYOWPGJFJI-MRXNPFEDSA-N	1	1	360.458	2.389	20	30		FEEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184598698	547852781	/nfs/dbraw/zinc/85/27/81/547852781.db2.gz	GUTFYCKDSRVHAK-KRWDZBQOSA-N	1	1	367.457	2.477	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000184617748	547855736	/nfs/dbraw/zinc/85/57/36/547855736.db2.gz	YSLYOAKYIHAIAY-JKSUJKDBSA-N	1	1	359.474	2.125	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C	ZINC000185406817	547980634	/nfs/dbraw/zinc/98/06/34/547980634.db2.gz	FBVRDBCBKTVCTD-AWEZNQCLSA-N	1	1	351.472	2.110	20	30		FEEDMO
C=CCSc1ccccc1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000485463145	561319610	/nfs/dbraw/zinc/31/96/10/561319610.db2.gz	GZZVBCFONUPBOZ-OAHLLOKOSA-N	1	1	361.511	2.282	20	30		FEEDMO
CC#CCCCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000185725274	548025421	/nfs/dbraw/zinc/02/54/21/548025421.db2.gz	KUVWAHOWRJUXHQ-IBGZPJMESA-N	1	1	355.482	2.194	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@]23CCOC3=O)sc2c1CCC2	ZINC000186676309	548172830	/nfs/dbraw/zinc/17/28/30/548172830.db2.gz	MRYBKWZUCDOXLZ-SFHVURJKSA-N	1	1	359.451	2.219	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@]23CCOC3=O)sc2c1CCC2	ZINC000186676309	548172836	/nfs/dbraw/zinc/17/28/36/548172836.db2.gz	MRYBKWZUCDOXLZ-SFHVURJKSA-N	1	1	359.451	2.219	20	30		FEEDMO
C=C(C)[C@@H]([NH2+]CC(=O)NCCCN1CCCC1=O)c1ccc(F)c(F)c1	ZINC000187770191	548262706	/nfs/dbraw/zinc/26/27/06/548262706.db2.gz	LGTDXELUXYLSBP-LJQANCHMSA-N	1	1	365.424	2.300	20	30		FEEDMO
C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(C(C)=O)CC1)c1ccc(F)c(F)c1	ZINC000187781928	548264261	/nfs/dbraw/zinc/26/42/61/548264261.db2.gz	SMDFZPVCXCGHRW-SCLBCKFNSA-N	1	1	365.424	2.251	20	30		FEEDMO
C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1(CO)CCOCC1	ZINC000190986545	548337958	/nfs/dbraw/zinc/33/79/58/548337958.db2.gz	GUZYRTCVLOQBFJ-UHFFFAOYSA-N	1	1	355.438	2.211	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccccc2)CC1	ZINC000193248342	548384011	/nfs/dbraw/zinc/38/40/11/548384011.db2.gz	SBTKFRQEINKDCT-GOSISDBHSA-N	1	1	355.482	2.424	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccc2)CC1	ZINC000193248342	548384016	/nfs/dbraw/zinc/38/40/16/548384016.db2.gz	SBTKFRQEINKDCT-GOSISDBHSA-N	1	1	355.482	2.424	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1	ZINC000194917251	548550742	/nfs/dbraw/zinc/55/07/42/548550742.db2.gz	ZLUQBQFEKUYRJW-KFWWJZLASA-N	1	1	372.494	2.039	20	30		FEEDMO
CCC[C@@H]1CN([C@@H](C(=O)OC)c2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000245931868	549022147	/nfs/dbraw/zinc/02/21/47/549022147.db2.gz	PMFNESIECFCYMF-RTBURBONSA-N	1	1	359.470	2.205	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(C#N)c1C	ZINC000246292652	549098901	/nfs/dbraw/zinc/09/89/01/549098901.db2.gz	VGYVLUZKIZCVOE-ZFWWWQNUSA-N	1	1	374.485	2.280	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000246555119	549161263	/nfs/dbraw/zinc/16/12/63/549161263.db2.gz	LMNZPGRKTAQYAH-FUHWJXTLSA-N	1	1	356.470	2.122	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1C(=O)NCC[C@H]1C	ZINC000249639060	549613770	/nfs/dbraw/zinc/61/37/70/549613770.db2.gz	XLGBONKMUWUMQG-PBFPGSCMSA-N	1	1	360.483	2.134	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1	ZINC000490245538	561429589	/nfs/dbraw/zinc/42/95/89/561429589.db2.gz	LPJGFJGDGHAMSU-ZWKOTPCHSA-N	1	1	373.497	2.170	20	30		FEEDMO
CC[N@@H+](C)[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1	ZINC000264014065	549968150	/nfs/dbraw/zinc/96/81/50/549968150.db2.gz	GYCSASRUFGSFID-LJQANCHMSA-N	1	1	363.465	2.295	20	30		FEEDMO
CC[N@@H+](C)[C@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccccc1	ZINC000264049204	549972570	/nfs/dbraw/zinc/97/25/70/549972570.db2.gz	SIWVLEQRWBZUPB-FQEVSTJZSA-N	1	1	363.465	2.295	20	30		FEEDMO
COC1CCC([N@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000265180482	550007372	/nfs/dbraw/zinc/00/73/72/550007372.db2.gz	DTOSELRWMWQCSR-XUJLQICISA-N	1	1	368.437	2.401	20	30		FEEDMO
COC1CCC([N@@H+](C)CC(=O)[C@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000265180482	550007376	/nfs/dbraw/zinc/00/73/76/550007376.db2.gz	DTOSELRWMWQCSR-XUJLQICISA-N	1	1	368.437	2.401	20	30		FEEDMO
COCCOC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1	ZINC000266607986	550022163	/nfs/dbraw/zinc/02/21/63/550022163.db2.gz	HAGKFKJIJXIZHO-HNNXBMFYSA-N	1	1	363.483	2.226	20	30		FEEDMO
COCCOC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1	ZINC000266607986	550022165	/nfs/dbraw/zinc/02/21/65/550022165.db2.gz	HAGKFKJIJXIZHO-HNNXBMFYSA-N	1	1	363.483	2.226	20	30		FEEDMO
C=CC[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)CCc1ccco1	ZINC000491386492	561445143	/nfs/dbraw/zinc/44/51/43/561445143.db2.gz	XDJPUKKLHZGQIO-UHFFFAOYSA-N	1	1	368.481	2.444	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@](C)(C(=O)OC)C2)c(OC)c1	ZINC000268333112	550051019	/nfs/dbraw/zinc/05/10/19/550051019.db2.gz	JFYBZCPWKVGYAG-UZLBHIALSA-N	1	1	363.454	2.048	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)[C@H]1CCSC1	ZINC000491823641	561447569	/nfs/dbraw/zinc/44/75/69/561447569.db2.gz	DYHJCXHPGUSPTI-HNNXBMFYSA-N	1	1	355.467	2.002	20	30		FEEDMO
CN(CC(=O)NCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000268539982	550084968	/nfs/dbraw/zinc/08/49/68/550084968.db2.gz	KKBWZIQBDPJDIC-NRFANRHFSA-N	1	1	362.477	2.381	20	30		FEEDMO
N#Cc1csc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1	ZINC000270584429	550286220	/nfs/dbraw/zinc/28/62/20/550286220.db2.gz	DFJXEJGOYLMXBI-IRXDYDNUSA-N	1	1	355.463	2.233	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1	ZINC000270954397	550325006	/nfs/dbraw/zinc/32/50/06/550325006.db2.gz	UDKAQWCRFRKBQV-MJGOQNOKSA-N	1	1	368.481	2.327	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1	ZINC000270954397	550325009	/nfs/dbraw/zinc/32/50/09/550325009.db2.gz	UDKAQWCRFRKBQV-MJGOQNOKSA-N	1	1	368.481	2.327	20	30		FEEDMO
CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000271481064	550378893	/nfs/dbraw/zinc/37/88/93/550378893.db2.gz	ANHZAZQMORHYSG-AWEZNQCLSA-N	1	1	370.375	2.497	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1	ZINC000272022081	550416814	/nfs/dbraw/zinc/41/68/14/550416814.db2.gz	NAUQSPOPHLIPGW-KRWDZBQOSA-N	1	1	356.445	2.102	20	30		FEEDMO
Cc1cc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)nn1CCC#N	ZINC000272059900	550419485	/nfs/dbraw/zinc/41/94/85/550419485.db2.gz	IQBXLTLVOJNRFU-UHFFFAOYSA-N	1	1	358.471	2.347	20	30		FEEDMO
Cc1cc(NC(=O)NCC[N@H+]2CCc3sccc3C2)nn1CCC#N	ZINC000272059900	550419487	/nfs/dbraw/zinc/41/94/87/550419487.db2.gz	IQBXLTLVOJNRFU-UHFFFAOYSA-N	1	1	358.471	2.347	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)ncc1F	ZINC000273860358	550513802	/nfs/dbraw/zinc/51/38/02/550513802.db2.gz	LZSDPNJVPBZHBW-SECBINFHSA-N	1	1	351.241	2.235	20	30		FEEDMO
CS[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1N1CCCC1	ZINC000274087195	550522554	/nfs/dbraw/zinc/52/25/54/550522554.db2.gz	RGLDJSNIFOLNOO-QZTJIDSGSA-N	1	1	358.511	2.398	20	30		FEEDMO
CS[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1N1CCCC1	ZINC000274087195	550522555	/nfs/dbraw/zinc/52/25/55/550522555.db2.gz	RGLDJSNIFOLNOO-QZTJIDSGSA-N	1	1	358.511	2.398	20	30		FEEDMO
N#CCC[C@H](C#N)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000274855625	550559817	/nfs/dbraw/zinc/55/98/17/550559817.db2.gz	SEEOSNFLMGKOGS-CQSZACIVSA-N	1	1	367.413	2.427	20	30		FEEDMO
N#CCC[C@H](C#N)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000274855625	550559819	/nfs/dbraw/zinc/55/98/19/550559819.db2.gz	SEEOSNFLMGKOGS-CQSZACIVSA-N	1	1	367.413	2.427	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000276513639	550578642	/nfs/dbraw/zinc/57/86/42/550578642.db2.gz	XWMJTAYJYQHCPP-HOTGVXAUSA-N	1	1	359.470	2.269	20	30		FEEDMO
C=C[C@@](C)(O)CC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000278921750	550836243	/nfs/dbraw/zinc/83/62/43/550836243.db2.gz	RYVCPDMKQXBZLP-OAQYLSRUSA-N	1	1	359.514	2.028	20	30		FEEDMO
C=C[C@](C)(O)CC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000278921747	550836394	/nfs/dbraw/zinc/83/63/94/550836394.db2.gz	RYVCPDMKQXBZLP-NRFANRHFSA-N	1	1	359.514	2.028	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CC)C[C@H](O)Cn2cnc3cc(C)c(C)cc32)n1	ZINC000279728237	550922417	/nfs/dbraw/zinc/92/24/17/550922417.db2.gz	MWIYATMODNSPCX-IBGZPJMESA-N	1	1	365.481	2.366	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CC)C[C@H](O)Cn2cnc3cc(C)c(C)cc32)n1	ZINC000279728237	550922419	/nfs/dbraw/zinc/92/24/19/550922419.db2.gz	MWIYATMODNSPCX-IBGZPJMESA-N	1	1	365.481	2.366	20	30		FEEDMO
CC1(C)C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1	ZINC000280318425	550980330	/nfs/dbraw/zinc/98/03/30/550980330.db2.gz	GXDGAVDCUNFPTG-WIYYLYMNSA-N	1	1	369.465	2.324	20	30		FEEDMO
CC1(C)C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1	ZINC000280318425	550980331	/nfs/dbraw/zinc/98/03/31/550980331.db2.gz	GXDGAVDCUNFPTG-WIYYLYMNSA-N	1	1	369.465	2.324	20	30		FEEDMO
C[C@@H]1OCC[C@]12C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CCO2	ZINC000280426631	550992714	/nfs/dbraw/zinc/99/27/14/550992714.db2.gz	METJOWRPJJBPHW-YWZLYKJASA-N	1	1	352.438	2.339	20	30		FEEDMO
C[C@@H]1OCC[C@]12C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CCO2	ZINC000280426631	550992716	/nfs/dbraw/zinc/99/27/16/550992716.db2.gz	METJOWRPJJBPHW-YWZLYKJASA-N	1	1	352.438	2.339	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000280489457	550999499	/nfs/dbraw/zinc/99/94/99/550999499.db2.gz	AQUDUANJAYUZLR-FQEVSTJZSA-N	1	1	356.470	2.008	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000280658389	551018553	/nfs/dbraw/zinc/01/85/53/551018553.db2.gz	DRRLBNPDKPUDDK-UZLBHIALSA-N	1	1	356.470	2.026	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000281078319	551061054	/nfs/dbraw/zinc/06/10/54/551061054.db2.gz	JAMCEPZQNKEQRC-HXUWFJFHSA-N	1	1	351.454	2.422	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000281162828	551069523	/nfs/dbraw/zinc/06/95/23/551069523.db2.gz	ZVFNKKJGEJZBOC-HOJAQTOUSA-N	1	1	373.497	2.034	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2	ZINC000281939489	551160629	/nfs/dbraw/zinc/16/06/29/551160629.db2.gz	XETYXTRKQIDRQG-KXBFYZLASA-N	1	1	371.481	2.448	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2	ZINC000281939489	551160631	/nfs/dbraw/zinc/16/06/31/551160631.db2.gz	XETYXTRKQIDRQG-KXBFYZLASA-N	1	1	371.481	2.448	20	30		FEEDMO
C[NH+]1CCN([C@@H](C(=O)NCC2CCC(C#N)CC2)c2ccccc2)CC1	ZINC000282670164	551257896	/nfs/dbraw/zinc/25/78/96/551257896.db2.gz	KKAOKYDPNULCGE-AFMYVXGZSA-N	1	1	354.498	2.421	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c(F)c1	ZINC000283208208	551329367	/nfs/dbraw/zinc/32/93/67/551329367.db2.gz	IDWUQPFMQZCRTR-CQSZACIVSA-N	1	1	363.408	2.121	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCn3cccn3)CC2)cc1	ZINC000497955283	561512379	/nfs/dbraw/zinc/51/23/79/561512379.db2.gz	XWKRHPQMMYDXNO-UHFFFAOYSA-N	1	1	351.454	2.269	20	30		FEEDMO
Cc1ccc2nc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cn2c1	ZINC000284046152	551474131	/nfs/dbraw/zinc/47/41/31/551474131.db2.gz	SCLIDNMRJSYUDB-LJQANCHMSA-N	1	1	359.433	2.405	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000284074701	551479199	/nfs/dbraw/zinc/47/91/99/551479199.db2.gz	RONMEPRZHNRGFI-QAPCUYQASA-N	1	1	356.470	2.116	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000498119890	561516379	/nfs/dbraw/zinc/51/63/79/561516379.db2.gz	UNXNJMHUZZJFCB-ICSRJNTNSA-N	1	1	359.514	2.463	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000498119890	561516380	/nfs/dbraw/zinc/51/63/80/561516380.db2.gz	UNXNJMHUZZJFCB-ICSRJNTNSA-N	1	1	359.514	2.463	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1	ZINC000498119890	561516381	/nfs/dbraw/zinc/51/63/81/561516381.db2.gz	UNXNJMHUZZJFCB-ICSRJNTNSA-N	1	1	359.514	2.463	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000284817697	551641553	/nfs/dbraw/zinc/64/15/53/551641553.db2.gz	XZSGTWRONQNPJQ-QGZVFWFLSA-N	1	1	370.497	2.287	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1	ZINC000285576423	551777346	/nfs/dbraw/zinc/77/73/46/551777346.db2.gz	OCIPZLCIQLUAGH-GOEBONIOSA-N	1	1	358.360	2.077	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1	ZINC000498958963	561539488	/nfs/dbraw/zinc/53/94/88/561539488.db2.gz	OHSONDBWHAUVII-UHFFFAOYSA-N	1	1	368.481	2.065	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)c(F)c1	ZINC000285941240	551829866	/nfs/dbraw/zinc/82/98/66/551829866.db2.gz	HXZQLZVJEQKBGX-HZPDHXFCSA-N	1	1	356.445	2.124	20	30		FEEDMO
N#Cc1ccnc(NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c1	ZINC000286185987	551858651	/nfs/dbraw/zinc/85/86/51/551858651.db2.gz	DTPILXFVSKLSPF-UHFFFAOYSA-N	1	1	365.437	2.226	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1	ZINC000286729863	551919563	/nfs/dbraw/zinc/91/95/63/551919563.db2.gz	XQZKZEFRSAOXHL-HIFRSBDPSA-N	1	1	355.360	2.380	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000288335335	552135580	/nfs/dbraw/zinc/13/55/80/552135580.db2.gz	VWSAPNSMUGKGQC-QGZVFWFLSA-N	1	1	357.458	2.085	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)CCCCC1	ZINC000288935535	552239462	/nfs/dbraw/zinc/23/94/62/552239462.db2.gz	WHYCQCVVPIZISP-HXUWFJFHSA-N	1	1	373.472	2.395	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)CCCCC1	ZINC000288935535	552239465	/nfs/dbraw/zinc/23/94/65/552239465.db2.gz	WHYCQCVVPIZISP-HXUWFJFHSA-N	1	1	373.472	2.395	20	30		FEEDMO
COC(=O)C[C@@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000289288808	552295473	/nfs/dbraw/zinc/29/54/73/552295473.db2.gz	GXVKJYKLPOVBHH-INIZCTEOSA-N	1	1	357.454	2.182	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCC[N@H+](C)CCN(C)C	ZINC000289369044	552308925	/nfs/dbraw/zinc/30/89/25/552308925.db2.gz	IDSFLMCLWVMYCI-IBGZPJMESA-N	1	1	373.545	2.137	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCC[N@@H+](C)CCN(C)C	ZINC000289369044	552308927	/nfs/dbraw/zinc/30/89/27/552308927.db2.gz	IDSFLMCLWVMYCI-IBGZPJMESA-N	1	1	373.545	2.137	20	30		FEEDMO
C=CCOc1ccc(C[NH+]2CCC(NS(=O)(=O)CC)CC2)cc1OC	ZINC000289495433	552330662	/nfs/dbraw/zinc/33/06/62/552330662.db2.gz	SFBOWITYNHCNOA-UHFFFAOYSA-N	1	1	368.499	2.164	20	30		FEEDMO
CC[N@@H+](CCO)CCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1	ZINC000289947749	552404084	/nfs/dbraw/zinc/40/40/84/552404084.db2.gz	WBTSOPXRAGQDEZ-UHFFFAOYSA-N	1	1	369.425	2.181	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1C#N	ZINC000290381833	552470173	/nfs/dbraw/zinc/47/01/73/552470173.db2.gz	QXLAAILYSFQSNB-CQSZACIVSA-N	1	1	360.458	2.129	20	30		FEEDMO
CCOC(=O)c1c[nH+]ccc1N1CCN(c2snc(C)c2C#N)CC1	ZINC000290613605	552507143	/nfs/dbraw/zinc/50/71/43/552507143.db2.gz	FVZLQSTZCZGCST-UHFFFAOYSA-N	1	1	357.439	2.222	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)nc1	ZINC000292156202	552699290	/nfs/dbraw/zinc/69/92/90/552699290.db2.gz	KNTHFQMIPCJQBO-ZWKOTPCHSA-N	1	1	364.405	2.432	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H]3CN(c4ccccc4)C(=O)O3)C2)nc1	ZINC000292156194	552699302	/nfs/dbraw/zinc/69/93/02/552699302.db2.gz	KNTHFQMIPCJQBO-MSOLQXFVSA-N	1	1	364.405	2.432	20	30		FEEDMO
C[C@H](NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000292168984	552700857	/nfs/dbraw/zinc/70/08/57/552700857.db2.gz	LSBQCWMUEYRYMO-YJBOKZPZSA-N	1	1	350.422	2.284	20	30		FEEDMO
C[C@H](NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000292168984	552700859	/nfs/dbraw/zinc/70/08/59/552700859.db2.gz	LSBQCWMUEYRYMO-YJBOKZPZSA-N	1	1	350.422	2.284	20	30		FEEDMO
C[C@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000292168978	552700949	/nfs/dbraw/zinc/70/09/49/552700949.db2.gz	LSBQCWMUEYRYMO-MAUKXSAKSA-N	1	1	350.422	2.284	20	30		FEEDMO
C[C@H](NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000292168978	552700950	/nfs/dbraw/zinc/70/09/50/552700950.db2.gz	LSBQCWMUEYRYMO-MAUKXSAKSA-N	1	1	350.422	2.284	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)nc1	ZINC000292178634	552701826	/nfs/dbraw/zinc/70/18/26/552701826.db2.gz	MHMUDOMNORZUOF-IRXDYDNUSA-N	1	1	354.366	2.048	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)C2=O)cc1	ZINC000292248581	552708754	/nfs/dbraw/zinc/70/87/54/552708754.db2.gz	QSCXRFSIGBAQHZ-RBUKOAKNSA-N	1	1	373.416	2.084	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)C2=O)cc1	ZINC000292248581	552708756	/nfs/dbraw/zinc/70/87/56/552708756.db2.gz	QSCXRFSIGBAQHZ-RBUKOAKNSA-N	1	1	373.416	2.084	20	30		FEEDMO
Cc1c(-c2cc(C[N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)on2)cnn1C	ZINC000292383134	552721666	/nfs/dbraw/zinc/72/16/66/552721666.db2.gz	ZGXQZOIQURLCBB-HNNXBMFYSA-N	1	1	364.409	2.304	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000292432462	552726214	/nfs/dbraw/zinc/72/62/14/552726214.db2.gz	WEZIAUWSSIVJRH-JZXOWHBKSA-N	1	1	373.497	2.265	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000292432462	552726216	/nfs/dbraw/zinc/72/62/16/552726216.db2.gz	WEZIAUWSSIVJRH-JZXOWHBKSA-N	1	1	373.497	2.265	20	30		FEEDMO
COC(=O)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[nH]1	ZINC000292691757	552749950	/nfs/dbraw/zinc/74/99/50/552749950.db2.gz	JKXDYHOCXSRDRN-UHFFFAOYSA-N	1	1	366.421	2.021	20	30		FEEDMO
COC(=O)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[nH]1	ZINC000292691757	552749951	/nfs/dbraw/zinc/74/99/51/552749951.db2.gz	JKXDYHOCXSRDRN-UHFFFAOYSA-N	1	1	366.421	2.021	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@H](C)C1	ZINC000292839252	552763633	/nfs/dbraw/zinc/76/36/33/552763633.db2.gz	VOUBALNFMMGKFW-UZLBHIALSA-N	1	1	372.513	2.491	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+](CC)C[C@H](O)COc1ccc(CCOC)cc1	ZINC000292916187	552770861	/nfs/dbraw/zinc/77/08/61/552770861.db2.gz	HTWOMLAVGRYYBL-OALUTQOASA-N	1	1	351.487	2.264	20	30		FEEDMO
C=CCC(F)(F)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000293030996	552782364	/nfs/dbraw/zinc/78/23/64/552782364.db2.gz	IXTYOQYVFMKQRZ-UHFFFAOYSA-N	1	1	353.413	2.344	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000293094389	552788210	/nfs/dbraw/zinc/78/82/10/552788210.db2.gz	PRRBMCHHRPFBIV-KRWDZBQOSA-N	1	1	360.845	2.449	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000293094389	552788211	/nfs/dbraw/zinc/78/82/11/552788211.db2.gz	PRRBMCHHRPFBIV-KRWDZBQOSA-N	1	1	360.845	2.449	20	30		FEEDMO
C=CCOCC[N@@H+](C[C@H](O)COc1ccc(NC(C)=O)cc1)C(C)C	ZINC000293114874	552790181	/nfs/dbraw/zinc/79/01/81/552790181.db2.gz	OUFSHAYBJZXFBE-SFHVURJKSA-N	1	1	350.459	2.298	20	30		FEEDMO
CCC[C@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CC[N@@H+]1CCOC	ZINC000501606534	561601924	/nfs/dbraw/zinc/60/19/24/561601924.db2.gz	XHRIEQNVPWOGDQ-AWEZNQCLSA-N	1	1	350.850	2.180	20	30		FEEDMO
CCC[C@H]1CN(C(=O)c2ncc(C#N)cc2Cl)CC[N@H+]1CCOC	ZINC000501606534	561601925	/nfs/dbraw/zinc/60/19/25/561601925.db2.gz	XHRIEQNVPWOGDQ-AWEZNQCLSA-N	1	1	350.850	2.180	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccnc1-c1ccc(C)s1	ZINC000293425052	552822369	/nfs/dbraw/zinc/82/23/69/552822369.db2.gz	QHYAKSAZVGNBOF-UHFFFAOYSA-N	1	1	370.478	2.128	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000293604430	552839580	/nfs/dbraw/zinc/83/95/80/552839580.db2.gz	DEIUYZTVKSTKKA-HNNXBMFYSA-N	1	1	357.454	2.278	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc1OC	ZINC000293717549	552849987	/nfs/dbraw/zinc/84/99/87/552849987.db2.gz	SXHIYANXBBRCRX-QGZVFWFLSA-N	1	1	358.442	2.181	20	30		FEEDMO
C[NH+](C)[C@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000293824071	552859673	/nfs/dbraw/zinc/85/96/73/552859673.db2.gz	VHZQYQVAZLLOTK-HKUYNNGSSA-N	1	1	350.422	2.236	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl	ZINC000294055234	552878422	/nfs/dbraw/zinc/87/84/22/552878422.db2.gz	UPKUSJYDRLOPII-UHFFFAOYSA-N	1	1	350.850	2.118	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000294169335	552887318	/nfs/dbraw/zinc/88/73/18/552887318.db2.gz	JBRVRPQVOARLBB-AWEZNQCLSA-N	1	1	353.463	2.191	20	30		FEEDMO
CSc1ccc([C@@H](CNS(=O)(=O)CC2(C#N)CC2)[NH+](C)C)cc1	ZINC000294301821	552895181	/nfs/dbraw/zinc/89/51/81/552895181.db2.gz	WZQQKRUGDPAENX-OAHLLOKOSA-N	1	1	353.513	2.234	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)[N@H+]1CCC[C@@H](C)C1	ZINC000294338685	552898130	/nfs/dbraw/zinc/89/81/30/552898130.db2.gz	JRMVCEVEORUYQX-KGLIPLIRSA-N	1	1	353.463	2.237	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2	ZINC000295133286	552962156	/nfs/dbraw/zinc/96/21/56/552962156.db2.gz	LHKGWPKEMRIQMG-IEBWSBKVSA-N	1	1	372.513	2.205	20	30		FEEDMO
CCn1cc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1	ZINC000296237886	553127855	/nfs/dbraw/zinc/12/78/55/553127855.db2.gz	WWPBEERCTHZHHI-AWEZNQCLSA-N	1	1	363.425	2.250	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1	ZINC000296280263	553134302	/nfs/dbraw/zinc/13/43/02/553134302.db2.gz	BRLGDINQRDHRCX-AWEZNQCLSA-N	1	1	371.441	2.061	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000296932347	553231522	/nfs/dbraw/zinc/23/15/22/553231522.db2.gz	GLLWVSDYWBPCCX-YQQQUEKLSA-N	1	1	356.470	2.341	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)N(C)CCCn1cc[nH+]c1C	ZINC000298275514	553406785	/nfs/dbraw/zinc/40/67/85/553406785.db2.gz	NPLPVXNPQPSQAW-UHFFFAOYSA-N	1	1	354.454	2.255	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)c1	ZINC000298395410	553420309	/nfs/dbraw/zinc/42/03/09/553420309.db2.gz	FQTLAVAPLMBNOR-UHFFFAOYSA-N	1	1	369.490	2.426	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000298654556	553454706	/nfs/dbraw/zinc/45/47/06/553454706.db2.gz	CRWKTQIVEKXFFZ-MJGOQNOKSA-N	1	1	357.502	2.166	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000298654556	553454707	/nfs/dbraw/zinc/45/47/07/553454707.db2.gz	CRWKTQIVEKXFFZ-MJGOQNOKSA-N	1	1	357.502	2.166	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1	ZINC000298654556	553454708	/nfs/dbraw/zinc/45/47/08/553454708.db2.gz	CRWKTQIVEKXFFZ-MJGOQNOKSA-N	1	1	357.502	2.166	20	30		FEEDMO
Cc1n[nH]cc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000298697355	553459926	/nfs/dbraw/zinc/45/99/26/553459926.db2.gz	QUJNHABOWOVOBC-UHFFFAOYSA-N	1	1	352.442	2.007	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1	ZINC000299238627	553535357	/nfs/dbraw/zinc/53/53/57/553535357.db2.gz	UAJLGJLNKOUDTK-GOSISDBHSA-N	1	1	366.421	2.261	20	30		FEEDMO
CCC(CC)[C@H](CNC(=O)N1CCC(C)(C#N)CC1)[NH+]1CCOCC1	ZINC000503983609	561651354	/nfs/dbraw/zinc/65/13/54/561651354.db2.gz	CBTYNQDQWXKHRF-KRWDZBQOSA-N	1	1	350.507	2.459	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000299347901	553551503	/nfs/dbraw/zinc/55/15/03/553551503.db2.gz	GWYJREFZJUAUFI-HXUWFJFHSA-N	1	1	374.504	2.243	20	30		FEEDMO
C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000299390687	553556910	/nfs/dbraw/zinc/55/69/10/553556910.db2.gz	UPSHCFHSFZCELH-YLJYHZDGSA-N	1	1	371.481	2.177	20	30		FEEDMO
C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000299390687	553556911	/nfs/dbraw/zinc/55/69/11/553556911.db2.gz	UPSHCFHSFZCELH-YLJYHZDGSA-N	1	1	371.481	2.177	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCCCNc2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000301388731	553647880	/nfs/dbraw/zinc/64/78/80/553647880.db2.gz	YRFVGOZTGZYNBD-CQSZACIVSA-N	1	1	350.488	2.130	20	30		FEEDMO
N#Cc1ccc2nc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)ccc2c1	ZINC000301810788	553681786	/nfs/dbraw/zinc/68/17/86/553681786.db2.gz	GVHFCWFOJOINBP-UHFFFAOYSA-N	1	1	363.465	2.241	20	30		FEEDMO
CCC(CC)[C@@H](CNC(=O)Cc1c(F)cccc1C#N)[NH+]1CCOCC1	ZINC000505345320	561669873	/nfs/dbraw/zinc/66/98/73/561669873.db2.gz	SIBGVEBCCXVWEZ-LJQANCHMSA-N	1	1	361.461	2.493	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000312626595	553756455	/nfs/dbraw/zinc/75/64/55/553756455.db2.gz	IDVSWESSAIDIGI-SFTDATJTSA-N	1	1	365.477	2.410	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21	ZINC000328616505	553796954	/nfs/dbraw/zinc/79/69/54/553796954.db2.gz	SOFYBJOAIMOYOW-BRWVUGGUSA-N	1	1	371.547	2.207	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCOC2(CCC2)C1	ZINC000328701732	553809400	/nfs/dbraw/zinc/80/94/00/553809400.db2.gz	JJFJMOWBRGKRSY-MRXNPFEDSA-N	1	1	353.507	2.292	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC(=O)NC34CCC4)CC2)c1	ZINC000328711550	553810726	/nfs/dbraw/zinc/81/07/26/553810726.db2.gz	BDVFJKFLKUIUGE-HNNXBMFYSA-N	1	1	357.458	2.468	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O)Nc1nc2c(s1)CCC2	ZINC000328835698	553830156	/nfs/dbraw/zinc/83/01/56/553830156.db2.gz	SJJHTLLDIKOBCE-IACUBPJLSA-N	1	1	351.472	2.082	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O)Nc1nc2c(s1)CCC2	ZINC000328835698	553830157	/nfs/dbraw/zinc/83/01/57/553830157.db2.gz	SJJHTLLDIKOBCE-IACUBPJLSA-N	1	1	351.472	2.082	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)C1	ZINC000328860013	553834528	/nfs/dbraw/zinc/83/45/28/553834528.db2.gz	VDHYSOSWCCCWDX-HNNXBMFYSA-N	1	1	361.442	2.236	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@H]1C	ZINC000328936593	553848346	/nfs/dbraw/zinc/84/83/46/553848346.db2.gz	CQRSBSJTRSPHKR-SJORKVTESA-N	1	1	359.518	2.375	20	30		FEEDMO
CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCN(Cc3ccncc3)CC2)C[C@H]1C	ZINC000328936593	553848348	/nfs/dbraw/zinc/84/83/48/553848348.db2.gz	CQRSBSJTRSPHKR-SJORKVTESA-N	1	1	359.518	2.375	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000329024038	553866464	/nfs/dbraw/zinc/86/64/64/553866464.db2.gz	URLGBEDCGFAVKJ-IAGOWNOFSA-N	1	1	372.513	2.404	20	30		FEEDMO
CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000329033853	553868456	/nfs/dbraw/zinc/86/84/56/553868456.db2.gz	MEGZVTRBWHJFBN-CVYDXHPNSA-N	1	1	361.490	2.424	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[C@H]1Cn1cc(C2CC2)nn1	ZINC000329037392	553869068	/nfs/dbraw/zinc/86/90/68/553869068.db2.gz	NGRHFYOPKFGROX-LZLYRXPVSA-N	1	1	358.490	2.161	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@H]1Cn1cc(C2CC2)nn1	ZINC000329037392	553869071	/nfs/dbraw/zinc/86/90/71/553869071.db2.gz	NGRHFYOPKFGROX-LZLYRXPVSA-N	1	1	358.490	2.161	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[C@H]1Cn1cc(C2CC2)nn1	ZINC000329037392	553869073	/nfs/dbraw/zinc/86/90/73/553869073.db2.gz	NGRHFYOPKFGROX-LZLYRXPVSA-N	1	1	358.490	2.161	20	30		FEEDMO
C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O)[N@H+]1CCC[C@@H](C)C1	ZINC000329036993	553869090	/nfs/dbraw/zinc/86/90/90/553869090.db2.gz	NDWPWGYFDFAHMT-BFMVXSJESA-N	1	1	367.534	2.273	20	30		FEEDMO
O=C(C[N@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)NC[C@@H]1CCCO1	ZINC000329046409	553870921	/nfs/dbraw/zinc/87/09/21/553870921.db2.gz	JPERJBFHHOSNMU-WMZOPIPTSA-N	1	1	352.862	2.455	20	30		FEEDMO
O=C(C[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)NC[C@@H]1CCCO1	ZINC000329046409	553870923	/nfs/dbraw/zinc/87/09/23/553870923.db2.gz	JPERJBFHHOSNMU-WMZOPIPTSA-N	1	1	352.862	2.455	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@]2(C)O)C1	ZINC000329084656	553877456	/nfs/dbraw/zinc/87/74/56/553877456.db2.gz	TXBGTVQEVRAJDY-BMFAXAFESA-N	1	1	353.507	2.027	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc3ccn(C)c(=O)c3c2)C1	ZINC000329090523	553878694	/nfs/dbraw/zinc/87/86/94/553878694.db2.gz	WNXSLKJWAVARBF-QGZVFWFLSA-N	1	1	372.469	2.221	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C(C)(C)C)CC2)o1	ZINC000329111927	553882586	/nfs/dbraw/zinc/88/25/86/553882586.db2.gz	RDDOPQRTFKDAGB-INIZCTEOSA-N	1	1	359.474	2.014	20	30		FEEDMO
CN1CCOC[C@H]1C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000329131676	553886407	/nfs/dbraw/zinc/88/64/07/553886407.db2.gz	OXKZILDVQOPEHC-WBVHZDCISA-N	1	1	360.458	2.352	20	30		FEEDMO
C[NH+]1CCN([C@H](C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c2ccccc2)CC1	ZINC000329134866	553886873	/nfs/dbraw/zinc/88/68/73/553886873.db2.gz	ZWMSRGBYOZWCQN-DYXWJJEUSA-N	1	1	373.497	2.270	20	30		FEEDMO
Cc1nn(C)c(C)c1NC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000329138939	553887224	/nfs/dbraw/zinc/88/72/24/553887224.db2.gz	IORDYOMCYUGNJE-GASCZTMLSA-N	1	1	362.522	2.073	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000506208680	561693272	/nfs/dbraw/zinc/69/32/72/561693272.db2.gz	IUGCDQZFIJFYIT-KXBFYZLASA-N	1	1	351.491	2.485	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O	ZINC000329143914	553888372	/nfs/dbraw/zinc/88/83/72/553888372.db2.gz	VWKLXFWMSXKCOX-QTVCLEQKSA-N	1	1	367.534	2.273	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC000329190909	553898812	/nfs/dbraw/zinc/89/88/12/553898812.db2.gz	RZJKXHINWOPMPM-NXHRZFHOSA-N	1	1	362.518	2.393	20	30		FEEDMO
CCC1CCC([N@@H+](C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000329203793	553901654	/nfs/dbraw/zinc/90/16/54/553901654.db2.gz	XJSOUWUBFHOXHQ-UHFFFAOYSA-N	1	1	373.501	2.404	20	30		FEEDMO
CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1=O	ZINC000329205661	553902172	/nfs/dbraw/zinc/90/21/72/553902172.db2.gz	XWUJVLJFJFXQMZ-DJIMGWMZSA-N	1	1	357.454	2.247	20	30		FEEDMO
C[C@H](C(=O)N[C@H]1CC(=O)N(c2ccccc2Cl)C1)N1CC[NH+](C)CC1	ZINC000329217482	553904746	/nfs/dbraw/zinc/90/47/46/553904746.db2.gz	QEZILXYQJMLVLD-KGLIPLIRSA-N	1	1	364.877	2.038	20	30		FEEDMO
C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ncccc1F	ZINC000329222834	553905900	/nfs/dbraw/zinc/90/59/00/553905900.db2.gz	XAJAEBLUFAHKLD-AVOUXACISA-N	1	1	362.449	2.364	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000329227678	553906481	/nfs/dbraw/zinc/90/64/81/553906481.db2.gz	IFHCHNJOZMLMSB-IKGGRYGDSA-N	1	1	351.491	2.235	20	30		FEEDMO
CN(C(=O)CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)C1CCCCC1	ZINC000329262551	553913652	/nfs/dbraw/zinc/91/36/52/553913652.db2.gz	DFMPZDKAPBVRPZ-NVXWUHKLSA-N	1	1	350.507	2.108	20	30		FEEDMO
CN(C(=O)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1	ZINC000329283491	553917288	/nfs/dbraw/zinc/91/72/88/553917288.db2.gz	NKTPRGXIWWYATH-ZXFUBFMLSA-N	1	1	350.507	2.296	20	30		FEEDMO
CC(C)[N@H+]1CCCN(C(=O)N[C@@H](c2nccn2C)C2CCOCC2)CC1	ZINC000329336622	553927471	/nfs/dbraw/zinc/92/74/71/553927471.db2.gz	LWORZLRRPMXUQQ-QGZVFWFLSA-N	1	1	363.506	2.218	20	30		FEEDMO
O=C(NCc1ccc2c(c1)OCO2)N1CCCC[C@@H]1C[NH+]1CCOCC1	ZINC000329356777	553931706	/nfs/dbraw/zinc/93/17/06/553931706.db2.gz	HBHWKKDFFGLEDE-MRXNPFEDSA-N	1	1	361.442	2.016	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000506703286	561706453	/nfs/dbraw/zinc/70/64/53/561706453.db2.gz	RXSXFXXBCXRGDS-UZLBHIALSA-N	1	1	363.502	2.438	20	30		FEEDMO
C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC(C)(C)O1	ZINC000329483620	553954977	/nfs/dbraw/zinc/95/49/77/553954977.db2.gz	QGBUOCOFTGUYPL-HLLBOEOZSA-N	1	1	363.506	2.216	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1)C2	ZINC000329595916	553973533	/nfs/dbraw/zinc/97/35/33/553973533.db2.gz	VPZLGEDUEORDLO-RYUDHWBXSA-N	1	1	358.364	2.121	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)N3CCOCC4(CCC4)C3)CC2)nc(C)[nH+]1	ZINC000329599160	553974211	/nfs/dbraw/zinc/97/42/11/553974211.db2.gz	WQBKMEYEHDEZCT-UHFFFAOYSA-N	1	1	373.501	2.479	20	30		FEEDMO
C[C@@H]1[C@H](C)[S@@](=O)CCN1C([O-])=[NH+][C@@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000329653696	553982875	/nfs/dbraw/zinc/98/28/75/553982875.db2.gz	DXCHLMGYAVXPDE-NDNZESCASA-N	1	1	366.531	2.251	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CC[N@@H+]1C	ZINC000329669034	553984971	/nfs/dbraw/zinc/98/49/71/553984971.db2.gz	MCUOKZPMHILBIU-CVEARBPZSA-N	1	1	374.485	2.258	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@H]2CCCCS2)CC1	ZINC000329686341	553988789	/nfs/dbraw/zinc/98/87/89/553988789.db2.gz	AGWTUMIOFHGMPO-MRXNPFEDSA-N	1	1	370.563	2.062	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@H]2CCCCS2)CC1	ZINC000329686341	553988791	/nfs/dbraw/zinc/98/87/91/553988791.db2.gz	AGWTUMIOFHGMPO-MRXNPFEDSA-N	1	1	370.563	2.062	20	30		FEEDMO
CC[C@@H]1CN(C(=O)CCNC(=O)C2CCCCC2)C[C@@H]1[NH+]1CCOCC1	ZINC000329721029	553995228	/nfs/dbraw/zinc/99/52/28/553995228.db2.gz	DUUWEJKPZJLGOR-AEFFLSMTSA-N	1	1	365.518	2.483	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1	ZINC000329758190	554001193	/nfs/dbraw/zinc/00/11/93/554001193.db2.gz	ZVLMWEYXEZFJDL-CALCHBBNSA-N	1	1	372.513	2.404	20	30		FEEDMO
CCc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1	ZINC000329824010	554013138	/nfs/dbraw/zinc/01/31/38/554013138.db2.gz	ZTVHAOZYVQKTFE-QFBILLFUSA-N	1	1	372.513	2.404	20	30		FEEDMO
CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000329894602	554026269	/nfs/dbraw/zinc/02/62/69/554026269.db2.gz	KAMVDBHBQRNTEL-RDTXWAMCSA-N	1	1	351.491	2.233	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C	ZINC000329918230	554031449	/nfs/dbraw/zinc/03/14/49/554031449.db2.gz	ZRYDIMLODUMUPF-IIDMSEBBSA-N	1	1	361.490	2.079	20	30		FEEDMO
O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@H]1COCC(=O)N1Cc1ccccc1	ZINC000329934830	554035086	/nfs/dbraw/zinc/03/50/86/554035086.db2.gz	CDYUUEYHPMVKLN-RTBURBONSA-N	1	1	371.481	2.387	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1	ZINC000329946563	554036612	/nfs/dbraw/zinc/03/66/12/554036612.db2.gz	GNASSQSRDCMQGZ-APWZRJJASA-N	1	1	353.507	2.435	20	30		FEEDMO
CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000507361921	561726353	/nfs/dbraw/zinc/72/63/53/561726353.db2.gz	SHSCUTNFPUDMPN-RZQQEMMASA-N	1	1	364.534	2.302	20	30		FEEDMO
CN(Cc1ccccc1NC(=O)[C@H]1CCCN1C)C(=O)[C@@H]1CCC[N@H+]1C	ZINC000329959219	554039355	/nfs/dbraw/zinc/03/93/55/554039355.db2.gz	QMKDHWJGLHBBRT-MSOLQXFVSA-N	1	1	358.486	2.421	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C1	ZINC000329986412	554044421	/nfs/dbraw/zinc/04/44/21/554044421.db2.gz	FFZCGEKOHIFNST-VQIMIIECSA-N	1	1	353.507	2.291	20	30		FEEDMO
CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1	ZINC000329992550	554045738	/nfs/dbraw/zinc/04/57/38/554045738.db2.gz	XOZYQEQXUHRGAT-AYOQOUSVSA-N	1	1	358.486	2.021	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCCc2c1cnn2C	ZINC000330000499	554047462	/nfs/dbraw/zinc/04/74/62/554047462.db2.gz	WMSJEDTUBNLODD-AWEZNQCLSA-N	1	1	353.430	2.338	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C	ZINC000330016515	554050222	/nfs/dbraw/zinc/05/02/22/554050222.db2.gz	PQXXUMDISHLPJE-GXTWGEPZSA-N	1	1	372.473	2.317	20	30		FEEDMO
O=C(C[NH+]1CCC(O[C@H]2CCOC2)CC1)NC(=O)NC1CCCCC1	ZINC000330071557	554058856	/nfs/dbraw/zinc/05/88/56/554058856.db2.gz	IZZHRVOPXZMRSX-INIZCTEOSA-N	1	1	353.463	2.460	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1	ZINC000330146945	554073724	/nfs/dbraw/zinc/07/37/24/554073724.db2.gz	TUPORCMLFGFGOO-CHWSQXEVSA-N	1	1	357.414	2.432	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](c2nnc[nH]2)C1	ZINC000330146945	554073726	/nfs/dbraw/zinc/07/37/26/554073726.db2.gz	TUPORCMLFGFGOO-CHWSQXEVSA-N	1	1	357.414	2.432	20	30		FEEDMO
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000330167122	554077426	/nfs/dbraw/zinc/07/74/26/554077426.db2.gz	YPYNUCQRNXDTEU-FJIDUMEYSA-N	1	1	364.534	2.354	20	30		FEEDMO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cn1	ZINC000330183547	554080229	/nfs/dbraw/zinc/08/02/29/554080229.db2.gz	QBMLXKHRQCZDOW-NUJGCVRESA-N	1	1	374.489	2.147	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000330186099	554080681	/nfs/dbraw/zinc/08/06/81/554080681.db2.gz	JNWGWLNSENMIAM-HNNXBMFYSA-N	1	1	367.453	2.293	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F	ZINC000330197202	554082878	/nfs/dbraw/zinc/08/28/78/554082878.db2.gz	RMHXLHQKCCDXFB-KSSFIOAISA-N	1	1	363.458	2.335	20	30		FEEDMO
O=C(Nc1cccc(C(=O)N2CCC(O)CC2)c1)[C@@H]1CCC[N@@H+]1C1CC1	ZINC000330209839	554085707	/nfs/dbraw/zinc/08/57/07/554085707.db2.gz	BZNMBVCUJZTHAW-SFHVURJKSA-N	1	1	357.454	2.498	20	30		FEEDMO
O=C(Nc1cccc(C(=O)N2CCC(O)CC2)c1)[C@@H]1CCC[N@H+]1C1CC1	ZINC000330209839	554085710	/nfs/dbraw/zinc/08/57/10/554085710.db2.gz	BZNMBVCUJZTHAW-SFHVURJKSA-N	1	1	357.454	2.498	20	30		FEEDMO
CC1(C)CCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000330218312	554087605	/nfs/dbraw/zinc/08/76/05/554087605.db2.gz	JFJRUWARFBQORO-CVEARBPZSA-N	1	1	351.491	2.235	20	30		FEEDMO
Cc1nnsc1CNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000330272412	554097015	/nfs/dbraw/zinc/09/70/15/554097015.db2.gz	XPWOGRZFOIBZBO-BETUJISGSA-N	1	1	367.519	2.082	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	ZINC000330272567	554097078	/nfs/dbraw/zinc/09/70/78/554097078.db2.gz	XSLLWWGGBYJVJL-HPBDAGMYSA-N	1	1	351.491	2.043	20	30		FEEDMO
CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@H](C)C[NH+]1CCOCC1	ZINC000330277491	554098544	/nfs/dbraw/zinc/09/85/44/554098544.db2.gz	OITUUZPNLMXATF-IRXDYDNUSA-N	1	1	363.506	2.312	20	30		FEEDMO
C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1	ZINC000330375331	554113068	/nfs/dbraw/zinc/11/30/68/554113068.db2.gz	NROXGVNIBILWTK-DLBZAZTESA-N	1	1	370.563	2.299	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000330385918	554114285	/nfs/dbraw/zinc/11/42/85/554114285.db2.gz	LSLXXITWTRUDBM-FGTMMUONSA-N	1	1	370.563	2.299	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(Br)s2)C1	ZINC000330844037	554178413	/nfs/dbraw/zinc/17/84/13/554178413.db2.gz	OEKSEYPQBGXOBO-SNVBAGLBSA-N	1	1	362.293	2.235	20	30		FEEDMO
CO[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)c1ccc(Cl)cc1	ZINC000330844534	554178514	/nfs/dbraw/zinc/17/85/14/554178514.db2.gz	LANGLXQCUNRLJP-JKIFEVAISA-N	1	1	369.893	2.328	20	30		FEEDMO
COCCOc1cc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)ccc1OC	ZINC000330867730	554180898	/nfs/dbraw/zinc/18/08/98/554180898.db2.gz	ABCBDKFKRRUFIB-UONOGXRCSA-N	1	1	351.447	2.290	20	30		FEEDMO
CN(C)c1c(Cl)cccc1NC(=O)N1CCC([N@@H+](C)CCO)CC1	ZINC000330877438	554181736	/nfs/dbraw/zinc/18/17/36/554181736.db2.gz	WOOIDYOKKDCZCA-UHFFFAOYSA-N	1	1	354.882	2.340	20	30		FEEDMO
CC(=O)Nc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc(C(F)(F)F)c1	ZINC000330995624	554199117	/nfs/dbraw/zinc/19/91/17/554199117.db2.gz	UKNWXFUUIGBUGP-OAHLLOKOSA-N	1	1	372.391	2.214	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C1	ZINC000331181306	554227058	/nfs/dbraw/zinc/22/70/58/554227058.db2.gz	XCJUQMHFIXCGIF-CVEARBPZSA-N	1	1	373.563	2.168	20	30		FEEDMO
CC(C)C[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CCO1	ZINC000331218312	554232514	/nfs/dbraw/zinc/23/25/14/554232514.db2.gz	HHKSLJMOLUIQFA-BRWVUGGUSA-N	1	1	355.523	2.271	20	30		FEEDMO
COCC[N@@H+]1CCN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@H]1C	ZINC000331233530	554234036	/nfs/dbraw/zinc/23/40/36/554234036.db2.gz	CAZLSVSVKVYMCL-OAHLLOKOSA-N	1	1	359.474	2.117	20	30		FEEDMO
COCC[N@H+]1CCN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@H]1C	ZINC000331233530	554234037	/nfs/dbraw/zinc/23/40/37/554234037.db2.gz	CAZLSVSVKVYMCL-OAHLLOKOSA-N	1	1	359.474	2.117	20	30		FEEDMO
CO[C@H](C)c1nc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cs1	ZINC000331235615	554234561	/nfs/dbraw/zinc/23/45/61/554234561.db2.gz	SVOBWEAJHUNPNN-QWHCGFSZSA-N	1	1	370.519	2.042	20	30		FEEDMO
CC(=O)Nc1ccc(F)c(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1	ZINC000331295490	554242952	/nfs/dbraw/zinc/24/29/52/554242952.db2.gz	NKEAOJPQNBTOIR-GFCCVEGCSA-N	1	1	366.437	2.107	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000508984460	561780267	/nfs/dbraw/zinc/78/02/67/561780267.db2.gz	FNEWXHQEXIXCMK-HNNXBMFYSA-N	1	1	359.474	2.044	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@H]3C)C2)n1	ZINC000331582386	554289051	/nfs/dbraw/zinc/28/90/51/554289051.db2.gz	JFMZRHKKIAQTFV-AYOQOUSVSA-N	1	1	369.513	2.323	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)CN2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000509504246	561802549	/nfs/dbraw/zinc/80/25/49/561802549.db2.gz	RLOYZOPDUYCZIF-DLBZAZTESA-N	1	1	358.486	2.356	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000509504252	561802859	/nfs/dbraw/zinc/80/28/59/561802859.db2.gz	RLOYZOPDUYCZIF-IAGOWNOFSA-N	1	1	358.486	2.356	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2C)CC1	ZINC000332649082	554490393	/nfs/dbraw/zinc/49/03/93/554490393.db2.gz	HWQNUXZWVAKTLX-DOTOQJQBSA-N	1	1	360.527	2.360	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2C)CC1	ZINC000332649082	554490394	/nfs/dbraw/zinc/49/03/94/554490394.db2.gz	HWQNUXZWVAKTLX-DOTOQJQBSA-N	1	1	360.527	2.360	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)C2)n1	ZINC000333055685	554565680	/nfs/dbraw/zinc/56/56/80/554565680.db2.gz	MDUYQCQIKWDSIK-BPQIPLTHSA-N	1	1	367.497	2.220	20	30		FEEDMO
Cc1ccc(CNC(=O)N=c2ccn(CCC#N)[nH]2)c(N2CCCC2)[nH+]1	ZINC000611596896	554651723	/nfs/dbraw/zinc/65/17/23/554651723.db2.gz	IITWVWGEAOPBNM-UHFFFAOYSA-N	1	1	353.430	2.422	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000531282426	562440541	/nfs/dbraw/zinc/44/05/41/562440541.db2.gz	DCNNZQYCCQDDRQ-OAHLLOKOSA-N	1	1	351.447	2.050	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000511909694	561884914	/nfs/dbraw/zinc/88/49/14/561884914.db2.gz	KDYNTQSLPPGPBT-KRWDZBQOSA-N	1	1	373.476	2.403	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C	ZINC000363418147	555100578	/nfs/dbraw/zinc/10/05/78/555100578.db2.gz	MVIXZKQAVXEZDU-KCITZHQASA-N	1	1	371.481	2.331	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccnc3[nH]ccc32)CC1	ZINC000363665990	555159419	/nfs/dbraw/zinc/15/94/19/555159419.db2.gz	QWNXLGOEZVVNOW-CYBMUJFWSA-N	1	1	353.426	2.052	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccnc3[nH]ccc32)CC1	ZINC000363665990	555159422	/nfs/dbraw/zinc/15/94/22/555159422.db2.gz	QWNXLGOEZVVNOW-CYBMUJFWSA-N	1	1	353.426	2.052	20	30		FEEDMO
COC(=O)[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1cccc(C#N)c1	ZINC000363707157	555168783	/nfs/dbraw/zinc/16/87/83/555168783.db2.gz	PSTIWXUNFLYMIH-KCUHQSDYSA-N	1	1	371.481	2.251	20	30		FEEDMO
N#Cc1cc(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)ccc1N1CCC(O)CC1	ZINC000364090483	555247697	/nfs/dbraw/zinc/24/76/97/555247697.db2.gz	NIKYQEYHOJGAOZ-FUHWJXTLSA-N	1	1	368.481	2.332	20	30		FEEDMO
Cc1c(C(=O)N[C@](C)(C#N)C(C)C)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000364168746	555262336	/nfs/dbraw/zinc/26/23/36/555262336.db2.gz	RMLPCZKOCUOPGR-HXUWFJFHSA-N	1	1	366.469	2.232	20	30		FEEDMO
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cccnc1C#N	ZINC000364349372	555296382	/nfs/dbraw/zinc/29/63/82/555296382.db2.gz	BKMUUOBRTKSZFH-CRAIPNDOSA-N	1	1	368.462	2.258	20	30		FEEDMO
C=CCN(C(=O)COCc1nc(C)no1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364579261	555343898	/nfs/dbraw/zinc/34/38/98/555343898.db2.gz	VKHCBVDDWWUVSA-GOSISDBHSA-N	1	1	370.453	2.184	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](C[C@H](O)CCc2ccccc2)C[C@]12C(=O)Nc1ccccc12	ZINC000364944405	555446085	/nfs/dbraw/zinc/44/60/85/555446085.db2.gz	OATPWRNTDIMFIX-HMFYCAOWSA-N	1	1	361.445	2.326	20	30		FEEDMO
N#C[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)C[C@]12C(=O)Nc1ccccc12	ZINC000364944405	555446086	/nfs/dbraw/zinc/44/60/86/555446086.db2.gz	OATPWRNTDIMFIX-HMFYCAOWSA-N	1	1	361.445	2.326	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000365393209	555562033	/nfs/dbraw/zinc/56/20/33/555562033.db2.gz	JGRMVEBWTFKBLD-ZOCIIQOWSA-N	1	1	354.454	2.361	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000365393205	555562603	/nfs/dbraw/zinc/56/26/03/555562603.db2.gz	JGRMVEBWTFKBLD-MDASCCDHSA-N	1	1	354.454	2.361	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3nc[nH]n3)CC2)c(OC)c1	ZINC000365922043	555701707	/nfs/dbraw/zinc/70/17/07/555701707.db2.gz	XBZIIGDSVAYKBI-KRWDZBQOSA-N	1	1	372.469	2.161	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC#Cc1cccc(F)c1	ZINC000513945671	561956199	/nfs/dbraw/zinc/95/61/99/561956199.db2.gz	BGNUNKLYQBZYAD-UHFFFAOYSA-N	1	1	351.385	2.143	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(C#N)c1C	ZINC000367018825	555999073	/nfs/dbraw/zinc/99/90/73/555999073.db2.gz	CTTROXJFMLDDBB-ZFWWWQNUSA-N	1	1	360.483	2.166	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(C#N)c1C	ZINC000367018825	555999074	/nfs/dbraw/zinc/99/90/74/555999074.db2.gz	CTTROXJFMLDDBB-ZFWWWQNUSA-N	1	1	360.483	2.166	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc(S(N)(=O)=O)ccc1C#N	ZINC000367326533	556019093	/nfs/dbraw/zinc/01/90/93/556019093.db2.gz	KPSBTXHNCWAILF-AUUYWEPGSA-N	1	1	370.478	2.138	20	30		FEEDMO
C=C[C@](C)(CCOC)c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1	ZINC000514689805	561974307	/nfs/dbraw/zinc/97/43/07/561974307.db2.gz	AWHMOJSQNVQWNQ-LJQANCHMSA-N	1	1	357.458	2.364	20	30		FEEDMO
C=CCOc1ccc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1OC	ZINC000367472561	556059641	/nfs/dbraw/zinc/05/96/41/556059641.db2.gz	OXUBJFPQCUFPQB-IBGZPJMESA-N	1	1	359.514	2.472	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCC(C)(C)C#N)C[C@@H]2[C@H]1c1ccccc1	ZINC000367708599	556120208	/nfs/dbraw/zinc/12/02/08/556120208.db2.gz	VFRYSNKGNLUDBW-FGTMMUONSA-N	1	1	361.511	2.491	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)C2)c(F)c1	ZINC000367721690	556123140	/nfs/dbraw/zinc/12/31/40/556123140.db2.gz	RFPRSFIPAOOIEP-DLBZAZTESA-N	1	1	356.445	2.220	20	30		FEEDMO
C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1	ZINC000368417477	556302898	/nfs/dbraw/zinc/30/28/98/556302898.db2.gz	SHMGIPAJOXIXEV-NSISKUIASA-N	1	1	370.497	2.366	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1)C1(C#N)CCCCC1	ZINC000368603353	556359150	/nfs/dbraw/zinc/35/91/50/556359150.db2.gz	QSIFLBQNGPLQNJ-HXUWFJFHSA-N	1	1	359.445	2.404	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1)C1(C#N)CCCCC1	ZINC000368603353	556359158	/nfs/dbraw/zinc/35/91/58/556359158.db2.gz	QSIFLBQNGPLQNJ-HXUWFJFHSA-N	1	1	359.445	2.404	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1	ZINC000368611048	556361628	/nfs/dbraw/zinc/36/16/28/556361628.db2.gz	FGEBFKVTLGPJHJ-SFHVURJKSA-N	1	1	355.463	2.292	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1	ZINC000368611048	556361629	/nfs/dbraw/zinc/36/16/29/556361629.db2.gz	FGEBFKVTLGPJHJ-SFHVURJKSA-N	1	1	355.463	2.292	20	30		FEEDMO
CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000368669280	556380049	/nfs/dbraw/zinc/38/00/49/556380049.db2.gz	ODHDQIKBESKVHU-OALUTQOASA-N	1	1	368.481	2.040	20	30		FEEDMO
CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000515423053	562010120	/nfs/dbraw/zinc/01/01/20/562010120.db2.gz	ZQFGUNTWIDQNOB-INIZCTEOSA-N	1	1	372.469	2.227	20	30		FEEDMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000515423053	562010121	/nfs/dbraw/zinc/01/01/21/562010121.db2.gz	ZQFGUNTWIDQNOB-INIZCTEOSA-N	1	1	372.469	2.227	20	30		FEEDMO
N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1	ZINC000368884088	556438552	/nfs/dbraw/zinc/43/85/52/556438552.db2.gz	NYZDTHWUPSVLOY-ROUUACIJSA-N	1	1	353.470	2.017	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000515694925	562019689	/nfs/dbraw/zinc/01/96/89/562019689.db2.gz	OSVYAWKEPTWLOD-LJQANCHMSA-N	1	1	370.497	2.143	20	30		FEEDMO
CCCCCCCS(=O)(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1	ZINC000369105880	556506698	/nfs/dbraw/zinc/50/66/98/556506698.db2.gz	BRWHBDSJFGDXSH-MSOLQXFVSA-N	1	1	359.580	2.244	20	30		FEEDMO
Cc1c(C(=O)N(C)C2(C#N)CCC2)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000369118548	556509501	/nfs/dbraw/zinc/50/95/01/556509501.db2.gz	SSEAHTJMYUFBAH-UHFFFAOYSA-N	1	1	364.453	2.082	20	30		FEEDMO
Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369389759	556588050	/nfs/dbraw/zinc/58/80/50/556588050.db2.gz	SFNYMZLDZITYPX-CYBMUJFWSA-N	1	1	356.405	2.261	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C	ZINC000516306736	562039169	/nfs/dbraw/zinc/03/91/69/562039169.db2.gz	UNLCNXZCOITINF-CABCVRRESA-N	1	1	372.469	2.275	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000516252634	562037540	/nfs/dbraw/zinc/03/75/40/562037540.db2.gz	JOYAYTZWFWGNHV-FYQPLNBISA-N	1	1	358.482	2.109	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000369808854	556701331	/nfs/dbraw/zinc/70/13/31/556701331.db2.gz	NWDGJOZHCJFTSF-AEFFLSMTSA-N	1	1	356.470	2.072	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000369808854	556701333	/nfs/dbraw/zinc/70/13/33/556701333.db2.gz	NWDGJOZHCJFTSF-AEFFLSMTSA-N	1	1	356.470	2.072	20	30		FEEDMO
COCCC[N@H+]1CCCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000369903826	556725774	/nfs/dbraw/zinc/72/57/74/556725774.db2.gz	CIZGFMZEZDHIRN-UHFFFAOYSA-N	1	1	364.877	2.194	20	30		FEEDMO
CCS[C@@H]1CC[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000516599259	562049986	/nfs/dbraw/zinc/04/99/86/562049986.db2.gz	ZBCOXIPBCXPWMJ-HUUCEWRRSA-N	1	1	353.513	2.333	20	30		FEEDMO
CCS[C@@H]1CC[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000516599259	562049987	/nfs/dbraw/zinc/04/99/87/562049987.db2.gz	ZBCOXIPBCXPWMJ-HUUCEWRRSA-N	1	1	353.513	2.333	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4c([nH]3)CCOC4)CC2)cc1	ZINC000516851441	562060430	/nfs/dbraw/zinc/06/04/30/562060430.db2.gz	FKSVGXDQMGVDDW-UHFFFAOYSA-N	1	1	364.449	2.307	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc4c([nH]3)CCOC4)CC2)cc1	ZINC000516851441	562060431	/nfs/dbraw/zinc/06/04/31/562060431.db2.gz	FKSVGXDQMGVDDW-UHFFFAOYSA-N	1	1	364.449	2.307	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)Nc3cccnc3)CC2)c1	ZINC000370590226	556916113	/nfs/dbraw/zinc/91/61/13/556916113.db2.gz	SXTBZLITNMCLBD-UHFFFAOYSA-N	1	1	363.421	2.242	20	30		FEEDMO
Cc1nnc([C@H]2CC23CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC3)o1	ZINC000370815662	556976880	/nfs/dbraw/zinc/97/68/80/556976880.db2.gz	FWBWZVDQBJHXHB-QGZVFWFLSA-N	1	1	365.437	2.136	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000370902844	557009068	/nfs/dbraw/zinc/00/90/68/557009068.db2.gz	CWSZZJATTQGEGE-OALUTQOASA-N	1	1	366.465	2.140	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000370902844	557009071	/nfs/dbraw/zinc/00/90/71/557009071.db2.gz	CWSZZJATTQGEGE-OALUTQOASA-N	1	1	366.465	2.140	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)Nc2ccccc2)CC1	ZINC000371248653	557119072	/nfs/dbraw/zinc/11/90/72/557119072.db2.gz	DLUZBEMBVIIVMQ-MRXNPFEDSA-N	1	1	356.470	2.000	20	30		FEEDMO
CN(Cc1cccc(C#N)c1)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1	ZINC000371497328	557200127	/nfs/dbraw/zinc/20/01/27/557200127.db2.gz	OQSQEXDAGQVZEL-UHFFFAOYSA-N	1	1	351.454	2.255	20	30		FEEDMO
CN(Cc1cccc(C#N)c1)C(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1	ZINC000371497328	557200129	/nfs/dbraw/zinc/20/01/29/557200129.db2.gz	OQSQEXDAGQVZEL-UHFFFAOYSA-N	1	1	351.454	2.255	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000518060059	562103479	/nfs/dbraw/zinc/10/34/79/562103479.db2.gz	LQKISTNFOFYOAT-LIRRHRJNSA-N	1	1	353.422	2.479	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000518060059	562103480	/nfs/dbraw/zinc/10/34/80/562103480.db2.gz	LQKISTNFOFYOAT-LIRRHRJNSA-N	1	1	353.422	2.479	20	30		FEEDMO
CC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)N(C)[C@H](C)CC#N)c2C)C1	ZINC000371585152	557230225	/nfs/dbraw/zinc/23/02/25/557230225.db2.gz	GUIWXWUSVLCOPL-CQSZACIVSA-N	1	1	366.469	2.328	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000371843064	557309631	/nfs/dbraw/zinc/30/96/31/557309631.db2.gz	QEAJOLMTPRYMFF-WMZOPIPTSA-N	1	1	357.502	2.325	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1	ZINC000518366212	562109643	/nfs/dbraw/zinc/10/96/43/562109643.db2.gz	QMFKEIWHIANWFJ-KRWDZBQOSA-N	1	1	357.454	2.421	20	30		FEEDMO
CC(C)n1cc(C[N@@H+]2CCCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)cn1	ZINC000371933283	557332467	/nfs/dbraw/zinc/33/24/67/557332467.db2.gz	HVWJNFKRUYNDIO-UHFFFAOYSA-N	1	1	369.429	2.351	20	30		FEEDMO
CC(C)n1cc(C[N@H+]2CCCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)cn1	ZINC000371933283	557332468	/nfs/dbraw/zinc/33/24/68/557332468.db2.gz	HVWJNFKRUYNDIO-UHFFFAOYSA-N	1	1	369.429	2.351	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O	ZINC000372353808	557448252	/nfs/dbraw/zinc/44/82/52/557448252.db2.gz	AMFMPQXLFMHPEX-LHSJRXKWSA-N	1	1	360.417	2.481	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O	ZINC000372353808	557448258	/nfs/dbraw/zinc/44/82/58/557448258.db2.gz	AMFMPQXLFMHPEX-LHSJRXKWSA-N	1	1	360.417	2.481	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C	ZINC000372478310	557480900	/nfs/dbraw/zinc/48/09/00/557480900.db2.gz	QBXIMHMMHYDTLH-CADBVGFASA-N	1	1	351.535	2.279	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C	ZINC000372478310	557480902	/nfs/dbraw/zinc/48/09/02/557480902.db2.gz	QBXIMHMMHYDTLH-CADBVGFASA-N	1	1	351.535	2.279	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@]2(CCOC2)C1	ZINC000519522210	562133072	/nfs/dbraw/zinc/13/30/72/562133072.db2.gz	HZQCROUIJGBMAX-FQEVSTJZSA-N	1	1	365.437	2.185	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@]2(CCOC2)C1	ZINC000519522210	562133073	/nfs/dbraw/zinc/13/30/73/562133073.db2.gz	HZQCROUIJGBMAX-FQEVSTJZSA-N	1	1	365.437	2.185	20	30		FEEDMO
C=CCN(C(=O)c1ccn(CCOC)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372612541	557521077	/nfs/dbraw/zinc/52/10/77/557521077.db2.gz	VJGNNNPZXAAJHF-IBGZPJMESA-N	1	1	368.481	2.432	20	30		FEEDMO
CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1	ZINC000372612070	557521224	/nfs/dbraw/zinc/52/12/24/557521224.db2.gz	JUEUFWGSHBRLLW-INIZCTEOSA-N	1	1	367.453	2.242	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1	ZINC000372653764	557530414	/nfs/dbraw/zinc/53/04/14/557530414.db2.gz	FTTFAKWSMRSVNF-LZQZEXGQSA-N	1	1	356.470	2.247	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1	ZINC000372761800	557556834	/nfs/dbraw/zinc/55/68/34/557556834.db2.gz	OTEDYZZPOLBNFN-APWZRJJASA-N	1	1	351.454	2.413	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@]2(C1)CCCN(C)C2=O	ZINC000372901551	557585013	/nfs/dbraw/zinc/58/50/13/557585013.db2.gz	GCVMCSDAZAALRY-YJYMSZOUSA-N	1	1	374.872	2.483	20	30		FEEDMO
COc1ccc(C[C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)cc1	ZINC000373076221	557622889	/nfs/dbraw/zinc/62/28/89/557622889.db2.gz	JNXLTFVUBGHIGA-SFHVURJKSA-N	1	1	354.454	2.358	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1I	ZINC000519833271	562145894	/nfs/dbraw/zinc/14/58/94/562145894.db2.gz	CMMQKPOKZWZXFL-GFCCVEGCSA-N	1	1	374.222	2.243	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(n3cnc(C#N)n3)CC2)C1	ZINC000373450665	557696161	/nfs/dbraw/zinc/69/61/61/557696161.db2.gz	AGUFYWLBLKFYLX-MRXNPFEDSA-N	1	1	373.505	2.008	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(COC)(C(=O)OCC)CC1	ZINC000373804583	557762880	/nfs/dbraw/zinc/76/28/80/557762880.db2.gz	JQCDUBBXADNXCC-MRXNPFEDSA-N	1	1	354.491	2.091	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000520595361	562159796	/nfs/dbraw/zinc/15/97/96/562159796.db2.gz	WYLPVDHSWDFHHA-FRQCXROJSA-N	1	1	350.507	2.058	20	30		FEEDMO
C=CCN(C[C@H](O)CO[C@H](C)COC)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000373910585	557785129	/nfs/dbraw/zinc/78/51/29/557785129.db2.gz	ZYUMZEGANJVHJY-GIVPXCGWSA-N	1	1	362.514	2.161	20	30		FEEDMO
C=CC[N@@H+](C[C@H](O)CO[C@H](C)COC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000373910585	557785132	/nfs/dbraw/zinc/78/51/32/557785132.db2.gz	ZYUMZEGANJVHJY-GIVPXCGWSA-N	1	1	362.514	2.161	20	30		FEEDMO
C=CC[N@H+](C[C@H](O)CO[C@H](C)COC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000373910585	557785134	/nfs/dbraw/zinc/78/51/34/557785134.db2.gz	ZYUMZEGANJVHJY-GIVPXCGWSA-N	1	1	362.514	2.161	20	30		FEEDMO
CN1CCC2(CC[NH+](CC(=O)Nc3ccccc3SCC#N)CC2)C1=O	ZINC000373913705	557785801	/nfs/dbraw/zinc/78/58/01/557785801.db2.gz	ZHTRGTXBJVIEMA-UHFFFAOYSA-N	1	1	372.494	2.185	20	30		FEEDMO
CC[C@@H]1CN(C(=O)/C=C/c2ccc(OCC#N)cc2)C[C@H]1[NH+]1CCOCC1	ZINC000374162886	557834804	/nfs/dbraw/zinc/83/48/04/557834804.db2.gz	RVDPQKWUZCXEDS-QEMYPZFLSA-N	1	1	369.465	2.171	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(C)=O	ZINC000374175769	557837730	/nfs/dbraw/zinc/83/77/30/557837730.db2.gz	PHZQHISQGMRVHW-QZTJIDSGSA-N	1	1	357.454	2.421	20	30		FEEDMO
COC(=O)[C@@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C)C(C)C	ZINC000520896028	562165776	/nfs/dbraw/zinc/16/57/76/562165776.db2.gz	DBBJAIHSSGHPRO-IBGZPJMESA-N	1	1	359.470	2.330	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1	ZINC000374403778	557879562	/nfs/dbraw/zinc/87/95/62/557879562.db2.gz	VSGUJEAWLGSAOE-CVEARBPZSA-N	1	1	365.437	2.041	20	30		FEEDMO
COc1ccc([C@H](O)[C@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)cc1	ZINC000374418868	557881480	/nfs/dbraw/zinc/88/14/80/557881480.db2.gz	FSSGGFBAYYXXLA-YZGWKJHDSA-N	1	1	357.454	2.001	20	30		FEEDMO
COc1ccc([C@H](O)[C@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)cc1	ZINC000374418868	557881481	/nfs/dbraw/zinc/88/14/81/557881481.db2.gz	FSSGGFBAYYXXLA-YZGWKJHDSA-N	1	1	357.454	2.001	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CCCC2(C#N)CCOCC2)O1	ZINC000374558632	557899595	/nfs/dbraw/zinc/89/95/95/557899595.db2.gz	ALJCHRJERMCZSR-VQHPVUNQSA-N	1	1	350.459	2.270	20	30		FEEDMO
COCc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)no1	ZINC000374896714	557947371	/nfs/dbraw/zinc/94/73/71/557947371.db2.gz	QVKAGDURGHUEEY-UHFFFAOYSA-N	1	1	354.410	2.109	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1	ZINC000375011634	557963628	/nfs/dbraw/zinc/96/36/28/557963628.db2.gz	GRXNBRXNEAPFFZ-ZWKOTPCHSA-N	1	1	362.495	2.471	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1	ZINC000375011634	557963630	/nfs/dbraw/zinc/96/36/30/557963630.db2.gz	GRXNBRXNEAPFFZ-ZWKOTPCHSA-N	1	1	362.495	2.471	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1	ZINC000375011633	557963660	/nfs/dbraw/zinc/96/36/60/557963660.db2.gz	GRXNBRXNEAPFFZ-ROUUACIJSA-N	1	1	362.495	2.471	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1	ZINC000375011633	557963662	/nfs/dbraw/zinc/96/36/62/557963662.db2.gz	GRXNBRXNEAPFFZ-ROUUACIJSA-N	1	1	362.495	2.471	20	30		FEEDMO
COCC[C@@H]1CCCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000375107229	557978974	/nfs/dbraw/zinc/97/89/74/557978974.db2.gz	ZQCHNTNXKJYALN-INIZCTEOSA-N	1	1	350.484	2.471	20	30		FEEDMO
COCC[C@@H]1CCCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000375107229	557978976	/nfs/dbraw/zinc/97/89/76/557978976.db2.gz	ZQCHNTNXKJYALN-INIZCTEOSA-N	1	1	350.484	2.471	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O	ZINC000375311970	558007421	/nfs/dbraw/zinc/00/74/21/558007421.db2.gz	ZGPLNJXCBFTNQD-QKKBWIMNSA-N	1	1	360.417	2.481	20	30		FEEDMO
CC(C)N1CC[NH+](CCCN2CCO[C@@H](c3cccc(C#N)c3)C2)CC1	ZINC000375600201	558054882	/nfs/dbraw/zinc/05/48/82/558054882.db2.gz	SMLKFCKMOPHWIW-OAQYLSRUSA-N	1	1	356.514	2.348	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1	ZINC000376546807	558188459	/nfs/dbraw/zinc/18/84/59/558188459.db2.gz	FJOBPBZCDQLNPC-JOCHJYFZSA-N	1	1	368.525	2.219	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C	ZINC000376583442	558193843	/nfs/dbraw/zinc/19/38/43/558193843.db2.gz	HKECCHORHGHFGB-ALOPSCKCSA-N	1	1	369.469	2.072	20	30		FEEDMO
CCCCN(C)C(=O)C1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000521814867	562183973	/nfs/dbraw/zinc/18/39/73/562183973.db2.gz	PDHCLMKPHCJFGF-UHFFFAOYSA-N	1	1	370.497	2.145	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1	ZINC000376730320	558214105	/nfs/dbraw/zinc/21/41/05/558214105.db2.gz	WXKDPNNLUTXEFQ-ACRUOGEOSA-N	1	1	373.460	2.445	20	30		FEEDMO
C=CC[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1	ZINC000376906459	558237307	/nfs/dbraw/zinc/23/73/07/558237307.db2.gz	FMSKFNZJIINZIY-RTBURBONSA-N	1	1	355.482	2.287	20	30		FEEDMO
C#CCC(CC#C)C(=O)N(C)[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000376982286	558247689	/nfs/dbraw/zinc/24/76/89/558247689.db2.gz	ZJVGEVKSMXOCKG-WIYYLYMNSA-N	1	1	352.478	2.397	20	30		FEEDMO
C#CCC(CC#C)C(=O)N(C)[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000376982286	558247691	/nfs/dbraw/zinc/24/76/91/558247691.db2.gz	ZJVGEVKSMXOCKG-WIYYLYMNSA-N	1	1	352.478	2.397	20	30		FEEDMO
C=CCN(C(=O)NCC[C@H]1CCC(=O)N1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000377265183	558301779	/nfs/dbraw/zinc/30/17/79/558301779.db2.gz	LVCOKKRBOJPTTM-MOPGFXCFSA-N	1	1	370.497	2.127	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000377498398	558351928	/nfs/dbraw/zinc/35/19/28/558351928.db2.gz	XBLFOIURGORHHD-SZMVWBNQSA-N	1	1	354.454	2.052	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21)c1ccccc1	ZINC000377498398	558351929	/nfs/dbraw/zinc/35/19/29/558351929.db2.gz	XBLFOIURGORHHD-SZMVWBNQSA-N	1	1	354.454	2.052	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1	ZINC000377630868	558381041	/nfs/dbraw/zinc/38/10/41/558381041.db2.gz	UEQKHMKMFFUYSW-NRFANRHFSA-N	1	1	369.557	2.496	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](CN3CCN(C)CC3)C2)cc1	ZINC000377630868	558381044	/nfs/dbraw/zinc/38/10/44/558381044.db2.gz	UEQKHMKMFFUYSW-NRFANRHFSA-N	1	1	369.557	2.496	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](CN3CCN(C)CC3)C2)cc1	ZINC000377630868	558381048	/nfs/dbraw/zinc/38/10/48/558381048.db2.gz	UEQKHMKMFFUYSW-NRFANRHFSA-N	1	1	369.557	2.496	20	30		FEEDMO
C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)CCC(C)(C)C#N)CC1	ZINC000377857252	558436467	/nfs/dbraw/zinc/43/64/67/558436467.db2.gz	RNLBLXLLNUEVSA-OAHLLOKOSA-N	1	1	364.515	2.466	20	30		FEEDMO
CC[NH+]1CCN(C(=O)NCC2CCN(c3ccccc3C#N)CC2)CC1	ZINC000377903630	558445162	/nfs/dbraw/zinc/44/51/62/558445162.db2.gz	QDOUYZCXFJEREA-UHFFFAOYSA-N	1	1	355.486	2.122	20	30		FEEDMO
CCc1nc(CN2C[C@@H]3C[N@H+](CC#Cc4ccc(F)cc4)C[C@@H]3C2)no1	ZINC000378221212	558505437	/nfs/dbraw/zinc/50/54/37/558505437.db2.gz	WWVXQXZDDKKMSF-CALCHBBNSA-N	1	1	354.429	2.186	20	30		FEEDMO
CCc1nc(CN2C[C@@H]3C[N@H+](Cc4ccc(C#N)cc4OC)C[C@@H]3C2)no1	ZINC000378363944	558539927	/nfs/dbraw/zinc/53/99/27/558539927.db2.gz	ZIAHOSHTVNLLEP-CALCHBBNSA-N	1	1	367.453	2.076	20	30		FEEDMO
C[C@@H]1CN(Cc2cn3ccccc3c2C#N)CC[N@@H+]1C1CCN(C)CC1	ZINC000378369068	558541194	/nfs/dbraw/zinc/54/11/94/558541194.db2.gz	JPFGCWIJZXCSQN-QGZVFWFLSA-N	1	1	351.498	2.411	20	30		FEEDMO
C[C@@H]1CN(Cc2cn3ccccc3c2C#N)CC[N@H+]1C1CCN(C)CC1	ZINC000378369068	558541196	/nfs/dbraw/zinc/54/11/96/558541196.db2.gz	JPFGCWIJZXCSQN-QGZVFWFLSA-N	1	1	351.498	2.411	20	30		FEEDMO
N#CC1(NC(=O)c2ncncc2Cl)CC[NH+](Cc2ccccc2)CC1	ZINC000378484773	558567192	/nfs/dbraw/zinc/56/71/92/558567192.db2.gz	WWWDDABXPIOQRI-UHFFFAOYSA-N	1	1	355.829	2.418	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000385138164	558606211	/nfs/dbraw/zinc/60/62/11/558606211.db2.gz	WFMCDIRSMXZJFK-SFHVURJKSA-N	1	1	355.463	2.420	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000385138164	558606212	/nfs/dbraw/zinc/60/62/12/558606212.db2.gz	WFMCDIRSMXZJFK-SFHVURJKSA-N	1	1	355.463	2.420	20	30		FEEDMO
C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000392357353	558617167	/nfs/dbraw/zinc/61/71/67/558617167.db2.gz	NZYISSHGGAGKKN-DOTOQJQBSA-N	1	1	350.484	2.347	20	30		FEEDMO
C[C@H](O)C[C@H]1CCCCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000392357353	558617169	/nfs/dbraw/zinc/61/71/69/558617169.db2.gz	NZYISSHGGAGKKN-DOTOQJQBSA-N	1	1	350.484	2.347	20	30		FEEDMO
CC1CC(C#N)(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1	ZINC000404191792	558631333	/nfs/dbraw/zinc/63/13/33/558631333.db2.gz	NRTRXGYHQNUTBW-CXHBIVLNSA-N	1	1	353.466	2.428	20	30		FEEDMO
CCc1nc(C#N)cc(N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)n1	ZINC000404181506	558631462	/nfs/dbraw/zinc/63/14/62/558631462.db2.gz	JKULFTSNIDOYRU-OALUTQOASA-N	1	1	363.465	2.390	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@@H]1C	ZINC000408332647	558667549	/nfs/dbraw/zinc/66/75/49/558667549.db2.gz	YCZVEBPKQIWDAK-HOTGVXAUSA-N	1	1	367.497	2.375	20	30		FEEDMO
C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000410127021	558740355	/nfs/dbraw/zinc/74/03/55/558740355.db2.gz	HPVULHOEQGWJBV-LLVKDONJSA-N	1	1	361.389	2.292	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000410127021	558740357	/nfs/dbraw/zinc/74/03/57/558740357.db2.gz	HPVULHOEQGWJBV-LLVKDONJSA-N	1	1	361.389	2.292	20	30		FEEDMO
CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000410143661	558741880	/nfs/dbraw/zinc/74/18/80/558741880.db2.gz	RTLUPUXTHSLNGW-CYBMUJFWSA-N	1	1	373.400	2.434	20	30		FEEDMO
CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000410143661	558741881	/nfs/dbraw/zinc/74/18/81/558741881.db2.gz	RTLUPUXTHSLNGW-CYBMUJFWSA-N	1	1	373.400	2.434	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1	ZINC000410160307	558742785	/nfs/dbraw/zinc/74/27/85/558742785.db2.gz	YDYYHLDSQFUSNC-SJORKVTESA-N	1	1	366.531	2.213	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1	ZINC000410815876	558813649	/nfs/dbraw/zinc/81/36/49/558813649.db2.gz	UOSVBHUUQVOQSM-MOPGFXCFSA-N	1	1	355.482	2.001	20	30		FEEDMO
C[N@@H+](CCc1cccc(NC(=O)C(=O)NCC(C)(C)CC#N)c1)C1CC1	ZINC000411648502	558935739	/nfs/dbraw/zinc/93/57/39/558935739.db2.gz	OQRHCOUDANSZON-UHFFFAOYSA-N	1	1	356.470	2.318	20	30		FEEDMO
C[NH+](C)Cc1cc(NC(=O)C(=O)NCC(C)(C)CC#N)ccc1Cl	ZINC000411650159	558935954	/nfs/dbraw/zinc/93/59/54/558935954.db2.gz	QRDARLFEDHHCCJ-UHFFFAOYSA-N	1	1	350.850	2.396	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)N1CC[NH+](C)CC1	ZINC000412145296	559016934	/nfs/dbraw/zinc/01/69/34/559016934.db2.gz	INXUGSHWFXHZKJ-XUVXKRRUSA-N	1	1	354.498	2.050	20	30		FEEDMO
COCC(COC)[NH+]1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000413473147	559110482	/nfs/dbraw/zinc/11/04/82/559110482.db2.gz	LNHHLMBFCOGDHN-UHFFFAOYSA-N	1	1	357.376	2.360	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000413836904	559133868	/nfs/dbraw/zinc/13/38/68/559133868.db2.gz	PYPRYAGMRMZXSS-UYAOXDASSA-N	1	1	358.530	2.499	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000527048445	562274557	/nfs/dbraw/zinc/27/45/57/562274557.db2.gz	SRFDRPDFHKGIBF-SJORKVTESA-N	1	1	368.481	2.079	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c(C#N)cc1N(C)C	ZINC000417158773	559350535	/nfs/dbraw/zinc/35/05/35/559350535.db2.gz	OBXLVACCVZQZRG-CRAIPNDOSA-N	1	1	371.485	2.260	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)cc1	ZINC000418612976	559407846	/nfs/dbraw/zinc/40/78/46/559407846.db2.gz	FIRIMJZCRLURNG-FQEVSTJZSA-N	1	1	369.513	2.293	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1ccc(C#N)cc1Br	ZINC000419346355	559438892	/nfs/dbraw/zinc/43/88/92/559438892.db2.gz	VBPUCYGUXWZXPK-CHWSQXEVSA-N	1	1	352.276	2.208	20	30		FEEDMO
C=CCC[C@H]1NC(=O)N(C[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1=O	ZINC000419938782	559465637	/nfs/dbraw/zinc/46/56/37/559465637.db2.gz	QGGPHKFJIGCYSD-IAGOWNOFSA-N	1	1	359.495	2.491	20	30		FEEDMO
N#Cc1cncc(NCCCCN2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000420579439	559492683	/nfs/dbraw/zinc/49/26/83/559492683.db2.gz	AXBUKDFXISWYFN-UHFFFAOYSA-N	1	1	350.470	2.358	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H](C)C[C@H](CO)C2)cc1	ZINC000420936139	559512403	/nfs/dbraw/zinc/51/24/03/559512403.db2.gz	KKXKJPJTRALOHB-IRXDYDNUSA-N	1	1	359.470	2.282	20	30		FEEDMO
CNC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1	ZINC000420980496	559516827	/nfs/dbraw/zinc/51/68/27/559516827.db2.gz	USMIHXKBWHNSJS-STQMWFEESA-N	1	1	374.510	2.141	20	30		FEEDMO
C[NH+]1CCN([C@H](C(=O)NCc2ccc(C#N)s2)c2ccccc2)CC1	ZINC000421603245	559546083	/nfs/dbraw/zinc/54/60/83/559546083.db2.gz	VBTRQTRVRNPXHP-SFHVURJKSA-N	1	1	354.479	2.225	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1	ZINC000422485535	559591240	/nfs/dbraw/zinc/59/12/40/559591240.db2.gz	DGVUNFBNTHEDKN-SFHVURJKSA-N	1	1	370.497	2.143	20	30		FEEDMO
C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1	ZINC000422489665	559591567	/nfs/dbraw/zinc/59/15/67/559591567.db2.gz	PXWZVCLKKIRGKN-QGZVFWFLSA-N	1	1	370.497	2.165	20	30		FEEDMO
C=CCc1ccc(OCC(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)c(OC)c1	ZINC000423961803	559648168	/nfs/dbraw/zinc/64/81/68/559648168.db2.gz	FAGGOQXGAODZJP-GOSISDBHSA-N	1	1	367.449	2.371	20	30		FEEDMO
C=CCCn1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC[N@@H+]2CC)nn1	ZINC000424665172	559673036	/nfs/dbraw/zinc/67/30/36/559673036.db2.gz	NFYBHAQLFHDQSG-SFHVURJKSA-N	1	1	368.485	2.376	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)c2)CCO1	ZINC000425415891	559701188	/nfs/dbraw/zinc/70/11/88/559701188.db2.gz	FZPRLSPTGSHFAZ-JTDSTZFVSA-N	1	1	356.470	2.399	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)c2)CCO1	ZINC000425415891	559701189	/nfs/dbraw/zinc/70/11/89/559701189.db2.gz	FZPRLSPTGSHFAZ-JTDSTZFVSA-N	1	1	356.470	2.399	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000425484511	559704841	/nfs/dbraw/zinc/70/48/41/559704841.db2.gz	JBZVUMRKCPMYBS-SJLPKXTDSA-N	1	1	368.485	2.174	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425504377	559706443	/nfs/dbraw/zinc/70/64/43/559706443.db2.gz	WAUSCIAATJUHHX-YZGWKJHDSA-N	1	1	354.498	2.201	20	30		FEEDMO
C[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1)C(=O)N1CCCCC1	ZINC000425529174	559707844	/nfs/dbraw/zinc/70/78/44/559707844.db2.gz	AUGWEBUWIFDMOW-HOTGVXAUSA-N	1	1	356.470	2.068	20	30		FEEDMO
C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)C(=O)N1CCCCC1	ZINC000425529174	559707845	/nfs/dbraw/zinc/70/78/45/559707845.db2.gz	AUGWEBUWIFDMOW-HOTGVXAUSA-N	1	1	356.470	2.068	20	30		FEEDMO
COC(=O)c1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1	ZINC000425532714	559708330	/nfs/dbraw/zinc/70/83/30/559708330.db2.gz	JURZWMFKNFYIQT-ZDUSSCGKSA-N	1	1	352.394	2.371	20	30		FEEDMO
COC(=O)c1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1	ZINC000425532714	559708331	/nfs/dbraw/zinc/70/83/31/559708331.db2.gz	JURZWMFKNFYIQT-ZDUSSCGKSA-N	1	1	352.394	2.371	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N1CCN(Cc2ccco2)CC1	ZINC000425539642	559708558	/nfs/dbraw/zinc/70/85/58/559708558.db2.gz	UDNKISVWGWLQPD-KRWDZBQOSA-N	1	1	366.465	2.488	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CCN(Cc2ccco2)CC1	ZINC000425539642	559708559	/nfs/dbraw/zinc/70/85/59/559708559.db2.gz	UDNKISVWGWLQPD-KRWDZBQOSA-N	1	1	366.465	2.488	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000425886983	559724103	/nfs/dbraw/zinc/72/41/03/559724103.db2.gz	QXKKRNVASYVPGB-QAPCUYQASA-N	1	1	368.481	2.211	20	30		FEEDMO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCC[C@H]1O	ZINC000426209187	559731501	/nfs/dbraw/zinc/73/15/01/559731501.db2.gz	HPUORSPZRVQXGB-IAGOWNOFSA-N	1	1	368.399	2.408	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cc1C#N	ZINC000427789477	559762628	/nfs/dbraw/zinc/76/26/28/559762628.db2.gz	OBESYCHBEJDQJQ-QGZVFWFLSA-N	1	1	368.462	2.435	20	30		FEEDMO
C(#CC[N@H+]1CCOC[C@@H](C2CCC2)C1)CN1CCOC[C@@H](C2CCC2)C1	ZINC000429028240	559789212	/nfs/dbraw/zinc/78/92/12/559789212.db2.gz	MAUFHYXMWGEYMN-VXKWHMMOSA-N	1	1	360.542	2.487	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1	ZINC000429699834	559804288	/nfs/dbraw/zinc/80/42/88/559804288.db2.gz	GZDOXIRQXNPMIJ-UHFFFAOYSA-N	1	1	360.458	2.292	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)Cc1nnc2n1c1ccccc1c(=O)n2CC	ZINC000429727202	559804569	/nfs/dbraw/zinc/80/45/69/559804569.db2.gz	UTRDAZRQDIXNRL-UHFFFAOYSA-N	1	1	368.485	2.004	20	30		FEEDMO
C[C@@H]1CC[C@H]([N@@H+](CCO)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000429773992	559805415	/nfs/dbraw/zinc/80/54/15/559805415.db2.gz	SAFLQQHEOBJAPG-QAPCUYQASA-N	1	1	367.453	2.165	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000430310089	559817559	/nfs/dbraw/zinc/81/75/59/559817559.db2.gz	YHFQVRPBBJHKCX-LLGFUMIMSA-N	1	1	370.497	2.414	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(OCCC[NH3+])CC1	ZINC000430556871	559822373	/nfs/dbraw/zinc/82/23/73/559822373.db2.gz	RJBZBXNPMQGPNE-MRXNPFEDSA-N	1	1	365.543	2.481	20	30		FEEDMO
C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000435159888	559917555	/nfs/dbraw/zinc/91/75/55/559917555.db2.gz	XTRLLLRHONKQAE-LLVKDONJSA-N	1	1	361.389	2.292	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000435159888	559917556	/nfs/dbraw/zinc/91/75/56/559917556.db2.gz	XTRLLLRHONKQAE-LLVKDONJSA-N	1	1	361.389	2.292	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000437625563	559967020	/nfs/dbraw/zinc/96/70/20/559967020.db2.gz	PDGWBLNKLCLEKB-WOJBJXKFSA-N	1	1	373.497	2.299	20	30		FEEDMO
C[C@@H](C#N)CN(C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)C1CC1	ZINC000440031047	560003455	/nfs/dbraw/zinc/00/34/55/560003455.db2.gz	UBBQSLHJEWDTPH-LBPRGKRZSA-N	1	1	362.861	2.491	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440501760	560012642	/nfs/dbraw/zinc/01/26/42/560012642.db2.gz	FSCLUZUVNIZYJK-FQEVSTJZSA-N	1	1	359.470	2.463	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440501760	560012643	/nfs/dbraw/zinc/01/26/43/560012643.db2.gz	FSCLUZUVNIZYJK-FQEVSTJZSA-N	1	1	359.470	2.463	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)NCC1CCC(C#N)CC1)[NH+]1CCOCC1	ZINC000440996576	560021330	/nfs/dbraw/zinc/02/13/30/560021330.db2.gz	HDMPRPMTDGHCJR-ABHNRTSZSA-N	1	1	350.507	2.362	20	30		FEEDMO
C=CCN(C(=O)NC[C@H]1CCC[N@H+]1C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000441326325	560028702	/nfs/dbraw/zinc/02/87/02/560028702.db2.gz	FADDOBQEZXORQS-MAUKXSAKSA-N	1	1	369.473	2.015	20	30		FEEDMO
C[C@@H](c1ccc(-c2ccc(C#N)cc2CO)cc1)N1CC[NH+](CCO)CC1	ZINC000527587320	562296574	/nfs/dbraw/zinc/29/65/74/562296574.db2.gz	JOCVDVKHEFSHJK-KRWDZBQOSA-N	1	1	365.477	2.388	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)C1(C#N)CCCCC1	ZINC000444727357	560119012	/nfs/dbraw/zinc/11/90/12/560119012.db2.gz	DNCMVZDHZXCCTO-UKRRQHHQSA-N	1	1	361.408	2.306	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)C1(C#N)CCCCC1	ZINC000444727357	560119013	/nfs/dbraw/zinc/11/90/13/560119013.db2.gz	DNCMVZDHZXCCTO-UKRRQHHQSA-N	1	1	361.408	2.306	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1	ZINC000444732877	560119317	/nfs/dbraw/zinc/11/93/17/560119317.db2.gz	WVTZJYZIJPKDCG-HZSPNIEDSA-N	1	1	361.408	2.353	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1	ZINC000444732877	560119318	/nfs/dbraw/zinc/11/93/18/560119318.db2.gz	WVTZJYZIJPKDCG-HZSPNIEDSA-N	1	1	361.408	2.353	20	30		FEEDMO
C=CC[C@@H]1[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CCCC1(C)C	ZINC000444775799	560120515	/nfs/dbraw/zinc/12/05/15/560120515.db2.gz	OBLZUQMWSHBQPE-INIZCTEOSA-N	1	1	365.499	2.339	20	30		FEEDMO
C[C@H]1[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCC[N@H+]1C	ZINC000446629703	560148808	/nfs/dbraw/zinc/14/88/08/560148808.db2.gz	VXXUCUGMCMINHH-IWCVFHTOSA-N	1	1	371.485	2.425	20	30		FEEDMO
CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000447425330	560162208	/nfs/dbraw/zinc/16/22/08/560162208.db2.gz	CIXYZHBMTLSQDO-UHFFFAOYSA-N	1	1	362.861	2.388	20	30		FEEDMO
N#Cc1cccc(-c2cc(C(=O)NCCCC[N@@H+]3CCC[C@@H]3CO)on2)c1	ZINC000447552545	560164307	/nfs/dbraw/zinc/16/43/07/560164307.db2.gz	NZPSBOVLUUJKAT-QGZVFWFLSA-N	1	1	368.437	2.180	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C	ZINC000448326048	560184801	/nfs/dbraw/zinc/18/48/01/560184801.db2.gz	VWAXGDULSMWTCK-KRWDZBQOSA-N	1	1	372.469	2.132	20	30		FEEDMO
CC[N@H+]1CC[C@@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000449792286	560240224	/nfs/dbraw/zinc/24/02/24/560240224.db2.gz	WFRIBRXCWPKODI-LBPRGKRZSA-N	1	1	366.259	2.158	20	30		FEEDMO
N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000449803960	560240606	/nfs/dbraw/zinc/24/06/06/560240606.db2.gz	LHAWNEDZTMAVMD-NSHDSACASA-N	1	1	364.243	2.052	20	30		FEEDMO
CCCNC(=O)C[NH+]1CCC(Nc2nc3ccccc3c(C)c2C#N)CC1	ZINC000450255048	560255851	/nfs/dbraw/zinc/25/58/51/560255851.db2.gz	AGSOFZAGHWLJPM-UHFFFAOYSA-N	1	1	365.481	2.817	20	30		FEEDMO
N#CCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1	ZINC000451044472	560284418	/nfs/dbraw/zinc/28/44/18/560284418.db2.gz	PZNNEIUFMJTHQP-ZDUSSCGKSA-N	1	1	353.875	2.169	20	30		FEEDMO
N#CCC1(CS(=O)(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1	ZINC000451168357	560290941	/nfs/dbraw/zinc/29/09/41/560290941.db2.gz	VRHNCSGAKRHGPV-GOSISDBHSA-N	1	1	361.511	2.164	20	30		FEEDMO
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000451266467	560297209	/nfs/dbraw/zinc/29/72/09/560297209.db2.gz	PAXDACUMRMDFCE-SFHVURJKSA-N	1	1	365.474	2.381	20	30		FEEDMO
CC(C)(CC#N)CS(=O)(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000451304488	560299132	/nfs/dbraw/zinc/29/91/32/560299132.db2.gz	SZPYOTRWDSDDDI-UHFFFAOYSA-N	1	1	371.547	2.128	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@H](C)C1	ZINC000451678783	560321508	/nfs/dbraw/zinc/32/15/08/560321508.db2.gz	NRBIYVODYJRFSZ-HIFRSBDPSA-N	1	1	374.872	2.117	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](CCCO)C2)cc1	ZINC000452128678	560353182	/nfs/dbraw/zinc/35/31/82/560353182.db2.gz	MKNAANCIEOBVMM-KRWDZBQOSA-N	1	1	359.470	2.426	20	30		FEEDMO
C=CCn1c(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1[C@@]1(C)CCCO1	ZINC000453444803	560386848	/nfs/dbraw/zinc/38/68/48/560386848.db2.gz	SYTWEMNQSMDKAU-JTDSTZFVSA-N	1	1	363.506	2.035	20	30		FEEDMO
C=CCn1c(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1[C@@]1(C)CCCO1	ZINC000453444803	560386849	/nfs/dbraw/zinc/38/68/49/560386849.db2.gz	SYTWEMNQSMDKAU-JTDSTZFVSA-N	1	1	363.506	2.035	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1	ZINC000453448476	560386960	/nfs/dbraw/zinc/38/69/60/560386960.db2.gz	CLUYYQUWHSYBFC-IRXDYDNUSA-N	1	1	365.522	2.497	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453640078	560392715	/nfs/dbraw/zinc/39/27/15/560392715.db2.gz	GKLLJZQISXWWSF-GFCCVEGCSA-N	1	1	350.850	2.191	20	30		FEEDMO
CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)C1	ZINC000453722694	560399662	/nfs/dbraw/zinc/39/96/62/560399662.db2.gz	ODCUCRFFRUZLCZ-KRWDZBQOSA-N	1	1	365.437	2.428	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1	ZINC000453767088	560402745	/nfs/dbraw/zinc/40/27/45/560402745.db2.gz	SBWVONVZCVGKRV-OAHLLOKOSA-N	1	1	354.454	2.138	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000454049622	560424902	/nfs/dbraw/zinc/42/49/02/560424902.db2.gz	CNTDSFXSSYSFHK-LPHOPBHVSA-N	1	1	373.497	2.300	20	30		FEEDMO
C[N@@H+](CCCCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CC1	ZINC000454101860	560429333	/nfs/dbraw/zinc/42/93/33/560429333.db2.gz	KZLOGZKNVRZSFA-UHFFFAOYSA-N	1	1	359.474	2.044	20	30		FEEDMO
C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000454898892	560462681	/nfs/dbraw/zinc/46/26/81/560462681.db2.gz	RZHRPIKKGBQXLG-NSHDSACASA-N	1	1	356.348	2.107	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000454898892	560462682	/nfs/dbraw/zinc/46/26/82/560462682.db2.gz	RZHRPIKKGBQXLG-NSHDSACASA-N	1	1	356.348	2.107	20	30		FEEDMO
CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000456393318	560519057	/nfs/dbraw/zinc/51/90/57/560519057.db2.gz	XVVUIMJQICMJMD-RBUKOAKNSA-N	1	1	369.513	2.421	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(C(=O)NCc3ccc(C#N)c(F)c3)cc2)CC1	ZINC000456825595	560533941	/nfs/dbraw/zinc/53/39/41/560533941.db2.gz	BARGCUQQZDIKMV-UHFFFAOYSA-N	1	1	366.440	2.375	20	30		FEEDMO
C=CCC(C)(C)CNC(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000458805785	560649423	/nfs/dbraw/zinc/64/94/23/560649423.db2.gz	AXXANJUVQSXQSK-GOSISDBHSA-N	1	1	366.550	2.025	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1	ZINC000459995878	560727256	/nfs/dbraw/zinc/72/72/56/560727256.db2.gz	OPBVCDNNBQSSLG-FQEVSTJZSA-N	1	1	369.509	2.392	20	30		FEEDMO
C[N@@H+](CCc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C#N)c1)C1CC1	ZINC000461775555	560782762	/nfs/dbraw/zinc/78/27/62/560782762.db2.gz	LAQZSPRDMULBIS-MAUKXSAKSA-N	1	1	354.454	2.070	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)C[C@H]1C	ZINC000464420365	560841241	/nfs/dbraw/zinc/84/12/41/560841241.db2.gz	PTEPWNAPEQHZRI-HIFRSBDPSA-N	1	1	351.472	2.060	20	30		FEEDMO
CC#CCCCC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000466644017	560892053	/nfs/dbraw/zinc/89/20/53/560892053.db2.gz	SFFRXUSSZITICH-HDICACEKSA-N	1	1	350.503	2.297	20	30		FEEDMO
CC#CCCCC(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000466644017	560892054	/nfs/dbraw/zinc/89/20/54/560892054.db2.gz	SFFRXUSSZITICH-HDICACEKSA-N	1	1	350.503	2.297	20	30		FEEDMO
CC[C@@H](CO)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1	ZINC000467179059	560905743	/nfs/dbraw/zinc/90/57/43/560905743.db2.gz	DOWIXPVJOSZCHW-FQEVSTJZSA-N	1	1	351.450	2.448	20	30		FEEDMO
COC(=O)[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H]1C	ZINC000469855083	560966967	/nfs/dbraw/zinc/96/69/67/560966967.db2.gz	UFMRUCVCHWWPRP-SJORKVTESA-N	1	1	357.454	2.434	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H]1C	ZINC000469855083	560966968	/nfs/dbraw/zinc/96/69/68/560966968.db2.gz	UFMRUCVCHWWPRP-SJORKVTESA-N	1	1	357.454	2.434	20	30		FEEDMO
COC(=O)[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H]1C	ZINC000470002437	560971735	/nfs/dbraw/zinc/97/17/35/560971735.db2.gz	JKQYURSXSWVVNA-AEFFLSMTSA-N	1	1	357.454	2.434	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H]1C	ZINC000470002437	560971736	/nfs/dbraw/zinc/97/17/36/560971736.db2.gz	JKQYURSXSWVVNA-AEFFLSMTSA-N	1	1	357.454	2.434	20	30		FEEDMO
C=CCOCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000470724885	560988139	/nfs/dbraw/zinc/98/81/39/560988139.db2.gz	WUPDWYUWXBQCNO-UHFFFAOYSA-N	1	1	356.463	2.115	20	30		FEEDMO
C=CCOc1cccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)c1	ZINC000471817735	561012339	/nfs/dbraw/zinc/01/23/39/561012339.db2.gz	VZEYFAMBLDTPAW-UHFFFAOYSA-N	1	1	351.454	2.487	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H]2CO)c1C#N	ZINC000472236429	561021633	/nfs/dbraw/zinc/02/16/33/561021633.db2.gz	DTOPAWRRYCMIJU-INIZCTEOSA-N	1	1	370.453	2.403	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@@H]1Cc1ccccc1	ZINC000528392731	562326551	/nfs/dbraw/zinc/32/65/51/562326551.db2.gz	CYTMKSUWGGKXSR-PMACEKPBSA-N	1	1	352.434	2.241	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@@H]1Cc1ccccc1	ZINC000528392731	562326552	/nfs/dbraw/zinc/32/65/52/562326552.db2.gz	CYTMKSUWGGKXSR-PMACEKPBSA-N	1	1	352.434	2.241	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c(F)c1	ZINC000528470744	562330800	/nfs/dbraw/zinc/33/08/00/562330800.db2.gz	BCNOQZQMICHADJ-OAHLLOKOSA-N	1	1	351.447	2.383	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1	ZINC000528480958	562331488	/nfs/dbraw/zinc/33/14/88/562331488.db2.gz	NBFOMHMTORLUHD-IRXDYDNUSA-N	1	1	371.412	2.375	20	30		FEEDMO
C[N@H+]1CCN(C[C@H](O)COc2ccccc2C#N)C[C@@H]1Cc1ccccc1	ZINC000528495055	562332387	/nfs/dbraw/zinc/33/23/87/562332387.db2.gz	CGDBNWSTSCDEHQ-SFTDATJTSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H]1Cc1ccccc1	ZINC000528495055	562332388	/nfs/dbraw/zinc/33/23/88/562332388.db2.gz	CGDBNWSTSCDEHQ-SFTDATJTSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@@H]1Cc1ccccc1	ZINC000528495055	562332389	/nfs/dbraw/zinc/33/23/89/562332389.db2.gz	CGDBNWSTSCDEHQ-SFTDATJTSA-N	1	1	365.477	2.157	20	30		FEEDMO
CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(COC)c(C#N)c2)C[C@H]1C	ZINC000529207433	562364695	/nfs/dbraw/zinc/36/46/95/562364695.db2.gz	FHSKJFXXLGZTRY-OAHLLOKOSA-N	1	1	360.458	2.279	20	30		FEEDMO
CCOCC[N@H+]1CCN(C(=O)Nc2ccc(COC)c(C#N)c2)C[C@H]1C	ZINC000529207433	562364696	/nfs/dbraw/zinc/36/46/96/562364696.db2.gz	FHSKJFXXLGZTRY-OAHLLOKOSA-N	1	1	360.458	2.279	20	30		FEEDMO
N#Cc1cnn(-c2ccc(C(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)cc2)c1N	ZINC000530023525	562394662	/nfs/dbraw/zinc/39/46/62/562394662.db2.gz	FWYAIPLQODDZPR-SFHVURJKSA-N	1	1	364.453	2.073	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1	ZINC000531283688	562440531	/nfs/dbraw/zinc/44/05/31/562440531.db2.gz	KDVXVODOYICVAK-HUUCEWRRSA-N	1	1	374.510	2.335	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000532438039	562478027	/nfs/dbraw/zinc/47/80/27/562478027.db2.gz	GDQVRMWUVMRQJR-RDJZCZTQSA-N	1	1	358.442	2.332	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(Br)c1	ZINC000532930234	562492911	/nfs/dbraw/zinc/49/29/11/562492911.db2.gz	XDUAMBFXUJUZRE-LLVKDONJSA-N	1	1	354.248	2.281	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1	ZINC000532930234	562492912	/nfs/dbraw/zinc/49/29/12/562492912.db2.gz	XDUAMBFXUJUZRE-LLVKDONJSA-N	1	1	354.248	2.281	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCN1CCCC1=O	ZINC000534275424	562529551	/nfs/dbraw/zinc/52/95/51/562529551.db2.gz	IAFFKZDMVYBUOF-OAHLLOKOSA-N	1	1	360.433	2.015	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCN1CCCC1=O	ZINC000534275424	562529552	/nfs/dbraw/zinc/52/95/52/562529552.db2.gz	IAFFKZDMVYBUOF-OAHLLOKOSA-N	1	1	360.433	2.015	20	30		FEEDMO
N#Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)s1	ZINC000536433245	562575437	/nfs/dbraw/zinc/57/54/37/562575437.db2.gz	MGQYKVHEPCIAMS-WBVHZDCISA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)s1	ZINC000536433245	562575438	/nfs/dbraw/zinc/57/54/38/562575438.db2.gz	MGQYKVHEPCIAMS-WBVHZDCISA-N	1	1	355.463	2.233	20	30		FEEDMO
COc1cc(C#N)ccc1NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000546001931	562632526	/nfs/dbraw/zinc/63/25/26/562632526.db2.gz	NVXMWATZXTXEMW-DOTOQJQBSA-N	1	1	358.442	2.332	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C	ZINC000549956042	562641586	/nfs/dbraw/zinc/64/15/86/562641586.db2.gz	IAKJJHFDYSMDPH-OAHLLOKOSA-N	1	1	361.467	2.275	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1	ZINC000636699239	567837623	/nfs/dbraw/zinc/83/76/23/567837623.db2.gz	RNRLOMDLQHENPJ-SFHVURJKSA-N	1	1	371.481	2.001	20	30		FEEDMO
N#C[C@H]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)C1	ZINC000602166862	567946552	/nfs/dbraw/zinc/94/65/52/567946552.db2.gz	LDUOKQHKGYSDMO-PXCRPINLSA-N	1	1	353.466	2.334	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCN(CCC#N)CC2)cc1	ZINC000602267011	567961573	/nfs/dbraw/zinc/96/15/73/567961573.db2.gz	DKQPTCPPJBOLFF-MRXNPFEDSA-N	1	1	366.469	2.483	20	30		FEEDMO
Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1	ZINC000602853891	568001845	/nfs/dbraw/zinc/00/18/45/568001845.db2.gz	MOYFUOUTIYWMIY-XHSDSOJGSA-N	1	1	351.878	2.306	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)N1CC#N	ZINC000602859833	568049290	/nfs/dbraw/zinc/04/92/90/568049290.db2.gz	GVYPCKNBZNPNJJ-OKILXGFUSA-N	1	1	371.510	2.355	20	30		FEEDMO
COC(=O)[C@@H]([NH2+]CCCNC(=O)c1ccc(C(C)(C)C#N)cc1)C(C)C	ZINC000603065487	568057389	/nfs/dbraw/zinc/05/73/89/568057389.db2.gz	DTLNGAYIPMPDCH-KRWDZBQOSA-N	1	1	359.470	2.395	20	30		FEEDMO
COC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000568833569	568231296	/nfs/dbraw/zinc/23/12/96/568231296.db2.gz	ZQUWHYYPPOJHNS-INIZCTEOSA-N	1	1	367.453	2.431	20	30		FEEDMO
COC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000568833569	568231297	/nfs/dbraw/zinc/23/12/97/568231297.db2.gz	ZQUWHYYPPOJHNS-INIZCTEOSA-N	1	1	367.453	2.431	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)o2)cc1	ZINC000568825123	568233755	/nfs/dbraw/zinc/23/37/55/568233755.db2.gz	VVPPKTSAYJUXMA-KRWDZBQOSA-N	1	1	354.410	2.378	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3O)CC2)cc1	ZINC000604468325	568297488	/nfs/dbraw/zinc/29/74/88/568297488.db2.gz	IYJOFFVQBBTJLM-SFHVURJKSA-N	1	1	367.449	2.020	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000637185026	568534151	/nfs/dbraw/zinc/53/41/51/568534151.db2.gz	DUQZFCZOOSPAJN-PKOBYXMFSA-N	1	1	355.482	2.071	20	30		FEEDMO
C=CCCCC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000819734437	606249082	/nfs/dbraw/zinc/24/90/82/606249082.db2.gz	NUISVRKGTXPKNA-UHFFFAOYSA-N	1	1	354.458	2.257	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1	ZINC000822825949	606889964	/nfs/dbraw/zinc/88/99/64/606889964.db2.gz	RDZHFESVDUSOHG-IBGZPJMESA-N	1	1	360.421	2.436	20	30		FEEDMO
N#Cc1cccc(OC2CC[NH+](Cc3ccc(-c4nn[nH]n4)o3)CC2)c1	ZINC000826387531	608604093	/nfs/dbraw/zinc/60/40/93/608604093.db2.gz	ZXFGDYMLJREDRL-UHFFFAOYSA-N	1	1	350.382	2.375	20	30		FEEDMO
C#CCNC(=O)CC[NH+]1CCN([C@@H](C)c2nc3ccccc3s2)CC1	ZINC000815010268	674895238	/nfs/dbraw/zinc/89/52/38/674895238.db2.gz	IOQSEDSLHDEGSZ-HNNXBMFYSA-N	1	1	356.495	2.114	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1c1ncc(C#N)cc1Cl	ZINC001048587777	675011319	/nfs/dbraw/zinc/01/13/19/675011319.db2.gz	XWRNIQKBVOBVTA-ARFHVFGLSA-N	1	1	361.877	2.174	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccnc(Cl)c3)C[C@@H]2C1	ZINC001049069351	675022258	/nfs/dbraw/zinc/02/22/58/675022258.db2.gz	DORDVNMNCMMLAQ-TWMKSMIVSA-N	1	1	361.873	2.216	20	30		FEEDMO
N#CCCC1CC[NH+](CC(=O)Nc2ccccc2SCC(N)=O)CC1	ZINC000564917253	675076350	/nfs/dbraw/zinc/07/63/50/675076350.db2.gz	NWIIEKYOKKGMBX-UHFFFAOYSA-N	1	1	360.483	2.218	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000050962486	670290242	/nfs/dbraw/zinc/29/02/42/670290242.db2.gz	LCXCIMXOPGVQFT-OAHLLOKOSA-N	1	1	352.479	2.128	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000050962486	670290245	/nfs/dbraw/zinc/29/02/45/670290245.db2.gz	LCXCIMXOPGVQFT-OAHLLOKOSA-N	1	1	352.479	2.128	20	30		FEEDMO
NC(=[NH+]OCc1nnc(-c2ccc(Br)o2)o1)C1CCOCC1	ZINC000112087169	670865986	/nfs/dbraw/zinc/86/59/86/670865986.db2.gz	QIIBHBZMEYXHMC-UHFFFAOYSA-N	1	1	371.191	2.308	20	30		FEEDMO
N#Cc1csc(C[NH2+]C[C@@H](O)COc2ccccc2Br)n1	ZINC000572923690	671060001	/nfs/dbraw/zinc/06/00/01/671060001.db2.gz	KBYAJTLULMGKQH-LLVKDONJSA-N	1	1	368.256	2.307	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCc2c1cccc2Br	ZINC000817785037	675177550	/nfs/dbraw/zinc/17/75/50/675177550.db2.gz	ARSVTCBVNZLWOB-UHFFFAOYSA-N	1	1	350.260	2.476	20	30		FEEDMO
CC(=O)NCC[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CCSCC1	ZINC000574174956	671211544	/nfs/dbraw/zinc/21/15/44/671211544.db2.gz	MJWSBSPKHNSYTR-UHFFFAOYSA-N	1	1	357.483	2.040	20	30		FEEDMO
N#CCc1ccc(CS(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1	ZINC000577178219	671421922	/nfs/dbraw/zinc/42/19/22/671421922.db2.gz	KXLGFQIIZHJEPS-IBGZPJMESA-N	1	1	355.463	2.229	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000577335913	671588289	/nfs/dbraw/zinc/58/82/89/671588289.db2.gz	ZGKFAFHAHHCGDM-QFBILLFUSA-N	1	1	365.543	2.382	20	30		FEEDMO
COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2scc(C)c2C#N)CC1	ZINC000578664761	671681198	/nfs/dbraw/zinc/68/11/98/671681198.db2.gz	XJBABTUEFNRIKU-LBPRGKRZSA-N	1	1	350.444	2.029	20	30		FEEDMO
C=CCOc1ccccc1C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1	ZINC000579407866	671733222	/nfs/dbraw/zinc/73/32/22/671733222.db2.gz	NLYYSMQFFCAOBQ-MRXNPFEDSA-N	1	1	352.500	2.355	20	30		FEEDMO
C#CCOCCC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000123042370	671974294	/nfs/dbraw/zinc/97/42/94/671974294.db2.gz	HMVMSOPDBUFZHR-UHFFFAOYSA-N	1	1	363.889	2.008	20	30		FEEDMO
C[N@H+]1C[C@@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)[C@@H]2C1	ZINC000583436949	672094530	/nfs/dbraw/zinc/09/45/30/672094530.db2.gz	AJPQSPUKZWWNCN-XJKSGUPXSA-N	1	1	358.511	2.463	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000170652601	672323464	/nfs/dbraw/zinc/32/34/64/672323464.db2.gz	NGUYGSJQADKEAE-OAHLLOKOSA-N	1	1	352.479	2.080	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000170652601	672323467	/nfs/dbraw/zinc/32/34/67/672323467.db2.gz	NGUYGSJQADKEAE-OAHLLOKOSA-N	1	1	352.479	2.080	20	30		FEEDMO
C#CC[NH+]1CCN(Cn2[nH]c(-c3ccc4c(c3)CCC4)nc2=S)CC1	ZINC000172893746	672345532	/nfs/dbraw/zinc/34/55/32/672345532.db2.gz	XCAVXSBQYLIPMU-UHFFFAOYSA-N	1	1	353.495	2.305	20	30		FEEDMO
C=CCn1c(=S)n(CN2CCC[C@H]2C[NH+]2CCOCC2)nc1C1CC1	ZINC000173371394	672350654	/nfs/dbraw/zinc/35/06/54/672350654.db2.gz	GXFUGTWPQGPLNO-INIZCTEOSA-N	1	1	363.531	2.232	20	30		FEEDMO
C=CCCOCCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000678840921	672447565	/nfs/dbraw/zinc/44/75/65/672447565.db2.gz	KNKAYUMKNUHTAN-LJQANCHMSA-N	1	1	351.535	2.376	20	30		FEEDMO
C=CCCOCCCCC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000678840921	672447566	/nfs/dbraw/zinc/44/75/66/672447566.db2.gz	KNKAYUMKNUHTAN-LJQANCHMSA-N	1	1	351.535	2.376	20	30		FEEDMO
C[N@@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccccc2C#N)C1	ZINC000592088085	672752358	/nfs/dbraw/zinc/75/23/58/672752358.db2.gz	FNVQOFKZIWJFGC-MSOLQXFVSA-N	1	1	355.463	2.182	20	30		FEEDMO
O=C1N[C@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]2CO1	ZINC000281251640	672966401	/nfs/dbraw/zinc/96/64/01/672966401.db2.gz	DQOBBBHVFOVXAV-HIFRSBDPSA-N	1	1	354.328	2.367	20	30		FEEDMO
O=C1N[C@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]2CO1	ZINC000281251640	672966403	/nfs/dbraw/zinc/96/64/03/672966403.db2.gz	DQOBBBHVFOVXAV-HIFRSBDPSA-N	1	1	354.328	2.367	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	ZINC000594069545	673028313	/nfs/dbraw/zinc/02/83/13/673028313.db2.gz	DLEJIOMAFHGRTG-QLFBSQMISA-N	1	1	360.483	2.221	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(Cl)c1	ZINC000594327976	673058981	/nfs/dbraw/zinc/05/89/81/673058981.db2.gz	YHNDYGZQASKGTG-JKSUJKDBSA-N	1	1	360.845	2.283	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)[N@H+](C)C1	ZINC000329105118	673072490	/nfs/dbraw/zinc/07/24/90/673072490.db2.gz	DQXOEVOBGUQJAP-SOUVJXGZSA-N	1	1	367.446	2.034	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N2CSC[C@@H]2C(=O)Nc2cccc(F)c2)[N@@H+](C)C1	ZINC000329105118	673072495	/nfs/dbraw/zinc/07/24/95/673072495.db2.gz	DQXOEVOBGUQJAP-SOUVJXGZSA-N	1	1	367.446	2.034	20	30		FEEDMO
O=C(NCCc1cc(Cl)c2c(c1)OCCO2)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000329303843	673074810	/nfs/dbraw/zinc/07/48/10/673074810.db2.gz	ODDRNIDGUROEFX-CYBMUJFWSA-N	1	1	365.861	2.394	20	30		FEEDMO
CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC	ZINC000329391768	673076714	/nfs/dbraw/zinc/07/67/14/673076714.db2.gz	VNXPGGZGPJXDCX-HZPDHXFCSA-N	1	1	359.536	2.412	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cccc(F)c1I	ZINC000721657060	673083280	/nfs/dbraw/zinc/08/32/80/673083280.db2.gz	CGEMKVFFXXYHKG-UHFFFAOYSA-N	1	1	374.197	2.115	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1	ZINC000595072620	673190901	/nfs/dbraw/zinc/19/09/01/673190901.db2.gz	IMWCHKIUPRZUCQ-ZDUSSCGKSA-N	1	1	362.861	2.387	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(F)ccc1OC(F)F	ZINC000595397686	673242382	/nfs/dbraw/zinc/24/23/82/673242382.db2.gz	XATZCHNATDHIIY-UHFFFAOYSA-N	1	1	353.348	2.669	20	30		FEEDMO
CC(C)C[N@@H+](C)CCCNC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595650192	673278396	/nfs/dbraw/zinc/27/83/96/673278396.db2.gz	ALUMLRUEYOPCBE-UHFFFAOYSA-N	1	1	363.531	2.429	20	30		FEEDMO
CO[C@@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595663715	673280566	/nfs/dbraw/zinc/28/05/66/673280566.db2.gz	SRIOTAOTMRTJKA-KRWDZBQOSA-N	1	1	351.834	2.014	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1ccc(Br)cc1F	ZINC000731053572	673299370	/nfs/dbraw/zinc/29/93/70/673299370.db2.gz	RVTJHQKLMRRXEO-HNNXBMFYSA-N	1	1	353.235	2.345	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(Br)cc1F	ZINC000731053572	673299371	/nfs/dbraw/zinc/29/93/71/673299371.db2.gz	RVTJHQKLMRRXEO-HNNXBMFYSA-N	1	1	353.235	2.345	20	30		FEEDMO
N#Cc1cc(Br)ccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1	ZINC000595864699	673331891	/nfs/dbraw/zinc/33/18/91/673331891.db2.gz	VZVOIEMWDUDBKF-QGZVFWFLSA-N	1	1	364.287	2.352	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@@H]1CC1(C)C	ZINC000595910947	673337512	/nfs/dbraw/zinc/33/75/12/673337512.db2.gz	UTJURRNTZBSBJD-JKSUJKDBSA-N	1	1	360.527	2.435	20	30		FEEDMO
Cc1cc(CN=Nc2nccnc2Cl)c(C)n1CC[NH+]1CCOCC1	ZINC000733078305	673396898	/nfs/dbraw/zinc/39/68/98/673396898.db2.gz	BJPKMXSFTKTPQB-UHFFFAOYSA-N	1	1	362.865	2.327	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(F)c(C#N)c(F)c2)C[C@H](C)O1	ZINC000596696182	673405302	/nfs/dbraw/zinc/40/53/02/673405302.db2.gz	YDSBEQVDAAREPB-TXEJJXNPSA-N	1	1	351.397	2.454	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(F)c(C#N)c(F)c2)C[C@H](C)O1	ZINC000596696182	673405304	/nfs/dbraw/zinc/40/53/04/673405304.db2.gz	YDSBEQVDAAREPB-TXEJJXNPSA-N	1	1	351.397	2.454	20	30		FEEDMO
N#Cc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cnc1C(F)(F)F	ZINC000597577444	673489184	/nfs/dbraw/zinc/48/91/84/673489184.db2.gz	GNEIAELPEGASTF-STQMWFEESA-N	1	1	356.323	2.230	20	30		FEEDMO
C=CCC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(F)cc1	ZINC000735610167	673497827	/nfs/dbraw/zinc/49/78/27/673497827.db2.gz	KXCWJQOJWTVFSV-UHFFFAOYSA-N	1	1	364.490	2.292	20	30		FEEDMO
C=CC[C@@H](CO)CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000540409210	673537879	/nfs/dbraw/zinc/53/78/79/673537879.db2.gz	BBINQMJWZGZEJM-JKSUJKDBSA-N	1	1	351.516	2.444	20	30		FEEDMO
C[N@H+](Cc1ccc([S@](C)=O)cc1)C[C@H](O)COc1ccccc1C#N	ZINC000599309341	673656600	/nfs/dbraw/zinc/65/66/00/673656600.db2.gz	WJOBWNJPGJBFCN-GKVSMKOHSA-N	1	1	358.463	2.167	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599360861	673663718	/nfs/dbraw/zinc/66/37/18/673663718.db2.gz	RIWQLXSDZWPLOU-DLBZAZTESA-N	1	1	352.475	2.111	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)C1CC1	ZINC000543808986	673671756	/nfs/dbraw/zinc/67/17/56/673671756.db2.gz	CXBOPYRFNCIYRD-GOEBONIOSA-N	1	1	355.360	2.137	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000599586533	673694443	/nfs/dbraw/zinc/69/44/43/673694443.db2.gz	AMZGNBLAFVGXEK-OAGGEKHMSA-N	1	1	351.491	2.294	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000599586533	673694447	/nfs/dbraw/zinc/69/44/47/673694447.db2.gz	AMZGNBLAFVGXEK-OAGGEKHMSA-N	1	1	351.491	2.294	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c(Cl)c1	ZINC000599937680	673728825	/nfs/dbraw/zinc/72/88/25/673728825.db2.gz	HZXLADYFUSYCSP-VXGBXAGGSA-N	1	1	354.237	2.146	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c(Cl)c1	ZINC000599937668	673728837	/nfs/dbraw/zinc/72/88/37/673728837.db2.gz	HZXLADYFUSYCSP-NEPJUHHUSA-N	1	1	354.237	2.146	20	30		FEEDMO
N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1	ZINC000600065278	673738262	/nfs/dbraw/zinc/73/82/62/673738262.db2.gz	YZLPOGGCUAIISZ-CQSZACIVSA-N	1	1	360.845	2.283	20	30		FEEDMO
C[NH+]1CCN(c2ccc(-c3noc(-c4ccc(C#N)s4)n3)cn2)CC1	ZINC000545018152	673742987	/nfs/dbraw/zinc/74/29/87/673742987.db2.gz	QHJPJKRAQNJSKZ-UHFFFAOYSA-N	1	1	352.423	2.484	20	30		FEEDMO
C[N@@H+](CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1)[C@H]1CCSC1	ZINC000600478910	673772427	/nfs/dbraw/zinc/77/24/27/673772427.db2.gz	YXXZEAXTFUXWFM-KRWDZBQOSA-N	1	1	359.495	2.117	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000743980359	673777573	/nfs/dbraw/zinc/77/75/73/673777573.db2.gz	LMLBMGDPFYZITK-CQSZACIVSA-N	1	1	360.483	2.231	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000601372446	673850498	/nfs/dbraw/zinc/85/04/98/673850498.db2.gz	YFZNQERSFLMEOS-CZUORRHYSA-N	1	1	351.447	2.111	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1ccccc1CC#N)c1ccc(F)cc1	ZINC000601414581	673858437	/nfs/dbraw/zinc/85/84/37/673858437.db2.gz	AYPWMTOJWKCBEX-QGZVFWFLSA-N	1	1	361.442	2.473	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@H]1CNc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603284276	673922245	/nfs/dbraw/zinc/92/22/45/673922245.db2.gz	KBNSRYNXBWPUOD-KRWDZBQOSA-N	1	1	364.515	2.413	20	30		FEEDMO
N#CCCN1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1	ZINC000614991922	676199138	/nfs/dbraw/zinc/19/91/38/676199138.db2.gz	KVIWOCLIMJXIMV-UHFFFAOYSA-N	1	1	356.239	2.498	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccn3cc(C(F)(F)F)nc3c2)CC1	ZINC000825077597	675635853	/nfs/dbraw/zinc/63/58/53/675635853.db2.gz	BTZJOQMRFXBXDY-UHFFFAOYSA-N	1	1	350.344	2.134	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(CC#N)c1)c1cccc(F)c1	ZINC000619473564	676378902	/nfs/dbraw/zinc/37/89/02/676378902.db2.gz	JBMKOCXXLNMPPI-GOSISDBHSA-N	1	1	361.442	2.473	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc(C#N)c(Cl)c2)C1	ZINC000619769629	676394133	/nfs/dbraw/zinc/39/41/33/676394133.db2.gz	OAVXKTLBHKPXCA-MRXNPFEDSA-N	1	1	364.877	2.368	20	30		FEEDMO
C=CCCOCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000677290195	679674311	/nfs/dbraw/zinc/67/43/11/679674311.db2.gz	IKAZLAGQQFEBBV-MOPGFXCFSA-N	1	1	351.535	2.375	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000620634166	676423530	/nfs/dbraw/zinc/42/35/30/676423530.db2.gz	JNYVTBPULGUFQB-CVEARBPZSA-N	1	1	351.516	2.134	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCC[C@H](CS(=O)(=O)NC)C2)cc1OC	ZINC000628495287	676805122	/nfs/dbraw/zinc/80/51/22/676805122.db2.gz	NAVFEAVGDHCGNV-INIZCTEOSA-N	1	1	368.499	2.021	20	30		FEEDMO
C[C@@](O)(C[N@H+]1CC[C@](O)(CC#N)C1)c1ccc(Br)cc1F	ZINC000829999183	677021052	/nfs/dbraw/zinc/02/10/52/677021052.db2.gz	YBNNYCWSLJGNJJ-HUUCEWRRSA-N	1	1	357.223	2.146	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c(OC(F)F)c1	ZINC000830105359	677025496	/nfs/dbraw/zinc/02/54/96/677025496.db2.gz	JDPWGQFDCOELDY-ZDUSSCGKSA-N	1	1	351.353	2.434	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c(OC(F)F)c1	ZINC000830105359	677025498	/nfs/dbraw/zinc/02/54/98/677025498.db2.gz	JDPWGQFDCOELDY-ZDUSSCGKSA-N	1	1	351.353	2.434	20	30		FEEDMO
C#CC[NH+]1CCC(NC(=O)c2ccccc2[S@@](=O)C(F)(F)F)CC1	ZINC000830162605	677028296	/nfs/dbraw/zinc/02/82/96/677028296.db2.gz	MEQWSPNOQRIWQJ-XMMPIXPASA-N	1	1	358.385	2.141	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccccc1NCCC[N@H+]1CCCO[C@H](C)C1	ZINC000641536753	677209341	/nfs/dbraw/zinc/20/93/41/677209341.db2.gz	GXUUKRRHDKWISS-MRXNPFEDSA-N	1	1	367.515	2.064	20	30		FEEDMO
CC#CC[C@@H](CO)[NH2+]Cc1ncc(Br)cc1Br	ZINC000641766877	677215266	/nfs/dbraw/zinc/21/52/66/677215266.db2.gz	CUNDYZMNLSOFCU-JTQLQIEISA-N	1	1	362.065	2.471	20	30		FEEDMO
C#CC[N@@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1	ZINC000761504947	680725271	/nfs/dbraw/zinc/72/52/71/680725271.db2.gz	BCYPXJFILBZAOD-HOCLYGCPSA-N	1	1	353.459	2.135	20	30		FEEDMO
C#CC[N@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1	ZINC000761504947	680725273	/nfs/dbraw/zinc/72/52/73/680725273.db2.gz	BCYPXJFILBZAOD-HOCLYGCPSA-N	1	1	353.459	2.135	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000839591515	680764363	/nfs/dbraw/zinc/76/43/63/680764363.db2.gz	JPMVTPKCPIFABZ-CVEARBPZSA-N	1	1	351.491	2.352	20	30		FEEDMO
C=CC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@H](C)COC	ZINC000661241830	678456896	/nfs/dbraw/zinc/45/68/96/678456896.db2.gz	BZGHASGLQLSRRN-GFCCVEGCSA-N	1	1	366.259	2.480	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc2c(s1)CCC2	ZINC000764664370	680818063	/nfs/dbraw/zinc/81/80/63/680818063.db2.gz	FBGLZSDZNISSED-UHFFFAOYSA-N	1	1	366.556	2.147	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C(C)C)s2)C1	ZINC001018862367	680084530	/nfs/dbraw/zinc/08/45/30/680084530.db2.gz	AGLFHTJAYHDBML-ZNMIVQPWSA-N	1	1	364.515	2.333	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc(COC)n2)C1	ZINC001020728709	680113783	/nfs/dbraw/zinc/11/37/83/680113783.db2.gz	ATAUQRIMJVZRPL-HPZZRFSDSA-N	1	1	365.499	2.008	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]21	ZINC000978171403	680170717	/nfs/dbraw/zinc/17/07/17/680170717.db2.gz	ZELWEJNZTRNGHT-DZVNLGKHSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001023444170	680260948	/nfs/dbraw/zinc/26/09/48/680260948.db2.gz	DZLVYAPNKBHLEP-KFWWJZLASA-N	1	1	364.408	2.127	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H](OC)C2CCCC2)CC1	ZINC000981994322	680261183	/nfs/dbraw/zinc/26/11/83/680261183.db2.gz	CVRWNRXVXHVVQK-CEXWTWQISA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](CCCC2CCOCC2)CC1	ZINC000981994999	680261257	/nfs/dbraw/zinc/26/12/57/680261257.db2.gz	ZALFATMURNLJFQ-MOPGFXCFSA-N	1	1	350.503	2.319	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCOC2CCC2)C1	ZINC001023642941	680268445	/nfs/dbraw/zinc/26/84/45/680268445.db2.gz	KSPVGSZXCFAEPJ-WDSOQIARSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](CCC[C@@H]2CCOC2)CC1	ZINC000982173681	680272573	/nfs/dbraw/zinc/27/25/73/680272573.db2.gz	PBIVWCBIVAPPOT-QYZOEREBSA-N	1	1	350.503	2.319	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCOCC1	ZINC001024702482	680301270	/nfs/dbraw/zinc/30/12/70/680301270.db2.gz	WLEUMXBAWLLXEY-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2csnn2)C1	ZINC000983697290	680321879	/nfs/dbraw/zinc/32/18/79/680321879.db2.gz	FIUCQWRQCYWHNE-IPVBOJNNSA-N	1	1	350.488	2.065	20	30		FEEDMO
FC(F)Oc1cc2c(cc1C=NNC1=[NH+][C@@H]3CCCC[C@H]3N1)OCO2	ZINC000753927482	680324918	/nfs/dbraw/zinc/32/49/18/680324918.db2.gz	CEPHSPKWLYHHMY-GHMZBOCLSA-N	1	1	352.341	2.211	20	30		FEEDMO
CC(C)[N@@H+]1CC(N=Nc2ccc(S(=O)(=O)NC3CC3)cc2)[C@@H](C)C1	ZINC000754256672	680345562	/nfs/dbraw/zinc/34/55/62/680345562.db2.gz	DBFRNZMAFAOMBV-ZDUSSCGKSA-N	1	1	350.488	2.255	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(Cl)c1	ZINC000754412288	680354627	/nfs/dbraw/zinc/35/46/27/680354627.db2.gz	MGEXWLZYRKJXIP-RYUDHWBXSA-N	1	1	354.237	2.458	20	30		FEEDMO
C=C(Br)C[NH+]1CCC([C@H](C)NC(=O)[C@]23C[C@H]2COC3)CC1	ZINC000997591588	680359820	/nfs/dbraw/zinc/35/98/20/680359820.db2.gz	AMAFTSLRDJUVLJ-NOLJZWGESA-N	1	1	357.292	2.148	20	30		FEEDMO
C=C(Br)CN1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC001028550626	680373804	/nfs/dbraw/zinc/37/38/04/680373804.db2.gz	FFYCKPGUVRBDLL-SOUVJXGZSA-N	1	1	358.324	2.063	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2	ZINC000998630459	680386209	/nfs/dbraw/zinc/38/62/09/680386209.db2.gz	LIOCTJUOOLLAJM-FZKCQIBNSA-N	1	1	367.921	2.355	20	30		FEEDMO
C=C(Cl)CN[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC000999196098	680398644	/nfs/dbraw/zinc/39/86/44/680398644.db2.gz	WHTFYCSSAMGTLI-KURKYZTESA-N	1	1	369.937	2.066	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2Cl)C1	ZINC001032841601	680415504	/nfs/dbraw/zinc/41/55/04/680415504.db2.gz	NIYLZVGJFMZLQH-UWIFEVILSA-N	1	1	364.873	2.155	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2Cl)C1	ZINC001032841601	680415505	/nfs/dbraw/zinc/41/55/05/680415505.db2.gz	NIYLZVGJFMZLQH-UWIFEVILSA-N	1	1	364.873	2.155	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1	ZINC000755893210	680443061	/nfs/dbraw/zinc/44/30/61/680443061.db2.gz	QPYCLMYUPAQPRG-LBPRGKRZSA-N	1	1	365.503	2.040	20	30		FEEDMO
C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1	ZINC001035500491	680448174	/nfs/dbraw/zinc/44/81/74/680448174.db2.gz	UFVMFNXKMPJPMC-RBSFLKMASA-N	1	1	350.409	2.461	20	30		FEEDMO
C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1	ZINC001035500491	680448176	/nfs/dbraw/zinc/44/81/76/680448176.db2.gz	UFVMFNXKMPJPMC-RBSFLKMASA-N	1	1	350.409	2.461	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000836394725	680463149	/nfs/dbraw/zinc/46/31/49/680463149.db2.gz	RLSQSXACIHXNRE-UHFFFAOYSA-N	1	1	352.822	2.045	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@@H+](C)C[C@@H]2CCOC2)CC1	ZINC000985693236	680470809	/nfs/dbraw/zinc/47/08/09/680470809.db2.gz	SOOKXJWASNLBBG-WDSOQIARSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCc2cccc(Br)c2C1	ZINC000836488877	680476112	/nfs/dbraw/zinc/47/61/12/680476112.db2.gz	QMAUTZNAFJCJRV-UHFFFAOYSA-N	1	1	364.287	2.472	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NC[C@@H](COC)c1ccc(Cl)cc1	ZINC000836491396	680476988	/nfs/dbraw/zinc/47/69/88/680476988.db2.gz	QREZUCKIGOIFAM-INIZCTEOSA-N	1	1	351.878	2.324	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCCCN1C(=O)c1cccs1	ZINC000756541002	680483947	/nfs/dbraw/zinc/48/39/47/680483947.db2.gz	FCQOKBGFPDAQRI-CVEARBPZSA-N	1	1	360.479	2.384	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001045479305	680631769	/nfs/dbraw/zinc/63/17/69/680631769.db2.gz	ZRVKJDQLGCPLHH-NEPJUHHUSA-N	1	1	370.799	2.056	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCCO)C2)C1	ZINC001045939256	680641799	/nfs/dbraw/zinc/64/17/99/680641799.db2.gz	YTDQELKCFGNWOQ-WSTZPKSXSA-N	1	1	350.503	2.055	20	30		FEEDMO
C[C@@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1	ZINC001046324432	680645487	/nfs/dbraw/zinc/64/54/87/680645487.db2.gz	MBEIWGHRLAIUTR-DBVUQKKJSA-N	1	1	358.869	2.309	20	30		FEEDMO
C[C@@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1	ZINC001046324432	680645490	/nfs/dbraw/zinc/64/54/90/680645490.db2.gz	MBEIWGHRLAIUTR-DBVUQKKJSA-N	1	1	358.869	2.309	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)c1ccc(Cl)c(F)c1	ZINC000759853346	680670024	/nfs/dbraw/zinc/67/00/24/680670024.db2.gz	UDKCUZBHRNMLTI-HNNXBMFYSA-N	1	1	351.813	2.254	20	30		FEEDMO
C#CCNC(=O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1	ZINC000759909117	680671832	/nfs/dbraw/zinc/67/18/32/680671832.db2.gz	GAQSOTQAIPLMGW-UHFFFAOYSA-N	1	1	351.244	2.042	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1c(F)ccc(Br)c1OC	ZINC000843896765	681024444	/nfs/dbraw/zinc/02/44/44/681024444.db2.gz	KPFAEEXUUKBAOL-UHFFFAOYSA-N	1	1	357.223	2.282	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000844372651	681054648	/nfs/dbraw/zinc/05/46/48/681054648.db2.gz	BIOIBQKCKLLDDQ-ACJLOTCBSA-N	1	1	365.861	2.024	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000844372651	681054650	/nfs/dbraw/zinc/05/46/50/681054650.db2.gz	BIOIBQKCKLLDDQ-ACJLOTCBSA-N	1	1	365.861	2.024	20	30		FEEDMO
C=C(Br)CNC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1	ZINC000844929270	681093833	/nfs/dbraw/zinc/09/38/33/681093833.db2.gz	ONTCTPULJCIUHB-HNNXBMFYSA-N	1	1	352.276	2.463	20	30		FEEDMO
C=C(Br)CNC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1	ZINC000844929270	681093835	/nfs/dbraw/zinc/09/38/35/681093835.db2.gz	ONTCTPULJCIUHB-HNNXBMFYSA-N	1	1	352.276	2.463	20	30		FEEDMO
Cc1nsc(NCC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)c1C#N	ZINC001053320012	681095289	/nfs/dbraw/zinc/09/52/89/681095289.db2.gz	FHTNZZAZQRLMQY-XNRPHZJLSA-N	1	1	361.515	2.314	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC2CCN(c3nc(C#N)c(Cl)s3)CC2)CC[N@H+]1C	ZINC001057964862	681166323	/nfs/dbraw/zinc/16/63/23/681166323.db2.gz	LWEGQGHDVKXFDU-ZYHUDNBSSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC[C@@H]2C1	ZINC000946684261	681252670	/nfs/dbraw/zinc/25/26/70/681252670.db2.gz	BRYVQASVSXGZPJ-QSAAJNHFSA-N	1	1	350.890	2.333	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCSCC2)[C@H](C)C1	ZINC000932945634	681333026	/nfs/dbraw/zinc/33/30/26/681333026.db2.gz	DMPNNPCNJYSBKF-HZPDHXFCSA-N	1	1	353.532	2.277	20	30		FEEDMO
C[S@](=O)CC[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932945123	681333033	/nfs/dbraw/zinc/33/30/33/681333033.db2.gz	RNPPCTKSVRONBY-ANHGTOLTSA-N	1	1	359.282	2.468	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCO1	ZINC000775799581	681336078	/nfs/dbraw/zinc/33/60/78/681336078.db2.gz	OJGYDDYALJQBKQ-XEGUGMAKSA-N	1	1	351.790	2.346	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H]1CCCO1	ZINC000775797374	681336252	/nfs/dbraw/zinc/33/62/52/681336252.db2.gz	DCUCZMYIVMNENL-BQFCYCMXSA-N	1	1	355.463	2.119	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cc1	ZINC000933079530	681359823	/nfs/dbraw/zinc/35/98/23/681359823.db2.gz	MCPNYKJZECDYER-GOSISDBHSA-N	1	1	362.495	2.471	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](C3CCOCC3)C2)cc1	ZINC000933079530	681359826	/nfs/dbraw/zinc/35/98/26/681359826.db2.gz	MCPNYKJZECDYER-GOSISDBHSA-N	1	1	362.495	2.471	20	30		FEEDMO
C[NH+](C)[C@H](C(=O)NCCNc1ncccc1C#N)c1ccc(Cl)cc1	ZINC000847387843	681372350	/nfs/dbraw/zinc/37/23/50/681372350.db2.gz	VTOGJKHKIUEANR-INIZCTEOSA-N	1	1	357.845	2.438	20	30		FEEDMO
C[N@H+]1CCC[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000847448360	681380674	/nfs/dbraw/zinc/38/06/74/681380674.db2.gz	OZMKPHQHJUQQCW-LSDHHAIUSA-N	1	1	352.479	2.174	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C	ZINC000847491022	681385639	/nfs/dbraw/zinc/38/56/39/681385639.db2.gz	FXNJKEWZELIUOP-GJZGRUSLSA-N	1	1	352.479	2.174	20	30		FEEDMO
C#CCCN1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1	ZINC000776593100	681412442	/nfs/dbraw/zinc/41/24/42/681412442.db2.gz	RBIMEQYFVSEMKQ-CQSZACIVSA-N	1	1	357.281	2.374	20	30		FEEDMO
CC(C)[NH+]1CC(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000847767104	681430013	/nfs/dbraw/zinc/43/00/13/681430013.db2.gz	MNFWIMLYRUYSOO-OAHLLOKOSA-N	1	1	352.479	2.172	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933715964	681456674	/nfs/dbraw/zinc/45/66/74/681456674.db2.gz	NGITXOHQMLJIJM-GFCCVEGCSA-N	1	1	355.364	2.047	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933715964	681456678	/nfs/dbraw/zinc/45/66/78/681456678.db2.gz	NGITXOHQMLJIJM-GFCCVEGCSA-N	1	1	355.364	2.047	20	30		FEEDMO
C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000934467561	681574610	/nfs/dbraw/zinc/57/46/10/681574610.db2.gz	OOUDQXQDOQIGEB-KRWDZBQOSA-N	1	1	359.495	2.465	20	30		FEEDMO
C=CC[C@H]1CC[N@H+]1CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000934467561	681574613	/nfs/dbraw/zinc/57/46/13/681574613.db2.gz	OOUDQXQDOQIGEB-KRWDZBQOSA-N	1	1	359.495	2.465	20	30		FEEDMO
C=CCCC[N@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000934648417	681606000	/nfs/dbraw/zinc/60/60/00/681606000.db2.gz	OMFVBBZGOONKRZ-GJZGRUSLSA-N	1	1	367.515	2.188	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1	ZINC000779147872	681684968	/nfs/dbraw/zinc/68/49/68/681684968.db2.gz	DGIMNZOEYCVNHW-AWEZNQCLSA-N	1	1	370.902	2.113	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1	ZINC000779147872	681684971	/nfs/dbraw/zinc/68/49/71/681684971.db2.gz	DGIMNZOEYCVNHW-AWEZNQCLSA-N	1	1	370.902	2.113	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[NH+]1CCC([C@H](O)C(=O)OC)CC1	ZINC000779163819	681685462	/nfs/dbraw/zinc/68/54/62/681685462.db2.gz	GMGJUSQFSVXHBH-KRWDZBQOSA-N	1	1	351.830	2.098	20	30		FEEDMO
CC(C)[NH+]1CCN(C2CCN(C(=O)C3(C#N)CCSCC3)CC2)CC1	ZINC000935130608	681695023	/nfs/dbraw/zinc/69/50/23/681695023.db2.gz	JZCSRASSKUYOFQ-UHFFFAOYSA-N	1	1	364.559	2.040	20	30		FEEDMO
C=CC1(CC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)CN(C(=O)OC(C)(C)C)C1	ZINC000935211452	681711336	/nfs/dbraw/zinc/71/13/36/681711336.db2.gz	CLOZLRVMGVTSHM-LSDHHAIUSA-N	1	1	351.491	2.351	20	30		FEEDMO
CCOc1cc(C=NNC2=[NH+]C[C@@H](C)N2)cc(Br)c1OC	ZINC000779805777	681755228	/nfs/dbraw/zinc/75/52/28/681755228.db2.gz	RNNUNBHBMWZUKR-SECBINFHSA-N	1	1	355.236	2.128	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)c1ccccc1C=O)C(C)C	ZINC000780853711	681877719	/nfs/dbraw/zinc/87/77/19/681877719.db2.gz	UFGFPQAAZHKCPT-KRWDZBQOSA-N	1	1	350.484	2.476	20	30		FEEDMO
C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)Cc2csc(C#N)c2)C1	ZINC000914085826	685493914	/nfs/dbraw/zinc/49/39/14/685493914.db2.gz	SXKSCLOOMLHIEQ-OAHLLOKOSA-N	1	1	361.492	2.442	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000914259271	685501275	/nfs/dbraw/zinc/50/12/75/685501275.db2.gz	OPHITJFTQJPRDB-HKUYNNGSSA-N	1	1	361.511	2.421	20	30		FEEDMO
C#CCOCC[N@H+](CCC(=O)OC)Cc1cccc(Br)c1	ZINC000851979074	682196390	/nfs/dbraw/zinc/19/63/90/682196390.db2.gz	UDYZLAHHPHUVLO-UHFFFAOYSA-N	1	1	354.244	2.464	20	30		FEEDMO
C#C[C@](C)(CC)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)CCC	ZINC000852103820	682219913	/nfs/dbraw/zinc/21/99/13/682219913.db2.gz	SGQDBOSMKSGBMC-QGZVFWFLSA-N	1	1	371.524	2.036	20	30		FEEDMO
C#CCC[N@H+](CCOC)C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1	ZINC000852750368	682335452	/nfs/dbraw/zinc/33/54/52/682335452.db2.gz	RZUYSFGKVOGQCQ-MRXNPFEDSA-N	1	1	352.475	2.127	20	30		FEEDMO
C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCO[C@H]3C(C)C)C2)C1	ZINC000972389724	682412714	/nfs/dbraw/zinc/41/27/14/682412714.db2.gz	VDTXDJZYTLRZCS-CMKODMSKSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCO[C@H]3C(C)C)C2)C1	ZINC000972389724	682412720	/nfs/dbraw/zinc/41/27/20/682412720.db2.gz	VDTXDJZYTLRZCS-CMKODMSKSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CCC[N@@H+](CCOC)CN1C[C@H](c2cc(F)c(F)c(F)c2)CC1=O	ZINC000853620746	682446555	/nfs/dbraw/zinc/44/65/55/682446555.db2.gz	CDCRTJFBMNZVGZ-CQSZACIVSA-N	1	1	354.372	2.349	20	30		FEEDMO
C#CCC[N@H+](CCOC)CN1C[C@H](c2cc(F)c(F)c(F)c2)CC1=O	ZINC000853620746	682446557	/nfs/dbraw/zinc/44/65/57/682446557.db2.gz	CDCRTJFBMNZVGZ-CQSZACIVSA-N	1	1	354.372	2.349	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1(C(=O)OC(C)(C)C)CCSCC1	ZINC000860530205	683256698	/nfs/dbraw/zinc/25/66/98/683256698.db2.gz	SDPVMFWONCGQPG-OAHLLOKOSA-N	1	1	367.511	2.482	20	30		FEEDMO
C=CC[N@@H+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000798184109	683318961	/nfs/dbraw/zinc/31/89/61/683318961.db2.gz	RSTKXFYEFSEVTP-HOTGVXAUSA-N	1	1	374.547	2.458	20	30		FEEDMO
C=CC[N@H+](C[C@H](CNC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000798184109	683318968	/nfs/dbraw/zinc/31/89/68/683318968.db2.gz	RSTKXFYEFSEVTP-HOTGVXAUSA-N	1	1	374.547	2.458	20	30		FEEDMO
N#Cc1ccccc1C(F)(F)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000928079442	683372790	/nfs/dbraw/zinc/37/27/90/683372790.db2.gz	YPBCXIWEUUIORJ-CABCVRRESA-N	1	1	351.422	2.346	20	30		FEEDMO
N#Cc1ccccc1C(F)(F)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12	ZINC000928079442	683372796	/nfs/dbraw/zinc/37/27/96/683372796.db2.gz	YPBCXIWEUUIORJ-CABCVRRESA-N	1	1	351.422	2.346	20	30		FEEDMO
N#Cc1cc(F)cc(C2(C(=O)N[C@@H]3CCC[N@H+]4CCSC[C@H]34)CC2)c1	ZINC000928080946	683373275	/nfs/dbraw/zinc/37/32/75/683373275.db2.gz	NBZYNXJHAJIQLX-IAGOWNOFSA-N	1	1	359.470	2.425	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000798956993	683407894	/nfs/dbraw/zinc/40/78/94/683407894.db2.gz	TXCXHWYLFOSWIP-HNAYVOBHSA-N	1	1	351.491	2.352	20	30		FEEDMO
Cn1cc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(Br)n1	ZINC000862213946	683550869	/nfs/dbraw/zinc/55/08/69/683550869.db2.gz	YYDMEHXFNTWLIH-UHFFFAOYSA-N	1	1	374.286	2.372	20	30		FEEDMO
CC[N@H+](C[C@H](C)C#N)C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1	ZINC000929429541	683595381	/nfs/dbraw/zinc/59/53/81/683595381.db2.gz	MXKYXIDTXBAMOS-KGLIPLIRSA-N	1	1	351.447	2.021	20	30		FEEDMO
CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1	ZINC000929429541	683595386	/nfs/dbraw/zinc/59/53/86/683595386.db2.gz	MXKYXIDTXBAMOS-KGLIPLIRSA-N	1	1	351.447	2.021	20	30		FEEDMO
N#Cc1ccc(Br)c(CNC[C@@H]2CCC[N@@H+]2CCCO)c1	ZINC000922153044	683670783	/nfs/dbraw/zinc/67/07/83/683670783.db2.gz	AAAKHCYCOWSUNA-HNNXBMFYSA-N	1	1	352.276	2.257	20	30		FEEDMO
N#Cc1ccc(Br)c(C[NH2+]C[C@@H]2CCCN2CCCO)c1	ZINC000922153044	683670786	/nfs/dbraw/zinc/67/07/86/683670786.db2.gz	AAAKHCYCOWSUNA-HNNXBMFYSA-N	1	1	352.276	2.257	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCCC2=NN[C@H]2CCCS(=O)(=O)C2)C1	ZINC000863133244	683680235	/nfs/dbraw/zinc/68/02/35/683680235.db2.gz	ICEDSCMKORCLDE-UIBIWLFHSA-N	1	1	355.548	2.430	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2=NN[C@H]2CCCS(=O)(=O)C2)C1	ZINC000863133244	683680238	/nfs/dbraw/zinc/68/02/38/683680238.db2.gz	ICEDSCMKORCLDE-UIBIWLFHSA-N	1	1	355.548	2.430	20	30		FEEDMO
C[C@]12CC[N@H+](C[C@H](O)CC#N)C[C@H]1C2(Br)Br	ZINC000930925766	683804253	/nfs/dbraw/zinc/80/42/53/683804253.db2.gz	LYJGOECSIZVLST-BBBLOLIVSA-N	1	1	352.070	2.089	20	30		FEEDMO
C[C@]12CC[N@@H+](C[C@H](O)CC#N)C[C@H]1C2(Br)Br	ZINC000930925766	683804260	/nfs/dbraw/zinc/80/42/60/683804260.db2.gz	LYJGOECSIZVLST-BBBLOLIVSA-N	1	1	352.070	2.089	20	30		FEEDMO
Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(C#N)c2)cn1	ZINC000931426305	684281796	/nfs/dbraw/zinc/28/17/96/684281796.db2.gz	MFCIVECBQVDXKY-QGZVFWFLSA-N	1	1	357.845	2.340	20	30		FEEDMO
Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(Cl)cc(C#N)c2)cn1	ZINC000931426305	684281799	/nfs/dbraw/zinc/28/17/99/684281799.db2.gz	MFCIVECBQVDXKY-QGZVFWFLSA-N	1	1	357.845	2.340	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)C1	ZINC000923585105	684308844	/nfs/dbraw/zinc/30/88/44/684308844.db2.gz	KCCDNEMOXDYIRW-WMLDXEAASA-N	1	1	359.495	2.339	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)C1	ZINC000923585105	684308846	/nfs/dbraw/zinc/30/88/46/684308846.db2.gz	KCCDNEMOXDYIRW-WMLDXEAASA-N	1	1	359.495	2.339	20	30		FEEDMO
COc1cc(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c(F)cc1C#N	ZINC000931983718	684382322	/nfs/dbraw/zinc/38/23/22/684382322.db2.gz	JVAADDOYRIUVDU-DZGCQCFKSA-N	1	1	364.446	2.407	20	30		FEEDMO
COc1ccc([C@H]2CN(C(=O)c3ncc(C#N)cc3Cl)CC[NH2+]2)cc1	ZINC000870143575	684687300	/nfs/dbraw/zinc/68/73/00/684687300.db2.gz	VSQXNKBVPIPRCK-MRXNPFEDSA-N	1	1	356.813	2.402	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1CC	ZINC000910539679	685072599	/nfs/dbraw/zinc/07/25/99/685072599.db2.gz	IGICKWCNYCDVEK-LBPRGKRZSA-N	1	1	355.891	2.127	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1CC	ZINC000910539679	685072601	/nfs/dbraw/zinc/07/26/01/685072601.db2.gz	IGICKWCNYCDVEK-LBPRGKRZSA-N	1	1	355.891	2.127	20	30		FEEDMO
COCC[N@@H+](C)CCNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000875216059	685756808	/nfs/dbraw/zinc/75/68/08/685756808.db2.gz	OTQFQHSGTKAWAR-AWEZNQCLSA-N	1	1	358.364	2.039	20	30		FEEDMO
N#Cc1cnc(Cl)c(CNCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1	ZINC000877625214	686424979	/nfs/dbraw/zinc/42/49/79/686424979.db2.gz	WXTPQNACZROAIW-GOSISDBHSA-N	1	1	356.857	2.463	20	30		FEEDMO
C#CCC1(O)CC[NH+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)CC1	ZINC000880480665	687052970	/nfs/dbraw/zinc/05/29/70/687052970.db2.gz	AVBUTHAKLUVCTG-UHFFFAOYSA-N	1	1	355.463	2.259	20	30		FEEDMO
N#Cc1cnc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c(Br)c1	ZINC000881796056	687218526	/nfs/dbraw/zinc/21/85/26/687218526.db2.gz	SWQFLIZHZXQERS-CQSZACIVSA-N	1	1	365.275	2.407	20	30		FEEDMO
N#Cc1cnc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c(Br)c1	ZINC000881796056	687218529	/nfs/dbraw/zinc/21/85/29/687218529.db2.gz	SWQFLIZHZXQERS-CQSZACIVSA-N	1	1	365.275	2.407	20	30		FEEDMO
N#Cc1nc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1Br	ZINC000883080003	687558749	/nfs/dbraw/zinc/55/87/49/687558749.db2.gz	MWUWIUGBYVVAEY-QWRGUYRKSA-N	1	1	364.247	2.464	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000885457917	688077654	/nfs/dbraw/zinc/07/76/54/688077654.db2.gz	ZOBQLZUOWBCYBZ-OLZOCXBDSA-N	1	1	355.410	2.084	20	30		FEEDMO
C#CC[N@H+](C[C@H](O)C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426344	688253341	/nfs/dbraw/zinc/25/33/41/688253341.db2.gz	TVMPKDRVXWYCEC-ZDUSSCGKSA-N	1	1	350.381	2.244	20	30		FEEDMO
C#CC[N@@H+](C[C@H](O)C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426344	688253345	/nfs/dbraw/zinc/25/33/45/688253345.db2.gz	TVMPKDRVXWYCEC-ZDUSSCGKSA-N	1	1	350.381	2.244	20	30		FEEDMO
C[N@H+]1C[C@@H]2CCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)[C@@H]2C1	ZINC000891717298	689096743	/nfs/dbraw/zinc/09/67/43/689096743.db2.gz	COQKUZDAVJSKTF-GOEBONIOSA-N	1	1	351.372	2.402	20	30		FEEDMO
CC#CC[C@@H](CO)[NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1	ZINC000895097984	689660604	/nfs/dbraw/zinc/66/06/04/689660604.db2.gz	HWBFVGYQDZXRSL-ZDUSSCGKSA-N	1	1	351.447	2.298	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12	ZINC000896608984	689905604	/nfs/dbraw/zinc/90/56/04/689905604.db2.gz	KRBQUIOIATXQEE-LSDHHAIUSA-N	1	1	350.513	2.341	20	30		FEEDMO
CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)c1	ZINC000902759642	690805812	/nfs/dbraw/zinc/80/58/12/690805812.db2.gz	BDOBJOCILCFSDU-CQSZACIVSA-N	1	1	358.467	2.491	20	30		FEEDMO
C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000906798117	691317847	/nfs/dbraw/zinc/31/78/47/691317847.db2.gz	NXBWHZVBEUFYBQ-LSDHHAIUSA-N	1	1	351.491	2.399	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3c(C#N)sc4ccccc43)C[C@]2(C)C1	ZINC000907557981	691518943	/nfs/dbraw/zinc/51/89/43/691518943.db2.gz	QZBJYLIFVXBTOP-PXAZEXFGSA-N	1	1	361.492	2.345	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(OC)c1C#N)C2	ZINC001164814367	720100733	/nfs/dbraw/zinc/10/07/33/720100733.db2.gz	SDAGLHRWHIGOES-OXJNMPFZSA-N	1	1	356.470	2.147	20	30		FEEDMO
COc1nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(F)cc1C#N	ZINC001164732869	720427534	/nfs/dbraw/zinc/42/75/34/720427534.db2.gz	OTPPMUFDCIYNOC-DLBZAZTESA-N	1	1	353.401	2.349	20	30		FEEDMO
N#Cc1cc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ccc2[nH]1	ZINC001164880679	721134727	/nfs/dbraw/zinc/13/47/27/721134727.db2.gz	WZGMFVVAESZNMB-QZTJIDSGSA-N	1	1	374.448	2.309	20	30		FEEDMO
Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1C#N	ZINC001164912381	721548645	/nfs/dbraw/zinc/54/86/45/721548645.db2.gz	ZJXHWTNLUGLBPD-RDJZCZTQSA-N	1	1	353.401	2.138	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN([C@@H](C(N)=O)c3ccc(F)cc3)CC2)cc1	ZINC000022136709	539691655	/nfs/dbraw/zinc/69/16/55/539691655.db2.gz	XKRFNCQTEXDUHC-HXUWFJFHSA-N	1	1	366.440	2.432	20	30		FEEDMO
CC[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)Cc1cccs1	ZINC000029717861	539862086	/nfs/dbraw/zinc/86/20/86/539862086.db2.gz	NSENIZMXZNHTAV-UHFFFAOYSA-N	1	1	373.482	2.087	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)Cc1cccs1	ZINC000029717861	539862090	/nfs/dbraw/zinc/86/20/90/539862090.db2.gz	NSENIZMXZNHTAV-UHFFFAOYSA-N	1	1	373.482	2.087	20	30		FEEDMO
CNC(=O)c1ccc(C[N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)cc1	ZINC000029931537	539869068	/nfs/dbraw/zinc/86/90/68/539869068.db2.gz	XVMXNXPINQJIRX-UHFFFAOYSA-N	1	1	350.422	2.378	20	30		FEEDMO
CCC[N@@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccc(C#N)cc1	ZINC000047739971	540326534	/nfs/dbraw/zinc/32/65/34/540326534.db2.gz	JHKHBGGSGXEMHL-UHFFFAOYSA-N	1	1	357.454	2.182	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000048767773	540372974	/nfs/dbraw/zinc/37/29/74/540372974.db2.gz	DZGCPSQBDNTCMK-MRXNPFEDSA-N	1	1	352.394	2.043	20	30		FEEDMO
CC(=O)NCC1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1	ZINC000051856617	540447080	/nfs/dbraw/zinc/44/70/80/540447080.db2.gz	GRSNGHTWEXMIBQ-UHFFFAOYSA-N	1	1	370.497	2.398	20	30		FEEDMO
C[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ccc(C#N)cc1	ZINC000052505624	540469545	/nfs/dbraw/zinc/46/95/45/540469545.db2.gz	ADURPFYRICPTIA-HNNXBMFYSA-N	1	1	351.454	2.381	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000550624483	674102851	/nfs/dbraw/zinc/10/28/51/674102851.db2.gz	SEGWGFVWDCQCDW-NSHDSACASA-N	1	1	352.847	2.331	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)c(C(F)(F)F)c1	ZINC000055592549	540662608	/nfs/dbraw/zinc/66/26/08/540662608.db2.gz	LJXDIIMYEFHFQP-UHFFFAOYSA-N	1	1	361.389	2.341	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000076300397	542257703	/nfs/dbraw/zinc/25/77/03/542257703.db2.gz	QFVFMXBZCAFHQT-NSHDSACASA-N	1	1	370.375	2.362	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1	ZINC000058437061	540843052	/nfs/dbraw/zinc/84/30/52/540843052.db2.gz	KHXUMIGAZYRKLT-IBGZPJMESA-N	1	1	358.486	2.447	20	30		FEEDMO
CC(C)N(C(=O)[C@H](C)[N@H+]1CCCN(c2ncccc2C#N)CC1)C(C)C	ZINC000066437550	541318500	/nfs/dbraw/zinc/31/85/00/541318500.db2.gz	JJDRRAJDDATLDR-KRWDZBQOSA-N	1	1	357.502	2.499	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1	ZINC000066638899	541352175	/nfs/dbraw/zinc/35/21/75/541352175.db2.gz	JYCARHVTPMYXHF-GOSISDBHSA-N	1	1	368.481	2.314	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1	ZINC000067401007	541457943	/nfs/dbraw/zinc/45/79/43/541457943.db2.gz	ROWMRMKDIABODT-KRWDZBQOSA-N	1	1	365.861	2.097	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000067978825	541535247	/nfs/dbraw/zinc/53/52/47/541535247.db2.gz	YCUHUKDXJJXGTE-AWEZNQCLSA-N	1	1	360.483	2.038	20	30		FEEDMO
CC(=O)N(C)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000068576879	541611434	/nfs/dbraw/zinc/61/14/34/541611434.db2.gz	FAYUMQBULDDNBK-GFCCVEGCSA-N	1	1	362.861	2.481	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1	ZINC000070975973	541755907	/nfs/dbraw/zinc/75/59/07/541755907.db2.gz	ZEBYNLXFEZSEDR-GOSISDBHSA-N	1	1	370.453	2.029	20	30		FEEDMO
COCCOC[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000072796178	541865482	/nfs/dbraw/zinc/86/54/82/541865482.db2.gz	XITVHOKQXMJOIA-CYBMUJFWSA-N	1	1	351.834	2.135	20	30		FEEDMO
COCCOC[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000072796178	541865486	/nfs/dbraw/zinc/86/54/86/541865486.db2.gz	XITVHOKQXMJOIA-CYBMUJFWSA-N	1	1	351.834	2.135	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1	ZINC000073107868	541919037	/nfs/dbraw/zinc/91/90/37/541919037.db2.gz	LDJLWXRVXVAMFS-JXFKEZNVSA-N	1	1	356.470	2.392	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1	ZINC000073107868	541919041	/nfs/dbraw/zinc/91/90/41/541919041.db2.gz	LDJLWXRVXVAMFS-JXFKEZNVSA-N	1	1	356.470	2.392	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)cc1	ZINC000073109740	541920142	/nfs/dbraw/zinc/92/01/42/541920142.db2.gz	YEFUQZGVRSMSPM-UHFFFAOYSA-N	1	1	362.393	2.445	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)CCCCC1	ZINC000076396360	542273047	/nfs/dbraw/zinc/27/30/47/542273047.db2.gz	CAPHYQIOMCFSSO-MRXNPFEDSA-N	1	1	366.469	2.251	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)CCCCC1	ZINC000076396360	542273052	/nfs/dbraw/zinc/27/30/52/542273052.db2.gz	CAPHYQIOMCFSSO-MRXNPFEDSA-N	1	1	366.469	2.251	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000076673429	542311055	/nfs/dbraw/zinc/31/10/55/542311055.db2.gz	LVAQQQPYFUOOQH-MRXNPFEDSA-N	1	1	372.469	2.108	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2	ZINC000077381939	542375522	/nfs/dbraw/zinc/37/55/22/542375522.db2.gz	GRLCTOOHRSFJSE-INIZCTEOSA-N	1	1	354.410	2.208	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2	ZINC000077381939	542375526	/nfs/dbraw/zinc/37/55/26/542375526.db2.gz	GRLCTOOHRSFJSE-INIZCTEOSA-N	1	1	354.410	2.208	20	30		FEEDMO
CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(C(=O)N(C)C)cc1	ZINC000077383300	542375612	/nfs/dbraw/zinc/37/56/12/542375612.db2.gz	XGXOCHBWFQEKLN-HXUWFJFHSA-N	1	1	356.470	2.019	20	30		FEEDMO
CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccc(C(=O)N(C)C)cc1	ZINC000077383300	542375614	/nfs/dbraw/zinc/37/56/14/542375614.db2.gz	XGXOCHBWFQEKLN-HXUWFJFHSA-N	1	1	356.470	2.019	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC000077466339	542385108	/nfs/dbraw/zinc/38/51/08/542385108.db2.gz	HIRFMYXFJALHGT-CABCVRRESA-N	1	1	361.515	2.306	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccsc1	ZINC000077538813	542394503	/nfs/dbraw/zinc/39/45/03/542394503.db2.gz	KRBLOVMHYJKRNT-HNNXBMFYSA-N	1	1	360.414	2.116	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(F)cc1	ZINC000079281138	542509856	/nfs/dbraw/zinc/50/98/56/542509856.db2.gz	WUBSGBDJGQPWGM-GOSISDBHSA-N	1	1	361.442	2.420	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C	ZINC000081624852	542668946	/nfs/dbraw/zinc/66/89/46/542668946.db2.gz	RFVVGWOOMFMOJP-BLLLJJGKSA-N	1	1	362.499	2.366	20	30		FEEDMO
C=CCNc1ncc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)s1	ZINC000089961338	542778009	/nfs/dbraw/zinc/77/80/09/542778009.db2.gz	ODCPEICPFKIVAI-CVEARBPZSA-N	1	1	372.494	2.106	20	30		FEEDMO
C=CCNc1ncc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)s1	ZINC000089961338	542778012	/nfs/dbraw/zinc/77/80/12/542778012.db2.gz	ODCPEICPFKIVAI-CVEARBPZSA-N	1	1	372.494	2.106	20	30		FEEDMO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)n1	ZINC000091194209	542797693	/nfs/dbraw/zinc/79/76/93/542797693.db2.gz	YLQBJBYIFHWLII-HNNXBMFYSA-N	1	1	374.489	2.045	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000092217300	542849068	/nfs/dbraw/zinc/84/90/68/542849068.db2.gz	NOBXMGIEENOMRX-CGZBRXJRSA-N	1	1	357.458	2.037	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1ccccc1	ZINC000092616956	542875452	/nfs/dbraw/zinc/87/54/52/542875452.db2.gz	ZTRHMMHNPGBFQJ-FQEVSTJZSA-N	1	1	354.498	2.367	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1ccccc1	ZINC000092616956	542875455	/nfs/dbraw/zinc/87/54/55/542875455.db2.gz	ZTRHMMHNPGBFQJ-FQEVSTJZSA-N	1	1	354.498	2.367	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1	ZINC000093912210	542945583	/nfs/dbraw/zinc/94/55/83/542945583.db2.gz	RUUAPBKNWVYPEW-UHFFFAOYSA-N	1	1	354.863	2.145	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CSc1ccc(C#N)cc1	ZINC000103206509	543097176	/nfs/dbraw/zinc/09/71/76/543097176.db2.gz	RUCLHHNVNBEZDG-UHFFFAOYSA-N	1	1	360.527	2.135	20	30		FEEDMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CSc1ccc(C#N)cc1	ZINC000103206509	543097177	/nfs/dbraw/zinc/09/71/77/543097177.db2.gz	RUCLHHNVNBEZDG-UHFFFAOYSA-N	1	1	360.527	2.135	20	30		FEEDMO
COc1ccccc1C[N@@H+](CCO)CCC(=O)Nc1ccccc1C#N	ZINC000103482422	543111965	/nfs/dbraw/zinc/11/19/65/543111965.db2.gz	RKCGSFVMLLKKCA-UHFFFAOYSA-N	1	1	353.422	2.390	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104714247	543138667	/nfs/dbraw/zinc/13/86/67/543138667.db2.gz	OUSZRWSFJGMKRC-CQSZACIVSA-N	1	1	372.469	2.414	20	30		FEEDMO
CCOCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000106106114	543199207	/nfs/dbraw/zinc/19/92/07/543199207.db2.gz	UPYPMBVUGJDNPM-CQSZACIVSA-N	1	1	364.877	2.193	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@@H]1CCCN1c1cccnn1	ZINC000106087252	543193810	/nfs/dbraw/zinc/19/38/10/543193810.db2.gz	BDZULLLLLCDDHQ-SJORKVTESA-N	1	1	370.501	2.108	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1	ZINC000108607331	543297131	/nfs/dbraw/zinc/29/71/31/543297131.db2.gz	MXAMGUJCUQWBDY-CQSZACIVSA-N	1	1	372.494	2.231	20	30		FEEDMO
CCCC[N@H+](CCOC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000109333796	543321471	/nfs/dbraw/zinc/32/14/71/543321471.db2.gz	ZDIHYOIJNTUCSF-UHFFFAOYSA-N	1	1	355.442	2.431	20	30		FEEDMO
CCCC[N@@H+](CCOC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000109333796	543321473	/nfs/dbraw/zinc/32/14/73/543321473.db2.gz	ZDIHYOIJNTUCSF-UHFFFAOYSA-N	1	1	355.442	2.431	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CCC[NH+]1CCN(C)CC1	ZINC000110866699	543371334	/nfs/dbraw/zinc/37/13/34/543371334.db2.gz	QEQUGNHSUNWSME-FQEVSTJZSA-N	1	1	372.513	2.058	20	30		FEEDMO
CCc1nc(C[NH+]2CCC(CNC(=O)CSCC#N)CC2)cs1	ZINC000111043345	543379655	/nfs/dbraw/zinc/37/96/55/543379655.db2.gz	GJBCHEDFEPJWJT-UHFFFAOYSA-N	1	1	352.529	2.290	20	30		FEEDMO
COc1cccc(NC2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1	ZINC000111304580	543394597	/nfs/dbraw/zinc/39/45/97/543394597.db2.gz	GZDXLNKARHVMRK-FQEVSTJZSA-N	1	1	356.470	2.380	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCn1cccn1	ZINC000111283007	543392362	/nfs/dbraw/zinc/39/23/62/543392362.db2.gz	UCSUDMCTLOAAIA-INIZCTEOSA-N	1	1	355.442	2.159	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCn1cccn1	ZINC000111283007	543392364	/nfs/dbraw/zinc/39/23/64/543392364.db2.gz	UCSUDMCTLOAAIA-INIZCTEOSA-N	1	1	355.442	2.159	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000111489024	543403582	/nfs/dbraw/zinc/40/35/82/543403582.db2.gz	XOARIXORTNNJCV-SFHVURJKSA-N	1	1	370.501	2.096	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(F)cc2F)CC1	ZINC000120796150	543685097	/nfs/dbraw/zinc/68/50/97/543685097.db2.gz	JSOOIJKCKQGEGN-GFCCVEGCSA-N	1	1	367.396	2.208	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2CC(N)=O)c1	ZINC000120572186	543682346	/nfs/dbraw/zinc/68/23/46/543682346.db2.gz	YQVVJXLQSNOKOQ-QGZVFWFLSA-N	1	1	356.470	2.280	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1	ZINC000122916731	543731529	/nfs/dbraw/zinc/73/15/29/543731529.db2.gz	HIQMVCCTWFCYST-DNVCBOLYSA-N	1	1	362.433	2.276	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000121971820	543702116	/nfs/dbraw/zinc/70/21/16/543702116.db2.gz	VRKRVDWZZOHGTM-MAUKXSAKSA-N	1	1	368.481	2.369	20	30		FEEDMO
C=CC1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1	ZINC000125058286	543858757	/nfs/dbraw/zinc/85/87/57/543858757.db2.gz	BIEMWSHBECJOJG-INIZCTEOSA-N	1	1	371.481	2.443	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[N@@H+]1C1CC1	ZINC000126087602	543916841	/nfs/dbraw/zinc/91/68/41/543916841.db2.gz	HINNNGHCFVDQOY-GXFFZTMASA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[N@H+]1C1CC1	ZINC000126087602	543916843	/nfs/dbraw/zinc/91/68/43/543916843.db2.gz	HINNNGHCFVDQOY-GXFFZTMASA-N	1	1	373.400	2.481	20	30		FEEDMO
C#CCOc1ccc(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1	ZINC000129183019	544095957	/nfs/dbraw/zinc/09/59/57/544095957.db2.gz	XHQJVMMKIAWVHT-HNNXBMFYSA-N	1	1	352.398	2.354	20	30		FEEDMO
C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000132608257	544237553	/nfs/dbraw/zinc/23/75/53/544237553.db2.gz	HOVBVHQTYTWLRQ-INIZCTEOSA-N	1	1	359.426	2.379	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000133920005	544287785	/nfs/dbraw/zinc/28/77/85/544287785.db2.gz	PUPZNEPVBKLYOC-OAHLLOKOSA-N	1	1	356.470	2.226	20	30		FEEDMO
C=C[C@@H](CC(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1)c1ccccc1	ZINC000134672492	544317644	/nfs/dbraw/zinc/31/76/44/544317644.db2.gz	SEWGBYJTDKQDRB-ICSRJNTNSA-N	1	1	369.509	2.359	20	30		FEEDMO
COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1C#N	ZINC000135181579	544337395	/nfs/dbraw/zinc/33/73/95/544337395.db2.gz	ACLJUFQTIIYVDX-CYBMUJFWSA-N	1	1	359.451	2.407	20	30		FEEDMO
CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000135344987	544342999	/nfs/dbraw/zinc/34/29/99/544342999.db2.gz	QFVMOHCLSWAJJF-YJBOKZPZSA-N	1	1	373.501	2.404	20	30		FEEDMO
N#Cc1ccccc1N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000137028404	544383499	/nfs/dbraw/zinc/38/34/99/544383499.db2.gz	VWXQOHYUDGOTSS-IBGZPJMESA-N	1	1	352.394	2.322	20	30		FEEDMO
CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3c(F)cc(C#N)cc3F)C2)CC1	ZINC000150982620	544492859	/nfs/dbraw/zinc/49/28/59/544492859.db2.gz	PRBVYSNPAFKWAL-OAHLLOKOSA-N	1	1	362.424	2.079	20	30		FEEDMO
C[C@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)C[N@H+]1Cc1ccccc1	ZINC000152001497	544605296	/nfs/dbraw/zinc/60/52/96/544605296.db2.gz	PJPRNBVXXODUSS-DOTOQJQBSA-N	1	1	370.478	2.142	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1	ZINC000152068988	544610547	/nfs/dbraw/zinc/61/05/47/544610547.db2.gz	FFEIPAHLSBHBGO-INIZCTEOSA-N	1	1	356.470	2.467	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(CC)c(S(C)(=O)=O)c2)CC1	ZINC000152854324	544703166	/nfs/dbraw/zinc/70/31/66/544703166.db2.gz	ACCFZXVGXPHMAX-UHFFFAOYSA-N	1	1	364.511	2.423	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000152869898	544705432	/nfs/dbraw/zinc/70/54/32/544705432.db2.gz	KYOFAHJVGMECDP-OAHLLOKOSA-N	1	1	362.424	2.079	20	30		FEEDMO
C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153267783	544753674	/nfs/dbraw/zinc/75/36/74/544753674.db2.gz	WNQRDVAWHWAXRU-KBPBESRZSA-N	1	1	366.469	2.094	20	30		FEEDMO
C[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O	ZINC000189907124	328175165	/nfs/dbraw/zinc/17/51/65/328175165.db2.gz	FQORUBUQLSXFCH-INIZCTEOSA-N	1	1	367.497	2.236	20	30		FEEDMO
CC(C)C[C@]1(CO)CCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000191667836	328276622	/nfs/dbraw/zinc/27/66/22/328276622.db2.gz	QOXZOPLQNBILIT-SFHVURJKSA-N	1	1	350.484	2.205	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000192968843	328349437	/nfs/dbraw/zinc/34/94/37/328349437.db2.gz	LYVTTWDUFXFOJQ-HNNXBMFYSA-N	1	1	373.501	2.290	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CSCCS3)CC2)cc1	ZINC000192945318	328348321	/nfs/dbraw/zinc/34/83/21/328348321.db2.gz	GKJAJMCMENBYHR-KRWDZBQOSA-N	1	1	361.536	2.441	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CSCCS3)CC2)cc1	ZINC000192945318	328348323	/nfs/dbraw/zinc/34/83/23/328348323.db2.gz	GKJAJMCMENBYHR-KRWDZBQOSA-N	1	1	361.536	2.441	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000192980767	328350440	/nfs/dbraw/zinc/35/04/40/328350440.db2.gz	IVJUZYSHMZPGRS-HXUWFJFHSA-N	1	1	369.490	2.500	20	30		FEEDMO
CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc(C#N)c2)c1	ZINC000077821023	325019092	/nfs/dbraw/zinc/01/90/92/325019092.db2.gz	VCYBTRVIPWHEIE-UHFFFAOYSA-N	1	1	350.422	2.265	20	30		FEEDMO
CC(C)c1ccccc1OC[C@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943777	325344611	/nfs/dbraw/zinc/34/46/11/325344611.db2.gz	GWFKRKDBPKTPOK-OAHLLOKOSA-N	1	1	371.485	2.291	20	30		FEEDMO
Cn1cc[nH+]c1C[C@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000090003637	325349597	/nfs/dbraw/zinc/34/95/97/325349597.db2.gz	FEXKRVCYBILRFT-QGZVFWFLSA-N	1	1	372.494	2.020	20	30		FEEDMO
CCCC[N@@H+](C)CC1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1	ZINC000117985416	326076122	/nfs/dbraw/zinc/07/61/22/326076122.db2.gz	FVFQTYQMAWJODM-UHFFFAOYSA-N	1	1	370.497	2.259	20	30		FEEDMO
C[C@H](c1cccnc1)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000118836559	326106770	/nfs/dbraw/zinc/10/67/70/326106770.db2.gz	YIYQRFVZDSLQCY-YLJYHZDGSA-N	1	1	366.465	2.072	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1C#N	ZINC000119441450	326162734	/nfs/dbraw/zinc/16/27/34/326162734.db2.gz	LFGVRBJVFQDEAE-PBHICJAKSA-N	1	1	372.469	2.083	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000119738077	326193433	/nfs/dbraw/zinc/19/34/33/326193433.db2.gz	BQLFPWGLVRFIOC-ZDUSSCGKSA-N	1	1	362.861	2.244	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(c2ccccc2Cl)C1=O	ZINC000121377094	326333593	/nfs/dbraw/zinc/33/35/93/326333593.db2.gz	ILGJIYLCFIXKDX-MRXNPFEDSA-N	1	1	372.860	2.187	20	30		FEEDMO
CC[N@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1	ZINC000121415835	326336916	/nfs/dbraw/zinc/33/69/16/326336916.db2.gz	KSZFAZXAAPJERX-UHFFFAOYSA-N	1	1	372.444	2.417	20	30		FEEDMO
CC[N@@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1	ZINC000121415835	326336917	/nfs/dbraw/zinc/33/69/17/326336917.db2.gz	KSZFAZXAAPJERX-UHFFFAOYSA-N	1	1	372.444	2.417	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C4CCOCC4)CC3)C2=O)cc1	ZINC000130129380	326551773	/nfs/dbraw/zinc/55/17/73/326551773.db2.gz	CWBKIXWKBLGSHZ-IBGZPJMESA-N	1	1	367.449	2.329	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CNc2cccc(C#N)c2)C[C@@H](C)O1	ZINC000154942184	326773054	/nfs/dbraw/zinc/77/30/54/326773054.db2.gz	OJWBXZXBSUEUNV-MDZRGWNJSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1	ZINC000162367612	327023910	/nfs/dbraw/zinc/02/39/10/327023910.db2.gz	UWSWFQFMVLZNTM-BEFAXECRSA-N	1	1	355.463	2.357	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1	ZINC000172079697	327179857	/nfs/dbraw/zinc/17/98/57/327179857.db2.gz	WWRDHAMQQFVXAS-VQIMIIECSA-N	1	1	358.486	2.494	20	30		FEEDMO
COC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1	ZINC000172877009	327224292	/nfs/dbraw/zinc/22/42/92/327224292.db2.gz	MWLRHBJFAGVJEI-ZDUSSCGKSA-N	1	1	363.483	2.174	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CCO1	ZINC000172877009	327224293	/nfs/dbraw/zinc/22/42/93/327224293.db2.gz	MWLRHBJFAGVJEI-ZDUSSCGKSA-N	1	1	363.483	2.174	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000173586878	327269139	/nfs/dbraw/zinc/26/91/39/327269139.db2.gz	CCVKKICJOUMSKB-UHFFFAOYSA-N	1	1	374.485	2.079	20	30		FEEDMO
C[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C2	ZINC000173817376	327286334	/nfs/dbraw/zinc/28/63/34/327286334.db2.gz	IBZBQDXCMUKQID-UONOGXRCSA-N	1	1	373.400	2.434	20	30		FEEDMO
CCC(CC)[C@@H](CNC(=O)COc1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000248231718	328712376	/nfs/dbraw/zinc/71/23/76/328712376.db2.gz	AONQNQJXEOYLEE-LJQANCHMSA-N	1	1	359.470	2.190	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(CCn3cnc4ccccc4c3=O)CC2)cc1	ZINC000265330826	329115075	/nfs/dbraw/zinc/11/50/75/329115075.db2.gz	MNCPCODFSHLXLI-UHFFFAOYSA-N	1	1	373.460	2.086	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1ccc(C#N)cc1	ZINC000265359133	329118570	/nfs/dbraw/zinc/11/85/70/329118570.db2.gz	APFMKSRKAXOKTP-MRXNPFEDSA-N	1	1	364.453	2.285	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1cccc(C#N)c1	ZINC000265377339	329120413	/nfs/dbraw/zinc/12/04/13/329120413.db2.gz	DZFOHAXCJWVIQY-INIZCTEOSA-N	1	1	364.453	2.285	20	30		FEEDMO
Cc1cnc(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)s1	ZINC000265410966	329124075	/nfs/dbraw/zinc/12/40/75/329124075.db2.gz	DZEUWVMGWUIPSN-UHFFFAOYSA-N	1	1	355.467	2.474	20	30		FEEDMO
COC(=O)[C@@]1(F)CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000267865768	329364116	/nfs/dbraw/zinc/36/41/16/329364116.db2.gz	YWTLQIAJKIELTK-MRXNPFEDSA-N	1	1	353.781	2.127	20	30		FEEDMO
COC(=O)[C@@]1(F)CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000267865768	329364117	/nfs/dbraw/zinc/36/41/17/329364117.db2.gz	YWTLQIAJKIELTK-MRXNPFEDSA-N	1	1	353.781	2.127	20	30		FEEDMO
N#Cc1ccnc(N2CC[NH+](CCOc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000268443786	329420322	/nfs/dbraw/zinc/42/03/22/329420322.db2.gz	DIFZDFWCLUHRBE-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1	ZINC000276415348	330149740	/nfs/dbraw/zinc/14/97/40/330149740.db2.gz	JBHRHMMEJDIWDQ-XJKSGUPXSA-N	1	1	359.474	2.012	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC2)o1	ZINC000276470129	330155409	/nfs/dbraw/zinc/15/54/09/330155409.db2.gz	QFAJOBCYHKUTQY-SJLPKXTDSA-N	1	1	371.485	2.014	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC[C@H]21	ZINC000286427321	330184231	/nfs/dbraw/zinc/18/42/31/330184231.db2.gz	BLXVYNDVRREOCB-ZIFCJYIRSA-N	1	1	370.472	2.466	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1	ZINC000371456146	330243907	/nfs/dbraw/zinc/24/39/07/330243907.db2.gz	FSMFZMWSQUKCNF-ZWKOTPCHSA-N	1	1	370.453	2.267	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCn1cc(Br)cn1	ZINC000554749080	674334704	/nfs/dbraw/zinc/33/47/04/674334704.db2.gz	KGDOEHPWOYLVLA-ZDUSSCGKSA-N	1	1	357.296	2.391	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCn1cc(Br)cn1	ZINC000554749080	674334706	/nfs/dbraw/zinc/33/47/06/674334706.db2.gz	KGDOEHPWOYLVLA-ZDUSSCGKSA-N	1	1	357.296	2.391	20	30		FEEDMO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[NH+]2CCCC2)o1	ZINC000102101538	518189704	/nfs/dbraw/zinc/18/97/04/518189704.db2.gz	XMJBIRNKSAVXIE-KRWDZBQOSA-N	1	1	366.421	2.352	20	30		FEEDMO
Cc1csc(NC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000026912966	519145044	/nfs/dbraw/zinc/14/50/44/519145044.db2.gz	YXNZFLXSCZCIHX-UHFFFAOYSA-N	1	1	369.494	2.470	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCOc1ccc(Cl)c(F)c1	ZINC000555445952	674361901	/nfs/dbraw/zinc/36/19/01/674361901.db2.gz	SCQAPDMPJMZESD-UHFFFAOYSA-N	1	1	351.813	2.599	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(=O)Nc1cccc(F)c1	ZINC000155551320	545541431	/nfs/dbraw/zinc/54/14/31/545541431.db2.gz	CAQGUSCXQZJMCU-AWEZNQCLSA-N	1	1	368.416	2.027	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)Nc1cccc(F)c1	ZINC000155551320	545541432	/nfs/dbraw/zinc/54/14/32/545541432.db2.gz	CAQGUSCXQZJMCU-AWEZNQCLSA-N	1	1	368.416	2.027	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000155928115	545584390	/nfs/dbraw/zinc/58/43/90/545584390.db2.gz	NRJRRZONLOXIJR-UEXGIBASSA-N	1	1	356.514	2.082	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@@H](C)O)c1C#N	ZINC000156356280	545620603	/nfs/dbraw/zinc/62/06/03/545620603.db2.gz	BUYKOEVRFPWMCT-GFCCVEGCSA-N	1	1	358.417	2.356	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@@H](C)O)c1C#N	ZINC000156356280	545620605	/nfs/dbraw/zinc/62/06/05/545620605.db2.gz	BUYKOEVRFPWMCT-GFCCVEGCSA-N	1	1	358.417	2.356	20	30		FEEDMO
N#Cc1cccc(OCCC[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1	ZINC000156590708	545638293	/nfs/dbraw/zinc/63/82/93/545638293.db2.gz	HBTITVTTYZKSME-FQEVSTJZSA-N	1	1	371.481	2.431	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000156711814	545650542	/nfs/dbraw/zinc/65/05/42/545650542.db2.gz	PJCFKJAZSHFHMA-ZDUSSCGKSA-N	1	1	353.463	2.486	20	30		FEEDMO
C[C@@H](O)C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1	ZINC000156725697	545652829	/nfs/dbraw/zinc/65/28/29/545652829.db2.gz	HLSAGCCPGXWKGN-OAHLLOKOSA-N	1	1	350.484	2.347	20	30		FEEDMO
N#CC1(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CCSCC1	ZINC000162307297	546138863	/nfs/dbraw/zinc/13/88/63/546138863.db2.gz	ZISPGCIEZQLNKG-QGZVFWFLSA-N	1	1	359.495	2.183	20	30		FEEDMO
N#CC1(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CCSCC1	ZINC000162307297	546138871	/nfs/dbraw/zinc/13/88/71/546138871.db2.gz	ZISPGCIEZQLNKG-QGZVFWFLSA-N	1	1	359.495	2.183	20	30		FEEDMO
N#CC1(CS(=O)(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1	ZINC000165114509	546151783	/nfs/dbraw/zinc/15/17/83/546151783.db2.gz	LHLUENQNXOQESL-UHFFFAOYSA-N	1	1	361.511	2.260	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)CC1(C#N)CC1	ZINC000166038944	546154373	/nfs/dbraw/zinc/15/43/73/546154373.db2.gz	IYKHRSCMNBZQKQ-BYICEURKSA-N	1	1	361.511	2.366	20	30		FEEDMO
N#Cc1ccccc1CSCCNC(=O)CCCC[NH+]1CCOCC1	ZINC000170682324	546169782	/nfs/dbraw/zinc/16/97/82/546169782.db2.gz	DKEOFTCHHPYNOW-UHFFFAOYSA-N	1	1	361.511	2.410	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccc(C#N)cc2F)C[C@@H](C)O1	ZINC000170935028	546183474	/nfs/dbraw/zinc/18/34/74/546183474.db2.gz	GRBFXPHVJXFLLN-ZIAGYGMSSA-N	1	1	362.449	2.384	20	30		FEEDMO
CCOCCC[NH+]=C(NCc1cn[nH]c1C)NCc1ccc(OC)cc1	ZINC000171145622	546193201	/nfs/dbraw/zinc/19/32/01/546193201.db2.gz	WELFBQMJQVITHW-UHFFFAOYSA-N	1	1	359.474	2.389	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(OCCOCC)cc2)CC1	ZINC000171536466	546213100	/nfs/dbraw/zinc/21/31/00/546213100.db2.gz	CBUQWABYPDWFBP-UHFFFAOYSA-N	1	1	368.499	2.031	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)C1(C#N)CCCCC1	ZINC000171623216	546215873	/nfs/dbraw/zinc/21/58/73/546215873.db2.gz	IMRXOMRYPRAQBG-MRXNPFEDSA-N	1	1	370.501	2.089	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)C1(C#N)CCCCC1	ZINC000171623216	546215878	/nfs/dbraw/zinc/21/58/78/546215878.db2.gz	IMRXOMRYPRAQBG-MRXNPFEDSA-N	1	1	370.501	2.089	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000171623656	546216664	/nfs/dbraw/zinc/21/66/64/546216664.db2.gz	WASXYFCUGWFFKF-CVEARBPZSA-N	1	1	370.501	2.135	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000171623656	546216669	/nfs/dbraw/zinc/21/66/69/546216669.db2.gz	WASXYFCUGWFFKF-CVEARBPZSA-N	1	1	370.501	2.135	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)NCCCCC#N)cc2)CC1	ZINC000171739820	546223202	/nfs/dbraw/zinc/22/32/02/546223202.db2.gz	ZTHVUNUWTQQWBT-UHFFFAOYSA-N	1	1	357.502	2.317	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](OCCO)C2)c1	ZINC000172296423	546244462	/nfs/dbraw/zinc/24/44/62/546244462.db2.gz	PPLJHAMMCZFXLE-LJQANCHMSA-N	1	1	359.470	2.023	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](OCCO)C2)c1	ZINC000172296423	546244468	/nfs/dbraw/zinc/24/44/68/546244468.db2.gz	PPLJHAMMCZFXLE-LJQANCHMSA-N	1	1	359.470	2.023	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](OCCO)C2)cc1C	ZINC000172299325	546245522	/nfs/dbraw/zinc/24/55/22/546245522.db2.gz	RRJGOWYFPPRUJN-LJQANCHMSA-N	1	1	359.470	2.023	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](OCCO)C2)cc1C	ZINC000172299325	546245527	/nfs/dbraw/zinc/24/55/27/546245527.db2.gz	RRJGOWYFPPRUJN-LJQANCHMSA-N	1	1	359.470	2.023	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000173728547	546285809	/nfs/dbraw/zinc/28/58/09/546285809.db2.gz	LIXDBZNHXIHDOM-HNNXBMFYSA-N	1	1	356.470	2.226	20	30		FEEDMO
C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCO[C@H](C#N)C1	ZINC000175454662	546311319	/nfs/dbraw/zinc/31/13/19/546311319.db2.gz	BTKISHALFRJOAJ-LJQANCHMSA-N	1	1	368.437	2.346	20	30		FEEDMO
C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCO[C@H](C#N)C1	ZINC000175454662	546311324	/nfs/dbraw/zinc/31/13/24/546311324.db2.gz	BTKISHALFRJOAJ-LJQANCHMSA-N	1	1	368.437	2.346	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000175948783	546377899	/nfs/dbraw/zinc/37/78/99/546377899.db2.gz	KNJCISAEZHIPBJ-OKILXGFUSA-N	1	1	360.433	2.120	20	30		FEEDMO
CC[C@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C(N)=O	ZINC000177130632	546550813	/nfs/dbraw/zinc/55/08/13/546550813.db2.gz	NFOKHPHGNUAYBQ-FQEVSTJZSA-N	1	1	367.453	2.148	20	30		FEEDMO
CC[C@@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)C(N)=O	ZINC000177130646	546551358	/nfs/dbraw/zinc/55/13/58/546551358.db2.gz	NFOKHPHGNUAYBQ-HXUWFJFHSA-N	1	1	367.453	2.148	20	30		FEEDMO
N#CCCN(CC(F)(F)F)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000177626344	546655714	/nfs/dbraw/zinc/65/57/14/546655714.db2.gz	CWQVJHUTYYAZEN-HNNXBMFYSA-N	1	1	355.360	2.192	20	30		FEEDMO
N#CCCN(CC(F)(F)F)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000177626344	546655719	/nfs/dbraw/zinc/65/57/19/546655719.db2.gz	CWQVJHUTYYAZEN-HNNXBMFYSA-N	1	1	355.360	2.192	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1C(F)(F)F	ZINC000177628866	546656203	/nfs/dbraw/zinc/65/62/03/546656203.db2.gz	XVLAFCLERAADMZ-NSHDSACASA-N	1	1	373.400	2.340	20	30		FEEDMO
CC(=O)N[C@H](C)C1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000481153715	561226640	/nfs/dbraw/zinc/22/66/40/561226640.db2.gz	KEVVZGBWKAPEMZ-MRXNPFEDSA-N	1	1	356.470	2.170	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000180394047	547099404	/nfs/dbraw/zinc/09/94/04/547099404.db2.gz	FPKZKTAAEMUXBX-UHFFFAOYSA-N	1	1	354.498	2.389	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000180420612	547105314	/nfs/dbraw/zinc/10/53/14/547105314.db2.gz	YKDAMHFPZLMWBY-KRWDZBQOSA-N	1	1	360.506	2.033	20	30		FEEDMO
C[NH+]1CCN([C@H]2CCCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1	ZINC000180478105	547114964	/nfs/dbraw/zinc/11/49/64/547114964.db2.gz	VBHBXPMSENJDQI-FQEVSTJZSA-N	1	1	366.509	2.484	20	30		FEEDMO
C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1	ZINC000180478088	547115375	/nfs/dbraw/zinc/11/53/75/547115375.db2.gz	VBHBXPMSENJDQI-HXUWFJFHSA-N	1	1	366.509	2.484	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c1	ZINC000483308921	561273821	/nfs/dbraw/zinc/27/38/21/561273821.db2.gz	RCJASRXGGPSMQX-IEBWSBKVSA-N	1	1	359.470	2.022	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c1	ZINC000483308921	561273822	/nfs/dbraw/zinc/27/38/22/561273822.db2.gz	RCJASRXGGPSMQX-IEBWSBKVSA-N	1	1	359.470	2.022	20	30		FEEDMO
C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCCC[C@@H]1O	ZINC000181442409	547315952	/nfs/dbraw/zinc/31/59/52/547315952.db2.gz	DUWXASXDPMDEKR-YJBOKZPZSA-N	1	1	367.453	2.165	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](CO)c1ccccc1	ZINC000182926138	547574724	/nfs/dbraw/zinc/57/47/24/547574724.db2.gz	NCKSIRFNKJHSLR-GOSISDBHSA-N	1	1	361.405	2.006	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1	ZINC000183650963	547695440	/nfs/dbraw/zinc/69/54/40/547695440.db2.gz	ULKNMRWHQWESSE-UHFFFAOYSA-N	1	1	373.862	2.485	20	30		FEEDMO
CC1([C@@H]2CCC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)OCCO1	ZINC000183910509	547737584	/nfs/dbraw/zinc/73/75/84/547737584.db2.gz	MXAVHLDXSLWOJW-SJLPKXTDSA-N	1	1	355.438	2.139	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC[C@H](C)C1	ZINC000484870198	561307406	/nfs/dbraw/zinc/30/74/06/561307406.db2.gz	ZLAMJYUTOIRLJZ-RDJZCZTQSA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC[C@H](C)C1	ZINC000484870198	561307407	/nfs/dbraw/zinc/30/74/07/561307407.db2.gz	ZLAMJYUTOIRLJZ-RDJZCZTQSA-N	1	1	350.484	2.469	20	30		FEEDMO
C=CC[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)CC1CCCCC1	ZINC000485010609	561310360	/nfs/dbraw/zinc/31/03/60/561310360.db2.gz	UBPPGHABNVEYII-UHFFFAOYSA-N	1	1	351.535	2.282	20	30		FEEDMO
C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1	ZINC000185472856	547990201	/nfs/dbraw/zinc/99/02/01/547990201.db2.gz	DVBSRQLDKMMMGQ-MAUKXSAKSA-N	1	1	363.421	2.229	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC(Cn3cncn3)CC2)cc1Cl	ZINC000186211235	548100324	/nfs/dbraw/zinc/10/03/24/548100324.db2.gz	UTCMAFVKTUJNGG-UHFFFAOYSA-N	1	1	358.833	2.154	20	30		FEEDMO
C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000486560357	561350835	/nfs/dbraw/zinc/35/08/35/561350835.db2.gz	NWCDWHKCJFVKEL-VGOFRKELSA-N	1	1	363.461	2.415	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	ZINC000245385386	548903400	/nfs/dbraw/zinc/90/34/00/548903400.db2.gz	CIIRGKNSCHUOQP-UKRRQHHQSA-N	1	1	356.401	2.193	20	30		FEEDMO
N#Cc1csc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c1	ZINC000245572922	548949301	/nfs/dbraw/zinc/94/93/01/548949301.db2.gz	CRMOJTCDNGTOFI-SJORKVTESA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1csc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1	ZINC000245572922	548949306	/nfs/dbraw/zinc/94/93/06/548949306.db2.gz	CRMOJTCDNGTOFI-SJORKVTESA-N	1	1	355.463	2.233	20	30		FEEDMO
CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000246271663	549093286	/nfs/dbraw/zinc/09/32/86/549093286.db2.gz	ANQSZKKXQITITQ-WMLDXEAASA-N	1	1	356.470	2.271	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1	ZINC000246778668	549210050	/nfs/dbraw/zinc/21/00/50/549210050.db2.gz	PWVZQKLQHQLJRN-QUCCMNQESA-N	1	1	369.513	2.138	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OCCO)C1	ZINC000246851149	549226949	/nfs/dbraw/zinc/22/69/49/549226949.db2.gz	QVAUEGRSLKZVBO-HZPDHXFCSA-N	1	1	352.500	2.125	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](OCCO)C1	ZINC000246851149	549226954	/nfs/dbraw/zinc/22/69/54/549226954.db2.gz	QVAUEGRSLKZVBO-HZPDHXFCSA-N	1	1	352.500	2.125	20	30		FEEDMO
N#CCc1cccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1	ZINC000246850844	549227806	/nfs/dbraw/zinc/22/78/06/549227806.db2.gz	UAKHJLJEPZRDOF-SFTDATJTSA-N	1	1	363.461	2.365	20	30		FEEDMO
C=CCn1cccc1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1	ZINC000488929798	561399795	/nfs/dbraw/zinc/39/97/95/561399795.db2.gz	DHKVVEDOMHDHFE-QGZVFWFLSA-N	1	1	353.470	2.010	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@H]3CCCC[C@H]3C)CC2)o1	ZINC000248892972	549523141	/nfs/dbraw/zinc/52/31/41/549523141.db2.gz	FGGVTZAXEBVCQR-PBHICJAKSA-N	1	1	359.474	2.014	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1	ZINC000249172071	549564094	/nfs/dbraw/zinc/56/40/94/549564094.db2.gz	LKIDJHDABLENML-CRAIPNDOSA-N	1	1	359.470	2.379	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cccc(F)c1C#N	ZINC000489757935	561418440	/nfs/dbraw/zinc/41/84/40/561418440.db2.gz	XZRMFFJBAKJDGL-OAHLLOKOSA-N	1	1	367.428	2.033	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1	ZINC000489770960	561418877	/nfs/dbraw/zinc/41/88/77/561418877.db2.gz	HIRWNLXQRWTYAK-ZDUSSCGKSA-N	1	1	371.407	2.380	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1	ZINC000249737487	549622630	/nfs/dbraw/zinc/62/26/30/549622630.db2.gz	WNPDSMMTTAQWGZ-JKSUJKDBSA-N	1	1	354.458	2.268	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO	ZINC000249953599	549636043	/nfs/dbraw/zinc/63/60/43/549636043.db2.gz	VLLCJDHLBZZNDL-PZJWPPBQSA-N	1	1	360.498	2.488	20	30		FEEDMO
CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000490704228	561437515	/nfs/dbraw/zinc/43/75/15/561437515.db2.gz	KLCIDHZEKOQLSP-RDJZCZTQSA-N	1	1	359.474	2.236	20	30		FEEDMO
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1sc2ccc(C#N)cc2c1C	ZINC000490720595	561437711	/nfs/dbraw/zinc/43/77/11/561437711.db2.gz	LUBBNAJVIZUQKK-AWEZNQCLSA-N	1	1	368.418	2.319	20	30		FEEDMO
COc1ccc(CNCCC[NH+]2CCC(O)CC2)cc1OCCCC#N	ZINC000263887804	549951623	/nfs/dbraw/zinc/95/16/23/549951623.db2.gz	KBPKMOKDVLGWQU-UHFFFAOYSA-N	1	1	361.486	2.314	20	30		FEEDMO
C=CCNC(=O)c1ccc(NCc2ccccc2C[NH+]2CCOCC2)nc1	ZINC000264885871	550002816	/nfs/dbraw/zinc/00/28/16/550002816.db2.gz	OYZPIXFLIJQSNR-UHFFFAOYSA-N	1	1	366.465	2.442	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)N(CC)[C@@H](C)CS(C)(=O)=O)C(C)C	ZINC000264890053	550002941	/nfs/dbraw/zinc/00/29/41/550002941.db2.gz	LGKHMTCZFGKXKQ-DLBZAZTESA-N	1	1	373.563	2.150	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C(C)C	ZINC000265118166	550006245	/nfs/dbraw/zinc/00/62/45/550006245.db2.gz	YRZBMDQXCFSHNY-GVDBMIGSSA-N	1	1	373.563	2.148	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cc(Cl)ccc2OCCOC)CC1	ZINC000267125981	550027655	/nfs/dbraw/zinc/02/76/55/550027655.db2.gz	FZMZICOBQBHSPV-UHFFFAOYSA-N	1	1	350.846	2.146	20	30		FEEDMO
C[N@@H+](CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1	ZINC000492268622	561450579	/nfs/dbraw/zinc/45/05/79/561450579.db2.gz	KEZKERYKVRLERZ-OAHLLOKOSA-N	1	1	359.449	2.060	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000269066367	550150547	/nfs/dbraw/zinc/15/05/47/550150547.db2.gz	CWMXBVMOOSMXJL-STQMWFEESA-N	1	1	362.861	2.387	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCc4n[nH]cc4C3)CC2)cc1	ZINC000270121128	550250398	/nfs/dbraw/zinc/25/03/98/550250398.db2.gz	JXXSQTPBDWZNKD-SFHVURJKSA-N	1	1	363.465	2.121	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCc4n[nH]cc4C3)CC2)cc1	ZINC000270121128	550250399	/nfs/dbraw/zinc/25/03/99/550250399.db2.gz	JXXSQTPBDWZNKD-SFHVURJKSA-N	1	1	363.465	2.121	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCC3(C2)OCCO3)c(OC)c1	ZINC000270478796	550275947	/nfs/dbraw/zinc/27/59/47/550275947.db2.gz	FGNSVOHZBFMTNS-KRWDZBQOSA-N	1	1	363.454	2.002	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC3(C2)OCCO3)c(OC)c1	ZINC000270478796	550275948	/nfs/dbraw/zinc/27/59/48/550275948.db2.gz	FGNSVOHZBFMTNS-KRWDZBQOSA-N	1	1	363.454	2.002	20	30		FEEDMO
CC(C)N1CC[NH+](C2CCN(C(=O)NCC#Cc3ccccc3)CC2)CC1	ZINC000270670993	550295295	/nfs/dbraw/zinc/29/52/95/550295295.db2.gz	XIGIAEWVJWGIEJ-UHFFFAOYSA-N	1	1	368.525	2.238	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1	ZINC000271269481	550359661	/nfs/dbraw/zinc/35/96/61/550359661.db2.gz	MEEZGBLPZKMGOF-APWZRJJASA-N	1	1	356.470	2.343	20	30		FEEDMO
C#CC[C@@H](NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C)c1ccccc1	ZINC000271696283	550396113	/nfs/dbraw/zinc/39/61/13/550396113.db2.gz	MQSGDPOLYYRMJO-FUHWJXTLSA-N	1	1	357.454	2.030	20	30		FEEDMO
C#CC[C@@H](NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C)c1ccccc1	ZINC000271696283	550396117	/nfs/dbraw/zinc/39/61/17/550396117.db2.gz	MQSGDPOLYYRMJO-FUHWJXTLSA-N	1	1	357.454	2.030	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1cccc(OCC#N)c1	ZINC000271899990	550409810	/nfs/dbraw/zinc/40/98/10/550409810.db2.gz	WDUWEKNXFLRKQX-UHFFFAOYSA-N	1	1	360.458	2.411	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1=CC[N@@H+](C)CC1	ZINC000271945338	550412638	/nfs/dbraw/zinc/41/26/38/550412638.db2.gz	XHMNYVJMVQYJGZ-AWEZNQCLSA-N	1	1	372.494	2.255	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1	ZINC000272012325	550416326	/nfs/dbraw/zinc/41/63/26/550416326.db2.gz	KPAPBHVHYSIAEA-IBGZPJMESA-N	1	1	352.482	2.271	20	30		FEEDMO
Cc1cc(NC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)nn1CCC#N	ZINC000272091667	550422445	/nfs/dbraw/zinc/42/24/45/550422445.db2.gz	NFFUCLKBYRIMQS-UHFFFAOYSA-N	1	1	358.421	2.498	20	30		FEEDMO
Cn1cc[nH+]c1N1CCN(Cc2ccc(C#N)cc2Br)CC1	ZINC000272481607	550452167	/nfs/dbraw/zinc/45/21/67/550452167.db2.gz	GTPVGOPYHWTDCV-UHFFFAOYSA-N	1	1	360.259	2.376	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@H]2C1	ZINC000272620333	550461193	/nfs/dbraw/zinc/46/11/93/550461193.db2.gz	LSHUPPZSWHFXLN-QAPCUYQASA-N	1	1	354.454	2.220	20	30		FEEDMO
CC1(C#N)CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1	ZINC000272750190	550468554	/nfs/dbraw/zinc/46/85/54/550468554.db2.gz	IRTRJDKTMFSFOK-GOSISDBHSA-N	1	1	356.470	2.088	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)C[N@H+](CCO)C1CCOCC1	ZINC000275458468	550572334	/nfs/dbraw/zinc/57/23/34/550572334.db2.gz	BMXHTPOBZVTMNG-UHFFFAOYSA-N	1	1	350.484	2.377	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C	ZINC000276243928	550577625	/nfs/dbraw/zinc/57/76/25/550577625.db2.gz	OPYNXHFSKHAKFG-QYZOEREBSA-N	1	1	351.535	2.302	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)ccc1Cl	ZINC000277453260	550672399	/nfs/dbraw/zinc/67/23/99/550672399.db2.gz	IFQHVQAJCJCGCO-OAHLLOKOSA-N	1	1	360.845	2.283	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CO)(Cc2ccccc2)CC1	ZINC000277647253	550696218	/nfs/dbraw/zinc/69/62/18/550696218.db2.gz	CQZHWCFTGMQLOT-HXUWFJFHSA-N	1	1	357.498	2.358	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CO)(Cc2ccccc2)CC1	ZINC000277647251	550696231	/nfs/dbraw/zinc/69/62/31/550696231.db2.gz	CQZHWCFTGMQLOT-FQEVSTJZSA-N	1	1	357.498	2.358	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)NCCN(CC)CCC(F)(F)F)CC1	ZINC000494963406	561480033	/nfs/dbraw/zinc/48/00/33/561480033.db2.gz	IHCBGUUMTHWLRD-UHFFFAOYSA-N	1	1	350.429	2.210	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc(CC(=O)Nc3cccc(OC)c3)no2)CC1	ZINC000277843698	550720715	/nfs/dbraw/zinc/72/07/15/550720715.db2.gz	LIOJASPXNQDEBT-UHFFFAOYSA-N	1	1	354.410	2.072	20	30		FEEDMO
N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)C1	ZINC000278538007	550796879	/nfs/dbraw/zinc/79/68/79/550796879.db2.gz	FYZGTQGDSBCZRF-VNQPRFMTSA-N	1	1	351.447	2.261	20	30		FEEDMO
N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)C1	ZINC000278538007	550796881	/nfs/dbraw/zinc/79/68/81/550796881.db2.gz	FYZGTQGDSBCZRF-VNQPRFMTSA-N	1	1	351.447	2.261	20	30		FEEDMO
C#CCC(CC#C)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000278770309	550820172	/nfs/dbraw/zinc/82/01/72/550820172.db2.gz	WYRQUJWKRWFTBH-NRFANRHFSA-N	1	1	351.494	2.144	20	30		FEEDMO
C#CCC(CC#C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1	ZINC000278770309	550820173	/nfs/dbraw/zinc/82/01/73/550820173.db2.gz	WYRQUJWKRWFTBH-NRFANRHFSA-N	1	1	351.494	2.144	20	30		FEEDMO
C#CCC(CC#C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000278770309	550820174	/nfs/dbraw/zinc/82/01/74/550820174.db2.gz	WYRQUJWKRWFTBH-NRFANRHFSA-N	1	1	351.494	2.144	20	30		FEEDMO
C[C@@]1(O)CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000279877825	550938605	/nfs/dbraw/zinc/93/86/05/550938605.db2.gz	CJSAKBSJIRNPMG-GOSISDBHSA-N	1	1	368.399	2.410	20	30		FEEDMO
N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)nc1	ZINC000279963136	550947359	/nfs/dbraw/zinc/94/73/59/550947359.db2.gz	SZNASEYWSOENGX-VMWRSERWSA-N	1	1	354.454	2.386	20	30		FEEDMO
Cn1c(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc2ccccc2c1=O	ZINC000280180410	550968458	/nfs/dbraw/zinc/96/84/58/550968458.db2.gz	RPFMGDXDLSSGCI-UHFFFAOYSA-N	1	1	373.460	2.123	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](CC(N)=O)c1ccccc1	ZINC000280642893	551016820	/nfs/dbraw/zinc/01/68/20/551016820.db2.gz	YJWFJMDJEWEBPZ-SFHVURJKSA-N	1	1	350.422	2.435	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000280680387	551020775	/nfs/dbraw/zinc/02/07/75/551020775.db2.gz	QQYRYANPSAKVHL-HNNXBMFYSA-N	1	1	352.438	2.400	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000280690705	551021768	/nfs/dbraw/zinc/02/17/68/551021768.db2.gz	RLZVGMBCZATMKA-UHFFFAOYSA-N	1	1	368.437	2.219	20	30		FEEDMO
CN(C(=O)[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1)c1ccccc1	ZINC000280700356	551022897	/nfs/dbraw/zinc/02/28/97/551022897.db2.gz	GYBTWFIQTWZTHT-QGZVFWFLSA-N	1	1	368.481	2.314	20	30		FEEDMO
N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1	ZINC000281003894	551053859	/nfs/dbraw/zinc/05/38/59/551053859.db2.gz	ODGYRBGVRJAAEW-LJQANCHMSA-N	1	1	368.481	2.201	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1=O	ZINC000281292329	551081687	/nfs/dbraw/zinc/08/16/87/551081687.db2.gz	JHRGJRXEBKHFBI-HNNXBMFYSA-N	1	1	372.494	2.156	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000281412063	551093841	/nfs/dbraw/zinc/09/38/41/551093841.db2.gz	MZFMOWMODBCMQN-SBHAEUEKSA-N	1	1	358.482	2.375	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000281412063	551093842	/nfs/dbraw/zinc/09/38/42/551093842.db2.gz	MZFMOWMODBCMQN-SBHAEUEKSA-N	1	1	358.482	2.375	20	30		FEEDMO
CN(CCC[NH+]1CCN(c2ccc(C#N)cn2)CC1)C(=O)OC(C)(C)C	ZINC000281418508	551095053	/nfs/dbraw/zinc/09/50/53/551095053.db2.gz	XVCSUNHBJOQQGF-UHFFFAOYSA-N	1	1	359.474	2.332	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCNC1=O	ZINC000282399226	551223125	/nfs/dbraw/zinc/22/31/25/551223125.db2.gz	PMWSVSNNJRCHQK-HNNXBMFYSA-N	1	1	374.510	2.428	20	30		FEEDMO
N#Cc1cc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)ccc1F	ZINC000282711645	551262401	/nfs/dbraw/zinc/26/24/01/551262401.db2.gz	LLPGCRPCXAMJEX-UHFFFAOYSA-N	1	1	351.447	2.087	20	30		FEEDMO
C=CCn1c(-c2ccccn2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000282713572	551262636	/nfs/dbraw/zinc/26/26/36/551262636.db2.gz	VWBVWPCINABDOU-UHFFFAOYSA-N	1	1	370.501	2.321	20	30		FEEDMO
Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCN(c2cc(C#N)ccn2)CC1	ZINC000282813934	551273485	/nfs/dbraw/zinc/27/34/85/551273485.db2.gz	OOOQWASPMLPFPA-UHFFFAOYSA-N	1	1	373.464	2.473	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000282992140	551294827	/nfs/dbraw/zinc/29/48/27/551294827.db2.gz	NASLPEOTRPHUDX-LSDHHAIUSA-N	1	1	370.544	2.028	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(C#N)c(Cl)n2)C[C@H](C)O1	ZINC000283129570	551316378	/nfs/dbraw/zinc/31/63/78/551316378.db2.gz	TXSRHXGITAYSNE-TXEJJXNPSA-N	1	1	350.850	2.224	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(C#N)c(Cl)n2)C[C@H](C)O1	ZINC000283129570	551316380	/nfs/dbraw/zinc/31/63/80/551316380.db2.gz	TXSRHXGITAYSNE-TXEJJXNPSA-N	1	1	350.850	2.224	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000283494097	551376208	/nfs/dbraw/zinc/37/62/08/551376208.db2.gz	DBNKFQWLHSMWME-MRXNPFEDSA-N	1	1	362.522	2.161	20	30		FEEDMO
C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2ccco2)CC1	ZINC000283616776	551397438	/nfs/dbraw/zinc/39/74/38/551397438.db2.gz	VUVPBXIGSSHBCW-UHFFFAOYSA-N	1	1	350.426	2.441	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1	ZINC000284178400	551498693	/nfs/dbraw/zinc/49/86/93/551498693.db2.gz	ZHGQZILKZXIALR-LJQANCHMSA-N	1	1	368.481	2.088	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C[C@H]1C	ZINC000498572152	561529197	/nfs/dbraw/zinc/52/91/97/561529197.db2.gz	OAAUIXURUMVZAU-ZIFCJYIRSA-N	1	1	369.513	2.419	20	30		FEEDMO
C[N@@H+]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1Cc1ccccc1	ZINC000285013782	551689644	/nfs/dbraw/zinc/68/96/44/551689644.db2.gz	ZRZMZKYPSHKGNI-KRWDZBQOSA-N	1	1	352.442	2.187	20	30		FEEDMO
C[N@H+]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@@H]1Cc1ccccc1	ZINC000285013782	551689646	/nfs/dbraw/zinc/68/96/46/551689646.db2.gz	ZRZMZKYPSHKGNI-KRWDZBQOSA-N	1	1	352.442	2.187	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1	ZINC000285260299	551728223	/nfs/dbraw/zinc/72/82/23/551728223.db2.gz	YLIFPTSBYVYTPU-UHFFFAOYSA-N	1	1	369.465	2.085	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(C#N)ccc2Cl)CC1	ZINC000285431042	551755661	/nfs/dbraw/zinc/75/56/61/551755661.db2.gz	KQTSRZDSZPWGSK-MRXNPFEDSA-N	1	1	360.889	2.454	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)c1ccc(F)cc1	ZINC000498849358	561535772	/nfs/dbraw/zinc/53/57/72/561535772.db2.gz	IXRWLFQKQHKAMF-MRXNPFEDSA-N	1	1	353.463	2.432	20	30		FEEDMO
CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000285681291	551794434	/nfs/dbraw/zinc/79/44/34/551794434.db2.gz	ZXDRKYRHNLVPJQ-JXFKEZNVSA-N	1	1	370.497	2.143	20	30		FEEDMO
CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000285681291	551794435	/nfs/dbraw/zinc/79/44/35/551794435.db2.gz	ZXDRKYRHNLVPJQ-JXFKEZNVSA-N	1	1	370.497	2.143	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@](O)(C(F)(F)F)CC3)C2=O)cc1	ZINC000285720875	551800688	/nfs/dbraw/zinc/80/06/88/551800688.db2.gz	WYHKOWKGYRSBNB-WBVHZDCISA-N	1	1	367.371	2.443	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@](O)(C(F)(F)F)CC3)C2=O)cc1	ZINC000285720875	551800689	/nfs/dbraw/zinc/80/06/89/551800689.db2.gz	WYHKOWKGYRSBNB-WBVHZDCISA-N	1	1	367.371	2.443	20	30		FEEDMO
Cc1cc(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)nn1CCC#N	ZINC000286976542	551947203	/nfs/dbraw/zinc/94/72/03/551947203.db2.gz	FMJGONFHPXPUOT-UHFFFAOYSA-N	1	1	352.442	2.453	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)cc1	ZINC000287157219	551970672	/nfs/dbraw/zinc/97/06/72/551970672.db2.gz	YFVDNBBBWJHKMO-UHFFFAOYSA-N	1	1	362.393	2.243	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000287469419	552008272	/nfs/dbraw/zinc/00/82/72/552008272.db2.gz	RRSPSJDLYKZZLK-OAHLLOKOSA-N	1	1	372.494	2.185	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000287469419	552008273	/nfs/dbraw/zinc/00/82/73/552008273.db2.gz	RRSPSJDLYKZZLK-OAHLLOKOSA-N	1	1	372.494	2.185	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000288233300	552115857	/nfs/dbraw/zinc/11/58/57/552115857.db2.gz	RRXVNXXFWNGYSY-PKOBYXMFSA-N	1	1	357.498	2.108	20	30		FEEDMO
N#CC1(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCOCC1	ZINC000288258756	552121075	/nfs/dbraw/zinc/12/10/75/552121075.db2.gz	GKWVBXRHSZLBEA-FQEVSTJZSA-N	1	1	353.466	2.431	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000288476211	552159861	/nfs/dbraw/zinc/15/98/61/552159861.db2.gz	PAVWNNCTXUAVMP-HYVNUMGLSA-N	1	1	356.445	2.219	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1	ZINC000288518202	552167525	/nfs/dbraw/zinc/16/75/25/552167525.db2.gz	PCDCIDRSDAJLEA-ICSRJNTNSA-N	1	1	357.498	2.421	20	30		FEEDMO
COCC1(C#N)CCN(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1	ZINC000500179883	561567321	/nfs/dbraw/zinc/56/73/21/561567321.db2.gz	GUUAWZALDYVVKT-QGZVFWFLSA-N	1	1	350.507	2.316	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000289180196	552278616	/nfs/dbraw/zinc/27/86/16/552278616.db2.gz	NEHVUTVRCDEIDR-GOSISDBHSA-N	1	1	361.442	2.420	20	30		FEEDMO
Cn1c(CC2CC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000289303671	552298172	/nfs/dbraw/zinc/29/81/72/552298172.db2.gz	IXMWMGRMBXOPMB-UHFFFAOYSA-N	1	1	350.470	2.352	20	30		FEEDMO
N#CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000289365539	552308141	/nfs/dbraw/zinc/30/81/41/552308141.db2.gz	APOFXDHBXIVEQO-AWEZNQCLSA-N	1	1	355.360	2.479	20	30		FEEDMO
COc1ccc(C[N@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1C#N	ZINC000289403785	552315548	/nfs/dbraw/zinc/31/55/48/552315548.db2.gz	GCFUIVFEBJLPQW-CYBMUJFWSA-N	1	1	355.360	2.457	20	30		FEEDMO
COc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1C#N	ZINC000289403785	552315552	/nfs/dbraw/zinc/31/55/52/552315552.db2.gz	GCFUIVFEBJLPQW-CYBMUJFWSA-N	1	1	355.360	2.457	20	30		FEEDMO
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cncc(C#N)c1	ZINC000289648385	552355613	/nfs/dbraw/zinc/35/56/13/552355613.db2.gz	GCEGNJHNCXZHOS-PKOBYXMFSA-N	1	1	368.462	2.258	20	30		FEEDMO
Cn1cc(CN2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1C#N	ZINC000289681579	552361020	/nfs/dbraw/zinc/36/10/20/552361020.db2.gz	NYSFPISFDORRET-OAQYLSRUSA-N	1	1	363.509	2.289	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000289875549	552392933	/nfs/dbraw/zinc/39/29/33/552392933.db2.gz	RCSYXUZROYTNPD-HOTGVXAUSA-N	1	1	362.499	2.228	20	30		FEEDMO
COc1ccc(CCC[N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000290232295	552446090	/nfs/dbraw/zinc/44/60/90/552446090.db2.gz	ITIKQOIHCHOJRY-UHFFFAOYSA-N	1	1	373.478	2.300	20	30		FEEDMO
COc1ccc(CCC[N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)cc1	ZINC000290232295	552446094	/nfs/dbraw/zinc/44/60/94/552446094.db2.gz	ITIKQOIHCHOJRY-UHFFFAOYSA-N	1	1	373.478	2.300	20	30		FEEDMO
N#Cc1c(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n[nH]c1C1CC1	ZINC000290390901	552471664	/nfs/dbraw/zinc/47/16/64/552471664.db2.gz	IABJSDUHWFDUPR-MRXNPFEDSA-N	1	1	365.437	2.388	20	30		FEEDMO
N#Cc1c(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n[nH]c1C1CC1	ZINC000290390901	552471665	/nfs/dbraw/zinc/47/16/65/552471665.db2.gz	IABJSDUHWFDUPR-MRXNPFEDSA-N	1	1	365.437	2.388	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)C[N@H+](CC)CCC)c(F)c1	ZINC000290398400	552473222	/nfs/dbraw/zinc/47/32/22/552473222.db2.gz	MZBXJIAMMVGGAP-GFCCVEGCSA-N	1	1	351.397	2.121	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C	ZINC000292023564	552685591	/nfs/dbraw/zinc/68/55/91/552685591.db2.gz	PLAIFCBLGAVKPZ-YZGWKJHDSA-N	1	1	355.482	2.126	20	30		FEEDMO
Cc1sc(NC(=O)C[NH2+][C@H](C(N)=O)[C@H](C)c2ccccc2)c(C#N)c1C	ZINC000292191572	552702996	/nfs/dbraw/zinc/70/29/96/552702996.db2.gz	NDIHEMNYKXNMFO-PXAZEXFGSA-N	1	1	370.478	2.422	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](C)C2)C1	ZINC000292195782	552703351	/nfs/dbraw/zinc/70/33/51/552703351.db2.gz	RTXQMHXCAMAZKG-UWJYYQICSA-N	1	1	370.497	2.358	20	30		FEEDMO
C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292193606	552703507	/nfs/dbraw/zinc/70/35/07/552703507.db2.gz	NGOMWRLPBPWSOH-VQIMIIECSA-N	1	1	364.449	2.453	20	30		FEEDMO
C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292193606	552703508	/nfs/dbraw/zinc/70/35/08/552703508.db2.gz	NGOMWRLPBPWSOH-VQIMIIECSA-N	1	1	364.449	2.453	20	30		FEEDMO
C=C(C)COc1cc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)ccc1OC	ZINC000292678518	552748648	/nfs/dbraw/zinc/74/86/48/552748648.db2.gz	AMJWHQOIKGAXEU-INIZCTEOSA-N	1	1	368.499	2.116	20	30		FEEDMO
C=C(C)COc1cc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)ccc1OC	ZINC000292678518	552748649	/nfs/dbraw/zinc/74/86/49/552748649.db2.gz	AMJWHQOIKGAXEU-INIZCTEOSA-N	1	1	368.499	2.116	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(-c2cccnc2)n1	ZINC000292800080	552759699	/nfs/dbraw/zinc/75/96/99/552759699.db2.gz	NLGBGQJJFWFHDJ-SFHVURJKSA-N	1	1	360.421	2.402	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000293085833	552787587	/nfs/dbraw/zinc/78/75/87/552787587.db2.gz	SPVCAUIIGXAUSP-QGZVFWFLSA-N	1	1	368.441	2.101	20	30		FEEDMO
C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)C2)C1	ZINC000293377064	552817194	/nfs/dbraw/zinc/81/71/94/552817194.db2.gz	NFSSIVPKZCYFHO-SFHVURJKSA-N	1	1	360.845	2.094	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)[N@H+]1C	ZINC000293541331	552833613	/nfs/dbraw/zinc/83/36/13/552833613.db2.gz	OJNJAZKPELAZGB-PHIMTYICSA-N	1	1	368.359	2.067	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)[N@@H+]1C	ZINC000293541331	552833615	/nfs/dbraw/zinc/83/36/15/552833615.db2.gz	OJNJAZKPELAZGB-PHIMTYICSA-N	1	1	368.359	2.067	20	30		FEEDMO
CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CC[C@@H](C#N)C1	ZINC000293645379	552843586	/nfs/dbraw/zinc/84/35/86/552843586.db2.gz	XSKDOPKAIUWXMN-APWZRJJASA-N	1	1	356.470	2.476	20	30		FEEDMO
CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CC[C@@H](C#N)C1	ZINC000293645379	552843587	/nfs/dbraw/zinc/84/35/87/552843587.db2.gz	XSKDOPKAIUWXMN-APWZRJJASA-N	1	1	356.470	2.476	20	30		FEEDMO
CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC[C@H](C#N)C1	ZINC000293645403	552843605	/nfs/dbraw/zinc/84/36/05/552843605.db2.gz	XSKDOPKAIUWXMN-QFBILLFUSA-N	1	1	356.470	2.476	20	30		FEEDMO
CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC[C@H](C#N)C1	ZINC000293645403	552843606	/nfs/dbraw/zinc/84/36/06/552843606.db2.gz	XSKDOPKAIUWXMN-QFBILLFUSA-N	1	1	356.470	2.476	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CCCCNC(=O)OCc1ccccc1	ZINC000294117999	552883356	/nfs/dbraw/zinc/88/33/56/552883356.db2.gz	ZLTKBWIBACLLJH-UHFFFAOYSA-N	1	1	359.470	2.154	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000294243641	552890777	/nfs/dbraw/zinc/89/07/77/552890777.db2.gz	PLRYHWPSJUYSFI-IRXDYDNUSA-N	1	1	351.447	2.086	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000294342179	552898434	/nfs/dbraw/zinc/89/84/34/552898434.db2.gz	YNIAQCGTDDQXGD-QGZVFWFLSA-N	1	1	362.430	2.197	20	30		FEEDMO
N#Cc1ccc(C2=CCN(C(=O)NCC[NH+]3CCSCC3)CC2)cc1	ZINC000502168732	561613267	/nfs/dbraw/zinc/61/32/67/561613267.db2.gz	OJTQDEZUNRVIOG-UHFFFAOYSA-N	1	1	356.495	2.406	20	30		FEEDMO
CCOC(=O)c1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH]c1C	ZINC000296125381	553108891	/nfs/dbraw/zinc/10/88/91/553108891.db2.gz	UCNAHBNABJUWLP-INIZCTEOSA-N	1	1	354.410	2.420	20	30		FEEDMO
CCOC(=O)c1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)[nH]c1C	ZINC000296125381	553108892	/nfs/dbraw/zinc/10/88/92/553108892.db2.gz	UCNAHBNABJUWLP-INIZCTEOSA-N	1	1	354.410	2.420	20	30		FEEDMO
C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](CO)c1ccc(Cl)cc1	ZINC000296484796	553167730	/nfs/dbraw/zinc/16/77/30/553167730.db2.gz	YOGWRXCWSPNQLX-SFHVURJKSA-N	1	1	357.841	2.493	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](CO)c1ccc(Cl)cc1	ZINC000296484796	553167732	/nfs/dbraw/zinc/16/77/32/553167732.db2.gz	YOGWRXCWSPNQLX-SFHVURJKSA-N	1	1	357.841	2.493	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000296561013	553179814	/nfs/dbraw/zinc/17/98/14/553179814.db2.gz	NSYHRJVRMHHSFL-ZDUSSCGKSA-N	1	1	362.499	2.456	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000296791005	553212209	/nfs/dbraw/zinc/21/22/09/553212209.db2.gz	HNLKCRXTCWXWCK-UHFFFAOYSA-N	1	1	374.441	2.103	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)Nc3sc(C(C)(C)C)cc3C#N)C2)C1	ZINC000296845875	553219408	/nfs/dbraw/zinc/21/94/08/553219408.db2.gz	IYGLIIZXQGZJGZ-LJQANCHMSA-N	1	1	374.510	2.410	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]1Cn1cnc2ccccc21	ZINC000296884819	553224873	/nfs/dbraw/zinc/22/48/73/553224873.db2.gz	LZRASSRRQADPIC-KRWDZBQOSA-N	1	1	353.470	2.165	20	30		FEEDMO
Cc1nsc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1C#N	ZINC000297552069	553308175	/nfs/dbraw/zinc/30/81/75/553308175.db2.gz	ZPQONXSILRZYBE-OAHLLOKOSA-N	1	1	371.466	2.212	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC1(Cc2ccc(F)cc2)CCOCC1	ZINC000297556963	553308469	/nfs/dbraw/zinc/30/84/69/553308469.db2.gz	RPWAGVLJZFOXNS-UHFFFAOYSA-N	1	1	361.461	2.172	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1	ZINC000298011675	553370901	/nfs/dbraw/zinc/37/09/01/553370901.db2.gz	LDJRBVJDUQLJCH-NRFANRHFSA-N	1	1	355.482	2.146	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000298032432	553374151	/nfs/dbraw/zinc/37/41/51/553374151.db2.gz	FSZHWNREMIFJOF-DOMZBBRYSA-N	1	1	374.510	2.284	20	30		FEEDMO
N#Cc1ccc(OCC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1	ZINC000298167947	553392991	/nfs/dbraw/zinc/39/29/91/553392991.db2.gz	TWMXKXCIURMNDF-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
C[S@](=O)C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1	ZINC000299023323	553504826	/nfs/dbraw/zinc/50/48/26/553504826.db2.gz	REWYXRDNKPLUNF-UDCNLSRBSA-N	1	1	367.474	2.373	20	30		FEEDMO
C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000299390685	553556935	/nfs/dbraw/zinc/55/69/35/553556935.db2.gz	UPSHCFHSFZCELH-FXAWDEMLSA-N	1	1	371.481	2.177	20	30		FEEDMO
C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000299390685	553556936	/nfs/dbraw/zinc/55/69/36/553556936.db2.gz	UPSHCFHSFZCELH-FXAWDEMLSA-N	1	1	371.481	2.177	20	30		FEEDMO
Cc1nnc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c(C#N)c1C	ZINC000301175755	553628479	/nfs/dbraw/zinc/62/84/79/553628479.db2.gz	GDEISYSTJJWBBL-UHFFFAOYSA-N	1	1	364.497	2.219	20	30		FEEDMO
C[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C[NH+]1CCOCC1	ZINC000301401374	553649369	/nfs/dbraw/zinc/64/93/69/553649369.db2.gz	QGAIRCDWYUALAY-ZDUSSCGKSA-N	1	1	355.398	2.395	20	30		FEEDMO
N#Cc1ccnc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-]	ZINC000301665157	553670042	/nfs/dbraw/zinc/67/00/42/553670042.db2.gz	WEGGKACYXYSGAB-UHFFFAOYSA-N	1	1	370.388	2.235	20	30		FEEDMO
C[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21)[N@H+]1CCC[C@@H](C)C1	ZINC000328598651	553794633	/nfs/dbraw/zinc/79/46/33/553794633.db2.gz	BIICSRDGTQXOKI-WCXIOVBPSA-N	1	1	371.547	2.062	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)CC[N@H+]1C	ZINC000328728527	553813233	/nfs/dbraw/zinc/81/32/33/553813233.db2.gz	GXQOZRCWGORLCY-OIISXLGYSA-N	1	1	359.474	2.293	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C[C@@](C)(O)C3CC3)c2)CC1	ZINC000328768997	553819656	/nfs/dbraw/zinc/81/96/56/553819656.db2.gz	IGPFSIRNTOSDIG-HXUWFJFHSA-N	1	1	359.470	2.142	20	30		FEEDMO
COCC[N@@H+]1CC[C@H](NC(=O)c2sc([C@@H]3CCCOC3)nc2C)C1	ZINC000328822035	553827770	/nfs/dbraw/zinc/82/77/70/553827770.db2.gz	QROWDILDRZEUSP-KGLIPLIRSA-N	1	1	353.488	2.371	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)c2sc([C@@H]3CCCOC3)nc2C)C1	ZINC000328822035	553827772	/nfs/dbraw/zinc/82/77/72/553827772.db2.gz	QROWDILDRZEUSP-KGLIPLIRSA-N	1	1	353.488	2.371	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCCC12CCOCC2	ZINC000328852606	553832887	/nfs/dbraw/zinc/83/28/87/553832887.db2.gz	XAYYFCYBXPEUDX-CVEARBPZSA-N	1	1	353.507	2.027	20	30		FEEDMO
Cc1ccc([C@H](CN2CCOCC2)NC(=O)[C@@H]2CCc3nn[nH]c3C2)cc1	ZINC000328936331	553848721	/nfs/dbraw/zinc/84/87/21/553848721.db2.gz	FWCHLCBPIUEXNH-APWZRJJASA-N	1	1	369.469	2.248	20	30		FEEDMO
CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC12CCCCC2	ZINC000328963281	553854539	/nfs/dbraw/zinc/85/45/39/553854539.db2.gz	LKJVPOBVEGEIOQ-NVXWUHKLSA-N	1	1	350.507	2.250	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)C1	ZINC000328966410	553855018	/nfs/dbraw/zinc/85/50/18/553855018.db2.gz	SOGZAWYDDMRNEZ-BRWVUGGUSA-N	1	1	366.506	2.088	20	30		FEEDMO
O=C(C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1)NC(=O)NC1CC1	ZINC000329114244	553883120	/nfs/dbraw/zinc/88/31/20/553883120.db2.gz	LUIXCKNXPJBOMY-HNNXBMFYSA-N	1	1	362.474	2.134	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCO[C@@H]2c2ccc(OC)nc2)C1	ZINC000329131799	553886475	/nfs/dbraw/zinc/88/64/75/553886475.db2.gz	OZNVKVYWFHHXCF-UWWQBHOKSA-N	1	1	362.474	2.156	20	30		FEEDMO
O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cnn2c1[nH]c(=O)c1ccccc12	ZINC000329135162	553886903	/nfs/dbraw/zinc/88/69/03/553886903.db2.gz	BZLDOQLHCWDRHW-ZDUSSCGKSA-N	1	1	365.437	2.497	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1OC	ZINC000329151076	553890235	/nfs/dbraw/zinc/89/02/35/553890235.db2.gz	ZWXFWRIMIYHVRW-XDNAFOTISA-N	1	1	353.507	2.291	20	30		FEEDMO
C[C@@H]1CCSCC[N@@H+]1CC(=O)Nc1cc(-n2cnnn2)ccc1F	ZINC000329163935	553892793	/nfs/dbraw/zinc/89/27/93/553892793.db2.gz	GPCKMPYZKFDOTR-LLVKDONJSA-N	1	1	350.423	2.217	20	30		FEEDMO
C[C@@H]1CCSCC[N@H+]1CC(=O)Nc1cc(-n2cnnn2)ccc1F	ZINC000329163935	553892794	/nfs/dbraw/zinc/89/27/94/553892794.db2.gz	GPCKMPYZKFDOTR-LLVKDONJSA-N	1	1	350.423	2.217	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)[C@H]2C1	ZINC000329172276	553894931	/nfs/dbraw/zinc/89/49/31/553894931.db2.gz	AFSJWWAVOFEITA-GJYPPUQNSA-N	1	1	356.445	2.076	20	30		FEEDMO
C[C@@H]1COCC[C@@H]1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C	ZINC000329197025	553900345	/nfs/dbraw/zinc/90/03/45/553900345.db2.gz	TZPGQOSOYVCWFI-MUQADHOPSA-N	1	1	363.506	2.074	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1	ZINC000329258912	553912881	/nfs/dbraw/zinc/91/28/81/553912881.db2.gz	ADLGDSHBOZMHKO-ARFHVFGLSA-N	1	1	358.490	2.402	20	30		FEEDMO
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1	ZINC000329258912	553912882	/nfs/dbraw/zinc/91/28/82/553912882.db2.gz	ADLGDSHBOZMHKO-ARFHVFGLSA-N	1	1	358.490	2.402	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1	ZINC000329258912	553912884	/nfs/dbraw/zinc/91/28/84/553912884.db2.gz	ADLGDSHBOZMHKO-ARFHVFGLSA-N	1	1	358.490	2.402	20	30		FEEDMO
C[C@@H](C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000329264442	553913764	/nfs/dbraw/zinc/91/37/64/553913764.db2.gz	GRYRRMXJCNBPNI-LJISPDSOSA-N	1	1	357.520	2.161	20	30		FEEDMO
CN(C)C(=O)C1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1	ZINC000329268885	553913970	/nfs/dbraw/zinc/91/39/70/553913970.db2.gz	DXMULZJLVBHZNZ-KRWDZBQOSA-N	1	1	359.470	2.102	20	30		FEEDMO
CC(=O)N1CCCN(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1	ZINC000329297587	553920253	/nfs/dbraw/zinc/92/02/53/553920253.db2.gz	TYJXSYOVECIMKI-LJQANCHMSA-N	1	1	364.534	2.499	20	30		FEEDMO
CN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[C@H]1CCSC1	ZINC000329317513	553923935	/nfs/dbraw/zinc/92/39/35/553923935.db2.gz	HWLYGYKJESGMDO-OFQRWUPVSA-N	1	1	351.520	2.154	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)N[C@H](C)[C@@H]3CCCOC3)CC2)nc(C)[nH+]1	ZINC000329320271	553924602	/nfs/dbraw/zinc/92/46/02/553924602.db2.gz	DWSZHYFGVKYMDX-GDBMZVCRSA-N	1	1	361.490	2.381	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)CCc3ccccc32)C1	ZINC000329439179	553947346	/nfs/dbraw/zinc/94/73/46/553947346.db2.gz	JXHWONPWFNKUKW-QGZVFWFLSA-N	1	1	359.470	2.279	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](c2nccn2C)C2CCOCC2)C[C@H]1C	ZINC000329456819	553950596	/nfs/dbraw/zinc/95/05/96/553950596.db2.gz	NBWCGIASEDJZIM-VYDXJSESSA-N	1	1	363.506	2.216	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)[C@@]12CCCO2	ZINC000329524925	553962122	/nfs/dbraw/zinc/96/21/22/553962122.db2.gz	QQYYIPXGBFPVAQ-KMOPNRPKSA-N	1	1	353.507	2.289	20	30		FEEDMO
C[C@H](CNC(=O)N1CCO[C@H](C2CCCCC2)C1)C[NH+]1CCOCC1	ZINC000329637767	553980768	/nfs/dbraw/zinc/98/07/68/553980768.db2.gz	YNFZGOBHEZGCHG-AEFFLSMTSA-N	1	1	353.507	2.150	20	30		FEEDMO
CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](C(=O)N3CCCC3)C2)CC1	ZINC000329734923	553997230	/nfs/dbraw/zinc/99/72/30/553997230.db2.gz	RRYCDIBSNODLFW-QGZVFWFLSA-N	1	1	364.534	2.150	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)CC[N@H+]1C	ZINC000329778509	554003921	/nfs/dbraw/zinc/00/39/21/554003921.db2.gz	QDLGWSXFUOCOML-QAPCUYQASA-N	1	1	358.486	2.278	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)CC[N@H+]1C	ZINC000329792485	554007037	/nfs/dbraw/zinc/00/70/37/554007037.db2.gz	AFBWWXLVIOARFX-SJLPKXTDSA-N	1	1	364.534	2.498	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)CC[N@@H+]1C	ZINC000329812019	554010281	/nfs/dbraw/zinc/01/02/81/554010281.db2.gz	CXMJWDUIZZIJCB-KGLIPLIRSA-N	1	1	373.457	2.234	20	30		FEEDMO
N#CCSCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2	ZINC000507209514	561721437	/nfs/dbraw/zinc/72/14/37/561721437.db2.gz	KJIHINVFIGLBOP-GOSISDBHSA-N	1	1	373.522	2.288	20	30		FEEDMO
Cc1ccc(NC(=O)[C@H]([NH2+]CCn2cnc(C#N)n2)c2ccccc2)cc1	ZINC000507218286	561721527	/nfs/dbraw/zinc/72/15/27/561721527.db2.gz	ZZUFBLSBTXWRIK-LJQANCHMSA-N	1	1	360.421	2.428	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000507286751	561723671	/nfs/dbraw/zinc/72/36/71/561723671.db2.gz	XXNQGPLUAPZCAW-HXUWFJFHSA-N	1	1	374.485	2.463	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C[C@H](C)O1	ZINC000329883763	554024700	/nfs/dbraw/zinc/02/47/00/554024700.db2.gz	RLYMVJUNGVUBDM-QLFBSQMISA-N	1	1	364.490	2.116	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C[C@H](C)O1	ZINC000329883763	554024702	/nfs/dbraw/zinc/02/47/02/554024702.db2.gz	RLYMVJUNGVUBDM-QLFBSQMISA-N	1	1	364.490	2.116	20	30		FEEDMO
CO[C@@]1(C)CCCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	ZINC000329965188	554040285	/nfs/dbraw/zinc/04/02/85/554040285.db2.gz	UZHRMZCERZXILQ-SFHVURJKSA-N	1	1	353.507	2.436	20	30		FEEDMO
CCC1(CC)CCC[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000329974756	554042293	/nfs/dbraw/zinc/04/22/93/554042293.db2.gz	ZGZSQDQDKWMIJW-CQSZACIVSA-N	1	1	373.519	2.336	20	30		FEEDMO
CCC1(CC)CCC[N@@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000329974756	554042294	/nfs/dbraw/zinc/04/22/94/554042294.db2.gz	ZGZSQDQDKWMIJW-CQSZACIVSA-N	1	1	373.519	2.336	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1CCOC2(CCOCC2)C1	ZINC000330012805	554049091	/nfs/dbraw/zinc/04/90/91/554049091.db2.gz	LDUOAHDAXVIMHR-HNNXBMFYSA-N	1	1	373.457	2.255	20	30		FEEDMO
CC1(C)C(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1(C)C	ZINC000330026175	554051379	/nfs/dbraw/zinc/05/13/79/554051379.db2.gz	BJKKQJIHXZFGSM-OAHLLOKOSA-N	1	1	365.518	2.338	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[S@](=O)C2)C1	ZINC000330036730	554052965	/nfs/dbraw/zinc/05/29/65/554052965.db2.gz	YMNFHOYUFKLKGN-JTJQLJSMSA-N	1	1	363.527	2.443	20	30		FEEDMO
C[C@H](CNC(=O)N1CCC(O[C@@H]2CCOC2)CC1)[N@H+]1CCC[C@@H](C)C1	ZINC000330043309	554054050	/nfs/dbraw/zinc/05/40/50/554054050.db2.gz	AEENAESOAFCXIG-JFIYKMOQSA-N	1	1	353.507	2.291	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCn3cnnc3[C@H]2C)C1	ZINC000330066560	554058028	/nfs/dbraw/zinc/05/80/28/554058028.db2.gz	SZCCUDGXFPECJM-INMHGKMJSA-N	1	1	354.458	2.404	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C[C@@H]1C	ZINC000330116729	554067148	/nfs/dbraw/zinc/06/71/48/554067148.db2.gz	VXALPNBSPNCZAD-BBRMVZONSA-N	1	1	365.499	2.367	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C[C@H]1C	ZINC000330116730	554067245	/nfs/dbraw/zinc/06/72/45/554067245.db2.gz	VXALPNBSPNCZAD-CJNGLKHVSA-N	1	1	365.499	2.367	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(C(=O)C3CC3)CC2)C[C@@H]1C	ZINC000330159932	554076138	/nfs/dbraw/zinc/07/61/38/554076138.db2.gz	RLANGHAPAMKYJQ-YOEHRIQHSA-N	1	1	350.507	2.106	20	30		FEEDMO
O=C(NCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1)c1ccccn1	ZINC000330241251	554091497	/nfs/dbraw/zinc/09/14/97/554091497.db2.gz	WDFJSEZOLCLPTO-SFHVURJKSA-N	1	1	356.470	2.252	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)C[C@H]1[NH+]1CCOCC1	ZINC000330272589	554097198	/nfs/dbraw/zinc/09/71/98/554097198.db2.gz	XTONMXIIYYIVCR-FCGDIQPGSA-N	1	1	367.534	2.394	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCOC1CCCCC1	ZINC000330270659	554097216	/nfs/dbraw/zinc/09/72/16/554097216.db2.gz	UPATVZRVNPOGQO-MRXNPFEDSA-N	1	1	353.507	2.435	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1C	ZINC000330337546	554107403	/nfs/dbraw/zinc/10/74/03/554107403.db2.gz	UDABUAJPJQIQER-BPQIPLTHSA-N	1	1	363.506	2.327	20	30		FEEDMO
Cc1ccc(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1S(C)(=O)=O	ZINC000330785716	554170918	/nfs/dbraw/zinc/17/09/18/554170918.db2.gz	LZMGMTMZTXCFTQ-CYBMUJFWSA-N	1	1	351.472	2.375	20	30		FEEDMO
Cc1ccc(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1S(C)(=O)=O	ZINC000330785717	554171082	/nfs/dbraw/zinc/17/10/82/554171082.db2.gz	LZMGMTMZTXCFTQ-ZDUSSCGKSA-N	1	1	351.472	2.375	20	30		FEEDMO
COc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(Br)c1	ZINC000330839981	554177904	/nfs/dbraw/zinc/17/79/04/554177904.db2.gz	MWUYRILWZCZIGE-NSHDSACASA-N	1	1	371.279	2.029	20	30		FEEDMO
CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000330890692	554184106	/nfs/dbraw/zinc/18/41/06/554184106.db2.gz	JKZZVUQVNAYTMP-VHSXEESVSA-N	1	1	361.368	2.047	20	30		FEEDMO
CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000330890692	554184108	/nfs/dbraw/zinc/18/41/08/554184108.db2.gz	JKZZVUQVNAYTMP-VHSXEESVSA-N	1	1	361.368	2.047	20	30		FEEDMO
CNC(=O)NC(=O)C[N@H+]1CCC[C@H](Cc2cc(Cl)ccc2OC)C1	ZINC000330902765	554185524	/nfs/dbraw/zinc/18/55/24/554185524.db2.gz	LFRVRYMWBCKIJV-GFCCVEGCSA-N	1	1	353.850	2.263	20	30		FEEDMO
Cc1cccc(Br)c1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1	ZINC000331113130	554215144	/nfs/dbraw/zinc/21/51/44/554215144.db2.gz	JELGBMCOYFBUKC-INIZCTEOSA-N	1	1	371.275	2.145	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)C1	ZINC000331118789	554216044	/nfs/dbraw/zinc/21/60/44/554216044.db2.gz	LNCNCVGLENIDCX-GVDBMIGSSA-N	1	1	352.523	2.257	20	30		FEEDMO
CC[C@H](C)n1ncc(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1C	ZINC000331167744	554224888	/nfs/dbraw/zinc/22/48/88/554224888.db2.gz	YRTLLJCNNVLVAM-ZDUSSCGKSA-N	1	1	364.494	2.041	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1C#N	ZINC000331173268	554225346	/nfs/dbraw/zinc/22/53/46/554225346.db2.gz	UWAVPXDAXPCZAI-CYBMUJFWSA-N	1	1	350.488	2.051	20	30		FEEDMO
CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cccnc2C#N)C1	ZINC000331194666	554228974	/nfs/dbraw/zinc/22/89/74/554228974.db2.gz	WOEUADDLHVAALE-AWEZNQCLSA-N	1	1	350.488	2.132	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2cn(C)nc2C(F)(F)F)C[C@H](C)O1	ZINC000331210703	554231704	/nfs/dbraw/zinc/23/17/04/554231704.db2.gz	ICKWOIPNNRTKEA-PHIMTYICSA-N	1	1	363.384	2.025	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2cn(C)nc2C(F)(F)F)C[C@H](C)O1	ZINC000331210703	554231706	/nfs/dbraw/zinc/23/17/06/554231706.db2.gz	ICKWOIPNNRTKEA-PHIMTYICSA-N	1	1	363.384	2.025	20	30		FEEDMO
C[C@H](COc1cccc(F)c1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1	ZINC000331229085	554234352	/nfs/dbraw/zinc/23/43/52/554234352.db2.gz	OVUVUPVDMNKWEI-HUUCEWRRSA-N	1	1	367.465	2.284	20	30		FEEDMO
CC[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1c(C)nn(C)c1C	ZINC000331244264	554235954	/nfs/dbraw/zinc/23/59/54/554235954.db2.gz	ZKEHBQFHQYPNBV-CJNGLKHVSA-N	1	1	365.522	2.179	20	30		FEEDMO
CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000331304774	554244535	/nfs/dbraw/zinc/24/45/35/554244535.db2.gz	UPJWTZWZWJVHNT-VHSXEESVSA-N	1	1	361.368	2.047	20	30		FEEDMO
CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000331304774	554244537	/nfs/dbraw/zinc/24/45/37/554244537.db2.gz	UPJWTZWZWJVHNT-VHSXEESVSA-N	1	1	361.368	2.047	20	30		FEEDMO
Cc1ccc(S(N)(=O)=O)c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1	ZINC000331308013	554245219	/nfs/dbraw/zinc/24/52/19/554245219.db2.gz	WWZQMGJCSGVLOO-UHFFFAOYSA-N	1	1	353.488	2.069	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[N@@H+]1C1CC1	ZINC000331436136	554264688	/nfs/dbraw/zinc/26/46/88/554264688.db2.gz	CTGRDUYVKSCLEL-ZYHUDNBSSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[N@H+]1C1CC1	ZINC000331436136	554264690	/nfs/dbraw/zinc/26/46/90/554264690.db2.gz	CTGRDUYVKSCLEL-ZYHUDNBSSA-N	1	1	373.400	2.481	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000331627989	554297946	/nfs/dbraw/zinc/29/79/46/554297946.db2.gz	RJVXJDBQPZYEIO-IEBWSBKVSA-N	1	1	369.513	2.278	20	30		FEEDMO
CC[N@@H+](CCC1CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC1)CC1CC1	ZINC000509202709	561789743	/nfs/dbraw/zinc/78/97/43/561789743.db2.gz	LFRJOTYYIFOZLJ-MRXNPFEDSA-N	1	1	370.563	2.299	20	30		FEEDMO
C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCOC1	ZINC000510132458	561826261	/nfs/dbraw/zinc/82/62/61/561826261.db2.gz	LRMGVRCWOVCBNO-INIZCTEOSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCCOC1	ZINC000510132458	561826262	/nfs/dbraw/zinc/82/62/62/561826262.db2.gz	LRMGVRCWOVCBNO-INIZCTEOSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N=c2[nH]n(C)cc2C#N)CC[N@@H+]1Cc1ccccc1	ZINC000610572107	554531881	/nfs/dbraw/zinc/53/18/81/554531881.db2.gz	CCTDQOKPANOKDJ-PBHICJAKSA-N	1	1	352.442	2.466	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N=c2[nH]n(C)cc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000610572107	554531883	/nfs/dbraw/zinc/53/18/83/554531883.db2.gz	CCTDQOKPANOKDJ-PBHICJAKSA-N	1	1	352.442	2.466	20	30		FEEDMO
C[C@@H](CC[NH+]1CCOCC1)NC(=O)CCCCOc1cccc(C#N)c1	ZINC000511062039	561855262	/nfs/dbraw/zinc/85/52/62/561855262.db2.gz	JQJFZOCGCWUSAP-KRWDZBQOSA-N	1	1	359.470	2.334	20	30		FEEDMO
CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000360617761	554882186	/nfs/dbraw/zinc/88/21/86/554882186.db2.gz	IJKRUCCUTXEQFS-FQEVSTJZSA-N	1	1	366.509	2.482	20	30		FEEDMO
CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000360617761	554882188	/nfs/dbraw/zinc/88/21/88/554882188.db2.gz	IJKRUCCUTXEQFS-FQEVSTJZSA-N	1	1	366.509	2.482	20	30		FEEDMO
CCN(CCC#N)C(=O)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000361038200	554901988	/nfs/dbraw/zinc/90/19/88/554901988.db2.gz	YZMYTWSBCWDNTB-UXHICEINSA-N	1	1	354.498	2.487	20	30		FEEDMO
C[C@H]1CC(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000363150043	555040733	/nfs/dbraw/zinc/04/07/33/555040733.db2.gz	KJYWSBKIZQDSKI-ZDUSSCGKSA-N	1	1	374.510	2.428	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1	ZINC000363246143	555062445	/nfs/dbraw/zinc/06/24/45/555062445.db2.gz	PSHRBWBNABZBHR-OAHLLOKOSA-N	1	1	356.445	2.229	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1	ZINC000363457115	555110984	/nfs/dbraw/zinc/11/09/84/555110984.db2.gz	INUGJBVCCUPUGB-DLBZAZTESA-N	1	1	357.454	2.323	20	30		FEEDMO
N#Cc1ccnc(NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1[N+](=O)[O-]	ZINC000363890476	555207863	/nfs/dbraw/zinc/20/78/63/555207863.db2.gz	OSVQPOUPSWZHOS-OAHLLOKOSA-N	1	1	352.398	2.581	20	30		FEEDMO
CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000363977145	555226086	/nfs/dbraw/zinc/22/60/86/555226086.db2.gz	UQZSMLNOWYQCJY-INIZCTEOSA-N	1	1	365.437	2.255	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[N@H+]([C@H](C)CO)CC1	ZINC000364215958	555272093	/nfs/dbraw/zinc/27/20/93/555272093.db2.gz	QRJZNNSVINARKM-SJORKVTESA-N	1	1	365.543	2.040	20	30		FEEDMO
N#Cc1ccccc1Cn1cccc1C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1	ZINC000364883818	555424194	/nfs/dbraw/zinc/42/41/94/555424194.db2.gz	CFOILNAWLHSEDT-HXUWFJFHSA-N	1	1	350.422	2.482	20	30		FEEDMO
N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1	ZINC000364883818	555424198	/nfs/dbraw/zinc/42/41/98/555424198.db2.gz	CFOILNAWLHSEDT-HXUWFJFHSA-N	1	1	350.422	2.482	20	30		FEEDMO
C=CCN(C(=O)[C@H]1CCCN1C(C)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000365258463	555524910	/nfs/dbraw/zinc/52/49/10/555524910.db2.gz	OSSHSCVPLAQSBK-WOJBJXKFSA-N	1	1	355.482	2.286	20	30		FEEDMO
C[N@H+]1CC[C@H](CNC(=O)N=c2ccn(CCC#N)[nH]2)[C@@H]1c1cccs1	ZINC000365645500	555630703	/nfs/dbraw/zinc/63/07/03/555630703.db2.gz	CIVLKJOABPGLJI-CZUORRHYSA-N	1	1	358.471	2.673	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@@H]2[C@H]1c1ccccc1	ZINC000365689703	555641429	/nfs/dbraw/zinc/64/14/29/555641429.db2.gz	AUWJWNVKSBTJBV-YZGWKJHDSA-N	1	1	374.444	2.258	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3)C[C@H]2[C@H]1c1ccccc1	ZINC000365689701	555641501	/nfs/dbraw/zinc/64/15/01/555641501.db2.gz	AUWJWNVKSBTJBV-MISYRCLQSA-N	1	1	374.444	2.258	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1	ZINC000365792710	555668754	/nfs/dbraw/zinc/66/87/54/555668754.db2.gz	PDDRGGYYGHCMDM-DOTOQJQBSA-N	1	1	371.485	2.049	20	30		FEEDMO
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000366232705	555788228	/nfs/dbraw/zinc/78/82/28/555788228.db2.gz	GXEIVJCUYLRLHN-MOPGFXCFSA-N	1	1	356.470	2.343	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000366339893	555815401	/nfs/dbraw/zinc/81/54/01/555815401.db2.gz	NAZKOIPYLYUWDJ-LLVKDONJSA-N	1	1	360.368	2.092	20	30		FEEDMO
Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000366439823	555844331	/nfs/dbraw/zinc/84/43/31/555844331.db2.gz	OBJDRARZRLMNCY-SFHVURJKSA-N	1	1	350.422	2.031	20	30		FEEDMO
Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000366439823	555844334	/nfs/dbraw/zinc/84/43/34/555844334.db2.gz	OBJDRARZRLMNCY-SFHVURJKSA-N	1	1	350.422	2.031	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)N1CCC([NH+]2CCN(CCC)CC2)CC1)OCC	ZINC000366824773	555944195	/nfs/dbraw/zinc/94/41/95/555944195.db2.gz	GPHXNLDXUNHNNN-LJQANCHMSA-N	1	1	351.535	2.376	20	30		FEEDMO
C[C@]1(CNC(=O)N=c2ccn(CCC#N)[nH]2)CC[N@@H+](Cc2ccccc2)C1	ZINC000366878950	555958813	/nfs/dbraw/zinc/95/88/13/555958813.db2.gz	GCGVMPOGTFIRID-HXUWFJFHSA-N	1	1	366.469	2.830	20	30		FEEDMO
C[C@H](C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)[NH+]1CCSCC1	ZINC000367019108	555999081	/nfs/dbraw/zinc/99/90/81/555999081.db2.gz	GIJNKRUSWPACHF-CYBMUJFWSA-N	1	1	355.467	2.002	20	30		FEEDMO
N#CC1(CCC[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)CCOCC1	ZINC000367085627	556001177	/nfs/dbraw/zinc/00/11/77/556001177.db2.gz	QUJUCJWEIQHXLX-SFHVURJKSA-N	1	1	363.502	2.094	20	30		FEEDMO
C(#CC[NH+]1CCC([C@H]2CCOC2)CC1)CN1CCC([C@H]2CCOC2)CC1	ZINC000367464827	556056975	/nfs/dbraw/zinc/05/69/75/556056975.db2.gz	VUVYMBITEYHDHD-VXKWHMMOSA-N	1	1	360.542	2.487	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1	ZINC000367583440	556089297	/nfs/dbraw/zinc/08/92/97/556089297.db2.gz	DEGOAZBEYPIDBL-WFASDCNBSA-N	1	1	350.381	2.227	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1	ZINC000367583440	556089301	/nfs/dbraw/zinc/08/93/01/556089301.db2.gz	DEGOAZBEYPIDBL-WFASDCNBSA-N	1	1	350.381	2.227	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(c3ccc(C#N)cc3F)CC1)C2	ZINC000368053321	556205542	/nfs/dbraw/zinc/20/55/42/556205542.db2.gz	FAPYERYFZLTVDF-MRXNPFEDSA-N	1	1	367.428	2.114	20	30		FEEDMO
N#Cc1c(F)cccc1N1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1	ZINC000368068773	556209832	/nfs/dbraw/zinc/20/98/32/556209832.db2.gz	BZWNJXVZMIYVCI-QGZVFWFLSA-N	1	1	353.401	2.120	20	30		FEEDMO
N#CCSCCC[N@@H+]1CCC[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000368540643	556339612	/nfs/dbraw/zinc/33/96/12/556339612.db2.gz	UNSRGHNSEHZEPK-SJORKVTESA-N	1	1	357.479	2.283	20	30		FEEDMO
C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1	ZINC000368573024	556349837	/nfs/dbraw/zinc/34/98/37/556349837.db2.gz	QCEFJUFVWHBRFF-ZWKOTPCHSA-N	1	1	366.396	2.197	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1	ZINC000368573024	556349839	/nfs/dbraw/zinc/34/98/39/556349839.db2.gz	QCEFJUFVWHBRFF-ZWKOTPCHSA-N	1	1	366.396	2.197	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](Cc2nnc3ccccn32)C1	ZINC000368775858	556410788	/nfs/dbraw/zinc/41/07/88/556410788.db2.gz	UWRJWMABAUHGJP-QGZVFWFLSA-N	1	1	355.486	2.408	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1	ZINC000368849698	556428910	/nfs/dbraw/zinc/42/89/10/556428910.db2.gz	DSVPWBSJRCNEQF-KRWDZBQOSA-N	1	1	370.478	2.144	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](n3cncn3)C2)cc1	ZINC000368871694	556434508	/nfs/dbraw/zinc/43/45/08/556434508.db2.gz	AYGSIYJTZPRWQU-AEFFLSMTSA-N	1	1	352.442	2.169	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](n3cncn3)C2)cc1	ZINC000368871694	556434513	/nfs/dbraw/zinc/43/45/13/556434513.db2.gz	AYGSIYJTZPRWQU-AEFFLSMTSA-N	1	1	352.442	2.169	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3c[nH]c4ccccc34)CC2)C1=O	ZINC000369193478	556531775	/nfs/dbraw/zinc/53/17/75/556531775.db2.gz	LCUXTIHCUJDRLH-IBGZPJMESA-N	1	1	366.465	2.103	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3c[nH]c4ccccc34)CC2)C1=O	ZINC000369193478	556531776	/nfs/dbraw/zinc/53/17/76/556531776.db2.gz	LCUXTIHCUJDRLH-IBGZPJMESA-N	1	1	366.465	2.103	20	30		FEEDMO
COC[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000369260472	556554015	/nfs/dbraw/zinc/55/40/15/556554015.db2.gz	VZMKKOVFPPSDTC-INIZCTEOSA-N	1	1	367.453	2.431	20	30		FEEDMO
COC[C@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000369260472	556554020	/nfs/dbraw/zinc/55/40/20/556554020.db2.gz	VZMKKOVFPPSDTC-INIZCTEOSA-N	1	1	367.453	2.431	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCc2cc(OC)c(OC)cc2CC1	ZINC000369384878	556586176	/nfs/dbraw/zinc/58/61/76/556586176.db2.gz	GUMAVAXGXWRBEI-OAHLLOKOSA-N	1	1	359.470	2.113	20	30		FEEDMO
CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369390365	556588138	/nfs/dbraw/zinc/58/81/38/556588138.db2.gz	ZMWUCHVOMUOUEY-CQSZACIVSA-N	1	1	368.441	2.213	20	30		FEEDMO
COc1ccc([C@@H]2[C@H](CNC(=O)N3CCO[C@@H](C#N)C3)CCC[N@H+]2C)cc1	ZINC000369399113	556590747	/nfs/dbraw/zinc/59/07/47/556590747.db2.gz	ADZMNSFIFGGZBI-YTQUADARSA-N	1	1	372.469	2.012	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000369808855	556701259	/nfs/dbraw/zinc/70/12/59/556701259.db2.gz	NWDGJOZHCJFTSF-FUHWJXTLSA-N	1	1	356.470	2.072	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000369808855	556701260	/nfs/dbraw/zinc/70/12/60/556701260.db2.gz	NWDGJOZHCJFTSF-FUHWJXTLSA-N	1	1	356.470	2.072	20	30		FEEDMO
C=CCC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000369956480	556741081	/nfs/dbraw/zinc/74/10/81/556741081.db2.gz	BZTBIEGWFYGIRJ-LEWJYISDSA-N	1	1	371.525	2.259	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)CC2)o1	ZINC000370016495	556758491	/nfs/dbraw/zinc/75/84/91/556758491.db2.gz	BKVAIACSCUNEPC-MRXNPFEDSA-N	1	1	371.485	2.204	20	30		FEEDMO
C=CCN1CC(=O)N([C@@H]2CC[N@@H+](C3CC3)[C@@H]2c2cccc(OC)c2)C1=O	ZINC000370445431	556875552	/nfs/dbraw/zinc/87/55/52/556875552.db2.gz	UUBCVVMZDZZPHI-IEBWSBKVSA-N	1	1	355.438	2.423	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCCC[C@@H]3[C@H]3CNC(=O)C3)C2=O)cc1	ZINC000370500030	556891437	/nfs/dbraw/zinc/89/14/37/556891437.db2.gz	OSLGEHCLLHFWTF-QRQLOZEOSA-N	1	1	366.465	2.044	20	30		FEEDMO
C[C@@H](C(=O)NCC1CCN(c2ccccc2C#N)CC1)[NH+]1CCSCC1	ZINC000371015078	557045411	/nfs/dbraw/zinc/04/54/11/557045411.db2.gz	GSYFYCKBKXZFGB-INIZCTEOSA-N	1	1	372.538	2.328	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1OC	ZINC000371404684	557175065	/nfs/dbraw/zinc/17/50/65/557175065.db2.gz	SLAJMCDELYEVMX-LJQANCHMSA-N	1	1	374.481	2.473	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1OC	ZINC000371404684	557175070	/nfs/dbraw/zinc/17/50/70/557175070.db2.gz	SLAJMCDELYEVMX-LJQANCHMSA-N	1	1	374.481	2.473	20	30		FEEDMO
CN(C(=O)[C@H]1CC12CC[NH+](CC(=O)NC1(C#N)CCCCC1)CC2)C1CC1	ZINC000371549903	557218736	/nfs/dbraw/zinc/21/87/36/557218736.db2.gz	BFMDQNUCKWVQRN-QGZVFWFLSA-N	1	1	372.513	2.052	20	30		FEEDMO
CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000371834214	557306895	/nfs/dbraw/zinc/30/68/95/557306895.db2.gz	HZZLYCABGUGFCA-NSHDSACASA-N	1	1	357.439	2.178	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3cc(C)ncc3C#N)C2)CC1	ZINC000518364481	562109759	/nfs/dbraw/zinc/10/97/59/562109759.db2.gz	ZIHMNVQCMOLHJY-GOSISDBHSA-N	1	1	355.486	2.032	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1	ZINC000372370977	557452541	/nfs/dbraw/zinc/45/25/41/557452541.db2.gz	VDFQLVOUFOCJIX-MRXNPFEDSA-N	1	1	352.442	2.658	20	30		FEEDMO
CC(C)NC(=O)CN1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)CC1	ZINC000372391449	557458892	/nfs/dbraw/zinc/45/88/92/557458892.db2.gz	JMOWEJOANWUPAN-UHFFFAOYSA-N	1	1	372.513	2.401	20	30		FEEDMO
CC(C)NC(=O)C[N@@H+]1CCCN(Cc2cccc(OCCCC#N)c2)CC1	ZINC000372391449	557458894	/nfs/dbraw/zinc/45/88/94/557458894.db2.gz	JMOWEJOANWUPAN-UHFFFAOYSA-N	1	1	372.513	2.401	20	30		FEEDMO
CC(C)NC(=O)C[N@H+]1CCCN(Cc2cccc(OCCCC#N)c2)CC1	ZINC000372391449	557458896	/nfs/dbraw/zinc/45/88/96/557458896.db2.gz	JMOWEJOANWUPAN-UHFFFAOYSA-N	1	1	372.513	2.401	20	30		FEEDMO
CC(C)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1	ZINC000372639465	557527370	/nfs/dbraw/zinc/52/73/70/557527370.db2.gz	NAFOJCZEXKKPBI-UHFFFAOYSA-N	1	1	362.861	2.340	20	30		FEEDMO
N#Cc1cccc(CNC(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000372728952	557548408	/nfs/dbraw/zinc/54/84/08/557548408.db2.gz	JZAGAZPNEVRTEM-ICSRJNTNSA-N	1	1	352.482	2.123	20	30		FEEDMO
CCOC(=O)c1n[nH]c(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n1	ZINC000373116405	557631764	/nfs/dbraw/zinc/63/17/64/557631764.db2.gz	VNJADIJKGGVSOZ-UHFFFAOYSA-N	1	1	357.389	2.372	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@](O)(C2CC2)C1	ZINC000373240169	557656199	/nfs/dbraw/zinc/65/61/99/557656199.db2.gz	CDTOSONFVBHYDP-FOIQADDNSA-N	1	1	357.454	2.177	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)n1	ZINC000373401097	557687275	/nfs/dbraw/zinc/68/72/75/557687275.db2.gz	UYKMALPMMQBRKV-INIZCTEOSA-N	1	1	370.844	2.246	20	30		FEEDMO
C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)N(CCC#N)CCC#N)C1	ZINC000373909826	557784702	/nfs/dbraw/zinc/78/47/02/557784702.db2.gz	DSLIRZGBMNPXDI-YRXWBPOGSA-N	1	1	360.502	2.294	20	30		FEEDMO
C=CCN(C[C@H](O)CO[C@@H](C)COC)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000373910586	557785116	/nfs/dbraw/zinc/78/51/16/557785116.db2.gz	ZYUMZEGANJVHJY-JBACZVJFSA-N	1	1	362.514	2.161	20	30		FEEDMO
C=CC[N@@H+](C[C@H](O)CO[C@@H](C)COC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000373910586	557785118	/nfs/dbraw/zinc/78/51/18/557785118.db2.gz	ZYUMZEGANJVHJY-JBACZVJFSA-N	1	1	362.514	2.161	20	30		FEEDMO
C=CC[N@H+](C[C@H](O)CO[C@@H](C)COC)[C@H]1CCN(Cc2ccccc2)C1	ZINC000373910586	557785120	/nfs/dbraw/zinc/78/51/20/557785120.db2.gz	ZYUMZEGANJVHJY-JBACZVJFSA-N	1	1	362.514	2.161	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCCc2cccc(C#N)c2)C[C@H](C)O1	ZINC000374265174	557854798	/nfs/dbraw/zinc/85/47/98/557854798.db2.gz	MOROSTARIZMEQS-QKLQHJQFSA-N	1	1	370.497	2.384	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCCc2cccc(C#N)c2)C[C@H](C)O1	ZINC000374265174	557854802	/nfs/dbraw/zinc/85/48/02/557854802.db2.gz	MOROSTARIZMEQS-QKLQHJQFSA-N	1	1	370.497	2.384	20	30		FEEDMO
C[N@H+](C[C@H]1CC12CCN(CC(=O)NCc1ccc(C#N)cc1)CC2)C1CC1	ZINC000374298322	557861055	/nfs/dbraw/zinc/86/10/55/557861055.db2.gz	VSGCWGIOGMAKOC-LJQANCHMSA-N	1	1	366.509	2.371	20	30		FEEDMO
C[N@@H+](C[C@H]1CC12CCN(CC(=O)NCc1ccc(C#N)cc1)CC2)C1CC1	ZINC000374298322	557861057	/nfs/dbraw/zinc/86/10/57/557861057.db2.gz	VSGCWGIOGMAKOC-LJQANCHMSA-N	1	1	366.509	2.371	20	30		FEEDMO
CN(C(=O)CC[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)c1ccccc1	ZINC000374385040	557876377	/nfs/dbraw/zinc/87/63/77/557876377.db2.gz	KKEFUGOEAIXBEW-ZHRRBRCNSA-N	1	1	374.444	2.385	20	30		FEEDMO
CN(C(=O)CC[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)c1ccccc1	ZINC000374385040	557876378	/nfs/dbraw/zinc/87/63/78/557876378.db2.gz	KKEFUGOEAIXBEW-ZHRRBRCNSA-N	1	1	374.444	2.385	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CCCC2(C#N)CCOCC2)O1	ZINC000374558631	557899639	/nfs/dbraw/zinc/89/96/39/557899639.db2.gz	ALJCHRJERMCZSR-NCOADZHNSA-N	1	1	350.459	2.270	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1	ZINC000374618681	557907342	/nfs/dbraw/zinc/90/73/42/557907342.db2.gz	MJINAAXKIHDUTG-GJZGRUSLSA-N	1	1	374.489	2.046	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1	ZINC000374618681	557907344	/nfs/dbraw/zinc/90/73/44/557907344.db2.gz	MJINAAXKIHDUTG-GJZGRUSLSA-N	1	1	374.489	2.046	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](CNC(=O)c4ccco4)C3)n2c1	ZINC000375028228	557966601	/nfs/dbraw/zinc/96/66/01/557966601.db2.gz	VWPPTHSCKHMOPW-INIZCTEOSA-N	1	1	363.421	2.441	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](CNC(=O)c4ccco4)C3)n2c1	ZINC000375028228	557966602	/nfs/dbraw/zinc/96/66/02/557966602.db2.gz	VWPPTHSCKHMOPW-INIZCTEOSA-N	1	1	363.421	2.441	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](CNC(=O)c4ccco4)C3)n2c1	ZINC000375028230	557966627	/nfs/dbraw/zinc/96/66/27/557966627.db2.gz	VWPPTHSCKHMOPW-MRXNPFEDSA-N	1	1	363.421	2.441	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](CNC(=O)c4ccco4)C3)n2c1	ZINC000375028230	557966629	/nfs/dbraw/zinc/96/66/29/557966629.db2.gz	VWPPTHSCKHMOPW-MRXNPFEDSA-N	1	1	363.421	2.441	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCNC(=O)[C@H]1CC(C)C	ZINC000521279085	562173442	/nfs/dbraw/zinc/17/34/42/562173442.db2.gz	YQXYARROKKGEGD-RBUKOAKNSA-N	1	1	360.498	2.391	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](n3cncn3)C2)c1C	ZINC000375336081	558011183	/nfs/dbraw/zinc/01/11/83/558011183.db2.gz	YWYXJPXBWFPLGF-QGZVFWFLSA-N	1	1	352.442	2.089	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](n3cncn3)C2)c1C	ZINC000375336081	558011184	/nfs/dbraw/zinc/01/11/84/558011184.db2.gz	YWYXJPXBWFPLGF-QGZVFWFLSA-N	1	1	352.442	2.089	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1OC	ZINC000375384597	558018819	/nfs/dbraw/zinc/01/88/19/558018819.db2.gz	OZFJCHJCGQRYFG-CHWSQXEVSA-N	1	1	358.360	2.356	20	30		FEEDMO
C[C@H](CO)[N@H+]1CCCN(Cc2cccn2Cc2ccccc2C#N)CC1	ZINC000375487937	558036246	/nfs/dbraw/zinc/03/62/46/558036246.db2.gz	YGJHDJPFNJDQBF-GOSISDBHSA-N	1	1	352.482	2.297	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC[C@@H]3Cn3ccnn3)C2=O)cc1	ZINC000375692288	558068503	/nfs/dbraw/zinc/06/85/03/558068503.db2.gz	OTLZIJKXTPEAEI-MOPGFXCFSA-N	1	1	364.453	2.200	20	30		FEEDMO
N#Cc1ccccc1N1CCC(CNC(=O)NCC[N@@H+]2CC=CCC2)CC1	ZINC000375694647	558068772	/nfs/dbraw/zinc/06/87/72/558068772.db2.gz	YNUVKRKSBHQMLY-UHFFFAOYSA-N	1	1	367.497	2.336	20	30		FEEDMO
Cc1cc(C)nc(C2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)n1	ZINC000375701105	558069872	/nfs/dbraw/zinc/06/98/72/558069872.db2.gz	ARYSMLDZIMDAOZ-UHFFFAOYSA-N	1	1	363.465	2.461	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cnn(C(C)C)c2)CC1	ZINC000376047750	558119062	/nfs/dbraw/zinc/11/90/62/558119062.db2.gz	OCZXHZFBOIJXDE-RTBURBONSA-N	1	1	360.502	2.480	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2cnn(C(C)C)c2)CC1	ZINC000376047750	558119063	/nfs/dbraw/zinc/11/90/63/558119063.db2.gz	OCZXHZFBOIJXDE-RTBURBONSA-N	1	1	360.502	2.480	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)C1([NH+]2CCN(C)CC2)CCCC1	ZINC000376204539	558140745	/nfs/dbraw/zinc/14/07/45/558140745.db2.gz	CRVYLJYIHBNZFA-FQEVSTJZSA-N	1	1	353.510	2.297	20	30		FEEDMO
CN(CCC#N)C(=O)CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000376282492	558151776	/nfs/dbraw/zinc/15/17/76/558151776.db2.gz	AQAJBTVDRKOGPL-UXHICEINSA-N	1	1	354.498	2.487	20	30		FEEDMO
Cn1cc([C@H]2[C@@H](CNC(=O)NCC(C)(C)CCC#N)CCC[N@H+]2C)cn1	ZINC000376672400	558206212	/nfs/dbraw/zinc/20/62/12/558206212.db2.gz	MOGHNDKKDZVHBS-NVXWUHKLSA-N	1	1	360.506	2.432	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000377239774	558296248	/nfs/dbraw/zinc/29/62/48/558296248.db2.gz	RJXOZAWZLVHPFM-SFTDATJTSA-N	1	1	368.525	2.042	20	30		FEEDMO
C=CCN(C(=O)NCC[C@H]1CCC(=O)N1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000377265186	558301570	/nfs/dbraw/zinc/30/15/70/558301570.db2.gz	LVCOKKRBOJPTTM-RTBURBONSA-N	1	1	370.497	2.127	20	30		FEEDMO
C=CC[N@H+](CC(=O)N(C)CC1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000522220727	562194631	/nfs/dbraw/zinc/19/46/31/562194631.db2.gz	VOLMDMGMDUJSQI-HNNXBMFYSA-N	1	1	354.458	2.080	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N(C)CC1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000522220727	562194632	/nfs/dbraw/zinc/19/46/32/562194632.db2.gz	VOLMDMGMDUJSQI-HNNXBMFYSA-N	1	1	354.458	2.080	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1	ZINC000522061900	562190652	/nfs/dbraw/zinc/19/06/52/562190652.db2.gz	BHAAQOMGLNKROF-GOSISDBHSA-N	1	1	361.486	2.407	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](CC(N)=O)C2)c1	ZINC000377490135	558350085	/nfs/dbraw/zinc/35/00/85/558350085.db2.gz	KQOOTEAOBSILOR-IRXDYDNUSA-N	1	1	356.470	2.136	20	30		FEEDMO
COc1cc(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)ccc1C#N	ZINC000377690387	558398004	/nfs/dbraw/zinc/39/80/04/558398004.db2.gz	GGVSPNPTAVEVKW-ZWKOTPCHSA-N	1	1	373.453	2.436	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1	ZINC000378207439	558502869	/nfs/dbraw/zinc/50/28/69/558502869.db2.gz	RHTWYOIJWARQSF-CQSZACIVSA-N	1	1	354.454	2.281	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000523638955	562216435	/nfs/dbraw/zinc/21/64/35/562216435.db2.gz	OWIZUUPQMGLHGR-GOSISDBHSA-N	1	1	368.481	2.268	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1	ZINC000409479238	558695496	/nfs/dbraw/zinc/69/54/96/558695496.db2.gz	PTZZITIQJHBRHD-CVEARBPZSA-N	1	1	370.906	2.155	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1	ZINC000409479238	558695500	/nfs/dbraw/zinc/69/55/00/558695500.db2.gz	PTZZITIQJHBRHD-CVEARBPZSA-N	1	1	370.906	2.155	20	30		FEEDMO
C=CCNC(=O)NC(=O)CN(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000524599482	562230961	/nfs/dbraw/zinc/23/09/61/562230961.db2.gz	KJJPNUWDVYHCGE-SJLPKXTDSA-N	1	1	358.486	2.156	20	30		FEEDMO
C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000410127022	558740424	/nfs/dbraw/zinc/74/04/24/558740424.db2.gz	HPVULHOEQGWJBV-NSHDSACASA-N	1	1	361.389	2.292	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000410127022	558740427	/nfs/dbraw/zinc/74/04/27/558740427.db2.gz	HPVULHOEQGWJBV-NSHDSACASA-N	1	1	361.389	2.292	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1	ZINC000410362478	558753221	/nfs/dbraw/zinc/75/32/21/558753221.db2.gz	YIRWGRHVRNESNP-CQSZACIVSA-N	1	1	373.482	2.099	20	30		FEEDMO
CC(C)OC[C@@H](CO)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000411640354	558934031	/nfs/dbraw/zinc/93/40/31/558934031.db2.gz	VQXZPZSLAQQBED-OAHLLOKOSA-N	1	1	353.850	2.258	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000411973211	558998114	/nfs/dbraw/zinc/99/81/14/558998114.db2.gz	WWGGFURWKNZKSG-VFNWGFHPSA-N	1	1	362.433	2.014	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000412679503	559050304	/nfs/dbraw/zinc/05/03/04/559050304.db2.gz	WZOXLLPMMKVFKX-YSTOQKLRSA-N	1	1	358.482	2.231	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](CCN(C)C)CC1	ZINC000413106259	559078487	/nfs/dbraw/zinc/07/84/87/559078487.db2.gz	ZVXOHBOBOLAXTK-FQEVSTJZSA-N	1	1	358.530	2.499	20	30		FEEDMO
COCC(COC)[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1	ZINC000413478775	559110889	/nfs/dbraw/zinc/11/08/89/559110889.db2.gz	SDMSIKTZLSEEIY-UHFFFAOYSA-N	1	1	357.376	2.360	20	30		FEEDMO
COCC(COC)[NH+]1CCN(c2nc3ccccc3c(C)c2C#N)CC1	ZINC000413481836	559111211	/nfs/dbraw/zinc/11/12/11/559111211.db2.gz	ULVCYQQLDOFRLK-UHFFFAOYSA-N	1	1	354.454	2.198	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C	ZINC000416772928	559332191	/nfs/dbraw/zinc/33/21/91/559332191.db2.gz	SKVHVUFZWOKVER-CABCVRRESA-N	1	1	360.458	2.264	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C	ZINC000416772928	559332192	/nfs/dbraw/zinc/33/21/92/559332192.db2.gz	SKVHVUFZWOKVER-CABCVRRESA-N	1	1	360.458	2.264	20	30		FEEDMO
COc1ccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1OCCCC#N	ZINC000418123747	559391096	/nfs/dbraw/zinc/39/10/96/559391096.db2.gz	YPNUTKONAKRMAN-SJORKVTESA-N	1	1	361.486	2.265	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)NCC2(C#N)CCC2)CC1	ZINC000419419878	559441296	/nfs/dbraw/zinc/44/12/96/559441296.db2.gz	ZQKVOMUMCBJGTM-UHFFFAOYSA-N	1	1	369.513	2.317	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC1(C#N)CCC1	ZINC000419458787	559443321	/nfs/dbraw/zinc/44/33/21/559443321.db2.gz	FFHAUQIGILJXAB-KRWDZBQOSA-N	1	1	355.486	2.190	20	30		FEEDMO
C=CCC[C@@H]1NC(=O)N(Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1=O	ZINC000419950265	559465988	/nfs/dbraw/zinc/46/59/88/559465988.db2.gz	MBNYUCVLYPLLLO-YJBOKZPZSA-N	1	1	357.454	2.294	20	30		FEEDMO
C=CCC[C@@H]1NC(=O)N(Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1=O	ZINC000419950265	559465989	/nfs/dbraw/zinc/46/59/89/559465989.db2.gz	MBNYUCVLYPLLLO-YJBOKZPZSA-N	1	1	357.454	2.294	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C	ZINC000420920010	559511379	/nfs/dbraw/zinc/51/13/79/559511379.db2.gz	AMEDMBBLGJPXHN-BZUAXINKSA-N	1	1	351.491	2.437	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C	ZINC000420920010	559511380	/nfs/dbraw/zinc/51/13/80/559511380.db2.gz	AMEDMBBLGJPXHN-BZUAXINKSA-N	1	1	351.491	2.437	20	30		FEEDMO
CC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1	ZINC000420976618	559516037	/nfs/dbraw/zinc/51/60/37/559516037.db2.gz	BDBYRFTZYXZQIU-OCCSQVGLSA-N	1	1	374.510	2.284	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NCC(C)(C)CC#N	ZINC000421407246	559541536	/nfs/dbraw/zinc/54/15/36/559541536.db2.gz	VPWHLVPQCGHTCK-UHFFFAOYSA-N	1	1	358.486	2.199	20	30		FEEDMO
C[NH+]1CCN([C@@H](C(=O)NCc2ccc(C#N)s2)c2ccccc2)CC1	ZINC000421603243	559546087	/nfs/dbraw/zinc/54/60/87/559546087.db2.gz	VBTRQTRVRNPXHP-GOSISDBHSA-N	1	1	354.479	2.225	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCc1ccc(C#N)s1	ZINC000422220263	559572175	/nfs/dbraw/zinc/57/21/75/559572175.db2.gz	SBQLJVIIRQZPJR-UHFFFAOYSA-N	1	1	350.488	2.120	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000422301039	559576966	/nfs/dbraw/zinc/57/69/66/559576966.db2.gz	WBAYHCKEJDQNPH-RBUKOAKNSA-N	1	1	369.509	2.423	20	30		FEEDMO
C[C@@H](CCNC(=O)C(=O)NCC(C)(C)CC#N)[N@@H+](C)Cc1ccccc1	ZINC000422395111	559584834	/nfs/dbraw/zinc/58/48/34/559584834.db2.gz	FGCURWGMCMJUHU-INIZCTEOSA-N	1	1	358.486	2.069	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)[C@@H](C)C[N@@H+]1Cc1ccccc1	ZINC000422483933	559591107	/nfs/dbraw/zinc/59/11/07/559591107.db2.gz	YKAANAYRCRZGIA-SJORKVTESA-N	1	1	370.497	2.164	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)[C@@H](C)C[N@H+]1Cc1ccccc1	ZINC000422483933	559591108	/nfs/dbraw/zinc/59/11/08/559591108.db2.gz	YKAANAYRCRZGIA-SJORKVTESA-N	1	1	370.497	2.164	20	30		FEEDMO
N#CCCC[C@H]([NH3+])C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1	ZINC000424192379	559657268	/nfs/dbraw/zinc/65/72/68/559657268.db2.gz	SCTWTEZVRWUQRX-QWHCGFSZSA-N	1	1	366.347	2.050	20	30		FEEDMO
C=CCC1(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCOCC1	ZINC000424686100	559673533	/nfs/dbraw/zinc/67/35/33/559673533.db2.gz	UIWFGYUVQCPBME-GOSISDBHSA-N	1	1	372.513	2.081	20	30		FEEDMO
C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1	ZINC000424710870	559674318	/nfs/dbraw/zinc/67/43/18/559674318.db2.gz	VCEXROYOFJCZJY-SJLPKXTDSA-N	1	1	353.470	2.495	20	30		FEEDMO
C=CCC1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CCOCC1	ZINC000424723020	559674707	/nfs/dbraw/zinc/67/47/07/559674707.db2.gz	OMLJFSOCIPJPSV-SFHVURJKSA-N	1	1	371.481	2.448	20	30		FEEDMO
C=CCC1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CCOCC1	ZINC000424723020	559674708	/nfs/dbraw/zinc/67/47/08/559674708.db2.gz	OMLJFSOCIPJPSV-SFHVURJKSA-N	1	1	371.481	2.448	20	30		FEEDMO
C=CCCn1cc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)nn1	ZINC000424807537	559677330	/nfs/dbraw/zinc/67/73/30/559677330.db2.gz	SQRJCEKRSZYNCL-QGZVFWFLSA-N	1	1	371.510	2.202	20	30		FEEDMO
C=CCCn1cc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)nn1	ZINC000424807537	559677331	/nfs/dbraw/zinc/67/73/31/559677331.db2.gz	SQRJCEKRSZYNCL-QGZVFWFLSA-N	1	1	371.510	2.202	20	30		FEEDMO
CC(C)(CC#N)CS(=O)(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425200394	559690855	/nfs/dbraw/zinc/69/08/55/559690855.db2.gz	HSKZVLIAOGEZSB-ZWKOTPCHSA-N	1	1	361.511	2.462	20	30		FEEDMO
Cc1cc(N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C#N)cn1	ZINC000425244915	559693091	/nfs/dbraw/zinc/69/30/91/559693091.db2.gz	IBHFYCDIBGWKSN-IRXDYDNUSA-N	1	1	358.486	2.356	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2	ZINC000425389022	559699514	/nfs/dbraw/zinc/69/95/14/559699514.db2.gz	TUJVVXUJLVGEBF-IIBYNOLFSA-N	1	1	368.481	2.022	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1	ZINC000527327065	562285473	/nfs/dbraw/zinc/28/54/73/562285473.db2.gz	HZMRDPUKIUMBRS-UHFFFAOYSA-N	1	1	356.470	2.384	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)nn1	ZINC000425430209	559702057	/nfs/dbraw/zinc/70/20/57/559702057.db2.gz	DPVIDRLMPKLPJL-IBGZPJMESA-N	1	1	368.485	2.318	20	30		FEEDMO
C=CCn1cc(CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)nn1	ZINC000425471984	559704172	/nfs/dbraw/zinc/70/41/72/559704172.db2.gz	HVYFXYUDPNCVRF-MRXNPFEDSA-N	1	1	356.474	2.174	20	30		FEEDMO
CNC(=O)[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000425535650	559708209	/nfs/dbraw/zinc/70/82/09/559708209.db2.gz	NRWUBMKDZMEQEN-MGPUTAFESA-N	1	1	364.449	2.155	20	30		FEEDMO
CNC(=O)[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000425535650	559708210	/nfs/dbraw/zinc/70/82/10/559708210.db2.gz	NRWUBMKDZMEQEN-MGPUTAFESA-N	1	1	364.449	2.155	20	30		FEEDMO
N#C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C1	ZINC000425718621	559715980	/nfs/dbraw/zinc/71/59/80/559715980.db2.gz	ABKPPXDIISPLRI-IPELMVKDSA-N	1	1	356.470	2.135	20	30		FEEDMO
C=CCC[C@H](C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1	ZINC000427776301	559762097	/nfs/dbraw/zinc/76/20/97/559762097.db2.gz	HZHIFUOPVKQGHD-IBGZPJMESA-N	1	1	357.498	2.359	20	30		FEEDMO
CCC(CC)[C@H](CNC(=O)c1ncc(C#N)cc1Cl)[NH+]1CCOCC1	ZINC000427919622	559765329	/nfs/dbraw/zinc/76/53/29/559765329.db2.gz	YWKGMPYHGOKIJJ-INIZCTEOSA-N	1	1	364.877	2.473	20	30		FEEDMO
CCc1ccc([C@H](CNS(=O)(=O)c2cccnc2C#N)[NH+](C)C)cc1	ZINC000428241685	559772003	/nfs/dbraw/zinc/77/20/03/559772003.db2.gz	RNXAPMWCVBFAPJ-KRWDZBQOSA-N	1	1	358.467	2.097	20	30		FEEDMO
CC[C@H](CNS(=O)(=O)c1cccnc1C#N)[N@@H+]1CCc2ccccc2C1	ZINC000428263951	559772515	/nfs/dbraw/zinc/77/25/15/559772515.db2.gz	KXEYYEGOHFHFFM-QGZVFWFLSA-N	1	1	370.478	2.068	20	30		FEEDMO
CC[C@H](CNS(=O)(=O)c1cccnc1C#N)[N@H+]1CCc2ccccc2C1	ZINC000428263951	559772516	/nfs/dbraw/zinc/77/25/16/559772516.db2.gz	KXEYYEGOHFHFFM-QGZVFWFLSA-N	1	1	370.478	2.068	20	30		FEEDMO
N#Cc1cnc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c(Cl)c1	ZINC000428551370	559777979	/nfs/dbraw/zinc/77/79/79/559777979.db2.gz	SJFIVMQGFQYWLF-OAHLLOKOSA-N	1	1	356.813	2.426	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)OCC	ZINC000428974349	559787060	/nfs/dbraw/zinc/78/70/60/559787060.db2.gz	FGAAKKFVOVWHTM-PZJWPPBQSA-N	1	1	360.498	2.453	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000527336918	562285918	/nfs/dbraw/zinc/28/59/18/562285918.db2.gz	MPMCKFQLKOEBFV-UHFFFAOYSA-N	1	1	368.441	2.148	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000433062014	559870923	/nfs/dbraw/zinc/87/09/23/559870923.db2.gz	RKTLCUFOJXFRIS-AWEZNQCLSA-N	1	1	359.451	2.277	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1	ZINC000434748315	559908322	/nfs/dbraw/zinc/90/83/22/559908322.db2.gz	RKZHOHSMQKIMLE-SAJDGTNDSA-N	1	1	371.529	2.449	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000434748315	559908323	/nfs/dbraw/zinc/90/83/23/559908323.db2.gz	RKZHOHSMQKIMLE-SAJDGTNDSA-N	1	1	371.529	2.449	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000434748315	559908324	/nfs/dbraw/zinc/90/83/24/559908324.db2.gz	RKZHOHSMQKIMLE-SAJDGTNDSA-N	1	1	371.529	2.449	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c(-c2ccncc2)n1	ZINC000434985208	559913927	/nfs/dbraw/zinc/91/39/27/559913927.db2.gz	GZQJQBBIOVQAGD-INIZCTEOSA-N	1	1	365.359	2.358	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c(-c2ccncc2)n1	ZINC000434985208	559913928	/nfs/dbraw/zinc/91/39/28/559913928.db2.gz	GZQJQBBIOVQAGD-INIZCTEOSA-N	1	1	365.359	2.358	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000435687454	559928117	/nfs/dbraw/zinc/92/81/17/559928117.db2.gz	GBKWZRYYFZWVOE-HNNXBMFYSA-N	1	1	366.421	2.409	20	30		FEEDMO
CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1	ZINC000435770859	559929877	/nfs/dbraw/zinc/92/98/77/559929877.db2.gz	RGXPOLSAZLPIQQ-QGZVFWFLSA-N	1	1	365.499	2.130	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000437625555	559966914	/nfs/dbraw/zinc/96/69/14/559966914.db2.gz	PDGWBLNKLCLEKB-UXHICEINSA-N	1	1	373.497	2.299	20	30		FEEDMO
CC(C)(C)OC(=O)CN[C@]1(C)CC[N@@H+](CCOc2ccccc2C#N)C1	ZINC000440537329	560014022	/nfs/dbraw/zinc/01/40/22/560014022.db2.gz	YZHPAWZHNYYGBQ-HXUWFJFHSA-N	1	1	359.470	2.333	20	30		FEEDMO
CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C#N)c(O)c1	ZINC000442937543	560062756	/nfs/dbraw/zinc/06/27/56/560062756.db2.gz	CVXJOGRTFKKZDJ-KRWDZBQOSA-N	1	1	373.453	2.144	20	30		FEEDMO
CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(C#N)c(O)c1	ZINC000442937543	560062757	/nfs/dbraw/zinc/06/27/57/560062757.db2.gz	CVXJOGRTFKKZDJ-KRWDZBQOSA-N	1	1	373.453	2.144	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@H+]1C	ZINC000443468401	560084773	/nfs/dbraw/zinc/08/47/73/560084773.db2.gz	OCNIYGBAYGSSFN-GWCFXTLKSA-N	1	1	372.288	2.082	20	30		FEEDMO
CC1(C)CCC[N@@H+](CCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000445126019	560129384	/nfs/dbraw/zinc/12/93/84/560129384.db2.gz	ZTVXHXSHHJEYCT-UHFFFAOYSA-N	1	1	367.457	2.382	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(C#N)n2C)C[C@H](C)O1	ZINC000448714133	560196082	/nfs/dbraw/zinc/19/60/82/560196082.db2.gz	NZUSCECLPDBYCM-IYBDPMFKSA-N	1	1	366.465	2.436	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccc(C#N)n2C)C[C@H](C)O1	ZINC000448714133	560196083	/nfs/dbraw/zinc/19/60/83/560196083.db2.gz	NZUSCECLPDBYCM-IYBDPMFKSA-N	1	1	366.465	2.436	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)COc1ccc(C#N)c(Br)c1	ZINC000449172746	560219020	/nfs/dbraw/zinc/21/90/20/560219020.db2.gz	DDGGNIWFFSWJDT-CYBMUJFWSA-N	1	1	366.259	2.300	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000449927871	560245556	/nfs/dbraw/zinc/24/55/56/560245556.db2.gz	PJNAMXJAMZYMPR-OAHLLOKOSA-N	1	1	351.454	2.135	20	30		FEEDMO
C[C@@H](CNc1ncc(C#N)cc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1	ZINC000450257130	560255912	/nfs/dbraw/zinc/25/59/12/560255912.db2.gz	JTNCJPSSQUCORC-HNNXBMFYSA-N	1	1	366.425	2.484	20	30		FEEDMO
C[C@H]1[C@H](NC(=O)COc2cccc(Br)c2C#N)CCC[N@H+]1C	ZINC000450547016	560265728	/nfs/dbraw/zinc/26/57/28/560265728.db2.gz	LUOTZBZXGVSWRV-SMDDNHRTSA-N	1	1	366.259	2.298	20	30		FEEDMO
N#Cc1c(C#N)c(NC[C@H]2CCC[N@@H+]2CCCO)nc2c1CCCCCC2	ZINC000450591520	560267416	/nfs/dbraw/zinc/26/74/16/560267416.db2.gz	GHIPFVPMLINZGM-MRXNPFEDSA-N	1	1	367.497	2.743	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3ccc(C)c(C#N)n3)C2)CC1	ZINC000450775246	560272991	/nfs/dbraw/zinc/27/29/91/560272991.db2.gz	POCAHUCZHMJOOQ-SFHVURJKSA-N	1	1	355.486	2.032	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1	ZINC000451214739	560293560	/nfs/dbraw/zinc/29/35/60/560293560.db2.gz	XUJHOJMCNLSGMW-HZPDHXFCSA-N	1	1	362.518	2.331	20	30		FEEDMO
C[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](CO)c1ccc(Cl)cc1	ZINC000451329405	560300500	/nfs/dbraw/zinc/30/05/00/560300500.db2.gz	KGLXCVMGZIIJSU-SFHVURJKSA-N	1	1	357.841	2.493	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](CO)c1ccc(Cl)cc1	ZINC000451329405	560300501	/nfs/dbraw/zinc/30/05/01/560300501.db2.gz	KGLXCVMGZIIJSU-SFHVURJKSA-N	1	1	357.841	2.493	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1CS(C)(=O)=O	ZINC000451662632	560320501	/nfs/dbraw/zinc/32/05/01/560320501.db2.gz	VYFAEIZRZSAVTG-QZTJIDSGSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O	ZINC000451662632	560320502	/nfs/dbraw/zinc/32/05/02/560320502.db2.gz	VYFAEIZRZSAVTG-QZTJIDSGSA-N	1	1	367.511	2.054	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1C#N	ZINC000452792484	560374276	/nfs/dbraw/zinc/37/42/76/560374276.db2.gz	GHFXLKPCKDJHEJ-AWEZNQCLSA-N	1	1	374.510	2.129	20	30		FEEDMO
C=CCn1c([C@@H]2CCCCO2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000453440896	560386675	/nfs/dbraw/zinc/38/66/75/560386675.db2.gz	NMPVATNEBGEKDP-BBWFWOEESA-N	1	1	363.506	2.251	20	30		FEEDMO
C=CCn1c([C@@H]2CCCCO2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000453440896	560386676	/nfs/dbraw/zinc/38/66/76/560386676.db2.gz	NMPVATNEBGEKDP-BBWFWOEESA-N	1	1	363.506	2.251	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453704076	560398233	/nfs/dbraw/zinc/39/82/33/560398233.db2.gz	CZJORMNMOLAVKK-AWEZNQCLSA-N	1	1	372.469	2.227	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000453920823	560413293	/nfs/dbraw/zinc/41/32/93/560413293.db2.gz	RNTQFRZDTXEPGT-OFQRWUPVSA-N	1	1	372.494	2.182	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000453933941	560414399	/nfs/dbraw/zinc/41/43/99/560414399.db2.gz	LRBDKJPQRALEHB-IPELMVKDSA-N	1	1	371.481	2.317	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2	ZINC000453954620	560416340	/nfs/dbraw/zinc/41/63/40/560416340.db2.gz	RHCMSLRLUJIDGV-MSOLQXFVSA-N	1	1	357.454	2.201	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2	ZINC000453954620	560416341	/nfs/dbraw/zinc/41/63/41/560416341.db2.gz	RHCMSLRLUJIDGV-MSOLQXFVSA-N	1	1	357.454	2.201	20	30		FEEDMO
CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453959841	560416822	/nfs/dbraw/zinc/41/68/22/560416822.db2.gz	FVBVVBRKYIZXQQ-CQSZACIVSA-N	1	1	362.861	2.287	20	30		FEEDMO
CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453959841	560416823	/nfs/dbraw/zinc/41/68/23/560416823.db2.gz	FVBVVBRKYIZXQQ-CQSZACIVSA-N	1	1	362.861	2.287	20	30		FEEDMO
CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1	ZINC000454566843	560449842	/nfs/dbraw/zinc/44/98/42/560449842.db2.gz	PPDCWLVXEBWNSN-MRXNPFEDSA-N	1	1	357.502	2.335	20	30		FEEDMO
C=CC[C@H](CC)NC(=O)N1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1	ZINC000454912645	560463247	/nfs/dbraw/zinc/46/32/47/560463247.db2.gz	NCFJYKVQMDKIEA-OALUTQOASA-N	1	1	364.534	2.317	20	30		FEEDMO
Cc1onc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C	ZINC000455661629	560490934	/nfs/dbraw/zinc/49/09/34/560490934.db2.gz	ALRYSKNJCXJJCG-UHFFFAOYSA-N	1	1	353.426	2.903	20	30		FEEDMO
Cc1onc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C	ZINC000455661629	560490935	/nfs/dbraw/zinc/49/09/35/560490935.db2.gz	ALRYSKNJCXJJCG-UHFFFAOYSA-N	1	1	353.426	2.903	20	30		FEEDMO
CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000455711822	560492684	/nfs/dbraw/zinc/49/26/84/560492684.db2.gz	ZHTJROUYLBOGIV-AWEZNQCLSA-N	1	1	350.850	2.326	20	30		FEEDMO
N#CCc1ccc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(Cl)c1	ZINC000455735273	560493312	/nfs/dbraw/zinc/49/33/12/560493312.db2.gz	QGNVHDRCOZMCDD-CQSZACIVSA-N	1	1	350.850	2.374	20	30		FEEDMO
Cc1cc(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)ncc1C#N	ZINC000457586854	560576490	/nfs/dbraw/zinc/57/64/90/560576490.db2.gz	CFWDGFLJUPZCCD-QGZVFWFLSA-N	1	1	363.465	2.202	20	30		FEEDMO
CN(CC(C)(C)C#N)C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000457653702	560580127	/nfs/dbraw/zinc/58/01/27/560580127.db2.gz	OHENVYDXFVHXIA-UHFFFAOYSA-N	1	1	357.502	2.125	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1	ZINC000459006956	560661464	/nfs/dbraw/zinc/66/14/64/560661464.db2.gz	JFCGQOYWKONRRN-RNQOJCNYSA-N	1	1	370.497	2.251	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000459007511	560661584	/nfs/dbraw/zinc/66/15/84/560661584.db2.gz	JVVBYSUBYHMIBC-XKGZKEIXSA-N	1	1	356.470	2.005	20	30		FEEDMO
COCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1c(C)nn(C)c1C	ZINC000459560150	560694083	/nfs/dbraw/zinc/69/40/83/560694083.db2.gz	CEPXRGMJUHWXFY-UHFFFAOYSA-N	1	1	369.469	2.386	20	30		FEEDMO
C[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1cccc(C#N)c1	ZINC000462046624	560793945	/nfs/dbraw/zinc/79/39/45/560793945.db2.gz	KQBXXKRWSZYDIM-XLIONFOSSA-N	1	1	354.498	2.290	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000462139728	560798979	/nfs/dbraw/zinc/79/89/79/560798979.db2.gz	ZCJVCXZOAJLKEF-HZPDHXFCSA-N	1	1	356.470	2.451	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCc1cccc(Br)c1	ZINC000463417995	560813465	/nfs/dbraw/zinc/81/34/65/560813465.db2.gz	RDXXOCLRISUSJB-GFCCVEGCSA-N	1	1	368.275	2.324	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1	ZINC000464588012	560845983	/nfs/dbraw/zinc/84/59/83/560845983.db2.gz	PTGNHLMFKWRTAE-ZRGWGRIASA-N	1	1	351.491	2.483	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1	ZINC000464588012	560845984	/nfs/dbraw/zinc/84/59/84/560845984.db2.gz	PTGNHLMFKWRTAE-ZRGWGRIASA-N	1	1	351.491	2.483	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000467059686	560902689	/nfs/dbraw/zinc/90/26/89/560902689.db2.gz	VNSPNBDZNUNWOD-CXAGYDPISA-N	1	1	354.454	2.025	20	30		FEEDMO
C=CCC[N@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1	ZINC000467295150	560907939	/nfs/dbraw/zinc/90/79/39/560907939.db2.gz	JMTUYOIWVYIWFG-UHFFFAOYSA-N	1	1	356.426	2.495	20	30		FEEDMO
C[NH+](C)CCn1ccc(=NC(=O)c2cn(CCCC#N)c3ccccc23)[nH]1	ZINC000469066265	560946383	/nfs/dbraw/zinc/94/63/83/560946383.db2.gz	UCWVRWRHJLRDHS-UHFFFAOYSA-N	1	1	364.453	2.955	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1	ZINC000469377451	560953618	/nfs/dbraw/zinc/95/36/18/560953618.db2.gz	QZNHQDCYMMGUSP-MRXNPFEDSA-N	1	1	354.454	2.396	20	30		FEEDMO
O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1	ZINC000469780332	560964443	/nfs/dbraw/zinc/96/44/43/560964443.db2.gz	NOQFBVUTVVAEQM-MRVPVSSYSA-N	1	1	372.256	2.201	20	30		FEEDMO
CC(C)OC[C@@H](O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471010400	560996407	/nfs/dbraw/zinc/99/64/07/560996407.db2.gz	VZUSQJMPQYXSGN-ROUUACIJSA-N	1	1	351.878	2.308	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528366805	562325186	/nfs/dbraw/zinc/32/51/86/562325186.db2.gz	PSKBGDXCWCJYBE-QXAKKESOSA-N	1	1	373.497	2.315	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1	ZINC000528420964	562328310	/nfs/dbraw/zinc/32/83/10/562328310.db2.gz	MWGNADUIHSNMOM-IAGOWNOFSA-N	1	1	352.434	2.035	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1	ZINC000528435100	562329125	/nfs/dbraw/zinc/32/91/25/562329125.db2.gz	ZADFPKRWTTWPEF-IAGOWNOFSA-N	1	1	367.453	2.173	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1	ZINC000528435100	562329127	/nfs/dbraw/zinc/32/91/27/562329127.db2.gz	ZADFPKRWTTWPEF-IAGOWNOFSA-N	1	1	367.453	2.173	20	30		FEEDMO
CC(C)(C)[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1O	ZINC000528441368	562329533	/nfs/dbraw/zinc/32/95/33/562329533.db2.gz	UOLLHLDDFLOCRB-ZWKOTPCHSA-N	1	1	354.450	2.015	20	30		FEEDMO
COCC[C@@H]1CCCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528454113	562330217	/nfs/dbraw/zinc/33/02/17/562330217.db2.gz	SRIQTADURAZQMN-KRWDZBQOSA-N	1	1	354.450	2.425	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(Br)c(F)c2F)CC1	ZINC000528455842	562330397	/nfs/dbraw/zinc/33/03/97/562330397.db2.gz	LHTAKNRCAPXFSY-UHFFFAOYSA-N	1	1	358.186	2.445	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@H](OCC2CC2)C1	ZINC000528466783	562330922	/nfs/dbraw/zinc/33/09/22/562330922.db2.gz	WTJFOLUSSGRTDG-KRWDZBQOSA-N	1	1	352.434	2.177	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(C#N)(CC)CC)CC2)CC1	ZINC000528497357	562332432	/nfs/dbraw/zinc/33/24/32/562332432.db2.gz	KONMCGDTNGMPLE-UHFFFAOYSA-N	1	1	362.518	2.109	20	30		FEEDMO
Cn1cc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3C#N)CC2(C)C)cn1	ZINC000528513683	562333424	/nfs/dbraw/zinc/33/34/24/562333424.db2.gz	FJMBTOLGZPESMH-MSOLQXFVSA-N	1	1	354.454	2.157	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCOCC12CCCCC2	ZINC000528518635	562333622	/nfs/dbraw/zinc/33/36/22/562333622.db2.gz	JJQIEZBBKCKNOD-UHFFFAOYSA-N	1	1	352.434	2.321	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCOCC12CCCCC2	ZINC000528518635	562333623	/nfs/dbraw/zinc/33/36/23/562333623.db2.gz	JJQIEZBBKCKNOD-UHFFFAOYSA-N	1	1	352.434	2.321	20	30		FEEDMO
C[N@H+]1CCN(C[C@H](O)COc2ccccc2C#N)[C@H](Cc2ccccc2)C1	ZINC000528535421	562334878	/nfs/dbraw/zinc/33/48/78/562334878.db2.gz	UYIOOQDMRWLBDQ-RTWAWAEBSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@H+](C[C@H](O)COc2ccccc2C#N)[C@H](Cc2ccccc2)C1	ZINC000528535421	562334879	/nfs/dbraw/zinc/33/48/79/562334879.db2.gz	UYIOOQDMRWLBDQ-RTWAWAEBSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)[C@H](Cc2ccccc2)C1	ZINC000528535421	562334880	/nfs/dbraw/zinc/33/48/80/562334880.db2.gz	UYIOOQDMRWLBDQ-RTWAWAEBSA-N	1	1	365.477	2.157	20	30		FEEDMO
COc1cc(OC)cc(-n2nnnc2C[N@H+](C)CC(C)(C)CCC#N)c1	ZINC000535826148	562569109	/nfs/dbraw/zinc/56/91/09/562569109.db2.gz	LFKFRJGEQSZMAI-UHFFFAOYSA-N	1	1	358.446	2.441	20	30		FEEDMO
COc1cc(OC)cc(-n2nnnc2C[N@@H+](C)CC(C)(C)CCC#N)c1	ZINC000535826148	562569110	/nfs/dbraw/zinc/56/91/10/562569110.db2.gz	LFKFRJGEQSZMAI-UHFFFAOYSA-N	1	1	358.446	2.441	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC(CC#N)CC2)[C@H](C)C1	ZINC000541921105	562623418	/nfs/dbraw/zinc/62/34/18/562623418.db2.gz	ZOPGGBYGSBQVSE-AEFFLSMTSA-N	1	1	350.507	2.459	20	30		FEEDMO
C=C(C)C[C@H](NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)C(=O)OC	ZINC000601784606	567840544	/nfs/dbraw/zinc/84/05/44/567840544.db2.gz	FHRLPGNRMNIXTQ-INIZCTEOSA-N	1	1	365.499	2.288	20	30		FEEDMO
N#CC1(C[C@H](O)C[NH+]2CC(OCCCOc3ccccc3)C2)CCOCC1	ZINC000601960337	567887025	/nfs/dbraw/zinc/88/70/25/567887025.db2.gz	VAJPLSCYQWQNEM-SFHVURJKSA-N	1	1	374.481	2.228	20	30		FEEDMO
N#CCCN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1	ZINC000602198984	567950584	/nfs/dbraw/zinc/95/05/84/567950584.db2.gz	RHPHKHZROLQQQM-LEWJYISDSA-N	1	1	366.509	2.202	20	30		FEEDMO
C[C@@H]1CN(CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](C)N1CC#N	ZINC000602849391	568001019	/nfs/dbraw/zinc/00/10/19/568001019.db2.gz	LAZCYVACKSJYSM-WOJBJXKFSA-N	1	1	355.530	2.117	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1	ZINC000602890250	568007000	/nfs/dbraw/zinc/00/70/00/568007000.db2.gz	ZJZRIWXAJDCRPC-DOTOQJQBSA-N	1	1	351.454	2.427	20	30		FEEDMO
Cn1cc([C@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)CC2(C)C)cn1	ZINC000568468362	568041476	/nfs/dbraw/zinc/04/14/76/568041476.db2.gz	VYEUQALHOKRWCE-PKOBYXMFSA-N	1	1	354.454	2.157	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)n1cc(C[NH2+]Cc2ccccc2)nn1	ZINC000603177132	568068182	/nfs/dbraw/zinc/06/81/82/568068182.db2.gz	RFWBAGXCACBIBT-DNVCBOLYSA-N	1	1	354.458	2.183	20	30		FEEDMO
N#CCCN(C(=O)Cn1cc(C[NH+]2CCCCC2)nn1)c1ccccc1	ZINC000603163620	568069740	/nfs/dbraw/zinc/06/97/40/568069740.db2.gz	BBZDYKCVAUAUDO-UHFFFAOYSA-N	1	1	352.442	2.211	20	30		FEEDMO
Cc1[nH+]ccn1Cc1cn([C@@H](C)C(=O)N(CCC#N)c2ccccc2)nn1	ZINC000603172904	568071141	/nfs/dbraw/zinc/07/11/41/568071141.db2.gz	FQSUHIBZKNWPLV-HNNXBMFYSA-N	1	1	363.425	2.339	20	30		FEEDMO
COc1ccc(OC2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1	ZINC000603854612	568167650	/nfs/dbraw/zinc/16/76/50/568167650.db2.gz	HMXKQKJOCMLYEG-FQEVSTJZSA-N	1	1	357.454	2.347	20	30		FEEDMO
CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1	ZINC000604522124	568305143	/nfs/dbraw/zinc/30/51/43/568305143.db2.gz	PPCSUGZUBPJMGB-RBUKOAKNSA-N	1	1	373.497	2.121	20	30		FEEDMO
CCc1nc(C(=O)NC2(C#N)CC[NH+](C)CC2)nn1-c1ccccc1Cl	ZINC000604525563	568309969	/nfs/dbraw/zinc/30/99/69/568309969.db2.gz	QPQPBWTXIKXAAM-UHFFFAOYSA-N	1	1	372.860	2.201	20	30		FEEDMO
CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000569310239	568361687	/nfs/dbraw/zinc/36/16/87/568361687.db2.gz	MIMWCEXGOSBSOA-CYBMUJFWSA-N	1	1	362.499	2.408	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000569310239	568361688	/nfs/dbraw/zinc/36/16/88/568361688.db2.gz	MIMWCEXGOSBSOA-CYBMUJFWSA-N	1	1	362.499	2.408	20	30		FEEDMO
COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000737031841	598982635	/nfs/dbraw/zinc/98/26/35/598982635.db2.gz	HVDSCNPCCFODFK-UHFFFAOYSA-N	1	1	364.409	2.258	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1)[N@H+](C)Cc1ccccc1	ZINC000735551715	599192946	/nfs/dbraw/zinc/19/29/46/599192946.db2.gz	RXQYQTGQWRKJCQ-ZDUSSCGKSA-N	1	1	361.409	2.197	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1)[N@@H+](C)Cc1ccccc1	ZINC000735551715	599192948	/nfs/dbraw/zinc/19/29/48/599192948.db2.gz	RXQYQTGQWRKJCQ-ZDUSSCGKSA-N	1	1	361.409	2.197	20	30		FEEDMO
Cc1cc(N2CCC[C@@H]([NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)C2)nc(C)[nH+]1	ZINC000832890966	601305519	/nfs/dbraw/zinc/30/55/19/601305519.db2.gz	JBLVRXRXNFNLSB-MJGOQNOKSA-N	1	1	365.437	2.349	20	30		FEEDMO
CC(C)[N@@H+](CCOCCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000558868952	674518894	/nfs/dbraw/zinc/51/88/94/674518894.db2.gz	WOYTZLKEWJIKHQ-UHFFFAOYSA-N	1	1	353.850	2.260	20	30		FEEDMO
C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000819701697	606888606	/nfs/dbraw/zinc/88/86/06/606888606.db2.gz	LEDKYZCZHYHFJL-GOSISDBHSA-N	1	1	351.385	2.175	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1	ZINC000559978113	674562470	/nfs/dbraw/zinc/56/24/70/674562470.db2.gz	KKQRFZKNHQQNRZ-GJZGRUSLSA-N	1	1	363.527	2.472	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1	ZINC000559978113	674562471	/nfs/dbraw/zinc/56/24/71/674562471.db2.gz	KKQRFZKNHQQNRZ-GJZGRUSLSA-N	1	1	363.527	2.472	20	30		FEEDMO
C#C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)C(C)(C)C	ZINC000811993510	674645579	/nfs/dbraw/zinc/64/55/79/674645579.db2.gz	UXSXKJMRQFNRJZ-NVXWUHKLSA-N	1	1	362.543	2.384	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1Cl	ZINC000564289258	674990933	/nfs/dbraw/zinc/99/09/33/674990933.db2.gz	YMRQJGXHDHTQGB-YSVLISHTSA-N	1	1	363.845	2.012	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000564357434	675000459	/nfs/dbraw/zinc/00/04/59/675000459.db2.gz	QHOGCKHYZVQSNE-NSHDSACASA-N	1	1	374.304	2.328	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1nc(C#N)c(Cl)s1	ZINC001048710936	675013617	/nfs/dbraw/zinc/01/36/17/675013617.db2.gz	MOFTYGVIGLIHBA-GMXVVIOVSA-N	1	1	367.906	2.093	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)Cn2c[nH+]cc2C)CCN1c1snc(C)c1C#N	ZINC001048896576	675018232	/nfs/dbraw/zinc/01/82/32/675018232.db2.gz	NXLBZJJXSSSFCJ-LSDHHAIUSA-N	1	1	358.471	2.002	20	30		FEEDMO
C#CCOc1ccc(Br)cc1C[NH2+][C@H](C)CS(=O)(=O)CC	ZINC000113350708	670884500	/nfs/dbraw/zinc/88/45/00/670884500.db2.gz	PPOZQTGUNLJEKL-GFCCVEGCSA-N	1	1	374.300	2.374	20	30		FEEDMO
CC[N@H+]1CC[C@H]2OCCN(C(=O)CSCc3ccc(C#N)cc3)[C@H]2C1	ZINC000573991547	671189915	/nfs/dbraw/zinc/18/99/15/671189915.db2.gz	OFVIKYGBGLWRSH-ZWKOTPCHSA-N	1	1	359.495	2.113	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1	ZINC000609438306	675922225	/nfs/dbraw/zinc/92/22/25/675922225.db2.gz	BQLXYUSXWSEKTD-UONOGXRCSA-N	1	1	360.483	2.230	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(S(=O)(=O)CCC(C)(C)C#N)CC1	ZINC000579529046	671742513	/nfs/dbraw/zinc/74/25/13/671742513.db2.gz	PBJQHRDLBYSJOZ-UHFFFAOYSA-N	1	1	373.563	2.326	20	30		FEEDMO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1	ZINC000121418495	671949024	/nfs/dbraw/zinc/94/90/24/671949024.db2.gz	MPZUBHCZBCYRES-LSDHHAIUSA-N	1	1	369.458	2.265	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2cccc(C#N)c2)C1	ZINC000610267899	675963502	/nfs/dbraw/zinc/96/35/02/675963502.db2.gz	PFYBDARIHFMQGK-SFHVURJKSA-N	1	1	355.463	2.453	20	30		FEEDMO
CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCc2nccs2)CC1=O	ZINC000138667002	672144562	/nfs/dbraw/zinc/14/45/62/672144562.db2.gz	DMDFPTLZHBJIDP-UHFFFAOYSA-N	1	1	353.451	2.345	20	30		FEEDMO
N#CC1(CS(=O)(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1	ZINC000584689346	672205945	/nfs/dbraw/zinc/20/59/45/672205945.db2.gz	JDPQNJTVGCDCGV-ZWKOTPCHSA-N	1	1	359.495	2.074	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1	ZINC000170959554	672327665	/nfs/dbraw/zinc/32/76/65/672327665.db2.gz	YSEGUWHMOZIXFW-AWEZNQCLSA-N	1	1	352.479	2.078	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@@H]1C	ZINC000590236621	672567218	/nfs/dbraw/zinc/56/72/18/672567218.db2.gz	AOMRFPUMLHMTCH-LBPRGKRZSA-N	1	1	362.499	2.408	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@@H]1C	ZINC000590236621	672567221	/nfs/dbraw/zinc/56/72/21/672567221.db2.gz	AOMRFPUMLHMTCH-LBPRGKRZSA-N	1	1	362.499	2.408	20	30		FEEDMO
N#CC[C@@]1(O)CC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1	ZINC000592152554	672764841	/nfs/dbraw/zinc/76/48/41/672764841.db2.gz	ZTEMPVLWUSLMSK-OAHLLOKOSA-N	1	1	352.232	2.128	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC[N@H+]1C	ZINC000592796321	672839906	/nfs/dbraw/zinc/83/99/06/672839906.db2.gz	YQTLEEGWUWUEMW-OLMNPRSZSA-N	1	1	360.889	2.389	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1	ZINC000593157207	672884246	/nfs/dbraw/zinc/88/42/46/672884246.db2.gz	HVGPULNFRGRMEF-UKRRQHHQSA-N	1	1	360.483	2.364	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1	ZINC000593157207	672884250	/nfs/dbraw/zinc/88/42/50/672884250.db2.gz	HVGPULNFRGRMEF-UKRRQHHQSA-N	1	1	360.483	2.364	20	30		FEEDMO
CC[N@@H+](CCNC(=O)Cc1ccc(Br)cc1C#N)C1CC1	ZINC000593449322	672925048	/nfs/dbraw/zinc/92/50/48/672925048.db2.gz	ACCAGCHLPIZTPB-UHFFFAOYSA-N	1	1	350.260	2.464	20	30		FEEDMO
CCN1CCN([C@H](C)CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)CC1	ZINC000303893035	673018585	/nfs/dbraw/zinc/01/85/85/673018585.db2.gz	OAQGFSDFKJTKKY-CYBMUJFWSA-N	1	1	353.898	2.101	20	30		FEEDMO
Cc1nc(CN2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cs1	ZINC000328657477	673064389	/nfs/dbraw/zinc/06/43/89/673064389.db2.gz	PBKXYNSXSSUACF-SJORKVTESA-N	1	1	363.531	2.110	20	30		FEEDMO
C[C@@H]1CN(C(=O)CCNC(=O)C2CCCCC2)C[C@H]1[NH+]1CCOCC1	ZINC000329739595	673082442	/nfs/dbraw/zinc/08/24/42/673082442.db2.gz	NMQKDUWAWWKLQL-NVXWUHKLSA-N	1	1	351.491	2.092	20	30		FEEDMO
CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1	ZINC000330246522	673087910	/nfs/dbraw/zinc/08/79/10/673087910.db2.gz	YGWPGZHITKPLFJ-INIZCTEOSA-N	1	1	357.520	2.020	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000594788103	673142372	/nfs/dbraw/zinc/14/23/72/673142372.db2.gz	DVYSESRJANRDNO-CYBMUJFWSA-N	1	1	353.463	2.237	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(OC(F)F)c(OCC)c1	ZINC000730277583	673268472	/nfs/dbraw/zinc/26/84/72/673268472.db2.gz	BWWNFFGTYVLQES-AWEZNQCLSA-N	1	1	352.381	2.401	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(OC(F)F)c(OCC)c1	ZINC000730277583	673268476	/nfs/dbraw/zinc/26/84/76/673268476.db2.gz	BWWNFFGTYVLQES-AWEZNQCLSA-N	1	1	352.381	2.401	20	30		FEEDMO
C=C[C@H](CO)[NH2+]CC(=O)Nc1scc(-c2ccco2)c1C(=O)OCC	ZINC000595863378	673331655	/nfs/dbraw/zinc/33/16/55/673331655.db2.gz	DVUWDFWPOZMPBO-LLVKDONJSA-N	1	1	364.423	2.260	20	30		FEEDMO
C=CCCSCCNC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	ZINC000596717389	673407004	/nfs/dbraw/zinc/40/70/04/673407004.db2.gz	HWDYYTUYBVYQNA-HZPDHXFCSA-N	1	1	353.532	2.238	20	30		FEEDMO
N#CCCNC(=O)C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1	ZINC000733797437	673438290	/nfs/dbraw/zinc/43/82/90/673438290.db2.gz	ZBDNTWWLPKGASR-UHFFFAOYSA-N	1	1	366.824	2.159	20	30		FEEDMO
COC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000540475831	673541587	/nfs/dbraw/zinc/54/15/87/673541587.db2.gz	NASMYHPQIISELP-SFHVURJKSA-N	1	1	362.426	2.448	20	30		FEEDMO
CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1	ZINC000598596479	673587549	/nfs/dbraw/zinc/58/75/49/673587549.db2.gz	SCMJUTNAJRSKNU-UONOGXRCSA-N	1	1	363.424	2.410	20	30		FEEDMO
C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(F)c2C#N)C1	ZINC000739672663	673634303	/nfs/dbraw/zinc/63/43/03/673634303.db2.gz	ZBDWGHACZSPKJO-AWEZNQCLSA-N	1	1	359.426	2.379	20	30		FEEDMO
Cc1nc2sccn2c1C[N@H+](C)C[C@@H](O)COc1ccccc1C#N	ZINC000599340598	673661397	/nfs/dbraw/zinc/66/13/97/673661397.db2.gz	GNKAJUIKJAMAAU-OAHLLOKOSA-N	1	1	356.451	2.448	20	30		FEEDMO
Cc1nc2sccn2c1C[N@@H+](C)C[C@@H](O)COc1ccccc1C#N	ZINC000599340598	673661400	/nfs/dbraw/zinc/66/14/00/673661400.db2.gz	GNKAJUIKJAMAAU-OAHLLOKOSA-N	1	1	356.451	2.448	20	30		FEEDMO
COCC[N@@H+](Cc1scnc1C)C[C@@H](O)COc1ccccc1C#N	ZINC000599397204	673669439	/nfs/dbraw/zinc/66/94/39/673669439.db2.gz	WMUGOPUBPTVMKU-MRXNPFEDSA-N	1	1	361.467	2.212	20	30		FEEDMO
COCC[N@H+](Cc1scnc1C)C[C@@H](O)COc1ccccc1C#N	ZINC000599397204	673669441	/nfs/dbraw/zinc/66/94/41/673669441.db2.gz	WMUGOPUBPTVMKU-MRXNPFEDSA-N	1	1	361.467	2.212	20	30		FEEDMO
C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H](CO)c1ccc(Cl)cc1	ZINC000599431660	673675452	/nfs/dbraw/zinc/67/54/52/673675452.db2.gz	NBNXOGKCLDAIHO-SJORKVTESA-N	1	1	352.862	2.377	20	30		FEEDMO
CC[N@H+]1CCC(=NNS(=O)(=O)c2ccc(Br)cc2)[C@H](C)C1	ZINC000741451728	673687610	/nfs/dbraw/zinc/68/76/10/673687610.db2.gz	NPRQVEOEYQGQJX-LLVKDONJSA-N	1	1	374.304	2.445	20	30		FEEDMO
CC1(C)CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[N@@H+]1CCO	ZINC000614895702	676195644	/nfs/dbraw/zinc/19/56/44/676195644.db2.gz	YINLCZCKXKEZOF-UHFFFAOYSA-N	1	1	356.253	2.394	20	30		FEEDMO
CC1(C)CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[N@H+]1CCO	ZINC000614895702	676195645	/nfs/dbraw/zinc/19/56/45/676195645.db2.gz	YINLCZCKXKEZOF-UHFFFAOYSA-N	1	1	356.253	2.394	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@@H+](CCN1CCOCC1)[C@H]1CCSC1	ZINC000602883272	673912885	/nfs/dbraw/zinc/91/28/85/673912885.db2.gz	QHWAUPPWQCXRMY-SFHVURJKSA-N	1	1	361.511	2.207	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl	ZINC000818595691	675227250	/nfs/dbraw/zinc/22/72/50/675227250.db2.gz	KBUNUGQUABJMCA-GFCCVEGCSA-N	1	1	370.280	2.183	20	30		FEEDMO
CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C)C1	ZINC000819313668	675280351	/nfs/dbraw/zinc/28/03/51/675280351.db2.gz	JKNLTSCNTCPMME-GJZGRUSLSA-N	1	1	352.479	2.126	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Cl)cc1F	ZINC000820751203	675385192	/nfs/dbraw/zinc/38/51/92/675385192.db2.gz	UVKGQNNGCAOWMO-YOEHRIQHSA-N	1	1	367.852	2.299	20	30		FEEDMO
C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000825838671	675670795	/nfs/dbraw/zinc/67/07/95/675670795.db2.gz	FDYIFSJXAQKYCN-CJNGLKHVSA-N	1	1	354.372	2.434	20	30		FEEDMO
N#CCc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000619492384	676380994	/nfs/dbraw/zinc/38/09/94/676380994.db2.gz	MQTCMELUYWUDKS-LPHOPBHVSA-N	1	1	359.495	2.390	20	30		FEEDMO
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619827307	676396654	/nfs/dbraw/zinc/39/66/54/676396654.db2.gz	ZXMUAZOXFCUUNZ-UHFFFAOYSA-N	1	1	364.877	2.464	20	30		FEEDMO
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619827307	676396656	/nfs/dbraw/zinc/39/66/56/676396656.db2.gz	ZXMUAZOXFCUUNZ-UHFFFAOYSA-N	1	1	364.877	2.464	20	30		FEEDMO
COCC#CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000677480577	679682426	/nfs/dbraw/zinc/68/24/26/679682426.db2.gz	ZYJWIWWNLMNJRN-CYBMUJFWSA-N	1	1	366.259	2.144	20	30		FEEDMO
O=C(Nc1cccc(C#Cc2cccs2)c1)[C@@H]1C[N@H+]2CCN1CCC2	ZINC000677854063	679701141	/nfs/dbraw/zinc/70/11/41/679701141.db2.gz	SKBDPNRGGCZJAL-IBGZPJMESA-N	1	1	351.475	2.476	20	30		FEEDMO
O=C(NC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1)N1CCOCC1	ZINC000660858592	678397757	/nfs/dbraw/zinc/39/77/57/678397757.db2.gz	ALCODRXJQQIPGV-UHFFFAOYSA-N	1	1	361.873	2.198	20	30		FEEDMO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CN(CC(C)C)CCO1	ZINC000661118437	678437315	/nfs/dbraw/zinc/43/73/15/678437315.db2.gz	DVNIZHUBITUDIP-CEXWTWQISA-N	1	1	351.535	2.184	20	30		FEEDMO
C=CC[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1	ZINC000661379522	678472570	/nfs/dbraw/zinc/47/25/70/678472570.db2.gz	CYZURMQJIWCQPQ-CYBMUJFWSA-N	1	1	351.397	2.308	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1=O	ZINC000839990674	680791541	/nfs/dbraw/zinc/79/15/41/680791541.db2.gz	JLCVJAFKFXLKNN-HNNXBMFYSA-N	1	1	352.479	2.056	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1=O	ZINC000839990674	680791542	/nfs/dbraw/zinc/79/15/42/680791542.db2.gz	JLCVJAFKFXLKNN-HNNXBMFYSA-N	1	1	352.479	2.056	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)C1=O	ZINC000840015295	680793049	/nfs/dbraw/zinc/79/30/49/680793049.db2.gz	MUQNYOZKQPUDDB-HNNXBMFYSA-N	1	1	352.479	2.199	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)C1=O	ZINC000840015295	680793050	/nfs/dbraw/zinc/79/30/50/680793050.db2.gz	MUQNYOZKQPUDDB-HNNXBMFYSA-N	1	1	352.479	2.199	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)C1=O	ZINC000840029912	680794043	/nfs/dbraw/zinc/79/40/43/680794043.db2.gz	HLRQQCHWWKWFPC-CABCVRRESA-N	1	1	352.479	2.103	20	30		FEEDMO
C#CC[N@@H+](CC(=O)Nc1nc(CC(=O)OCC)cs1)C1CCCCC1	ZINC000764953538	680825304	/nfs/dbraw/zinc/82/53/04/680825304.db2.gz	JSUCLYXNBFHYAR-UHFFFAOYSA-N	1	1	363.483	2.455	20	30		FEEDMO
C#CC[N@H+](CC(=O)Nc1nc(CC(=O)OCC)cs1)C1CCCCC1	ZINC000764953538	680825306	/nfs/dbraw/zinc/82/53/06/680825306.db2.gz	JSUCLYXNBFHYAR-UHFFFAOYSA-N	1	1	363.483	2.455	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C	ZINC000747842498	679906668	/nfs/dbraw/zinc/90/66/68/679906668.db2.gz	GCPWXEPMTRJRFV-CQSZACIVSA-N	1	1	354.495	2.230	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC2CCC2)CC1(C)C	ZINC000974586021	679960762	/nfs/dbraw/zinc/96/07/62/679960762.db2.gz	CHJWOUWWXRIIME-FGTMMUONSA-N	1	1	350.503	2.363	20	30		FEEDMO
C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@H]12	ZINC000991391846	680079957	/nfs/dbraw/zinc/07/99/57/680079957.db2.gz	WMVHMVVKTRFAGV-FQLMCAECSA-N	1	1	362.392	2.022	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCOC2CCC2)CC1(C)C	ZINC000977326086	680160504	/nfs/dbraw/zinc/16/05/04/680160504.db2.gz	KVLVQKJICLKZCA-KSZLIROESA-N	1	1	350.503	2.363	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H](O)c1ccccc1Br	ZINC000832671974	680163633	/nfs/dbraw/zinc/16/36/33/680163633.db2.gz	HBBMOOIMQIQOKH-SWLSCSKDSA-N	1	1	368.275	2.175	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@H](O)c1ccccc1Br	ZINC000832671974	680163634	/nfs/dbraw/zinc/16/36/34/680163634.db2.gz	HBBMOOIMQIQOKH-SWLSCSKDSA-N	1	1	368.275	2.175	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CCOCC1	ZINC001024661482	680298935	/nfs/dbraw/zinc/29/89/35/680298935.db2.gz	GIKDMZNJJLIEIY-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
Oc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc(Br)c1O	ZINC000753936635	680325256	/nfs/dbraw/zinc/32/52/56/680325256.db2.gz	SWBDKBNDWKIDAF-PHIMTYICSA-N	1	1	353.220	2.054	20	30		FEEDMO
C=C(Br)C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1	ZINC001026508430	680345195	/nfs/dbraw/zinc/34/51/95/680345195.db2.gz	VSRBLVJGONCOOI-NWINJMCUSA-N	1	1	367.291	2.439	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2cnns2)CC1	ZINC000997098853	680347113	/nfs/dbraw/zinc/34/71/13/680347113.db2.gz	XKQURXOZGDZOQR-XYPHTWIQSA-N	1	1	364.515	2.236	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cnsn2)CC1	ZINC001029156872	680387627	/nfs/dbraw/zinc/38/76/27/680387627.db2.gz	QMTSKSVDNRKYKT-COXVUDFISA-N	1	1	364.515	2.236	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccns1	ZINC001029511491	680389974	/nfs/dbraw/zinc/38/99/74/680389974.db2.gz	OARGXCGMVNCFDX-MVJTYMMSSA-N	1	1	361.511	2.342	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccns1	ZINC001029511491	680389978	/nfs/dbraw/zinc/38/99/78/680389978.db2.gz	OARGXCGMVNCFDX-MVJTYMMSSA-N	1	1	361.511	2.342	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cccc(S(N)(=O)=O)c2C#N)C1	ZINC000754975362	680390962	/nfs/dbraw/zinc/39/09/62/680390962.db2.gz	DYNPCICIUVKMPZ-ZNMIVQPWSA-N	1	1	362.499	2.047	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2snnc2C)CC1	ZINC001029998623	680396458	/nfs/dbraw/zinc/39/64/58/680396458.db2.gz	ZOIFMCZDQNDLBM-CVEARBPZSA-N	1	1	364.515	2.108	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCOCC2)C1	ZINC001033497988	680424707	/nfs/dbraw/zinc/42/47/07/680424707.db2.gz	QOJPLPWYZSJXMK-FHWLQOOXSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C3CC3)s2)C1	ZINC001000240959	680424763	/nfs/dbraw/zinc/42/47/63/680424763.db2.gz	KZONPFBYKOOJMT-KFWWJZLASA-N	1	1	362.499	2.087	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2	ZINC001000470750	680433344	/nfs/dbraw/zinc/43/33/44/680433344.db2.gz	XPHWSLMURUTJSN-UKMLZYKCSA-N	1	1	367.921	2.498	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCC2CCCC2)CCO1	ZINC001035516405	680449295	/nfs/dbraw/zinc/44/92/95/680449295.db2.gz	REYQVDXJVPUALK-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCC2CCCC2)CCO1	ZINC001035516405	680449296	/nfs/dbraw/zinc/44/92/96/680449296.db2.gz	REYQVDXJVPUALK-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCc1ccccc1OC(F)(F)F	ZINC000836359059	680457281	/nfs/dbraw/zinc/45/72/81/680457281.db2.gz	RPBXJQSXPGVWPY-UHFFFAOYSA-N	1	1	357.376	2.382	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1	ZINC001039135156	680462058	/nfs/dbraw/zinc/46/20/58/680462058.db2.gz	DWEDQNVYRRLPNT-BPQIPLTHSA-N	1	1	369.937	2.019	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NCCc1ccc(OC)c(OC)c1Cl	ZINC000836475256	680474514	/nfs/dbraw/zinc/47/45/14/680474514.db2.gz	YZTBZZZKRCCAEM-UHFFFAOYSA-N	1	1	367.877	2.154	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCc3ccns3)C2)C1	ZINC001041695654	680508212	/nfs/dbraw/zinc/50/82/12/680508212.db2.gz	DLDGNWIXWIAOMM-AOIWGVFYSA-N	1	1	361.511	2.201	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3OCC[C@H]3C)C2)C1	ZINC001041691208	680508327	/nfs/dbraw/zinc/50/83/27/680508327.db2.gz	XTTMPAVGUOBHHE-INWMFGNUSA-N	1	1	357.292	2.244	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3OCC[C@H]3C)C2)C1	ZINC001041691208	680508330	/nfs/dbraw/zinc/50/83/30/680508330.db2.gz	XTTMPAVGUOBHHE-INWMFGNUSA-N	1	1	357.292	2.244	20	30		FEEDMO
C=C(Br)CN1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1	ZINC001002858796	680511781	/nfs/dbraw/zinc/51/17/81/680511781.db2.gz	HBCJCEWDTDBTHM-LSDHHAIUSA-N	1	1	358.324	2.206	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(F)c2C#N)[C@@H]1c1ccccc1	ZINC000758442327	680580419	/nfs/dbraw/zinc/58/04/19/680580419.db2.gz	RKCSUHADGOEIJB-WMZOPIPTSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(F)c2C#N)[C@@H]1c1ccccc1	ZINC000758442327	680580421	/nfs/dbraw/zinc/58/04/21/680580421.db2.gz	RKCSUHADGOEIJB-WMZOPIPTSA-N	1	1	359.426	2.421	20	30		FEEDMO
C#CCSCCNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000758842117	680610799	/nfs/dbraw/zinc/61/07/99/680610799.db2.gz	XGRHHOWDLZNJTG-KRWDZBQOSA-N	1	1	363.552	2.270	20	30		FEEDMO
C#CCSCCNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000758842117	680610800	/nfs/dbraw/zinc/61/08/00/680610800.db2.gz	XGRHHOWDLZNJTG-KRWDZBQOSA-N	1	1	363.552	2.270	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C)s1	ZINC001045233210	680625445	/nfs/dbraw/zinc/62/54/45/680625445.db2.gz	MGZBDMHKAGFUDA-ZOBUZTSGSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1	ZINC001047468076	680664375	/nfs/dbraw/zinc/66/43/75/680664375.db2.gz	SPSYQCOWLCSLDR-MVJTYMMSSA-N	1	1	350.409	2.148	20	30		FEEDMO
C#CC[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1=O	ZINC000842245628	680934605	/nfs/dbraw/zinc/93/46/05/680934605.db2.gz	TYKNUKBYTKEALI-RCBQFDQVSA-N	1	1	363.820	2.416	20	30		FEEDMO
CCN(CCO)[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1	ZINC000842535108	680952209	/nfs/dbraw/zinc/95/22/09/680952209.db2.gz	FAIDFDHFOYNGTG-UHFFFAOYSA-N	1	1	360.483	2.295	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC1CCCCC1	ZINC001050925433	681058414	/nfs/dbraw/zinc/05/84/14/681058414.db2.gz	QRIUPSZHYYTUJT-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC1CCCCC1	ZINC001050925433	681058417	/nfs/dbraw/zinc/05/84/17/681058417.db2.gz	QRIUPSZHYYTUJT-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)NC(C)(C)CCN1CC[NH+](C)CC1	ZINC000771664895	681065411	/nfs/dbraw/zinc/06/54/11/681065411.db2.gz	YZLLXYVBNGUGMU-KRWDZBQOSA-N	1	1	354.539	2.490	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C	ZINC001052393811	681076746	/nfs/dbraw/zinc/07/67/46/681076746.db2.gz	RDWCMBQQDUEVHG-IIDMSEBBSA-N	1	1	360.527	2.431	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(Cc3ccc(C#N)s3)CC2)CC[N@H+]1C	ZINC001052393811	681076749	/nfs/dbraw/zinc/07/67/49/681076749.db2.gz	RDWCMBQQDUEVHG-IIDMSEBBSA-N	1	1	360.527	2.431	20	30		FEEDMO
Cc1nsc(NCC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)c1C#N	ZINC001053320014	681095296	/nfs/dbraw/zinc/09/52/96/681095296.db2.gz	FHTNZZAZQRLMQY-XPKDYRNWSA-N	1	1	361.515	2.314	20	30		FEEDMO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)CC[N@@H+](C)CCO	ZINC000912606611	685405892	/nfs/dbraw/zinc/40/58/92/685405892.db2.gz	TXPMQQQYFDLCRR-UHFFFAOYSA-N	1	1	360.376	2.266	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccccc1S(N)(=O)=O	ZINC000773122713	681126592	/nfs/dbraw/zinc/12/65/92/681126592.db2.gz	LWJDXASPFMDUOJ-CQSZACIVSA-N	1	1	358.467	2.254	20	30		FEEDMO
COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000773966252	681162522	/nfs/dbraw/zinc/16/25/22/681162522.db2.gz	WDWJGNIROBDSEM-PBHICJAKSA-N	1	1	368.861	2.088	20	30		FEEDMO
COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000773966252	681162523	/nfs/dbraw/zinc/16/25/23/681162523.db2.gz	WDWJGNIROBDSEM-PBHICJAKSA-N	1	1	368.861	2.088	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001058257904	681169784	/nfs/dbraw/zinc/16/97/84/681169784.db2.gz	IUQSZLJPQUFLEM-GRYCIOLGSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC001059705434	681182422	/nfs/dbraw/zinc/18/24/22/681182422.db2.gz	UCMLMGZBWFHUMG-VNQPRFMTSA-N	1	1	369.937	2.460	20	30		FEEDMO
CCS(=O)(=O)c1c(Cl)cccc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1	ZINC000774393269	681182708	/nfs/dbraw/zinc/18/27/08/681182708.db2.gz	JILDPUCXBKVOTQ-OKILXGFUSA-N	1	1	368.890	2.328	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CCNC(=O)Cc1ccc(Br)cc1C#N	ZINC000846639607	681270776	/nfs/dbraw/zinc/27/07/76/681270776.db2.gz	RPZMGRYDNNQNCA-GFCCVEGCSA-N	1	1	350.260	2.464	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](OCCOC)C[C@H](CO)C1	ZINC000775207036	681285085	/nfs/dbraw/zinc/28/50/85/681285085.db2.gz	ZVJXKYHJVBBXPV-JKSUJKDBSA-N	1	1	367.873	2.198	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](OCCOC)C[C@H](CO)C1	ZINC000775207036	681285087	/nfs/dbraw/zinc/28/50/87/681285087.db2.gz	ZVJXKYHJVBBXPV-JKSUJKDBSA-N	1	1	367.873	2.198	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](C3CCOCC3)C2)cc1	ZINC000933079531	681359662	/nfs/dbraw/zinc/35/96/62/681359662.db2.gz	MCPNYKJZECDYER-SFHVURJKSA-N	1	1	362.495	2.471	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](C3CCOCC3)C2)cc1	ZINC000933079531	681359667	/nfs/dbraw/zinc/35/96/67/681359667.db2.gz	MCPNYKJZECDYER-SFHVURJKSA-N	1	1	362.495	2.471	20	30		FEEDMO
C[C@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@@H+]1C	ZINC000847525244	681390447	/nfs/dbraw/zinc/39/04/47/681390447.db2.gz	JNDPNTMBSMBLHN-LSDHHAIUSA-N	1	1	352.479	2.126	20	30		FEEDMO
C[C@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@H+]1C	ZINC000847525244	681390451	/nfs/dbraw/zinc/39/04/51/681390451.db2.gz	JNDPNTMBSMBLHN-LSDHHAIUSA-N	1	1	352.479	2.126	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCCC2=NNC2CCS(=O)(=O)CC2)C1	ZINC000776793082	681436548	/nfs/dbraw/zinc/43/65/48/681436548.db2.gz	KUUJNKCYKABGFN-DAYGRLMNSA-N	1	1	355.548	2.430	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCCCC2=NNC2CCS(=O)(=O)CC2)C1	ZINC000776793082	681436554	/nfs/dbraw/zinc/43/65/54/681436554.db2.gz	KUUJNKCYKABGFN-DAYGRLMNSA-N	1	1	355.548	2.430	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+]([C@H](C)CCC#N)CC12CN(C(=O)OC(C)(C)C)C2	ZINC000934052947	681501718	/nfs/dbraw/zinc/50/17/18/681501718.db2.gz	VGPBCYFWKJGQMD-KGLIPLIRSA-N	1	1	351.447	2.021	20	30		FEEDMO
CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2ccc(C#N)cc2F)CC1	ZINC000934758241	681624362	/nfs/dbraw/zinc/62/43/62/681624362.db2.gz	NSHHPLYZAXDGBT-DEOSSOPVSA-N	1	1	352.479	2.484	20	30		FEEDMO
Cc1cc(C(=O)OCC[NH+]2CCSCC2)nn1-c1cccc(C#N)c1	ZINC000780425682	681826713	/nfs/dbraw/zinc/82/67/13/681826713.db2.gz	WKJSCPSUOAJDRG-UHFFFAOYSA-N	1	1	356.451	2.258	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[NH2+]CCS(=O)(=O)CC(F)(F)F	ZINC000850364717	681892691	/nfs/dbraw/zinc/89/26/91/681892691.db2.gz	QBGWWOJTQRCJSE-UHFFFAOYSA-N	1	1	369.792	2.419	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)Cc2csc(C#N)c2)[C@H]1c1ccccc1	ZINC000914301795	685503080	/nfs/dbraw/zinc/50/30/80/685503080.db2.gz	JBUYLVNFUSECLY-IAGOWNOFSA-N	1	1	361.492	2.485	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)Cc2csc(C#N)c2)[C@@H]1c1ccccc1	ZINC000914301796	685503119	/nfs/dbraw/zinc/50/31/19/685503119.db2.gz	JBUYLVNFUSECLY-IRXDYDNUSA-N	1	1	361.492	2.485	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3sc(C)nc3C)C[C@H]21	ZINC000959949797	682013153	/nfs/dbraw/zinc/01/31/53/682013153.db2.gz	YNNVZGBKJPDOPW-LFRCEIEQSA-N	1	1	361.511	2.288	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cc(OC)ns1	ZINC000960883528	682067796	/nfs/dbraw/zinc/06/77/96/682067796.db2.gz	MIZZOASFFXJSHP-IMJJTQAJSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)Cc1cc(OC)ns1	ZINC000960883528	682067803	/nfs/dbraw/zinc/06/78/03/682067803.db2.gz	MIZZOASFFXJSHP-IMJJTQAJSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC000940771007	682081687	/nfs/dbraw/zinc/08/16/87/682081687.db2.gz	BLTBLQYTWDEVCK-QLFBSQMISA-N	1	1	355.910	2.213	20	30		FEEDMO
C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC000961375044	682091280	/nfs/dbraw/zinc/09/12/80/682091280.db2.gz	OIJAZLYUSIRRAK-UHOSZYNNSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CCC([NH2+]Cc2csnn2)CC1	ZINC000963338504	682138443	/nfs/dbraw/zinc/13/84/43/682138443.db2.gz	XXNUDQZAYFTDBH-BNICSPFPSA-N	1	1	364.515	2.379	20	30		FEEDMO
CC(=NNC(=S)NC(C)(C)C)c1ccc(O)c(C[NH+]2CCOCC2)c1	ZINC000916344764	685523759	/nfs/dbraw/zinc/52/37/59/685523759.db2.gz	WODIQNNIDMMMBM-UHFFFAOYSA-N	1	1	364.515	2.211	20	30		FEEDMO
C#C[C@@](C)(CC)[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)CCC	ZINC000852103819	682220033	/nfs/dbraw/zinc/22/00/33/682220033.db2.gz	SGQDBOSMKSGBMC-KRWDZBQOSA-N	1	1	371.524	2.036	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308585	682257833	/nfs/dbraw/zinc/25/78/33/682257833.db2.gz	JFMHVXHURJDZRF-SFHVURJKSA-N	1	1	354.495	2.276	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308585	682257834	/nfs/dbraw/zinc/25/78/34/682257834.db2.gz	JFMHVXHURJDZRF-SFHVURJKSA-N	1	1	354.495	2.276	20	30		FEEDMO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1	ZINC000853347165	682407381	/nfs/dbraw/zinc/40/73/81/682407381.db2.gz	FWZZRKASDOYUSR-HZPDHXFCSA-N	1	1	351.491	2.093	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cnn(C(C)(C)C)c1Br	ZINC000854664567	682577039	/nfs/dbraw/zinc/57/70/39/682577039.db2.gz	WYBUVPUTZYJYCQ-UHFFFAOYSA-N	1	1	355.280	2.086	20	30		FEEDMO
Fc1ccc(/C=C/C=NNC(=S)NCCC[NH+]2CCOCC2)cc1F	ZINC000794871011	683000824	/nfs/dbraw/zinc/00/08/24/683000824.db2.gz	TXUPOJFFGHBWNW-SFEFIMOYSA-N	1	1	368.453	2.150	20	30		FEEDMO
CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C2	ZINC000926168449	683087161	/nfs/dbraw/zinc/08/71/61/683087161.db2.gz	YGHLAWHXBCAQEN-YWTNHNAXSA-N	1	1	361.873	2.421	20	30		FEEDMO
CC1(C)CC(=NNC(=S)NCCC[NH+]2CCOCC2)c2ccccc21	ZINC000920363282	683337190	/nfs/dbraw/zinc/33/71/90/683337190.db2.gz	XJAODHMQWFIFDS-UHFFFAOYSA-N	1	1	360.527	2.258	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)Cc2cc(Br)cc(OC)c2O)C1=O	ZINC000798956989	683408251	/nfs/dbraw/zinc/40/82/51/683408251.db2.gz	TUUCFUUSKUEZDB-ZDUSSCGKSA-N	1	1	369.259	2.382	20	30		FEEDMO
Clc1cc(C=NNCCC[NH+]2CCOCC2)cc2c1OCCCO2	ZINC000799489300	683460202	/nfs/dbraw/zinc/46/02/02/683460202.db2.gz	RBFSJVDHOQTROF-UHFFFAOYSA-N	1	1	353.850	2.147	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@H+](C)CC(=O)NCc2cccs2)cc1	ZINC000929632173	683621037	/nfs/dbraw/zinc/62/10/37/683621037.db2.gz	WDDHYCPKWLKXBJ-UHFFFAOYSA-N	1	1	355.463	2.306	20	30		FEEDMO
CCN(CC)C(=O)C[NH+]1CCC(Nc2snc(Cl)c2C#N)CC1	ZINC000865898230	684042533	/nfs/dbraw/zinc/04/25/33/684042533.db2.gz	NUYGSRPOTXQJSP-UHFFFAOYSA-N	1	1	355.895	2.413	20	30		FEEDMO
N#Cc1c(NC[C@@H]2CC[N@H+]2C2CCCCCC2)cccc1S(N)(=O)=O	ZINC000866194362	684081985	/nfs/dbraw/zinc/08/19/85/684081985.db2.gz	VBJUJSCIUMVKDU-HNNXBMFYSA-N	1	1	362.499	2.415	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3cncs3)CC2)cc1	ZINC000931357117	684267099	/nfs/dbraw/zinc/26/70/99/684267099.db2.gz	QQKDRBXLLMXIJV-UHFFFAOYSA-N	1	1	354.479	2.271	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)C1=O	ZINC000931958293	684375537	/nfs/dbraw/zinc/37/55/37/684375537.db2.gz	XJHICAUYHBHJCJ-BZUAXINKSA-N	1	1	351.491	2.256	20	30		FEEDMO
CSc1ccc(CNC(=O)CC[NH+]2CCN(C(C)C)CC2)cc1C#N	ZINC000923979331	684381331	/nfs/dbraw/zinc/38/13/31/684381331.db2.gz	QLOWHQYEFOFSFW-UHFFFAOYSA-N	1	1	360.527	2.312	20	30		FEEDMO
N#CCc1ccsc1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000869241408	684596429	/nfs/dbraw/zinc/59/64/29/684596429.db2.gz	FNGZIGBSJQNXNV-KRWDZBQOSA-N	1	1	355.463	2.311	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnn(C(C)C)c1Br	ZINC000870194737	684691752	/nfs/dbraw/zinc/69/17/52/684691752.db2.gz	RNNXWENSCUWJOC-LBPRGKRZSA-N	1	1	354.248	2.481	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnn(C(C)C)c1Br	ZINC000870194737	684691755	/nfs/dbraw/zinc/69/17/55/684691755.db2.gz	RNNXWENSCUWJOC-LBPRGKRZSA-N	1	1	354.248	2.481	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1	ZINC000876711087	686249801	/nfs/dbraw/zinc/24/98/01/686249801.db2.gz	TUMIEXHTUPZCMD-IAGOWNOFSA-N	1	1	351.878	2.418	20	30		FEEDMO
CO[C@@H]1COCC[C@H]1[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000880429614	687047318	/nfs/dbraw/zinc/04/73/18/687047318.db2.gz	IAQRVGNUNLDQBC-HUUCEWRRSA-N	1	1	363.483	2.173	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cc(C#N)c(F)cc2F)CCCO1	ZINC000880712513	687077415	/nfs/dbraw/zinc/07/74/15/687077415.db2.gz	PONMFYLHOPPAIS-GFCCVEGCSA-N	1	1	352.385	2.459	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)[C@H](N)c2ccc(Br)cc2)CC1	ZINC000884214312	687820771	/nfs/dbraw/zinc/82/07/71/687820771.db2.gz	YVQBSFXFBACBLK-OAHLLOKOSA-N	1	1	352.276	2.216	20	30		FEEDMO
CSCc1n[nH]c(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000886326376	688232122	/nfs/dbraw/zinc/23/21/22/688232122.db2.gz	IOTJRRWKYDYWMK-UHFFFAOYSA-N	1	1	356.499	2.294	20	30		FEEDMO
CSCc1nnc(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH]1	ZINC000886326376	688232124	/nfs/dbraw/zinc/23/21/24/688232124.db2.gz	IOTJRRWKYDYWMK-UHFFFAOYSA-N	1	1	356.499	2.294	20	30		FEEDMO
C#CC[N@H+](CC[C@H]1CCOC1=O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427361	688254122	/nfs/dbraw/zinc/25/41/22/688254122.db2.gz	IBQKTYPDQXPPRB-HNNXBMFYSA-N	1	1	350.459	2.274	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNC(=O)Nc2nc(Cl)c(C#N)s2)CCCO1	ZINC000888419333	688608538	/nfs/dbraw/zinc/60/85/38/688608538.db2.gz	OVXGAIJQXIUGOL-SNVBAGLBSA-N	1	1	357.867	2.291	20	30		FEEDMO
CN1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[N@H+](C)CC1	ZINC000888988812	688716169	/nfs/dbraw/zinc/71/61/69/688716169.db2.gz	UPFCGZPEPPLYJL-UHFFFAOYSA-N	1	1	355.269	2.184	20	30		FEEDMO
CN1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[N@@H+](C)CC1	ZINC000888988812	688716170	/nfs/dbraw/zinc/71/61/70/688716170.db2.gz	UPFCGZPEPPLYJL-UHFFFAOYSA-N	1	1	355.269	2.184	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)N(C)Cc2cc(C#N)cs2)CC1	ZINC000891902939	689124697	/nfs/dbraw/zinc/12/46/97/689124697.db2.gz	AVZYSZNPYLNYKY-UHFFFAOYSA-N	1	1	363.531	2.179	20	30		FEEDMO
C[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@](C)(C#N)C2)[C@H]1c1ccc(Cl)cc1	ZINC000893896123	689424622	/nfs/dbraw/zinc/42/46/22/689424622.db2.gz	PTMBEKPOEJDBEH-JZXOWHBKSA-N	1	1	362.861	2.409	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N2CCO[C@@](C)(C#N)C2)[C@H]1c1ccc(Cl)cc1	ZINC000893896123	689424627	/nfs/dbraw/zinc/42/46/27/689424627.db2.gz	PTMBEKPOEJDBEH-JZXOWHBKSA-N	1	1	362.861	2.409	20	30		FEEDMO
C#CCSCC(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2	ZINC000893921128	689429637	/nfs/dbraw/zinc/42/96/37/689429637.db2.gz	ICERLCPNGMWAQF-FXAWDEMLSA-N	1	1	358.507	2.245	20	30		FEEDMO
C#CCSCC(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2	ZINC000893921128	689429639	/nfs/dbraw/zinc/42/96/39/689429639.db2.gz	ICERLCPNGMWAQF-FXAWDEMLSA-N	1	1	358.507	2.245	20	30		FEEDMO
N#C[C@@]12C[N@H+](Cn3ccc(=S)c4ccccc43)C[C@H]1CS(=O)(=O)C2	ZINC000902532452	690775082	/nfs/dbraw/zinc/77/50/82/690775082.db2.gz	HNQSWDSLDIXYQW-GUYCJALGSA-N	1	1	359.476	2.198	20	30		FEEDMO
N#Cc1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)c1	ZINC000903454339	690896269	/nfs/dbraw/zinc/89/62/69/690896269.db2.gz	YMMUHEVYZMWLIY-UHFFFAOYSA-N	1	1	356.861	2.286	20	30		FEEDMO
C#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)cc1	ZINC000906948057	691351792	/nfs/dbraw/zinc/35/17/92/691351792.db2.gz	RBVQHSKVZONUGU-LPHOPBHVSA-N	1	1	364.511	2.083	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906951254	691352415	/nfs/dbraw/zinc/35/24/15/691352415.db2.gz	ROINTWIILYBZEK-RDJZCZTQSA-N	1	1	362.499	2.228	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(F)(F)c1ncccc1Br	ZINC000908437508	691678892	/nfs/dbraw/zinc/67/88/92/691678892.db2.gz	PKOGMZUPMJEJLE-UHFFFAOYSA-N	1	1	360.202	2.007	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@H]21	ZINC001164667755	719480450	/nfs/dbraw/zinc/48/04/50/719480450.db2.gz	MPYMHGMVZPTJHE-ZBFHGGJFSA-N	1	1	371.828	2.313	20	30		FEEDMO
N#Cc1cc2c(nc1N1CC[C@H]3[C@H]1CC[N@H+]3Cc1cccnc1)CCOC2	ZINC001164735889	720464031	/nfs/dbraw/zinc/46/40/31/720464031.db2.gz	ZAAMEJDARPQYKF-VQTJNVASSA-N	1	1	361.449	2.274	20	30		FEEDMO
N#Cc1cc2c(nc1N1CC[C@@H]3[C@H]1CC[N@H+]3Cc1cccnc1)CCOC2	ZINC001164735890	720464130	/nfs/dbraw/zinc/46/41/30/720464130.db2.gz	ZAAMEJDARPQYKF-WOJBJXKFSA-N	1	1	361.449	2.274	20	30		FEEDMO
Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C#N)n1	ZINC001164844182	720586941	/nfs/dbraw/zinc/58/69/41/720586941.db2.gz	ZQEDSWZJZUFGBN-ZHALLVOQSA-N	1	1	365.485	2.231	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc(C4(C#N)CCC4)cn3)CC[C@@H]2C1	ZINC001164862197	720854584	/nfs/dbraw/zinc/85/45/84/720854584.db2.gz	ZKIMBZPIMYIIHY-IEBWSBKVSA-N	1	1	370.497	2.200	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc4c(cc3C#N)CCCC4)CC[C@@H]2C1	ZINC001164863764	720874740	/nfs/dbraw/zinc/87/47/40/720874740.db2.gz	UDPSRJJHPXKTGK-YLJYHZDGSA-N	1	1	370.497	2.006	20	30		FEEDMO
N#Cc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl	ZINC001164870870	721054621	/nfs/dbraw/zinc/05/46/21/721054621.db2.gz	WZIHLMPZWWJYTI-HOTGVXAUSA-N	1	1	369.856	2.481	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(C#N)cc4Cl)C[C@@H]3C2)cn1	ZINC001164765793	721081787	/nfs/dbraw/zinc/08/17/87/721081787.db2.gz	JUTQTOJCEBBVSC-CVEARBPZSA-N	1	1	356.861	2.298	20	30		FEEDMO
N#Cc1cnc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164898534	721521469	/nfs/dbraw/zinc/52/14/69/721521469.db2.gz	IIOJWRJGVDQDPR-HOCLYGCPSA-N	1	1	373.819	2.483	20	30		FEEDMO
N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2	ZINC001164967049	722070433	/nfs/dbraw/zinc/07/04/33/722070433.db2.gz	GJCNNHNHHCMXEQ-BETUJISGSA-N	1	1	368.815	2.451	20	30		FEEDMO
N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2	ZINC001164967049	722070435	/nfs/dbraw/zinc/07/04/35/722070435.db2.gz	GJCNNHNHHCMXEQ-BETUJISGSA-N	1	1	368.815	2.451	20	30		FEEDMO
N#Cc1cc(Cl)nc(C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1	ZINC001164966830	722072482	/nfs/dbraw/zinc/07/24/82/722072482.db2.gz	FAWOUJFQOMJVAH-OKILXGFUSA-N	1	1	368.815	2.451	20	30		FEEDMO
N#Cc1cc(Cl)nc(C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1	ZINC001164966830	722072483	/nfs/dbraw/zinc/07/24/83/722072483.db2.gz	FAWOUJFQOMJVAH-OKILXGFUSA-N	1	1	368.815	2.451	20	30		FEEDMO
N#Cc1cc2c(nc1NCc1ccccc1C[NH+]1CCOCC1)CCOC2	ZINC000514581138	815888632	/nfs/dbraw/zinc/88/86/32/815888632.db2.gz	VPGIBJHOEYPIGB-UHFFFAOYSA-N	1	1	364.449	2.470	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000498758895	885703190	/nfs/dbraw/zinc/70/31/90/885703190.db2.gz	GQJCZOBOXQYPBF-CYBMUJFWSA-N	1	1	356.405	2.441	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN(Cc2cccs2)CC1)Cc1cccc(C#N)c1	ZINC000026331449	539783897	/nfs/dbraw/zinc/78/38/97/539783897.db2.gz	PKAJNIQRTKXIIV-UHFFFAOYSA-N	1	1	368.506	2.396	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN(Cc2cccs2)CC1)Cc1cccc(C#N)c1	ZINC000026331449	539783901	/nfs/dbraw/zinc/78/39/01/539783901.db2.gz	PKAJNIQRTKXIIV-UHFFFAOYSA-N	1	1	368.506	2.396	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](Cc1cccc(Br)c1)C1CC1	ZINC000026446384	539786728	/nfs/dbraw/zinc/78/67/28/539786728.db2.gz	LNDRBXYNGVXAIO-UHFFFAOYSA-N	1	1	366.259	2.425	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](Cc1cccc(Br)c1)C1CC1	ZINC000026446384	539786732	/nfs/dbraw/zinc/78/67/32/539786732.db2.gz	LNDRBXYNGVXAIO-UHFFFAOYSA-N	1	1	366.259	2.425	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1N1CCOCC1	ZINC000027511546	539808451	/nfs/dbraw/zinc/80/84/51/539808451.db2.gz	OEZWHMVOCAPKDG-UTKZUKDTSA-N	1	1	372.513	2.398	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1N1CCOCC1	ZINC000027511546	539808454	/nfs/dbraw/zinc/80/84/54/539808454.db2.gz	OEZWHMVOCAPKDG-UTKZUKDTSA-N	1	1	372.513	2.398	20	30		FEEDMO
CN(C)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000032299258	539934007	/nfs/dbraw/zinc/93/40/07/539934007.db2.gz	GFDYAHQSUJDXSU-UHFFFAOYSA-N	1	1	363.465	2.367	20	30		FEEDMO
CN(C)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000032299258	539934009	/nfs/dbraw/zinc/93/40/09/539934009.db2.gz	GFDYAHQSUJDXSU-UHFFFAOYSA-N	1	1	363.465	2.367	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1	ZINC000041732503	540030877	/nfs/dbraw/zinc/03/08/77/540030877.db2.gz	PWKUONSXLPQDHI-UHFFFAOYSA-N	1	1	362.433	2.061	20	30		FEEDMO
CC(=O)NCCCCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000042004578	540045021	/nfs/dbraw/zinc/04/50/21/540045021.db2.gz	ADTQUFBVCVXYOR-UHFFFAOYSA-N	1	1	370.497	2.289	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)N1CC[NH+](CCOc2ccccc2)CC1	ZINC000042384950	540061735	/nfs/dbraw/zinc/06/17/35/540061735.db2.gz	JSLCGWDNIJWSNJ-IBGZPJMESA-N	1	1	357.498	2.272	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1	ZINC000042979233	540084759	/nfs/dbraw/zinc/08/47/59/540084759.db2.gz	XWHATIMRXVXYJX-OXJNMPFZSA-N	1	1	362.518	2.154	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)cc1C	ZINC000043784259	540109389	/nfs/dbraw/zinc/10/93/89/540109389.db2.gz	SUOSDNIVDXDSFJ-UHFFFAOYSA-N	1	1	370.497	2.350	20	30		FEEDMO
N#Cc1ccc(CNC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1	ZINC000048982198	540378305	/nfs/dbraw/zinc/37/83/05/540378305.db2.gz	MAAZTPWFNJFTCI-UHFFFAOYSA-N	1	1	363.465	2.180	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c1	ZINC000052931292	540500976	/nfs/dbraw/zinc/50/09/76/540500976.db2.gz	CAAXLSOHNQWCOG-QGZVFWFLSA-N	1	1	354.454	2.125	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1	ZINC000054286796	540581056	/nfs/dbraw/zinc/58/10/56/540581056.db2.gz	ULANWCGWGMEQSE-AWEZNQCLSA-N	1	1	372.513	2.423	20	30		FEEDMO
N#Cc1ccccc1OCC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000056039476	540695585	/nfs/dbraw/zinc/69/55/85/540695585.db2.gz	GFIYQMSUJGBXOU-UHFFFAOYSA-N	1	1	365.433	2.450	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1	ZINC000057676956	540806950	/nfs/dbraw/zinc/80/69/50/540806950.db2.gz	SLCVYXLNFVWLDL-UHFFFAOYSA-N	1	1	350.422	2.053	20	30		FEEDMO
N#CC1CC[NH+](CC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1	ZINC000057879236	540821202	/nfs/dbraw/zinc/82/12/02/540821202.db2.gz	RMWJCSSPZOGBBZ-UHFFFAOYSA-N	1	1	354.454	2.099	20	30		FEEDMO
C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1	ZINC000058422042	540842401	/nfs/dbraw/zinc/84/24/01/540842401.db2.gz	HYZYVBUTRBSNPP-FUHWJXTLSA-N	1	1	354.406	2.070	20	30		FEEDMO
N#Cc1cccc(OCC[N@H+]2CCCN(C(=O)c3ccccn3)CC2)c1	ZINC000063522791	541172420	/nfs/dbraw/zinc/17/24/20/541172420.db2.gz	HXWFCGVZTNWCJO-UHFFFAOYSA-N	1	1	350.422	2.180	20	30		FEEDMO
N#Cc1cccc(OCC[N@@H+]2CCCN(C(=O)c3ccccn3)CC2)c1	ZINC000063522791	541172423	/nfs/dbraw/zinc/17/24/23/541172423.db2.gz	HXWFCGVZTNWCJO-UHFFFAOYSA-N	1	1	350.422	2.180	20	30		FEEDMO
Cc1noc(C)c1CN1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000065682256	541253455	/nfs/dbraw/zinc/25/34/55/541253455.db2.gz	BFGXISHCFNUISA-UHFFFAOYSA-N	1	1	367.453	2.310	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)CC2)CCO1	ZINC000066396087	541313181	/nfs/dbraw/zinc/31/31/81/541313181.db2.gz	XBNUZJOWHRMPQH-BBOMDTFKSA-N	1	1	369.465	2.314	20	30		FEEDMO
C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)Cc2cccc(C#N)c2)C1	ZINC000067405258	541459079	/nfs/dbraw/zinc/45/90/79/541459079.db2.gz	VJTHXJDRIVCDBJ-GOSISDBHSA-N	1	1	355.463	2.381	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000067416103	541460745	/nfs/dbraw/zinc/46/07/45/541460745.db2.gz	XVFIQNWYQXGEKX-TZMCWYRMSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000067416103	541460748	/nfs/dbraw/zinc/46/07/48/541460748.db2.gz	XVFIQNWYQXGEKX-TZMCWYRMSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1	ZINC000067682941	541498692	/nfs/dbraw/zinc/49/86/92/541498692.db2.gz	DUIUYCSABBOGST-INIZCTEOSA-N	1	1	373.476	2.259	20	30		FEEDMO
CCN(CC)C(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000069682268	541703349	/nfs/dbraw/zinc/70/33/49/541703349.db2.gz	XCFKTUBMXKDARI-KXBFYZLASA-N	1	1	350.507	2.010	20	30		FEEDMO
CN(C(=O)NC1CCN(CC#N)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000074878002	542133385	/nfs/dbraw/zinc/13/33/85/542133385.db2.gz	HDYDUDLYLYSYFX-FQEVSTJZSA-N	1	1	369.513	2.280	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](C(=O)NCC4CC4)C3)o2)cc1	ZINC000075638414	542194779	/nfs/dbraw/zinc/19/47/79/542194779.db2.gz	UYZONGKJADMGRW-KRWDZBQOSA-N	1	1	365.437	2.346	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](C(=O)NCC4CC4)C3)o2)cc1	ZINC000075638414	542194784	/nfs/dbraw/zinc/19/47/84/542194784.db2.gz	UYZONGKJADMGRW-KRWDZBQOSA-N	1	1	365.437	2.346	20	30		FEEDMO
COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](CCO[C@H](C)C#N)CC1	ZINC000801928632	674155752	/nfs/dbraw/zinc/15/57/52/674155752.db2.gz	GQXBDWARPKDJRP-PBHICJAKSA-N	1	1	365.861	2.100	20	30		FEEDMO
C=CCOCCCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000079894332	542548644	/nfs/dbraw/zinc/54/86/44/542548644.db2.gz	GDZGKIDEJPCSTF-QGZVFWFLSA-N	1	1	359.470	2.305	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)NC2CCN(CC#N)CC2)CC[N@H+]1Cc1ccccc1	ZINC000080122536	542567408	/nfs/dbraw/zinc/56/74/08/542567408.db2.gz	NPSUCKMPMSUIGM-FXAWDEMLSA-N	1	1	369.513	2.327	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1	ZINC000080432896	542589002	/nfs/dbraw/zinc/58/90/02/542589002.db2.gz	IEBXXJUUDBBWFB-SFHVURJKSA-N	1	1	374.504	2.244	20	30		FEEDMO
COCC[N@@H+](C)CC[C@H](NC(=O)c1cc(C#N)cn1C)c1ccccc1	ZINC000081155232	542636714	/nfs/dbraw/zinc/63/67/14/542636714.db2.gz	BJZCMZSQRLGSBP-SFHVURJKSA-N	1	1	354.454	2.336	20	30		FEEDMO
Cn1c(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)nc2cc(Cl)ccc21	ZINC000089942866	542776254	/nfs/dbraw/zinc/77/62/54/542776254.db2.gz	GWZAAWBYTDDJEU-UHFFFAOYSA-N	1	1	357.849	2.468	20	30		FEEDMO
Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)n1	ZINC000091593746	542814208	/nfs/dbraw/zinc/81/42/08/542814208.db2.gz	NYUBPQBBRWOSBR-UXHICEINSA-N	1	1	369.513	2.219	20	30		FEEDMO
Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)n1	ZINC000091593746	542814213	/nfs/dbraw/zinc/81/42/13/542814213.db2.gz	NYUBPQBBRWOSBR-UXHICEINSA-N	1	1	369.513	2.219	20	30		FEEDMO
C#CCCOc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1	ZINC000091936752	542833479	/nfs/dbraw/zinc/83/34/79/542833479.db2.gz	BCJUTDADPNFCLH-QGZVFWFLSA-N	1	1	361.449	2.461	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1	ZINC000091936752	542833480	/nfs/dbraw/zinc/83/34/80/542833480.db2.gz	BCJUTDADPNFCLH-QGZVFWFLSA-N	1	1	361.449	2.461	20	30		FEEDMO
Cc1[nH+]cn(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1C	ZINC000092856985	542892110	/nfs/dbraw/zinc/89/21/10/542892110.db2.gz	MSLKETQWNMAJHA-GOSISDBHSA-N	1	1	355.417	2.048	20	30		FEEDMO
CN(CCC#N)C(=O)CC[NH+]1CCN(C(=O)CCC2CCCCC2)CC1	ZINC000092794595	542887106	/nfs/dbraw/zinc/88/71/06/542887106.db2.gz	PGIFDKCIVNZCLB-UHFFFAOYSA-N	1	1	362.518	2.253	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1	ZINC000093014333	542901753	/nfs/dbraw/zinc/90/17/53/542901753.db2.gz	GPEDIHMMSIIKHG-VQIMIIECSA-N	1	1	357.454	2.191	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)c(C#N)c2)C1	ZINC000103156840	543095522	/nfs/dbraw/zinc/09/55/22/543095522.db2.gz	VCNWYQQPBYRCEA-ZDUSSCGKSA-N	1	1	353.463	2.486	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2CC(N)=O)c1C	ZINC000103286614	543101196	/nfs/dbraw/zinc/10/11/96/543101196.db2.gz	YFZIUDNVPMNCCX-QGZVFWFLSA-N	1	1	356.470	2.280	20	30		FEEDMO
C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000104075751	543122183	/nfs/dbraw/zinc/12/21/83/543122183.db2.gz	GENLSMUZYIPMNO-STQMWFEESA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000104075751	543122185	/nfs/dbraw/zinc/12/21/85/543122185.db2.gz	GENLSMUZYIPMNO-STQMWFEESA-N	1	1	374.510	2.413	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104716169	543138704	/nfs/dbraw/zinc/13/87/04/543138704.db2.gz	NWZYMANBZXMAPE-UHFFFAOYSA-N	1	1	365.437	2.057	20	30		FEEDMO
C[N@@H+](CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C1CCCC1	ZINC000104806176	543145877	/nfs/dbraw/zinc/14/58/77/543145877.db2.gz	FAMBFBNXVOSJAJ-UHFFFAOYSA-N	1	1	373.476	2.403	20	30		FEEDMO
Cc1oc(NC(=O)C[N@H+](C)C[C@H]2CCCN2c2cccnn2)c(C#N)c1C	ZINC000106087136	543193906	/nfs/dbraw/zinc/19/39/06/543193906.db2.gz	GXLHRAJSGPFTSW-OAHLLOKOSA-N	1	1	368.441	2.097	20	30		FEEDMO
Cc1oc(NC(=O)C[N@@H+](C)C[C@H]2CCCN2c2cccnn2)c(C#N)c1C	ZINC000106087136	543193909	/nfs/dbraw/zinc/19/39/09/543193909.db2.gz	GXLHRAJSGPFTSW-OAHLLOKOSA-N	1	1	368.441	2.097	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1	ZINC000108406664	543289287	/nfs/dbraw/zinc/28/92/87/543289287.db2.gz	LPLFLFMPNLGVFF-LBPRGKRZSA-N	1	1	361.389	2.197	20	30		FEEDMO
CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1	ZINC000108609649	543297156	/nfs/dbraw/zinc/29/71/56/543297156.db2.gz	GGOKPGHXOMDOJK-HNNXBMFYSA-N	1	1	374.510	2.429	20	30		FEEDMO
COc1cccc(NC2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)c1	ZINC000110037303	543347181	/nfs/dbraw/zinc/34/71/81/543347181.db2.gz	RBFOARYDCWSNHW-UHFFFAOYSA-N	1	1	369.469	2.227	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)N3CCC(C#N)CC3)CC2)oc1C	ZINC000111536574	543406147	/nfs/dbraw/zinc/40/61/47/543406147.db2.gz	BRVNJIFRJJDTGA-UHFFFAOYSA-N	1	1	359.474	2.449	20	30		FEEDMO
C=CCCC[N@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000117875830	543641192	/nfs/dbraw/zinc/64/11/92/543641192.db2.gz	FDOFVYLBZFVQPN-UHFFFAOYSA-N	1	1	366.483	2.120	20	30		FEEDMO
C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COC1CCOCC1	ZINC000119082417	543663660	/nfs/dbraw/zinc/66/36/60/543663660.db2.gz	MQDMTZZRXRMKOE-QGZVFWFLSA-N	1	1	350.415	2.139	20	30		FEEDMO
COC(=O)c1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c[nH]1	ZINC000122830358	543725941	/nfs/dbraw/zinc/72/59/41/543725941.db2.gz	VPDXFLPWKWLJBL-UHFFFAOYSA-N	1	1	352.438	2.381	20	30		FEEDMO
COC(=O)c1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c[nH]1	ZINC000122830358	543725944	/nfs/dbraw/zinc/72/59/44/543725944.db2.gz	VPDXFLPWKWLJBL-UHFFFAOYSA-N	1	1	352.438	2.381	20	30		FEEDMO
COC(=O)c1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c[nH]1	ZINC000122830358	543725947	/nfs/dbraw/zinc/72/59/47/543725947.db2.gz	VPDXFLPWKWLJBL-UHFFFAOYSA-N	1	1	352.438	2.381	20	30		FEEDMO
N#Cc1cc(F)c(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c(F)c1	ZINC000127109647	543973631	/nfs/dbraw/zinc/97/36/31/543973631.db2.gz	XQMWXWMGQUPKKF-HZPDHXFCSA-N	1	1	371.387	2.202	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1	ZINC000127308500	543984906	/nfs/dbraw/zinc/98/49/06/543984906.db2.gz	JIQUMJHKJKHGGW-SFHVURJKSA-N	1	1	353.510	2.384	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)C3CCC(C)(C)CC3)CC2)o1	ZINC000127681996	544007811	/nfs/dbraw/zinc/00/78/11/544007811.db2.gz	FEFRZRJRSZASAJ-UHFFFAOYSA-N	1	1	373.501	2.404	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3[C@H]2CO)cc1	ZINC000129413517	544110883	/nfs/dbraw/zinc/11/08/83/544110883.db2.gz	CKAVEWAGNTXRAQ-GHTZIAJQSA-N	1	1	352.434	2.084	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@@H+]3CCCN(c4ncccc4C#N)CC3)n2c1	ZINC000129656186	544122180	/nfs/dbraw/zinc/12/21/80/544122180.db2.gz	SPQBTCSPBGVHGN-UHFFFAOYSA-N	1	1	357.421	2.185	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@H+]3CCCN(c4ncccc4C#N)CC3)n2c1	ZINC000129656186	544122182	/nfs/dbraw/zinc/12/21/82/544122182.db2.gz	SPQBTCSPBGVHGN-UHFFFAOYSA-N	1	1	357.421	2.185	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N(C)CCCn3cc[nH+]c3C)cc2C1=O	ZINC000130766299	544163777	/nfs/dbraw/zinc/16/37/77/544163777.db2.gz	HDXJPQYFAHOTAW-UHFFFAOYSA-N	1	1	366.421	2.136	20	30		FEEDMO
CCOc1ccnc(N2CCC[N@@H+](Cc3ccc(OC)c(C#N)c3)CC2)n1	ZINC000135164737	544336546	/nfs/dbraw/zinc/33/65/46/544336546.db2.gz	LEMPHJLQDAKKRQ-UHFFFAOYSA-N	1	1	367.453	2.468	20	30		FEEDMO
CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153309979	544758955	/nfs/dbraw/zinc/75/89/55/544758955.db2.gz	VSKIVJTXJJYKNV-GOSISDBHSA-N	1	1	368.485	2.338	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1	ZINC000153808089	544826185	/nfs/dbraw/zinc/82/61/85/544826185.db2.gz	NFUNIGGXVDTPJB-UYAOXDASSA-N	1	1	355.438	2.040	20	30		FEEDMO
COc1cc(N[C@H]2CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)cc(OC)c1	ZINC000155185044	544998928	/nfs/dbraw/zinc/99/89/28/544998928.db2.gz	GRYCJHUBVIABTR-HOTGVXAUSA-N	1	1	374.485	2.341	20	30		FEEDMO
CC[N@@H+]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1	ZINC000155197146	545000429	/nfs/dbraw/zinc/00/04/29/545000429.db2.gz	DUWZGJZGYGJBNS-UHFFFAOYSA-N	1	1	372.288	2.037	20	30		FEEDMO
CC[N@H+]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1	ZINC000155197146	545000431	/nfs/dbraw/zinc/00/04/31/545000431.db2.gz	DUWZGJZGYGJBNS-UHFFFAOYSA-N	1	1	372.288	2.037	20	30		FEEDMO
CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000155249344	545005645	/nfs/dbraw/zinc/00/56/45/545005645.db2.gz	RBZBXTWOPVLWFS-CYBMUJFWSA-N	1	1	372.288	2.035	20	30		FEEDMO
CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000155249344	545005649	/nfs/dbraw/zinc/00/56/49/545005649.db2.gz	RBZBXTWOPVLWFS-CYBMUJFWSA-N	1	1	372.288	2.035	20	30		FEEDMO
Cn1cc(N2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cn1	ZINC000180152311	327673508	/nfs/dbraw/zinc/67/35/08/327673508.db2.gz	UDGMLCMOFARGGG-UHFFFAOYSA-N	1	1	361.453	2.014	20	30		FEEDMO
C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000189146852	328131173	/nfs/dbraw/zinc/13/11/73/328131173.db2.gz	GELVSELWBOTGLW-VXGBXAGGSA-N	1	1	357.426	2.235	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000189146852	328131175	/nfs/dbraw/zinc/13/11/75/328131175.db2.gz	GELVSELWBOTGLW-VXGBXAGGSA-N	1	1	357.426	2.235	20	30		FEEDMO
Cn1cc([C@H]2CSCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)cn1	ZINC000191200611	328253724	/nfs/dbraw/zinc/25/37/24/328253724.db2.gz	LWTFSIVACDYOQA-QGZVFWFLSA-N	1	1	355.467	2.410	20	30		FEEDMO
Cn1cc([C@H]2CSCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)cn1	ZINC000191200611	328253725	/nfs/dbraw/zinc/25/37/25/328253725.db2.gz	LWTFSIVACDYOQA-QGZVFWFLSA-N	1	1	355.467	2.410	20	30		FEEDMO
N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000192988070	328350761	/nfs/dbraw/zinc/35/07/61/328350761.db2.gz	XHSZCJXUGARDGR-KRWDZBQOSA-N	1	1	355.463	2.359	20	30		FEEDMO
N#Cc1cccnc1N1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1	ZINC000076479441	324946017	/nfs/dbraw/zinc/94/60/17/324946017.db2.gz	FWRLLHPZQDSFEB-UHFFFAOYSA-N	1	1	353.401	2.243	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc(C#N)cn3C)c2)CCO1	ZINC000081713928	325193569	/nfs/dbraw/zinc/19/35/69/325193569.db2.gz	QHVDLEVASVEDNF-HNNXBMFYSA-N	1	1	352.438	2.047	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc(C#N)cn3C)c2)CCO1	ZINC000081713928	325193571	/nfs/dbraw/zinc/19/35/71/325193571.db2.gz	QHVDLEVASVEDNF-HNNXBMFYSA-N	1	1	352.438	2.047	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1	ZINC000088605624	325298824	/nfs/dbraw/zinc/29/88/24/325298824.db2.gz	SHNTYIWZKDTRNG-SFHVURJKSA-N	1	1	353.378	2.264	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1	ZINC000088605624	325298827	/nfs/dbraw/zinc/29/88/27/325298827.db2.gz	SHNTYIWZKDTRNG-SFHVURJKSA-N	1	1	353.378	2.264	20	30		FEEDMO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc(CCc2ccccc2)no1	ZINC000089942821	325343877	/nfs/dbraw/zinc/34/38/77/325343877.db2.gz	WZUBVWXHKGDFOH-UHFFFAOYSA-N	1	1	365.441	2.096	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc(CCc2ccccc2)no1	ZINC000089942821	325343881	/nfs/dbraw/zinc/34/38/81/325343881.db2.gz	WZUBVWXHKGDFOH-UHFFFAOYSA-N	1	1	365.441	2.096	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)c1C#N	ZINC000114373989	325886336	/nfs/dbraw/zinc/88/63/36/325886336.db2.gz	TWZZUXRNWRKXEA-ZDUSSCGKSA-N	1	1	374.510	2.393	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[NH+]1CCN(CC(F)(F)C(F)F)CC1	ZINC000114492293	325900767	/nfs/dbraw/zinc/90/07/67/325900767.db2.gz	NDHAGSGPWMQFGX-UHFFFAOYSA-N	1	1	372.366	2.405	20	30		FEEDMO
CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1	ZINC000118109484	326082148	/nfs/dbraw/zinc/08/21/48/326082148.db2.gz	GILLOPXLOQXUIT-UHFFFAOYSA-N	1	1	366.421	2.357	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](CC(C)C)C3)CC2)o1	ZINC000119369465	326154264	/nfs/dbraw/zinc/15/42/64/326154264.db2.gz	BDSXQPNQSUMQHA-KRWDZBQOSA-N	1	1	373.501	2.261	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1cccs1	ZINC000120429383	326258039	/nfs/dbraw/zinc/25/80/39/326258039.db2.gz	KPYSTOBJTNZZMD-OAHLLOKOSA-N	1	1	367.471	2.481	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1	ZINC000122159240	326386115	/nfs/dbraw/zinc/38/61/15/326386115.db2.gz	UOPQFWWFFUFWAW-CZUORRHYSA-N	1	1	360.845	2.093	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000162197787	327019626	/nfs/dbraw/zinc/01/96/26/327019626.db2.gz	GTLOQSWFVWZSDY-CYBMUJFWSA-N	1	1	372.288	2.083	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000165222869	327077083	/nfs/dbraw/zinc/07/70/83/327077083.db2.gz	SQSIKXHDNRSZFR-INIZCTEOSA-N	1	1	367.490	2.485	20	30		FEEDMO
CC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCCO1	ZINC000172172833	327185509	/nfs/dbraw/zinc/18/55/09/327185509.db2.gz	SPRINWAPBUKBFR-KRWDZBQOSA-N	1	1	353.426	2.183	20	30		FEEDMO
CC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCCO1	ZINC000172172833	327185511	/nfs/dbraw/zinc/18/55/11/327185511.db2.gz	SPRINWAPBUKBFR-KRWDZBQOSA-N	1	1	353.426	2.183	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000173312665	327249175	/nfs/dbraw/zinc/24/91/75/327249175.db2.gz	IWFSJTNMMXUFBS-UHFFFAOYSA-N	1	1	352.847	2.475	20	30		FEEDMO
CC[NH+](CC)CCOc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1	ZINC000174325446	327319742	/nfs/dbraw/zinc/31/97/42/327319742.db2.gz	KUDIKIRQVVXGOB-UHFFFAOYSA-N	1	1	374.466	2.475	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)c1C#N	ZINC000174781514	327350502	/nfs/dbraw/zinc/35/05/02/327350502.db2.gz	KBEYXJSFKDPBTL-UHFFFAOYSA-N	1	1	350.422	2.053	20	30		FEEDMO
C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2cc(C#N)c[nH]2)C[C@@H](C)O1	ZINC000175334702	327387702	/nfs/dbraw/zinc/38/77/02/327387702.db2.gz	WLWRPZMIEAMKLS-HUUCEWRRSA-N	1	1	352.438	2.426	20	30		FEEDMO
N#Cc1c[nH]c(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000175355578	327388846	/nfs/dbraw/zinc/38/88/46/327388846.db2.gz	DIVAVPXZOCMCBX-UHFFFAOYSA-N	1	1	365.481	2.214	20	30		FEEDMO
CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264137335	328994376	/nfs/dbraw/zinc/99/43/76/328994376.db2.gz	PLEGWZJOVQOGDO-CQSZACIVSA-N	1	1	358.442	2.024	20	30		FEEDMO
Cc1ncc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000264225998	329002159	/nfs/dbraw/zinc/00/21/59/329002159.db2.gz	WVXCXINAPOKWOT-UHFFFAOYSA-N	1	1	350.426	2.397	20	30		FEEDMO
Cc1ncc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000264225998	329002161	/nfs/dbraw/zinc/00/21/61/329002161.db2.gz	WVXCXINAPOKWOT-UHFFFAOYSA-N	1	1	350.426	2.397	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000264288332	329007434	/nfs/dbraw/zinc/00/74/34/329007434.db2.gz	TYVVODRAGFEMQB-MDZRGWNJSA-N	1	1	356.470	2.341	20	30		FEEDMO
C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccc(C#N)cc1	ZINC000264518199	329032005	/nfs/dbraw/zinc/03/20/05/329032005.db2.gz	HDTRKXGLXZHIQM-PXNSSMCTSA-N	1	1	369.513	2.431	20	30		FEEDMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1	ZINC000264691824	329049333	/nfs/dbraw/zinc/04/93/33/329049333.db2.gz	DTGWSDTUAYFPNK-AWEZNQCLSA-N	1	1	360.458	2.019	20	30		FEEDMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1	ZINC000264691824	329049334	/nfs/dbraw/zinc/04/93/34/329049334.db2.gz	DTGWSDTUAYFPNK-AWEZNQCLSA-N	1	1	360.458	2.019	20	30		FEEDMO
CCN1CC[NH+](CCCNC(=O)CCCCOc2cccc(C#N)c2)CC1	ZINC000264833628	329065869	/nfs/dbraw/zinc/06/58/69/329065869.db2.gz	ZYWKBXLIERRIDV-UHFFFAOYSA-N	1	1	372.513	2.251	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1	ZINC000265746629	329156163	/nfs/dbraw/zinc/15/61/63/329156163.db2.gz	FIDZVUDPHTUJHR-UHFFFAOYSA-N	1	1	354.454	2.282	20	30		FEEDMO
CCc1nnc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C#N)c1CC	ZINC000268162911	329392248	/nfs/dbraw/zinc/39/22/48/329392248.db2.gz	ILDXSBNAMSQUFK-MRXNPFEDSA-N	1	1	356.518	2.079	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(c3nccc(C)c3C#N)CC2)CC1	ZINC000273391506	329861205	/nfs/dbraw/zinc/86/12/05/329861205.db2.gz	UWNOFLZDGVWBTM-UHFFFAOYSA-N	1	1	355.486	2.032	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000275888818	330100225	/nfs/dbraw/zinc/10/02/25/330100225.db2.gz	FJQHPLKPGPCPDH-XJKSGUPXSA-N	1	1	360.845	2.093	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)o1	ZINC000276415341	330149862	/nfs/dbraw/zinc/14/98/62/330149862.db2.gz	JBHRHMMEJDIWDQ-BBRMVZONSA-N	1	1	359.474	2.012	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1	ZINC000367079011	330214278	/nfs/dbraw/zinc/21/42/78/330214278.db2.gz	RLUIQWNPPNLVOS-CVEARBPZSA-N	1	1	358.442	2.332	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1	ZINC000367079011	330214280	/nfs/dbraw/zinc/21/42/80/330214280.db2.gz	RLUIQWNPPNLVOS-CVEARBPZSA-N	1	1	358.442	2.332	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1	ZINC000367079015	330214325	/nfs/dbraw/zinc/21/43/25/330214325.db2.gz	RLUIQWNPPNLVOS-HZPDHXFCSA-N	1	1	358.442	2.332	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1	ZINC000367079015	330214326	/nfs/dbraw/zinc/21/43/26/330214326.db2.gz	RLUIQWNPPNLVOS-HZPDHXFCSA-N	1	1	358.442	2.332	20	30		FEEDMO
CC(=O)N[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C	ZINC000448620834	330279168	/nfs/dbraw/zinc/27/91/68/330279168.db2.gz	GIKJOFRQMITVFB-LJQANCHMSA-N	1	1	370.497	2.143	20	30		FEEDMO
CC(=O)N[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C	ZINC000448620834	330279169	/nfs/dbraw/zinc/27/91/69/330279169.db2.gz	GIKJOFRQMITVFB-LJQANCHMSA-N	1	1	370.497	2.143	20	30		FEEDMO
C#C[C@@H](NC(=O)NCC[N@H+](C)CCCOC)c1ccc(Cl)cc1F	ZINC000805152725	674323717	/nfs/dbraw/zinc/32/37/17/674323717.db2.gz	JTCWYGOWKWUFIQ-MRXNPFEDSA-N	1	1	355.841	2.421	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Cc3ccccc3)C2)nc1	ZINC000554737737	674333593	/nfs/dbraw/zinc/33/35/93/674333593.db2.gz	QYKRVZINPWKRAN-QGZVFWFLSA-N	1	1	355.463	2.292	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](Cc3ccccc3)C2)nc1	ZINC000554737737	674333597	/nfs/dbraw/zinc/33/35/97/674333597.db2.gz	QYKRVZINPWKRAN-QGZVFWFLSA-N	1	1	355.463	2.292	20	30		FEEDMO
COc1ccc(C[N@@H+](CCO)C2CCN(C)CC2)cc1OCCCC#N	ZINC000155503791	545534703	/nfs/dbraw/zinc/53/47/03/545534703.db2.gz	XZXKNWWADUVMCJ-UHFFFAOYSA-N	1	1	361.486	2.266	20	30		FEEDMO
COc1ccc(CN(CCO)C2CC[NH+](C)CC2)cc1OCCCC#N	ZINC000155503791	545534705	/nfs/dbraw/zinc/53/47/05/545534705.db2.gz	XZXKNWWADUVMCJ-UHFFFAOYSA-N	1	1	361.486	2.266	20	30		FEEDMO
C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2F)C1=O	ZINC000156372442	545622301	/nfs/dbraw/zinc/62/23/01/545622301.db2.gz	WLDFNFNGGCAGQA-RTBURBONSA-N	1	1	353.397	2.468	20	30		FEEDMO
C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2F)C1=O	ZINC000156372442	545622305	/nfs/dbraw/zinc/62/23/05/545622305.db2.gz	WLDFNFNGGCAGQA-RTBURBONSA-N	1	1	353.397	2.468	20	30		FEEDMO
CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000156922400	545676466	/nfs/dbraw/zinc/67/64/66/545676466.db2.gz	LEJOMENLCKOJDL-KRWDZBQOSA-N	1	1	373.501	2.404	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000156937506	545679437	/nfs/dbraw/zinc/67/94/37/545679437.db2.gz	HSCWXMLREMIGKS-XLIONFOSSA-N	1	1	373.522	2.281	20	30		FEEDMO
CN(C)CC[NH+]1CCC(NC(=O)N[C@H](CCC#N)c2ccccc2)CC1	ZINC000157448101	545743819	/nfs/dbraw/zinc/74/38/19/545743819.db2.gz	IBMAYQQRLMKJGB-LJQANCHMSA-N	1	1	357.502	2.357	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](C)C[C@H]1CCCN1c1cccnn1	ZINC000157932184	545801170	/nfs/dbraw/zinc/80/11/70/545801170.db2.gz	CIQTUOYLKDCCPN-QGZVFWFLSA-N	1	1	367.453	2.336	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1C#N	ZINC000158034159	545813934	/nfs/dbraw/zinc/81/39/34/545813934.db2.gz	OXODJNHHJBZDSG-BZNIZROVSA-N	1	1	360.483	2.001	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1C#N	ZINC000158034159	545813937	/nfs/dbraw/zinc/81/39/37/545813937.db2.gz	OXODJNHHJBZDSG-BZNIZROVSA-N	1	1	360.483	2.001	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000159092325	545920917	/nfs/dbraw/zinc/92/09/17/545920917.db2.gz	QPFFGSWIFPUUMJ-OAHLLOKOSA-N	1	1	357.454	2.028	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000159092325	545920921	/nfs/dbraw/zinc/92/09/21/545920921.db2.gz	QPFFGSWIFPUUMJ-OAHLLOKOSA-N	1	1	357.454	2.028	20	30		FEEDMO
C[C@@H](O)C[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2	ZINC000159451032	545955362	/nfs/dbraw/zinc/95/53/62/545955362.db2.gz	RACVXBILPQNWDQ-OAHLLOKOSA-N	1	1	366.465	2.479	20	30		FEEDMO
C[C@@H](O)C[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2	ZINC000159451032	545955364	/nfs/dbraw/zinc/95/53/64/545955364.db2.gz	RACVXBILPQNWDQ-OAHLLOKOSA-N	1	1	366.465	2.479	20	30		FEEDMO
CN(C)C1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCOCC1	ZINC000160730967	546067102	/nfs/dbraw/zinc/06/71/02/546067102.db2.gz	WVODMMJWYJTVII-UHFFFAOYSA-N	1	1	360.380	2.423	20	30		FEEDMO
N#Cc1ccc(OCC[N@H+]2CCCN(C(=O)c3ccccn3)CC2)cc1	ZINC000165217122	546151873	/nfs/dbraw/zinc/15/18/73/546151873.db2.gz	ORCIOTXYCWSYBY-UHFFFAOYSA-N	1	1	350.422	2.180	20	30		FEEDMO
N#Cc1ccc(OCC[N@@H+]2CCCN(C(=O)c3ccccn3)CC2)cc1	ZINC000165217122	546151877	/nfs/dbraw/zinc/15/18/77/546151877.db2.gz	ORCIOTXYCWSYBY-UHFFFAOYSA-N	1	1	350.422	2.180	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCCN(c4ccccc4)CC3)C2=O)cc1	ZINC000170874160	546181050	/nfs/dbraw/zinc/18/10/50/546181050.db2.gz	HIZHUWVCOBCSEY-HXUWFJFHSA-N	1	1	374.444	2.402	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCCN(c4ccccc4)CC3)C2=O)cc1	ZINC000170874160	546181053	/nfs/dbraw/zinc/18/10/53/546181053.db2.gz	HIZHUWVCOBCSEY-HXUWFJFHSA-N	1	1	374.444	2.402	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](OCCO)C2)c1	ZINC000172295531	546244871	/nfs/dbraw/zinc/24/48/71/546244871.db2.gz	DJFKDBJKFQKCDE-ICSRJNTNSA-N	1	1	373.497	2.412	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](OCCO)C2)c1	ZINC000172295531	546244872	/nfs/dbraw/zinc/24/48/72/546244872.db2.gz	DJFKDBJKFQKCDE-ICSRJNTNSA-N	1	1	373.497	2.412	20	30		FEEDMO
CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1	ZINC000479564411	561191922	/nfs/dbraw/zinc/19/19/22/561191922.db2.gz	FYSDTSHULXGLKK-SFHVURJKSA-N	1	1	365.433	2.336	20	30		FEEDMO
CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1	ZINC000479564411	561191923	/nfs/dbraw/zinc/19/19/23/561191923.db2.gz	FYSDTSHULXGLKK-SFHVURJKSA-N	1	1	365.433	2.336	20	30		FEEDMO
CCC(CC)[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)[NH+]1CCOCC1	ZINC000173332909	546278081	/nfs/dbraw/zinc/27/80/81/546278081.db2.gz	CXJCTOJOVWZBJT-MRXNPFEDSA-N	1	1	362.478	2.055	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000173946635	546289371	/nfs/dbraw/zinc/28/93/71/546289371.db2.gz	GXQATEHINSFGAH-SFHVURJKSA-N	1	1	351.535	2.376	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1	ZINC000175851627	546362173	/nfs/dbraw/zinc/36/21/73/546362173.db2.gz	BTENQAFJFZTROE-CVEARBPZSA-N	1	1	360.483	2.292	20	30		FEEDMO
CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1ccc(F)cc1C#N)C2	ZINC000176004261	546388712	/nfs/dbraw/zinc/38/87/12/546388712.db2.gz	VVYWYPMHLKNQJY-JKSUJKDBSA-N	1	1	358.417	2.110	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc(C#N)cn1C	ZINC000176043474	546395849	/nfs/dbraw/zinc/39/58/49/546395849.db2.gz	XEKYAEWHUZZUDX-SFHVURJKSA-N	1	1	351.454	2.418	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000176898876	546504436	/nfs/dbraw/zinc/50/44/36/546504436.db2.gz	OECCIIOYFBSDKX-QGZVFWFLSA-N	1	1	356.470	2.369	20	30		FEEDMO
C=CCN(CC=C)C(=O)CN1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000177506406	546632478	/nfs/dbraw/zinc/63/24/78/546632478.db2.gz	GKOXQIRTWJXSHA-OALUTQOASA-N	1	1	363.546	2.398	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1	ZINC000481066213	561224343	/nfs/dbraw/zinc/22/43/43/561224343.db2.gz	AVFVVWDLGXUCDP-QGZVFWFLSA-N	1	1	365.474	2.381	20	30		FEEDMO
C=CC[NH+]1CCC(N[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1	ZINC000177908622	546706019	/nfs/dbraw/zinc/70/60/19/546706019.db2.gz	MDBAHTDSDBDSSC-AWEZNQCLSA-N	1	1	352.500	2.400	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@](C)(O)C2)c1C#N	ZINC000177981794	546717218	/nfs/dbraw/zinc/71/72/18/546717218.db2.gz	HCRFKESLENMJJO-HXUWFJFHSA-N	1	1	352.438	2.361	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@](C)(O)C2)c1C#N	ZINC000177981794	546717223	/nfs/dbraw/zinc/71/72/23/546717223.db2.gz	HCRFKESLENMJJO-HXUWFJFHSA-N	1	1	352.438	2.361	20	30		FEEDMO
CC(=O)N[C@@H](C)C1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1	ZINC000481122914	561225666	/nfs/dbraw/zinc/22/56/66/561225666.db2.gz	WZFLFICRCZTLEX-ZDUSSCGKSA-N	1	1	353.426	2.345	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1	ZINC000178512377	546806171	/nfs/dbraw/zinc/80/61/71/546806171.db2.gz	QYYJVJCYEWFXEQ-UHFFFAOYSA-N	1	1	368.412	2.193	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)NCc2ccc(OCC#N)cc2)CC[N@H+]1CCOC	ZINC000179533591	546971878	/nfs/dbraw/zinc/97/18/78/546971878.db2.gz	QCVXPXUPMNRHAJ-GOSISDBHSA-N	1	1	374.485	2.231	20	30		FEEDMO
C=CCNC(=O)CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C	ZINC000180339755	547087206	/nfs/dbraw/zinc/08/72/06/547087206.db2.gz	DPSLDIAAUOGRLE-INIZCTEOSA-N	1	1	358.486	2.162	20	30		FEEDMO
COc1ccccc1[C@@H](CNS(=O)(=O)CC1(C#N)CC1)[NH+]1CCCC1	ZINC000180388844	547097165	/nfs/dbraw/zinc/09/71/65/547097165.db2.gz	YJGPWRCXACLZQJ-MRXNPFEDSA-N	1	1	363.483	2.055	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1	ZINC000180402521	547101930	/nfs/dbraw/zinc/10/19/30/547101930.db2.gz	GRBWDARMSTVDKQ-DOTOQJQBSA-N	1	1	353.466	2.376	20	30		FEEDMO
C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)NC1(C#N)CCC1	ZINC000482993833	561264562	/nfs/dbraw/zinc/26/45/62/561264562.db2.gz	YRWRVLYHBIJFCS-WDEREUQCSA-N	1	1	351.248	2.446	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](C)C1	ZINC000181165279	547261990	/nfs/dbraw/zinc/26/19/90/547261990.db2.gz	NTAQRCGMGFMJSI-WMZOPIPTSA-N	1	1	372.469	2.310	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@@H](C)C1	ZINC000181165279	547261991	/nfs/dbraw/zinc/26/19/91/547261991.db2.gz	NTAQRCGMGFMJSI-WMZOPIPTSA-N	1	1	372.469	2.310	20	30		FEEDMO
C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000483315388	561274025	/nfs/dbraw/zinc/27/40/25/561274025.db2.gz	OYDAWPSSFYRJCP-BLLLJJGKSA-N	1	1	351.834	2.012	20	30		FEEDMO
N#Cc1ccc(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000181567476	547337636	/nfs/dbraw/zinc/33/76/36/547337636.db2.gz	HBGYRVOCLHFVSF-HXUWFJFHSA-N	1	1	364.449	2.124	20	30		FEEDMO
CCCNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182718047	547540524	/nfs/dbraw/zinc/54/05/24/547540524.db2.gz	GYMNPFJPWZQPEZ-IEBWSBKVSA-N	1	1	368.481	2.292	20	30		FEEDMO
C=CC[C@@H](CO)NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000183010348	547588049	/nfs/dbraw/zinc/58/80/49/547588049.db2.gz	NUQYFJRDRXPPKW-FCEWJHQRSA-N	1	1	361.486	2.032	20	30		FEEDMO
C[C@@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)C(=O)NC1(C#N)CCCCC1	ZINC000183075736	547596488	/nfs/dbraw/zinc/59/64/88/547596488.db2.gz	NUBBXOSLWRGDKV-HMFAJSFMSA-N	1	1	361.511	2.427	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000184617732	547855248	/nfs/dbraw/zinc/85/52/48/547855248.db2.gz	YSLYOAKYIHAIAY-CVEARBPZSA-N	1	1	359.474	2.125	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000184617717	547855287	/nfs/dbraw/zinc/85/52/87/547855287.db2.gz	YSLYOAKYIHAIAY-HOTGVXAUSA-N	1	1	359.474	2.125	20	30		FEEDMO
C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nnnn1-c1ccccc1	ZINC000184802720	547880798	/nfs/dbraw/zinc/88/07/98/547880798.db2.gz	HWBZZKOLCJNBAK-AWEZNQCLSA-N	1	1	361.409	2.213	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C	ZINC000185406798	547980742	/nfs/dbraw/zinc/98/07/42/547980742.db2.gz	FBVRDBCBKTVCTD-CQSZACIVSA-N	1	1	351.472	2.110	20	30		FEEDMO
N#CCSCCC[NH+]1CCN(c2nnc(C(F)(F)F)s2)CC1	ZINC000186761373	548187736	/nfs/dbraw/zinc/18/77/36/548187736.db2.gz	SFQQFKIREKCCQZ-UHFFFAOYSA-N	1	1	351.423	2.326	20	30		FEEDMO
C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000186765854	548188765	/nfs/dbraw/zinc/18/87/65/548188765.db2.gz	SKCZUUOCDFCLHW-LBPRGKRZSA-N	1	1	357.426	2.379	20	30		FEEDMO
C=C(C)[C@@H]([NH2+]CC(=O)NC(=O)N[C@@H](C)COC)c1ccc(F)c(F)c1	ZINC000187758483	548262973	/nfs/dbraw/zinc/26/29/73/548262973.db2.gz	YOMUGIQMWHNJGX-MEDUHNTESA-N	1	1	355.385	2.032	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1	ZINC000188701391	548285426	/nfs/dbraw/zinc/28/54/26/548285426.db2.gz	SPJLYTHQYCPPRU-MRXNPFEDSA-N	1	1	361.486	2.238	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC2(O)CCOCC2)c1	ZINC000189780602	548310797	/nfs/dbraw/zinc/31/07/97/548310797.db2.gz	RJNZEESCVBCODM-GOSISDBHSA-N	1	1	373.497	2.412	20	30		FEEDMO
N#Cc1ccc(CC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1	ZINC000194873849	548543678	/nfs/dbraw/zinc/54/36/78/548543678.db2.gz	RIYMBCOOMBURFM-UHFFFAOYSA-N	1	1	369.387	2.214	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN2CC[N@@H+](C)[C@H](C(C)C)C2)c(OC)c1	ZINC000487995896	561380786	/nfs/dbraw/zinc/38/07/86/561380786.db2.gz	BFIVFGZIPXPCLE-MOPGFXCFSA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCN(C)[C@H](C(C)C)C2)c(OC)c1	ZINC000487995896	561380787	/nfs/dbraw/zinc/38/07/87/561380787.db2.gz	BFIVFGZIPXPCLE-MOPGFXCFSA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCN(C)[C@H](C(C)C)C2)c(OC)c1	ZINC000487995896	561380788	/nfs/dbraw/zinc/38/07/88/561380788.db2.gz	BFIVFGZIPXPCLE-MOPGFXCFSA-N	1	1	362.514	2.435	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1Cl	ZINC000246786819	549211779	/nfs/dbraw/zinc/21/17/79/549211779.db2.gz	CPSROHDCZKFKLR-IAGOWNOFSA-N	1	1	363.845	2.420	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1cccc(F)c1	ZINC000489063770	561402505	/nfs/dbraw/zinc/40/25/05/561402505.db2.gz	AEBMUECENMLOBQ-QGZVFWFLSA-N	1	1	365.405	2.418	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1cccc(F)c1	ZINC000489063767	561402534	/nfs/dbraw/zinc/40/25/34/561402534.db2.gz	AEBMUECENMLOBQ-KRWDZBQOSA-N	1	1	365.405	2.418	20	30		FEEDMO
C=CCCCS(=O)(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000489112223	561403692	/nfs/dbraw/zinc/40/36/92/561403692.db2.gz	BNTPYORCBCEEMK-UHFFFAOYSA-N	1	1	365.543	2.393	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000247595682	549365035	/nfs/dbraw/zinc/36/50/35/549365035.db2.gz	OFPYSFZMIWSOCN-QZTJIDSGSA-N	1	1	370.497	2.397	20	30		FEEDMO
C[C@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)[N@H+]1CCC[C@H](C)C1	ZINC000248393383	549427149	/nfs/dbraw/zinc/42/71/49/549427149.db2.gz	LPXCNJZAQVVRME-LSDHHAIUSA-N	1	1	367.457	2.381	20	30		FEEDMO
COCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCO[C@@H]1C	ZINC000489397509	561410011	/nfs/dbraw/zinc/41/00/11/561410011.db2.gz	FCZASOWVSVLNFJ-WBMJQRKESA-N	1	1	351.834	2.276	20	30		FEEDMO
COCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCO[C@@H]1C	ZINC000489397509	561410012	/nfs/dbraw/zinc/41/00/12/561410012.db2.gz	FCZASOWVSVLNFJ-WBMJQRKESA-N	1	1	351.834	2.276	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000248605462	549466799	/nfs/dbraw/zinc/46/67/99/549466799.db2.gz	WBZQTVLMIWNLRC-ATZDWAIDSA-N	1	1	359.470	2.209	20	30		FEEDMO
CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248716661	549489518	/nfs/dbraw/zinc/48/95/18/549489518.db2.gz	FDJALVCRJDHJNS-OALUTQOASA-N	1	1	368.481	2.386	20	30		FEEDMO
CCN(CC)C(=O)[C@@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248716661	549489521	/nfs/dbraw/zinc/48/95/21/549489521.db2.gz	FDJALVCRJDHJNS-OALUTQOASA-N	1	1	368.481	2.386	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000249288118	549577026	/nfs/dbraw/zinc/57/70/26/549577026.db2.gz	LYELFEBJBUJBBO-LPHOPBHVSA-N	1	1	358.486	2.223	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C(N)=O)C1	ZINC000249527858	549600829	/nfs/dbraw/zinc/60/08/29/549600829.db2.gz	AILITEJTJFVCRL-SMDDNHRTSA-N	1	1	360.483	2.023	20	30		FEEDMO
COCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCOC1	ZINC000490057824	561425476	/nfs/dbraw/zinc/42/54/76/561425476.db2.gz	UCSGWQAGWKDZMS-OAHLLOKOSA-N	1	1	351.834	2.278	20	30		FEEDMO
C=CCOc1ccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1OC	ZINC000261982898	549777123	/nfs/dbraw/zinc/77/71/23/549777123.db2.gz	JKRAPBBEKGGXIT-QGZVFWFLSA-N	1	1	361.486	2.080	20	30		FEEDMO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1CCN(Cc2ccccn2)CC1	ZINC000262389645	549816072	/nfs/dbraw/zinc/81/60/72/549816072.db2.gz	LYKFUTNQJYBULR-IPMKNSEASA-N	1	1	371.529	2.025	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000263712136	549924030	/nfs/dbraw/zinc/92/40/30/549924030.db2.gz	KKRBDTQLSWXEQU-CVEARBPZSA-N	1	1	356.470	2.369	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000263712136	549924033	/nfs/dbraw/zinc/92/40/33/549924033.db2.gz	KKRBDTQLSWXEQU-CVEARBPZSA-N	1	1	356.470	2.369	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000263712139	549924071	/nfs/dbraw/zinc/92/40/71/549924071.db2.gz	KKRBDTQLSWXEQU-HOTGVXAUSA-N	1	1	356.470	2.369	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000263712139	549924073	/nfs/dbraw/zinc/92/40/73/549924073.db2.gz	KKRBDTQLSWXEQU-HOTGVXAUSA-N	1	1	356.470	2.369	20	30		FEEDMO
N#Cc1ccccc1CSCCNC(=O)NCC[NH+]1CCSCC1	ZINC000490869972	561439498	/nfs/dbraw/zinc/43/94/98/561439498.db2.gz	LLHMOFIKFSKJTO-UHFFFAOYSA-N	1	1	364.540	2.139	20	30		FEEDMO
COc1ccc(C[NH2+]C[C@@H](C)CN2CCN(C)CC2)cc1OCCCC#N	ZINC000264382689	549995529	/nfs/dbraw/zinc/99/55/29/549995529.db2.gz	PMGPMTVPDBTHRF-GOSISDBHSA-N	1	1	374.529	2.351	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCO[C@@H](C#N)C1	ZINC000264439342	549996065	/nfs/dbraw/zinc/99/60/65/549996065.db2.gz	ZFQIPRRDPHDOPP-LPHOPBHVSA-N	1	1	356.470	2.495	20	30		FEEDMO
C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CCN(C(=O)c2ccccc2)CC1	ZINC000264914571	550003354	/nfs/dbraw/zinc/00/33/54/550003354.db2.gz	GFMSGXVBYDDPPW-OAQYLSRUSA-N	1	1	368.481	2.031	20	30		FEEDMO
COC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000264973046	550004430	/nfs/dbraw/zinc/00/44/30/550004430.db2.gz	GLZHZBNWBNROCR-LSDHHAIUSA-N	1	1	361.442	2.071	20	30		FEEDMO
C=C(Cl)CNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000265626504	550012744	/nfs/dbraw/zinc/01/27/44/550012744.db2.gz	GCCFEEQSUYGXRG-KBPBESRZSA-N	1	1	365.861	2.103	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1	ZINC000265670320	550013199	/nfs/dbraw/zinc/01/31/99/550013199.db2.gz	XCJFXISGIUVSLF-UHFFFAOYSA-N	1	1	362.437	2.308	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1	ZINC000265670320	550013202	/nfs/dbraw/zinc/01/32/02/550013202.db2.gz	XCJFXISGIUVSLF-UHFFFAOYSA-N	1	1	362.437	2.308	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000269103176	550155003	/nfs/dbraw/zinc/15/50/03/550155003.db2.gz	AKVBBIBNBCDSBW-XJKSGUPXSA-N	1	1	353.875	2.316	20	30		FEEDMO
COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(C#N)ccc1Br	ZINC000492722630	561452531	/nfs/dbraw/zinc/45/25/31/561452531.db2.gz	NTOIPOUXJZJBCK-OAHLLOKOSA-N	1	1	355.232	2.379	20	30		FEEDMO
COC(=O)C[C@]1([NH2+]Cc2cc(C#N)ccc2Br)CCOC1	ZINC000492869014	561453143	/nfs/dbraw/zinc/45/31/43/561453143.db2.gz	DVGCMDYGMHDYCB-OAHLLOKOSA-N	1	1	353.216	2.133	20	30		FEEDMO
N#CCc1ccc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1	ZINC000270316496	550261243	/nfs/dbraw/zinc/26/12/43/550261243.db2.gz	WVRVIKKQCLPGSN-UHFFFAOYSA-N	1	1	369.387	2.479	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(O)(COC)CC1	ZINC000270355891	550264914	/nfs/dbraw/zinc/26/49/14/550264914.db2.gz	IZKBHBRUGPBXOZ-HNNXBMFYSA-N	1	1	352.500	2.125	20	30		FEEDMO
C[C@@H](CO)CCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000270532393	550281170	/nfs/dbraw/zinc/28/11/70/550281170.db2.gz	ONNYFIMNGBKCML-QGZVFWFLSA-N	1	1	358.486	2.184	20	30		FEEDMO
CC(C)N1CC[NH+](C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1	ZINC000270849878	550313919	/nfs/dbraw/zinc/31/39/19/550313919.db2.gz	GNLGPDDONFHZLC-UHFFFAOYSA-N	1	1	354.498	2.383	20	30		FEEDMO
C[N@H+]1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C(C)(C)C1	ZINC000270882247	550317246	/nfs/dbraw/zinc/31/72/46/550317246.db2.gz	FOKZJQVKYRUQIR-UHFFFAOYSA-N	1	1	356.470	2.266	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000270899103	550318753	/nfs/dbraw/zinc/31/87/53/550318753.db2.gz	MHLACTULTYEPOU-JKSUJKDBSA-N	1	1	361.511	2.348	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000270899103	550318755	/nfs/dbraw/zinc/31/87/55/550318755.db2.gz	MHLACTULTYEPOU-JKSUJKDBSA-N	1	1	361.511	2.348	20	30		FEEDMO
Cc1cc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)nn1CCC#N	ZINC000271079068	550338372	/nfs/dbraw/zinc/33/83/72/550338372.db2.gz	QUGJZTDPQKHQEL-SFHVURJKSA-N	1	1	367.453	2.335	20	30		FEEDMO
Cc1cc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nn1CCC#N	ZINC000271079068	550338373	/nfs/dbraw/zinc/33/83/73/550338373.db2.gz	QUGJZTDPQKHQEL-SFHVURJKSA-N	1	1	367.453	2.335	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1	ZINC000272013877	550416315	/nfs/dbraw/zinc/41/63/15/550416315.db2.gz	LBBPEMOZHXWINU-KRWDZBQOSA-N	1	1	371.481	2.220	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000272442517	550448658	/nfs/dbraw/zinc/44/86/58/550448658.db2.gz	ANPWOIZSOWSHIS-HNSVSWJLSA-N	1	1	370.453	2.047	20	30		FEEDMO
CCN(C[C@@H]1COc2ccccc2O1)C(=O)C[NH+]1CCC(C)(C#N)CC1	ZINC000272572624	550458578	/nfs/dbraw/zinc/45/85/78/550458578.db2.gz	NGWQBKBJXPSHNC-MRXNPFEDSA-N	1	1	357.454	2.301	20	30		FEEDMO
COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	ZINC000272644704	550462673	/nfs/dbraw/zinc/46/26/73/550462673.db2.gz	FEUFISSWGPWWKD-GJZGRUSLSA-N	1	1	374.441	2.079	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC(C)(C#N)CC1	ZINC000272648206	550462956	/nfs/dbraw/zinc/46/29/56/550462956.db2.gz	YTTCFWJOBJTSBA-INIZCTEOSA-N	1	1	356.470	2.476	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1	ZINC000272722834	550466713	/nfs/dbraw/zinc/46/67/13/550466713.db2.gz	JJGMMUPIIOSBFN-UHFFFAOYSA-N	1	1	355.417	2.132	20	30		FEEDMO
C[C@@H](C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl)N1CC[NH+](C)CC1	ZINC000273544634	550502539	/nfs/dbraw/zinc/50/25/39/550502539.db2.gz	UKTWDSLCXMOITB-SMDDNHRTSA-N	1	1	355.269	2.310	20	30		FEEDMO
C=CCOCCCc1nc(-c2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)no1	ZINC000273795992	550511669	/nfs/dbraw/zinc/51/16/69/550511669.db2.gz	HEXKIWUUHAHYGK-QGZVFWFLSA-N	1	1	370.453	2.322	20	30		FEEDMO
C=CCOCCCc1nc(-c2ccccc2C[N@@H+]2CCC[C@@H]2C(N)=O)no1	ZINC000273795992	550511670	/nfs/dbraw/zinc/51/16/70/550511670.db2.gz	HEXKIWUUHAHYGK-QGZVFWFLSA-N	1	1	370.453	2.322	20	30		FEEDMO
C=CCOCCCc1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1	ZINC000273803494	550511739	/nfs/dbraw/zinc/51/17/39/550511739.db2.gz	HXGQQJYGJKAITO-UHFFFAOYSA-N	1	1	357.458	2.409	20	30		FEEDMO
CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@H](O)COc1ccccc1	ZINC000277843147	550720543	/nfs/dbraw/zinc/72/05/43/550720543.db2.gz	SDBLRDRTJWLZGT-PXNSSMCTSA-N	1	1	361.486	2.191	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1	ZINC000278143580	550754210	/nfs/dbraw/zinc/75/42/10/550754210.db2.gz	GIULUKCLDVQBAK-UHFFFAOYSA-N	1	1	363.417	2.380	20	30		FEEDMO
C#CCC(CC#C)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000278356060	550776396	/nfs/dbraw/zinc/77/63/96/550776396.db2.gz	LFEIMNJJCQVOHV-GOSISDBHSA-N	1	1	354.450	2.057	20	30		FEEDMO
C#CCC(CC#C)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000278356060	550776397	/nfs/dbraw/zinc/77/63/97/550776397.db2.gz	LFEIMNJJCQVOHV-GOSISDBHSA-N	1	1	354.450	2.057	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CNc2cccc(C#N)c2)C[C@H](C)O1	ZINC000495079431	561481990	/nfs/dbraw/zinc/48/19/90/561481990.db2.gz	OJWBXZXBSUEUNV-JTDSTZFVSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)CNc2cccc(C#N)c2)C[C@H](C)O1	ZINC000495079431	561481991	/nfs/dbraw/zinc/48/19/91/561481991.db2.gz	OJWBXZXBSUEUNV-JTDSTZFVSA-N	1	1	356.470	2.070	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](Cc2cnn(CCC)c2)CC1	ZINC000278798580	550823057	/nfs/dbraw/zinc/82/30/57/550823057.db2.gz	NKSLUSDQTMORPW-RTBURBONSA-N	1	1	360.502	2.309	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[N@H+](Cc2cnn(CCC)c2)CC1	ZINC000278798580	550823059	/nfs/dbraw/zinc/82/30/59/550823059.db2.gz	NKSLUSDQTMORPW-RTBURBONSA-N	1	1	360.502	2.309	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000278841302	550827988	/nfs/dbraw/zinc/82/79/88/550827988.db2.gz	RMWNSCSNIZVEMA-XUVXKRRUSA-N	1	1	358.482	2.375	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000278990375	550843986	/nfs/dbraw/zinc/84/39/86/550843986.db2.gz	BGJAYEKBCCVETF-INIZCTEOSA-N	1	1	353.426	2.244	20	30		FEEDMO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000279437558	550890139	/nfs/dbraw/zinc/89/01/39/550890139.db2.gz	OSBADGUZPMYPRO-INIZCTEOSA-N	1	1	371.485	2.186	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000279769118	550927020	/nfs/dbraw/zinc/92/70/20/550927020.db2.gz	SMEAKOPLVJXEKJ-MDZRGWNJSA-N	1	1	368.481	2.245	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)N(C)CC[N@@H+]2CCOC(C)(C)C2)c(C#N)c1C	ZINC000279779176	550928238	/nfs/dbraw/zinc/92/82/38/550928238.db2.gz	UDWQRWFJSXSPDD-AWEZNQCLSA-N	1	1	362.474	2.138	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)N(C)CC[N@H+]2CCOC(C)(C)C2)c(C#N)c1C	ZINC000279779176	550928240	/nfs/dbraw/zinc/92/82/40/550928240.db2.gz	UDWQRWFJSXSPDD-AWEZNQCLSA-N	1	1	362.474	2.138	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)nc1	ZINC000280393364	550988759	/nfs/dbraw/zinc/98/87/59/550988759.db2.gz	HTAQVGGXFILMTL-BGYRXZFFSA-N	1	1	360.461	2.013	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC=CCC1	ZINC000280522193	551003632	/nfs/dbraw/zinc/00/36/32/551003632.db2.gz	SVYBAVZFHRMHGD-UHFFFAOYSA-N	1	1	358.467	2.009	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC=CCC1	ZINC000280522193	551003634	/nfs/dbraw/zinc/00/36/34/551003634.db2.gz	SVYBAVZFHRMHGD-UHFFFAOYSA-N	1	1	358.467	2.009	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](CC(N)=O)c1ccccc1	ZINC000280648745	551017308	/nfs/dbraw/zinc/01/73/08/551017308.db2.gz	YWUURIPONSKNSI-QGZVFWFLSA-N	1	1	353.422	2.494	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000281162834	551069631	/nfs/dbraw/zinc/06/96/31/551069631.db2.gz	ZVFNKKJGEJZBOC-IHPCNDPISA-N	1	1	373.497	2.034	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1=O	ZINC000281197541	551073070	/nfs/dbraw/zinc/07/30/70/551073070.db2.gz	CDIQMEVWKUJMNT-WBAXXEDZSA-N	1	1	366.889	2.497	20	30		FEEDMO
CCOC(=O)[C@@]1(COC)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000281362308	551088378	/nfs/dbraw/zinc/08/83/78/551088378.db2.gz	LHIBUSAEJTVMDZ-FQEVSTJZSA-N	1	1	373.453	2.179	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)C1=O	ZINC000281427148	551095981	/nfs/dbraw/zinc/09/59/81/551095981.db2.gz	ZJGHBPNNFHRYBF-INIZCTEOSA-N	1	1	358.438	2.229	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)C1=O	ZINC000281427148	551095983	/nfs/dbraw/zinc/09/59/83/551095983.db2.gz	ZJGHBPNNFHRYBF-INIZCTEOSA-N	1	1	358.438	2.229	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)C1=O	ZINC000281476065	551102327	/nfs/dbraw/zinc/10/23/27/551102327.db2.gz	WGJCTMVSYUPWNI-LJQANCHMSA-N	1	1	367.449	2.428	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)C1=O	ZINC000281476065	551102329	/nfs/dbraw/zinc/10/23/29/551102329.db2.gz	WGJCTMVSYUPWNI-LJQANCHMSA-N	1	1	367.449	2.428	20	30		FEEDMO
N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c2ccccc21	ZINC000281496243	551105248	/nfs/dbraw/zinc/10/52/48/551105248.db2.gz	XTDVJIMVBVONTK-PBHICJAKSA-N	1	1	366.421	2.168	20	30		FEEDMO
N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c2ccccc21	ZINC000281496243	551105250	/nfs/dbraw/zinc/10/52/50/551105250.db2.gz	XTDVJIMVBVONTK-PBHICJAKSA-N	1	1	366.421	2.168	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH+]1CCC(N2CCc3ccccc32)CC1)C1CC1	ZINC000281998792	551167714	/nfs/dbraw/zinc/16/77/14/551167714.db2.gz	ISDMZRVMMTVRAA-OAQYLSRUSA-N	1	1	352.482	2.322	20	30		FEEDMO
CC[N@H+](CCOCCO)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000282110207	551181582	/nfs/dbraw/zinc/18/15/82/551181582.db2.gz	PZBJELFSVWHVIJ-UHFFFAOYSA-N	1	1	367.877	2.226	20	30		FEEDMO
CC[N@@H+](CCOCCO)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000282110207	551181584	/nfs/dbraw/zinc/18/15/84/551181584.db2.gz	PZBJELFSVWHVIJ-UHFFFAOYSA-N	1	1	367.877	2.226	20	30		FEEDMO
C[N@@H+](CCOCCO)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000282316949	551211015	/nfs/dbraw/zinc/21/10/15/551211015.db2.gz	HJUGOORGKGZCGM-UHFFFAOYSA-N	1	1	365.499	2.158	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)[C@@H]2C1	ZINC000282349330	551215202	/nfs/dbraw/zinc/21/52/02/551215202.db2.gz	PEULDMKIRVZPTR-XHDPSFHLSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1)C1CC1	ZINC000282518657	551240922	/nfs/dbraw/zinc/24/09/22/551240922.db2.gz	PHBJFTSHXBVEPX-NRFANRHFSA-N	1	1	370.472	2.461	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1)C1CC1	ZINC000282518659	551241009	/nfs/dbraw/zinc/24/10/09/551241009.db2.gz	PHBJFTSHXBVEPX-OAQYLSRUSA-N	1	1	370.472	2.461	20	30		FEEDMO
COc1nccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000282571604	551247656	/nfs/dbraw/zinc/24/76/56/551247656.db2.gz	FKGWWOJMJASAFU-UHFFFAOYSA-N	1	1	366.425	2.097	20	30		FEEDMO
COc1nccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000282571604	551247657	/nfs/dbraw/zinc/24/76/57/551247657.db2.gz	FKGWWOJMJASAFU-UHFFFAOYSA-N	1	1	366.425	2.097	20	30		FEEDMO
N#Cc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)cc(N)c1[N+](=O)[O-]	ZINC000283540965	551384397	/nfs/dbraw/zinc/38/43/97/551384397.db2.gz	LVQMDGADOUIQQJ-UHFFFAOYSA-N	1	1	367.409	2.493	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccc(C#N)cc1	ZINC000283905919	551447287	/nfs/dbraw/zinc/44/72/87/551447287.db2.gz	IGMVGIXISROSGC-MRXNPFEDSA-N	1	1	368.481	2.212	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000498017868	561513978	/nfs/dbraw/zinc/51/39/78/561513978.db2.gz	JMISGONPVKWFDR-UXHICEINSA-N	1	1	354.498	2.487	20	30		FEEDMO
Cc1onc(CC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)c1C#N	ZINC000498513621	561526463	/nfs/dbraw/zinc/52/64/63/561526463.db2.gz	AUSYZDXJTLTMDD-UHFFFAOYSA-N	1	1	374.391	2.456	20	30		FEEDMO
COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O	ZINC000284942588	551672874	/nfs/dbraw/zinc/67/28/74/551672874.db2.gz	VUVJSCKNYAFZOR-FTEYMNFISA-N	1	1	358.438	2.024	20	30		FEEDMO
COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O	ZINC000284942588	551672875	/nfs/dbraw/zinc/67/28/75/551672875.db2.gz	VUVJSCKNYAFZOR-FTEYMNFISA-N	1	1	358.438	2.024	20	30		FEEDMO
Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CC(C)(C#N)C2)cn1	ZINC000285206848	551720533	/nfs/dbraw/zinc/72/05/33/551720533.db2.gz	JCGZRFQPQPUDLZ-MOPGFXCFSA-N	1	1	363.465	2.008	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(F)cc1C#N	ZINC000285484940	551763770	/nfs/dbraw/zinc/76/37/70/551763770.db2.gz	OZFHXVZNGRWPIA-UHFFFAOYSA-N	1	1	365.430	2.433	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1	ZINC000498913563	561537706	/nfs/dbraw/zinc/53/77/06/561537706.db2.gz	AFRBAQNFTICGJY-MUKKUYKPSA-N	1	1	358.490	2.304	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1	ZINC000498913563	561537707	/nfs/dbraw/zinc/53/77/07/561537707.db2.gz	AFRBAQNFTICGJY-MUKKUYKPSA-N	1	1	358.490	2.304	20	30		FEEDMO
CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCC[N@@H+](C)C1	ZINC000285570019	551776190	/nfs/dbraw/zinc/77/61/90/551776190.db2.gz	HPXVVSCBMOQKMI-KRWDZBQOSA-N	1	1	358.461	2.466	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1	ZINC000285751163	551805085	/nfs/dbraw/zinc/80/50/85/551805085.db2.gz	YVWUWVWYURYWKT-INIZCTEOSA-N	1	1	374.504	2.365	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1F	ZINC000285875884	551822227	/nfs/dbraw/zinc/82/22/27/551822227.db2.gz	WFOPZXWGQNGXSQ-QUCCMNQESA-N	1	1	367.424	2.310	20	30		FEEDMO
CC(C)[N@H+]1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000286229769	551863456	/nfs/dbraw/zinc/86/34/56/551863456.db2.gz	UCJBLFYWKQQDOX-KRWDZBQOSA-N	1	1	358.461	2.466	20	30		FEEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1	ZINC000286288981	551870179	/nfs/dbraw/zinc/87/01/79/551870179.db2.gz	HMLHIHIYYXHYDA-UHFFFAOYSA-N	1	1	368.481	2.063	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1	ZINC000286887855	551936804	/nfs/dbraw/zinc/93/68/04/551936804.db2.gz	DSBZEXFLQYWEHH-CTNGQTDRSA-N	1	1	370.541	2.194	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)cc1	ZINC000287217905	551977519	/nfs/dbraw/zinc/97/75/19/551977519.db2.gz	VUNMAHLWUWMXTK-SFHVURJKSA-N	1	1	374.529	2.324	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)[C@@H](C)C1	ZINC000287982908	552070710	/nfs/dbraw/zinc/07/07/10/552070710.db2.gz	VUHAUKQLCDDSKZ-AWEZNQCLSA-N	1	1	360.483	2.183	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)[C@@H](C)C1	ZINC000287982908	552070711	/nfs/dbraw/zinc/07/07/11/552070711.db2.gz	VUHAUKQLCDDSKZ-AWEZNQCLSA-N	1	1	360.483	2.183	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000499723326	561557005	/nfs/dbraw/zinc/55/70/05/561557005.db2.gz	OTTSSAFUNSOJHW-QGZVFWFLSA-N	1	1	366.469	2.320	20	30		FEEDMO
C[C@@H]1COCCN1CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000499773905	561558086	/nfs/dbraw/zinc/55/80/86/561558086.db2.gz	PQPOJUKYNPVFRQ-VQIMIIECSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@@H]1COCC[N@@H+]1CCN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000499773905	561558087	/nfs/dbraw/zinc/55/80/87/561558087.db2.gz	PQPOJUKYNPVFRQ-VQIMIIECSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@@H]1COCC[N@H+]1CCN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000499773905	561558088	/nfs/dbraw/zinc/55/80/88/561558088.db2.gz	PQPOJUKYNPVFRQ-VQIMIIECSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccccc1	ZINC000289044277	552257242	/nfs/dbraw/zinc/25/72/42/552257242.db2.gz	CYRBGRDEDRXXIN-OALUTQOASA-N	1	1	355.463	2.423	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1OC	ZINC000289383531	552312029	/nfs/dbraw/zinc/31/20/29/552312029.db2.gz	MSRYILYXMAHAAI-INIZCTEOSA-N	1	1	368.499	2.116	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1OC	ZINC000289383531	552312031	/nfs/dbraw/zinc/31/20/31/552312031.db2.gz	MSRYILYXMAHAAI-INIZCTEOSA-N	1	1	368.499	2.116	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000289532835	552336485	/nfs/dbraw/zinc/33/64/85/552336485.db2.gz	DXGKHCLHNVHLMY-CZUORRHYSA-N	1	1	367.852	2.233	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000289847206	552388416	/nfs/dbraw/zinc/38/84/16/552388416.db2.gz	UOCOXUFEVKOURZ-UHFFFAOYSA-N	1	1	362.522	2.462	20	30		FEEDMO
CN(CCCN(C)C(=O)Nc1cc(C#N)cn1C(C)(C)C)CC[NH+](C)C	ZINC000289847206	552388417	/nfs/dbraw/zinc/38/84/17/552388417.db2.gz	UOCOXUFEVKOURZ-UHFFFAOYSA-N	1	1	362.522	2.462	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@H+]1CCCC[C@H]1C	ZINC000500806197	561583102	/nfs/dbraw/zinc/58/31/02/561583102.db2.gz	FNFWWENIXIFLTH-KGLIPLIRSA-N	1	1	353.463	2.380	20	30		FEEDMO
C=CCOc1ccc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1OC	ZINC000290078878	552424061	/nfs/dbraw/zinc/42/40/61/552424061.db2.gz	JTQILXWUUVVECZ-UHFFFAOYSA-N	1	1	363.502	2.216	20	30		FEEDMO
C=CCOc1ccc(C(=O)N(C)CCCN(C)CC[NH+](C)C)cc1OC	ZINC000290078878	552424062	/nfs/dbraw/zinc/42/40/62/552424062.db2.gz	JTQILXWUUVVECZ-UHFFFAOYSA-N	1	1	363.502	2.216	20	30		FEEDMO
Cc1cc(CNS(=O)(=O)Cc2ccc(C#N)cc2)cc(N2CCCC2)[nH+]1	ZINC000290094493	552426580	/nfs/dbraw/zinc/42/65/80/552426580.db2.gz	ICXJGEVMANEEAT-UHFFFAOYSA-N	1	1	370.478	2.482	20	30		FEEDMO
COc1ccc(C)cc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000290097127	552426892	/nfs/dbraw/zinc/42/68/92/552426892.db2.gz	XJWYBXNOEFLRLG-AWEZNQCLSA-N	1	1	359.451	2.395	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1F	ZINC000290255189	552448900	/nfs/dbraw/zinc/44/89/00/552448900.db2.gz	DIVIXRLHUSTKKC-MRXNPFEDSA-N	1	1	370.384	2.182	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c1	ZINC000500795018	561582614	/nfs/dbraw/zinc/58/26/14/561582614.db2.gz	WUXYTFRYAWBLMJ-UHFFFAOYSA-N	1	1	351.447	2.087	20	30		FEEDMO
C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C	ZINC000290532941	552493838	/nfs/dbraw/zinc/49/38/38/552493838.db2.gz	XJVRAAMVVRKVFH-RHSMWYFYSA-N	1	1	361.417	2.165	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000290859188	552551180	/nfs/dbraw/zinc/55/11/80/552551180.db2.gz	RRXONABOZKOOQJ-UKRRQHHQSA-N	1	1	372.444	2.405	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1	ZINC000292117290	552695499	/nfs/dbraw/zinc/69/54/99/552695499.db2.gz	GHGYSSPWLDCGDY-FQEVSTJZSA-N	1	1	357.454	2.280	20	30		FEEDMO
CN(C(=O)CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000292123724	552696073	/nfs/dbraw/zinc/69/60/73/552696073.db2.gz	IEVJFLKDXXMCCT-GOSISDBHSA-N	1	1	350.422	2.459	20	30		FEEDMO
CN(Cc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292198306	552703570	/nfs/dbraw/zinc/70/35/70/552703570.db2.gz	NOVWPZPKSHSHKX-QGZVFWFLSA-N	1	1	368.412	2.204	20	30		FEEDMO
CN(Cc1ccccc1F)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292198306	552703572	/nfs/dbraw/zinc/70/35/72/552703572.db2.gz	NOVWPZPKSHSHKX-QGZVFWFLSA-N	1	1	368.412	2.204	20	30		FEEDMO
CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292244576	552708225	/nfs/dbraw/zinc/70/82/25/552708225.db2.gz	QLOHFWIZTRYIGS-PKOBYXMFSA-N	1	1	350.422	2.236	20	30		FEEDMO
CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292244576	552708227	/nfs/dbraw/zinc/70/82/27/552708227.db2.gz	QLOHFWIZTRYIGS-PKOBYXMFSA-N	1	1	350.422	2.236	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1sccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000293903302	552866587	/nfs/dbraw/zinc/86/65/87/552866587.db2.gz	WNMCOCTVIUJLLN-JSGCOSHPSA-N	1	1	360.483	2.327	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1	ZINC000293932245	552868936	/nfs/dbraw/zinc/86/89/36/552868936.db2.gz	HYYOKFMNSBPDRN-UHFFFAOYSA-N	1	1	371.462	2.153	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000501728329	561604091	/nfs/dbraw/zinc/60/40/91/561604091.db2.gz	GHAJAFVZUONMTH-HKUYNNGSSA-N	1	1	355.482	2.214	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cccc(C)c1I	ZINC000294036427	552877020	/nfs/dbraw/zinc/87/70/20/552877020.db2.gz	RZBZHGKDGFGWEV-UHFFFAOYSA-N	1	1	370.234	2.285	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+](CCc1ccccn1)Cc1ccc(OC)cc1	ZINC000294154261	552885958	/nfs/dbraw/zinc/88/59/58/552885958.db2.gz	PAYLNGIQSZTQLR-UHFFFAOYSA-N	1	1	351.450	2.274	20	30		FEEDMO
N#Cc1cnc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1	ZINC000295105942	552959449	/nfs/dbraw/zinc/95/94/49/552959449.db2.gz	USJUCGHDMLZWTJ-MRXNPFEDSA-N	1	1	353.382	2.040	20	30		FEEDMO
C[C@@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)CC(C)(C)CC#N)CC1	ZINC000295160341	552964829	/nfs/dbraw/zinc/96/48/29/552964829.db2.gz	NATYPARHPZOZAS-HNNXBMFYSA-N	1	1	364.515	2.466	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)[C@@H](C)C1	ZINC000295270244	552979219	/nfs/dbraw/zinc/97/92/19/552979219.db2.gz	RZDFEJDKHXJOCD-GUYCJALGSA-N	1	1	353.463	2.189	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000296861985	553221992	/nfs/dbraw/zinc/22/19/92/553221992.db2.gz	FJRVEVMUSXXEIH-ALOPSCKCSA-N	1	1	357.454	2.467	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000297642509	553319456	/nfs/dbraw/zinc/31/94/56/553319456.db2.gz	IPBYIPRKNAPVFF-LJQANCHMSA-N	1	1	357.498	2.392	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000297842819	553345842	/nfs/dbraw/zinc/34/58/42/553345842.db2.gz	NXCSYAOFXVXSCI-UHFFFAOYSA-N	1	1	368.481	2.017	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000297842819	553345843	/nfs/dbraw/zinc/34/58/43/553345843.db2.gz	NXCSYAOFXVXSCI-UHFFFAOYSA-N	1	1	368.481	2.017	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc1	ZINC000298746379	553467638	/nfs/dbraw/zinc/46/76/38/553467638.db2.gz	QFHRCULDDRNIMA-UHFFFAOYSA-N	1	1	373.460	2.029	20	30		FEEDMO
C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1	ZINC000302875104	553739002	/nfs/dbraw/zinc/73/90/02/553739002.db2.gz	HYZYVBUTRBSNPP-AEFFLSMTSA-N	1	1	354.406	2.070	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N[C@@H]1CCCN(C2CCCCC2)C1=O	ZINC000328603390	553795387	/nfs/dbraw/zinc/79/53/87/553795387.db2.gz	HRRQEIBUDJYUQA-KZNAEPCWSA-N	1	1	362.518	2.441	20	30		FEEDMO
C[C@H](CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O)[N@H+]1CCC[C@@H](C)C1	ZINC000328680035	553806287	/nfs/dbraw/zinc/80/62/87/553806287.db2.gz	NJBMHEBJEGCZFM-ZHALLVOQSA-N	1	1	372.513	2.412	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC[N@H+]1CCOC	ZINC000328698669	553809193	/nfs/dbraw/zinc/80/91/93/553809193.db2.gz	LVVTZMJLEAMSFN-HZPDHXFCSA-N	1	1	366.506	2.375	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CCCC23CCOCC3)C[C@H]1[NH+]1CCOCC1	ZINC000328714667	553811313	/nfs/dbraw/zinc/81/13/13/553811313.db2.gz	ODNJWGJNAGLJMQ-KZNAEPCWSA-N	1	1	365.518	2.292	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@@H]2CCCC23CCOCC3)CC[N@H+]1CC(C)(C)O	ZINC000328735977	553814678	/nfs/dbraw/zinc/81/46/78/553814678.db2.gz	ZHQREDQMFMZUQA-HZPDHXFCSA-N	1	1	353.507	2.027	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CCC(=O)NC2CCCC2)CC1	ZINC000328755025	553817031	/nfs/dbraw/zinc/81/70/31/553817031.db2.gz	DYXVFRVWMYXXQB-SFHVURJKSA-N	1	1	364.534	2.294	20	30		FEEDMO
O=C(C[N@H+]1CC[C@H](C2CCOCC2)C1)Nc1cc(-n2cnnn2)ccc1F	ZINC000328801338	553824702	/nfs/dbraw/zinc/82/47/02/553824702.db2.gz	ZDFPJJWKKPTCFH-AWEZNQCLSA-N	1	1	374.420	2.138	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC=C(c3ccccc3)C2)CC1	ZINC000328864105	553835057	/nfs/dbraw/zinc/83/50/57/553835057.db2.gz	BJAGOMOLAHSKPI-NRFANRHFSA-N	1	1	366.509	2.468	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC=C(c3ccccc3)C2)CC1	ZINC000328864105	553835059	/nfs/dbraw/zinc/83/50/59/553835059.db2.gz	BJAGOMOLAHSKPI-NRFANRHFSA-N	1	1	366.509	2.468	20	30		FEEDMO
N#C[C@@H]1CC[C@@H]([NH+]2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)C1	ZINC000328873202	553836340	/nfs/dbraw/zinc/83/63/40/553836340.db2.gz	YUDPSIPBEGKCQV-NJDAHSKKSA-N	1	1	366.509	2.487	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)N1CCC[C@@H]1[C@H]1CCCO1)[NH+]1CCOCC1	ZINC000328872167	553836489	/nfs/dbraw/zinc/83/64/89/553836489.db2.gz	IQHOEJYFUYSCPK-KZNAEPCWSA-N	1	1	353.507	2.291	20	30		FEEDMO
COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000328915983	553844447	/nfs/dbraw/zinc/84/44/47/553844447.db2.gz	RCEYDAMIPJTGEW-GDBMZVCRSA-N	1	1	366.483	2.015	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000328915983	553844448	/nfs/dbraw/zinc/84/44/48/553844448.db2.gz	RCEYDAMIPJTGEW-GDBMZVCRSA-N	1	1	366.483	2.015	20	30		FEEDMO
CN1CCO[C@@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]21	ZINC000328927430	553846000	/nfs/dbraw/zinc/84/60/00/553846000.db2.gz	XCRUMAZJIIRKTA-JKSUJKDBSA-N	1	1	374.510	2.491	20	30		FEEDMO
CN(C)[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1cncn1C	ZINC000329081783	553877089	/nfs/dbraw/zinc/87/70/89/553877089.db2.gz	DFNDMAXBZWEETL-QGZVFWFLSA-N	1	1	363.506	2.014	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C	ZINC000329100776	553880692	/nfs/dbraw/zinc/88/06/92/553880692.db2.gz	ZMDAPGXHCZXYJN-ZACQAIPSSA-N	1	1	365.522	2.102	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000329171207	553894311	/nfs/dbraw/zinc/89/43/11/553894311.db2.gz	JYHYJJPTGOHTCZ-DMRKSPOLSA-N	1	1	363.502	2.485	20	30		FEEDMO
C[C@H](C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)[NH+]1CCSCC1	ZINC000329191111	553898712	/nfs/dbraw/zinc/89/87/12/553898712.db2.gz	QIDKBKZAJHBDGX-QBIMZIAESA-N	1	1	374.510	2.280	20	30		FEEDMO
C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C	ZINC000329192793	553899294	/nfs/dbraw/zinc/89/92/94/553899294.db2.gz	SFFYKABYNXPTJI-VYDXJSESSA-N	1	1	366.506	2.373	20	30		FEEDMO
C[C@H](NC(=O)N1CCO[C@H](C(N)=O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000329271779	553914961	/nfs/dbraw/zinc/91/49/61/553914961.db2.gz	IFVURCNVKLXFSY-XIRDDKMYSA-N	1	1	360.458	2.047	20	30		FEEDMO
CC(=O)Nc1ncc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)s1	ZINC000329279006	553916614	/nfs/dbraw/zinc/91/66/14/553916614.db2.gz	MHWBQEQSYBOPPP-LLVKDONJSA-N	1	1	358.489	2.046	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)C1	ZINC000329316246	553923822	/nfs/dbraw/zinc/92/38/22/553923822.db2.gz	QNXNJMKKACNFHZ-HKUYNNGSSA-N	1	1	359.470	2.200	20	30		FEEDMO
COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cn1	ZINC000329361980	553932656	/nfs/dbraw/zinc/93/26/56/553932656.db2.gz	ISQLAJSQKXMDGU-XWTMOSNGSA-N	1	1	362.474	2.190	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)[C@H]2C1	ZINC000329423213	553943633	/nfs/dbraw/zinc/94/36/33/553943633.db2.gz	HSEWDRTZBIOOLE-YJBOKZPZSA-N	1	1	356.470	2.494	20	30		FEEDMO
O=C(NCC[NH+]1CCSCC1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1	ZINC000329461087	553951407	/nfs/dbraw/zinc/95/14/07/553951407.db2.gz	SMDGPDVKAUQAOH-LBPRGKRZSA-N	1	1	369.437	2.323	20	30		FEEDMO
C[C@H]1CSCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1	ZINC000329481162	553955231	/nfs/dbraw/zinc/95/52/31/553955231.db2.gz	PLWIBYRTDURHRN-HLLBOEOZSA-N	1	1	365.547	2.402	20	30		FEEDMO
C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CCCC1	ZINC000329511893	553960058	/nfs/dbraw/zinc/96/00/58/553960058.db2.gz	NHTKNAVOFNTGFC-DOTOQJQBSA-N	1	1	351.491	2.235	20	30		FEEDMO
Cc1ccc(N2CCC[C@H](NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)nn1	ZINC000329528161	553962190	/nfs/dbraw/zinc/96/21/90/553962190.db2.gz	ICFARWUWANUNKH-XNHLSEOASA-N	1	1	372.517	2.225	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCCC2)c2ccsc2S1(=O)=O	ZINC000329574699	553970112	/nfs/dbraw/zinc/97/01/12/553970112.db2.gz	ATOFYIYNYYISPX-JSGCOSHPSA-N	1	1	371.528	2.297	20	30		FEEDMO
Cc1nnc2n1C[C@@H](CNC(=O)N1CC[NH+](CC3CCCCC3)CC1)CC2	ZINC000329651643	553982784	/nfs/dbraw/zinc/98/27/84/553982784.db2.gz	KXHXURWOLVDNEJ-GOSISDBHSA-N	1	1	374.533	2.261	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O	ZINC000329717649	553994753	/nfs/dbraw/zinc/99/47/53/553994753.db2.gz	XUTCVIVGPITOEU-XDNAFOTISA-N	1	1	353.507	2.027	20	30		FEEDMO
Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1	ZINC000329727843	553996054	/nfs/dbraw/zinc/99/60/54/553996054.db2.gz	GZJZJANEPMDBRV-ZNMIVQPWSA-N	1	1	352.442	2.235	20	30		FEEDMO
CC(C)n1nnnc1-c1ccccc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C	ZINC000329728550	553996523	/nfs/dbraw/zinc/99/65/23/553996523.db2.gz	CRBBDJIZNPFVIW-UONOGXRCSA-N	1	1	357.462	2.491	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C[C@H](C)NC(=O)c2ccccc2)C[C@H]1[NH+]1CCOCC1	ZINC000329755989	554000629	/nfs/dbraw/zinc/00/06/29/554000629.db2.gz	YKPBVOJMENGTJY-YQVWRLOYSA-N	1	1	373.497	2.339	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@H](C)O)[C@@H](C)C2)C1	ZINC000329781432	554004980	/nfs/dbraw/zinc/00/49/80/554004980.db2.gz	NHCWJBCNCLOQHZ-PNYFIKQUSA-N	1	1	374.529	2.123	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@H](C)O)[C@@H](C)C2)C1	ZINC000329781432	554004985	/nfs/dbraw/zinc/00/49/85/554004985.db2.gz	NHCWJBCNCLOQHZ-PNYFIKQUSA-N	1	1	374.529	2.123	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)C1	ZINC000329781432	554004995	/nfs/dbraw/zinc/00/49/95/554004995.db2.gz	NHCWJBCNCLOQHZ-PNYFIKQUSA-N	1	1	374.529	2.123	20	30		FEEDMO
C[C@@H]1CC(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[C@@H](C)O1	ZINC000329796545	554007663	/nfs/dbraw/zinc/00/76/63/554007663.db2.gz	DWRMVIKJMIMMNJ-BZUAXINKSA-N	1	1	353.507	2.289	20	30		FEEDMO
O=C(NCCOc1ccc(F)cc1)N1CCCC[C@H]1C[NH+]1CCOCC1	ZINC000329801243	554008680	/nfs/dbraw/zinc/00/86/80/554008680.db2.gz	IYLFYPGLRXYXJT-KRWDZBQOSA-N	1	1	365.449	2.305	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)CC[N@H+]1C	ZINC000329805121	554009160	/nfs/dbraw/zinc/00/91/60/554009160.db2.gz	MSASHVODHRXPCB-NVXWUHKLSA-N	1	1	350.507	2.108	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O	ZINC000329810105	554009819	/nfs/dbraw/zinc/00/98/19/554009819.db2.gz	BHRYAOMPGYDFMW-PITQQHRWSA-N	1	1	362.474	2.131	20	30		FEEDMO
Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2)nn1	ZINC000329816767	554011453	/nfs/dbraw/zinc/01/14/53/554011453.db2.gz	WEGFHXDTJVJOAN-KBXCAEBGSA-N	1	1	372.517	2.082	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCc3c[nH]nc3C2)C[N@H+]1Cc1ccccc1	ZINC000329824143	554013008	/nfs/dbraw/zinc/01/30/08/554013008.db2.gz	HSECMSBCFKRBSM-OLMNPRSZSA-N	1	1	353.470	2.434	20	30		FEEDMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000329847353	554018301	/nfs/dbraw/zinc/01/83/01/554018301.db2.gz	PGVLBKXAWVHRGW-GBESFXJTSA-N	1	1	360.454	2.027	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1	ZINC000329852358	554018719	/nfs/dbraw/zinc/01/87/19/554018719.db2.gz	RJWJEAOVGGYLFD-VXGBXAGGSA-N	1	1	373.436	2.249	20	30		FEEDMO
N#Cc1ncn(CC[NH2+][C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1	ZINC000507271758	561723268	/nfs/dbraw/zinc/72/32/68/561723268.db2.gz	HUGQVBUSZISPSA-SFHVURJKSA-N	1	1	364.384	2.258	20	30		FEEDMO
O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@]2(C1)OCc1ccccc12	ZINC000329919179	554031831	/nfs/dbraw/zinc/03/18/31/554031831.db2.gz	RMMMIYFSXGJDKQ-YWZLYKJASA-N	1	1	352.438	2.491	20	30		FEEDMO
[O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@]2(C1)OCc1ccccc12	ZINC000329919179	554031834	/nfs/dbraw/zinc/03/18/34/554031834.db2.gz	RMMMIYFSXGJDKQ-YWZLYKJASA-N	1	1	352.438	2.491	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)C2)n1	ZINC000329920505	554031883	/nfs/dbraw/zinc/03/18/83/554031883.db2.gz	DZQAFUDGHJJUPB-HKUYNNGSSA-N	1	1	369.513	2.278	20	30		FEEDMO
CC(=O)N[C@H](C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C1CCCC1	ZINC000329932518	554034486	/nfs/dbraw/zinc/03/44/86/554034486.db2.gz	BBFCBMDQHIUFQL-KDOFPFPSSA-N	1	1	351.491	2.233	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCO[C@H]2c2ccc(C)cc2)C1	ZINC000329968485	554041165	/nfs/dbraw/zinc/04/11/65/554041165.db2.gz	WCVSSQVUGWKNIM-OTWHNJEPSA-N	1	1	361.486	2.439	20	30		FEEDMO
O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cn([C@@H]2CCOC2)nn1	ZINC000330035180	554052567	/nfs/dbraw/zinc/05/25/67/554052567.db2.gz	BQSDQHPHSHUHBF-OAHLLOKOSA-N	1	1	373.482	2.425	20	30		FEEDMO
C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@]2(CCCOC2)O1	ZINC000330104092	554065191	/nfs/dbraw/zinc/06/51/91/554065191.db2.gz	HIVNXQUXIAZSEA-BCWVGCMDSA-N	1	1	351.491	2.186	20	30		FEEDMO
C[C@H](CNC(=O)NC[C@@H]1SCCc2ccccc21)C[NH+]1CCOCC1	ZINC000330178982	554079514	/nfs/dbraw/zinc/07/95/14/554079514.db2.gz	FBUIKURHIKKLBP-QAPCUYQASA-N	1	1	363.527	2.489	20	30		FEEDMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCO[C@@H](C2CC2)C1	ZINC000330179990	554079528	/nfs/dbraw/zinc/07/95/28/554079528.db2.gz	NAHMBEIBPXRHQA-QGZVFWFLSA-N	1	1	351.491	2.046	20	30		FEEDMO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cn1	ZINC000330194059	554082603	/nfs/dbraw/zinc/08/26/03/554082603.db2.gz	YYOBXAQKPONXFL-KONPQCLYSA-N	1	1	374.489	2.193	20	30		FEEDMO
C=CCOc1ccccc1C[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1	ZINC000507685371	561738068	/nfs/dbraw/zinc/73/80/68/561738068.db2.gz	SJHYUYUMFZUUFF-UHFFFAOYSA-N	1	1	352.438	2.068	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCOC3(CCC3)C2)C[C@@H](C)O1	ZINC000330212094	554086300	/nfs/dbraw/zinc/08/63/00/554086300.db2.gz	DLDCJJIMYVWYMN-BZUAXINKSA-N	1	1	353.507	2.480	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCOC4(CCOCC4)C3)CC2)c1	ZINC000330215569	554086689	/nfs/dbraw/zinc/08/66/89/554086689.db2.gz	HBSNDVYOOGQOQA-QGZVFWFLSA-N	1	1	374.485	2.154	20	30		FEEDMO
C[C@@H]1CN(c2cccc(F)c2)CCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1	ZINC000330221973	554088160	/nfs/dbraw/zinc/08/81/60/554088160.db2.gz	RKBQCHRLFWRURW-GDBMZVCRSA-N	1	1	357.433	2.462	20	30		FEEDMO
Cc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1N1CCNC1=O	ZINC000330229496	554089453	/nfs/dbraw/zinc/08/94/53/554089453.db2.gz	VXBGVCQNTZVIOQ-INIZCTEOSA-N	1	1	357.458	2.445	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@H](C)c2ncc(C)s2)C[C@H]1[NH+]1CCOCC1	ZINC000330260610	554095472	/nfs/dbraw/zinc/09/54/72/554095472.db2.gz	OKEIUNCIFDQAMF-RBSFLKMASA-N	1	1	352.504	2.469	20	30		FEEDMO
COC(=O)[C@]1(C)C[N@@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)C[C@H]1C	ZINC000330381156	554113886	/nfs/dbraw/zinc/11/38/86/554113886.db2.gz	NAMAWBFOJRFNOE-AUUYWEPGSA-N	1	1	361.442	2.096	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1	ZINC000330482750	554127137	/nfs/dbraw/zinc/12/71/37/554127137.db2.gz	XVFIIZLHHFBUFF-HIFRSBDPSA-N	1	1	353.488	2.139	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@H+]1CCC[C@@H](C)C1	ZINC000330486466	554127757	/nfs/dbraw/zinc/12/77/57/554127757.db2.gz	CRNOYSXDZMFKNC-ZIAGYGMSSA-N	1	1	353.463	2.237	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1F	ZINC000330712902	554162090	/nfs/dbraw/zinc/16/20/90/554162090.db2.gz	WNGUZVYYHRESPJ-RYUDHWBXSA-N	1	1	357.401	2.296	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1F	ZINC000330712902	554162094	/nfs/dbraw/zinc/16/20/94/554162094.db2.gz	WNGUZVYYHRESPJ-RYUDHWBXSA-N	1	1	357.401	2.296	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C(C)(C)NC(=O)c2ccccc2)CC[N@H+]1C[C@@H](C)O	ZINC000330799507	554173008	/nfs/dbraw/zinc/17/30/08/554173008.db2.gz	HCVIKRXBLKQIQA-NVXWUHKLSA-N	1	1	361.486	2.073	20	30		FEEDMO
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C	ZINC000330895581	554184357	/nfs/dbraw/zinc/18/43/57/554184357.db2.gz	SBRQSRONVZTJJA-ZIAGYGMSSA-N	1	1	362.474	2.357	20	30		FEEDMO
CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1	ZINC000331017490	554201411	/nfs/dbraw/zinc/20/14/11/554201411.db2.gz	HSZURUBSPBSZMU-HUUCEWRRSA-N	1	1	362.474	2.276	20	30		FEEDMO
COC(=O)[C@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)C[C@@H]1C	ZINC000331066579	554208538	/nfs/dbraw/zinc/20/85/38/554208538.db2.gz	QXZDAJIYRIYJLW-GJZGRUSLSA-N	1	1	361.442	2.096	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)C[C@@H]1C	ZINC000331066579	554208540	/nfs/dbraw/zinc/20/85/40/554208540.db2.gz	QXZDAJIYRIYJLW-GJZGRUSLSA-N	1	1	361.442	2.096	20	30		FEEDMO
CNC(=O)NC(=O)CC[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21	ZINC000331099638	554212487	/nfs/dbraw/zinc/21/24/87/554212487.db2.gz	ARHQEMZDUVRJIA-IHRRRGAJSA-N	1	1	353.463	2.011	20	30		FEEDMO
Cc1c(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cccc1[N+](=O)[O-]	ZINC000331100958	554213578	/nfs/dbraw/zinc/21/35/78/554213578.db2.gz	ONRDDGSEJFWXRM-ZDUSSCGKSA-N	1	1	364.446	2.094	20	30		FEEDMO
CC(=O)N[C@H](C)C1CC[NH+](CC(=O)NC(=O)Nc2cccc(C)c2C)CC1	ZINC000331146448	554221722	/nfs/dbraw/zinc/22/17/22/554221722.db2.gz	WCNFHCSPYYVXAU-OAHLLOKOSA-N	1	1	374.485	2.202	20	30		FEEDMO
COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)NCCC#N)CC2)c1C	ZINC000331164581	554224195	/nfs/dbraw/zinc/22/41/95/554224195.db2.gz	SNIQCUQTPGZMSR-UHFFFAOYSA-N	1	1	359.474	2.431	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)NCCCCn1cc[nH+]c1C	ZINC000508693599	561769806	/nfs/dbraw/zinc/76/98/06/561769806.db2.gz	DGDCQRYZXJOMLM-UHFFFAOYSA-N	1	1	354.454	2.303	20	30		FEEDMO
C=CCn1c(CCCc2ccccc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1	ZINC000508886588	561776735	/nfs/dbraw/zinc/77/67/35/561776735.db2.gz	CEGRWXYKOIHNDY-IBGZPJMESA-N	1	1	367.497	2.160	20	30		FEEDMO
C=CCn1c(CCCc2ccccc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1	ZINC000508886588	561776736	/nfs/dbraw/zinc/77/67/36/561776736.db2.gz	CEGRWXYKOIHNDY-IBGZPJMESA-N	1	1	367.497	2.160	20	30		FEEDMO
C=CCn1c(-c2ncccc2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1	ZINC000508932541	561778658	/nfs/dbraw/zinc/77/86/58/561778658.db2.gz	UJBLPCKLPGNCIC-UHFFFAOYSA-N	1	1	370.501	2.382	20	30		FEEDMO
C=CCn1c(-c2ncccc2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1	ZINC000508932541	561778659	/nfs/dbraw/zinc/77/86/59/561778659.db2.gz	UJBLPCKLPGNCIC-UHFFFAOYSA-N	1	1	370.501	2.382	20	30		FEEDMO
C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1	ZINC000332012090	554363331	/nfs/dbraw/zinc/36/33/31/554363331.db2.gz	ZXFVSFYLLOELFP-KRWDZBQOSA-N	1	1	354.498	2.318	20	30		FEEDMO
Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)o1	ZINC000332040346	554368747	/nfs/dbraw/zinc/36/87/47/554368747.db2.gz	UMPFXGFQNHBCAJ-ZWKOTPCHSA-N	1	1	358.486	2.417	20	30		FEEDMO
Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)o1	ZINC000332040346	554368750	/nfs/dbraw/zinc/36/87/50/554368750.db2.gz	UMPFXGFQNHBCAJ-ZWKOTPCHSA-N	1	1	358.486	2.417	20	30		FEEDMO
C=CC[C@@H]1[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)CCCC1(C)C	ZINC000332524678	554462924	/nfs/dbraw/zinc/46/29/24/554462924.db2.gz	DLXKXLHLACUILX-KRWDZBQOSA-N	1	1	357.502	2.192	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000610337388	554493609	/nfs/dbraw/zinc/49/36/09/554493609.db2.gz	DVUMHGNCUDSRKS-UHFFFAOYSA-N	1	1	353.382	2.306	20	30		FEEDMO
C[C@@H]1C[C@@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)ccc2C#N)CC[NH+]1C	ZINC000333047618	554564007	/nfs/dbraw/zinc/56/40/07/554564007.db2.gz	KSALMUADTRWUDU-AHCXZYCDSA-N	1	1	356.518	2.742	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)N=c1[nH]n(C)cc1C#N	ZINC000611228305	554617439	/nfs/dbraw/zinc/61/74/39/554617439.db2.gz	KFZARVIBXFUOSS-HUUCEWRRSA-N	1	1	352.442	2.418	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)N=c1[nH]n(C)cc1C#N	ZINC000611228305	554617440	/nfs/dbraw/zinc/61/74/40/554617440.db2.gz	KFZARVIBXFUOSS-HUUCEWRRSA-N	1	1	352.442	2.418	20	30		FEEDMO
Cc1cc(C)c2ncc(C#N)c(N3CCC[C@H](N4CC[NH2+]CC4=O)C3)c2c1	ZINC000333926078	554656781	/nfs/dbraw/zinc/65/67/81/554656781.db2.gz	VDDYWZOLBZAYSP-KRWDZBQOSA-N	1	1	363.465	2.124	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O	ZINC000348512035	554687663	/nfs/dbraw/zinc/68/76/63/554687663.db2.gz	NDDHHQMYUGPATG-JQHSSLGASA-N	1	1	357.454	2.163	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1c[nH+]c(N(C)C)n1C	ZINC000511196073	561860923	/nfs/dbraw/zinc/86/09/23/561860923.db2.gz	BZAWVSIJFDSZKH-KRWDZBQOSA-N	1	1	355.442	2.078	20	30		FEEDMO
COc1cc(C#N)ccc1OCc1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1	ZINC000350348285	554782029	/nfs/dbraw/zinc/78/20/29/554782029.db2.gz	GFGQEWDYZGXMHB-LPHOPBHVSA-N	1	1	370.409	2.455	20	30		FEEDMO
COc1cc(C#N)ccc1OCc1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1	ZINC000350348285	554782032	/nfs/dbraw/zinc/78/20/32/554782032.db2.gz	GFGQEWDYZGXMHB-LPHOPBHVSA-N	1	1	370.409	2.455	20	30		FEEDMO
C[C@@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C[NH+]1CCOCC1	ZINC000362652246	554978008	/nfs/dbraw/zinc/97/80/08/554978008.db2.gz	CMTGKNFTPKWQGF-KRWDZBQOSA-N	1	1	368.481	2.325	20	30		FEEDMO
C=CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1ccon1	ZINC000363127831	555036547	/nfs/dbraw/zinc/03/65/47/555036547.db2.gz	GCQFEQXKAIHHDS-GOSISDBHSA-N	1	1	361.467	2.267	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1	ZINC000363142531	555039205	/nfs/dbraw/zinc/03/92/05/555039205.db2.gz	NJYSIBGBFOIATF-ZWKOTPCHSA-N	1	1	354.454	2.362	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1	ZINC000363142531	555039207	/nfs/dbraw/zinc/03/92/07/555039207.db2.gz	NJYSIBGBFOIATF-ZWKOTPCHSA-N	1	1	354.454	2.362	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1	ZINC000363298087	555073113	/nfs/dbraw/zinc/07/31/13/555073113.db2.gz	ANPLQXFRAPDRFZ-QGZVFWFLSA-N	1	1	358.486	2.465	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CC(=O)N2CCCC2)CC1	ZINC000363328658	555079238	/nfs/dbraw/zinc/07/92/38/555079238.db2.gz	NWMVVAKINNCGKF-KRWDZBQOSA-N	1	1	374.529	2.442	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3[C@H](C(N)=O)C[C@H]4CCCC[C@@H]43)o2)cc1	ZINC000363447046	555107800	/nfs/dbraw/zinc/10/78/00/555107800.db2.gz	ANUNUEAJPJYOIL-PMPSAXMXSA-N	1	1	351.410	2.227	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3[C@H](C(N)=O)C[C@H]4CCCC[C@@H]43)o2)cc1	ZINC000363447046	555107802	/nfs/dbraw/zinc/10/78/02/555107802.db2.gz	ANUNUEAJPJYOIL-PMPSAXMXSA-N	1	1	351.410	2.227	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cnc3ccccc32)C1	ZINC000363510334	555124216	/nfs/dbraw/zinc/12/42/16/555124216.db2.gz	NKOVAQDZEBFIRV-GJZGRUSLSA-N	1	1	355.442	2.074	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)C1	ZINC000363539177	555131523	/nfs/dbraw/zinc/13/15/23/555131523.db2.gz	HEFAPFAKMDIPOZ-IBGZPJMESA-N	1	1	372.538	2.030	20	30		FEEDMO
CC(C)N1CCN([C@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)CC1	ZINC000363853017	555199565	/nfs/dbraw/zinc/19/95/65/555199565.db2.gz	PFQZUFUXZFRROS-FQEVSTJZSA-N	1	1	356.514	2.427	20	30		FEEDMO
CC(C)N1CCN([C@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1	ZINC000363853017	555199567	/nfs/dbraw/zinc/19/95/67/555199567.db2.gz	PFQZUFUXZFRROS-FQEVSTJZSA-N	1	1	356.514	2.427	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000363870691	555203237	/nfs/dbraw/zinc/20/32/37/555203237.db2.gz	WYDBHHZLGWEEMZ-FUHWJXTLSA-N	1	1	352.523	2.242	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000363870691	555203239	/nfs/dbraw/zinc/20/32/39/555203239.db2.gz	WYDBHHZLGWEEMZ-FUHWJXTLSA-N	1	1	352.523	2.242	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[N@H+]([C@H](C)CO)CC1	ZINC000364215955	555271999	/nfs/dbraw/zinc/27/19/99/555271999.db2.gz	QRJZNNSVINARKM-IAGOWNOFSA-N	1	1	365.543	2.040	20	30		FEEDMO
CC(C)(C#N)c1ccccc1CN1CCN(CC[N@H+]2CCCOCC2)CC1	ZINC000364330444	555292378	/nfs/dbraw/zinc/29/23/78/555292378.db2.gz	VOWTXMDHLXGNJF-UHFFFAOYSA-N	1	1	370.541	2.328	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](n2cnc3ccccc32)C1	ZINC000364516171	555327736	/nfs/dbraw/zinc/32/77/36/555327736.db2.gz	ACVVTDDCOMSQBO-QGZVFWFLSA-N	1	1	364.453	2.329	20	30		FEEDMO
CCc1nccc([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)n1	ZINC000364755754	555394180	/nfs/dbraw/zinc/39/41/80/555394180.db2.gz	CISUZCGYOYOLRG-GOSISDBHSA-N	1	1	363.465	2.406	20	30		FEEDMO
CCc1nccc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)n1	ZINC000364755754	555394183	/nfs/dbraw/zinc/39/41/83/555394183.db2.gz	CISUZCGYOYOLRG-GOSISDBHSA-N	1	1	363.465	2.406	20	30		FEEDMO
C=C(CNC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)c1ccccc1	ZINC000512661981	561911554	/nfs/dbraw/zinc/91/15/54/561911554.db2.gz	VHCUREJDXWYAJE-UHFFFAOYSA-N	1	1	372.513	2.286	20	30		FEEDMO
C=C(CNC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1)c1ccccc1	ZINC000512661981	561911555	/nfs/dbraw/zinc/91/15/55/561911555.db2.gz	VHCUREJDXWYAJE-UHFFFAOYSA-N	1	1	372.513	2.286	20	30		FEEDMO
COC(=O)C[C@@](C)([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(F)c1	ZINC000513127374	561926353	/nfs/dbraw/zinc/92/63/53/561926353.db2.gz	HGVYYAYKLYXDRL-MOPGFXCFSA-N	1	1	361.417	2.002	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCOCC2)CCCC1	ZINC000365588084	555616403	/nfs/dbraw/zinc/61/64/03/555616403.db2.gz	GWXFNONPZMQFQW-INIZCTEOSA-N	1	1	357.454	2.087	20	30		FEEDMO
C#CCNC(=O)C1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1	ZINC000365748491	555658585	/nfs/dbraw/zinc/65/85/85/555658585.db2.gz	HQZAICITZBTJKV-HXUWFJFHSA-N	1	1	367.493	2.029	20	30		FEEDMO
COc1ccnc(N2CCC[N@H+](Cc3cc(C#N)ccc3OC)CC2)n1	ZINC000366447433	555847253	/nfs/dbraw/zinc/84/72/53/555847253.db2.gz	GTWYVNBGFYYIGJ-UHFFFAOYSA-N	1	1	353.426	2.078	20	30		FEEDMO
COc1ccnc(N2CCC[N@@H+](Cc3cc(C#N)ccc3OC)CC2)n1	ZINC000366447433	555847256	/nfs/dbraw/zinc/84/72/56/555847256.db2.gz	GTWYVNBGFYYIGJ-UHFFFAOYSA-N	1	1	353.426	2.078	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C	ZINC000366704875	555913612	/nfs/dbraw/zinc/91/36/12/555913612.db2.gz	SZFUNABAOMUMMS-FQBWVUSXSA-N	1	1	365.518	2.156	20	30		FEEDMO
N#CC1(c2ccccn2)CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000367064398	556000752	/nfs/dbraw/zinc/00/07/52/556000752.db2.gz	CWMSHXLIORYYSZ-UHFFFAOYSA-N	1	1	360.417	2.235	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc(S(N)(=O)=O)ccc1C#N	ZINC000367326535	556018885	/nfs/dbraw/zinc/01/88/85/556018885.db2.gz	KPSBTXHNCWAILF-KUHUBIRLSA-N	1	1	370.478	2.138	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1	ZINC000367348407	556024296	/nfs/dbraw/zinc/02/42/96/556024296.db2.gz	OEUZDUVROYNCED-IBGZPJMESA-N	1	1	364.493	2.476	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1	ZINC000367348407	556024298	/nfs/dbraw/zinc/02/42/98/556024298.db2.gz	OEUZDUVROYNCED-IBGZPJMESA-N	1	1	364.493	2.476	20	30		FEEDMO
C=CCN(C(=O)C[C@H]1CCCC(=O)N1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000367953952	556181428	/nfs/dbraw/zinc/18/14/28/556181428.db2.gz	YFNBQTCYQSPMFB-MOPGFXCFSA-N	1	1	355.482	2.334	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1OC	ZINC000368008128	556193756	/nfs/dbraw/zinc/19/37/56/556193756.db2.gz	SMUBVAAIBWZSTQ-DYLGSBMWSA-N	1	1	352.381	2.339	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1	ZINC000368061726	556207986	/nfs/dbraw/zinc/20/79/86/556207986.db2.gz	JBALKUHKKJMFKF-WMZOPIPTSA-N	1	1	374.872	2.004	20	30		FEEDMO
Cc1ccc2ncc(C#N)c(N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)c2c1	ZINC000368147764	556230669	/nfs/dbraw/zinc/23/06/69/556230669.db2.gz	IJYQSDDPTAAOKL-IBGZPJMESA-N	1	1	363.465	2.333	20	30		FEEDMO
C=CCOc1cccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c1	ZINC000368349636	556284813	/nfs/dbraw/zinc/28/48/13/556284813.db2.gz	STYUVKLXASRDBE-MRXNPFEDSA-N	1	1	356.426	2.467	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@]1(C#N)CCc2ccccc2C1	ZINC000368589762	556355929	/nfs/dbraw/zinc/35/59/29/556355929.db2.gz	JJFJXQKQOHNBEM-JOCHJYFZSA-N	1	1	368.525	2.170	20	30		FEEDMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@]1(C#N)CCc2ccccc2C1	ZINC000368589762	556355931	/nfs/dbraw/zinc/35/59/31/556355931.db2.gz	JJFJXQKQOHNBEM-JOCHJYFZSA-N	1	1	368.525	2.170	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1	ZINC000368849699	556428984	/nfs/dbraw/zinc/42/89/84/556428984.db2.gz	DSVPWBSJRCNEQF-QGZVFWFLSA-N	1	1	370.478	2.144	20	30		FEEDMO
CCCN1CC[NH+](C2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1	ZINC000369153969	556518984	/nfs/dbraw/zinc/51/89/84/556518984.db2.gz	FNOHATKUNAJVLE-UHFFFAOYSA-N	1	1	357.458	2.463	20	30		FEEDMO
Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)cn1	ZINC000369284438	556564607	/nfs/dbraw/zinc/56/46/07/556564607.db2.gz	RDKDUYAZOHDDSV-CVEARBPZSA-N	1	1	373.482	2.270	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000369365092	556581178	/nfs/dbraw/zinc/58/11/78/556581178.db2.gz	XSZYWAGSTGYLTM-LJQANCHMSA-N	1	1	372.488	2.139	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000369365092	556581180	/nfs/dbraw/zinc/58/11/80/556581180.db2.gz	XSZYWAGSTGYLTM-LJQANCHMSA-N	1	1	372.488	2.139	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCCN(C(=O)c3ccoc3)CC2)cc1	ZINC000369386006	556586834	/nfs/dbraw/zinc/58/68/34/556586834.db2.gz	NQWYIGAZSVLEAF-UHFFFAOYSA-N	1	1	366.421	2.328	20	30		FEEDMO
CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000369517195	556617772	/nfs/dbraw/zinc/61/77/72/556617772.db2.gz	MAUCZPMZPVAQSY-CTNGQTDRSA-N	1	1	374.529	2.298	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3C#N)C[C@H]2[C@@H]1c1ccccc1	ZINC000369678086	556666341	/nfs/dbraw/zinc/66/63/41/556666341.db2.gz	JLXYCURXVADXBE-GGPKGHCWSA-N	1	1	367.474	2.482	20	30		FEEDMO
CN1C[C@@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CCN2C1=O	ZINC000369689696	556669429	/nfs/dbraw/zinc/66/94/29/556669429.db2.gz	BTDOIUJIKHJXJI-GOSISDBHSA-N	1	1	364.453	2.015	20	30		FEEDMO
CN1C[C@@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CCN2C1=O	ZINC000369689696	556669432	/nfs/dbraw/zinc/66/94/32/556669432.db2.gz	BTDOIUJIKHJXJI-GOSISDBHSA-N	1	1	364.453	2.015	20	30		FEEDMO
C[C@@H](NC(=O)COc1ccc(C#N)cc1)C1([NH+]2CCOCC2)CCCC1	ZINC000369689757	556669571	/nfs/dbraw/zinc/66/95/71/556669571.db2.gz	LVXOPOCXWSBOQE-MRXNPFEDSA-N	1	1	357.454	2.087	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000369803739	556699499	/nfs/dbraw/zinc/69/94/99/556699499.db2.gz	OBAYJNIHCXZWIS-IBGZPJMESA-N	1	1	362.433	2.230	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CN2CCCC2=O)CC1	ZINC000369809764	556701112	/nfs/dbraw/zinc/70/11/12/556701112.db2.gz	FFAHWRHTCVOSNH-INIZCTEOSA-N	1	1	360.502	2.052	20	30		FEEDMO
Cc1cc(S(=O)(=O)N2CCC(Cc3[nH+]ccn3C)CC2)ccc1C#N	ZINC000370120310	556786053	/nfs/dbraw/zinc/78/60/53/556786053.db2.gz	HLYYRFUJDSWXSL-UHFFFAOYSA-N	1	1	358.467	2.244	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1	ZINC000370231797	556817612	/nfs/dbraw/zinc/81/76/12/556817612.db2.gz	FVYIAHAQUAZXCH-DDVIERGOSA-N	1	1	369.469	2.213	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cc1	ZINC000370293578	556831892	/nfs/dbraw/zinc/83/18/92/556831892.db2.gz	HCSMTYJOUZXCRC-UZLBHIALSA-N	1	1	371.481	2.485	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cc1	ZINC000370293578	556831895	/nfs/dbraw/zinc/83/18/95/556831895.db2.gz	HCSMTYJOUZXCRC-UZLBHIALSA-N	1	1	371.481	2.485	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c(C#N)c1C	ZINC000370409120	556864367	/nfs/dbraw/zinc/86/43/67/556864367.db2.gz	BBTVNPUFZRWEAA-YJYMSZOUSA-N	1	1	358.442	2.039	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c(C#N)c1C	ZINC000370409120	556864371	/nfs/dbraw/zinc/86/43/71/556864371.db2.gz	BBTVNPUFZRWEAA-YJYMSZOUSA-N	1	1	358.442	2.039	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000370902846	557009049	/nfs/dbraw/zinc/00/90/49/557009049.db2.gz	CWSZZJATTQGEGE-RBUKOAKNSA-N	1	1	366.465	2.140	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000370902846	557009053	/nfs/dbraw/zinc/00/90/53/557009053.db2.gz	CWSZZJATTQGEGE-RBUKOAKNSA-N	1	1	366.465	2.140	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1	ZINC000371250081	557119619	/nfs/dbraw/zinc/11/96/19/557119619.db2.gz	RXICUJVSNNIARW-OAHLLOKOSA-N	1	1	374.460	2.139	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C2CC2)CC1	ZINC000371470297	557190649	/nfs/dbraw/zinc/19/06/49/557190649.db2.gz	KNYAASKVMBPPIE-IAGOWNOFSA-N	1	1	358.511	2.331	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1	ZINC000518218336	562106579	/nfs/dbraw/zinc/10/65/79/562106579.db2.gz	GZOFOBZQNDSYDB-LJQANCHMSA-N	1	1	357.498	2.186	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000371834375	557306762	/nfs/dbraw/zinc/30/67/62/557306762.db2.gz	JKRURWRPOPLEQK-GFCCVEGCSA-N	1	1	369.450	2.344	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1	ZINC000518972240	562122285	/nfs/dbraw/zinc/12/22/85/562122285.db2.gz	VVHCMVPYQKZKIO-DOTOQJQBSA-N	1	1	361.461	2.235	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1	ZINC000518972243	562122315	/nfs/dbraw/zinc/12/23/15/562122315.db2.gz	VVHCMVPYQKZKIO-WBVHZDCISA-N	1	1	361.461	2.235	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc(OC)c1O	ZINC000372434772	557470139	/nfs/dbraw/zinc/47/01/39/557470139.db2.gz	FDGSSKIWTDCMGI-SFHVURJKSA-N	1	1	374.481	2.343	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc(OC)c1O	ZINC000372434772	557470141	/nfs/dbraw/zinc/47/01/41/557470141.db2.gz	FDGSSKIWTDCMGI-SFHVURJKSA-N	1	1	374.481	2.343	20	30		FEEDMO
CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000372631721	557525981	/nfs/dbraw/zinc/52/59/81/557525981.db2.gz	ZRTFVCXQPXRNEJ-HNNXBMFYSA-N	1	1	365.437	2.255	20	30		FEEDMO
C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(=O)N1c2ccccc2C[C@H]1C	ZINC000519551678	562134633	/nfs/dbraw/zinc/13/46/33/562134633.db2.gz	VCNZEDZGFRWKQV-ZIAGYGMSSA-N	1	1	360.421	2.057	20	30		FEEDMO
N#Cc1ccccc1Cn1cccc1CNC[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000372671969	557534232	/nfs/dbraw/zinc/53/42/32/557534232.db2.gz	FTOYBWKXHLVVQP-SFTDATJTSA-N	1	1	350.466	2.361	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000372968260	557599484	/nfs/dbraw/zinc/59/94/84/557599484.db2.gz	YLXJDJCMKDCBGG-CVEARBPZSA-N	1	1	364.490	2.080	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000372968260	557599486	/nfs/dbraw/zinc/59/94/86/557599486.db2.gz	YLXJDJCMKDCBGG-CVEARBPZSA-N	1	1	364.490	2.080	20	30		FEEDMO
C[C@@H]1C[NH+](CCOC2CCN(Cc3nc(C#N)cs3)CC2)C[C@@H](C)O1	ZINC000519854843	562146644	/nfs/dbraw/zinc/14/66/44/562146644.db2.gz	CFKZHQMGXAQIBK-HUUCEWRRSA-N	1	1	364.515	2.105	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1	ZINC000373156867	557640716	/nfs/dbraw/zinc/64/07/16/557640716.db2.gz	WLULKJTYJVMRCP-MOPGFXCFSA-N	1	1	374.529	2.394	20	30		FEEDMO
C=CCCCCC[N@H+]1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1	ZINC000373292574	557666809	/nfs/dbraw/zinc/66/68/09/557666809.db2.gz	JSIVBTKEUBMHGG-GOSISDBHSA-N	1	1	360.502	2.463	20	30		FEEDMO
Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373402559	557687520	/nfs/dbraw/zinc/68/75/20/557687520.db2.gz	BODWBBVJWJJJBN-HNNXBMFYSA-N	1	1	352.442	2.431	20	30		FEEDMO
Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373402560	557687684	/nfs/dbraw/zinc/68/76/84/557687684.db2.gz	BODWBBVJWJJJBN-OAHLLOKOSA-N	1	1	352.442	2.431	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000373863570	557775687	/nfs/dbraw/zinc/77/56/87/557775687.db2.gz	SDOFAYFROAOASR-HXUWFJFHSA-N	1	1	353.422	2.169	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCCC[C@H](CO)C1	ZINC000374049451	557814055	/nfs/dbraw/zinc/81/40/55/557814055.db2.gz	KAHKHZUHZDUABQ-IRXDYDNUSA-N	1	1	359.470	2.425	20	30		FEEDMO
CN(C)c1ccc(C2=CC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)cc1	ZINC000374327606	557866130	/nfs/dbraw/zinc/86/61/30/557866130.db2.gz	WPNHNXVAZFPGJB-UHFFFAOYSA-N	1	1	351.454	2.108	20	30		FEEDMO
CN(C)c1ccc(C2=CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)cc1	ZINC000374327606	557866132	/nfs/dbraw/zinc/86/61/32/557866132.db2.gz	WPNHNXVAZFPGJB-UHFFFAOYSA-N	1	1	351.454	2.108	20	30		FEEDMO
COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)ccc1C#N	ZINC000374351929	557870002	/nfs/dbraw/zinc/87/00/02/557870002.db2.gz	QKDCLKGZNUSXAQ-GOSISDBHSA-N	1	1	357.454	2.074	20	30		FEEDMO
COc1cc(C[N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)ccc1C#N	ZINC000374351929	557870004	/nfs/dbraw/zinc/87/00/04/557870004.db2.gz	QKDCLKGZNUSXAQ-GOSISDBHSA-N	1	1	357.454	2.074	20	30		FEEDMO
C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)n1ccnc1	ZINC000521051566	562168439	/nfs/dbraw/zinc/16/84/39/562168439.db2.gz	DVFUKWBEKWWZAQ-QGZVFWFLSA-N	1	1	351.454	2.440	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1[C@H](O)c1ccc(OC)cc1	ZINC000374398494	557878897	/nfs/dbraw/zinc/87/88/97/557878897.db2.gz	KCPGYDBTHUHDCP-MOXGXCLJSA-N	1	1	359.470	2.201	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1	ZINC000374588943	557903136	/nfs/dbraw/zinc/90/31/36/557903136.db2.gz	UOZHFLCGDZGOQB-IBGZPJMESA-N	1	1	353.397	2.467	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1	ZINC000374588943	557903137	/nfs/dbraw/zinc/90/31/37/557903137.db2.gz	UOZHFLCGDZGOQB-IBGZPJMESA-N	1	1	353.397	2.467	20	30		FEEDMO
C[C@@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C1=CC[N@@H+](C)CC1	ZINC000374727539	557922073	/nfs/dbraw/zinc/92/20/73/557922073.db2.gz	BQKIYAXKXNUUEA-DNVCBOLYSA-N	1	1	354.454	2.292	20	30		FEEDMO
CCN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375211184	557992514	/nfs/dbraw/zinc/99/25/14/557992514.db2.gz	NUSBFMZHJBCDEW-HXUWFJFHSA-N	1	1	367.497	2.239	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1)C1CC1	ZINC000375349602	558013544	/nfs/dbraw/zinc/01/35/44/558013544.db2.gz	OAACVDRLOAPESA-IBGZPJMESA-N	1	1	362.424	2.285	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1)C1CC1	ZINC000375349602	558013545	/nfs/dbraw/zinc/01/35/45/558013545.db2.gz	OAACVDRLOAPESA-IBGZPJMESA-N	1	1	362.424	2.285	20	30		FEEDMO
C(#CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1)CN1CCC[C@H](c2cc[nH]n2)C1	ZINC000375473796	558033611	/nfs/dbraw/zinc/03/36/11/558033611.db2.gz	OMWDKPVUBJINMF-ROUUACIJSA-N	1	1	352.486	2.195	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C1	ZINC000375694420	558068891	/nfs/dbraw/zinc/06/88/91/558068891.db2.gz	XFJHVKZKBYJBQA-LJQANCHMSA-N	1	1	354.498	2.340	20	30		FEEDMO
C=CCNC(=O)C[NH+]1CCC(c2nc(-c3ccccc3OC)no2)CC1	ZINC000375932669	558101768	/nfs/dbraw/zinc/10/17/68/558101768.db2.gz	OJDISTKCUFAAFR-UHFFFAOYSA-N	1	1	356.426	2.227	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1	ZINC000376837120	558227930	/nfs/dbraw/zinc/22/79/30/558227930.db2.gz	ROAWPSMZMPSBLF-RDJZCZTQSA-N	1	1	358.442	2.141	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)cc1	ZINC000377226382	558293242	/nfs/dbraw/zinc/29/32/42/558293242.db2.gz	VYSLHEQDENWSIH-RBUKOAKNSA-N	1	1	373.497	2.382	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(OC)cc1	ZINC000377310602	558312202	/nfs/dbraw/zinc/31/22/02/558312202.db2.gz	LFYDFQAYJPILIK-WMZOPIPTSA-N	1	1	350.484	2.021	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C[C@H](C#N)CCC#N)CC2)C1	ZINC000377542980	558360815	/nfs/dbraw/zinc/36/08/15/558360815.db2.gz	KWPGYSMPALKVHA-IRXDYDNUSA-N	1	1	361.490	2.057	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1	ZINC000377808968	558424112	/nfs/dbraw/zinc/42/41/12/558424112.db2.gz	JPFWUCCHDHOELD-WDSOQIARSA-N	1	1	354.454	2.215	20	30		FEEDMO
Cc1c[nH+]ccc1N1CCC(C(=O)N=c2[nH]n(C(C)(C)C)cc2C#N)CC1	ZINC000378032220	558466866	/nfs/dbraw/zinc/46/68/66/558466866.db2.gz	AWWWSQCKYOHNSL-UHFFFAOYSA-N	1	1	366.469	3.068	20	30		FEEDMO
CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1	ZINC000378374817	558542828	/nfs/dbraw/zinc/54/28/28/558542828.db2.gz	WPDSDARZKJVIQU-IIBYNOLFSA-N	1	1	360.417	2.490	20	30		FEEDMO
CC(=O)Nc1ccc(C[N@H+]2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1	ZINC000378374817	558542832	/nfs/dbraw/zinc/54/28/32/558542832.db2.gz	WPDSDARZKJVIQU-IIBYNOLFSA-N	1	1	360.417	2.490	20	30		FEEDMO
C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000523467145	562213723	/nfs/dbraw/zinc/21/37/23/562213723.db2.gz	LWJPRFRVOUSIOK-HRCADAONSA-N	1	1	359.470	2.315	20	30		FEEDMO
C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000523467145	562213724	/nfs/dbraw/zinc/21/37/24/562213724.db2.gz	LWJPRFRVOUSIOK-HRCADAONSA-N	1	1	359.470	2.315	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)c1ccccc1	ZINC000523638956	562216392	/nfs/dbraw/zinc/21/63/92/562216392.db2.gz	OWIZUUPQMGLHGR-SFHVURJKSA-N	1	1	368.481	2.268	20	30		FEEDMO
Cc1cc(=NC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)[nH]n1CCC#N	ZINC000378510897	558572547	/nfs/dbraw/zinc/57/25/47/558572547.db2.gz	JGKXZUVUESXTTG-SFHVURJKSA-N	1	1	366.469	2.843	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1cccnc1C#N	ZINC000379707631	558602296	/nfs/dbraw/zinc/60/22/96/558602296.db2.gz	TZPJZPBDWAWHGJ-UHFFFAOYSA-N	1	1	358.467	2.142	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1C#N	ZINC000379708537	558602314	/nfs/dbraw/zinc/60/23/14/558602314.db2.gz	VPCWGCWXWCUDSL-OAHLLOKOSA-N	1	1	372.494	2.451	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)C2)n1	ZINC000408283605	558663795	/nfs/dbraw/zinc/66/37/95/558663795.db2.gz	MNIDUTJTCRWLHS-RTBURBONSA-N	1	1	369.513	2.277	20	30		FEEDMO
CC[N@@H+](CCC1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1)CC(C)C	ZINC000409479168	558695421	/nfs/dbraw/zinc/69/54/21/558695421.db2.gz	WAIPNBVQSPYLLB-QGZVFWFLSA-N	1	1	372.579	2.403	20	30		FEEDMO
CC(C)C1CCC([NH+]2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)CC1	ZINC000409485955	558696314	/nfs/dbraw/zinc/69/63/14/558696314.db2.gz	PVPKUIWNQOTNNC-WWDZGPRUSA-N	1	1	370.563	2.155	20	30		FEEDMO
CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000409507844	558698912	/nfs/dbraw/zinc/69/89/12/558698912.db2.gz	BJCNSUXJONHWML-WMZOPIPTSA-N	1	1	366.531	2.069	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)ccc1C(F)(F)F	ZINC000409584056	558704949	/nfs/dbraw/zinc/70/49/49/558704949.db2.gz	JGTOBZKFHNMVAE-NSHDSACASA-N	1	1	359.373	2.092	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)ccc1C(F)(F)F	ZINC000409584056	558704950	/nfs/dbraw/zinc/70/49/50/558704950.db2.gz	JGTOBZKFHNMVAE-NSHDSACASA-N	1	1	359.373	2.092	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1	ZINC000409584806	558705297	/nfs/dbraw/zinc/70/52/97/558705297.db2.gz	YQTPPKYFUPKXSF-SFHVURJKSA-N	1	1	364.515	2.111	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSc2ccc(C#N)cc2F)C1	ZINC000524727021	562233196	/nfs/dbraw/zinc/23/31/96/562233196.db2.gz	BSNLBTULGDIIEQ-HNNXBMFYSA-N	1	1	365.474	2.262	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H](C)C1	ZINC000410485458	558766661	/nfs/dbraw/zinc/76/66/61/558766661.db2.gz	TVSFLAXWDRIYDH-BBRMVZONSA-N	1	1	364.877	2.473	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cc2C1=O	ZINC000525720238	562253352	/nfs/dbraw/zinc/25/33/52/562253352.db2.gz	DRKYWBVJXHRESN-MQVJKMGUSA-N	1	1	367.449	2.214	20	30		FEEDMO
COC(=O)c1cc(C(C)(C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)no1	ZINC000411741649	558954218	/nfs/dbraw/zinc/95/42/18/558954218.db2.gz	CXQKFFHDWKNDJH-UHFFFAOYSA-N	1	1	356.382	2.186	20	30		FEEDMO
C[N@H+](CCOc1ccc(Br)cc1)CC(=O)NC1(C#N)CCC1	ZINC000525886122	562258570	/nfs/dbraw/zinc/25/85/70/562258570.db2.gz	CXVHULZJCKWKIN-UHFFFAOYSA-N	1	1	366.259	2.322	20	30		FEEDMO
C[N@@H+](CCOc1ccc(Br)cc1)CC(=O)NC1(C#N)CCC1	ZINC000525886122	562258571	/nfs/dbraw/zinc/25/85/71/562258571.db2.gz	CXVHULZJCKWKIN-UHFFFAOYSA-N	1	1	366.259	2.322	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1	ZINC000411933366	558990722	/nfs/dbraw/zinc/99/07/22/558990722.db2.gz	AYUFOJVFWWPODK-HUUCEWRRSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)N(C)C)C1	ZINC000411933366	558990724	/nfs/dbraw/zinc/99/07/24/558990724.db2.gz	AYUFOJVFWWPODK-HUUCEWRRSA-N	1	1	374.510	2.429	20	30		FEEDMO
COC(=O)[C@@]1(C)CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000412067833	559009100	/nfs/dbraw/zinc/00/91/00/559009100.db2.gz	MGOKVSWRAUXYLP-XLIONFOSSA-N	1	1	355.438	2.329	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1	ZINC000412074425	559010284	/nfs/dbraw/zinc/01/02/84/559010284.db2.gz	RAANSCVBXUFFFC-GJZGRUSLSA-N	1	1	367.490	2.221	20	30		FEEDMO
CN1CC[NH+](C[C@H](O)COc2ccc(Oc3ccc(C#N)cc3)cc2)CC1	ZINC000414155590	559151088	/nfs/dbraw/zinc/15/10/88/559151088.db2.gz	VIHNMKVQEHWJRU-SFHVURJKSA-N	1	1	367.449	2.338	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1	ZINC000527048602	562274616	/nfs/dbraw/zinc/27/46/16/562274616.db2.gz	UOZSGTLHJIBEQE-CQSZACIVSA-N	1	1	372.444	2.427	20	30		FEEDMO
C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000416399234	559310055	/nfs/dbraw/zinc/31/00/55/559310055.db2.gz	OGHFTFDQAYFGBS-RISCZKNCSA-N	1	1	361.389	2.111	20	30		FEEDMO
C[C@H](C#N)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000416399234	559310056	/nfs/dbraw/zinc/31/00/56/559310056.db2.gz	OGHFTFDQAYFGBS-RISCZKNCSA-N	1	1	361.389	2.111	20	30		FEEDMO
C=CCN(C(=O)N[C@@H]1CC[N@H+](CC)C1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000416735076	559330546	/nfs/dbraw/zinc/33/05/46/559330546.db2.gz	PVNCRHABAGULOA-DOTOQJQBSA-N	1	1	369.473	2.015	20	30		FEEDMO
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1	ZINC000419603264	559449463	/nfs/dbraw/zinc/44/94/63/559449463.db2.gz	BAZYHEFALVMHJC-IEBWSBKVSA-N	1	1	356.470	2.082	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](CC(F)(F)F)C2)CC1	ZINC000420943269	559513395	/nfs/dbraw/zinc/51/33/95/559513395.db2.gz	ICZXIHTUPAUKNQ-CVEARBPZSA-N	1	1	374.451	2.343	20	30		FEEDMO
CNC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000420969896	559515500	/nfs/dbraw/zinc/51/55/00/559515500.db2.gz	FOVVBGBLWDEMRP-IAGOWNOFSA-N	1	1	356.470	2.007	20	30		FEEDMO
CC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000420975682	559516118	/nfs/dbraw/zinc/51/61/18/559516118.db2.gz	AGUVTNWMARVPPD-CQSZACIVSA-N	1	1	374.510	2.428	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)C[C@H]1CCC[N@H+]1C	ZINC000420993746	559518240	/nfs/dbraw/zinc/51/82/40/559518240.db2.gz	BAJGJCJKGLHVDT-DLBZAZTESA-N	1	1	358.486	2.356	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@@H]3CCC[N@H+]3C)C2)n1	ZINC000421715135	559550696	/nfs/dbraw/zinc/55/06/96/559550696.db2.gz	XBQXIASXWNAOMY-ROUUACIJSA-N	1	1	355.486	2.031	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC	ZINC000422310111	559577667	/nfs/dbraw/zinc/57/76/67/559577667.db2.gz	VMGRELVLBMNRKN-MOPGFXCFSA-N	1	1	357.498	2.281	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1	ZINC000422486441	559591373	/nfs/dbraw/zinc/59/13/73/559591373.db2.gz	GUTRZZYEUCYHFV-GOSISDBHSA-N	1	1	370.497	2.145	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C	ZINC000422533427	559593357	/nfs/dbraw/zinc/59/33/57/559593357.db2.gz	XHHCEIGMUZFZAF-BHIYHBOVSA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CCCn1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000424563101	559669459	/nfs/dbraw/zinc/66/94/59/559669459.db2.gz	NKBBSGCQCVVZDP-UHFFFAOYSA-N	1	1	364.453	2.074	20	30		FEEDMO
C=CCCn1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000424563101	559669460	/nfs/dbraw/zinc/66/94/60/559669460.db2.gz	NKBBSGCQCVVZDP-UHFFFAOYSA-N	1	1	364.453	2.074	20	30		FEEDMO
C=CCC1(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CCOCC1	ZINC000424759828	559675925	/nfs/dbraw/zinc/67/59/25/559675925.db2.gz	WNKSZEUSGVTHJG-RTBURBONSA-N	1	1	358.482	2.111	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)nn1	ZINC000425644142	559712758	/nfs/dbraw/zinc/71/27/58/559712758.db2.gz	LAUXSGOIHFFQAS-MRXNPFEDSA-N	1	1	362.865	2.220	20	30		FEEDMO
CN(C)c1nc(N2CCN(CC#Cc3ccc(Cl)cc3)CC2)cc[nH+]1	ZINC000426460206	559734739	/nfs/dbraw/zinc/73/47/39/559734739.db2.gz	MTIRINWPQVCEGQ-UHFFFAOYSA-N	1	1	355.873	2.370	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000426799928	559742214	/nfs/dbraw/zinc/74/22/14/559742214.db2.gz	JZRSLSUONAWDKR-IMFGXOCKSA-N	1	1	365.518	2.479	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ncc(C#N)cc2Cl)C[C@H](C)O1	ZINC000427898027	559764969	/nfs/dbraw/zinc/76/49/69/559764969.db2.gz	SBUQRKPGHQRTCE-TXEJJXNPSA-N	1	1	350.850	2.224	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ncc(C#N)cc2Cl)C[C@H](C)O1	ZINC000427898027	559764970	/nfs/dbraw/zinc/76/49/70/559764970.db2.gz	SBUQRKPGHQRTCE-TXEJJXNPSA-N	1	1	350.850	2.224	20	30		FEEDMO
N#Cc1cccc(F)c1CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1	ZINC000428547699	559777781	/nfs/dbraw/zinc/77/77/81/559777781.db2.gz	NOQCMOAZZVALAU-KRWDZBQOSA-N	1	1	353.397	2.445	20	30		FEEDMO
COc1c(C)c[nH+]c(Cn2cnc(NCc3ccc(C#N)cc3F)n2)c1C	ZINC000432728228	559863545	/nfs/dbraw/zinc/86/35/45/559863545.db2.gz	MDXLHYPXRHUHON-UHFFFAOYSA-N	1	1	366.400	2.970	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CCCO1	ZINC000432872875	559866751	/nfs/dbraw/zinc/86/67/51/559866751.db2.gz	OOCHJKHGIJHIPZ-AWEZNQCLSA-N	1	1	369.425	2.927	20	30		FEEDMO
C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000433014125	559869874	/nfs/dbraw/zinc/86/98/74/559869874.db2.gz	QXNGAORYIYJABP-NSHDSACASA-N	1	1	372.288	2.035	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000433014125	559869875	/nfs/dbraw/zinc/86/98/75/559869875.db2.gz	QXNGAORYIYJABP-NSHDSACASA-N	1	1	372.288	2.035	20	30		FEEDMO
C=CCN=c1[nH]cc(C(=O)N2CC[NH+](CCc3cccs3)CC2)s1	ZINC000433103585	559871853	/nfs/dbraw/zinc/87/18/53/559871853.db2.gz	UYZRCBOEWCYHMH-UHFFFAOYSA-N	1	1	362.524	2.803	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H](C)O1	ZINC000434706712	559907103	/nfs/dbraw/zinc/90/71/03/559907103.db2.gz	OAQVTQFJDXERSY-GASCZTMLSA-N	1	1	355.442	2.149	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H](C)O1	ZINC000434706712	559907104	/nfs/dbraw/zinc/90/71/04/559907104.db2.gz	OAQVTQFJDXERSY-GASCZTMLSA-N	1	1	355.442	2.149	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H]1C	ZINC000434807343	559909823	/nfs/dbraw/zinc/90/98/23/559909823.db2.gz	DZIFKJAUADNXRI-ZBFHGGJFSA-N	1	1	373.501	2.384	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1	ZINC000437626330	559966923	/nfs/dbraw/zinc/96/69/23/559966923.db2.gz	IRHZEQSFYMTXSA-SQNIBIBYSA-N	1	1	353.507	2.014	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)[N@H+]1CCC[C@@H](C)C1	ZINC000440058333	560003947	/nfs/dbraw/zinc/00/39/47/560003947.db2.gz	CGBCTRIKYWLSJQ-KGLIPLIRSA-N	1	1	353.463	2.237	20	30		FEEDMO
COc1cc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N	ZINC000440817184	560018906	/nfs/dbraw/zinc/01/89/06/560018906.db2.gz	PBLSLGFZTUTCDZ-OAQYLSRUSA-N	1	1	351.450	2.293	20	30		FEEDMO
COc1cc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)ccc1C#N	ZINC000440817184	560018907	/nfs/dbraw/zinc/01/89/07/560018907.db2.gz	PBLSLGFZTUTCDZ-OAQYLSRUSA-N	1	1	351.450	2.293	20	30		FEEDMO
C=CCN(C(=O)NC[C@H]1CCC[N@H+]1C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000441326322	560028725	/nfs/dbraw/zinc/02/87/25/560028725.db2.gz	FADDOBQEZXORQS-CRAIPNDOSA-N	1	1	369.473	2.015	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C	ZINC000442282863	560047779	/nfs/dbraw/zinc/04/77/79/560047779.db2.gz	JPRJSQLPEKCANO-ILXRZTDVSA-N	1	1	374.510	2.428	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C	ZINC000442282863	560047780	/nfs/dbraw/zinc/04/77/80/560047780.db2.gz	JPRJSQLPEKCANO-ILXRZTDVSA-N	1	1	374.510	2.428	20	30		FEEDMO
N#Cc1cc(F)c(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(F)c1	ZINC000446254751	560142835	/nfs/dbraw/zinc/14/28/35/560142835.db2.gz	ZOXABUZGYBDHJG-HXUWFJFHSA-N	1	1	371.387	2.203	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)COc1cccc(Br)c1C#N	ZINC000449171880	560219013	/nfs/dbraw/zinc/21/90/13/560219013.db2.gz	BDKRRINNJDRJPJ-GFCCVEGCSA-N	1	1	366.259	2.300	20	30		FEEDMO
CCOC(=O)[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC12COC2	ZINC000449367536	560227670	/nfs/dbraw/zinc/22/76/70/560227670.db2.gz	WYDHJTSHDMZOKP-GOSISDBHSA-N	1	1	358.438	2.381	20	30		FEEDMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(CC#N)CC1	ZINC000451280193	560297850	/nfs/dbraw/zinc/29/78/50/560297850.db2.gz	GHRVFQSRBMXUDM-GOSISDBHSA-N	1	1	361.511	2.464	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](SC)C1	ZINC000451323634	560300088	/nfs/dbraw/zinc/30/00/88/560300088.db2.gz	VUFAOLYIIKRMBV-OAHLLOKOSA-N	1	1	364.515	2.389	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](SC)C1	ZINC000451323634	560300089	/nfs/dbraw/zinc/30/00/89/560300089.db2.gz	VUFAOLYIIKRMBV-OAHLLOKOSA-N	1	1	364.515	2.389	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(CC#Cc3ccc(F)cc3)C2)CC1	ZINC000451533867	560312878	/nfs/dbraw/zinc/31/28/78/560312878.db2.gz	XBBQMDIEOLDNPP-OAQYLSRUSA-N	1	1	371.500	2.443	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3cc(F)ccc3C#N)C2)CC1	ZINC000451534176	560312961	/nfs/dbraw/zinc/31/29/61/560312961.db2.gz	MVZGNLYKVAKLSV-SFHVURJKSA-N	1	1	372.488	2.464	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc2sc(C(=O)OCC)c(C)c2c(N)n1	ZINC000451607121	560317216	/nfs/dbraw/zinc/31/72/16/560317216.db2.gz	KBUMARDMLBEMDJ-MNOVXSKESA-N	1	1	362.455	2.192	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1C(=O)NCC(F)F	ZINC000451800991	560329478	/nfs/dbraw/zinc/32/94/78/560329478.db2.gz	GNNHYATZZBFWPQ-HNNXBMFYSA-N	1	1	364.396	2.123	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F	ZINC000451800991	560329479	/nfs/dbraw/zinc/32/94/79/560329479.db2.gz	GNNHYATZZBFWPQ-HNNXBMFYSA-N	1	1	364.396	2.123	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1C#N	ZINC000452798151	560374453	/nfs/dbraw/zinc/37/44/53/560374453.db2.gz	OAUIDJFZWTVMHQ-CQSZACIVSA-N	1	1	374.510	2.129	20	30		FEEDMO
C=CCn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1	ZINC000453438651	560386621	/nfs/dbraw/zinc/38/66/21/560386621.db2.gz	KQOROEOKUYCHRQ-IAGOWNOFSA-N	1	1	363.506	2.253	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1	ZINC000453460968	560387293	/nfs/dbraw/zinc/38/72/93/560387293.db2.gz	FHNYGIPSNKXJHY-IRXDYDNUSA-N	1	1	363.506	2.253	20	30		FEEDMO
N#CCc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)c1	ZINC000453573772	560389221	/nfs/dbraw/zinc/38/92/21/560389221.db2.gz	HRBIOKAFXPWFQI-HZPDHXFCSA-N	1	1	360.845	2.088	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)c1	ZINC000453580629	560389613	/nfs/dbraw/zinc/38/96/13/560389613.db2.gz	JZBNKVMRQROIFK-UHFFFAOYSA-N	1	1	364.449	2.444	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1	ZINC000453592537	560390130	/nfs/dbraw/zinc/39/01/30/560390130.db2.gz	KDVVFYSMYNXIQV-INIZCTEOSA-N	1	1	356.451	2.286	20	30		FEEDMO
C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453643882	560392951	/nfs/dbraw/zinc/39/29/51/560392951.db2.gz	LOHAGLHOCXZYRG-DZGCQCFKSA-N	1	1	374.872	2.430	20	30		FEEDMO
C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453643882	560392952	/nfs/dbraw/zinc/39/29/52/560392952.db2.gz	LOHAGLHOCXZYRG-DZGCQCFKSA-N	1	1	374.872	2.430	20	30		FEEDMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C1CCCC1	ZINC000453648236	560393142	/nfs/dbraw/zinc/39/31/42/560393142.db2.gz	DQTKNOSWQCJYKQ-UHFFFAOYSA-N	1	1	362.861	2.335	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1	ZINC000453695152	560397450	/nfs/dbraw/zinc/39/74/50/560397450.db2.gz	KRBHXULIJULGQQ-MRXNPFEDSA-N	1	1	364.449	2.442	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453706828	560398424	/nfs/dbraw/zinc/39/84/24/560398424.db2.gz	GHSHYDGFBHGVAX-OCCSQVGLSA-N	1	1	360.845	2.040	20	30		FEEDMO
CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]1C	ZINC000453714304	560398987	/nfs/dbraw/zinc/39/89/87/560398987.db2.gz	JRIRJGLNDAWTST-QWHCGFSZSA-N	1	1	362.861	2.286	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]1C	ZINC000453714304	560398988	/nfs/dbraw/zinc/39/89/88/560398988.db2.gz	JRIRJGLNDAWTST-QWHCGFSZSA-N	1	1	362.861	2.286	20	30		FEEDMO
CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@@H+]1C	ZINC000453719968	560399414	/nfs/dbraw/zinc/39/94/14/560399414.db2.gz	ILMCVVKSEFUJKI-MRXNPFEDSA-N	1	1	362.861	2.143	20	30		FEEDMO
CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+]1C	ZINC000453719968	560399415	/nfs/dbraw/zinc/39/94/15/560399415.db2.gz	ILMCVVKSEFUJKI-MRXNPFEDSA-N	1	1	362.861	2.143	20	30		FEEDMO
CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000453987629	560419718	/nfs/dbraw/zinc/41/97/18/560419718.db2.gz	ZICFPBIKCCPODO-KRWDZBQOSA-N	1	1	372.469	2.250	20	30		FEEDMO
CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000453987629	560419719	/nfs/dbraw/zinc/41/97/19/560419719.db2.gz	ZICFPBIKCCPODO-KRWDZBQOSA-N	1	1	372.469	2.250	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1C#N	ZINC000455005079	560466945	/nfs/dbraw/zinc/46/69/45/560466945.db2.gz	VULYPCBWQNPJQH-QGZVFWFLSA-N	1	1	360.458	2.314	20	30		FEEDMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccc(C#N)c(F)c2)C[C@H](C)O1	ZINC000455553326	560486888	/nfs/dbraw/zinc/48/68/88/560486888.db2.gz	ZUGSCWKCEDDRLJ-KBPBESRZSA-N	1	1	362.449	2.384	20	30		FEEDMO
C=C[C@@H](CC(=O)NCC1([NH+]2CCOCC2)CCOCC1)c1ccccc1	ZINC000457977282	560597457	/nfs/dbraw/zinc/59/74/57/560597457.db2.gz	IJJIIOUJHNGWMK-SFHVURJKSA-N	1	1	358.482	2.344	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NCC(C)(C)CC#N)CC2	ZINC000458398126	560620077	/nfs/dbraw/zinc/62/00/77/560620077.db2.gz	FTLBROLUNOSBQO-UHFFFAOYSA-N	1	1	374.485	2.301	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NCC(C)(C)CC#N)CC2	ZINC000458398126	560620078	/nfs/dbraw/zinc/62/00/78/560620078.db2.gz	FTLBROLUNOSBQO-UHFFFAOYSA-N	1	1	374.485	2.301	20	30		FEEDMO
C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1	ZINC000460555992	560746206	/nfs/dbraw/zinc/74/62/06/560746206.db2.gz	GTDJXLKNGFNRON-SFHVURJKSA-N	1	1	360.550	2.269	20	30		FEEDMO
CCCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)cn1	ZINC000461936910	560788679	/nfs/dbraw/zinc/78/86/79/560788679.db2.gz	ORVLTWJMETVJTR-ROUUACIJSA-N	1	1	358.490	2.203	20	30		FEEDMO
CCCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)cn1	ZINC000461936910	560788681	/nfs/dbraw/zinc/78/86/81/560788681.db2.gz	ORVLTWJMETVJTR-ROUUACIJSA-N	1	1	358.490	2.203	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCC[C@H]3C#N)cc2)CC1	ZINC000461943026	560789016	/nfs/dbraw/zinc/78/90/16/560789016.db2.gz	VNDIKJHULVAGLX-VQTJNVASSA-N	1	1	369.513	2.316	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)C[C@H]1C	ZINC000464420366	560841252	/nfs/dbraw/zinc/84/12/52/560841252.db2.gz	PTEPWNAPEQHZRI-UKRRQHHQSA-N	1	1	351.472	2.060	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)c1C	ZINC000464799897	560851620	/nfs/dbraw/zinc/85/16/20/560851620.db2.gz	SUPRDHMGLUZOJO-NRFANRHFSA-N	1	1	368.481	2.152	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)c1C	ZINC000464799897	560851621	/nfs/dbraw/zinc/85/16/21/560851621.db2.gz	SUPRDHMGLUZOJO-NRFANRHFSA-N	1	1	368.481	2.152	20	30		FEEDMO
COC(=O)C1(c2ccccc2)CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000469614580	560959702	/nfs/dbraw/zinc/95/97/02/560959702.db2.gz	BWSDRMPMKUILGO-INIZCTEOSA-N	1	1	369.465	2.144	20	30		FEEDMO
CCN(C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1)CC(F)(F)F	ZINC000469720586	560962820	/nfs/dbraw/zinc/96/28/20/560962820.db2.gz	IVZJCQGTWMJEEK-UONOGXRCSA-N	1	1	360.424	2.143	20	30		FEEDMO
CCN(C[C@H]1CC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C1)CC(F)(F)F	ZINC000470367730	560979648	/nfs/dbraw/zinc/97/96/48/560979648.db2.gz	SGQSDCYZBVCPDX-HUUCEWRRSA-N	1	1	362.440	2.201	20	30		FEEDMO
C[C@H](NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1)c1ccc(C#N)cc1	ZINC000473660228	561055338	/nfs/dbraw/zinc/05/53/38/561055338.db2.gz	MIZVTOVUTTVGDL-INIZCTEOSA-N	1	1	357.502	2.335	20	30		FEEDMO
CN(C)c1cc(NC(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)cc[nH+]1	ZINC000475819348	561106194	/nfs/dbraw/zinc/10/61/94/561106194.db2.gz	FULUBEZXWOLTNI-QGZVFWFLSA-N	1	1	363.421	2.149	20	30		FEEDMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCCOc2cccc(C#N)c2)C1	ZINC000477139690	561137636	/nfs/dbraw/zinc/13/76/36/561137636.db2.gz	QHUKYDIADKLOJM-AEFFLSMTSA-N	1	1	359.470	2.190	20	30		FEEDMO
C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cccnc1C#N	ZINC000528529172	562334218	/nfs/dbraw/zinc/33/42/18/562334218.db2.gz	GWVXGMOPCWXANE-CRAIPNDOSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cccnc1C#N	ZINC000528529172	562334219	/nfs/dbraw/zinc/33/42/19/562334219.db2.gz	GWVXGMOPCWXANE-CRAIPNDOSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@]1(CO)C[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C[C@@]1(C)CO	ZINC000528749976	562345867	/nfs/dbraw/zinc/34/58/67/562345867.db2.gz	FTFKAVJMCUQVCK-CALCHBBNSA-N	1	1	357.372	2.250	20	30		FEEDMO
COCc1ccc(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N	ZINC000529206384	562364537	/nfs/dbraw/zinc/36/45/37/562364537.db2.gz	VRNBZDZFVPVOEH-GASCZTMLSA-N	1	1	360.458	2.278	20	30		FEEDMO
COCc1ccc(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N	ZINC000529206384	562364538	/nfs/dbraw/zinc/36/45/38/562364538.db2.gz	VRNBZDZFVPVOEH-GASCZTMLSA-N	1	1	360.458	2.278	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1	ZINC000530026627	562395024	/nfs/dbraw/zinc/39/50/24/562395024.db2.gz	MMHQIQMPCRNAQG-INIZCTEOSA-N	1	1	356.470	2.341	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1	ZINC000530532991	562414909	/nfs/dbraw/zinc/41/49/09/562414909.db2.gz	TYWPTKBCQBSDLT-QGZVFWFLSA-N	1	1	373.453	2.498	20	30		FEEDMO
CC1CC(C#N)(C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)C1	ZINC000532326708	562474069	/nfs/dbraw/zinc/47/40/69/562474069.db2.gz	MDPQVMZTWGFTEE-UHFFFAOYSA-N	1	1	367.453	2.316	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1	ZINC000535552104	562561078	/nfs/dbraw/zinc/56/10/78/562561078.db2.gz	RNQCNQKDKMIHJO-ROUUACIJSA-N	1	1	359.495	2.161	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)OCC	ZINC000536432998	562575386	/nfs/dbraw/zinc/57/53/86/562575386.db2.gz	INKUTMFCYZGLBU-AABGKKOBSA-N	1	1	360.498	2.357	20	30		FEEDMO
CC[N@@H+](CCc1cccs1)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000537039472	562584456	/nfs/dbraw/zinc/58/44/56/562584456.db2.gz	WLFDZRXYRTUCKC-GOSISDBHSA-N	1	1	362.543	2.305	20	30		FEEDMO
C[C@H](C(=O)N1CCC(CC#N)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000541049744	562601463	/nfs/dbraw/zinc/60/14/63/562601463.db2.gz	UDDDJBOBQGRQFO-MRXNPFEDSA-N	1	1	358.461	2.488	20	30		FEEDMO
COc1cc(C#N)ccc1NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1	ZINC000546005239	562632640	/nfs/dbraw/zinc/63/26/40/562632640.db2.gz	HHGFZCRCBUGUIX-AWEZNQCLSA-N	1	1	372.469	2.132	20	30		FEEDMO
COc1cc([C@@H](C#N)NC(=O)C[N@@H+](C)CC(C)(C)C)cc(OC)c1OC	ZINC000602089966	567923923	/nfs/dbraw/zinc/92/39/23/567923923.db2.gz	ZXUMVDFXOQUCHY-CQSZACIVSA-N	1	1	363.458	2.371	20	30		FEEDMO
C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O	ZINC000602847846	568000654	/nfs/dbraw/zinc/00/06/54/568000654.db2.gz	DQEREQBMTUPTOF-OLMMMNRUSA-N	1	1	358.461	2.406	20	30		FEEDMO
C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C1=O	ZINC000602847846	568000655	/nfs/dbraw/zinc/00/06/55/568000655.db2.gz	DQEREQBMTUPTOF-OLMMMNRUSA-N	1	1	358.461	2.406	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C[C@H](C)N1CC#N	ZINC000602856038	568002347	/nfs/dbraw/zinc/00/23/47/568002347.db2.gz	YCPUHPBNCZRCGQ-ZNMIVQPWSA-N	1	1	371.403	2.363	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@H](C)N1CC#N	ZINC000602858775	568003013	/nfs/dbraw/zinc/00/30/13/568003013.db2.gz	VDXPJJUGBYWSDU-FUHIMQAGSA-N	1	1	354.498	2.488	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1	ZINC000602890251	568006920	/nfs/dbraw/zinc/00/69/20/568006920.db2.gz	ZJZRIWXAJDCRPC-NVXWUHKLSA-N	1	1	351.454	2.427	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1	ZINC000602894270	568013792	/nfs/dbraw/zinc/01/37/92/568013792.db2.gz	JRZKCPMAHQSELZ-INIZCTEOSA-N	1	1	353.470	2.443	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1	ZINC000602924406	568018149	/nfs/dbraw/zinc/01/81/49/568018149.db2.gz	HYFHNBVHBGDMLY-DOMZBBRYSA-N	1	1	357.376	2.337	20	30		FEEDMO
Cn1ccnc1SCc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)o1	ZINC000603885947	568176991	/nfs/dbraw/zinc/17/69/91/568176991.db2.gz	GJAHICIQTGOETQ-UHFFFAOYSA-N	1	1	359.455	2.023	20	30		FEEDMO
Cc1nnc([C@@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)[nH]1	ZINC000568841724	568232255	/nfs/dbraw/zinc/23/22/55/568232255.db2.gz	CNDOCZTVBBBBDM-GFCCVEGCSA-N	1	1	370.482	2.353	20	30		FEEDMO
Cc1n[nH]c([C@@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1	ZINC000568841724	568232256	/nfs/dbraw/zinc/23/22/56/568232256.db2.gz	CNDOCZTVBBBBDM-GFCCVEGCSA-N	1	1	370.482	2.353	20	30		FEEDMO
Cc1n[nH]c([C@@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1	ZINC000568841724	568232257	/nfs/dbraw/zinc/23/22/57/568232257.db2.gz	CNDOCZTVBBBBDM-GFCCVEGCSA-N	1	1	370.482	2.353	20	30		FEEDMO
Cc1nc([C@@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n[nH]1	ZINC000568841724	568232258	/nfs/dbraw/zinc/23/22/58/568232258.db2.gz	CNDOCZTVBBBBDM-GFCCVEGCSA-N	1	1	370.482	2.353	20	30		FEEDMO
Cc1nc([C@@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n[nH]1	ZINC000568841724	568232259	/nfs/dbraw/zinc/23/22/59/568232259.db2.gz	CNDOCZTVBBBBDM-GFCCVEGCSA-N	1	1	370.482	2.353	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)o2)cc1	ZINC000568825124	568233797	/nfs/dbraw/zinc/23/37/97/568233797.db2.gz	VVPPKTSAYJUXMA-QGZVFWFLSA-N	1	1	354.410	2.378	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1	ZINC000609484908	568344971	/nfs/dbraw/zinc/34/49/71/568344971.db2.gz	GUEFLFJFLCOJBI-QGZVFWFLSA-N	1	1	359.430	2.089	20	30		FEEDMO
N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1	ZINC000569394467	568400466	/nfs/dbraw/zinc/40/04/66/568400466.db2.gz	YJCICHCZJPECBN-GOSISDBHSA-N	1	1	367.497	2.256	20	30		FEEDMO
CCCOc1ccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000569837332	568421055	/nfs/dbraw/zinc/42/10/55/568421055.db2.gz	NFNDUKYQSYIGFA-UHFFFAOYSA-N	1	1	359.451	2.306	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)Nc3cccc(C#N)n3)CC2)nc(C)[nH+]1	ZINC000570568887	568487594	/nfs/dbraw/zinc/48/75/94/568487594.db2.gz	UDZWFBFNIBUVDG-UHFFFAOYSA-N	1	1	351.414	2.151	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc(Br)c1C#N	ZINC000570622486	568491616	/nfs/dbraw/zinc/49/16/16/568491616.db2.gz	OCHOFBJFFMDPNK-LLVKDONJSA-N	1	1	374.304	2.328	20	30		FEEDMO
Fc1cc(C=[NH+]Nc2cccc(-c3nn[nH]n3)c2)ccc1N1CCOCC1	ZINC000737644808	598438898	/nfs/dbraw/zinc/43/88/98/598438898.db2.gz	MPLSDPJHXJNGJH-UHFFFAOYSA-N	1	1	367.388	2.288	20	30		FEEDMO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000736763351	600565874	/nfs/dbraw/zinc/56/58/74/600565874.db2.gz	WYDAACZCILKAAQ-HLIPFELVSA-N	1	1	370.497	2.174	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F	ZINC000810573469	674550905	/nfs/dbraw/zinc/55/09/05/674550905.db2.gz	RDMSRXXMCRHBCE-NEPJUHHUSA-N	1	1	364.364	2.083	20	30		FEEDMO
C#CC[N@H+](Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)C1CCCCC1	ZINC000823849893	607920985	/nfs/dbraw/zinc/92/09/85/607920985.db2.gz	BQDDDAPPVLVCMN-UHFFFAOYSA-N	1	1	353.426	2.421	20	30		FEEDMO
CC[C@H]1C[N@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1	ZINC000560328473	674577824	/nfs/dbraw/zinc/57/78/24/674577824.db2.gz	GZBRUHUSMNDEHL-ZDUSSCGKSA-N	1	1	366.259	2.252	20	30		FEEDMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1	ZINC000560328473	674577826	/nfs/dbraw/zinc/57/78/26/674577826.db2.gz	GZBRUHUSMNDEHL-ZDUSSCGKSA-N	1	1	366.259	2.252	20	30		FEEDMO
C[C@H]1C(N=Nc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1	ZINC000811628839	674617285	/nfs/dbraw/zinc/61/72/85/674617285.db2.gz	NOSXHWSBUMXUHI-AWEZNQCLSA-N	1	1	358.467	2.396	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1c(CC)ccc(Cl)c1CC	ZINC000815859823	674978803	/nfs/dbraw/zinc/97/88/03/674978803.db2.gz	NWCBEYKPLSJWIJ-UHFFFAOYSA-N	1	1	363.889	2.475	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](CC)OC	ZINC001048564470	675010487	/nfs/dbraw/zinc/01/04/87/675010487.db2.gz	OUPPOYABOWBENA-VUQDICHWSA-N	1	1	350.503	2.362	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1c1nc(Cl)c(C#N)s1	ZINC001048587163	675011361	/nfs/dbraw/zinc/01/13/61/675011361.db2.gz	KBEIVBYIBIWRRA-TUAOUCFPSA-N	1	1	367.906	2.236	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@@H]2C1	ZINC001048827226	675015911	/nfs/dbraw/zinc/01/59/11/675015911.db2.gz	XTZIAAWNSSZEMH-ATLSCFEFSA-N	1	1	361.511	2.323	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)CC1	ZINC000068444632	670471314	/nfs/dbraw/zinc/47/13/14/670471314.db2.gz	MYNWCZYDXXQYSY-UHFFFAOYSA-N	1	1	353.491	2.444	20	30		FEEDMO
C=C(Br)CNC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1	ZINC000817776078	675176460	/nfs/dbraw/zinc/17/64/60/675176460.db2.gz	YMMVOUAVGIHZTC-UHFFFAOYSA-N	1	1	373.339	2.097	20	30		FEEDMO
C=C(Br)CNC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1	ZINC000817776078	675176461	/nfs/dbraw/zinc/17/64/61/675176461.db2.gz	YMMVOUAVGIHZTC-UHFFFAOYSA-N	1	1	373.339	2.097	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSc2cccc(F)c2C#N)C1	ZINC000574412484	671237535	/nfs/dbraw/zinc/23/75/35/671237535.db2.gz	BGSMYTBHTIWMJP-AWEZNQCLSA-N	1	1	365.474	2.262	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(c2cc(Br)c(C#N)cc2F)[C@H](C)C1	ZINC000576621215	671382250	/nfs/dbraw/zinc/38/22/50/671382250.db2.gz	YOHKVFBOQGASKW-MNOVXSKESA-N	1	1	356.239	2.351	20	30		FEEDMO
C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H](O)C(F)(F)F	ZINC000577717238	671615586	/nfs/dbraw/zinc/61/55/86/671615586.db2.gz	PHQCLNYARUUOKZ-AWEZNQCLSA-N	1	1	353.348	2.214	20	30		FEEDMO
C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C[C@H](O)C(F)(F)F	ZINC000577717238	671615587	/nfs/dbraw/zinc/61/55/87/671615587.db2.gz	PHQCLNYARUUOKZ-AWEZNQCLSA-N	1	1	353.348	2.214	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)NCC2(C#N)CCC2)c2cccs2)CC1	ZINC000578122608	671642208	/nfs/dbraw/zinc/64/22/08/671642208.db2.gz	UGZBJGPQBPTFPC-HNNXBMFYSA-N	1	1	361.515	2.030	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1	ZINC000609537738	675925137	/nfs/dbraw/zinc/92/51/37/675925137.db2.gz	DDFUZYOUTSATIY-FUHWJXTLSA-N	1	1	351.878	2.245	20	30		FEEDMO
CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000581051687	671858836	/nfs/dbraw/zinc/85/88/36/671858836.db2.gz	YQCJJXLXHVGYMY-KFKAGJAMSA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(F)c2C#N)C1	ZINC000128713746	672052062	/nfs/dbraw/zinc/05/20/62/672052062.db2.gz	RFWUGQOXTBHWAU-CQSZACIVSA-N	1	1	353.463	2.344	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000583016433	672055398	/nfs/dbraw/zinc/05/53/98/672055398.db2.gz	UTXXJGQRAJVVKM-UHFFFAOYSA-N	1	1	356.304	2.331	20	30		FEEDMO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C[N@H+](C)CCCC)c1	ZINC000583665956	672115099	/nfs/dbraw/zinc/11/50/99/672115099.db2.gz	WLEIZOJDTBYVSX-OAHLLOKOSA-N	1	1	367.515	2.001	20	30		FEEDMO
C#CCOCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1	ZINC000133825925	672116130	/nfs/dbraw/zinc/11/61/30/672116130.db2.gz	DNRIPUFISYLONM-INIZCTEOSA-N	1	1	350.846	2.166	20	30		FEEDMO
CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCc2cscn2)CC1=O	ZINC000178470172	672391762	/nfs/dbraw/zinc/39/17/62/672391762.db2.gz	NNXCIGHPTINYLM-UHFFFAOYSA-N	1	1	353.451	2.345	20	30		FEEDMO
COCC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000589495909	672529437	/nfs/dbraw/zinc/52/94/37/672529437.db2.gz	KQSKYZPNUPPOEG-UHFFFAOYSA-N	1	1	355.360	2.304	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[N@@H+](CCO)C(C)(C)C1	ZINC000682035475	672729181	/nfs/dbraw/zinc/72/91/81/672729181.db2.gz	ZDSDQYSXUDZERX-INIZCTEOSA-N	1	1	365.543	2.040	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C	ZINC000592127558	672761436	/nfs/dbraw/zinc/76/14/36/672761436.db2.gz	JPMMXUHMTSJFLW-JTNHKYCSSA-N	1	1	361.467	2.176	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C	ZINC000592127558	672761439	/nfs/dbraw/zinc/76/14/39/672761439.db2.gz	JPMMXUHMTSJFLW-JTNHKYCSSA-N	1	1	361.467	2.176	20	30		FEEDMO
N#CC[C@@]1(O)CC[N@@H+](CCC(=O)Nc2ccccc2Br)C1	ZINC000592151866	672764724	/nfs/dbraw/zinc/76/47/24/672764724.db2.gz	RHVNZNRRUTYUIW-OAHLLOKOSA-N	1	1	352.232	2.128	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1	ZINC000592157422	672765576	/nfs/dbraw/zinc/76/55/76/672765576.db2.gz	XOLGTVWJURSKPA-HNNXBMFYSA-N	1	1	351.491	2.438	20	30		FEEDMO
N#Cc1csc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)n1	ZINC000593066076	672871078	/nfs/dbraw/zinc/87/10/78/672871078.db2.gz	BIQVTUDUISJASM-QZTJIDSGSA-N	1	1	354.479	2.490	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCNC(=O)Cc2ccc(Br)cc2C#N)C1	ZINC000593499470	672930645	/nfs/dbraw/zinc/93/06/45/672930645.db2.gz	SNDWROLZKNOHSU-GFCCVEGCSA-N	1	1	350.260	2.321	20	30		FEEDMO
COCCOCC[NH+]1CCN(c2cccc(Br)c2C#N)CC1	ZINC000593518084	672932405	/nfs/dbraw/zinc/93/24/05/672932405.db2.gz	OMURADULJJHWLN-UHFFFAOYSA-N	1	1	368.275	2.106	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(Br)cc1C#N	ZINC000593521712	672932864	/nfs/dbraw/zinc/93/28/64/672932864.db2.gz	OPDMEUSXBYHIIS-ZBEGNZNMSA-N	1	1	362.271	2.462	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(Cl)c1	ZINC000594327975	673059236	/nfs/dbraw/zinc/05/92/36/673059236.db2.gz	YHNDYGZQASKGTG-HZPDHXFCSA-N	1	1	360.845	2.283	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)NC[C@@H]3CCCCO3)CC2)C[C@H](C)O1	ZINC000328716989	673065331	/nfs/dbraw/zinc/06/53/31/673065331.db2.gz	FBLGUOQGMIJRBU-JZXOWHBKSA-N	1	1	353.507	2.291	20	30		FEEDMO
Cn1c2ccc(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)cc2nc1C(F)F	ZINC000328835100	673067586	/nfs/dbraw/zinc/06/75/86/673067586.db2.gz	SFVBWSSBEDLOJQ-LBPRGKRZSA-N	1	1	351.401	2.061	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)[N@H+](C)C1	ZINC000328941815	673070003	/nfs/dbraw/zinc/07/00/03/673070003.db2.gz	FKNRKFJAHQPKSD-ZNMIVQPWSA-N	1	1	351.834	2.121	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)[N@@H+](C)C1	ZINC000328941815	673070008	/nfs/dbraw/zinc/07/00/08/673070008.db2.gz	FKNRKFJAHQPKSD-ZNMIVQPWSA-N	1	1	351.834	2.121	20	30		FEEDMO
C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1	ZINC000329253122	673074427	/nfs/dbraw/zinc/07/44/27/673074427.db2.gz	YXKNVFLKSKFINX-ULQDDVLXSA-N	1	1	351.491	2.235	20	30		FEEDMO
C[C@@H]1CN(C(=O)CCNC(=O)C2CCCCC2)C[C@@H]1[NH+]1CCOCC1	ZINC000329739596	673082568	/nfs/dbraw/zinc/08/25/68/673082568.db2.gz	NMQKDUWAWWKLQL-WBVHZDCISA-N	1	1	351.491	2.092	20	30		FEEDMO
C[C@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)CN1CC[NH+](C)CC1	ZINC000726481309	673126270	/nfs/dbraw/zinc/12/62/70/673126270.db2.gz	RTHFZDOHOVBNSV-CYBMUJFWSA-N	1	1	365.934	2.382	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCCNC(=O)C2)sc2c1CCCCC2	ZINC000726790977	673139666	/nfs/dbraw/zinc/13/96/66/673139666.db2.gz	GLVFVOJSUBWSTG-UHFFFAOYSA-N	1	1	360.483	2.039	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCCNC(=O)C2)sc2c1CCCCC2	ZINC000726790977	673139668	/nfs/dbraw/zinc/13/96/68/673139668.db2.gz	GLVFVOJSUBWSTG-UHFFFAOYSA-N	1	1	360.483	2.039	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000595352719	673230768	/nfs/dbraw/zinc/23/07/68/673230768.db2.gz	CBFKDUMBCZPRKZ-GFCCVEGCSA-N	1	1	361.389	2.340	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1	ZINC000595409194	673245447	/nfs/dbraw/zinc/24/54/47/673245447.db2.gz	BBBIAOLJPXZLCZ-CQSZACIVSA-N	1	1	351.447	2.098	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000595468261	673255052	/nfs/dbraw/zinc/25/50/52/673255052.db2.gz	YFQUHALTLOGHGU-MRXNPFEDSA-N	1	1	350.894	2.035	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC(F)(F)[C@@H](CO)C1)CCC2	ZINC000463222507	673301478	/nfs/dbraw/zinc/30/14/78/673301478.db2.gz	MOMWFNPIWCPSLG-LLVKDONJSA-N	1	1	369.437	2.387	20	30		FEEDMO
N#Cc1sccc1N1CCN(C(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1	ZINC000595961107	673344258	/nfs/dbraw/zinc/34/42/58/673344258.db2.gz	PDBIJJNFZXYUPU-INIZCTEOSA-N	1	1	362.405	2.247	20	30		FEEDMO
COc1ccc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1OCCCC#N	ZINC000536663079	673374606	/nfs/dbraw/zinc/37/46/06/673374606.db2.gz	VCJRQJINSPCQKD-MRXNPFEDSA-N	1	1	366.483	2.244	20	30		FEEDMO
COc1ccc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1OCCCC#N	ZINC000536663079	673374609	/nfs/dbraw/zinc/37/46/09/673374609.db2.gz	VCJRQJINSPCQKD-MRXNPFEDSA-N	1	1	366.483	2.244	20	30		FEEDMO
CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccccc3SCC#N)C2)CC1	ZINC000732782321	673381900	/nfs/dbraw/zinc/38/19/00/673381900.db2.gz	XEJNLYYLSWFUJR-HNNXBMFYSA-N	1	1	358.511	2.201	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccccc3SCC#N)C2)CC1	ZINC000732782321	673381903	/nfs/dbraw/zinc/38/19/03/673381903.db2.gz	XEJNLYYLSWFUJR-HNNXBMFYSA-N	1	1	358.511	2.201	20	30		FEEDMO
C[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810992	673384196	/nfs/dbraw/zinc/38/41/96/673384196.db2.gz	QHPUMEWYDVGVAV-OAHLLOKOSA-N	1	1	355.360	2.422	20	30		FEEDMO
C=CCCSCCNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000596715360	673406658	/nfs/dbraw/zinc/40/66/58/673406658.db2.gz	DWKRNQWBLJJCLW-GOSISDBHSA-N	1	1	363.527	2.014	20	30		FEEDMO
C=CCCSCCNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000596721261	673407275	/nfs/dbraw/zinc/40/72/75/673407275.db2.gz	FPAPZHSFGWKTDS-QGZVFWFLSA-N	1	1	354.564	2.107	20	30		FEEDMO
CCOCCC[N@H+]1CCC(=NNC(=S)NCC(F)(F)F)[C@@H](C)C1	ZINC000735229699	673486849	/nfs/dbraw/zinc/48/68/49/673486849.db2.gz	OCDXCBWVKZUVTQ-NSHDSACASA-N	1	1	354.442	2.137	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+](C)CCc1cnccn1	ZINC000540048834	673521122	/nfs/dbraw/zinc/52/11/22/673521122.db2.gz	YRUYRZVCYCLMFC-LBPRGKRZSA-N	1	1	355.467	2.400	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+](C)CCc1cnccn1	ZINC000540048834	673521124	/nfs/dbraw/zinc/52/11/24/673521124.db2.gz	YRUYRZVCYCLMFC-LBPRGKRZSA-N	1	1	355.467	2.400	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599359383	673663397	/nfs/dbraw/zinc/66/33/97/673663397.db2.gz	ACUVJANXKKGNKL-HZPDHXFCSA-N	1	1	352.475	2.111	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc(C)c(F)c(C)c1	ZINC000741455974	673687482	/nfs/dbraw/zinc/68/74/82/673687482.db2.gz	NVMJNRFGETUZAB-UHFFFAOYSA-N	1	1	366.506	2.353	20	30		FEEDMO
C[C@]1(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCS1	ZINC000600108770	673741315	/nfs/dbraw/zinc/74/13/15/673741315.db2.gz	UETGHNWUZKFYQH-QGZVFWFLSA-N	1	1	365.524	2.150	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=S)NNc1oc(C(C)(C)C)nc1C#N	ZINC000746346655	673874017	/nfs/dbraw/zinc/87/40/17/673874017.db2.gz	OKMPHGLBROIJOM-LLVKDONJSA-N	1	1	350.492	2.119	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)OC(C)(C)C	ZINC000818609392	675228562	/nfs/dbraw/zinc/22/85/62/675228562.db2.gz	SQPXIBDHHABHDC-HOTGVXAUSA-N	1	1	351.491	2.093	20	30		FEEDMO
C#C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Cl)cc1F	ZINC000820750142	675385020	/nfs/dbraw/zinc/38/50/20/675385020.db2.gz	LAQUQOXGWRRHFE-RHSMWYFYSA-N	1	1	367.852	2.299	20	30		FEEDMO
C#CCN1C(=O)C[C@@H]([NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)C1=O	ZINC000821771595	675450962	/nfs/dbraw/zinc/45/09/62/675450962.db2.gz	GCOXBXIOALBTJW-MRXNPFEDSA-N	1	1	362.832	2.447	20	30		FEEDMO
C#CCN(CC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C(=O)OC(C)(C)C	ZINC000823333224	675545425	/nfs/dbraw/zinc/54/54/25/675545425.db2.gz	URPRGMCPYOLMIY-CVEARBPZSA-N	1	1	351.491	2.093	20	30		FEEDMO
CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C#Cc1cccs1	ZINC000825414438	675651776	/nfs/dbraw/zinc/65/17/76/675651776.db2.gz	FBEOZXWFTGSLRS-MRXNPFEDSA-N	1	1	362.495	2.366	20	30		FEEDMO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(C)(C)C)ccc1OC	ZINC000827644223	675770154	/nfs/dbraw/zinc/77/01/54/675770154.db2.gz	QMINARCZYUVUTF-UHFFFAOYSA-N	1	1	352.500	2.226	20	30		FEEDMO
C#CC[C@H]1CCC[N@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1	ZINC000829769397	675890163	/nfs/dbraw/zinc/89/01/63/675890163.db2.gz	USZBWNVFOVGSNM-INIZCTEOSA-N	1	1	350.484	2.051	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H]1C	ZINC000616419009	676249634	/nfs/dbraw/zinc/24/96/34/676249634.db2.gz	HASOOBYQOBUHTL-CZUORRHYSA-N	1	1	353.463	2.332	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3nc4c(s3)CCC4)C2=O)cc1	ZINC000616996457	676265617	/nfs/dbraw/zinc/26/56/17/676265617.db2.gz	FVRDWJHNZBIPED-MRXNPFEDSA-N	1	1	352.463	2.394	20	30		FEEDMO
N#C[C@]1(F)CCN(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1	ZINC000617529114	676290909	/nfs/dbraw/zinc/29/09/09/676290909.db2.gz	WKAHVWGRPCHSIQ-SJLPKXTDSA-N	1	1	362.474	2.251	20	30		FEEDMO
N#C[C@]1(F)CCN(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1	ZINC000617529114	676290911	/nfs/dbraw/zinc/29/09/11/676290911.db2.gz	WKAHVWGRPCHSIQ-SJLPKXTDSA-N	1	1	362.474	2.251	20	30		FEEDMO
Cn1ccc(C[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1=O	ZINC000619295513	676371626	/nfs/dbraw/zinc/37/16/26/676371626.db2.gz	MLMHZGQWABALAX-SFHVURJKSA-N	1	1	356.857	2.421	20	30		FEEDMO
C=CCOc1c(Cl)cc(CNC[C@@H]2C[N@H+](C)CCN2C)cc1OC	ZINC000623414033	676533961	/nfs/dbraw/zinc/53/39/61/676533961.db2.gz	QVZVEFFEJUKDHF-OAHLLOKOSA-N	1	1	353.894	2.249	20	30		FEEDMO
C=CCOc1c(Cl)cc(CNC[C@@H]2C[N@@H+](C)CCN2C)cc1OC	ZINC000623414033	676533963	/nfs/dbraw/zinc/53/39/63/676533963.db2.gz	QVZVEFFEJUKDHF-OAHLLOKOSA-N	1	1	353.894	2.249	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1	ZINC000628125482	676791173	/nfs/dbraw/zinc/79/11/73/676791173.db2.gz	BMZNZHBTRLYZLH-UHFFFAOYSA-N	1	1	355.404	2.168	20	30		FEEDMO
C=C(C)[C@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccc(F)c(F)c1	ZINC000654534751	677586866	/nfs/dbraw/zinc/58/68/66/677586866.db2.gz	OYSTVHIHTDMEQD-VBQJREDUSA-N	1	1	351.397	2.042	20	30		FEEDMO
C=CCCn1cc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)nn1	ZINC000657465229	678002490	/nfs/dbraw/zinc/00/24/90/678002490.db2.gz	JBBXZWLIKIHJDC-CYBMUJFWSA-N	1	1	359.396	2.277	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](Cn2ccnn2)C1	ZINC000661142563	678440761	/nfs/dbraw/zinc/44/07/61/678440761.db2.gz	WXJFSSHACCDCRF-CVEARBPZSA-N	1	1	359.499	2.265	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)C(C)(C)C	ZINC000661756834	678530384	/nfs/dbraw/zinc/53/03/84/678530384.db2.gz	WLACAGWXTZGAPE-UHFFFAOYSA-N	1	1	367.515	2.470	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(SC)c2)CC1	ZINC000747818366	679905181	/nfs/dbraw/zinc/90/51/81/679905181.db2.gz	NEBSYUCSXJYWER-AWEZNQCLSA-N	1	1	359.495	2.197	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@](C)(CC)CNC(=O)OC(C)(C)C)CC1	ZINC000747845533	679907102	/nfs/dbraw/zinc/90/71/02/679907102.db2.gz	XVIRQBKEZJFVHG-LJQANCHMSA-N	1	1	351.491	2.095	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)C1	ZINC001015819868	680053179	/nfs/dbraw/zinc/05/31/79/680053179.db2.gz	SFXQNGSLTGPVHU-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=CCOCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2	ZINC000832034002	680079037	/nfs/dbraw/zinc/07/90/37/680079037.db2.gz	HTCHQKHKTMLWNU-MRXNPFEDSA-N	1	1	354.491	2.442	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(C(C)C)ns2)C1	ZINC001020168899	680101453	/nfs/dbraw/zinc/10/14/53/680101453.db2.gz	CGSPKXVNDYRGTH-TUVASFSCSA-N	1	1	364.515	2.380	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21	ZINC000978166121	680170356	/nfs/dbraw/zinc/17/03/56/680170356.db2.gz	JHHYQRUWVSCVSC-DZVNLGKHSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21	ZINC000978166121	680170358	/nfs/dbraw/zinc/17/03/58/680170358.db2.gz	JHHYQRUWVSCVSC-DZVNLGKHSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cc(C)ns3)C[C@H]21	ZINC000978841809	680181629	/nfs/dbraw/zinc/18/16/29/680181629.db2.gz	PDAQSJANGACZGV-TXTZMMAHSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]21	ZINC000978844793	680181838	/nfs/dbraw/zinc/18/18/38/680181838.db2.gz	WWILYOYUYKSQBD-VIQHNZTISA-N	1	1	354.441	2.307	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC3)s2)C1	ZINC001022843013	680242013	/nfs/dbraw/zinc/24/20/13/680242013.db2.gz	PPMFYYDGIYSZBZ-FQLMCAECSA-N	1	1	362.499	2.134	20	30		FEEDMO
O=C1Nc2c(cccc2C(F)(F)F)C1=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1	ZINC000753937193	680325318	/nfs/dbraw/zinc/32/53/18/680325318.db2.gz	WSWTUORHKKIODK-PHIMTYICSA-N	1	1	351.332	2.222	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(Cl)c1	ZINC000754412285	680354803	/nfs/dbraw/zinc/35/48/03/680354803.db2.gz	MGEXWLZYRKJXIP-NWDGAFQWSA-N	1	1	354.237	2.458	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@H]2OCC[C@H]2C(C)C)C1	ZINC001028543135	680372502	/nfs/dbraw/zinc/37/25/02/680372502.db2.gz	KGJLRZCZRWEUGI-ILXRZTDVSA-N	1	1	359.308	2.394	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2OCC[C@H]2C(C)C)C1	ZINC001028543135	680372504	/nfs/dbraw/zinc/37/25/04/680372504.db2.gz	KGJLRZCZRWEUGI-ILXRZTDVSA-N	1	1	359.308	2.394	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1	ZINC001028602961	680377060	/nfs/dbraw/zinc/37/70/60/680377060.db2.gz	ROAMMRDWOVLMPU-CGTJXYLNSA-N	1	1	364.873	2.334	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1	ZINC001028602961	680377064	/nfs/dbraw/zinc/37/70/64/680377064.db2.gz	ROAMMRDWOVLMPU-CGTJXYLNSA-N	1	1	364.873	2.334	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1	ZINC001028601999	680377472	/nfs/dbraw/zinc/37/74/72/680377472.db2.gz	BRHKLOVJYUEHCK-BBWFWOEESA-N	1	1	367.921	2.358	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1	ZINC001028601999	680377476	/nfs/dbraw/zinc/37/74/76/680377476.db2.gz	BRHKLOVJYUEHCK-BBWFWOEESA-N	1	1	367.921	2.358	20	30		FEEDMO
C=C(Br)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000999207203	680398931	/nfs/dbraw/zinc/39/89/31/680398931.db2.gz	KQIOOLYIWPYVIW-QLFBSQMISA-N	1	1	358.324	2.206	20	30		FEEDMO
C=C(Br)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC000999207203	680398933	/nfs/dbraw/zinc/39/89/33/680398933.db2.gz	KQIOOLYIWPYVIW-QLFBSQMISA-N	1	1	358.324	2.206	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C(C)C)s2)C1	ZINC001000239435	680424344	/nfs/dbraw/zinc/42/43/44/680424344.db2.gz	BDGUYTNSHGKRKU-ZNMIVQPWSA-N	1	1	364.515	2.333	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCOCC2)C1	ZINC001033496410	680424680	/nfs/dbraw/zinc/42/46/80/680424680.db2.gz	KCZAQKVPKZOREH-FHWLQOOXSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1csc(Cl)n1	ZINC001035056943	680443080	/nfs/dbraw/zinc/44/30/80/680443080.db2.gz	GLENCPYWOOYKEN-MCIONIFRSA-N	1	1	355.891	2.468	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCc2ccsc2)CCO1	ZINC001035515910	680449352	/nfs/dbraw/zinc/44/93/52/680449352.db2.gz	LIVYDNQHAUMPDV-KURKYZTESA-N	1	1	364.511	2.089	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCc2ccsc2)CCO1	ZINC001035515910	680449354	/nfs/dbraw/zinc/44/93/54/680449354.db2.gz	LIVYDNQHAUMPDV-KURKYZTESA-N	1	1	364.511	2.089	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@H+](Cc2ccc(C#N)s2)CC1	ZINC001001164569	680452766	/nfs/dbraw/zinc/45/27/66/680452766.db2.gz	VGISVSDLPPALNV-MSOLQXFVSA-N	1	1	357.479	2.459	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1=CC[N@@H+](Cc2ccc(C#N)s2)CC1	ZINC001001164569	680452768	/nfs/dbraw/zinc/45/27/68/680452768.db2.gz	VGISVSDLPPALNV-MSOLQXFVSA-N	1	1	357.479	2.459	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)CCn2cc(Cl)cn2)CC1	ZINC000985659806	680467344	/nfs/dbraw/zinc/46/73/44/680467344.db2.gz	BFMBHWQLYHGLKL-SJORKVTESA-N	1	1	366.893	2.050	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)CC[C@H]2CCCCO2)CC1	ZINC000985661613	680467946	/nfs/dbraw/zinc/46/79/46/680467946.db2.gz	OTPAAETYMMADBA-QRVBRYPASA-N	1	1	350.503	2.460	20	30		FEEDMO
C[N@H+]1CCCC(N=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1	ZINC000758096815	680555330	/nfs/dbraw/zinc/55/53/30/680555330.db2.gz	ZJIGNYPGUSAGCD-UHFFFAOYSA-N	1	1	365.503	2.140	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1	ZINC001004548234	680559899	/nfs/dbraw/zinc/55/98/99/680559899.db2.gz	QRLURCNOWAMPGO-IKGGRYGDSA-N	1	1	367.921	2.166	20	30		FEEDMO
C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2snc(Cl)c2C#N)C1	ZINC001045497528	680632142	/nfs/dbraw/zinc/63/21/42/680632142.db2.gz	DZZWRWKRDQPEDD-RAIGVLPGSA-N	1	1	367.906	2.459	20	30		FEEDMO
C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1OCCO[C@H]1C)C2	ZINC001045944745	680641993	/nfs/dbraw/zinc/64/19/93/680641993.db2.gz	HINUOLMDWTWPSE-CMKODMSKSA-N	1	1	350.503	2.461	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)C2	ZINC001045946896	680642100	/nfs/dbraw/zinc/64/21/00/680642100.db2.gz	DMPXBXLDXOHHNT-LMMKCTJWSA-N	1	1	369.937	2.163	20	30		FEEDMO
CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)C1	ZINC001046038001	680643075	/nfs/dbraw/zinc/64/30/75/680643075.db2.gz	FLGPRALGOMZTLA-GBESFXJTSA-N	1	1	357.523	2.093	20	30		FEEDMO
C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1	ZINC001046959658	680654633	/nfs/dbraw/zinc/65/46/33/680654633.db2.gz	CVMRFGWYWYMFQE-RBSFLKMASA-N	1	1	352.429	2.173	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1	ZINC001008206972	680664693	/nfs/dbraw/zinc/66/46/93/680664693.db2.gz	GHYRWSPDEWWFJU-BPLDGKMQSA-N	1	1	369.937	2.459	20	30		FEEDMO
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=S)NCCC[NH+]1CCOCC1	ZINC000841484395	680886339	/nfs/dbraw/zinc/88/63/39/680886339.db2.gz	FVWBXDQIHNKSRA-SFHVURJKSA-N	1	1	358.511	2.122	20	30		FEEDMO
CCSc1cccc(C=NNC(=S)NCCC[NH+]2CCOCC2)c1	ZINC000769775283	680994673	/nfs/dbraw/zinc/99/46/73/680994673.db2.gz	FFJFWOZPYZNZQM-UHFFFAOYSA-N	1	1	366.556	2.319	20	30		FEEDMO
C#CC[C@H]1CCC[N@H+](Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1	ZINC000843424529	681003407	/nfs/dbraw/zinc/00/34/07/681003407.db2.gz	VLPIOWSYDVQWFW-ZDUSSCGKSA-N	1	1	350.846	2.448	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1c1nc(C#N)c(Cl)s1	ZINC001050454696	681048340	/nfs/dbraw/zinc/04/83/40/681048340.db2.gz	NZHCTYFLARBBMK-UTUOFQBUSA-N	1	1	367.906	2.093	20	30		FEEDMO
Cc1csc2nc(C[N@@H+](C)C[C@H](O)c3cccc(C#N)c3)cc(=O)n12	ZINC000844365179	681054313	/nfs/dbraw/zinc/05/43/13/681054313.db2.gz	CBDNALMQTGDBHP-INIZCTEOSA-N	1	1	354.435	2.102	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3Cl)[C@@H]2C)CC[N@H+]1C	ZINC001051145841	681064148	/nfs/dbraw/zinc/06/41/48/681064148.db2.gz	PLUPAOONDOHOCH-NCZKRNLISA-N	1	1	361.877	2.030	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(C[NH+](CC(CC)CC)C2)C1	ZINC001053260759	681093890	/nfs/dbraw/zinc/09/38/90/681093890.db2.gz	JJYJTPFKYLXMNT-MSOLQXFVSA-N	1	1	350.503	2.317	20	30		FEEDMO
CCc1nc(N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C(F)(F)F)cc(C)[nH+]1	ZINC001055607478	681144343	/nfs/dbraw/zinc/14/43/43/681144343.db2.gz	QQKBMMGPULAEGA-MVWJERBFSA-N	1	1	355.364	2.308	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001056801906	681156621	/nfs/dbraw/zinc/15/66/21/681156621.db2.gz	QEZUZTMSVYKSGT-GMTAPVOTSA-N	1	1	353.879	2.021	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC2CCN(c3snc(Cl)c3C#N)CC2)CC[N@H+]1C	ZINC001057965030	681166260	/nfs/dbraw/zinc/16/62/60/681166260.db2.gz	VIJQJVADHLPCSU-ZYHUDNBSSA-N	1	1	367.906	2.093	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cc(F)cc(Br)c2F)CC1	ZINC000932178652	681188705	/nfs/dbraw/zinc/18/87/05/681188705.db2.gz	PZVOEXHCTGWZQL-UHFFFAOYSA-N	1	1	358.186	2.445	20	30		FEEDMO
C#C[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1	ZINC000847027955	681322700	/nfs/dbraw/zinc/32/27/00/681322700.db2.gz	DZYOVCKDJDZZHJ-CYBMUJFWSA-N	1	1	359.495	2.400	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)[C@H](C)C1	ZINC000932919450	681328540	/nfs/dbraw/zinc/32/85/40/681328540.db2.gz	ISOQYGBMTKINNT-RDBSUJKOSA-N	1	1	364.412	2.267	20	30		FEEDMO
FC1(F)[C@H]2C[N@@H+](CCc3cn[nH]n3)C[C@H]2C(F)(F)C(F)(F)C1(F)F	ZINC000932941911	681331806	/nfs/dbraw/zinc/33/18/06/681331806.db2.gz	DUEVILIGMITNQS-OCAPTIKFSA-N	1	1	364.240	2.450	20	30		FEEDMO
FC1(F)[C@H]2C[N@H+](CCc3c[nH]nn3)C[C@H]2C(F)(F)C(F)(F)C1(F)F	ZINC000932941911	681331809	/nfs/dbraw/zinc/33/18/09/681331809.db2.gz	DUEVILIGMITNQS-OCAPTIKFSA-N	1	1	364.240	2.450	20	30		FEEDMO
FC1(F)[C@H]2C[N@@H+](CCc3c[nH]nn3)C[C@H]2C(F)(F)C(F)(F)C1(F)F	ZINC000932941911	681331813	/nfs/dbraw/zinc/33/18/13/681331813.db2.gz	DUEVILIGMITNQS-OCAPTIKFSA-N	1	1	364.240	2.450	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCO1	ZINC000775799580	681336089	/nfs/dbraw/zinc/33/60/89/681336089.db2.gz	OJGYDDYALJQBKQ-VZJVUDMVSA-N	1	1	351.790	2.346	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)[C@H]1CCCO1	ZINC000775796951	681336215	/nfs/dbraw/zinc/33/62/15/681336215.db2.gz	BCLSZHNDMJZQNV-UONOGXRCSA-N	1	1	371.300	2.239	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)[C@H]1CCCO1	ZINC000775796952	681336245	/nfs/dbraw/zinc/33/62/45/681336245.db2.gz	BCLSZHNDMJZQNV-ZIAGYGMSSA-N	1	1	371.300	2.239	20	30		FEEDMO
C[N@H+]1CCC[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000847448357	681380556	/nfs/dbraw/zinc/38/05/56/681380556.db2.gz	OZMKPHQHJUQQCW-CABCVRRESA-N	1	1	352.479	2.174	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1	ZINC000933738570	681460646	/nfs/dbraw/zinc/46/06/46/681460646.db2.gz	ZCNUDCCVNXIMKD-QHRIQVFBSA-N	1	1	358.511	2.319	20	30		FEEDMO
CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O	ZINC000848009091	681461193	/nfs/dbraw/zinc/46/11/93/681461193.db2.gz	XHKKFVBRKGWXKZ-RDTXWAMCSA-N	1	1	352.479	2.030	20	30		FEEDMO
CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1=O	ZINC000848009091	681461194	/nfs/dbraw/zinc/46/11/94/681461194.db2.gz	XHKKFVBRKGWXKZ-RDTXWAMCSA-N	1	1	352.479	2.030	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1	ZINC000777310400	681481291	/nfs/dbraw/zinc/48/12/91/681481291.db2.gz	KHEMVIGJKHBUFD-HZPDHXFCSA-N	1	1	350.459	2.321	20	30		FEEDMO
COC(=O)[C@H]1C[N@H+]([C@@H](C)CCC#N)CC12CN(C(=O)OC(C)(C)C)C2	ZINC000934052948	681501914	/nfs/dbraw/zinc/50/19/14/681501914.db2.gz	VGPBCYFWKJGQMD-UONOGXRCSA-N	1	1	351.447	2.021	20	30		FEEDMO
CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cccc(C#N)c2F)CC1	ZINC000934751780	681621535	/nfs/dbraw/zinc/62/15/35/681621535.db2.gz	LGKMVHSGOHSTDY-XMMPIXPASA-N	1	1	352.479	2.484	20	30		FEEDMO
CC1(C)CN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1CCO	ZINC000780227629	681806913	/nfs/dbraw/zinc/80/69/13/681806913.db2.gz	RHLXPXGQOBEOLH-UHFFFAOYSA-N	1	1	352.891	2.297	20	30		FEEDMO
CC1(C)CN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1CCO	ZINC000780227629	681806922	/nfs/dbraw/zinc/80/69/22/681806922.db2.gz	RHLXPXGQOBEOLH-UHFFFAOYSA-N	1	1	352.891	2.297	20	30		FEEDMO
COc1c(C)c[nH+]c(Cn2cc(C#N)c(I)n2)c1C	ZINC000849923034	681824628	/nfs/dbraw/zinc/82/46/28/681824628.db2.gz	IJZWUMOTBWWYOK-UHFFFAOYSA-N	1	1	368.178	2.428	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)Cc2csc(C#N)c2)C1	ZINC000913929360	685489165	/nfs/dbraw/zinc/48/91/65/685489165.db2.gz	REGPOGHEKUFBDV-OKILXGFUSA-N	1	1	355.529	2.407	20	30		FEEDMO
C=C1CCC(CNC(=O)NC2CC[NH+](CC(=O)NCCC)CC2)CC1	ZINC000914115539	685495098	/nfs/dbraw/zinc/49/50/98/685495098.db2.gz	CHQCFBPKNZPURV-UHFFFAOYSA-N	1	1	350.507	2.023	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cc(C)cc(Br)c2O)CC1	ZINC000781899930	681986407	/nfs/dbraw/zinc/98/64/07/681986407.db2.gz	HTILHSKWJSLWGQ-UHFFFAOYSA-N	1	1	365.271	2.425	20	30		FEEDMO
C=CCNS(=O)(=O)c1cccc(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)c1	ZINC000914424466	685507665	/nfs/dbraw/zinc/50/76/65/685507665.db2.gz	GOAXWSXXYSCKNX-INIZCTEOSA-N	1	1	366.483	2.182	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl	ZINC000783533177	682150422	/nfs/dbraw/zinc/15/04/22/682150422.db2.gz	XUNIPNVVDYTPCB-CQSZACIVSA-N	1	1	372.918	2.428	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(CCC)s2)C1	ZINC000968719051	682242374	/nfs/dbraw/zinc/24/23/74/682242374.db2.gz	HBPUTKAWOAFTDK-KFWWJZLASA-N	1	1	364.515	2.162	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1	ZINC000852357430	682265913	/nfs/dbraw/zinc/26/59/13/682265913.db2.gz	BECGAWAAXVFHTO-INIZCTEOSA-N	1	1	362.905	2.421	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](CO)c1cccc(Cl)c1Cl	ZINC000852359122	682266314	/nfs/dbraw/zinc/26/63/14/682266314.db2.gz	CRRVBILBGXVYCH-CQSZACIVSA-N	1	1	358.269	2.281	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)c(F)c2)C1	ZINC000970448137	682298864	/nfs/dbraw/zinc/29/88/64/682298864.db2.gz	WMNSULRXNMEDDB-PNPHSEOMSA-N	1	1	350.409	2.492	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCn3ncc(Br)c3C2)cc1	ZINC000852626064	682309719	/nfs/dbraw/zinc/30/97/19/682309719.db2.gz	DNFHOTIAYVURDT-UHFFFAOYSA-N	1	1	374.242	2.362	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCn3ncc(Br)c3C2)cc1	ZINC000852626064	682309724	/nfs/dbraw/zinc/30/97/24/682309724.db2.gz	DNFHOTIAYVURDT-UHFFFAOYSA-N	1	1	374.242	2.362	20	30		FEEDMO
N#Cc1ccc(NC(=S)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1Cl	ZINC000853043427	682367463	/nfs/dbraw/zinc/36/74/63/682367463.db2.gz	KEDHOHDSHAVOGM-OAHLLOKOSA-N	1	1	364.902	2.439	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000971718396	682369382	/nfs/dbraw/zinc/36/93/82/682369382.db2.gz	DRNSAURSIRIOSL-DAXOMENPSA-N	1	1	355.467	2.179	20	30		FEEDMO
O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000790542525	682684442	/nfs/dbraw/zinc/68/44/42/682684442.db2.gz	KAGJBNHEFPQBQG-HOTGVXAUSA-N	1	1	352.356	2.036	20	30		FEEDMO
O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000790542535	682684508	/nfs/dbraw/zinc/68/45/08/682684508.db2.gz	KAGJBNHEFPQBQG-JKSUJKDBSA-N	1	1	352.356	2.036	20	30		FEEDMO
C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](CS(C)(=O)=O)C2)c1O	ZINC000793702373	682904957	/nfs/dbraw/zinc/90/49/57/682904957.db2.gz	YJYOAPVBCZCDLL-CQSZACIVSA-N	1	1	353.484	2.386	20	30		FEEDMO
C=C[C@H](C(=O)OC)[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C	ZINC000860040320	683192464	/nfs/dbraw/zinc/19/24/64/683192464.db2.gz	NGBBAOUDKWQHBB-NPJQDHAYSA-N	1	1	350.459	2.291	20	30		FEEDMO
C=C[C@H](C(=O)OC)[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C	ZINC000860040320	683192466	/nfs/dbraw/zinc/19/24/66/683192466.db2.gz	NGBBAOUDKWQHBB-NPJQDHAYSA-N	1	1	350.459	2.291	20	30		FEEDMO
O=C(COC(F)F)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1	ZINC000797160909	683227756	/nfs/dbraw/zinc/22/77/56/683227756.db2.gz	CNFXJRDIILBMGR-UHFFFAOYSA-N	1	1	353.365	2.043	20	30		FEEDMO
CC(C)(C#N)CS(=O)(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000919896541	683305965	/nfs/dbraw/zinc/30/59/65/683305965.db2.gz	XWWBFRZBOVJILX-ZWKOTPCHSA-N	1	1	361.511	2.320	20	30		FEEDMO
C=CCC(F)(F)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000927841484	683321717	/nfs/dbraw/zinc/32/17/17/683321717.db2.gz	FREWDZVVSLVVNS-UHFFFAOYSA-N	1	1	361.433	2.303	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C2)C1=O	ZINC000799145855	683427686	/nfs/dbraw/zinc/42/76/86/683427686.db2.gz	OLBQOWZWWPNBLX-JYJNAYRXSA-N	1	1	351.491	2.399	20	30		FEEDMO
CC(=NNCCC[NH+]1CCOCC1)c1cc(Br)ncc1F	ZINC000799489647	683460393	/nfs/dbraw/zinc/46/03/93/683460393.db2.gz	YETBXVCSGQJZEZ-UHFFFAOYSA-N	1	1	359.243	2.019	20	30		FEEDMO
CC[N@H+](C[C@H](C)C#N)C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1	ZINC000929429543	683595165	/nfs/dbraw/zinc/59/51/65/683595165.db2.gz	MXKYXIDTXBAMOS-ZIAGYGMSSA-N	1	1	351.447	2.021	20	30		FEEDMO
CC[N@@H+](C[C@H](C)C#N)C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1	ZINC000929429543	683595172	/nfs/dbraw/zinc/59/51/72/683595172.db2.gz	MXKYXIDTXBAMOS-ZIAGYGMSSA-N	1	1	351.447	2.021	20	30		FEEDMO
C=CC[N@@H+](C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000929975084	683664181	/nfs/dbraw/zinc/66/41/81/683664181.db2.gz	DMSDPIFLJCNWPB-XHSDSOJGSA-N	1	1	372.531	2.355	20	30		FEEDMO
C=CC[N@H+](C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000929975084	683664185	/nfs/dbraw/zinc/66/41/85/683664185.db2.gz	DMSDPIFLJCNWPB-XHSDSOJGSA-N	1	1	372.531	2.355	20	30		FEEDMO
C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC1CCC(C#N)CC1	ZINC000930668212	683767088	/nfs/dbraw/zinc/76/70/88/683767088.db2.gz	WJGXHSXQULRVLL-UHFFFAOYSA-N	1	1	369.462	2.114	20	30		FEEDMO
C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cc(F)cc(C#N)c2)C1	ZINC000866757064	684146182	/nfs/dbraw/zinc/14/61/82/684146182.db2.gz	ILIXWSAKCKEGFN-MRXNPFEDSA-N	1	1	359.426	2.379	20	30		FEEDMO
C=CCCSCCNC(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000923226570	684245123	/nfs/dbraw/zinc/24/51/23/684245123.db2.gz	CCALGIDRYDPJKX-MTNOOBJLSA-N	1	1	369.575	2.465	20	30		FEEDMO
[NH3+]CCOCCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000923532090	684299900	/nfs/dbraw/zinc/29/99/00/684299900.db2.gz	ZJVARFRIWRWPKX-YUMQZZPRSA-N	1	1	356.257	2.065	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)C1	ZINC000923565716	684306782	/nfs/dbraw/zinc/30/67/82/684306782.db2.gz	DZCOMEGJDZXTOB-CQSZACIVSA-N	1	1	359.857	2.294	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)C1	ZINC000923565716	684306788	/nfs/dbraw/zinc/30/67/88/684306788.db2.gz	DZCOMEGJDZXTOB-CQSZACIVSA-N	1	1	359.857	2.294	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(OC)cc2Br)C1	ZINC000923583459	684308401	/nfs/dbraw/zinc/30/84/01/684308401.db2.gz	MWTDOTPBMVQIQO-LBPRGKRZSA-N	1	1	351.244	2.285	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC)cc2Br)C1	ZINC000923583459	684308405	/nfs/dbraw/zinc/30/84/05/684308405.db2.gz	MWTDOTPBMVQIQO-LBPRGKRZSA-N	1	1	351.244	2.285	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc(Br)cnc2C)C1	ZINC000931643102	684318075	/nfs/dbraw/zinc/31/80/75/684318075.db2.gz	IUGAEGZCIILXGR-CYBMUJFWSA-N	1	1	351.248	2.372	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(Br)cnc2C)C1	ZINC000931643102	684318081	/nfs/dbraw/zinc/31/80/81/684318081.db2.gz	IUGAEGZCIILXGR-CYBMUJFWSA-N	1	1	351.248	2.372	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC[C@H]21	ZINC000867812930	684397303	/nfs/dbraw/zinc/39/73/03/684397303.db2.gz	OEIAVHAOZLFXNT-IUODEOHRSA-N	1	1	373.400	2.292	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(Nc2c(Br)ccc(C)c2C#N)CC1	ZINC000872410249	684944395	/nfs/dbraw/zinc/94/43/95/684944395.db2.gz	VMYHYHNQKKAIIE-UHFFFAOYSA-N	1	1	365.275	2.252	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1	ZINC000877194190	686338654	/nfs/dbraw/zinc/33/86/54/686338654.db2.gz	CSACOACSNPYKRE-UHFFFAOYSA-N	1	1	369.262	2.109	20	30		FEEDMO
N#Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(F)cc1F	ZINC000880713804	687077939	/nfs/dbraw/zinc/07/79/39/687077939.db2.gz	YOXDIUKYRYUVRA-LBPRGKRZSA-N	1	1	350.369	2.022	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(Br)c(C#N)n2)CC[N@@H+]1C	ZINC000883099703	687564918	/nfs/dbraw/zinc/56/49/18/687564918.db2.gz	DGVSFELTJDGOBZ-ZJUUUORDSA-N	1	1	352.236	2.272	20	30		FEEDMO
C#CCC1(O)CCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CC1	ZINC000883142545	687575944	/nfs/dbraw/zinc/57/59/44/687575944.db2.gz	MNTBSIAYJZFEJS-OAHLLOKOSA-N	1	1	361.511	2.055	20	30		FEEDMO
C#CCC1(O)CCN(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CC1	ZINC000883142545	687575948	/nfs/dbraw/zinc/57/59/48/687575948.db2.gz	MNTBSIAYJZFEJS-OAHLLOKOSA-N	1	1	361.511	2.055	20	30		FEEDMO
C=C(C)CNc1nc(-c2cn(CC[N@H+]3CC[C@H](N(C)C)C3)nn2)cs1	ZINC000887467318	688431224	/nfs/dbraw/zinc/43/12/24/688431224.db2.gz	NBZWFHVDUDHGPJ-AWEZNQCLSA-N	1	1	361.519	2.026	20	30		FEEDMO
C=C(C)CNc1nc(-c2cn(CC[N@@H+]3CC[C@H](N(C)C)C3)nn2)cs1	ZINC000887467318	688431229	/nfs/dbraw/zinc/43/12/29/688431229.db2.gz	NBZWFHVDUDHGPJ-AWEZNQCLSA-N	1	1	361.519	2.026	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNC(=O)Nc2nc(Cl)c(C#N)s2)CCCO1	ZINC000888419332	688608667	/nfs/dbraw/zinc/60/86/67/688608667.db2.gz	OVXGAIJQXIUGOL-JTQLQIEISA-N	1	1	357.867	2.291	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCSC[C@H]2c2nccs2)C1	ZINC000890366702	688910751	/nfs/dbraw/zinc/91/07/51/688910751.db2.gz	CIGLNNTUHUTJTR-KGLIPLIRSA-N	1	1	350.513	2.040	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCSC[C@H]2c2nccs2)C1	ZINC000890366702	688910755	/nfs/dbraw/zinc/91/07/55/688910755.db2.gz	CIGLNNTUHUTJTR-KGLIPLIRSA-N	1	1	350.513	2.040	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)c1ccccc1Cl	ZINC000891551730	689076920	/nfs/dbraw/zinc/07/69/20/689076920.db2.gz	JLLOMKCHBDQUQP-WBVHZDCISA-N	1	1	350.850	2.267	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1nc(C#N)cs1	ZINC000894231967	689491178	/nfs/dbraw/zinc/49/11/78/689491178.db2.gz	AOXKLFWLWMGWJO-CZUORRHYSA-N	1	1	355.467	2.334	20	30		FEEDMO
CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cccc(F)c2C#N)CCC1	ZINC000896283744	689849371	/nfs/dbraw/zinc/84/93/71/689849371.db2.gz	TXMFQPNKJGCISU-UHFFFAOYSA-N	1	1	353.463	2.428	20	30		FEEDMO
C[C@@H](CNC(=O)c1cccc(C#CCO)c1)[N@@H+]1CCc2sccc2C1	ZINC000900157734	690477121	/nfs/dbraw/zinc/47/71/21/690477121.db2.gz	IEKXIXYLJQWKRZ-HNNXBMFYSA-N	1	1	354.475	2.269	20	30		FEEDMO
C[C@@H](CNC(=O)c1cccc(C#CCO)c1)[N@H+]1CCc2sccc2C1	ZINC000900157734	690477123	/nfs/dbraw/zinc/47/71/23/690477123.db2.gz	IEKXIXYLJQWKRZ-HNNXBMFYSA-N	1	1	354.475	2.269	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)C1=O	ZINC000902457506	690767677	/nfs/dbraw/zinc/76/76/77/690767677.db2.gz	UAWSWVLCJNXASM-HNNXBMFYSA-N	1	1	352.479	2.104	20	30		FEEDMO
CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)c(Cl)c2)C1	ZINC000908046418	691604928	/nfs/dbraw/zinc/60/49/28/691604928.db2.gz	RWOLWBOKFBTGOO-OAHLLOKOSA-N	1	1	363.845	2.103	20	30		FEEDMO
CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)c(Cl)c2)C1	ZINC000908046418	691604929	/nfs/dbraw/zinc/60/49/29/691604929.db2.gz	RWOLWBOKFBTGOO-OAHLLOKOSA-N	1	1	363.845	2.103	20	30		FEEDMO
C=CCn1c(Cc2nc(C)cs2)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	ZINC000908690889	691714011	/nfs/dbraw/zinc/71/40/11/691714011.db2.gz	AUIHSHHYDIJLPA-KDOFPFPSSA-N	1	1	358.515	2.208	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(C(C)C)ccc3C#N)CC[C@@H]2C1	ZINC001164855073	720837630	/nfs/dbraw/zinc/83/76/30/720837630.db2.gz	SRUXYDDBGZPOIQ-IEBWSBKVSA-N	1	1	358.486	2.250	20	30		FEEDMO
Cc1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(C=NO)c1	ZINC001164877037	721123322	/nfs/dbraw/zinc/12/33/22/721123322.db2.gz	OFEXVUDMUYUOPJ-MOPGFXCFSA-N	1	1	367.453	2.073	20	30		FEEDMO
Cc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1CC#N	ZINC001164880933	721156194	/nfs/dbraw/zinc/15/61/94/721156194.db2.gz	XWMRUFATBLHSFS-VQTJNVASSA-N	1	1	363.465	2.331	20	30		FEEDMO
Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(C#N)c1	ZINC001164887197	721387014	/nfs/dbraw/zinc/38/70/14/721387014.db2.gz	HHGRTRHEPGNZPW-TZIWHRDSSA-N	1	1	369.513	2.027	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)cc(Cl)c1C#N	ZINC001164932883	721887478	/nfs/dbraw/zinc/88/74/78/721887478.db2.gz	KEIMEBYVBHIQJO-KBPBESRZSA-N	1	1	354.285	2.475	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(Cl)cc(Cl)c1C#N	ZINC001164932883	721887479	/nfs/dbraw/zinc/88/74/79/721887479.db2.gz	KEIMEBYVBHIQJO-KBPBESRZSA-N	1	1	354.285	2.475	20	30		FEEDMO
CSc1nc(Cl)c(C#N)c(N2CC[NH+](CCc3ccccn3)CC2)n1	ZINC001165053632	722008194	/nfs/dbraw/zinc/00/81/94/722008194.db2.gz	BINKHTWGKBORAG-UHFFFAOYSA-N	1	1	374.901	2.483	20	30		FEEDMO
Cc1cc(C#N)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164980351	722150165	/nfs/dbraw/zinc/15/01/65/722150165.db2.gz	NEEFZUIUTZFUSB-PMACEKPBSA-N	1	1	363.465	2.384	20	30		FEEDMO
Cc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)cc1	ZINC000025226487	539752181	/nfs/dbraw/zinc/75/21/81/539752181.db2.gz	OPTGKCZRMLLAQZ-OAQYLSRUSA-N	1	1	365.477	2.424	20	30		FEEDMO
C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1N1CCOCC1	ZINC000027552183	539809055	/nfs/dbraw/zinc/80/90/55/539809055.db2.gz	YYHPKHMFJYKHFQ-UHFFFAOYSA-N	1	1	370.497	2.298	20	30		FEEDMO
C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccccc1N1CCOCC1	ZINC000027552183	539809058	/nfs/dbraw/zinc/80/90/58/539809058.db2.gz	YYHPKHMFJYKHFQ-UHFFFAOYSA-N	1	1	370.497	2.298	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccccc1N1CCOCC1	ZINC000027552019	539809651	/nfs/dbraw/zinc/80/96/51/539809651.db2.gz	VPYCWBINQVAICY-FQEVSTJZSA-N	1	1	358.486	2.009	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccccc1N1CCOCC1	ZINC000027552019	539809655	/nfs/dbraw/zinc/80/96/55/539809655.db2.gz	VPYCWBINQVAICY-FQEVSTJZSA-N	1	1	358.486	2.009	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000029754174	539863876	/nfs/dbraw/zinc/86/38/76/539863876.db2.gz	MGCWHBHMNIVLLQ-QGZVFWFLSA-N	1	1	371.481	2.477	20	30		FEEDMO
C=CCOc1ccc(C(=O)NCCC[NH+]2CCN(CC)CC2)cc1OC	ZINC000041442488	540021556	/nfs/dbraw/zinc/02/15/56/540021556.db2.gz	HOHXBVGRHLTWOF-UHFFFAOYSA-N	1	1	361.486	2.017	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1	ZINC000041956612	540042247	/nfs/dbraw/zinc/04/22/47/540042247.db2.gz	FRKNINVGPXUXKT-HNNXBMFYSA-N	1	1	362.433	2.060	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1	ZINC000041956612	540042249	/nfs/dbraw/zinc/04/22/49/540042249.db2.gz	FRKNINVGPXUXKT-HNNXBMFYSA-N	1	1	362.433	2.060	20	30		FEEDMO
CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000042123115	540052274	/nfs/dbraw/zinc/05/22/74/540052274.db2.gz	GSRUYHUKFFCASM-IBGZPJMESA-N	1	1	353.422	2.388	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)N1CC[NH+](CCOc2ccccc2)CC1	ZINC000042384953	540061643	/nfs/dbraw/zinc/06/16/43/540061643.db2.gz	JSLCGWDNIJWSNJ-LJQANCHMSA-N	1	1	357.498	2.272	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC2(CC1)OCCO2	ZINC000045750484	540224983	/nfs/dbraw/zinc/22/49/83/540224983.db2.gz	HNWMJPREKBKGTI-INIZCTEOSA-N	1	1	373.453	2.169	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1	ZINC000046380715	540254790	/nfs/dbraw/zinc/25/47/90/540254790.db2.gz	XQJMPSMPIYCXJS-MRXNPFEDSA-N	1	1	373.476	2.261	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000046997745	540283684	/nfs/dbraw/zinc/28/36/84/540283684.db2.gz	MMFVHQMEAIRVPP-DLBZAZTESA-N	1	1	357.454	2.469	20	30		FEEDMO
Cc1ccnc(NC(=O)C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1	ZINC000047261778	540299695	/nfs/dbraw/zinc/29/96/95/540299695.db2.gz	HWMJMPICPHVACV-HXUWFJFHSA-N	1	1	371.485	2.095	20	30		FEEDMO
COc1cc(NC(=O)CO[NH+]=C(N)C2CCCC2)cc(OC)c1OC	ZINC000047272661	540300975	/nfs/dbraw/zinc/30/09/75/540300975.db2.gz	KPFHYRPONWTABD-UHFFFAOYSA-N	1	1	351.403	2.130	20	30		FEEDMO
CC(=O)NCC1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1	ZINC000047772601	540327571	/nfs/dbraw/zinc/32/75/71/540327571.db2.gz	PFAWUWMWENGBBK-UHFFFAOYSA-N	1	1	370.497	2.398	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1	ZINC000048159988	540348304	/nfs/dbraw/zinc/34/83/04/540348304.db2.gz	PXRYHNSIEGVJLO-GOSISDBHSA-N	1	1	374.485	2.081	20	30		FEEDMO
CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000051581396	540438687	/nfs/dbraw/zinc/43/86/87/540438687.db2.gz	PPCSUGZUBPJMGB-OALUTQOASA-N	1	1	373.497	2.121	20	30		FEEDMO
CCCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000051801447	540445084	/nfs/dbraw/zinc/44/50/84/540445084.db2.gz	KUPCLHLFNZRQGH-OXJNMPFZSA-N	1	1	364.534	2.448	20	30		FEEDMO
CC(=O)NCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000052848922	540493563	/nfs/dbraw/zinc/49/35/63/540493563.db2.gz	DMCYRSAEAUNJQB-LBPRGKRZSA-N	1	1	362.861	2.387	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1	ZINC000052747960	540487022	/nfs/dbraw/zinc/48/70/22/540487022.db2.gz	KJCYWFNBCHBLDP-MRXNPFEDSA-N	1	1	370.497	2.197	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1	ZINC000054286798	540580827	/nfs/dbraw/zinc/58/08/27/540580827.db2.gz	ULANWCGWGMEQSE-CQSZACIVSA-N	1	1	372.513	2.423	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNS(=O)(=O)N(C)CCC#N)cc2)C1	ZINC000056058514	540697888	/nfs/dbraw/zinc/69/78/88/540697888.db2.gz	KFZQCEJVCREUMC-MRXNPFEDSA-N	1	1	364.515	2.098	20	30		FEEDMO
N#Cc1ccc(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1	ZINC000056965771	540758911	/nfs/dbraw/zinc/75/89/11/540758911.db2.gz	NLEKXNZBGVRGIE-UHFFFAOYSA-N	1	1	352.413	2.249	20	30		FEEDMO
C=CCN(CC(F)(F)F)C(=O)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000058272230	540837031	/nfs/dbraw/zinc/83/70/31/540837031.db2.gz	HRVZLKXAMROLLV-UHFFFAOYSA-N	1	1	355.404	2.381	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000066835467	541377456	/nfs/dbraw/zinc/37/74/56/541377456.db2.gz	NCUOOSFONPDRFG-KRWDZBQOSA-N	1	1	357.454	2.435	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000066835467	541377458	/nfs/dbraw/zinc/37/74/58/541377458.db2.gz	NCUOOSFONPDRFG-KRWDZBQOSA-N	1	1	357.454	2.435	20	30		FEEDMO
N#CCN1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1	ZINC000067480595	541469949	/nfs/dbraw/zinc/46/99/49/541469949.db2.gz	AGWFXENUZMWAGN-IBGZPJMESA-N	1	1	361.534	2.318	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1	ZINC000072831960	541875732	/nfs/dbraw/zinc/87/57/32/541875732.db2.gz	YMMMDAOSWPSXHW-HNAYVOBHSA-N	1	1	361.511	2.253	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC2(C1)CCOCC2	ZINC000072899197	541890501	/nfs/dbraw/zinc/89/05/01/541890501.db2.gz	ZGSDIRSKAWHDDJ-UHFFFAOYSA-N	1	1	365.437	2.185	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC2(C1)CCOCC2	ZINC000072899197	541890506	/nfs/dbraw/zinc/89/05/06/541890506.db2.gz	ZGSDIRSKAWHDDJ-UHFFFAOYSA-N	1	1	365.437	2.185	20	30		FEEDMO
C[NH+](C)CC(=O)Nc1ccc(NC(=O)COc2ccc(C#N)cc2)cc1	ZINC000073305416	541940542	/nfs/dbraw/zinc/94/05/42/541940542.db2.gz	XLQIQJOOJPKTEI-UHFFFAOYSA-N	1	1	352.394	2.076	20	30		FEEDMO
Cn1cc[nH+]c1N1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000075053026	542149012	/nfs/dbraw/zinc/14/90/12/542149012.db2.gz	IGGFCKPTIZKKIJ-UHFFFAOYSA-N	1	1	363.381	2.075	20	30		FEEDMO
CCCNC(=O)C1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1	ZINC000075596462	542191779	/nfs/dbraw/zinc/19/17/79/542191779.db2.gz	TVJASEQPYVEUEP-UHFFFAOYSA-N	1	1	353.426	2.346	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000076333665	542262631	/nfs/dbraw/zinc/26/26/31/542262631.db2.gz	NSRRVZOUTOOPKJ-KGLIPLIRSA-N	1	1	372.494	2.230	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000076333664	542262816	/nfs/dbraw/zinc/26/28/16/542262816.db2.gz	NSRRVZOUTOOPKJ-UONOGXRCSA-N	1	1	372.494	2.230	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCC)C1	ZINC000076660049	542307649	/nfs/dbraw/zinc/30/76/49/542307649.db2.gz	IEARKCSKVVDGSU-INIZCTEOSA-N	1	1	372.469	2.086	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)c1ccsc1	ZINC000077538815	542394372	/nfs/dbraw/zinc/39/43/72/542394372.db2.gz	KRBLOVMHYJKRNT-OAHLLOKOSA-N	1	1	360.414	2.116	20	30		FEEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)NCCCCN1CC[NH+](C)CC1	ZINC000077644309	542404358	/nfs/dbraw/zinc/40/43/58/542404358.db2.gz	NWBAWILDIXZIJJ-UHFFFAOYSA-N	1	1	369.513	2.283	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1	ZINC000078955703	542490536	/nfs/dbraw/zinc/49/05/36/542490536.db2.gz	RRTMFPRXGFOWTM-GOSISDBHSA-N	1	1	369.440	2.454	20	30		FEEDMO
C=CCOCCCC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000079862163	542545724	/nfs/dbraw/zinc/54/57/24/542545724.db2.gz	FTYPBEANDQYLMI-KRWDZBQOSA-N	1	1	359.470	2.305	20	30		FEEDMO
CC(C)c1[nH+]ccn1CCC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000081238653	542640324	/nfs/dbraw/zinc/64/03/24/542640324.db2.gz	TVRBUAYGYXVVCU-UHFFFAOYSA-N	1	1	352.442	2.012	20	30		FEEDMO
CC(C)OCC[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000081639500	542670584	/nfs/dbraw/zinc/67/05/84/542670584.db2.gz	HLNNTXRFNNMPKI-LJQANCHMSA-N	1	1	372.513	2.364	20	30		FEEDMO
C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCCc1[nH]nc(N)c1C#N	ZINC000089942837	542775855	/nfs/dbraw/zinc/77/58/55/542775855.db2.gz	VUYNKBPWKDNMNM-UHFFFAOYSA-N	1	1	358.402	2.105	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1	ZINC000092217526	542848931	/nfs/dbraw/zinc/84/89/31/542848931.db2.gz	MPLMLZSYMSRQCO-UHFFFAOYSA-N	1	1	367.497	2.425	20	30		FEEDMO
C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cnc2ccc(C#N)cn12	ZINC000092585513	542872820	/nfs/dbraw/zinc/87/28/20/542872820.db2.gz	VKDMPBAMGQVNGQ-ZDUSSCGKSA-N	1	1	369.450	2.046	20	30		FEEDMO
C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12	ZINC000092585513	542872823	/nfs/dbraw/zinc/87/28/23/542872823.db2.gz	VKDMPBAMGQVNGQ-ZDUSSCGKSA-N	1	1	369.450	2.046	20	30		FEEDMO
CCN1CCN([C@H]2CC[N@H+](Cc3ccc(N(C)CCC#N)cc3)C2)CC1	ZINC000093133173	542911292	/nfs/dbraw/zinc/91/12/92/542911292.db2.gz	GZBLVIURDMLAQO-NRFANRHFSA-N	1	1	355.530	2.248	20	30		FEEDMO
CCN1CCN([C@H]2CC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)CC1	ZINC000093133173	542911296	/nfs/dbraw/zinc/91/12/96/542911296.db2.gz	GZBLVIURDMLAQO-NRFANRHFSA-N	1	1	355.530	2.248	20	30		FEEDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000103284920	543101242	/nfs/dbraw/zinc/10/12/42/543101242.db2.gz	WPZRKSCFPJAPSC-UONOGXRCSA-N	1	1	362.861	2.172	20	30		FEEDMO
CC(C)[C@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000104062990	543122461	/nfs/dbraw/zinc/12/24/61/543122461.db2.gz	WMFTYWBGMQHWON-KRWDZBQOSA-N	1	1	374.510	2.284	20	30		FEEDMO
CC(C)[C@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000104062990	543122462	/nfs/dbraw/zinc/12/24/62/543122462.db2.gz	WMFTYWBGMQHWON-KRWDZBQOSA-N	1	1	374.510	2.284	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C[C@@H](C)O1	ZINC000104714436	543138481	/nfs/dbraw/zinc/13/84/81/543138481.db2.gz	AOPMDVQSVINAMJ-HZPDHXFCSA-N	1	1	357.454	2.037	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O	ZINC000105316075	543170724	/nfs/dbraw/zinc/17/07/24/543170724.db2.gz	YPYHNTUFIGNXRQ-SJLPKXTDSA-N	1	1	354.454	2.024	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(C#N)cn2)C[C@H](C)O1	ZINC000107452212	543270830	/nfs/dbraw/zinc/27/08/30/543270830.db2.gz	OGOFUQYYJPEJPI-IYBDPMFKSA-N	1	1	364.449	2.492	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccc(C#N)cn2)C[C@H](C)O1	ZINC000107452212	543270831	/nfs/dbraw/zinc/27/08/31/543270831.db2.gz	OGOFUQYYJPEJPI-IYBDPMFKSA-N	1	1	364.449	2.492	20	30		FEEDMO
COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)cn3)CC2)cc1	ZINC000107546193	543272278	/nfs/dbraw/zinc/27/22/78/543272278.db2.gz	JBDCRTWCJBDJPQ-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)cn3)CC2)cc1	ZINC000107546193	543272282	/nfs/dbraw/zinc/27/22/82/543272282.db2.gz	JBDCRTWCJBDJPQ-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C(C)C)C3CCCC3)CC2)o1	ZINC000108365707	543287585	/nfs/dbraw/zinc/28/75/85/543287585.db2.gz	VZGFXHOLBMHCBL-UHFFFAOYSA-N	1	1	359.474	2.156	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000108617690	543298219	/nfs/dbraw/zinc/29/82/19/543298219.db2.gz	UJYARQCMLKFGKS-KRWDZBQOSA-N	1	1	357.454	2.181	20	30		FEEDMO
CC[N@H+]1CC[C@@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1	ZINC000109259249	543319398	/nfs/dbraw/zinc/31/93/98/543319398.db2.gz	YRDHATHJMQHDCH-KRWDZBQOSA-N	1	1	356.470	2.171	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[NH+](C4CC4)CC3)C2)c(F)c1	ZINC000109403926	543324203	/nfs/dbraw/zinc/32/42/03/543324203.db2.gz	JZKONLQHPUHHGK-MRXNPFEDSA-N	1	1	371.460	2.156	20	30		FEEDMO
CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000110274314	543354303	/nfs/dbraw/zinc/35/43/03/543354303.db2.gz	HYAQCIGLJGOVLZ-KRWDZBQOSA-N	1	1	362.518	2.300	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1	ZINC000111696442	543412978	/nfs/dbraw/zinc/41/29/78/543412978.db2.gz	OJGUONTZRGRBNT-RBUKOAKNSA-N	1	1	358.482	2.242	20	30		FEEDMO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1	ZINC000112512221	543450321	/nfs/dbraw/zinc/45/03/21/543450321.db2.gz	YKADQAOXVLWKHK-QGZVFWFLSA-N	1	1	370.497	2.075	20	30		FEEDMO
C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000113259035	543480025	/nfs/dbraw/zinc/48/00/25/543480025.db2.gz	BKASIFHWPVPXHY-NEPJUHHUSA-N	1	1	371.890	2.294	20	30		FEEDMO
C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000113259035	543480028	/nfs/dbraw/zinc/48/00/28/543480028.db2.gz	BKASIFHWPVPXHY-NEPJUHHUSA-N	1	1	371.890	2.294	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)CC[NH+]1CCOCC1	ZINC000114368361	543511130	/nfs/dbraw/zinc/51/11/30/543511130.db2.gz	OZANEAAWAORRAC-APWZRJJASA-N	1	1	359.470	2.189	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C(C)C)CC3)CC2)o1	ZINC000114729059	543534074	/nfs/dbraw/zinc/53/40/74/543534074.db2.gz	WYVXMJZYRKPYIW-QGZVFWFLSA-N	1	1	373.501	2.261	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(C#N)nc3)c2)CCO1	ZINC000115345087	543561149	/nfs/dbraw/zinc/56/11/49/543561149.db2.gz	PSBPBGCBFYYPES-OAHLLOKOSA-N	1	1	350.422	2.104	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(C#N)nc3)c2)CCO1	ZINC000115345087	543561152	/nfs/dbraw/zinc/56/11/52/543561152.db2.gz	PSBPBGCBFYYPES-OAHLLOKOSA-N	1	1	350.422	2.104	20	30		FEEDMO
N#Cc1ccc([C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)C(N)=O)cc1	ZINC000115600168	543577962	/nfs/dbraw/zinc/57/79/62/543577962.db2.gz	KGKLWNQAKFAHCX-SFHVURJKSA-N	1	1	372.538	2.426	20	30		FEEDMO
N#Cc1ccc([C@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C(N)=O)cc1	ZINC000115598097	543577446	/nfs/dbraw/zinc/57/74/46/543577446.db2.gz	PQVRYUDSJOJNQF-NRFANRHFSA-N	1	1	372.428	2.084	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CCC[N@H+](C2CC2)CC1	ZINC000116194744	543604132	/nfs/dbraw/zinc/60/41/32/543604132.db2.gz	JVICQKAVRCMXRR-UHFFFAOYSA-N	1	1	357.454	2.423	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000118113910	543645926	/nfs/dbraw/zinc/64/59/26/543645926.db2.gz	NLWWFZYRTGEISZ-MRXNPFEDSA-N	1	1	360.433	2.407	20	30		FEEDMO
C=CC[C@H](C)NC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000116971448	543620492	/nfs/dbraw/zinc/62/04/92/543620492.db2.gz	BLFPLCBEYJLEDO-YJBOKZPZSA-N	1	1	358.486	2.148	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1	ZINC000118898985	543661861	/nfs/dbraw/zinc/66/18/61/543661861.db2.gz	YXSRGFOMCATKJQ-LSDHHAIUSA-N	1	1	374.510	2.477	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1	ZINC000118975105	543662471	/nfs/dbraw/zinc/66/24/71/543662471.db2.gz	KYBCBHDYDUHPEH-OAHLLOKOSA-N	1	1	370.482	2.244	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1	ZINC000118975105	543662476	/nfs/dbraw/zinc/66/24/76/543662476.db2.gz	KYBCBHDYDUHPEH-OAHLLOKOSA-N	1	1	370.482	2.244	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](Cn2ccnn2)C1	ZINC000119449335	543667813	/nfs/dbraw/zinc/66/78/13/543667813.db2.gz	LLRWGLOJBZNXCF-PKOBYXMFSA-N	1	1	356.470	2.159	20	30		FEEDMO
C#CCCCCC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000119823307	543672748	/nfs/dbraw/zinc/67/27/48/543672748.db2.gz	LYBIKAHTNOKEDY-IBGZPJMESA-N	1	1	355.482	2.194	20	30		FEEDMO
C#CCCCCC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000119823473	543672895	/nfs/dbraw/zinc/67/28/95/543672895.db2.gz	LYBIKAHTNOKEDY-LJQANCHMSA-N	1	1	355.482	2.194	20	30		FEEDMO
COCCOc1cccc(C[NH+]2CCN(c3ncccc3C#N)CC2)c1	ZINC000122914424	543731044	/nfs/dbraw/zinc/73/10/44/543731044.db2.gz	CZIAAJOKEOXWBR-UHFFFAOYSA-N	1	1	352.438	2.301	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000123373263	543757751	/nfs/dbraw/zinc/75/77/51/543757751.db2.gz	QOCALLAWSMFYCI-KRWDZBQOSA-N	1	1	355.486	2.122	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000125343564	543876734	/nfs/dbraw/zinc/87/67/34/543876734.db2.gz	GFMOKXTUDURLEH-JFIYKMOQSA-N	1	1	372.513	2.193	20	30		FEEDMO
C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1	ZINC000126273318	543927326	/nfs/dbraw/zinc/92/73/26/543927326.db2.gz	SBIUOBPXFCJHKZ-ZWKOTPCHSA-N	1	1	366.527	2.312	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H](C)C1	ZINC000125647570	543893591	/nfs/dbraw/zinc/89/35/91/543893591.db2.gz	FYEBJMIGXKTTNU-ABAIWWIYSA-N	1	1	357.426	2.187	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1	ZINC000125656389	543894391	/nfs/dbraw/zinc/89/43/91/543894391.db2.gz	QIWBYNZAQVLYFB-JTQLQIEISA-N	1	1	373.379	2.008	20	30		FEEDMO
N#Cc1cccc(COc2cccc(CN3CCN(CCO)CC3)c2)c1	ZINC000125759129	543900061	/nfs/dbraw/zinc/90/00/61/543900061.db2.gz	JDZUIEGCNFKHPV-UHFFFAOYSA-N	1	1	351.450	2.247	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000133496774	544272568	/nfs/dbraw/zinc/27/25/68/544272568.db2.gz	MRVMLVIPNXZVJE-CVEARBPZSA-N	1	1	358.442	2.163	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1	ZINC000135835343	544361727	/nfs/dbraw/zinc/36/17/27/544361727.db2.gz	KOXGYATVZMXTMU-AWEZNQCLSA-N	1	1	360.433	2.264	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1cccc(F)c1	ZINC000151017245	544496381	/nfs/dbraw/zinc/49/63/81/544496381.db2.gz	ODISMBIUVLGQQV-INIZCTEOSA-N	1	1	365.405	2.418	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1ccc(F)cc1	ZINC000151087276	544504156	/nfs/dbraw/zinc/50/41/56/544504156.db2.gz	NHUZGCDQFISFBH-MRXNPFEDSA-N	1	1	365.405	2.418	20	30		FEEDMO
CN1CCN([C@@H]2CCCC[N@@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000152296674	544635288	/nfs/dbraw/zinc/63/52/88/544635288.db2.gz	ACWRVIFLPSRTPF-HXUWFJFHSA-N	1	1	356.514	2.429	20	30		FEEDMO
C#CCCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000152176386	544622208	/nfs/dbraw/zinc/62/22/08/544622208.db2.gz	SOKCSSZZBJCEFY-QGZVFWFLSA-N	1	1	359.470	2.381	20	30		FEEDMO
C#CCCCCNC(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000152176386	544622209	/nfs/dbraw/zinc/62/22/09/544622209.db2.gz	SOKCSSZZBJCEFY-QGZVFWFLSA-N	1	1	359.470	2.381	20	30		FEEDMO
CCO[C@H]1C[C@H](O)C12CC[NH+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2	ZINC000152825108	544700449	/nfs/dbraw/zinc/70/04/49/544700449.db2.gz	QDZXHSILDHSWTE-WBAXXEDZSA-N	1	1	357.454	2.137	20	30		FEEDMO
Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153328478	544762625	/nfs/dbraw/zinc/76/26/25/544762625.db2.gz	GCGLQKYZPBTZAH-AWEZNQCLSA-N	1	1	354.458	2.372	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@]3(CCOC3)C2)cc1	ZINC000153761522	544819820	/nfs/dbraw/zinc/81/98/20/544819820.db2.gz	WWAXRAGVZYKQDI-FQEVSTJZSA-N	1	1	357.454	2.444	20	30		FEEDMO
CNC(=O)[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(C)C	ZINC000183637007	327827889	/nfs/dbraw/zinc/82/78/89/327827889.db2.gz	PFCQSYJOSGKCGO-INIZCTEOSA-N	1	1	362.499	2.187	20	30		FEEDMO
C[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1CC(C)(C)O	ZINC000188631006	328099854	/nfs/dbraw/zinc/09/98/54/328099854.db2.gz	JKCWUXZBPXNWHX-OAHLLOKOSA-N	1	1	361.511	2.095	20	30		FEEDMO
C[C@@H]1CN(C(=O)CSCc2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O	ZINC000188631006	328099855	/nfs/dbraw/zinc/09/98/55/328099855.db2.gz	JKCWUXZBPXNWHX-OAHLLOKOSA-N	1	1	361.511	2.095	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1	ZINC000188672756	328103400	/nfs/dbraw/zinc/10/34/00/328103400.db2.gz	VGJKSBVIZSMIOZ-VQIMIIECSA-N	1	1	373.497	2.265	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cncc(Cl)n3)CC2)cc1	ZINC000188918486	328117675	/nfs/dbraw/zinc/11/76/75/328117675.db2.gz	HBLSTCNSLLHFPW-UHFFFAOYSA-N	1	1	355.829	2.350	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cncc(Cl)n3)CC2)cc1	ZINC000188918486	328117676	/nfs/dbraw/zinc/11/76/76/328117676.db2.gz	HBLSTCNSLLHFPW-UHFFFAOYSA-N	1	1	355.829	2.350	20	30		FEEDMO
C[C@H]1C(=O)NCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000189341632	328142045	/nfs/dbraw/zinc/14/20/45/328142045.db2.gz	OTCAWJPNARXAHL-ZDUSSCGKSA-N	1	1	374.510	2.428	20	30		FEEDMO
C[C@H]1C(=O)NCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000189341632	328142046	/nfs/dbraw/zinc/14/20/46/328142046.db2.gz	OTCAWJPNARXAHL-ZDUSSCGKSA-N	1	1	374.510	2.428	20	30		FEEDMO
Cn1cc(CNc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)cc1C#N	ZINC000191421928	328264956	/nfs/dbraw/zinc/26/49/56/328264956.db2.gz	LKOFCAACBSZPQL-QGZVFWFLSA-N	1	1	351.454	2.206	20	30		FEEDMO
COc1ccnc(NC2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)n1	ZINC000191688382	328277201	/nfs/dbraw/zinc/27/72/01/328277201.db2.gz	XLKCPCMRIXRSNQ-UHFFFAOYSA-N	1	1	363.425	2.081	20	30		FEEDMO
COc1ccc(OC)c(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000192244395	328308690	/nfs/dbraw/zinc/30/86/90/328308690.db2.gz	GXJNUIQLBDWBJF-LJQANCHMSA-N	1	1	365.433	2.466	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]3C(N)=O)sc2C1	ZINC000192635727	328330078	/nfs/dbraw/zinc/33/00/78/328330078.db2.gz	NQFVJZJUASOJTK-SMDDNHRTSA-N	1	1	360.483	2.023	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H]3C(N)=O)sc2C1	ZINC000192635727	328330080	/nfs/dbraw/zinc/33/00/80/328330080.db2.gz	NQFVJZJUASOJTK-SMDDNHRTSA-N	1	1	360.483	2.023	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)CC[C@H]3CCCC[N@H+]3C)CC2)o1	ZINC000193369452	328370995	/nfs/dbraw/zinc/37/09/95/328370995.db2.gz	NMZPODHWEBCTQJ-QGZVFWFLSA-N	1	1	373.501	2.404	20	30		FEEDMO
C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cccc(C#N)c1	ZINC000007493789	324357021	/nfs/dbraw/zinc/35/70/21/324357021.db2.gz	HRLRIRULPMQMND-UHFFFAOYSA-N	1	1	364.449	2.465	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cccc(C#N)c1	ZINC000007493789	324357023	/nfs/dbraw/zinc/35/70/23/324357023.db2.gz	HRLRIRULPMQMND-UHFFFAOYSA-N	1	1	364.449	2.465	20	30		FEEDMO
COC(=O)[C@@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)c1cccc(C#N)c1	ZINC000083032470	325211214	/nfs/dbraw/zinc/21/12/14/325211214.db2.gz	NVOVPYMZGRUCEW-IBGZPJMESA-N	1	1	366.421	2.385	20	30		FEEDMO
CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943452	325343778	/nfs/dbraw/zinc/34/37/78/325343778.db2.gz	VQZWPWMJOWXKDS-OAHLLOKOSA-N	1	1	373.461	2.222	20	30		FEEDMO
C[C@H](c1cn(-c2ccccc2)nn1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943663	325344006	/nfs/dbraw/zinc/34/40/06/325344006.db2.gz	SJIJAZUYDUAKRG-CYBMUJFWSA-N	1	1	350.430	2.070	20	30		FEEDMO
N#Cc1cccc(OC2CC[NH+](CC(=O)NCc3cccnc3)CC2)c1	ZINC000111226370	325706166	/nfs/dbraw/zinc/70/61/66/325706166.db2.gz	SDWYSMSWDQHYJK-UHFFFAOYSA-N	1	1	350.422	2.113	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000118112934	326081907	/nfs/dbraw/zinc/08/19/07/326081907.db2.gz	ICPUITMSKYTMRQ-ZDUSSCGKSA-N	1	1	362.861	2.387	20	30		FEEDMO
CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)NC	ZINC000118832515	326105729	/nfs/dbraw/zinc/10/57/29/326105729.db2.gz	BCGJJTCDSSLQCV-UHFFFAOYSA-N	1	1	362.499	2.285	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C	ZINC000119295190	326146497	/nfs/dbraw/zinc/14/64/97/326146497.db2.gz	LVVLVMOIDJRBGH-YOEHRIQHSA-N	1	1	372.469	2.083	20	30		FEEDMO
C[C@@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000125713816	326476637	/nfs/dbraw/zinc/47/66/37/326476637.db2.gz	KKHHGJOSFLCABY-HNNXBMFYSA-N	1	1	370.478	2.457	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1c(F)cc(C#N)cc1F	ZINC000160262393	326959205	/nfs/dbraw/zinc/95/92/05/326959205.db2.gz	OSCAAXOPHFSFQU-UHFFFAOYSA-N	1	1	351.397	2.267	20	30		FEEDMO
CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000170645360	327090334	/nfs/dbraw/zinc/09/03/34/327090334.db2.gz	WHKNBTMXWAQGKO-OAHLLOKOSA-N	1	1	356.470	2.369	20	30		FEEDMO
CC[N@@H+](C)Cc1cccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)c1	ZINC000171115252	327118983	/nfs/dbraw/zinc/11/89/83/327118983.db2.gz	IJVJNEZIROJKRV-UHFFFAOYSA-N	1	1	364.449	2.056	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1	ZINC000172162607	327184858	/nfs/dbraw/zinc/18/48/58/327184858.db2.gz	QVJLFCXNMHIARB-QRVBRYPASA-N	1	1	354.454	2.095	20	30		FEEDMO
CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2	ZINC000173792739	327284223	/nfs/dbraw/zinc/28/42/23/327284223.db2.gz	WMWAWXPOYTVSRZ-DLBZAZTESA-N	1	1	368.437	2.360	20	30		FEEDMO
COCC[NH+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000174093592	327305905	/nfs/dbraw/zinc/30/59/05/327305905.db2.gz	RSRIKQGUDDVCHZ-UHFFFAOYSA-N	1	1	356.348	2.373	20	30		FEEDMO
C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C1	ZINC000174634896	327340404	/nfs/dbraw/zinc/34/04/04/327340404.db2.gz	MBKSEMCHVBJQEZ-LJQANCHMSA-N	1	1	351.406	2.406	20	30		FEEDMO
C[N@H+]1CCO[C@@H](C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C1	ZINC000174634896	327340406	/nfs/dbraw/zinc/34/04/06/327340406.db2.gz	MBKSEMCHVBJQEZ-LJQANCHMSA-N	1	1	351.406	2.406	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(c2[nH+]ccn2C)CC1	ZINC000266962969	329277505	/nfs/dbraw/zinc/27/75/05/329277505.db2.gz	XDBVWYPQOXNCOL-ZDUSSCGKSA-N	1	1	372.860	2.094	20	30		FEEDMO
CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000267572550	329339353	/nfs/dbraw/zinc/33/93/53/329339353.db2.gz	JCAOZDGNZOGYLV-UHFFFAOYSA-N	1	1	361.389	2.293	20	30		FEEDMO
CC[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000267572550	329339356	/nfs/dbraw/zinc/33/93/56/329339356.db2.gz	JCAOZDGNZOGYLV-UHFFFAOYSA-N	1	1	361.389	2.293	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000268161137	329391955	/nfs/dbraw/zinc/39/19/55/329391955.db2.gz	OMJUKSYCYSTRSF-LPHOPBHVSA-N	1	1	367.497	2.263	20	30		FEEDMO
COC(=O)c1ccccc1CC[NH+]1CCN(c2cc(C#N)ccn2)CC1	ZINC000274770570	329978609	/nfs/dbraw/zinc/97/86/09/329978609.db2.gz	MLBQPQUUUFTWIV-UHFFFAOYSA-N	1	1	350.422	2.105	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[N@@H+]3CCCC[C@H]3C)C2)n1	ZINC000377932280	330252896	/nfs/dbraw/zinc/25/28/96/330252896.db2.gz	OEKKYTXHUKKCDX-IEBWSBKVSA-N	1	1	369.513	2.469	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)n3C)CC2)cc1	ZINC000448639726	330280230	/nfs/dbraw/zinc/28/02/30/330280230.db2.gz	BIEZRBTZQJCZFN-UHFFFAOYSA-N	1	1	352.438	2.253	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(F)c(F)cc1Br	ZINC000804690426	674297498	/nfs/dbraw/zinc/29/74/98/674297498.db2.gz	WAVHBYRHRWVZBZ-AWEZNQCLSA-N	1	1	357.198	2.441	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(F)c(F)cc1Br	ZINC000804690426	674297500	/nfs/dbraw/zinc/29/75/00/674297500.db2.gz	WAVHBYRHRWVZBZ-AWEZNQCLSA-N	1	1	357.198	2.441	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)C2(C(=O)NC)CC2)[C@@H]1c1cnn(C)c1	ZINC000328626165	521614325	/nfs/dbraw/zinc/61/43/25/521614325.db2.gz	LLAOMJQUUGHLQL-GOEBONIOSA-N	1	1	361.490	2.018	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)cc1	ZINC000155878568	545579212	/nfs/dbraw/zinc/57/92/12/545579212.db2.gz	WHINTVVEHJILFB-LJQANCHMSA-N	1	1	363.465	2.052	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCn4ccnc4C3)CC2)cc1	ZINC000155878568	545579213	/nfs/dbraw/zinc/57/92/13/545579213.db2.gz	WHINTVVEHJILFB-LJQANCHMSA-N	1	1	363.465	2.052	20	30		FEEDMO
C[C@]1(CO)C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@@]1(C)CO	ZINC000528755394	562346021	/nfs/dbraw/zinc/34/60/21/562346021.db2.gz	RHZIHGNVNVHLEU-IYBDPMFKSA-N	1	1	353.260	2.134	20	30		FEEDMO
C[C@]1(CO)C[N@H+](Cc2cc(C#N)ccc2Br)C[C@@]1(C)CO	ZINC000528755394	562346022	/nfs/dbraw/zinc/34/60/22/562346022.db2.gz	RHZIHGNVNVHLEU-IYBDPMFKSA-N	1	1	353.260	2.134	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@H]1[NH+]1CCOCC1	ZINC000160716824	546065587	/nfs/dbraw/zinc/06/55/87/546065587.db2.gz	FVQJVDKPKLBWIW-NZSAHSFTSA-N	1	1	356.470	2.394	20	30		FEEDMO
CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000161256557	546113663	/nfs/dbraw/zinc/11/36/63/546113663.db2.gz	UXZITTKKYSERJP-UHFFFAOYSA-N	1	1	360.458	2.132	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000161259335	546113874	/nfs/dbraw/zinc/11/38/74/546113874.db2.gz	SUAUPGXVLBHYNG-AWEZNQCLSA-N	1	1	360.458	2.130	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](C)C[NH+]1CCOCC1	ZINC000163316681	546143882	/nfs/dbraw/zinc/14/38/82/546143882.db2.gz	YZZOHTCUYGHGDO-QGZVFWFLSA-N	1	1	361.486	2.361	20	30		FEEDMO
Cc1ccnc(N2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)c1	ZINC000164047746	546148644	/nfs/dbraw/zinc/14/86/44/546148644.db2.gz	WVTDKGKTPRTARD-IBGZPJMESA-N	1	1	366.465	2.018	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](CCC(N)=O)C1	ZINC000170734787	546174045	/nfs/dbraw/zinc/17/40/45/546174045.db2.gz	PBPZOYVRZZCCAI-DLBZAZTESA-N	1	1	356.470	2.299	20	30		FEEDMO
C=CCOc1ccccc1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1	ZINC000173296362	546277796	/nfs/dbraw/zinc/27/77/96/546277796.db2.gz	CYKRDVZLZZXWPO-GOSISDBHSA-N	1	1	357.498	2.494	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C(N)=O)sc2c1CCCCC2	ZINC000175602010	546318582	/nfs/dbraw/zinc/31/85/82/546318582.db2.gz	ABBZSPSAEAXPBU-CQSZACIVSA-N	1	1	360.483	2.167	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2C(N)=O)sc2c1CCCCC2	ZINC000175602010	546318586	/nfs/dbraw/zinc/31/85/86/546318586.db2.gz	ABBZSPSAEAXPBU-CQSZACIVSA-N	1	1	360.483	2.167	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000175781899	546349833	/nfs/dbraw/zinc/34/98/33/546349833.db2.gz	ZHFGFWFFBHKMNN-SFHVURJKSA-N	1	1	371.529	2.363	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000175969003	546381506	/nfs/dbraw/zinc/38/15/06/546381506.db2.gz	HNMPWKLKPLYMCA-HZSPNIEDSA-N	1	1	360.433	2.118	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000480719735	561215262	/nfs/dbraw/zinc/21/52/62/561215262.db2.gz	HKPWMPDNRPYQGO-UHFFFAOYSA-N	1	1	350.419	2.054	20	30		FEEDMO
CC(C)OCCN1CCC([NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000177484664	546628699	/nfs/dbraw/zinc/62/86/99/546628699.db2.gz	IVNBNXCRNQOPHG-MRXNPFEDSA-N	1	1	358.486	2.364	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1C(F)(F)F	ZINC000177628877	546656022	/nfs/dbraw/zinc/65/60/22/546656022.db2.gz	XVLAFCLERAADMZ-LLVKDONJSA-N	1	1	373.400	2.340	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1	ZINC000481131502	561225932	/nfs/dbraw/zinc/22/59/32/561225932.db2.gz	PBGVRBLNEGNHDQ-UHFFFAOYSA-N	1	1	358.417	2.361	20	30		FEEDMO
COC(=O)C[C@H]1CSCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180191322	547065327	/nfs/dbraw/zinc/06/53/27/547065327.db2.gz	VBBXYJUMPIJYAG-KRWDZBQOSA-N	1	1	370.478	2.439	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180200678	547066378	/nfs/dbraw/zinc/06/63/78/547066378.db2.gz	HUFARIWXRRQARN-SFHVURJKSA-N	1	1	365.481	2.113	20	30		FEEDMO
C=CCNc1ncc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)s1	ZINC000180353560	547090284	/nfs/dbraw/zinc/09/02/84/547090284.db2.gz	PROTZLNHLAPQKK-MRXNPFEDSA-N	1	1	372.494	2.238	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000180407411	547102523	/nfs/dbraw/zinc/10/25/23/547102523.db2.gz	RYDFWQSZUXHHTB-UONOGXRCSA-N	1	1	372.444	2.405	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@](C)(O)C2)c1C#N	ZINC000483057999	561266211	/nfs/dbraw/zinc/26/62/11/561266211.db2.gz	ZAUUBXJEHZCTFF-FQEVSTJZSA-N	1	1	370.453	2.403	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1	ZINC000483280068	561272648	/nfs/dbraw/zinc/27/26/48/561272648.db2.gz	SNRGEFUPWBEDLO-FZKQIMNGSA-N	1	1	360.483	2.074	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@](C)(C(N)=O)C1	ZINC000483280068	561272649	/nfs/dbraw/zinc/27/26/49/561272649.db2.gz	SNRGEFUPWBEDLO-FZKQIMNGSA-N	1	1	360.483	2.074	20	30		FEEDMO
CN(C(=O)c1ccc(NC(=O)c2c[nH]c(C#N)c2)cc1)[C@@H]1CCC[N@@H+](C)C1	ZINC000182162223	547446140	/nfs/dbraw/zinc/44/61/40/547446140.db2.gz	WYHABFHLYRHLDG-GOSISDBHSA-N	1	1	365.437	2.305	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](CCC(N)=O)C3)C2=O)cc1	ZINC000182738897	547544311	/nfs/dbraw/zinc/54/43/11/547544311.db2.gz	FKISOTVOHCMGHI-AEFFLSMTSA-N	1	1	354.454	2.031	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000182807122	547555335	/nfs/dbraw/zinc/55/53/35/547555335.db2.gz	OTDZIQNKWSOIIJ-ZDUSSCGKSA-N	1	1	357.380	2.301	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000183730705	547708420	/nfs/dbraw/zinc/70/84/20/547708420.db2.gz	ZJPSGCAMAJWANC-UHFFFAOYSA-N	1	1	352.847	2.475	20	30		FEEDMO
N#Cc1cccc(/C=C/C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1	ZINC000183784222	547719596	/nfs/dbraw/zinc/71/95/96/547719596.db2.gz	QDJRZYGAFVHSKQ-MHNQQFQPSA-N	1	1	361.445	2.454	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCOCC2(CCOCC2)C1	ZINC000184072291	547763863	/nfs/dbraw/zinc/76/38/63/547763863.db2.gz	QZNKGVBNBLYQCG-IBGZPJMESA-N	1	1	361.482	2.284	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1	ZINC000184618679	547855125	/nfs/dbraw/zinc/85/51/25/547855125.db2.gz	URFOGLLQMHEUIR-QGZVFWFLSA-N	1	1	362.470	2.347	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000184617761	547855358	/nfs/dbraw/zinc/85/53/58/547855358.db2.gz	YSLYOAKYIHAIAY-HZPDHXFCSA-N	1	1	359.474	2.125	20	30		FEEDMO
C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1nnnn1-c1ccccc1	ZINC000184823890	547882918	/nfs/dbraw/zinc/88/29/18/547882918.db2.gz	SEVZHLTWNYQDRQ-LBPRGKRZSA-N	1	1	367.438	2.275	20	30		FEEDMO
C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1nnnn1-c1ccccc1	ZINC000184823910	547883287	/nfs/dbraw/zinc/88/32/87/547883287.db2.gz	SEVZHLTWNYQDRQ-GFCCVEGCSA-N	1	1	367.438	2.275	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21	ZINC000184852364	547887424	/nfs/dbraw/zinc/88/74/24/547887424.db2.gz	DHFJUBWQRONWEK-INIZCTEOSA-N	1	1	371.462	2.248	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000185620953	548010418	/nfs/dbraw/zinc/01/04/18/548010418.db2.gz	YGHYURAZIFVLMK-UHFFFAOYSA-N	1	1	371.485	2.379	20	30		FEEDMO
C[C@H](C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl)N1CC[NH+](C)CC1	ZINC000186228690	548103932	/nfs/dbraw/zinc/10/39/32/548103932.db2.gz	ROIBTLAMDKEYDI-RISCZKNCSA-N	1	1	355.269	2.310	20	30		FEEDMO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[NH+](C[C@H](C)O)CC1	ZINC000189684909	548307551	/nfs/dbraw/zinc/30/75/51/548307551.db2.gz	FQILOJKFKICTQU-ZDUSSCGKSA-N	1	1	372.387	2.409	20	30		FEEDMO
N#CC1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1	ZINC000190734181	548334231	/nfs/dbraw/zinc/33/42/31/548334231.db2.gz	SFTBTRWZUJHAFK-LJQANCHMSA-N	1	1	356.470	2.223	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](CCc1ccccc1)Cc1cccnc1	ZINC000191343448	548343834	/nfs/dbraw/zinc/34/38/34/548343834.db2.gz	MGYWJHWBMGVHDJ-UHFFFAOYSA-N	1	1	352.438	2.138	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](CCc1ccccc1)Cc1cccnc1	ZINC000191343448	548343840	/nfs/dbraw/zinc/34/38/40/548343840.db2.gz	MGYWJHWBMGVHDJ-UHFFFAOYSA-N	1	1	352.438	2.138	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000245392179	548905294	/nfs/dbraw/zinc/90/52/94/548905294.db2.gz	SOSRPPQMNDJLTA-WBVHZDCISA-N	1	1	356.470	2.369	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000245392179	548905296	/nfs/dbraw/zinc/90/52/96/548905296.db2.gz	SOSRPPQMNDJLTA-WBVHZDCISA-N	1	1	356.470	2.369	20	30		FEEDMO
CCS[C@H]1CCCC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000245563197	548947616	/nfs/dbraw/zinc/94/76/16/548947616.db2.gz	PMKXNWHHCRMHKF-ZWKOTPCHSA-N	1	1	366.575	2.286	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Cc2cccc(OCC#N)c2)C[C@H](C)O1	ZINC000245628839	548961895	/nfs/dbraw/zinc/96/18/95/548961895.db2.gz	RUMXEYHMGMVAJX-ZIFCJYIRSA-N	1	1	371.481	2.232	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)[C@H]1c1ccccc1	ZINC000245667715	548970123	/nfs/dbraw/zinc/97/01/23/548970123.db2.gz	RJIXUJYSMVIPRA-SJLPKXTDSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2C#N)[C@H]1c1ccccc1	ZINC000245667715	548970126	/nfs/dbraw/zinc/97/01/26/548970126.db2.gz	RJIXUJYSMVIPRA-SJLPKXTDSA-N	1	1	359.426	2.421	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1	ZINC000246194240	549074026	/nfs/dbraw/zinc/07/40/26/549074026.db2.gz	XFWKSRICRVGSSJ-HUUCEWRRSA-N	1	1	369.469	2.451	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1	ZINC000246194240	549074033	/nfs/dbraw/zinc/07/40/33/549074033.db2.gz	XFWKSRICRVGSSJ-HUUCEWRRSA-N	1	1	369.469	2.451	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1	ZINC000246194240	549074036	/nfs/dbraw/zinc/07/40/36/549074036.db2.gz	XFWKSRICRVGSSJ-HUUCEWRRSA-N	1	1	369.469	2.451	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000246231287	549084441	/nfs/dbraw/zinc/08/44/41/549084441.db2.gz	GFMOKXTUDURLEH-RYRKJORJSA-N	1	1	372.513	2.193	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000246231279	549084786	/nfs/dbraw/zinc/08/47/86/549084786.db2.gz	GFMOKXTUDURLEH-NUJGCVRESA-N	1	1	372.513	2.193	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000246231295	549085059	/nfs/dbraw/zinc/08/50/59/549085059.db2.gz	GFMOKXTUDURLEH-SOLBZPMBSA-N	1	1	372.513	2.193	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1	ZINC000246343544	549110061	/nfs/dbraw/zinc/11/00/61/549110061.db2.gz	JINXPQICPKMGQB-MOPGFXCFSA-N	1	1	359.518	2.229	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1	ZINC000246459462	549137565	/nfs/dbraw/zinc/13/75/65/549137565.db2.gz	FQVRITARQINFCX-YQVWRLOYSA-N	1	1	356.422	2.479	20	30		FEEDMO
CCN(C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000488703362	561394835	/nfs/dbraw/zinc/39/48/35/561394835.db2.gz	VGMIDFKJPYZXJN-QZTJIDSGSA-N	1	1	372.513	2.005	20	30		FEEDMO
C[N@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000247023889	549267530	/nfs/dbraw/zinc/26/75/30/549267530.db2.gz	LZTFOYCDPFYTQO-CRICUBBOSA-N	1	1	358.463	2.167	20	30		FEEDMO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000489017538	561401726	/nfs/dbraw/zinc/40/17/26/561401726.db2.gz	FSQRNOBVHFQIEG-RTBURBONSA-N	1	1	353.466	2.287	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(c2nc(CC)ns2)CC1	ZINC000247220928	549301095	/nfs/dbraw/zinc/30/10/95/549301095.db2.gz	CTYBIPWXTSNOBJ-OAHLLOKOSA-N	1	1	363.531	2.202	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(c2nc(CC)ns2)CC1	ZINC000247220928	549301097	/nfs/dbraw/zinc/30/10/97/549301097.db2.gz	CTYBIPWXTSNOBJ-OAHLLOKOSA-N	1	1	363.531	2.202	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000248979846	549534213	/nfs/dbraw/zinc/53/42/13/549534213.db2.gz	VCEWRWMROMICEQ-OAGGEKHMSA-N	1	1	370.453	2.001	20	30		FEEDMO
C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000249163888	549564646	/nfs/dbraw/zinc/56/46/46/549564646.db2.gz	JUAWFAKLDCNKKK-MAUKXSAKSA-N	1	1	372.469	2.106	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000249841444	549632879	/nfs/dbraw/zinc/63/28/79/549632879.db2.gz	ZOEADNSSCYPLRA-WXNRQPJFSA-N	1	1	362.518	2.154	20	30		FEEDMO
CC[NH+]=C(NC[C@H]1CN(C)CCN1C)N[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000261965017	549774276	/nfs/dbraw/zinc/77/42/76/549774276.db2.gz	LETLMJQWLWXMMB-FUHWJXTLSA-N	1	1	373.545	2.090	20	30		FEEDMO
COCC[N@@H+](C)CCNC(=O)c1ccc(COc2ccccc2C#N)o1	ZINC000263708415	549923272	/nfs/dbraw/zinc/92/32/72/549923272.db2.gz	CZDVBGVMMGORKH-UHFFFAOYSA-N	1	1	357.410	2.038	20	30		FEEDMO
C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1nc(C2CC2)no1	ZINC000265552817	550011677	/nfs/dbraw/zinc/01/16/77/550011677.db2.gz	ZIDDUGYRYVMAHQ-SNVBAGLBSA-N	1	1	353.423	2.239	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)OCC	ZINC000270082436	550248044	/nfs/dbraw/zinc/24/80/44/550248044.db2.gz	VPUYWBIACBHZCL-ZWKOTPCHSA-N	1	1	360.502	2.080	20	30		FEEDMO
CC(C)N1CC[NH+](C2CCN(C(=O)NCc3cccc(C#N)c3)CC2)CC1	ZINC000270586158	550286862	/nfs/dbraw/zinc/28/68/62/550286862.db2.gz	JHQAIFWZEZQERQ-UHFFFAOYSA-N	1	1	369.513	2.258	20	30		FEEDMO
C[N@H+]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C(C)(C)C1	ZINC000271088026	550339114	/nfs/dbraw/zinc/33/91/14/550339114.db2.gz	ZXLYADOFWSSNHC-UHFFFAOYSA-N	1	1	367.415	2.199	20	30		FEEDMO
C=C(C)COc1cc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)ccc1OC	ZINC000271163487	550347348	/nfs/dbraw/zinc/34/73/48/550347348.db2.gz	GJQINNOXYXSNLL-INIZCTEOSA-N	1	1	368.499	2.151	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)CCc2cnccn2)c(OC)c1	ZINC000271345259	550367169	/nfs/dbraw/zinc/36/71/69/550367169.db2.gz	NSXXJHMWOKPOOG-SFHVURJKSA-N	1	1	357.454	2.128	20	30		FEEDMO
C=CC[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CC1	ZINC000271343345	550367192	/nfs/dbraw/zinc/36/71/92/550367192.db2.gz	CJCKZCPSUZWCFY-UHFFFAOYSA-N	1	1	371.890	2.179	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CC1	ZINC000271343345	550367194	/nfs/dbraw/zinc/36/71/94/550367194.db2.gz	CJCKZCPSUZWCFY-UHFFFAOYSA-N	1	1	371.890	2.179	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C1CC1	ZINC000271399935	550372537	/nfs/dbraw/zinc/37/25/37/550372537.db2.gz	LJZBASIFGHBNDJ-UHFFFAOYSA-N	1	1	359.495	2.465	20	30		FEEDMO
C=CC[N@@H+](CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C1CC1	ZINC000271399935	550372538	/nfs/dbraw/zinc/37/25/38/550372538.db2.gz	LJZBASIFGHBNDJ-UHFFFAOYSA-N	1	1	359.495	2.465	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@@H]2C1	ZINC000272620330	550461170	/nfs/dbraw/zinc/46/11/70/550461170.db2.gz	LSHUPPZSWHFXLN-MAUKXSAKSA-N	1	1	354.454	2.220	20	30		FEEDMO
C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)(C#N)CC1	ZINC000272619718	550461317	/nfs/dbraw/zinc/46/13/17/550461317.db2.gz	UORPPRUWURCOJX-PKOBYXMFSA-N	1	1	354.498	2.391	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000272937476	550477493	/nfs/dbraw/zinc/47/74/93/550477493.db2.gz	NJYDDOZEVXERSL-ZFWWWQNUSA-N	1	1	372.444	2.405	20	30		FEEDMO
N#Cc1ccc([C@H]([NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C(N)=O)cc1	ZINC000494498856	561470784	/nfs/dbraw/zinc/47/07/84/561470784.db2.gz	XHQVFIJJLHXPKC-OKZBNKHCSA-N	1	1	357.360	2.483	20	30		FEEDMO
N#Cc1ccc(-c2nc(-c3ccccc3C[N@@H+]3CCC[C@H]3C(N)=O)no2)[nH]1	ZINC000273926918	550516011	/nfs/dbraw/zinc/51/60/11/550516011.db2.gz	RASHVRZDXXLONZ-INIZCTEOSA-N	1	1	362.393	2.053	20	30		FEEDMO
C#CCN(C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1)C1CC1	ZINC000274128892	550524379	/nfs/dbraw/zinc/52/43/79/550524379.db2.gz	OTFOGSFWYJMDQD-UHFFFAOYSA-N	1	1	354.498	2.131	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC1	ZINC000274451279	550538314	/nfs/dbraw/zinc/53/83/14/550538314.db2.gz	FGRYTNABDJNKGA-MRXNPFEDSA-N	1	1	358.486	2.356	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C	ZINC000274702823	550550130	/nfs/dbraw/zinc/55/01/30/550550130.db2.gz	QQVFZKNMNKOHGS-INIZCTEOSA-N	1	1	371.462	2.118	20	30		FEEDMO
CCCn1ccnc1CCC[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000277326508	550656873	/nfs/dbraw/zinc/65/68/73/550656873.db2.gz	VJGKSHIKEHXGMF-SFHVURJKSA-N	1	1	356.470	2.469	20	30		FEEDMO
Cc1ncc(CO)c(/C=N/C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1O	ZINC000277519290	550680067	/nfs/dbraw/zinc/68/00/67/550680067.db2.gz	VAAXLJTYBNMBAY-VVJWVBNBSA-N	1	1	369.465	2.298	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCCO1	ZINC000277641608	550695614	/nfs/dbraw/zinc/69/56/14/550695614.db2.gz	SAKGPHOFUSSQPR-INIZCTEOSA-N	1	1	359.470	2.333	20	30		FEEDMO
C[C@@H]1OCC[C@]12C[N@@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2	ZINC000279782101	550928140	/nfs/dbraw/zinc/92/81/40/550928140.db2.gz	NRXAYAHBWMJKJL-ZEVBXJOLSA-N	1	1	369.465	2.322	20	30		FEEDMO
C[C@@H]1OCC[C@]12C[N@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2	ZINC000279782101	550928142	/nfs/dbraw/zinc/92/81/42/550928142.db2.gz	NRXAYAHBWMJKJL-ZEVBXJOLSA-N	1	1	369.465	2.322	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000280172597	550967915	/nfs/dbraw/zinc/96/79/15/550967915.db2.gz	CKMBFCOWZHLBRQ-FUHIMQAGSA-N	1	1	368.481	2.246	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000280613791	551013556	/nfs/dbraw/zinc/01/35/56/551013556.db2.gz	XVTIOAUXHRBCFN-RLLQIKCJSA-N	1	1	354.498	2.058	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)nn3)CC2)cc1	ZINC000280676188	551020340	/nfs/dbraw/zinc/02/03/40/551020340.db2.gz	BZPHQRFQOAPJBY-UHFFFAOYSA-N	1	1	355.829	2.350	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)nn3)CC2)cc1	ZINC000280676188	551020343	/nfs/dbraw/zinc/02/03/43/551020343.db2.gz	BZPHQRFQOAPJBY-UHFFFAOYSA-N	1	1	355.829	2.350	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1C	ZINC000280878078	551041649	/nfs/dbraw/zinc/04/16/49/551041649.db2.gz	ZXABKQFHUSVTRE-CZUORRHYSA-N	1	1	363.845	2.328	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C[C@H]1C	ZINC000280878078	551041650	/nfs/dbraw/zinc/04/16/50/551041650.db2.gz	ZXABKQFHUSVTRE-CZUORRHYSA-N	1	1	363.845	2.328	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000281260603	551078690	/nfs/dbraw/zinc/07/86/90/551078690.db2.gz	VKTBFAGKKRDTCJ-UTKZUKDTSA-N	1	1	370.497	2.397	20	30		FEEDMO
CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000281451391	551099142	/nfs/dbraw/zinc/09/91/42/551099142.db2.gz	QPCFCJWDAPHODA-QRWLVFNGSA-N	1	1	373.453	2.177	20	30		FEEDMO
CCOC(=O)[C@@]1(COC)CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000281451391	551099143	/nfs/dbraw/zinc/09/91/43/551099143.db2.gz	QPCFCJWDAPHODA-QRWLVFNGSA-N	1	1	373.453	2.177	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)CCCO)c1C#N	ZINC000281624571	551122104	/nfs/dbraw/zinc/12/21/04/551122104.db2.gz	HTBHENDVIFDWAZ-UHFFFAOYSA-N	1	1	358.417	2.358	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)CCCO)c1C#N	ZINC000281624571	551122105	/nfs/dbraw/zinc/12/21/05/551122105.db2.gz	HTBHENDVIFDWAZ-UHFFFAOYSA-N	1	1	358.417	2.358	20	30		FEEDMO
N#CC1(CCC[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)CCOCC1	ZINC000282134181	551185039	/nfs/dbraw/zinc/18/50/39/551185039.db2.gz	YZSVUTFAQAWICU-UHFFFAOYSA-N	1	1	357.454	2.251	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000282551887	551245523	/nfs/dbraw/zinc/24/55/23/551245523.db2.gz	SMUBREAUUGAONQ-UHFFFAOYSA-N	1	1	353.426	2.379	20	30		FEEDMO
C=CCn1c(-c2cccn2C)nnc1N1CC[NH+](Cc2ccco2)CC1	ZINC000282655602	551256377	/nfs/dbraw/zinc/25/63/77/551256377.db2.gz	QSECPQRVVZJBJG-UHFFFAOYSA-N	1	1	352.442	2.385	20	30		FEEDMO
CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1	ZINC000282682589	551259472	/nfs/dbraw/zinc/25/94/72/551259472.db2.gz	ORPTVUAXSOCHGE-UHFFFAOYSA-N	1	1	361.389	2.293	20	30		FEEDMO
CC[N@H+]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1	ZINC000282682589	551259474	/nfs/dbraw/zinc/25/94/74/551259474.db2.gz	ORPTVUAXSOCHGE-UHFFFAOYSA-N	1	1	361.389	2.293	20	30		FEEDMO
CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000282784170	551270086	/nfs/dbraw/zinc/27/00/86/551270086.db2.gz	XGGRNPUOVQOOLX-NSHDSACASA-N	1	1	361.389	2.149	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1	ZINC000283037473	551301492	/nfs/dbraw/zinc/30/14/92/551301492.db2.gz	QWVAJIQTYURMRV-IAGOWNOFSA-N	1	1	364.515	2.062	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(F)c(C#N)c3)cc2)CC1	ZINC000284755212	551625553	/nfs/dbraw/zinc/62/55/53/551625553.db2.gz	UROBSQGFMZZAJK-UHFFFAOYSA-N	1	1	366.396	2.337	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000284817691	551641848	/nfs/dbraw/zinc/64/18/48/551641848.db2.gz	XZSGTWRONQNPJQ-KRWDZBQOSA-N	1	1	370.497	2.287	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C[C@H]1C	ZINC000498584268	561529593	/nfs/dbraw/zinc/52/95/93/561529593.db2.gz	QITQNYSJYKTOQG-ZIAGYGMSSA-N	1	1	368.485	2.092	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)c(F)c1	ZINC000285941235	551829874	/nfs/dbraw/zinc/82/98/74/551829874.db2.gz	HXZQLZVJEQKBGX-HOTGVXAUSA-N	1	1	356.445	2.124	20	30		FEEDMO
CC[C@@](C)(C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000287367060	551995133	/nfs/dbraw/zinc/99/51/33/551995133.db2.gz	NYWSTAOEMTYFNO-CTNGQTDRSA-N	1	1	354.498	2.345	20	30		FEEDMO
C=CCN1CC[C@@H]([NH2+][C@@H](CCO)c2ccccc2Br)C1=O	ZINC000499624235	561554870	/nfs/dbraw/zinc/55/48/70/561554870.db2.gz	ISODAPUSLAGZFN-LSDHHAIUSA-N	1	1	353.260	2.249	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000288852860	552224687	/nfs/dbraw/zinc/22/46/87/552224687.db2.gz	PGZNCBNDEQNEBG-LBPRGKRZSA-N	1	1	350.850	2.387	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000289180206	552278675	/nfs/dbraw/zinc/27/86/75/552278675.db2.gz	NEHVUTVRCDEIDR-SFHVURJKSA-N	1	1	361.442	2.420	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289189385	552279870	/nfs/dbraw/zinc/27/98/70/552279870.db2.gz	QDTKDXQAPXAZTF-MJGOQNOKSA-N	1	1	355.482	2.214	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1	ZINC000289209709	552283230	/nfs/dbraw/zinc/28/32/30/552283230.db2.gz	BWGUSDAISSNBNJ-MRXNPFEDSA-N	1	1	368.481	2.063	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1	ZINC000289549568	552339289	/nfs/dbraw/zinc/33/92/89/552339289.db2.gz	UGMLXBILABQLII-FQEVSTJZSA-N	1	1	360.461	2.311	20	30		FEEDMO
C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C	ZINC000289724481	552368463	/nfs/dbraw/zinc/36/84/63/552368463.db2.gz	PQLFHMWZOCPYAR-CRAIPNDOSA-N	1	1	371.533	2.492	20	30		FEEDMO
CC(=O)Nc1cccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1	ZINC000289735386	552369861	/nfs/dbraw/zinc/36/98/61/552369861.db2.gz	GWRVYDAXFUDSNK-ZDUSSCGKSA-N	1	1	372.450	2.036	20	30		FEEDMO
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000290050487	552419767	/nfs/dbraw/zinc/41/97/67/552419767.db2.gz	MHIPFHMTMWNWRA-GFCCVEGCSA-N	1	1	350.850	2.387	20	30		FEEDMO
Cc1cc(CNS(=O)(=O)c2cccc(C#N)c2)cc(N2CCCC2)[nH+]1	ZINC000290092705	552426236	/nfs/dbraw/zinc/42/62/36/552426236.db2.gz	HZWGJLGUMMWQAC-UHFFFAOYSA-N	1	1	356.451	2.340	20	30		FEEDMO
N#Cc1c(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)n[nH]c1C1CC1	ZINC000290390900	552471483	/nfs/dbraw/zinc/47/14/83/552471483.db2.gz	IABJSDUHWFDUPR-INIZCTEOSA-N	1	1	365.437	2.388	20	30		FEEDMO
N#Cc1c(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n[nH]c1C1CC1	ZINC000290390900	552471487	/nfs/dbraw/zinc/47/14/87/552471487.db2.gz	IABJSDUHWFDUPR-INIZCTEOSA-N	1	1	365.437	2.388	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1	ZINC000290438977	552479332	/nfs/dbraw/zinc/47/93/32/552479332.db2.gz	RRRWGPBWHOMPGW-LJQANCHMSA-N	1	1	370.432	2.349	20	30		FEEDMO
C[NH+]1CCN([C@@H](C(=O)Nc2n[nH]c(C3CC3)c2C#N)c2ccccc2)CC1	ZINC000290506732	552490207	/nfs/dbraw/zinc/49/02/07/552490207.db2.gz	NETVZXITJMQXBU-GOSISDBHSA-N	1	1	364.453	2.086	20	30		FEEDMO
CC[C@H](NC(=O)c1cc(C#N)ccn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000501290919	561594450	/nfs/dbraw/zinc/59/44/50/561594450.db2.gz	RZUDPLMAYFLCAR-ICSRJNTNSA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@H](NC(=O)c1cc(C#N)ccn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000501290919	561594451	/nfs/dbraw/zinc/59/44/51/561594451.db2.gz	RZUDPLMAYFLCAR-ICSRJNTNSA-N	1	1	364.449	2.363	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@H+](C2CCC2)C1	ZINC000291618475	552644077	/nfs/dbraw/zinc/64/40/77/552644077.db2.gz	BZXNJUWLUYAKSP-ZDUSSCGKSA-N	1	1	351.447	2.192	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@](CO)(c2ccccc2)C1	ZINC000291758740	552658917	/nfs/dbraw/zinc/65/89/17/552658917.db2.gz	KZLPSEWWSPTPAI-PXNSSMCTSA-N	1	1	355.482	2.354	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@](CO)(c2ccccc2)C1	ZINC000291758740	552658918	/nfs/dbraw/zinc/65/89/18/552658918.db2.gz	KZLPSEWWSPTPAI-PXNSSMCTSA-N	1	1	355.482	2.354	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c(OC)c1	ZINC000291777276	552660571	/nfs/dbraw/zinc/66/05/71/552660571.db2.gz	MADLDYICQQIURR-CVEARBPZSA-N	1	1	371.424	2.113	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C2)C1	ZINC000292077564	552691299	/nfs/dbraw/zinc/69/12/99/552691299.db2.gz	QPKJMVZGIFQSGG-OAHLLOKOSA-N	1	1	373.400	2.293	20	30		FEEDMO
C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)C2)C1	ZINC000292727136	552753120	/nfs/dbraw/zinc/75/31/20/552753120.db2.gz	GGFBOEVJJFLGRF-MRXNPFEDSA-N	1	1	353.875	2.318	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(-c2ccncc2)n1	ZINC000292848530	552764654	/nfs/dbraw/zinc/76/46/54/552764654.db2.gz	SZHBKFFPGYKRJS-SFHVURJKSA-N	1	1	360.421	2.402	20	30		FEEDMO
C=CCOCC[N@@H+](C[C@@H](O)COc1ccc(NC(C)=O)cc1)C(C)C	ZINC000293114871	552790185	/nfs/dbraw/zinc/79/01/85/552790185.db2.gz	OUFSHAYBJZXFBE-GOSISDBHSA-N	1	1	350.459	2.298	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000293604434	552839667	/nfs/dbraw/zinc/83/96/67/552839667.db2.gz	DEIUYZTVKSTKKA-OAHLLOKOSA-N	1	1	357.454	2.278	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc(OC)c1O	ZINC000293740750	552851928	/nfs/dbraw/zinc/85/19/28/552851928.db2.gz	VUBKZMLOQHYRNE-KRWDZBQOSA-N	1	1	358.442	2.050	20	30		FEEDMO
CO[C@@H]1COCC[C@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000294480234	552909607	/nfs/dbraw/zinc/90/96/07/552909607.db2.gz	QQRXIUOODJWQBM-VQTJNVASSA-N	1	1	371.481	2.034	20	30		FEEDMO
CN(Cc1cc(C#N)ccc1Br)[C@H]1CC[N@@H+]2CCO[C@H]1C2	ZINC000295313740	552985816	/nfs/dbraw/zinc/98/58/16/552985816.db2.gz	GHDROYGGNRLIRJ-HOTGVXAUSA-N	1	1	350.260	2.226	20	30		FEEDMO
CN(Cc1cc(C#N)ccc1Br)[C@H]1CC[N@H+]2CCO[C@H]1C2	ZINC000295313740	552985818	/nfs/dbraw/zinc/98/58/18/552985818.db2.gz	GHDROYGGNRLIRJ-HOTGVXAUSA-N	1	1	350.260	2.226	20	30		FEEDMO
CCn1cc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cn1	ZINC000296237891	553127621	/nfs/dbraw/zinc/12/76/21/553127621.db2.gz	WWPBEERCTHZHHI-CQSZACIVSA-N	1	1	363.425	2.250	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1	ZINC000296993243	553239532	/nfs/dbraw/zinc/23/95/32/553239532.db2.gz	SSLFWUOKUVPBSX-IAGOWNOFSA-N	1	1	351.397	2.049	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(C#N)nc(C2CC2)n1	ZINC000601117932	553349817	/nfs/dbraw/zinc/34/98/17/553349817.db2.gz	AQHRMOXXUODTPY-HNNXBMFYSA-N	1	1	363.469	2.243	20	30		FEEDMO
C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)N1CCC(C(=O)OC)CC1	ZINC000298065132	553379517	/nfs/dbraw/zinc/37/95/17/553379517.db2.gz	JBPXPQUHGXQYDS-MRXNPFEDSA-N	1	1	369.465	2.346	20	30		FEEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)N1CCC(C(=O)OC)CC1	ZINC000298065132	553379519	/nfs/dbraw/zinc/37/95/19/553379519.db2.gz	JBPXPQUHGXQYDS-MRXNPFEDSA-N	1	1	369.465	2.346	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](OCc4ccncc4)C3)C2=O)cc1	ZINC000298448173	553425915	/nfs/dbraw/zinc/42/59/15/553425915.db2.gz	HFEMCPBSWKMCOL-WOJBJXKFSA-N	1	1	362.433	2.350	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](OCc4ccncc4)C3)C2=O)cc1	ZINC000298448173	553425916	/nfs/dbraw/zinc/42/59/16/553425916.db2.gz	HFEMCPBSWKMCOL-WOJBJXKFSA-N	1	1	362.433	2.350	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OCC#N	ZINC000298481405	553430486	/nfs/dbraw/zinc/43/04/86/553430486.db2.gz	GRPYRKWGZNZSIU-WRBKUFGZSA-N	1	1	355.438	2.354	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H](O)c1cccc(Br)c1	ZINC000298542547	553437949	/nfs/dbraw/zinc/43/79/49/553437949.db2.gz	XPOPJOTYWMDADP-IUODEOHRSA-N	1	1	368.275	2.175	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@H](O)c1cccc(Br)c1	ZINC000298542547	553437950	/nfs/dbraw/zinc/43/79/50/553437950.db2.gz	XPOPJOTYWMDADP-IUODEOHRSA-N	1	1	368.275	2.175	20	30		FEEDMO
N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1	ZINC000298732662	553465701	/nfs/dbraw/zinc/46/57/01/553465701.db2.gz	LXLTXSIMAPPNRE-PMACEKPBSA-N	1	1	367.497	2.012	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000299007329	553502511	/nfs/dbraw/zinc/50/25/11/553502511.db2.gz	CEWCZWVLLYEJCM-INIZCTEOSA-N	1	1	368.481	2.022	20	30		FEEDMO
C[C@H](C[S@@](C)=O)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000299064639	553510525	/nfs/dbraw/zinc/51/05/25/553510525.db2.gz	SQEMJKQRWVUDMP-QVQLBTGDSA-N	1	1	353.513	2.136	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000299206418	553530639	/nfs/dbraw/zinc/53/06/39/553530639.db2.gz	RGLPCEHHHJFJPW-XHSDSOJGSA-N	1	1	372.469	2.010	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)C1	ZINC000301254065	553636220	/nfs/dbraw/zinc/63/62/20/553636220.db2.gz	DAYNMZKXISESLZ-AWEZNQCLSA-N	1	1	353.392	2.188	20	30		FEEDMO
Cc1cc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ncc1C#N	ZINC000603120493	553712524	/nfs/dbraw/zinc/71/25/24/553712524.db2.gz	RBKUTXHVEQPNNY-UHFFFAOYSA-N	1	1	365.437	2.416	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccn2c1C#N	ZINC000302476268	553717984	/nfs/dbraw/zinc/71/79/84/553717984.db2.gz	VKZDJOZYISRBOV-OAQYLSRUSA-N	1	1	361.449	2.279	20	30		FEEDMO
COc1ccc(NC(=[NH2+])NCc2nc(-c3ccc(OC)cc3)n[nH]2)cc1	ZINC000303971812	553746780	/nfs/dbraw/zinc/74/67/80/553746780.db2.gz	FCUALMBCYVWNFF-UHFFFAOYSA-N	1	1	352.398	2.416	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1	ZINC000505578416	561674385	/nfs/dbraw/zinc/67/43/85/561674385.db2.gz	HHLRKIXQJQWEGO-UHFFFAOYSA-N	1	1	371.481	2.067	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000312040119	553756034	/nfs/dbraw/zinc/75/60/34/553756034.db2.gz	VREZJWFVBLLXNZ-QGZVFWFLSA-N	1	1	370.478	2.062	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@H+](Cc2ccccc2)C1	ZINC000324057476	553771100	/nfs/dbraw/zinc/77/11/00/553771100.db2.gz	VUGYTGFHDBXKQJ-INIZCTEOSA-N	1	1	370.478	2.096	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@@H+](Cc2ccccc2)C1	ZINC000324057476	553771101	/nfs/dbraw/zinc/77/11/01/553771101.db2.gz	VUGYTGFHDBXKQJ-INIZCTEOSA-N	1	1	370.478	2.096	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1	ZINC000328354257	553793962	/nfs/dbraw/zinc/79/39/62/553793962.db2.gz	SVDYKDUNDSBDGJ-QRVBRYPASA-N	1	1	362.495	2.347	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1	ZINC000328354257	553793964	/nfs/dbraw/zinc/79/39/64/553793964.db2.gz	SVDYKDUNDSBDGJ-QRVBRYPASA-N	1	1	362.495	2.347	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1	ZINC000328682669	553806667	/nfs/dbraw/zinc/80/66/67/553806667.db2.gz	DCINSMACQQWCBM-AWEZNQCLSA-N	1	1	365.499	2.164	20	30		FEEDMO
C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000328753769	553817141	/nfs/dbraw/zinc/81/71/41/553817141.db2.gz	SHYBTKYQFISWCN-LSDHHAIUSA-N	1	1	351.491	2.233	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N[C@H]1CCCC12CCOCC2)[NH+]1CCOCC1	ZINC000328764426	553818886	/nfs/dbraw/zinc/81/88/86/553818886.db2.gz	DSLOKPFUOMLIRD-IRXDYDNUSA-N	1	1	353.507	2.196	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCC23CCOCC3)C1	ZINC000328784142	553821789	/nfs/dbraw/zinc/82/17/89/553821789.db2.gz	KEWHQJWYIHYWJM-SJORKVTESA-N	1	1	353.507	2.196	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1	ZINC000328817100	553827365	/nfs/dbraw/zinc/82/73/65/553827365.db2.gz	OWHKAJFVOYJODK-ZSZQSSIHSA-N	1	1	373.501	2.303	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)C1	ZINC000328821856	553827746	/nfs/dbraw/zinc/82/77/46/553827746.db2.gz	OYPYKJJZGUSKRN-GOEBONIOSA-N	1	1	373.453	2.252	20	30		FEEDMO
O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1	ZINC000328855992	553833887	/nfs/dbraw/zinc/83/38/87/553833887.db2.gz	XDLXTSKFETVIDC-CQSZACIVSA-N	1	1	352.866	2.367	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)N1CC[C@H](C2CCOCC2)C1)[NH+]1CCOCC1	ZINC000328871204	553836532	/nfs/dbraw/zinc/83/65/32/553836532.db2.gz	YGMUSWVBGPNKLZ-RBUKOAKNSA-N	1	1	367.534	2.396	20	30		FEEDMO
COc1ccc([C@H]2OCC[C@@H]2NC(=O)C[N@@H+](C)[C@H]2CCSC2)cn1	ZINC000328931337	553847288	/nfs/dbraw/zinc/84/72/88/553847288.db2.gz	BCMXBBMIPIMRMI-GRDNDAEWSA-N	1	1	351.472	2.314	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1COc2cc(OC)ccc2C1	ZINC000328973212	553856213	/nfs/dbraw/zinc/85/62/13/553856213.db2.gz	ANKFDYZXMUXCIV-GVDBMIGSSA-N	1	1	359.470	2.471	20	30		FEEDMO
CC(=O)N1CCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC12CCCCC2	ZINC000328990823	553860231	/nfs/dbraw/zinc/86/02/31/553860231.db2.gz	VFOVPAQWSXURHA-QGZVFWFLSA-N	1	1	364.534	2.499	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000329012219	553864656	/nfs/dbraw/zinc/86/46/56/553864656.db2.gz	ARSPHWDTRZIQOH-XNIJUTNWSA-N	1	1	367.534	2.129	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000329039242	553869630	/nfs/dbraw/zinc/86/96/30/553869630.db2.gz	NVXIKEHLCNGSDM-DFBDCSAJSA-N	1	1	351.491	2.043	20	30		FEEDMO
COc1cc[nH+]c(N2CCN(CC(=O)Nc3nc4c(s3)CCC4)CC2)c1	ZINC000329122930	553884191	/nfs/dbraw/zinc/88/41/91/553884191.db2.gz	WXEBJBMYUCEGGS-UHFFFAOYSA-N	1	1	373.482	2.446	20	30		FEEDMO
COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000329126023	553884505	/nfs/dbraw/zinc/88/45/05/553884505.db2.gz	YITHVEKVCYIBOS-WBVHZDCISA-N	1	1	366.483	2.223	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCO[C@@H]2c2ccc(OC)nc2)C1	ZINC000329131793	553886462	/nfs/dbraw/zinc/88/64/62/553886462.db2.gz	OZNVKVYWFHHXCF-QILLFSRXSA-N	1	1	362.474	2.156	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)C1	ZINC000329180582	553896867	/nfs/dbraw/zinc/89/68/67/553896867.db2.gz	OHUVAOJZNRWHLA-HUUCEWRRSA-N	1	1	371.547	2.247	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1	ZINC000329184792	553897952	/nfs/dbraw/zinc/89/79/52/553897952.db2.gz	OKQHFCXPMRCGOM-XJKCOSOUSA-N	1	1	362.380	2.198	20	30		FEEDMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O	ZINC000329196669	553900541	/nfs/dbraw/zinc/90/05/41/553900541.db2.gz	UWCZPRLBVMKPRY-GHMZBOCLSA-N	1	1	358.398	2.136	20	30		FEEDMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O	ZINC000329196669	553900544	/nfs/dbraw/zinc/90/05/44/553900544.db2.gz	UWCZPRLBVMKPRY-GHMZBOCLSA-N	1	1	358.398	2.136	20	30		FEEDMO
CN1CC[C@H](N2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)C1=O	ZINC000329200695	553901138	/nfs/dbraw/zinc/90/11/38/553901138.db2.gz	WJFBPCDLNGUUES-ROUUACIJSA-N	1	1	362.518	2.045	20	30		FEEDMO
CN1CC[C@H](N2CCC(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)C1=O	ZINC000329200695	553901139	/nfs/dbraw/zinc/90/11/39/553901139.db2.gz	WJFBPCDLNGUUES-ROUUACIJSA-N	1	1	362.518	2.045	20	30		FEEDMO
CC[C@@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC(=O)N1	ZINC000329222671	553905413	/nfs/dbraw/zinc/90/54/13/553905413.db2.gz	WUJXNYFHZORDPA-YZDRTPDPSA-N	1	1	364.490	2.172	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000329225994	553906672	/nfs/dbraw/zinc/90/66/72/553906672.db2.gz	HBSNFADYPJWKHF-KURKYZTESA-N	1	1	365.518	2.483	20	30		FEEDMO
C[C@]1(C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)NC(=O)NC1=O	ZINC000329242468	553909414	/nfs/dbraw/zinc/90/94/14/553909414.db2.gz	OIVSFZQKRFZEJC-HNSFDTNUSA-N	1	1	363.462	2.025	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1	ZINC000329258913	553912838	/nfs/dbraw/zinc/91/28/38/553912838.db2.gz	ADLGDSHBOZMHKO-BZUAXINKSA-N	1	1	358.490	2.402	20	30		FEEDMO
O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1	ZINC000329258913	553912840	/nfs/dbraw/zinc/91/28/40/553912840.db2.gz	ADLGDSHBOZMHKO-BZUAXINKSA-N	1	1	358.490	2.402	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1	ZINC000329258913	553912842	/nfs/dbraw/zinc/91/28/42/553912842.db2.gz	ADLGDSHBOZMHKO-BZUAXINKSA-N	1	1	358.490	2.402	20	30		FEEDMO
C[C@@H](NC(=O)N1CCN(C(=O)C2CCCCC2)CC1)C1=CC[N@@H+](C)CC1	ZINC000329281812	553917236	/nfs/dbraw/zinc/91/72/36/553917236.db2.gz	FBNNJAHPXNUISU-MRXNPFEDSA-N	1	1	362.518	2.275	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C	ZINC000329361743	553932142	/nfs/dbraw/zinc/93/21/42/553932142.db2.gz	IPUBZMOYLQNRAG-IIAWOOMASA-N	1	1	368.522	2.211	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)[C@H]1CC12CCS(=O)(=O)CC2)Cc1ccccc1	ZINC000329365382	553933360	/nfs/dbraw/zinc/93/33/60/553933360.db2.gz	JYGNLKVPGFSWBE-DLBZAZTESA-N	1	1	364.511	2.331	20	30		FEEDMO
CN1CC[C@H]([N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1=O	ZINC000329403343	553939956	/nfs/dbraw/zinc/93/99/56/553939956.db2.gz	YSLNLESYEMFDGL-RDJZCZTQSA-N	1	1	367.453	2.456	20	30		FEEDMO
CN1CC[C@H]([N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1=O	ZINC000329403343	553939958	/nfs/dbraw/zinc/93/99/58/553939958.db2.gz	YSLNLESYEMFDGL-RDJZCZTQSA-N	1	1	367.453	2.456	20	30		FEEDMO
CN(C(=O)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCCCC1	ZINC000329420575	553942943	/nfs/dbraw/zinc/94/29/43/553942943.db2.gz	GWNRFTGRVYTPGA-SJPCQFCGSA-N	1	1	350.507	2.249	20	30		FEEDMO
Cc1nccc(N2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3CC(C)C)CC2)n1	ZINC000329442257	553947896	/nfs/dbraw/zinc/94/78/96/553947896.db2.gz	BQHXIDLTXDOBFV-GOSISDBHSA-N	1	1	374.533	2.332	20	30		FEEDMO
Cc1nc(CN2CCC(CNC(=O)N3CCC[N@H+](C)CC3)CC2)oc1C	ZINC000329454681	553950205	/nfs/dbraw/zinc/95/02/05/553950205.db2.gz	NZIHKJYVFBITCF-UHFFFAOYSA-N	1	1	363.506	2.055	20	30		FEEDMO
CC1(C)C[N@H+](C2(CNC(=O)c3cnc4n[nH]nc4c3)CCCCC2)CCO1	ZINC000329465813	553952046	/nfs/dbraw/zinc/95/20/46/553952046.db2.gz	VIGIPCAHHMGFFZ-UHFFFAOYSA-N	1	1	372.473	2.471	20	30		FEEDMO
CC(C)[C@H](NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1nnc2ccccn21	ZINC000329468457	553952558	/nfs/dbraw/zinc/95/25/58/553952558.db2.gz	XIUSPNJDXRRHHV-ZOBUZTSGSA-N	1	1	356.474	2.366	20	30		FEEDMO
C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC(C)(C)O1	ZINC000329483627	553955315	/nfs/dbraw/zinc/95/53/15/553955315.db2.gz	QGBUOCOFTGUYPL-YQQAZPJKSA-N	1	1	363.506	2.216	20	30		FEEDMO
O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1	ZINC000329514420	553960666	/nfs/dbraw/zinc/96/06/66/553960666.db2.gz	CUVTYXAMKCANPN-AEGPPILISA-N	1	1	363.424	2.410	20	30		FEEDMO
O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1	ZINC000329514421	553960695	/nfs/dbraw/zinc/96/06/95/553960695.db2.gz	CUVTYXAMKCANPN-QEJZJMRPSA-N	1	1	363.424	2.410	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2ccc3c(C)nn(C)c3c2)C[C@@H]1[NH+]1CCOCC1	ZINC000329610429	553976232	/nfs/dbraw/zinc/97/62/32/553976232.db2.gz	JKKPIWBLYWUZEO-BEFAXECRSA-N	1	1	371.485	2.470	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC[N@H+]1C[C@H](C)O	ZINC000329695824	553990809	/nfs/dbraw/zinc/99/08/09/553990809.db2.gz	DGFRNXUVBISMKG-KLZNWCGWSA-N	1	1	368.522	2.211	20	30		FEEDMO
Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H](C)[N@H+]3CCC[C@H](C)C3)C2)nn1	ZINC000329699580	553991395	/nfs/dbraw/zinc/99/13/95/553991395.db2.gz	ZDPYURHHQWQSPT-SZMVWBNQSA-N	1	1	374.533	2.378	20	30		FEEDMO
C[C@H](NC(=O)N1CCC[C@H](CNC(N)=O)C1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000329705254	553992393	/nfs/dbraw/zinc/99/23/93/553992393.db2.gz	KCHVWTTUINHZLU-ARFHVFGLSA-N	1	1	365.522	2.348	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cccc3c2OCC(=O)N3)C[C@@H]1[NH+]1CCOCC1	ZINC000329729639	553996657	/nfs/dbraw/zinc/99/66/57/553996657.db2.gz	CXRQDOHNXASCSY-CJNGLKHVSA-N	1	1	374.441	2.255	20	30		FEEDMO
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1=O	ZINC000329769929	554002938	/nfs/dbraw/zinc/00/29/38/554002938.db2.gz	IGUXQNYHNKUIHZ-CGHHPOIWSA-N	1	1	370.497	2.162	20	30		FEEDMO
Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)C2)nn1	ZINC000329790149	554007064	/nfs/dbraw/zinc/00/70/64/554007064.db2.gz	CQHYEKBKGJVVOC-ROUUACIJSA-N	1	1	374.533	2.235	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)C1	ZINC000329814419	554010880	/nfs/dbraw/zinc/01/08/80/554010880.db2.gz	UMVBVCHRMPXQCB-BZUAXINKSA-N	1	1	354.495	2.331	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)N2CCS(=O)(=O)C(CC)(CC)C2)CC1	ZINC000329816298	554011805	/nfs/dbraw/zinc/01/18/05/554011805.db2.gz	OBVYVHCXQWXPGR-UHFFFAOYSA-N	1	1	371.547	2.230	20	30		FEEDMO
[O-]C(NCc1cc(F)cc2c1OCOC2)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1	ZINC000329914961	554031008	/nfs/dbraw/zinc/03/10/08/554031008.db2.gz	PIJJUVLSMSVPQZ-LBPRGKRZSA-N	1	1	360.389	2.155	20	30		FEEDMO
O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000329994351	554046224	/nfs/dbraw/zinc/04/62/24/554046224.db2.gz	ZDSQELYLBMIOAH-ZVDOUQERSA-N	1	1	373.497	2.350	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)C1	ZINC000329997808	554046923	/nfs/dbraw/zinc/04/69/23/554046923.db2.gz	RDQAHPPLELPRMT-JTDSTZFVSA-N	1	1	353.507	2.291	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	ZINC000330017685	554050033	/nfs/dbraw/zinc/05/00/33/554050033.db2.gz	RNXYFVOORFSOTQ-IMJJTQAJSA-N	1	1	355.442	2.485	20	30		FEEDMO
O=C(Cn1cc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cn1)NC1CCCC1	ZINC000330033252	554052424	/nfs/dbraw/zinc/05/24/24/554052424.db2.gz	VJQLXEPLMVHPSR-QGZVFWFLSA-N	1	1	374.489	2.498	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O	ZINC000330081958	554061266	/nfs/dbraw/zinc/06/12/66/554061266.db2.gz	KBLIQNIWXICJKS-DOTOQJQBSA-N	1	1	351.410	2.186	20	30		FEEDMO
Cn1c2ccc(C[NH+]3CCN(c4cccc(F)c4C#N)CC3)cc2oc1=O	ZINC000507545101	561732692	/nfs/dbraw/zinc/73/26/92/561732692.db2.gz	DJQGITOWECIHGA-UHFFFAOYSA-N	1	1	366.396	2.464	20	30		FEEDMO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn1	ZINC000330170061	554077392	/nfs/dbraw/zinc/07/73/92/554077392.db2.gz	DLIYZGRBKMTGJG-MMTVNHQJSA-N	1	1	362.478	2.049	20	30		FEEDMO
O=C(CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1)NC1CCCCC1	ZINC000330234648	554090510	/nfs/dbraw/zinc/09/05/10/554090510.db2.gz	SSAKHKJXVYEMJS-SFHVURJKSA-N	1	1	362.518	2.047	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000330246103	554092153	/nfs/dbraw/zinc/09/21/53/554092153.db2.gz	YAOVZCFPDYCJCA-JCHJZTRSSA-N	1	1	360.502	2.243	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2ccc(C)c3c[nH]nc32)C[C@H]1[NH+]1CCOCC1	ZINC000330258448	554094567	/nfs/dbraw/zinc/09/45/67/554094567.db2.gz	MKJQSLZBCYCEEC-RHSMWYFYSA-N	1	1	357.458	2.459	20	30		FEEDMO
N#Cc1ccccc1N1CC[NH+](C[C@H](O)COc2ccccc2F)CC1	ZINC000507756515	561739865	/nfs/dbraw/zinc/73/98/65/561739865.db2.gz	RQLRVJULNJIXAE-KRWDZBQOSA-N	1	1	355.413	2.259	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2C[C@H](CC)[C@H]([NH+]3CCOCC3)C2)C12CCC2	ZINC000330267390	554096430	/nfs/dbraw/zinc/09/64/30/554096430.db2.gz	QMLJGCWVLZLOEC-XWTMOSNGSA-N	1	1	365.518	2.291	20	30		FEEDMO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NCC[N@@H+]1CCC[C@H](C)C1	ZINC000330323641	554105137	/nfs/dbraw/zinc/10/51/37/554105137.db2.gz	HUAQIOYLVQPCHH-OWQGQXMQSA-N	1	1	363.506	2.102	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1	ZINC000330413988	554118749	/nfs/dbraw/zinc/11/87/49/554118749.db2.gz	MRARQMZWSNYMHD-WMZOPIPTSA-N	1	1	364.515	2.109	20	30		FEEDMO
CC(=O)c1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1Cl	ZINC000330585063	554141709	/nfs/dbraw/zinc/14/17/09/554141709.db2.gz	RVVSGJTZGDQDBX-RYUDHWBXSA-N	1	1	353.850	2.475	20	30		FEEDMO
C[C@@H]1CN(C(=O)CNC(=O)c2cccc(Br)c2)C[C@H](C)[N@@H+]1C	ZINC000330787381	554171174	/nfs/dbraw/zinc/17/11/74/554171174.db2.gz	OZORDWKTBGMBSQ-TXEJJXNPSA-N	1	1	368.275	2.305	20	30		FEEDMO
CCc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NC(=O)NC(C)C)CC2)s1	ZINC000330884119	554183056	/nfs/dbraw/zinc/18/30/56/554183056.db2.gz	KIOYXIREVRKWAA-AWEZNQCLSA-N	1	1	366.531	2.255	20	30		FEEDMO
CC(C)CNC(=O)N1CCC[C@H](CC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1	ZINC000330887887	554183472	/nfs/dbraw/zinc/18/34/72/554183472.db2.gz	ABHXGBVEEZOHQQ-BRWVUGGUSA-N	1	1	352.523	2.257	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000330898105	554184725	/nfs/dbraw/zinc/18/47/25/554184725.db2.gz	OUFNKCZNSUZMBA-NEPJUHHUSA-N	1	1	357.380	2.368	20	30		FEEDMO
CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1	ZINC000330917214	554188126	/nfs/dbraw/zinc/18/81/26/554188126.db2.gz	VYSQJPVOHGVCOU-UKRRQHHQSA-N	1	1	353.488	2.161	20	30		FEEDMO
CC(C)[C@@H](C)NC(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1	ZINC000330954970	554193485	/nfs/dbraw/zinc/19/34/85/554193485.db2.gz	AWVYKBKBXXKJFJ-RDBSUJKOSA-N	1	1	352.458	2.008	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O	ZINC000330986591	554197401	/nfs/dbraw/zinc/19/74/01/554197401.db2.gz	RAWWBYWYOQILEV-RISCZKNCSA-N	1	1	354.382	2.056	20	30		FEEDMO
CC(=O)N[C@H](C)C1CC[NH+](CC(=O)NC(=O)Nc2ccc(C)cc2C)CC1	ZINC000331115518	554215153	/nfs/dbraw/zinc/21/51/53/554215153.db2.gz	KNYPPWVUSDKWDU-OAHLLOKOSA-N	1	1	374.485	2.202	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1C#N	ZINC000331173269	554226117	/nfs/dbraw/zinc/22/61/17/554226117.db2.gz	UWAVPXDAXPCZAI-ZDUSSCGKSA-N	1	1	350.488	2.051	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000331290631	554242340	/nfs/dbraw/zinc/24/23/40/554242340.db2.gz	KFQRQACNMGLNDH-KBPBESRZSA-N	1	1	353.463	2.237	20	30		FEEDMO
C=CCn1c(CCc2ccco2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000508885360	561776766	/nfs/dbraw/zinc/77/67/66/561776766.db2.gz	OYTCDRMRGDOHTM-KRWDZBQOSA-N	1	1	371.485	2.001	20	30		FEEDMO
C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1	ZINC000508909311	561778024	/nfs/dbraw/zinc/77/80/24/561778024.db2.gz	YZLQRZZCFKYGSC-MRXNPFEDSA-N	1	1	362.522	2.159	20	30		FEEDMO
C=CCn1c(-c2ccccn2)nnc1N1CC[N@@H+](CCOC)[C@@H](CCC)C1	ZINC000508922557	561778339	/nfs/dbraw/zinc/77/83/39/561778339.db2.gz	QVXDNPUZHVLPKP-KRWDZBQOSA-N	1	1	370.501	2.463	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000332210362	554401668	/nfs/dbraw/zinc/40/16/68/554401668.db2.gz	GLVFBJAAVAXXPJ-QGZVFWFLSA-N	1	1	370.563	2.301	20	30		FEEDMO
C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000332522125	554462427	/nfs/dbraw/zinc/46/24/27/554462427.db2.gz	ZOLWFGXJYPZGOG-JSGCOSHPSA-N	1	1	360.845	2.235	20	30		FEEDMO
C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000332522125	554462430	/nfs/dbraw/zinc/46/24/30/554462430.db2.gz	ZOLWFGXJYPZGOG-JSGCOSHPSA-N	1	1	360.845	2.235	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000333044651	554563741	/nfs/dbraw/zinc/56/37/41/554563741.db2.gz	PGANEGISNDOYKB-NVXWUHKLSA-N	1	1	358.511	2.389	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000333515848	554620074	/nfs/dbraw/zinc/62/00/74/554620074.db2.gz	YNWRLWNTHNRTSK-NNIGNNQHSA-N	1	1	365.518	2.251	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1=O	ZINC000348391849	554683901	/nfs/dbraw/zinc/68/39/01/554683901.db2.gz	RBHBICAESHCREQ-FXAWDEMLSA-N	1	1	357.454	2.164	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1=O	ZINC000348456895	554685721	/nfs/dbraw/zinc/68/57/21/554685721.db2.gz	CFGGMYVOGDIYMQ-MSOLQXFVSA-N	1	1	357.454	2.164	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N(C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1=O	ZINC000348513877	554687680	/nfs/dbraw/zinc/68/76/80/554687680.db2.gz	ONAOBSNRQIBHCF-GDBMZVCRSA-N	1	1	363.483	2.083	20	30		FEEDMO
Cc1nc(C2CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n[nH]1	ZINC000360471955	554875854	/nfs/dbraw/zinc/87/58/54/554875854.db2.gz	GODNCUWWJIRFCQ-SFHVURJKSA-N	1	1	364.453	2.360	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CCC[N@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1	ZINC000362900613	554997275	/nfs/dbraw/zinc/99/72/75/554997275.db2.gz	DHLXGRZMQTYATB-ZDUSSCGKSA-N	1	1	373.400	2.436	20	30		FEEDMO
N#CCOc1ccc(/C=C/C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1	ZINC000363067623	555022735	/nfs/dbraw/zinc/02/27/35/555022735.db2.gz	NEEPUSFYPFFLEZ-MBNRZODZSA-N	1	1	369.465	2.315	20	30		FEEDMO
C=CCc1cc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc(OC)c1OC	ZINC000363102116	555030364	/nfs/dbraw/zinc/03/03/64/555030364.db2.gz	ZGSCCNSPZBEKGY-IAGOWNOFSA-N	1	1	360.454	2.025	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1	ZINC000363104311	555031615	/nfs/dbraw/zinc/03/16/15/555031615.db2.gz	NSMGKOIPIMRDKI-TZIWHRDSSA-N	1	1	368.481	2.489	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1	ZINC000363316773	555077146	/nfs/dbraw/zinc/07/71/46/555077146.db2.gz	PPDJMVVCUYXAOF-XUVXKRRUSA-N	1	1	352.482	2.270	20	30		FEEDMO
C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(C2CCOCC2)CC1	ZINC000363452844	555109195	/nfs/dbraw/zinc/10/91/95/555109195.db2.gz	MSSNFAIWBYQDCP-UHFFFAOYSA-N	1	1	370.497	2.462	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(C2CCOCC2)CC1	ZINC000363452844	555109197	/nfs/dbraw/zinc/10/91/97/555109197.db2.gz	MSSNFAIWBYQDCP-UHFFFAOYSA-N	1	1	370.497	2.462	20	30		FEEDMO
CN(CCC(=O)Nc1ccc(C#N)cc1)C1CC[NH+](C2CCOCC2)CC1	ZINC000363452844	555109200	/nfs/dbraw/zinc/10/92/00/555109200.db2.gz	MSSNFAIWBYQDCP-UHFFFAOYSA-N	1	1	370.497	2.462	20	30		FEEDMO
COC(=O)c1cn([C@@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)nn1	ZINC000363995582	555229767	/nfs/dbraw/zinc/22/97/67/555229767.db2.gz	DHRJYYUWDVZUHD-MRXNPFEDSA-N	1	1	358.829	2.407	20	30		FEEDMO
COC(=O)c1cn([C@@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)nn1	ZINC000363995582	555229769	/nfs/dbraw/zinc/22/97/69/555229769.db2.gz	DHRJYYUWDVZUHD-MRXNPFEDSA-N	1	1	358.829	2.407	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1	ZINC000364161890	555261096	/nfs/dbraw/zinc/26/10/96/555261096.db2.gz	QIFFQUVTAZSWRG-LJQANCHMSA-N	1	1	373.497	2.267	20	30		FEEDMO
C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F	ZINC000512474333	561906831	/nfs/dbraw/zinc/90/68/31/561906831.db2.gz	JHPNWAIRJJQZOC-XJKSGUPXSA-N	1	1	351.397	2.455	20	30		FEEDMO
C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F	ZINC000512474333	561906832	/nfs/dbraw/zinc/90/68/32/561906832.db2.gz	JHPNWAIRJJQZOC-XJKSGUPXSA-N	1	1	351.397	2.455	20	30		FEEDMO
C[C@@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)c[nH]1	ZINC000364848940	555415096	/nfs/dbraw/zinc/41/50/96/555415096.db2.gz	GHPNCIUSTKCIFY-HNAYVOBHSA-N	1	1	352.438	2.248	20	30		FEEDMO
C[C@@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)c[nH]1	ZINC000364848940	555415102	/nfs/dbraw/zinc/41/51/02/555415102.db2.gz	GHPNCIUSTKCIFY-HNAYVOBHSA-N	1	1	352.438	2.248	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@]2(CCC[C@H]2NC(=O)OC(C)(C)C)C1	ZINC000365229513	555517027	/nfs/dbraw/zinc/51/70/27/555517027.db2.gz	QNTXEHIFVGCWEV-QMTMVMCOSA-N	1	1	351.491	2.446	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCCN(c2ncccc2C#N)CC1	ZINC000365704241	555645364	/nfs/dbraw/zinc/64/53/64/555645364.db2.gz	OTSACLNNHRYSHD-KRWDZBQOSA-N	1	1	372.517	2.295	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(Cl)c1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000366338717	555815199	/nfs/dbraw/zinc/81/51/99/555815199.db2.gz	GCESHXOJQXFLAP-LBPRGKRZSA-N	1	1	358.833	2.467	20	30		FEEDMO
N#Cc1cnc2c(Br)cccc2c1N1CC[N@@H+]2CCOC[C@H]2C1	ZINC000366901586	555964095	/nfs/dbraw/zinc/96/40/95/555964095.db2.gz	UECTYZUXSVLHHL-CYBMUJFWSA-N	1	1	373.254	2.390	20	30		FEEDMO
N#Cc1cnc2c(Br)cccc2c1N1CC[N@H+]2CCOC[C@H]2C1	ZINC000366901586	555964098	/nfs/dbraw/zinc/96/40/98/555964098.db2.gz	UECTYZUXSVLHHL-CYBMUJFWSA-N	1	1	373.254	2.390	20	30		FEEDMO
N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000367279311	556006698	/nfs/dbraw/zinc/00/66/98/556006698.db2.gz	UKNZIOMKTUMRBC-LBPRGKRZSA-N	1	1	362.355	2.435	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNCC(=O)N(CCC#N)CCC#N)[C@H]1c1ccccc1	ZINC000367483400	556062845	/nfs/dbraw/zinc/06/28/45/556062845.db2.gz	MCDHDTGIQWQHHB-TZIWHRDSSA-N	1	1	367.497	2.315	20	30		FEEDMO
N#Cc1ccc(N2CCC(C(=O)N[C@H]3CCc4nc[nH]c4C3)CC2)c(F)c1	ZINC000367608037	556095859	/nfs/dbraw/zinc/09/58/59/556095859.db2.gz	PWUDUOLDQRNGPK-HNNXBMFYSA-N	1	1	367.428	2.311	20	30		FEEDMO
COC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2	ZINC000367828674	556149499	/nfs/dbraw/zinc/14/94/99/556149499.db2.gz	VPUDBJPFHLPZPK-BEFAXECRSA-N	1	1	352.394	2.383	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](CN3CCN(C)CC3)C2)cc1	ZINC000368050183	556204701	/nfs/dbraw/zinc/20/47/01/556204701.db2.gz	DEHNLCVKKYLXGG-UYAOXDASSA-N	1	1	356.514	2.437	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CN3CCN(C)CC3)C2)cc1	ZINC000368050183	556204704	/nfs/dbraw/zinc/20/47/04/556204704.db2.gz	DEHNLCVKKYLXGG-UYAOXDASSA-N	1	1	356.514	2.437	20	30		FEEDMO
N#Cc1ccc(S(N)(=O)=O)cc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000368550296	556342611	/nfs/dbraw/zinc/34/26/11/556342611.db2.gz	GXNQXOUADGKQQU-INIZCTEOSA-N	1	1	370.478	2.140	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1nnc2n1CCCC2	ZINC000515578590	562015895	/nfs/dbraw/zinc/01/58/95/562015895.db2.gz	XHYDYAUFKOSDFY-RDJZCZTQSA-N	1	1	356.470	2.433	20	30		FEEDMO
COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1OCCCC#N	ZINC000368976608	556465387	/nfs/dbraw/zinc/46/53/87/556465387.db2.gz	XTCSNDAIHJFERV-FCEWJHQRSA-N	1	1	357.454	2.464	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000369059465	556492358	/nfs/dbraw/zinc/49/23/58/556492358.db2.gz	WQIIONOCLJQHAC-HNNXBMFYSA-N	1	1	370.453	2.029	20	30		FEEDMO
C[N@@H+](Cc1cc(C#N)ccc1F)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000369067131	556495585	/nfs/dbraw/zinc/49/55/85/556495585.db2.gz	TUCXAOWJOSMCMH-UHFFFAOYSA-N	1	1	358.461	2.216	20	30		FEEDMO
CN(Cc1cc(C#N)ccc1F)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000369067131	556495587	/nfs/dbraw/zinc/49/55/87/556495587.db2.gz	TUCXAOWJOSMCMH-UHFFFAOYSA-N	1	1	358.461	2.216	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1nnc2n1CCCCC2	ZINC000516048012	562028766	/nfs/dbraw/zinc/02/87/66/562028766.db2.gz	AQUCQAXBWBZYJH-QGZVFWFLSA-N	1	1	356.470	2.263	20	30		FEEDMO
CC(=O)N1CCCCC[C@H]1C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000369517207	556617643	/nfs/dbraw/zinc/61/76/43/556617643.db2.gz	MAUCZPMZPVAQSY-PZJWPPBQSA-N	1	1	374.529	2.298	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1	ZINC000369523966	556619464	/nfs/dbraw/zinc/61/94/64/556619464.db2.gz	YBYZLEUHJQWRMW-ZWKOTPCHSA-N	1	1	354.454	2.166	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)N(C)CCOCc1ccc(C#N)cc1	ZINC000516208072	562036091	/nfs/dbraw/zinc/03/60/91/562036091.db2.gz	BGZQVIGDJAOWJF-UHFFFAOYSA-N	1	1	355.442	2.312	20	30		FEEDMO
N#Cc1ccc2ncc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)n2c1	ZINC000369682365	556667240	/nfs/dbraw/zinc/66/72/40/556667240.db2.gz	DXLDVGBFWOSLDL-UHFFFAOYSA-N	1	1	351.370	2.148	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)n1	ZINC000369784586	556693931	/nfs/dbraw/zinc/69/39/31/556693931.db2.gz	PEQXZTLXOZNPNZ-HNNXBMFYSA-N	1	1	358.471	2.321	20	30		FEEDMO
Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)n1	ZINC000369900654	556725109	/nfs/dbraw/zinc/72/51/09/556725109.db2.gz	PNOIOLYIZZPGKE-LJQANCHMSA-N	1	1	363.465	2.454	20	30		FEEDMO
Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)n1	ZINC000369900654	556725111	/nfs/dbraw/zinc/72/51/11/556725111.db2.gz	PNOIOLYIZZPGKE-LJQANCHMSA-N	1	1	363.465	2.454	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@H](C)[N@@H+](C)C3CC3)C2)n1	ZINC000369938363	556736042	/nfs/dbraw/zinc/73/60/42/556736042.db2.gz	UOERWBSKPGCXHK-RDJZCZTQSA-N	1	1	355.486	2.077	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)C2)n1	ZINC000369938364	556736229	/nfs/dbraw/zinc/73/62/29/556736229.db2.gz	UOERWBSKPGCXHK-WBVHZDCISA-N	1	1	355.486	2.077	20	30		FEEDMO
C[C@H](NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccc(Cl)cc1	ZINC000370118458	556786020	/nfs/dbraw/zinc/78/60/20/556786020.db2.gz	BARLIRCXNUKPJH-ZDUSSCGKSA-N	1	1	372.860	2.317	20	30		FEEDMO
CN1CCC[C@]2(CC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)C1=O	ZINC000370409028	556864811	/nfs/dbraw/zinc/86/48/11/556864811.db2.gz	AIDZJXIEKZXJIT-LJQANCHMSA-N	1	1	372.494	2.185	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1	ZINC000370416763	556866360	/nfs/dbraw/zinc/86/63/60/556866360.db2.gz	ZPISNLSPZQYVQO-HNNXBMFYSA-N	1	1	360.458	2.288	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(c2cccnn2)CC1	ZINC000370421870	556868095	/nfs/dbraw/zinc/86/80/95/556868095.db2.gz	BTDCHUVNWAJARK-UHFFFAOYSA-N	1	1	364.453	2.278	20	30		FEEDMO
C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000518689017	562116526	/nfs/dbraw/zinc/11/65/26/562116526.db2.gz	GJIGYYGCZZFYNM-WIBUTAKZSA-N	1	1	354.454	2.341	20	30		FEEDMO
CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000372288415	557430636	/nfs/dbraw/zinc/43/06/36/557430636.db2.gz	KOFLMCBWDDVGHZ-HZPDHXFCSA-N	1	1	370.409	2.151	20	30		FEEDMO
CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000372288415	557430638	/nfs/dbraw/zinc/43/06/38/557430638.db2.gz	KOFLMCBWDDVGHZ-HZPDHXFCSA-N	1	1	370.409	2.151	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1	ZINC000372341372	557445069	/nfs/dbraw/zinc/44/50/69/557445069.db2.gz	BITKPIWRBIMZTF-MJGOQNOKSA-N	1	1	356.470	2.373	20	30		FEEDMO
Cc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)nn1-c1cccc(C#N)c1	ZINC000372378216	557454666	/nfs/dbraw/zinc/45/46/66/557454666.db2.gz	PVRSQTRDHLEUSL-PBHICJAKSA-N	1	1	366.469	2.999	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C	ZINC000372478311	557481023	/nfs/dbraw/zinc/48/10/23/557481023.db2.gz	QBXIMHMMHYDTLH-FCGDIQPGSA-N	1	1	351.535	2.279	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C	ZINC000372478311	557481026	/nfs/dbraw/zinc/48/10/26/557481026.db2.gz	QBXIMHMMHYDTLH-FCGDIQPGSA-N	1	1	351.535	2.279	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1	ZINC000372487301	557483985	/nfs/dbraw/zinc/48/39/85/557483985.db2.gz	NRLSRAMLMLCTGT-UHFFFAOYSA-N	1	1	352.438	2.376	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1	ZINC000372487301	557483989	/nfs/dbraw/zinc/48/39/89/557483989.db2.gz	NRLSRAMLMLCTGT-UHFFFAOYSA-N	1	1	352.438	2.376	20	30		FEEDMO
COC(=O)c1ccc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C#N)n1	ZINC000519667312	562139176	/nfs/dbraw/zinc/13/91/76/562139176.db2.gz	DLCXDJYCZKHMTA-GASCZTMLSA-N	1	1	372.469	2.065	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](n2ccnn2)C1	ZINC000519768425	562143211	/nfs/dbraw/zinc/14/32/11/562143211.db2.gz	XHIXICCCEMQJPF-IUODEOHRSA-N	1	1	358.833	2.467	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](n2ccnn2)C1	ZINC000519768425	562143212	/nfs/dbraw/zinc/14/32/12/562143212.db2.gz	XHIXICCCEMQJPF-IUODEOHRSA-N	1	1	358.833	2.467	20	30		FEEDMO
N#Cc1ncccc1S(=O)(=O)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000372954351	557596323	/nfs/dbraw/zinc/59/63/23/557596323.db2.gz	LXBKTUNMZFOSSF-UHFFFAOYSA-N	1	1	362.499	2.230	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000372968265	557599556	/nfs/dbraw/zinc/59/95/56/557599556.db2.gz	YLXJDJCMKDCBGG-HZPDHXFCSA-N	1	1	364.490	2.080	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000372968265	557599560	/nfs/dbraw/zinc/59/95/60/557599560.db2.gz	YLXJDJCMKDCBGG-HZPDHXFCSA-N	1	1	364.490	2.080	20	30		FEEDMO
Cc1ccccc1C[NH+]1CCN(CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000519907537	562147584	/nfs/dbraw/zinc/14/75/84/562147584.db2.gz	GXXVGPPTBFSVEC-UHFFFAOYSA-N	1	1	362.477	2.301	20	30		FEEDMO
C=CCN(C(=O)[C@H](OC)c1cnn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000373987030	557801560	/nfs/dbraw/zinc/80/15/60/557801560.db2.gz	WKAQBLPXRMZBJZ-VQTJNVASSA-N	1	1	368.481	2.397	20	30		FEEDMO
Cn1cc([C@@H]2[C@H](CNC(=O)NCC3CCC(C#N)CC3)CCC[N@H+]2C)cn1	ZINC000374143359	557831131	/nfs/dbraw/zinc/83/11/31/557831131.db2.gz	MCFKPNQRZKXBGI-AKSNENBUSA-N	1	1	372.517	2.432	20	30		FEEDMO
C=CCN(C(=O)NCC[N@H+](C)C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000520923324	562166128	/nfs/dbraw/zinc/16/61/28/562166128.db2.gz	KMHSIEKGBFQXQF-MRXNPFEDSA-N	1	1	371.489	2.261	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@]12C(=O)Nc1ccccc12	ZINC000374363587	557872041	/nfs/dbraw/zinc/87/20/41/557872041.db2.gz	CJXSELLFDDBWLB-MLGOLLRUSA-N	1	1	353.344	2.301	20	30		FEEDMO
N#C[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@]12C(=O)Nc1ccccc12	ZINC000374363587	557872042	/nfs/dbraw/zinc/87/20/42/557872042.db2.gz	CJXSELLFDDBWLB-MLGOLLRUSA-N	1	1	353.344	2.301	20	30		FEEDMO
CC(C)c1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1	ZINC000374548107	557898090	/nfs/dbraw/zinc/89/80/90/557898090.db2.gz	FXIBBCJVYOVVDA-HUUCEWRRSA-N	1	1	353.492	2.122	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1COc1ccc(F)cc1	ZINC000374619840	557907848	/nfs/dbraw/zinc/90/78/48/557907848.db2.gz	LBSJRTKBBOYUGI-KRWDZBQOSA-N	1	1	358.417	2.325	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1COc1ccc(F)cc1	ZINC000374619840	557907850	/nfs/dbraw/zinc/90/78/50/557907850.db2.gz	LBSJRTKBBOYUGI-KRWDZBQOSA-N	1	1	358.417	2.325	20	30		FEEDMO
Cc1nc(CO[C@H]2CC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)cs1	ZINC000374859115	557942178	/nfs/dbraw/zinc/94/21/78/557942178.db2.gz	DQVIDXQKMXVJHX-SFHVURJKSA-N	1	1	370.478	2.231	20	30		FEEDMO
Cc1nc(CO[C@H]2CC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)cs1	ZINC000374859115	557942179	/nfs/dbraw/zinc/94/21/79/557942179.db2.gz	DQVIDXQKMXVJHX-SFHVURJKSA-N	1	1	370.478	2.231	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2	ZINC000375016698	557964955	/nfs/dbraw/zinc/96/49/55/557964955.db2.gz	FUIGJNHFNXQENE-OAHLLOKOSA-N	1	1	351.491	2.400	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000375019457	557965140	/nfs/dbraw/zinc/96/51/40/557965140.db2.gz	LDAKWYAREXARSC-JENIJYKNSA-N	1	1	370.497	2.356	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1	ZINC000375019459	557965360	/nfs/dbraw/zinc/96/53/60/557965360.db2.gz	LDAKWYAREXARSC-LNLFQRSKSA-N	1	1	370.497	2.356	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C[C@H]21	ZINC000375053972	557970877	/nfs/dbraw/zinc/97/08/77/557970877.db2.gz	JHMIEICGGFVPIB-GDBMZVCRSA-N	1	1	372.494	2.183	20	30		FEEDMO
CCOC(=O)c1nn(C)cc1C[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000375225887	557994867	/nfs/dbraw/zinc/99/48/67/557994867.db2.gz	KIGZDEREALTVEP-UHFFFAOYSA-N	1	1	367.453	2.181	20	30		FEEDMO
CCOC(=O)c1nn(C)cc1C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000375225887	557994868	/nfs/dbraw/zinc/99/48/68/557994868.db2.gz	KIGZDEREALTVEP-UHFFFAOYSA-N	1	1	367.453	2.181	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O	ZINC000375311968	558007545	/nfs/dbraw/zinc/00/75/45/558007545.db2.gz	ZGPLNJXCBFTNQD-LHSJRXKWSA-N	1	1	360.417	2.481	20	30		FEEDMO
C[C@@H](CO)[N@H+]1CCCN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1	ZINC000375482151	558035284	/nfs/dbraw/zinc/03/52/84/558035284.db2.gz	HZGCKXMQSNSMDD-JPOGYNCRSA-N	1	1	371.525	2.256	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)C1=O	ZINC000375595319	558054502	/nfs/dbraw/zinc/05/45/02/558054502.db2.gz	GYXADFOATZQXMH-KBPBESRZSA-N	1	1	355.360	2.340	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)C1=O	ZINC000375595319	558054503	/nfs/dbraw/zinc/05/45/03/558054503.db2.gz	GYXADFOATZQXMH-KBPBESRZSA-N	1	1	355.360	2.340	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@@H+](CCCSCC#N)C2)CC1	ZINC000375898105	558095691	/nfs/dbraw/zinc/09/56/91/558095691.db2.gz	OVDUASYFXJJPNN-MRXNPFEDSA-N	1	1	368.547	2.260	20	30		FEEDMO
C#CCC(CC#C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000376674627	558206590	/nfs/dbraw/zinc/20/65/90/558206590.db2.gz	TXEQNATZKQZFPJ-HXUWFJFHSA-N	1	1	365.477	2.454	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[N@H+](C)C3CCCC3)C2)n1	ZINC000376783001	558220930	/nfs/dbraw/zinc/22/09/30/558220930.db2.gz	PGOMHIPWOMDYSM-SFHVURJKSA-N	1	1	369.513	2.469	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC1	ZINC000377468712	558345897	/nfs/dbraw/zinc/34/58/97/558345897.db2.gz	OVQMWQCCMBEPDN-HNNXBMFYSA-N	1	1	360.483	2.425	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OC	ZINC000377472993	558346849	/nfs/dbraw/zinc/34/68/49/558346849.db2.gz	PZWIBOOHIXICIC-VGSQKHLPSA-N	1	1	372.465	2.253	20	30		FEEDMO
C#Cc1ccccc1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000377939116	558449154	/nfs/dbraw/zinc/44/91/54/558449154.db2.gz	JFAINZVBHOHYAC-GHTZIAJQSA-N	1	1	350.466	2.143	20	30		FEEDMO
C=CCN(C(=O)[C@H](O)c1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000378318451	558528619	/nfs/dbraw/zinc/52/86/19/558528619.db2.gz	UVRUCSWRMWCVEJ-WOJBJXKFSA-N	1	1	351.450	2.404	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)cc1	ZINC000378391345	558546319	/nfs/dbraw/zinc/54/63/19/558546319.db2.gz	XDBKGQWSTOMKAN-GOSISDBHSA-N	1	1	366.465	2.221	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)cc1	ZINC000378391346	558546451	/nfs/dbraw/zinc/54/64/51/558546451.db2.gz	XDBKGQWSTOMKAN-SFHVURJKSA-N	1	1	366.465	2.221	20	30		FEEDMO
CN1CCN(c2cc(C[NH2+][C@@H]3CCC[C@@H]4O[C@@H](CC#N)C[C@@H]43)ccn2)CC1	ZINC000378466225	558564194	/nfs/dbraw/zinc/56/41/94/558564194.db2.gz	ZQUWVVFZAGUKQB-NMLBUPMWSA-N	1	1	369.513	2.163	20	30		FEEDMO
Cc1cc(=NC(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)[nH]n1CCC#N	ZINC000378517960	558573437	/nfs/dbraw/zinc/57/34/37/558573437.db2.gz	IPDAJNVUZMDOBE-MRXNPFEDSA-N	1	1	370.501	2.833	20	30		FEEDMO
Cc1cc(=NC(=O)N[C@H]2CC[N@H+](C3CCCCCC3)C2)[nH]n1CCC#N	ZINC000378517167	558573620	/nfs/dbraw/zinc/57/36/20/558573620.db2.gz	JQFXTLISPDJEDP-INIZCTEOSA-N	1	1	358.490	3.024	20	30		FEEDMO
CCc1ccc([C@@H](CNS(=O)(=O)N(CC)C[C@H](C)C#N)[NH+](C)C)cc1	ZINC000409551334	558702663	/nfs/dbraw/zinc/70/26/63/558702663.db2.gz	IIQQZBZWYIJBHM-CRAIPNDOSA-N	1	1	366.531	2.168	20	30		FEEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000409757163	558718567	/nfs/dbraw/zinc/71/85/67/558718567.db2.gz	DQFZWLDGAMBVIS-SJLPKXTDSA-N	1	1	366.469	2.081	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)N(C)C)C1	ZINC000411959077	558995220	/nfs/dbraw/zinc/99/52/20/558995220.db2.gz	VEWGCIROWKWCHP-GJZGRUSLSA-N	1	1	374.510	2.287	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)N(C)C)C1	ZINC000411959077	558995221	/nfs/dbraw/zinc/99/52/21/558995221.db2.gz	VEWGCIROWKWCHP-GJZGRUSLSA-N	1	1	374.510	2.287	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000413311905	559097960	/nfs/dbraw/zinc/09/79/60/559097960.db2.gz	JICPUAQHFGASAZ-AZUAARDMSA-N	1	1	358.530	2.357	20	30		FEEDMO
COc1cc(NC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)cc(OC)c1	ZINC000526135277	562267957	/nfs/dbraw/zinc/26/79/57/562267957.db2.gz	UFQILHRCONEJLP-UHFFFAOYSA-N	1	1	372.469	2.143	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1C#N	ZINC000416931502	559338925	/nfs/dbraw/zinc/33/89/25/559338925.db2.gz	LQNYWBBAMJWZRY-LSDHHAIUSA-N	1	1	360.458	2.264	20	30		FEEDMO
N#CC1(CNC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CCC1	ZINC000419631050	559450654	/nfs/dbraw/zinc/45/06/54/559450654.db2.gz	UNCUPJQVWGHIGQ-UHFFFAOYSA-N	1	1	371.485	2.009	20	30		FEEDMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000419645336	559451391	/nfs/dbraw/zinc/45/13/91/559451391.db2.gz	PKRFCRUPMXRDGW-HXUWFJFHSA-N	1	1	369.513	2.215	20	30		FEEDMO
C=CCC[C@H]1NC(=O)N(Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1=O	ZINC000419950256	559465910	/nfs/dbraw/zinc/46/59/10/559465910.db2.gz	MBNYUCVLYPLLLO-MAUKXSAKSA-N	1	1	357.454	2.294	20	30		FEEDMO
C=CCC[C@H]1NC(=O)N(Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1=O	ZINC000419950256	559465911	/nfs/dbraw/zinc/46/59/11/559465911.db2.gz	MBNYUCVLYPLLLO-MAUKXSAKSA-N	1	1	357.454	2.294	20	30		FEEDMO
C=CCC[C@@H]1NC(=O)N(Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1=O	ZINC000419950260	559466050	/nfs/dbraw/zinc/46/60/50/559466050.db2.gz	MBNYUCVLYPLLLO-QAPCUYQASA-N	1	1	357.454	2.294	20	30		FEEDMO
C=CCC[C@@H]1NC(=O)N(Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1=O	ZINC000419950260	559466051	/nfs/dbraw/zinc/46/60/51/559466051.db2.gz	MBNYUCVLYPLLLO-QAPCUYQASA-N	1	1	357.454	2.294	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1	ZINC000421508531	559543978	/nfs/dbraw/zinc/54/39/78/559543978.db2.gz	FIOCWNZBMZSYDQ-HKUYNNGSSA-N	1	1	357.498	2.138	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)C(=O)COc1ccc(C#N)c(Br)c1	ZINC000421708875	559550208	/nfs/dbraw/zinc/55/02/08/559550208.db2.gz	BIITYNHBYFCJBU-ZDUSSCGKSA-N	1	1	366.259	2.252	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C[C@@H]3CCC[N@H+]3C)C2)n1	ZINC000421715133	559550655	/nfs/dbraw/zinc/55/06/55/559550655.db2.gz	XBQXIASXWNAOMY-MSOLQXFVSA-N	1	1	355.486	2.031	20	30		FEEDMO
C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1	ZINC000422489663	559591615	/nfs/dbraw/zinc/59/16/15/559591615.db2.gz	PXWZVCLKKIRGKN-KRWDZBQOSA-N	1	1	370.497	2.165	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C	ZINC000422547666	559594303	/nfs/dbraw/zinc/59/43/03/559594303.db2.gz	XFYJPTMHYIIFHJ-RBUKOAKNSA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C	ZINC000422547666	559594304	/nfs/dbraw/zinc/59/43/04/559594304.db2.gz	XFYJPTMHYIIFHJ-RBUKOAKNSA-N	1	1	357.498	2.089	20	30		FEEDMO
N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1	ZINC000424164993	559656619	/nfs/dbraw/zinc/65/66/19/559656619.db2.gz	CXMPTWRHAHSTEG-HZPDHXFCSA-N	1	1	352.442	2.199	20	30		FEEDMO
N#CCCC[C@@H]([NH3+])C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1	ZINC000424192378	559657252	/nfs/dbraw/zinc/65/72/52/559657252.db2.gz	SCTWTEZVRWUQRX-OLZOCXBDSA-N	1	1	366.347	2.050	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2ncc3c(c2C#N)CCC3)CC1	ZINC000425230089	559692493	/nfs/dbraw/zinc/69/24/93/559692493.db2.gz	URHPLLWMIJCEIT-CALCHBBNSA-N	1	1	353.514	2.437	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1	ZINC000425469991	559703978	/nfs/dbraw/zinc/70/39/78/559703978.db2.gz	FGMUZBQUSDKQHH-FUHWJXTLSA-N	1	1	368.485	2.316	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ncc(C#N)cc2Cl)C[C@@H](C)O1	ZINC000427898028	559764858	/nfs/dbraw/zinc/76/48/58/559764858.db2.gz	SBUQRKPGHQRTCE-VXGBXAGGSA-N	1	1	350.850	2.224	20	30		FEEDMO
COC(=O)C(C)(C)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1	ZINC000428383164	559774300	/nfs/dbraw/zinc/77/43/00/559774300.db2.gz	UCESHJQHLNVYRK-UHFFFAOYSA-N	1	1	359.470	2.438	20	30		FEEDMO
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1	ZINC000428549550	559777712	/nfs/dbraw/zinc/77/77/12/559777712.db2.gz	QBCMAOGHUXGAAI-PZJWPPBQSA-N	1	1	374.444	2.446	20	30		FEEDMO
COC(=O)[C@]1(c2ccccc2)CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000428776148	559782900	/nfs/dbraw/zinc/78/29/00/559782900.db2.gz	CNRGCHOHFQEODH-OAQYLSRUSA-N	1	1	363.417	2.313	20	30		FEEDMO
COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000428776148	559782901	/nfs/dbraw/zinc/78/29/01/559782901.db2.gz	CNRGCHOHFQEODH-OAQYLSRUSA-N	1	1	363.417	2.313	20	30		FEEDMO
COC(=O)c1ccccc1OCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428785561	559783260	/nfs/dbraw/zinc/78/32/60/559783260.db2.gz	GVGCVGWJOOVUHT-INIZCTEOSA-N	1	1	367.405	2.272	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)NCCC[NH+]1CCN(C)CC1	ZINC000429911753	559808562	/nfs/dbraw/zinc/80/85/62/559808562.db2.gz	SWVTZWRIEXMKBF-UHFFFAOYSA-N	1	1	356.495	2.449	20	30		FEEDMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H](C)O1	ZINC000432047853	559850997	/nfs/dbraw/zinc/85/09/97/559850997.db2.gz	IXKKILOXPFPBED-GJZGRUSLSA-N	1	1	358.486	2.242	20	30		FEEDMO
CCC(CC)[C@@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)[NH+]1CCOCC1	ZINC000432493434	559859757	/nfs/dbraw/zinc/85/97/57/559859757.db2.gz	BEZHZAGALMAKFE-HXUWFJFHSA-N	1	1	372.513	2.491	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(c2[nH+]ccn2C)CC1	ZINC000436456810	559941999	/nfs/dbraw/zinc/94/19/99/559941999.db2.gz	UUWSWVUQYIRANQ-GOSISDBHSA-N	1	1	367.453	2.044	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@](COC)(C(=O)OCC)C1	ZINC000439479465	559995051	/nfs/dbraw/zinc/99/50/51/559995051.db2.gz	SKDZLXDUEBXRPX-VQIMIIECSA-N	1	1	354.491	2.091	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)[N@H+]1CCC[C@H](C)C1	ZINC000440058332	560003914	/nfs/dbraw/zinc/00/39/14/560003914.db2.gz	CGBCTRIKYWLSJQ-KBPBESRZSA-N	1	1	353.463	2.237	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)CC[N@H+]1C	ZINC000442126014	560044352	/nfs/dbraw/zinc/04/43/52/560044352.db2.gz	FZJIEERDIUESCK-UONOGXRCSA-N	1	1	360.483	2.230	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000442144976	560044966	/nfs/dbraw/zinc/04/49/66/560044966.db2.gz	YWDXKCHEMUHMTB-ILXRZTDVSA-N	1	1	374.510	2.476	20	30		FEEDMO
CCC[C@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[N@H+]1CCOC	ZINC000442725520	560055386	/nfs/dbraw/zinc/05/53/86/560055386.db2.gz	YYVYABZCHQYUEZ-ABHNRTSZSA-N	1	1	350.507	2.459	20	30		FEEDMO
CCOc1ccnc(N2CCC[N@@H+](Cc3ccc(C#N)c(OC)c3)CC2)n1	ZINC000442881143	560060932	/nfs/dbraw/zinc/06/09/32/560060932.db2.gz	LUMHSVUSTUUCNV-UHFFFAOYSA-N	1	1	367.453	2.468	20	30		FEEDMO
CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1=O	ZINC000442997914	560065516	/nfs/dbraw/zinc/06/55/16/560065516.db2.gz	CHBQRZXQEWXVET-HZPDHXFCSA-N	1	1	361.442	2.208	20	30		FEEDMO
C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(C#N)c(O)c3)nc2)C1	ZINC000443066670	560069037	/nfs/dbraw/zinc/06/90/37/560069037.db2.gz	RXOAMAYEUPRYIT-INIZCTEOSA-N	1	1	351.410	2.051	20	30		FEEDMO
CCCC[N@@H+](C)CCNS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000443470157	560084710	/nfs/dbraw/zinc/08/47/10/560084710.db2.gz	ATJSIVLDWGQHBF-UHFFFAOYSA-N	1	1	374.304	2.331	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000446634530	560148796	/nfs/dbraw/zinc/14/87/96/560148796.db2.gz	MIFHOLBACMWCLG-UHFFFAOYSA-N	1	1	371.485	2.379	20	30		FEEDMO
COc1cc(OC)nc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000448163213	560179461	/nfs/dbraw/zinc/17/94/61/560179461.db2.gz	CGZCCSXWXZTLMV-UHFFFAOYSA-N	1	1	353.426	2.078	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1	ZINC000448323470	560184412	/nfs/dbraw/zinc/18/44/12/560184412.db2.gz	XVOWJPUIQXZCNJ-KRWDZBQOSA-N	1	1	359.470	2.427	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000448676868	560193573	/nfs/dbraw/zinc/19/35/73/560193573.db2.gz	JZGDTPPKTJEZBN-FQEVSTJZSA-N	1	1	365.481	2.303	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1	ZINC000448676868	560193574	/nfs/dbraw/zinc/19/35/74/560193574.db2.gz	JZGDTPPKTJEZBN-FQEVSTJZSA-N	1	1	365.481	2.303	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000448676868	560193575	/nfs/dbraw/zinc/19/35/75/560193575.db2.gz	JZGDTPPKTJEZBN-FQEVSTJZSA-N	1	1	365.481	2.303	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)COc1cccc(Br)c1C#N	ZINC000449819791	560241159	/nfs/dbraw/zinc/24/11/59/560241159.db2.gz	JSVNAKQLJNAIEX-UHFFFAOYSA-N	1	1	363.215	2.021	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000449927869	560245560	/nfs/dbraw/zinc/24/55/60/560245560.db2.gz	PJNAMXJAMZYMPR-HNNXBMFYSA-N	1	1	351.454	2.135	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000450128915	560251579	/nfs/dbraw/zinc/25/15/79/560251579.db2.gz	IMFKOCFITRFVNU-FYQPLNBISA-N	1	1	358.482	2.373	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000450128915	560251580	/nfs/dbraw/zinc/25/15/80/560251580.db2.gz	IMFKOCFITRFVNU-FYQPLNBISA-N	1	1	358.482	2.373	20	30		FEEDMO
C[C@H]1C[C@H]1c1nnc2ccc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)nn21	ZINC000450220954	560254260	/nfs/dbraw/zinc/25/42/60/560254260.db2.gz	MVWLLJHBISXEQU-MAUKXSAKSA-N	1	1	373.464	2.442	20	30		FEEDMO
CCn1cc(C[N@@H+]2CCCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)cn1	ZINC000450321967	560258698	/nfs/dbraw/zinc/25/86/98/560258698.db2.gz	WHVGQUGCDWQQFK-UHFFFAOYSA-N	1	1	354.414	2.395	20	30		FEEDMO
CCn1cc(C[N@H+]2CCCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)cn1	ZINC000450321967	560258699	/nfs/dbraw/zinc/25/86/99/560258699.db2.gz	WHVGQUGCDWQQFK-UHFFFAOYSA-N	1	1	354.414	2.395	20	30		FEEDMO
C[N@@H+](CCN1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)Cc1ccccc1	ZINC000450611916	560267979	/nfs/dbraw/zinc/26/79/79/560267979.db2.gz	JMCHPDGGDHKCGZ-AVRDEDQJSA-N	1	1	360.461	2.464	20	30		FEEDMO
CO[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1C	ZINC000451561618	560314903	/nfs/dbraw/zinc/31/49/03/560314903.db2.gz	JAIRKPSLZXQYNB-YOEHRIQHSA-N	1	1	353.426	2.039	20	30		FEEDMO
CO[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1C	ZINC000451561618	560314904	/nfs/dbraw/zinc/31/49/04/560314904.db2.gz	JAIRKPSLZXQYNB-YOEHRIQHSA-N	1	1	353.426	2.039	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1	ZINC000451703128	560323222	/nfs/dbraw/zinc/32/32/22/560323222.db2.gz	DOCRMHOTMOEOHG-RBUKOAKNSA-N	1	1	356.514	2.448	20	30		FEEDMO
C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCOC(C)C)CC1	ZINC000453444489	560386833	/nfs/dbraw/zinc/38/68/33/560386833.db2.gz	SDDYDMAJNVKQFN-KRWDZBQOSA-N	1	1	363.506	2.253	20	30		FEEDMO
C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[N@H+](C(C)C)CC1	ZINC000453454731	560387121	/nfs/dbraw/zinc/38/71/21/560387121.db2.gz	QSAGSONDPQYMBV-QGZVFWFLSA-N	1	1	365.522	2.499	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](CCOCC)[C@H](C)C1	ZINC000453459535	560387212	/nfs/dbraw/zinc/38/72/12/560387212.db2.gz	CRLXNDVWAUOPAB-SJORKVTESA-N	1	1	363.506	2.253	20	30		FEEDMO
N#CCc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c(Cl)c1	ZINC000453647326	560393174	/nfs/dbraw/zinc/39/31/74/560393174.db2.gz	VSFUYGMLPZBYJF-AWEZNQCLSA-N	1	1	374.872	2.478	20	30		FEEDMO
N#CCc1cccc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1	ZINC000453649373	560393289	/nfs/dbraw/zinc/39/32/89/560393289.db2.gz	LDLYPVGDSAJBFA-UHFFFAOYSA-N	1	1	354.454	2.168	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)CC[C@@H]21	ZINC000453670694	560395407	/nfs/dbraw/zinc/39/54/07/560395407.db2.gz	JLKRTNMRDUKIKY-YOEHRIQHSA-N	1	1	374.872	2.287	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[N@H+]1C1CC1	ZINC000453681424	560396262	/nfs/dbraw/zinc/39/62/62/560396262.db2.gz	UYCIBLPBBKJVJV-AAEUAGOBSA-N	1	1	360.845	2.086	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453684122	560396529	/nfs/dbraw/zinc/39/65/29/560396529.db2.gz	AUBYFEOAWSJGFU-UHFFFAOYSA-N	1	1	350.850	2.193	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1	ZINC000453688833	560396900	/nfs/dbraw/zinc/39/69/00/560396900.db2.gz	HNUQASLQIFZWGD-OALUTQOASA-N	1	1	362.433	2.367	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1	ZINC000453701628	560397948	/nfs/dbraw/zinc/39/79/48/560397948.db2.gz	UDUZMYLJADAYKP-UHFFFAOYSA-N	1	1	368.412	2.193	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000453704797	560398191	/nfs/dbraw/zinc/39/81/91/560398191.db2.gz	TXMYZMQXEGKAQD-WBVHZDCISA-N	1	1	368.481	2.460	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453713521	560399051	/nfs/dbraw/zinc/39/90/51/560399051.db2.gz	INVAYAPUVQZKEK-MLGOLLRUSA-N	1	1	362.861	2.143	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453761926	560402423	/nfs/dbraw/zinc/40/24/23/560402423.db2.gz	VWMDOULIJRWWHE-UHFFFAOYSA-N	1	1	368.437	2.265	20	30		FEEDMO
C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)C2)C1	ZINC000453772720	560403395	/nfs/dbraw/zinc/40/33/95/560403395.db2.gz	QFRMWXSTTUFDAG-IBGZPJMESA-N	1	1	374.872	2.289	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)cc1C#N	ZINC000454103013	560429461	/nfs/dbraw/zinc/42/94/61/560429461.db2.gz	LXWVPLWUYIVWLU-UHFFFAOYSA-N	1	1	372.469	2.275	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CCO)C[C@@H]1C	ZINC000454751516	560456879	/nfs/dbraw/zinc/45/68/79/560456879.db2.gz	KTVBPKAUOMUOMC-CABCVRRESA-N	1	1	362.499	2.469	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C	ZINC000454751516	560456880	/nfs/dbraw/zinc/45/68/80/560456880.db2.gz	KTVBPKAUOMUOMC-CABCVRRESA-N	1	1	362.499	2.469	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO	ZINC000458663976	560639292	/nfs/dbraw/zinc/63/92/92/560639292.db2.gz	VBGOQRXXOPDHKG-SFHVURJKSA-N	1	1	358.486	2.382	20	30		FEEDMO
C=C(C)[C@@H](NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)c1ccc(F)c(F)c1	ZINC000458669785	560639737	/nfs/dbraw/zinc/63/97/37/560639737.db2.gz	KXFJVPXPRWZTAI-SUMWQHHRSA-N	1	1	353.413	2.290	20	30		FEEDMO
C=C(C)[C@@H](NC(=O)N1CC[N@H+](CCO)C[C@@H]1C)c1ccc(F)c(F)c1	ZINC000458669785	560639738	/nfs/dbraw/zinc/63/97/38/560639738.db2.gz	KXFJVPXPRWZTAI-SUMWQHHRSA-N	1	1	353.413	2.290	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1	ZINC000459586739	560696008	/nfs/dbraw/zinc/69/60/08/560696008.db2.gz	PMBJJONLYQIMAB-ZMYBRWDISA-N	1	1	351.491	2.483	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000459674480	560701623	/nfs/dbraw/zinc/70/16/23/560701623.db2.gz	ZEPUIKVHBQYCDO-CQSZACIVSA-N	1	1	361.408	2.430	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@@](O)(CO)C2)c1	ZINC000459744612	560705740	/nfs/dbraw/zinc/70/57/40/560705740.db2.gz	ZTAYXGUJWCUZOD-NRFANRHFSA-N	1	1	352.434	2.456	20	30		FEEDMO
COC(=O)[C@@H](Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cccc(C#N)c1	ZINC000461098377	560761320	/nfs/dbraw/zinc/76/13/20/560761320.db2.gz	OVFJCVBGLZARGZ-UXHICEINSA-N	1	1	365.433	2.451	20	30		FEEDMO
CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000461621409	560777327	/nfs/dbraw/zinc/77/73/27/560777327.db2.gz	UZCNZOFDGGCBMK-CQSZACIVSA-N	1	1	354.458	2.176	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@H]3CCC[C@@H]3C#N)c2)CCO1	ZINC000461941153	560788951	/nfs/dbraw/zinc/78/89/51/560788951.db2.gz	NFYOAMJWSZVYGO-LZQZEXGQSA-N	1	1	356.470	2.399	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@H]3CCC[C@@H]3C#N)c2)CCO1	ZINC000461941153	560788952	/nfs/dbraw/zinc/78/89/52/560788952.db2.gz	NFYOAMJWSZVYGO-LZQZEXGQSA-N	1	1	356.470	2.399	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C	ZINC000463672195	560820829	/nfs/dbraw/zinc/82/08/29/560820829.db2.gz	IFVPTLMCAZGIMT-UONOGXRCSA-N	1	1	351.472	2.108	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1C	ZINC000465874271	560874576	/nfs/dbraw/zinc/87/45/76/560874576.db2.gz	MNYQLFGNTALBDH-HYVNUMGLSA-N	1	1	373.476	2.448	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCSC[C@H]2CCO)cc1Cl	ZINC000470210937	560976664	/nfs/dbraw/zinc/97/66/64/560976664.db2.gz	XKUGJYGWHJVOHI-CQSZACIVSA-N	1	1	353.875	2.340	20	30		FEEDMO
C=CCOCCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1	ZINC000470780808	560989519	/nfs/dbraw/zinc/98/95/19/560989519.db2.gz	IOLODDZQKMDBHA-MRXNPFEDSA-N	1	1	356.463	2.161	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1	ZINC000471065890	560997377	/nfs/dbraw/zinc/99/73/77/560997377.db2.gz	KUBMOOQCRDPLJY-RTBURBONSA-N	1	1	370.497	2.257	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1	ZINC000471065890	560997378	/nfs/dbraw/zinc/99/73/78/560997378.db2.gz	KUBMOOQCRDPLJY-RTBURBONSA-N	1	1	370.497	2.257	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@H+](C)CC[C@@H]3C)C2)n1	ZINC000471953477	561014898	/nfs/dbraw/zinc/01/48/98/561014898.db2.gz	QLEADHPNSNRUTK-WMZOPIPTSA-N	1	1	355.486	2.031	20	30		FEEDMO
CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000471957413	561015117	/nfs/dbraw/zinc/01/51/17/561015117.db2.gz	UZEXQOTXYOHULS-GOSISDBHSA-N	1	1	357.502	2.326	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1)CC1(O)CCCC1	ZINC000474220379	561068729	/nfs/dbraw/zinc/06/87/29/561068729.db2.gz	UXNLZTZCQJIWBN-UHFFFAOYSA-N	1	1	368.481	2.450	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1	ZINC000476041404	561110142	/nfs/dbraw/zinc/11/01/42/561110142.db2.gz	MXFXHBRXLAEYIT-AZUAARDMSA-N	1	1	356.514	2.464	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)Cc3ccc(C#N)nc3)c2)CCO1	ZINC000528185617	562318154	/nfs/dbraw/zinc/31/81/54/562318154.db2.gz	BEWKGNZPIYYGRD-MRXNPFEDSA-N	1	1	364.449	2.033	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)Cc3ccc(C#N)nc3)c2)CCO1	ZINC000528185617	562318155	/nfs/dbraw/zinc/31/81/55/562318155.db2.gz	BEWKGNZPIYYGRD-MRXNPFEDSA-N	1	1	364.449	2.033	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)CC1	ZINC000528322312	562322438	/nfs/dbraw/zinc/32/24/38/562322438.db2.gz	FMIVORZRGQMTNG-QGZVFWFLSA-N	1	1	356.463	2.083	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1	ZINC000528405414	562327186	/nfs/dbraw/zinc/32/71/86/562327186.db2.gz	SIIRNGHPUXTFOP-KURKYZTESA-N	1	1	356.422	2.479	20	30		FEEDMO
COc1cccc([C@H](C)[NH+]2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)c1	ZINC000528428241	562328805	/nfs/dbraw/zinc/32/88/05/562328805.db2.gz	ZBYFVRCJQMDXIE-INIZCTEOSA-N	1	1	364.449	2.410	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1	ZINC000528635526	562339250	/nfs/dbraw/zinc/33/92/50/562339250.db2.gz	AGUBZHAYHXZFND-GOSISDBHSA-N	1	1	357.454	2.140	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN1CCC(C)([NH+]2CCOCC2)CC1	ZINC000528726451	562344125	/nfs/dbraw/zinc/34/41/25/562344125.db2.gz	BGTSTNPCEXOIGQ-UHFFFAOYSA-N	1	1	359.470	2.132	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]3c3ccc(=O)[nH]n3)C2=O)cc1	ZINC000528785165	562347751	/nfs/dbraw/zinc/34/77/51/562347751.db2.gz	AQEKTOKCAKDZNX-MSOLQXFVSA-N	1	1	363.421	2.386	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H]3c3ccc(=O)[nH]n3)C2=O)cc1	ZINC000528785165	562347752	/nfs/dbraw/zinc/34/77/52/562347752.db2.gz	AQEKTOKCAKDZNX-MSOLQXFVSA-N	1	1	363.421	2.386	20	30		FEEDMO
Cc1ccccc1C(=O)NC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000530335346	562407282	/nfs/dbraw/zinc/40/72/82/562407282.db2.gz	GICNJTPGFOQOKX-MRXNPFEDSA-N	1	1	368.481	2.140	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2C)c1C#N	ZINC000530413776	562410229	/nfs/dbraw/zinc/41/02/29/562410229.db2.gz	AGUYSDBSMXJYPV-SJCJKPOMSA-N	1	1	370.428	2.499	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1C#N	ZINC000530413776	562410230	/nfs/dbraw/zinc/41/02/30/562410230.db2.gz	AGUYSDBSMXJYPV-SJCJKPOMSA-N	1	1	370.428	2.499	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)c1ccc(C#N)cc1F)Cc1ccc(F)cc1	ZINC000530903751	562428008	/nfs/dbraw/zinc/42/80/08/562428008.db2.gz	DXKPZMHAQAXRBL-UHFFFAOYSA-N	1	1	365.405	2.247	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)c1ccc(C#N)cc1F)Cc1ccc(F)cc1	ZINC000530903751	562428009	/nfs/dbraw/zinc/42/80/09/562428009.db2.gz	DXKPZMHAQAXRBL-UHFFFAOYSA-N	1	1	365.405	2.247	20	30		FEEDMO
N#Cc1ccc(C[NH2+]CCCCN2CCN(c3ncccn3)CC2)c(F)c1	ZINC000533309826	562504840	/nfs/dbraw/zinc/50/48/40/562504840.db2.gz	XKVZUSPEAOFBDR-UHFFFAOYSA-N	1	1	368.460	2.179	20	30		FEEDMO
CC(C)(C)c1nc(CN2CC[NH+](CCOc3cccc(C#N)c3)CC2)no1	ZINC000533378479	562506902	/nfs/dbraw/zinc/50/69/02/562506902.db2.gz	KABYDOZUXZEKOZ-UHFFFAOYSA-N	1	1	369.469	2.435	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1	ZINC000533441421	562509032	/nfs/dbraw/zinc/50/90/32/562509032.db2.gz	BNNOGWOBPAQYCF-BKVYSMKUSA-N	1	1	374.529	2.393	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1	ZINC000533441421	562509033	/nfs/dbraw/zinc/50/90/33/562509033.db2.gz	BNNOGWOBPAQYCF-BKVYSMKUSA-N	1	1	374.529	2.393	20	30		FEEDMO
COc1ccc2c(c1)CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000535549838	562561068	/nfs/dbraw/zinc/56/10/68/562561068.db2.gz	MUNPHWLTPGXJLG-IBGZPJMESA-N	1	1	352.434	2.407	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N1CCC(C[N@@H+](C)C(C)C)CC1	ZINC000545922195	562631260	/nfs/dbraw/zinc/63/12/60/562631260.db2.gz	QMNBFLZBGVSFNX-UHFFFAOYSA-N	1	1	365.499	2.308	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@@H+]3CCOC4(CCOCC4)CC3)o2)c1	ZINC000545984041	562632379	/nfs/dbraw/zinc/63/23/79/562632379.db2.gz	OEJNGGGAHHAMLB-UHFFFAOYSA-N	1	1	354.410	2.380	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@H+]3CCOC4(CCOCC4)CC3)o2)c1	ZINC000545984041	562632380	/nfs/dbraw/zinc/63/23/80/562632380.db2.gz	OEJNGGGAHHAMLB-UHFFFAOYSA-N	1	1	354.410	2.380	20	30		FEEDMO
COc1cc(C#N)ccc1NC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000546001933	562632454	/nfs/dbraw/zinc/63/24/54/562632454.db2.gz	NVXMWATZXTXEMW-RDJZCZTQSA-N	1	1	358.442	2.332	20	30		FEEDMO
C=C(C)C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C(=O)OC	ZINC000601780679	567839525	/nfs/dbraw/zinc/83/95/25/567839525.db2.gz	BYYIJWFNYVKHOT-CYBMUJFWSA-N	1	1	364.352	2.443	20	30		FEEDMO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000602595820	567999516	/nfs/dbraw/zinc/99/95/16/567999516.db2.gz	DDBRPCXCKLXLEI-FXAWDEMLSA-N	1	1	357.498	2.442	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[C@H](C)N1CC#N	ZINC000603099569	568060389	/nfs/dbraw/zinc/06/03/89/568060389.db2.gz	RZQBLXJTRBXMCD-BETUJISGSA-N	1	1	374.395	2.263	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000603145964	568067665	/nfs/dbraw/zinc/06/76/65/568067665.db2.gz	OOOVOZWRJQBLEO-KMFMINBZSA-N	1	1	371.403	2.119	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)n1cc(C[NH+]2CCCC2)nn1	ZINC000603177976	568068267	/nfs/dbraw/zinc/06/82/67/568068267.db2.gz	RNDHPNXGPAXMJD-INIZCTEOSA-N	1	1	352.442	2.382	20	30		FEEDMO
COc1cc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1C#N	ZINC000568821567	568228646	/nfs/dbraw/zinc/22/86/46/568228646.db2.gz	BVXFNFJIYFMEEL-QZTJIDSGSA-N	1	1	372.469	2.009	20	30		FEEDMO
CC(C)CN1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000569595106	568409043	/nfs/dbraw/zinc/40/90/43/568409043.db2.gz	FONNMWKIGBBNBP-GOSISDBHSA-N	1	1	363.527	2.290	20	30		FEEDMO
N#Cc1nc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1C(F)(F)F	ZINC000558570436	674503881	/nfs/dbraw/zinc/50/38/81/674503881.db2.gz	KKRCIOWVDWNOMO-HIFRSBDPSA-N	1	1	354.376	3.027	20	30		FEEDMO
CC[N@@H+](CCC(=O)N(C)CCC#N)[C@H](C)c1ccc(-c2nn[nH]n2)cc1	ZINC000825419140	608088428	/nfs/dbraw/zinc/08/84/28/608088428.db2.gz	IHBSCNWLTVOCDY-CQSZACIVSA-N	1	1	355.446	2.012	20	30		FEEDMO
CC(C)C[N@@H+](CCC(=O)N(C)CCC#N)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000824255431	608203633	/nfs/dbraw/zinc/20/36/33/608203633.db2.gz	JKHQQIRADSVIQI-UHFFFAOYSA-N	1	1	369.473	2.087	20	30		FEEDMO
Cc1[nH+]c(C=NNc2ccc(S(=O)(=O)N(C)C)cc2)c2ccccn12	ZINC000812228810	674658335	/nfs/dbraw/zinc/65/83/35/674658335.db2.gz	ILNVEXBHFAOBHD-UHFFFAOYSA-N	1	1	357.439	2.339	20	30		FEEDMO
CON(C)C(=O)C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1	ZINC000812871420	674703889	/nfs/dbraw/zinc/70/38/89/674703889.db2.gz	JCDRSBBWBKKCKW-UHFFFAOYSA-N	1	1	351.834	2.474	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)COC	ZINC001048573746	675010805	/nfs/dbraw/zinc/01/08/05/675010805.db2.gz	FOFIQRFMKTVRPP-QKDSSNGWSA-N	1	1	350.503	2.362	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1c1snc(Cl)c1C#N	ZINC001048710788	675013395	/nfs/dbraw/zinc/01/33/95/675013395.db2.gz	IOABFOYHSGPXPU-KGYLQXTDSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@]34CCC[C@H]3OCC4)C[C@H]2C1	ZINC001048933642	675018840	/nfs/dbraw/zinc/01/88/40/675018840.db2.gz	FQBCRIVLUIERFD-DLTWYDFYSA-N	1	1	369.303	2.244	20	30		FEEDMO
C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@]34CCC[C@H]3OCC4)C[C@H]2C1	ZINC001048933642	675018841	/nfs/dbraw/zinc/01/88/41/675018841.db2.gz	FQBCRIVLUIERFD-DLTWYDFYSA-N	1	1	369.303	2.244	20	30		FEEDMO
N#Cc1ccc(SCC(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1	ZINC000609129230	675911030	/nfs/dbraw/zinc/91/10/30/675911030.db2.gz	BQZGIOGBPMGJEB-QGZVFWFLSA-N	1	1	359.495	2.364	20	30		FEEDMO
CC(=O)NCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000580712594	671826563	/nfs/dbraw/zinc/82/65/63/671826563.db2.gz	NFJFOWVYGCTADD-LBPRGKRZSA-N	1	1	362.499	2.141	20	30		FEEDMO
N#Cc1ncc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1Cl	ZINC000581174961	671870274	/nfs/dbraw/zinc/87/02/74/671870274.db2.gz	MIUAXXPRZHRWRF-GOEBONIOSA-N	1	1	363.849	2.372	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@H]2COc3ccc(Br)cc32)CC1	ZINC000124099129	671990652	/nfs/dbraw/zinc/99/06/52/671990652.db2.gz	UCROEPDBWYZHIZ-HNNXBMFYSA-N	1	1	363.255	2.093	20	30		FEEDMO
C#CCOc1ccc(Br)cc1C[NH2+]C1CN(C(=O)OC)C1	ZINC000178171494	672389649	/nfs/dbraw/zinc/38/96/49/672389649.db2.gz	GWDYVJWVZDZEQB-UHFFFAOYSA-N	1	1	353.216	2.001	20	30		FEEDMO
CN1CC[NH+](CCCNC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1	ZINC000611092790	676016852	/nfs/dbraw/zinc/01/68/52/676016852.db2.gz	MKRRAIAVAWWIJQ-UHFFFAOYSA-N	1	1	355.269	2.232	20	30		FEEDMO
C=CC[N@@H+](C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000190046185	672629824	/nfs/dbraw/zinc/62/98/24/672629824.db2.gz	QCNDGZTZDYAJOO-CRAIPNDOSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CC[N@H+](C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000190046185	672629829	/nfs/dbraw/zinc/62/98/29/672629829.db2.gz	QCNDGZTZDYAJOO-CRAIPNDOSA-N	1	1	372.531	2.309	20	30		FEEDMO
Cc1nnc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)[nH]1	ZINC000591053835	672645043	/nfs/dbraw/zinc/64/50/43/672645043.db2.gz	WMACEKFHQNTDDM-CYBMUJFWSA-N	1	1	358.833	2.456	20	30		FEEDMO
Cc1n[nH]c([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1	ZINC000591053835	672645045	/nfs/dbraw/zinc/64/50/45/672645045.db2.gz	WMACEKFHQNTDDM-CYBMUJFWSA-N	1	1	358.833	2.456	20	30		FEEDMO
Cc1n[nH]c([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n1	ZINC000591053835	672645046	/nfs/dbraw/zinc/64/50/46/672645046.db2.gz	WMACEKFHQNTDDM-CYBMUJFWSA-N	1	1	358.833	2.456	20	30		FEEDMO
Cc1nc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1	ZINC000591053835	672645048	/nfs/dbraw/zinc/64/50/48/672645048.db2.gz	WMACEKFHQNTDDM-CYBMUJFWSA-N	1	1	358.833	2.456	20	30		FEEDMO
Cc1nc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)n[nH]1	ZINC000591053835	672645050	/nfs/dbraw/zinc/64/50/50/672645050.db2.gz	WMACEKFHQNTDDM-CYBMUJFWSA-N	1	1	358.833	2.456	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)N1CC[C@](O)(CC#N)C1)c1ccccc1Cl	ZINC000591896554	672718995	/nfs/dbraw/zinc/71/89/95/672718995.db2.gz	OQTYVSVJVILOKA-DOTOQJQBSA-N	1	1	350.850	2.003	20	30		FEEDMO
C[N@@H+]1CC[C@H](NC(=O)N2CC[C@](O)(CC#N)C2)[C@H]1c1ccc(Cl)cc1	ZINC000591996905	672731161	/nfs/dbraw/zinc/73/11/61/672731161.db2.gz	GOFBBRLLEXDZQV-LZLYRXPVSA-N	1	1	362.861	2.145	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N2CC[C@](O)(CC#N)C2)[C@H]1c1ccc(Cl)cc1	ZINC000591996905	672731168	/nfs/dbraw/zinc/73/11/68/672731168.db2.gz	GOFBBRLLEXDZQV-LZLYRXPVSA-N	1	1	362.861	2.145	20	30		FEEDMO
CCCCCCCS(=O)(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000195233749	672779763	/nfs/dbraw/zinc/77/97/63/672779763.db2.gz	RRRMPUOKCLPCBB-SFHVURJKSA-N	1	1	359.580	2.389	20	30		FEEDMO
C=C(Br)CNC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C	ZINC000247128546	672846915	/nfs/dbraw/zinc/84/69/15/672846915.db2.gz	GYMMZULVWUOCPZ-GXTWGEPZSA-N	1	1	362.312	2.331	20	30		FEEDMO
C[NH+]=C(NCc1ccc(Br)cc1)N1CC[C@@H](N2CC=CC2)C1	ZINC000262761374	672920470	/nfs/dbraw/zinc/92/04/70/672920470.db2.gz	JNBMGCRJZFBBDQ-MRXNPFEDSA-N	1	1	363.303	2.471	20	30		FEEDMO
N#Cc1sccc1S(=O)(=O)NCCC[N@H+]1CCc2ccccc2C1	ZINC000593529990	672934894	/nfs/dbraw/zinc/93/48/94/672934894.db2.gz	FIUKZTHIFHBNJT-UHFFFAOYSA-N	1	1	361.492	2.346	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1ccsc1C#N)c1ccc(F)cc1	ZINC000593595600	672953952	/nfs/dbraw/zinc/95/39/52/672953952.db2.gz	ICYSNJJXFJIRRK-CYBMUJFWSA-N	1	1	353.444	2.340	20	30		FEEDMO
C[C@@H]1CN(Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C[C@@H](C)O1	ZINC000303899832	673018356	/nfs/dbraw/zinc/01/83/56/673018356.db2.gz	RTUCMSRUTBUDDU-HZPDHXFCSA-N	1	1	362.543	2.159	20	30		FEEDMO
CC(C)(C)OC(=O)NCC1([NH2+]Cc2nc(C#N)cs2)CCOCC1	ZINC000705699064	673062703	/nfs/dbraw/zinc/06/27/03/673062703.db2.gz	MFELBMUNVGSBRM-UHFFFAOYSA-N	1	1	352.460	2.178	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)[N@H+](C)C1	ZINC000329105117	673072601	/nfs/dbraw/zinc/07/26/01/673072601.db2.gz	DQXOEVOBGUQJAP-KKUMJFAQSA-N	1	1	367.446	2.034	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N2CSC[C@H]2C(=O)Nc2cccc(F)c2)[N@@H+](C)C1	ZINC000329105117	673072606	/nfs/dbraw/zinc/07/26/06/673072606.db2.gz	DQXOEVOBGUQJAP-KKUMJFAQSA-N	1	1	367.446	2.034	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@H](C)S1(=O)=O	ZINC000329804625	673083521	/nfs/dbraw/zinc/08/35/21/673083521.db2.gz	KGFVYFCITYSLMA-YESZJQIVSA-N	1	1	373.563	2.166	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCSC1	ZINC000330205328	673087316	/nfs/dbraw/zinc/08/73/16/673087316.db2.gz	DJDXQOYINDQPJP-PKOBYXMFSA-N	1	1	363.527	2.365	20	30		FEEDMO
C[C@@H](CNC(=S)Nc1ccc(C#N)c(Cl)c1)CN1CC[NH+](C)CC1	ZINC000726481331	673126067	/nfs/dbraw/zinc/12/60/67/673126067.db2.gz	RTHFZDOHOVBNSV-ZDUSSCGKSA-N	1	1	365.934	2.382	20	30		FEEDMO
C#CCNC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1	ZINC000726603152	673131527	/nfs/dbraw/zinc/13/15/27/673131527.db2.gz	YAWUYPFYIAHILF-CQSZACIVSA-N	1	1	358.829	2.319	20	30		FEEDMO
C#CCNC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1	ZINC000726603152	673131528	/nfs/dbraw/zinc/13/15/28/673131528.db2.gz	YAWUYPFYIAHILF-CQSZACIVSA-N	1	1	358.829	2.319	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@](C)(CCC)NC(=O)OC(C)(C)C)CC1	ZINC000727733328	673180872	/nfs/dbraw/zinc/18/08/72/673180872.db2.gz	ZZMQGPGGDGWOCE-IBGZPJMESA-N	1	1	351.491	2.237	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000595072106	673190797	/nfs/dbraw/zinc/19/07/97/673190797.db2.gz	FLWIQAOUAIGLLD-GFCCVEGCSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000595074691	673190920	/nfs/dbraw/zinc/19/09/20/673190920.db2.gz	UBWHZRXGEMAYPN-CYBMUJFWSA-N	1	1	362.861	2.387	20	30		FEEDMO
CCN(C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@@H]1CC[N@@H+](C)C1	ZINC000595110170	673194630	/nfs/dbraw/zinc/19/46/30/673194630.db2.gz	ICJDSXAQQMCJRJ-GFCCVEGCSA-N	1	1	362.499	2.408	20	30		FEEDMO
N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1	ZINC000595409276	673245351	/nfs/dbraw/zinc/24/53/51/673245351.db2.gz	CZXHQDOSHFYABB-OAHLLOKOSA-N	1	1	365.474	2.239	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)C1CCN(C(=O)OCC(C)C)CC1	ZINC000729812031	673249167	/nfs/dbraw/zinc/24/91/67/673249167.db2.gz	JTBRPWIRLQQDII-KRWDZBQOSA-N	1	1	350.459	2.132	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+](CCOCCO)C2CCC2)c(C#N)c1C	ZINC000595595767	673271240	/nfs/dbraw/zinc/27/12/40/673271240.db2.gz	MLXRLOKFWHHXAE-UHFFFAOYSA-N	1	1	351.472	2.039	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+](CCOCCO)C2CCC2)c(C#N)c1C	ZINC000595595767	673271241	/nfs/dbraw/zinc/27/12/41/673271241.db2.gz	MLXRLOKFWHHXAE-UHFFFAOYSA-N	1	1	351.472	2.039	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(F)cc1C	ZINC000731314703	673327914	/nfs/dbraw/zinc/32/79/14/673327914.db2.gz	KMQLDXLWAWAAEO-UHFFFAOYSA-N	1	1	352.479	2.045	20	30		FEEDMO
C[NH+]1CCC(CNc2nc(C#N)c(Cl)s2)(N2CCCCC2)CC1	ZINC000596138405	673362387	/nfs/dbraw/zinc/36/23/87/673362387.db2.gz	JRNJJDROUWSLQA-UHFFFAOYSA-N	1	1	353.923	3.030	20	30		FEEDMO
C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCNC2=O)cc1OC	ZINC000539898617	673512064	/nfs/dbraw/zinc/51/20/64/673512064.db2.gz	YRJHGSJGBMFQAL-ZDUSSCGKSA-N	1	1	369.259	2.343	20	30		FEEDMO
C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCNC2=O)cc1OC	ZINC000539898617	673512067	/nfs/dbraw/zinc/51/20/67/673512067.db2.gz	YRJHGSJGBMFQAL-ZDUSSCGKSA-N	1	1	369.259	2.343	20	30		FEEDMO
COC(=O)c1cnc([C@H]2CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2)s1	ZINC000598628216	673592699	/nfs/dbraw/zinc/59/26/99/673592699.db2.gz	LSGVRCGRSAIOTP-STQMWFEESA-N	1	1	351.472	2.410	20	30		FEEDMO
CC(C)OC(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599360867	673663784	/nfs/dbraw/zinc/66/37/84/673663784.db2.gz	RIWQLXSDZWPLOU-SJORKVTESA-N	1	1	352.475	2.111	20	30		FEEDMO
CO[C@@]1(C(F)(F)F)CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000599380547	673667076	/nfs/dbraw/zinc/66/70/76/673667076.db2.gz	VFFSPUZLYYRBOA-ZBFHGGJFSA-N	1	1	358.360	2.341	20	30		FEEDMO
N#CC[C@]1(O)CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1	ZINC000599455150	673677194	/nfs/dbraw/zinc/67/71/94/673677194.db2.gz	IDLOTRFOFDTDSB-HOCLYGCPSA-N	1	1	364.243	2.053	20	30		FEEDMO
N#CC[C@]1(O)CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1	ZINC000599455150	673677195	/nfs/dbraw/zinc/67/71/95/673677195.db2.gz	IDLOTRFOFDTDSB-HOCLYGCPSA-N	1	1	364.243	2.053	20	30		FEEDMO
N#CCNC(=O)C[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1	ZINC000599526057	673688648	/nfs/dbraw/zinc/68/86/48/673688648.db2.gz	CRJOLLWDWXPERO-CYBMUJFWSA-N	1	1	354.273	2.255	20	30		FEEDMO
N#CCNC(=O)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1	ZINC000599526057	673688651	/nfs/dbraw/zinc/68/86/51/673688651.db2.gz	CRJOLLWDWXPERO-CYBMUJFWSA-N	1	1	354.273	2.255	20	30		FEEDMO
C[C@@]1(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCS1	ZINC000600108769	673741363	/nfs/dbraw/zinc/74/13/63/673741363.db2.gz	UETGHNWUZKFYQH-KRWDZBQOSA-N	1	1	365.524	2.150	20	30		FEEDMO
COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccccc2SCC#N)CC1	ZINC000746618985	673886713	/nfs/dbraw/zinc/88/67/13/673886713.db2.gz	PIKOPSCKOGIJGE-AWEZNQCLSA-N	1	1	361.467	2.012	20	30		FEEDMO
N#Cc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)n1	ZINC000602528417	673907420	/nfs/dbraw/zinc/90/74/20/673907420.db2.gz	AZPSYOBBPZIAFC-UHFFFAOYSA-N	1	1	356.451	2.028	20	30		FEEDMO
CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C1	ZINC000603151527	673918268	/nfs/dbraw/zinc/91/82/68/673918268.db2.gz	ANFISKNOODMFRX-ZWKOTPCHSA-N	1	1	358.511	2.033	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H]1C	ZINC000819429625	675289789	/nfs/dbraw/zinc/28/97/89/675289789.db2.gz	XGLWBVKOESOBSQ-LSDHHAIUSA-N	1	1	352.479	2.126	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819459683	675292206	/nfs/dbraw/zinc/29/22/06/675292206.db2.gz	ZWVXMBSLWOEZSY-KFWWJZLASA-N	1	1	352.479	2.125	20	30		FEEDMO
C#C[C@H](NC(=O)N(C)CCC[NH+]1CCN(C)CC1)c1ccc(Cl)cc1	ZINC000820565069	675370780	/nfs/dbraw/zinc/37/07/80/675370780.db2.gz	JOYPUIYGRFHKDV-SFHVURJKSA-N	1	1	362.905	2.293	20	30		FEEDMO
CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O	ZINC000822582939	675493051	/nfs/dbraw/zinc/49/30/51/675493051.db2.gz	IRAXALLOSSSCNA-KBXCAEBGSA-N	1	1	352.479	2.030	20	30		FEEDMO
C#CCO[C@@H](C)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000822773352	675505906	/nfs/dbraw/zinc/50/59/06/675505906.db2.gz	UFKYSPVPIMAMCN-INIZCTEOSA-N	1	1	363.889	2.007	20	30		FEEDMO
N#Cc1ccc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c(CS(N)(=O)=O)c1	ZINC000603413233	675798382	/nfs/dbraw/zinc/79/83/82/675798382.db2.gz	NXNUYDLBJBSKNT-KRWDZBQOSA-N	1	1	362.499	2.166	20	30		FEEDMO
C#CC[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C1	ZINC000829794403	675891575	/nfs/dbraw/zinc/89/15/75/675891575.db2.gz	XHRLOQNINBPZSO-OAHLLOKOSA-N	1	1	361.873	2.438	20	30		FEEDMO
COCC(COC)[NH+]1CCN(Cc2cc(Cl)ccc2OCC#N)CC1	ZINC000839620971	680767282	/nfs/dbraw/zinc/76/72/82/680767282.db2.gz	FRMQJFDXVDQDRO-UHFFFAOYSA-N	1	1	367.877	2.021	20	30		FEEDMO
C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](C(COC)COC)CC1	ZINC000661421363	678482499	/nfs/dbraw/zinc/48/24/99/678482499.db2.gz	UOENBCYRRGMTMS-WMZOPIPTSA-N	1	1	353.507	2.110	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C	ZINC000747842497	679906693	/nfs/dbraw/zinc/90/66/93/679906693.db2.gz	GCPWXEPMTRJRFV-AWEZNQCLSA-N	1	1	354.495	2.230	20	30		FEEDMO
COC(=O)C1(C#N)CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1	ZINC000831691781	680026083	/nfs/dbraw/zinc/02/60/83/680026083.db2.gz	VOJNPLZESHIGAK-CQSZACIVSA-N	1	1	367.243	2.261	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnc(C)s2)C1	ZINC001020726851	680113676	/nfs/dbraw/zinc/11/36/76/680113676.db2.gz	XZAYKZZLDFLSPR-PSWFKFNGSA-N	1	1	350.488	2.126	20	30		FEEDMO
C=C(Cl)CNC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000751010966	680147682	/nfs/dbraw/zinc/14/76/82/680147682.db2.gz	PMDHLHJMEUXODR-UHFFFAOYSA-N	1	1	364.877	2.267	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)cs3)C[C@H]21	ZINC000978832173	680181556	/nfs/dbraw/zinc/18/15/56/680181556.db2.gz	VKYFRQJZWIZQAI-FDPKGLCPSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nc(C)cs3)C[C@H]21	ZINC000978832173	680181561	/nfs/dbraw/zinc/18/15/61/680181561.db2.gz	VKYFRQJZWIZQAI-FDPKGLCPSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C	ZINC000752084835	680222578	/nfs/dbraw/zinc/22/25/78/680222578.db2.gz	XUVBLHOHWRBEBY-CVEARBPZSA-N	1	1	351.491	2.422	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CC2CC(OCC)C2)CC1	ZINC000982173450	680272552	/nfs/dbraw/zinc/27/25/52/680272552.db2.gz	NBVGUWUKVCBMCC-BTRQGYIVSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CCOCC1	ZINC001024661483	680299043	/nfs/dbraw/zinc/29/90/43/680299043.db2.gz	GIKDMZNJJLIEIY-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
CC(C)[N@@H+]1CC(N=Nc2ncnc3c2c(Br)nn3C)[C@H](C)C1	ZINC000754256652	680345637	/nfs/dbraw/zinc/34/56/37/680345637.db2.gz	CVTZTEKVQXZUOA-SECBINFHSA-N	1	1	366.267	2.254	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1	ZINC001028703001	680381240	/nfs/dbraw/zinc/38/12/40/680381240.db2.gz	ZKSROCDUCTYRJB-CFVMTHIKSA-N	1	1	357.292	2.148	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1	ZINC001028703001	680381236	/nfs/dbraw/zinc/38/12/36/680381236.db2.gz	ZKSROCDUCTYRJB-CFVMTHIKSA-N	1	1	357.292	2.148	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1	ZINC001028808792	680383025	/nfs/dbraw/zinc/38/30/25/680383025.db2.gz	FJOWIFLAIFJGCP-XWIAVFTESA-N	1	1	350.409	2.494	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCOCC2)C1	ZINC001029865219	680394851	/nfs/dbraw/zinc/39/48/51/680394851.db2.gz	ZPQZPAZQSQQPPK-FHWLQOOXSA-N	1	1	350.503	2.175	20	30		FEEDMO
CN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1	ZINC001033094240	680417055	/nfs/dbraw/zinc/41/70/55/680417055.db2.gz	UUYNJYTUMYKCFX-HQRMLTQVSA-N	1	1	358.869	2.261	20	30		FEEDMO
CN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1	ZINC001033094240	680417056	/nfs/dbraw/zinc/41/70/56/680417056.db2.gz	UUYNJYTUMYKCFX-HQRMLTQVSA-N	1	1	358.869	2.261	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C(C)C)s2)C1	ZINC001000239431	680424193	/nfs/dbraw/zinc/42/41/93/680424193.db2.gz	BDGUYTNSHGKRKU-KFWWJZLASA-N	1	1	364.515	2.333	20	30		FEEDMO
CC(C)Cc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1	ZINC000755878972	680442382	/nfs/dbraw/zinc/44/23/82/680442382.db2.gz	CKYHSWPPLCDURA-UHFFFAOYSA-N	1	1	362.543	2.405	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](CCOC)C2)CC1	ZINC001035237086	680444717	/nfs/dbraw/zinc/44/47/17/680444717.db2.gz	PPANVEZUDZEKLX-ROUUACIJSA-N	1	1	350.503	2.319	20	30		FEEDMO
C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1	ZINC001035450268	680447072	/nfs/dbraw/zinc/44/70/72/680447072.db2.gz	OZBMTABSGZDUAV-BHYGNILZSA-N	1	1	350.409	2.461	20	30		FEEDMO
C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1	ZINC001035450268	680447073	/nfs/dbraw/zinc/44/70/73/680447073.db2.gz	OZBMTABSGZDUAV-BHYGNILZSA-N	1	1	350.409	2.461	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)C[C@@H]2CCCCO2)CC1	ZINC000985436189	680447648	/nfs/dbraw/zinc/44/76/48/680447648.db2.gz	XZXDYXPXFZKPJB-OTWHNJEPSA-N	1	1	350.503	2.460	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3OCC[C@H]3C)C2)C1	ZINC001041691209	680508284	/nfs/dbraw/zinc/50/82/84/680508284.db2.gz	XTTMPAVGUOBHHE-IVMMDQJWSA-N	1	1	357.292	2.244	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3OCC[C@H]3C)C2)C1	ZINC001041691209	680508287	/nfs/dbraw/zinc/50/82/87/680508287.db2.gz	XTTMPAVGUOBHHE-IVMMDQJWSA-N	1	1	357.292	2.244	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ncc(C)s3)C2)C1	ZINC001041696844	680508866	/nfs/dbraw/zinc/50/88/66/680508866.db2.gz	XFFYYKUYUKTGIN-GJYPPUQNSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3ncc(C)s3)C2)C1	ZINC001041696844	680508868	/nfs/dbraw/zinc/50/88/68/680508868.db2.gz	XFFYYKUYUKTGIN-GJYPPUQNSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)CC1	ZINC001003065282	680520147	/nfs/dbraw/zinc/52/01/47/680520147.db2.gz	TYNFTCMTPHGZOM-QZTJIDSGSA-N	1	1	364.873	2.476	20	30		FEEDMO
Cc1nsc(N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2C)c1C#N	ZINC001043465044	680583407	/nfs/dbraw/zinc/58/34/07/680583407.db2.gz	JPLVRSKUGKPVBE-TWJWRFFLSA-N	1	1	361.515	2.312	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C	ZINC000758485223	680585027	/nfs/dbraw/zinc/58/50/27/680585027.db2.gz	WSOGTQSYTMXZCE-HOTGVXAUSA-N	1	1	355.479	2.053	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C	ZINC000758485223	680585032	/nfs/dbraw/zinc/58/50/32/680585032.db2.gz	WSOGTQSYTMXZCE-HOTGVXAUSA-N	1	1	355.479	2.053	20	30		FEEDMO
C#Cc1ccc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cn1	ZINC000759365499	680644701	/nfs/dbraw/zinc/64/47/01/680644701.db2.gz	RNEDURLCVQYRPU-LJQANCHMSA-N	1	1	351.475	2.410	20	30		FEEDMO
C#Cc1ccc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cn1	ZINC000759365499	680644703	/nfs/dbraw/zinc/64/47/03/680644703.db2.gz	RNEDURLCVQYRPU-LJQANCHMSA-N	1	1	351.475	2.410	20	30		FEEDMO
C=C(Br)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC	ZINC000837913210	680659926	/nfs/dbraw/zinc/65/99/26/680659926.db2.gz	DKXFHMFKEYHFDB-PBWFPOADSA-N	1	1	360.296	2.178	20	30		FEEDMO
CC([NH2+]Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)=C1CC1(F)F	ZINC000841627200	680904086	/nfs/dbraw/zinc/90/40/86/680904086.db2.gz	NDIKGRJAAAFTOY-HNNXBMFYSA-N	1	1	372.441	2.066	20	30		FEEDMO
CC([NH2+]Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)=C1CC1(F)F	ZINC000841627204	680904103	/nfs/dbraw/zinc/90/41/03/680904103.db2.gz	NDIKGRJAAAFTOY-OAHLLOKOSA-N	1	1	372.441	2.066	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC1CCCCCC1	ZINC001051123922	681063157	/nfs/dbraw/zinc/06/31/57/681063157.db2.gz	IREFVFXDVWUZML-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CC1CCCCCC1	ZINC001051123922	681063160	/nfs/dbraw/zinc/06/31/60/681063160.db2.gz	IREFVFXDVWUZML-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001052731662	681084867	/nfs/dbraw/zinc/08/48/67/681084867.db2.gz	TXZDZQPQHBVJAX-TUVASFSCSA-N	1	1	357.292	2.433	20	30		FEEDMO
C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001052731662	681084870	/nfs/dbraw/zinc/08/48/70/681084870.db2.gz	TXZDZQPQHBVJAX-TUVASFSCSA-N	1	1	357.292	2.433	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2snnc2C)CC1	ZINC001052786312	681086523	/nfs/dbraw/zinc/08/65/23/681086523.db2.gz	UADLSYSIDZCTKS-VYDXJSESSA-N	1	1	364.515	2.298	20	30		FEEDMO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C3)c1C#N	ZINC001055198778	681126138	/nfs/dbraw/zinc/12/61/38/681126138.db2.gz	AIPAFZGFKJRPSI-YOENINGUSA-N	1	1	359.499	2.033	20	30		FEEDMO
CC[C@@H](CSC)[N@H+](C)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000773253594	681133170	/nfs/dbraw/zinc/13/31/70/681133170.db2.gz	CXKGOTMKPLGJNF-YJBOKZPZSA-N	1	1	360.483	2.356	20	30		FEEDMO
CC[C@@H](CSC)[N@@H+](C)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000773253594	681133172	/nfs/dbraw/zinc/13/31/72/681133172.db2.gz	CXKGOTMKPLGJNF-YJBOKZPZSA-N	1	1	360.483	2.356	20	30		FEEDMO
Cc1nc(N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C(F)(F)F)c(C)c(C)[nH+]1	ZINC001055606423	681144016	/nfs/dbraw/zinc/14/40/16/681144016.db2.gz	JHZWDVASLBFQGR-BZHVJNSISA-N	1	1	355.364	2.363	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Nc3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001056802808	681156777	/nfs/dbraw/zinc/15/67/77/681156777.db2.gz	DSMMWZHQXJXBNE-NTZNESFSSA-N	1	1	367.906	2.411	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](Nc3snc(C)c3C#N)C2)CC[N@H+]1C	ZINC001057770098	681164108	/nfs/dbraw/zinc/16/41/08/681164108.db2.gz	SRFBELKGJPWCFR-IJEWVQPXSA-N	1	1	361.515	2.456	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@H+]1C	ZINC001057770539	681164153	/nfs/dbraw/zinc/16/41/53/681164153.db2.gz	DIBLSJPWTANQSB-VHDGCEQUSA-N	1	1	361.877	2.350	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)COC)C[C@H]2CC1	ZINC000946818380	681261780	/nfs/dbraw/zinc/26/17/80/681261780.db2.gz	JCJLVPKYQYWBEG-OYSTVDSJSA-N	1	1	350.503	2.173	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ncc(C(=O)OC)s2)C1	ZINC000932663982	681280209	/nfs/dbraw/zinc/28/02/09/681280209.db2.gz	KOMODXJEKGSZHS-UONOGXRCSA-N	1	1	363.483	2.308	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2ncc(C(=O)OC)s2)C1	ZINC000932663982	681280211	/nfs/dbraw/zinc/28/02/11/681280211.db2.gz	KOMODXJEKGSZHS-UONOGXRCSA-N	1	1	363.483	2.308	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1	ZINC000776592195	681412649	/nfs/dbraw/zinc/41/26/49/681412649.db2.gz	BZJNCAJUYPJVJD-ZDUSSCGKSA-N	1	1	360.458	2.403	20	30		FEEDMO
C=CCCC[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1	ZINC000776833945	681439660	/nfs/dbraw/zinc/43/96/60/681439660.db2.gz	AGDSUTGDQZECMC-INIZCTEOSA-N	1	1	351.491	2.496	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C	ZINC000777309477	681480693	/nfs/dbraw/zinc/48/06/93/681480693.db2.gz	AHUSUBYMBFBYCA-OWCLPIDISA-N	1	1	350.459	2.321	20	30		FEEDMO
CO[C@@H]1CC[C@@H]1[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000934117185	681511147	/nfs/dbraw/zinc/51/11/47/681511147.db2.gz	JXKMVNNNGSCCDC-JKSUJKDBSA-N	1	1	354.372	2.282	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1	ZINC000948984563	681608622	/nfs/dbraw/zinc/60/86/22/681608622.db2.gz	HRTUCCFTEBEJHQ-CZUORRHYSA-N	1	1	369.937	2.460	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1	ZINC000779147873	681684735	/nfs/dbraw/zinc/68/47/35/681684735.db2.gz	DGIMNZOEYCVNHW-CQSZACIVSA-N	1	1	370.902	2.113	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1	ZINC000779147873	681684742	/nfs/dbraw/zinc/68/47/42/681684742.db2.gz	DGIMNZOEYCVNHW-CQSZACIVSA-N	1	1	370.902	2.113	20	30		FEEDMO
C#CC[NH+]1CCN(Cn2c(=S)n(-c3ccccc3)nc2C2CC2)CC1	ZINC000913057958	685470347	/nfs/dbraw/zinc/47/03/47/685470347.db2.gz	HJGSUTAYNUWHSR-UHFFFAOYSA-N	1	1	353.495	2.489	20	30		FEEDMO
C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000780865733	681879515	/nfs/dbraw/zinc/87/95/15/681879515.db2.gz	CDSHEWFMIZITRF-NSHDSACASA-N	1	1	361.389	2.340	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)Cc2csc(C#N)c2)C1	ZINC000914272402	685501905	/nfs/dbraw/zinc/50/19/05/685501905.db2.gz	AUJIVWUTXKPVOB-CQSZACIVSA-N	1	1	355.529	2.407	20	30		FEEDMO
COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1	ZINC000852339048	682263440	/nfs/dbraw/zinc/26/34/40/682263440.db2.gz	DKEASFBHBUJBDG-ILXRZTDVSA-N	1	1	356.344	2.265	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(CCC)s2)C1	ZINC000970242152	682290862	/nfs/dbraw/zinc/29/08/62/682290862.db2.gz	ULJOHBLUZDKGJB-KEYYUXOJSA-N	1	1	364.515	2.162	20	30		FEEDMO
C#CCNC(=O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1	ZINC000786440722	682374676	/nfs/dbraw/zinc/37/46/76/682374676.db2.gz	GRPPHGVPWFNIAN-UHFFFAOYSA-N	1	1	365.271	2.180	20	30		FEEDMO
N#Cc1ncc(Br)cc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000853089746	682375170	/nfs/dbraw/zinc/37/51/70/682375170.db2.gz	XEULFXLHSHQNJL-CYBMUJFWSA-N	1	1	351.248	2.017	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC2)c1C#N	ZINC000788275490	682516323	/nfs/dbraw/zinc/51/63/23/682516323.db2.gz	NHKACPVZMUELNY-QGZVFWFLSA-N	1	1	359.861	2.109	20	30		FEEDMO
CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1cc(C#N)ccc1Cl)C2	ZINC000926150077	683082979	/nfs/dbraw/zinc/08/29/79/683082979.db2.gz	FMTJDLULNQDWSZ-VXNCWWDNSA-N	1	1	361.873	2.421	20	30		FEEDMO
CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C2	ZINC000926159103	683085042	/nfs/dbraw/zinc/08/50/42/683085042.db2.gz	HURNQFMGODJKAJ-MTNOOBJLSA-N	1	1	361.873	2.421	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1)[C@@H]1CCCO1	ZINC000795815837	683095148	/nfs/dbraw/zinc/09/51/48/683095148.db2.gz	BGQQWWVTJRTICV-JYJNAYRXSA-N	1	1	370.902	2.470	20	30		FEEDMO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000928125364	683399929	/nfs/dbraw/zinc/39/99/29/683399929.db2.gz	QMMNAVAXXFZFQS-NUEKZKHPSA-N	1	1	354.372	2.204	20	30		FEEDMO
C#CCO[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000928125364	683399934	/nfs/dbraw/zinc/39/99/34/683399934.db2.gz	QMMNAVAXXFZFQS-NUEKZKHPSA-N	1	1	354.372	2.204	20	30		FEEDMO
COc1ccc(C=NNCCC[NH+]2CCOCC2)cc1Br	ZINC000799489838	683460234	/nfs/dbraw/zinc/46/02/34/683460234.db2.gz	FIBWCPWVWCPXAS-UHFFFAOYSA-N	1	1	356.264	2.104	20	30		FEEDMO
C[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000929629827	683620578	/nfs/dbraw/zinc/62/05/78/683620578.db2.gz	ULKBVXHQWFUXLX-IONNQARKSA-N	1	1	372.256	2.030	20	30		FEEDMO
C[N@@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000929629827	683620583	/nfs/dbraw/zinc/62/05/83/683620583.db2.gz	ULKBVXHQWFUXLX-IONNQARKSA-N	1	1	372.256	2.030	20	30		FEEDMO
N#Cc1ccc(Br)c(CN[C@H]2CCC[N@@H+](CCCO)C2)c1	ZINC000922153966	683671036	/nfs/dbraw/zinc/67/10/36/683671036.db2.gz	GPEDERDHGQHYLB-HNNXBMFYSA-N	1	1	352.276	2.257	20	30		FEEDMO
N#Cc1ccc(Br)c(CN[C@H]2CCC[N@H+](CCCO)C2)c1	ZINC000922153966	683671039	/nfs/dbraw/zinc/67/10/39/683671039.db2.gz	GPEDERDHGQHYLB-HNNXBMFYSA-N	1	1	352.276	2.257	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)CC(C)(C)C=NN[C@H]1CCCS(=O)(=O)C1	ZINC000863130630	683679277	/nfs/dbraw/zinc/67/92/77/683679277.db2.gz	QHRBMYDXRBQEGF-KRWDZBQOSA-N	1	1	351.516	2.297	20	30		FEEDMO
C#CC1(O)CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1	ZINC000931141530	683840577	/nfs/dbraw/zinc/84/05/77/683840577.db2.gz	AEUKFVUZGZGZEG-CYBMUJFWSA-N	1	1	365.271	2.086	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CSc3nccn3C)o2)C1	ZINC000923581586	684308346	/nfs/dbraw/zinc/30/83/46/684308346.db2.gz	INBJEBJGPPVXGU-CQSZACIVSA-N	1	1	358.467	2.133	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CSc3nccn3C)o2)C1	ZINC000923581586	684308350	/nfs/dbraw/zinc/30/83/50/684308350.db2.gz	INBJEBJGPPVXGU-CQSZACIVSA-N	1	1	358.467	2.133	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)C1	ZINC000923585106	684308853	/nfs/dbraw/zinc/30/88/53/684308853.db2.gz	KCCDNEMOXDYIRW-YOEHRIQHSA-N	1	1	359.495	2.339	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)C1	ZINC000923585106	684308860	/nfs/dbraw/zinc/30/88/60/684308860.db2.gz	KCCDNEMOXDYIRW-YOEHRIQHSA-N	1	1	359.495	2.339	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)C2CC[NH+](CC)CC2)c1	ZINC000931637145	684316738	/nfs/dbraw/zinc/31/67/38/684316738.db2.gz	SSRUEAKQANGCFN-UHFFFAOYSA-N	1	1	362.495	2.040	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cc3sc(=O)n(C)c3cc2C)C1	ZINC000931906632	684367892	/nfs/dbraw/zinc/36/78/92/684367892.db2.gz	XCABSUXRQZVZMR-ZDUSSCGKSA-N	1	1	358.467	2.128	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc3sc(=O)n(C)c3cc2C)C1	ZINC000931906632	684367896	/nfs/dbraw/zinc/36/78/96/684367896.db2.gz	XCABSUXRQZVZMR-ZDUSSCGKSA-N	1	1	358.467	2.128	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ncc(Br)c(OC)n2)no1	ZINC000872179868	684925429	/nfs/dbraw/zinc/92/54/29/684925429.db2.gz	KMSJQWJGBRLNKC-SSDOTTSWSA-N	1	1	360.599	2.440	20	30		FEEDMO
C=C(C)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1	ZINC000872299703	684935716	/nfs/dbraw/zinc/93/57/16/684935716.db2.gz	PVTIRGMEAWBPNH-ZNMIVQPWSA-N	1	1	351.447	2.077	20	30		FEEDMO
C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000872661964	684999647	/nfs/dbraw/zinc/99/96/47/684999647.db2.gz	BAKAUZLFEMLOQH-KGLIPLIRSA-N	1	1	373.400	2.434	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1F	ZINC000873895992	685241678	/nfs/dbraw/zinc/24/16/78/685241678.db2.gz	KHYLZLKENQURSX-UHFFFAOYSA-N	1	1	360.216	2.142	20	30		FEEDMO
CN(C)c1ccc(C#N)cc1C[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000876734714	686256727	/nfs/dbraw/zinc/25/67/27/686256727.db2.gz	JECLNOAXLZHSGN-HNNXBMFYSA-N	1	1	354.376	2.219	20	30		FEEDMO
CN(C)c1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000876734714	686256732	/nfs/dbraw/zinc/25/67/32/686256732.db2.gz	JECLNOAXLZHSGN-HNNXBMFYSA-N	1	1	354.376	2.219	20	30		FEEDMO
CN(C)C(=O)COc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1	ZINC000876942836	686298494	/nfs/dbraw/zinc/29/84/94/686298494.db2.gz	GOFXMNRGLRLMKS-UHFFFAOYSA-N	1	1	358.829	2.363	20	30		FEEDMO
N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1	ZINC000877565958	686410347	/nfs/dbraw/zinc/41/03/47/686410347.db2.gz	CEUJDKVUYDMCHQ-WCQYABFASA-N	1	1	372.778	2.449	20	30		FEEDMO
N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1	ZINC000877565958	686410350	/nfs/dbraw/zinc/41/03/50/686410350.db2.gz	CEUJDKVUYDMCHQ-WCQYABFASA-N	1	1	372.778	2.449	20	30		FEEDMO
Cc1nsc(N2CC[NH+](C[C@H]3CCC4(CCOCC4)O3)CC2)c1C#N	ZINC000878630336	686624349	/nfs/dbraw/zinc/62/43/49/686624349.db2.gz	XSNQKVUJYQRQQX-OAHLLOKOSA-N	1	1	362.499	2.173	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC([C@H](F)C(N)=O)CC1	ZINC000879043543	686723032	/nfs/dbraw/zinc/72/30/32/686723032.db2.gz	DWUZSMWSCKXKRH-BBRMVZONSA-N	1	1	367.490	2.187	20	30		FEEDMO
CN(C)CC[NH+]1CCC(Nc2ncc(C#N)cc2Br)CC1	ZINC000881801869	687220267	/nfs/dbraw/zinc/22/02/67/687220267.db2.gz	DVAOMCCCNOYYMV-UHFFFAOYSA-N	1	1	352.280	2.154	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(Br)c(C#N)n3)C2)C1	ZINC000883111317	687567694	/nfs/dbraw/zinc/56/76/94/687567694.db2.gz	ZPBXTLIATWQJSS-OAHLLOKOSA-N	1	1	364.247	2.275	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000884951995	687972804	/nfs/dbraw/zinc/97/28/04/687972804.db2.gz	KFDIFKUZMBDWAH-KGLIPLIRSA-N	1	1	373.400	2.482	20	30		FEEDMO
C#CC[N@H+](C[C@@H](O)COC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426230	688253483	/nfs/dbraw/zinc/25/34/83/688253483.db2.gz	OAJLUNVKTXTPGI-QGZVFWFLSA-N	1	1	354.491	2.107	20	30		FEEDMO
C#CC[N@@H+](CC(=O)N[C@H](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427283	688254020	/nfs/dbraw/zinc/25/40/20/688254020.db2.gz	FWNHHZCNZMVCPS-OAHLLOKOSA-N	1	1	351.491	2.236	20	30		FEEDMO
C#CC[N@H+](CC(=O)N[C@H](C)CC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427283	688254025	/nfs/dbraw/zinc/25/40/25/688254025.db2.gz	FWNHHZCNZMVCPS-OAHLLOKOSA-N	1	1	351.491	2.236	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCNC(=O)Nc2nc(Cl)c(C#N)s2)C[C@H](C)O1	ZINC000888406765	688605708	/nfs/dbraw/zinc/60/57/08/688605708.db2.gz	HYXPCZKKEVCIOU-AOOOYVTPSA-N	1	1	357.867	2.289	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2nnc(-c3ccccc3)s2)C1	ZINC000888568516	688640289	/nfs/dbraw/zinc/64/02/89/688640289.db2.gz	JORSLMBRFNMFAT-OAHLLOKOSA-N	1	1	355.467	2.102	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nnc(-c3ccccc3)s2)C1	ZINC000888568516	688640293	/nfs/dbraw/zinc/64/02/93/688640293.db2.gz	JORSLMBRFNMFAT-OAHLLOKOSA-N	1	1	355.467	2.102	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(C(=O)NCC#C[C@H]3CCCCO3)CC2)cs1	ZINC000891126923	689017329	/nfs/dbraw/zinc/01/73/29/689017329.db2.gz	OJMMJXKJZJEULO-GOSISDBHSA-N	1	1	361.511	2.352	20	30		FEEDMO
C[N@H+]1C[C@H]2CCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)[C@@H]2C1	ZINC000891717297	689096541	/nfs/dbraw/zinc/09/65/41/689096541.db2.gz	COQKUZDAVJSKTF-GDBMZVCRSA-N	1	1	351.372	2.402	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+]Cc1c2cc(C)ccc2[nH]c1C(=O)OCC	ZINC000894437060	689532144	/nfs/dbraw/zinc/53/21/44/689532144.db2.gz	LRPYGCRIEZKGOV-UHFFFAOYSA-N	1	1	364.467	2.343	20	30		FEEDMO
C[N@H+](CC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCSC1	ZINC000512118223	689587112	/nfs/dbraw/zinc/58/71/12/689587112.db2.gz	HULZUHARDRVTLE-LBPRGKRZSA-N	1	1	359.430	2.259	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCSC1	ZINC000512118223	689587116	/nfs/dbraw/zinc/58/71/16/689587116.db2.gz	HULZUHARDRVTLE-LBPRGKRZSA-N	1	1	359.430	2.259	20	30		FEEDMO
Cn1ncc(I)c1C[NH2+]Cc1ccc(CC#N)cc1	ZINC000895076992	689655260	/nfs/dbraw/zinc/65/52/60/689655260.db2.gz	YZTPEYFDESAVQS-UHFFFAOYSA-N	1	1	366.206	2.381	20	30		FEEDMO
N#Cc1ncc(Br)cc1NC[C@H]1CC[N@H+]1C1CCOCC1	ZINC000896524401	689885230	/nfs/dbraw/zinc/88/52/30/689885230.db2.gz	USRLPRWCBGJAOD-CYBMUJFWSA-N	1	1	351.248	2.381	20	30		FEEDMO
CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1	ZINC000900609129	690538395	/nfs/dbraw/zinc/53/83/95/690538395.db2.gz	VPFCRSHGDDLOBZ-HOCLYGCPSA-N	1	1	363.845	2.296	20	30		FEEDMO
CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1	ZINC000900609129	690538398	/nfs/dbraw/zinc/53/83/98/690538398.db2.gz	VPFCRSHGDDLOBZ-HOCLYGCPSA-N	1	1	363.845	2.296	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CC[C@@H](CCNC(=O)OC(C)(C)C)C2)C1=O	ZINC000902457507	690767746	/nfs/dbraw/zinc/76/77/46/690767746.db2.gz	UAWSWVLCJNXASM-OAHLLOKOSA-N	1	1	352.479	2.104	20	30		FEEDMO
N#Cc1sccc1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000906376971	691260397	/nfs/dbraw/zinc/26/03/97/691260397.db2.gz	UCHYNIQKHDQHLM-HNNXBMFYSA-N	1	1	354.435	2.322	20	30		FEEDMO
N#Cc1sccc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000906376971	691260402	/nfs/dbraw/zinc/26/04/02/691260402.db2.gz	UCHYNIQKHDQHLM-HNNXBMFYSA-N	1	1	354.435	2.322	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC[N@H+]1C	ZINC000906988064	691362241	/nfs/dbraw/zinc/36/22/41/691362241.db2.gz	OUOPSLGJEVVOHX-PWSUYJOCSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3C#N)C[C@@H]21	ZINC001164667751	719481251	/nfs/dbraw/zinc/48/12/51/719481251.db2.gz	MPYMHGMVZPTJHE-GOEBONIOSA-N	1	1	371.828	2.313	20	30		FEEDMO
N#Cc1c[nH]c2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)ccc12	ZINC001164866367	721098501	/nfs/dbraw/zinc/09/85/01/721098501.db2.gz	STAWTYBLMWUONA-QZTJIDSGSA-N	1	1	374.448	2.309	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5c(C#N)c[nH]c5n4)C[C@@H]3C2)cn1	ZINC001164773300	721148099	/nfs/dbraw/zinc/14/80/99/721148099.db2.gz	YBPNVZWBYRZPEN-RDJZCZTQSA-N	1	1	361.453	2.126	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(Cl)cc4C#N)C[C@@H]3C2)cn1	ZINC001164766852	721175034	/nfs/dbraw/zinc/17/50/34/721175034.db2.gz	JHOUGPAKOSHTJO-HOCLYGCPSA-N	1	1	356.861	2.298	20	30		FEEDMO
C=CCOc1cc(C)nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1	ZINC001164781175	721411394	/nfs/dbraw/zinc/41/13/94/721411394.db2.gz	CKLGVJHBUYOYGT-GJZGRUSLSA-N	1	1	357.483	2.375	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(CC#N)ccn2)[C@@H]2CCCO[C@H]12	ZINC001164805730	721568279	/nfs/dbraw/zinc/56/82/79/721568279.db2.gz	OPKPBGJNHKHWAD-SBHAEUEKSA-N	1	1	363.465	2.411	20	30		FEEDMO
C=CC[NH+]1CCN(c2cc(N3CCN(c4ccccc4)CC3)ncn2)CC1	ZINC001165034723	721872140	/nfs/dbraw/zinc/87/21/40/721872140.db2.gz	OAKWVSFKBPEJFV-UHFFFAOYSA-N	1	1	364.497	2.111	20	30		FEEDMO
Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1C#N	ZINC001164981564	722111241	/nfs/dbraw/zinc/11/12/41/722111241.db2.gz	UNSHLMWLUDIQAT-ICSRJNTNSA-N	1	1	363.465	2.384	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000513089767	810728962	/nfs/dbraw/zinc/72/89/62/810728962.db2.gz	QOVAGPCLJCPUNE-UHFFFAOYSA-N	1	1	353.361	2.210	20	30		FEEDMO
C=CCNC(=O)c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)nc1	ZINC000492877689	870493264	/nfs/dbraw/zinc/49/32/64/870493264.db2.gz	KQQCSYYDZVNRHP-UHFFFAOYSA-N	1	1	366.465	2.442	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(C#N)cn2)[C@@H]1c1cnn(C)c1	ZINC000328627755	210116615	/nfs/dbraw/zinc/11/66/15/210116615.db2.gz	NBAAIPIMGHBQDK-QFBILLFUSA-N	1	1	366.469	2.232	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)cc1	ZINC000022865368	539701694	/nfs/dbraw/zinc/70/16/94/539701694.db2.gz	SRGCIWCYVUWOQC-FQEVSTJZSA-N	1	1	351.450	2.116	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1	ZINC000025698670	539766571	/nfs/dbraw/zinc/76/65/71/539766571.db2.gz	LMXJNDXYRGGFBG-PZJWPPBQSA-N	1	1	369.440	2.448	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)C1CC1	ZINC000027571441	539810614	/nfs/dbraw/zinc/81/06/14/539810614.db2.gz	JYNREGTWCSNMCG-QRWLVFNGSA-N	1	1	354.454	2.146	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)C1CC1	ZINC000027571441	539810620	/nfs/dbraw/zinc/81/06/20/539810620.db2.gz	JYNREGTWCSNMCG-QRWLVFNGSA-N	1	1	354.454	2.146	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)[NH+]1CCOCC1	ZINC000029783441	539864829	/nfs/dbraw/zinc/86/48/29/539864829.db2.gz	XEIHSADVPYOHRJ-WMZOPIPTSA-N	1	1	359.470	2.189	20	30		FEEDMO
C=C(C)C[N@H+](CC)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000032758576	539951133	/nfs/dbraw/zinc/95/11/33/539951133.db2.gz	BWKAGMPMRMLICM-SFHVURJKSA-N	1	1	357.454	2.266	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C	ZINC000043085085	540087820	/nfs/dbraw/zinc/08/78/20/540087820.db2.gz	XFSYSHBQJRWZHY-KBPBESRZSA-N	1	1	358.486	2.175	20	30		FEEDMO
C[C@@H]1CCCN(C(=O)C2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)C1	ZINC000045804255	540229477	/nfs/dbraw/zinc/22/94/77/540229477.db2.gz	OXKWBGUOHQOPAY-QGZVFWFLSA-N	1	1	374.529	2.300	20	30		FEEDMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000046048523	540239356	/nfs/dbraw/zinc/23/93/56/540239356.db2.gz	XKRJIGMSHUUJJE-APWZRJJASA-N	1	1	357.454	2.039	20	30		FEEDMO
C[C@@H](Cn1ccnc1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000047028742	540285588	/nfs/dbraw/zinc/28/55/88/540285588.db2.gz	KHXMSDZUKSCAEJ-KRWDZBQOSA-N	1	1	366.469	2.061	20	30		FEEDMO
Cc1cccnc1NC(=O)C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000047261398	540299873	/nfs/dbraw/zinc/29/98/73/540299873.db2.gz	NYIOBHZESGUSMO-HXUWFJFHSA-N	1	1	371.485	2.095	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)Nc2cc(C#N)ccc2OC)CC1	ZINC000050108147	540399654	/nfs/dbraw/zinc/39/96/54/540399654.db2.gz	QLIQISKBILPYNC-UHFFFAOYSA-N	1	1	359.474	2.106	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000051056934	540421128	/nfs/dbraw/zinc/42/11/28/540421128.db2.gz	FPTIRHRLPYRLOH-FCEWJHQRSA-N	1	1	350.507	2.058	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000051056934	540421130	/nfs/dbraw/zinc/42/11/30/540421130.db2.gz	FPTIRHRLPYRLOH-FCEWJHQRSA-N	1	1	350.507	2.058	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000051053221	540420270	/nfs/dbraw/zinc/42/02/70/540420270.db2.gz	KVOUWBUQTCPQMC-WDSOQIARSA-N	1	1	373.497	2.315	20	30		FEEDMO
CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1COc2ccccc2O1	ZINC000052920337	540499548	/nfs/dbraw/zinc/49/95/48/540499548.db2.gz	ULJLIAXUBTZZCO-KRWDZBQOSA-N	1	1	370.453	2.194	20	30		FEEDMO
CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1COc2ccccc2O1	ZINC000052920337	540499551	/nfs/dbraw/zinc/49/95/51/540499551.db2.gz	ULJLIAXUBTZZCO-KRWDZBQOSA-N	1	1	370.453	2.194	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000053286886	540523798	/nfs/dbraw/zinc/52/37/98/540523798.db2.gz	FCIAISQLJXSKKF-GOSISDBHSA-N	1	1	365.433	2.461	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000053286886	540523802	/nfs/dbraw/zinc/52/38/02/540523802.db2.gz	FCIAISQLJXSKKF-GOSISDBHSA-N	1	1	365.433	2.461	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)NCC[N@@H+](C)Cc1ccccc1	ZINC000054265833	540579276	/nfs/dbraw/zinc/57/92/76/540579276.db2.gz	HVUCVWZBLMOXDJ-UHFFFAOYSA-N	1	1	353.422	2.194	20	30		FEEDMO
COc1ccc(C2=CC[N@H+](CC(=O)N(CCC#N)CCC#N)CC2)cc1	ZINC000054989929	540620835	/nfs/dbraw/zinc/62/08/35/540620835.db2.gz	SATUSIDCISZLDH-UHFFFAOYSA-N	1	1	352.438	2.440	20	30		FEEDMO
COc1ccc(C2=CC[N@@H+](CC(=O)N(CCC#N)CCC#N)CC2)cc1	ZINC000054989929	540620837	/nfs/dbraw/zinc/62/08/37/540620837.db2.gz	SATUSIDCISZLDH-UHFFFAOYSA-N	1	1	352.438	2.440	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1	ZINC000057666550	540806725	/nfs/dbraw/zinc/80/67/25/540806725.db2.gz	VTACDIBHHQEXGA-OAHLLOKOSA-N	1	1	356.470	2.434	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCCN1CC[NH+](C)CC1	ZINC000058860001	540857989	/nfs/dbraw/zinc/85/79/89/540857989.db2.gz	YJLAREDJJMSBSD-HXUWFJFHSA-N	1	1	372.513	2.105	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCN(c3nccs3)CC2)cc1	ZINC000064518800	541209719	/nfs/dbraw/zinc/20/97/19/541209719.db2.gz	CDDYARPSYPGYDW-QGZVFWFLSA-N	1	1	372.494	2.161	20	30		FEEDMO
CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cccc(C#N)c1	ZINC000064382208	541204005	/nfs/dbraw/zinc/20/40/05/541204005.db2.gz	MEXDVDDAWUNYNY-GOSISDBHSA-N	1	1	357.454	2.438	20	30		FEEDMO
C=CCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1CCS(=O)(=O)C1	ZINC000066410595	541314748	/nfs/dbraw/zinc/31/47/48/541314748.db2.gz	UUZABJWNQIHUBU-SFHVURJKSA-N	1	1	362.495	2.098	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1	ZINC000066875182	541385055	/nfs/dbraw/zinc/38/50/55/541385055.db2.gz	JBYHHRJESZLTOD-FQEVSTJZSA-N	1	1	362.518	2.202	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000067416101	541460794	/nfs/dbraw/zinc/46/07/94/541460794.db2.gz	XVFIQNWYQXGEKX-GXTWGEPZSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000067416101	541460797	/nfs/dbraw/zinc/46/07/97/541460797.db2.gz	XVFIQNWYQXGEKX-GXTWGEPZSA-N	1	1	362.861	2.387	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1	ZINC000067558419	541479871	/nfs/dbraw/zinc/47/98/71/541479871.db2.gz	FAZLSMZTEDYNQK-MRXNPFEDSA-N	1	1	359.470	2.427	20	30		FEEDMO
CC[N@H+]1CC[C@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000542960840	541509661	/nfs/dbraw/zinc/50/96/61/541509661.db2.gz	FEQVSAUMBYVOON-CQSZACIVSA-N	1	1	356.405	2.346	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000068444412	541593660	/nfs/dbraw/zinc/59/36/60/541593660.db2.gz	WXGGJOQZFCAUNP-UHFFFAOYSA-N	1	1	363.502	2.191	20	30		FEEDMO
N#CCSCCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2)C1	ZINC000072517789	541824990	/nfs/dbraw/zinc/82/49/90/541824990.db2.gz	SLVOOJGCPSBCTJ-HNNXBMFYSA-N	1	1	353.513	2.076	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(Cc2cn3ccccc3c2C#N)CC1	ZINC000073616081	541973694	/nfs/dbraw/zinc/97/36/94/541973694.db2.gz	TXFNAZUPAFWGHK-UHFFFAOYSA-N	1	1	367.497	2.187	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)o2)cc1	ZINC000075739170	542201673	/nfs/dbraw/zinc/20/16/73/542201673.db2.gz	AWWPDQFJXDYNTG-KRWDZBQOSA-N	1	1	367.453	2.152	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)o2)cc1	ZINC000075739170	542201675	/nfs/dbraw/zinc/20/16/75/542201675.db2.gz	AWWPDQFJXDYNTG-KRWDZBQOSA-N	1	1	367.453	2.152	20	30		FEEDMO
CO[C@@H](C)c1nc(CN2CCC[N@@H+](CCO[C@H](C)C#N)CC2)cs1	ZINC000801926682	674155417	/nfs/dbraw/zinc/15/54/17/674155417.db2.gz	UYRJSOWSEOWBEX-CABCVRRESA-N	1	1	352.504	2.287	20	30		FEEDMO
CCN(C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1)CC(F)(F)F	ZINC000081558829	542665382	/nfs/dbraw/zinc/66/53/82/542665382.db2.gz	LEJYGBPWUMHKET-HOCLYGCPSA-N	1	1	368.403	2.291	20	30		FEEDMO
CCN(C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1)CC(F)(F)F	ZINC000081558829	542665385	/nfs/dbraw/zinc/66/53/85/542665385.db2.gz	LEJYGBPWUMHKET-HOCLYGCPSA-N	1	1	368.403	2.291	20	30		FEEDMO
N#CCOc1cccc(CC(=O)NCC[N@@H+]2CCc3sccc3C2)c1	ZINC000089758930	542769881	/nfs/dbraw/zinc/76/98/81/542769881.db2.gz	HJXHITQIVGZNHH-UHFFFAOYSA-N	1	1	355.463	2.367	20	30		FEEDMO
N#CCOc1cccc(CC(=O)NCC[N@H+]2CCc3sccc3C2)c1	ZINC000089758930	542769885	/nfs/dbraw/zinc/76/98/85/542769885.db2.gz	HJXHITQIVGZNHH-UHFFFAOYSA-N	1	1	355.463	2.367	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1OC	ZINC000091897871	542831058	/nfs/dbraw/zinc/83/10/58/542831058.db2.gz	NMJSZPXPHHJFET-MRXNPFEDSA-N	1	1	368.499	2.162	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)NC(C)C)C2)cc1OC	ZINC000091897871	542831063	/nfs/dbraw/zinc/83/10/63/542831063.db2.gz	NMJSZPXPHHJFET-MRXNPFEDSA-N	1	1	368.499	2.162	20	30		FEEDMO
CN(CCC#N)C(=O)CC[NH+]1CCN(Cc2nc3ccccc3s2)CC1	ZINC000092802433	542888415	/nfs/dbraw/zinc/88/84/15/542888415.db2.gz	JQKCTPMIGQCZKX-UHFFFAOYSA-N	1	1	371.510	2.176	20	30		FEEDMO
C[C@@H](C(=O)N1CCCN(c2ncccc2C#N)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000101655181	543040068	/nfs/dbraw/zinc/04/00/68/543040068.db2.gz	PYCCJDFMSPOCGW-BBWFWOEESA-N	1	1	355.486	2.253	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000102803135	543081122	/nfs/dbraw/zinc/08/11/22/543081122.db2.gz	PIHVLDACYWKILB-UHFFFAOYSA-N	1	1	356.373	2.249	20	30		FEEDMO
C[N@@H+]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2ccccc2C1	ZINC000103446892	543107567	/nfs/dbraw/zinc/10/75/67/543107567.db2.gz	MKNJTDPOIBUWDB-UHFFFAOYSA-N	1	1	372.432	2.418	20	30		FEEDMO
C[N@H+]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c2ccccc2C1	ZINC000103446892	543107571	/nfs/dbraw/zinc/10/75/71/543107571.db2.gz	MKNJTDPOIBUWDB-UHFFFAOYSA-N	1	1	372.432	2.418	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000104686149	543137575	/nfs/dbraw/zinc/13/75/75/543137575.db2.gz	MOWIRVAANNXMEK-AWEZNQCLSA-N	1	1	371.441	2.185	20	30		FEEDMO
CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104713399	543138489	/nfs/dbraw/zinc/13/84/89/543138489.db2.gz	GXFCTQICBHKWBN-HNNXBMFYSA-N	1	1	372.469	2.272	20	30		FEEDMO
CCOCCN1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000106105804	543198440	/nfs/dbraw/zinc/19/84/40/543198440.db2.gz	IJMWMXKGDRCJIM-UHFFFAOYSA-N	1	1	364.877	2.194	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@H]1CCCN1c1cccnn1	ZINC000106089018	543193898	/nfs/dbraw/zinc/19/38/98/543193898.db2.gz	JBEACQBJLCECQM-OAHLLOKOSA-N	1	1	370.482	2.339	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@H+]1C[C@H](C)O	ZINC000247452106	549335011	/nfs/dbraw/zinc/33/50/11/549335011.db2.gz	HNVKJQFKJLXBJP-GOEBONIOSA-N	1	1	361.490	2.424	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCn4cnnc4C3)sc2C1	ZINC000106167840	543211407	/nfs/dbraw/zinc/21/14/07/543211407.db2.gz	IPXJLVLOZBWSCW-GFCCVEGCSA-N	1	1	370.482	2.180	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCn4cnnc4C3)sc2C1	ZINC000106167840	543211410	/nfs/dbraw/zinc/21/14/10/543211410.db2.gz	IPXJLVLOZBWSCW-GFCCVEGCSA-N	1	1	370.482	2.180	20	30		FEEDMO
N#CC1(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCOCC1	ZINC000109140817	543315871	/nfs/dbraw/zinc/31/58/71/543315871.db2.gz	IAKDGYDXRFUZRD-UHFFFAOYSA-N	1	1	363.408	2.366	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)O[C@@H]1CC[N@@H+](CCF)C1	ZINC000802241210	674172935	/nfs/dbraw/zinc/17/29/35/674172935.db2.gz	YRMAQRBCQJBHPB-OAHLLOKOSA-N	1	1	350.390	2.313	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)O[C@@H]1CC[N@H+](CCF)C1	ZINC000802241210	674172931	/nfs/dbraw/zinc/17/29/31/674172931.db2.gz	YRMAQRBCQJBHPB-OAHLLOKOSA-N	1	1	350.390	2.313	20	30		FEEDMO
COc1ccc(C[N@@H+](CCO)CCOc2cccc(C#N)c2)c(OC)c1	ZINC000111322412	543396743	/nfs/dbraw/zinc/39/67/43/543396743.db2.gz	UNUIWRNNWSTRCA-UHFFFAOYSA-N	1	1	356.422	2.449	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1	ZINC000111910932	543424625	/nfs/dbraw/zinc/42/46/25/543424625.db2.gz	ZRHHSVVKQXQPBH-HNNXBMFYSA-N	1	1	350.422	2.133	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)ccc1OCC#N	ZINC000113226728	543477774	/nfs/dbraw/zinc/47/77/74/543477774.db2.gz	RCMMYBSEVCJSMJ-FJVHFBRSSA-N	1	1	355.438	2.306	20	30		FEEDMO
CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000114187347	543506765	/nfs/dbraw/zinc/50/67/65/543506765.db2.gz	HFWMOGDSEMIHDR-ROUUACIJSA-N	1	1	367.453	2.308	20	30		FEEDMO
CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000114187347	543506767	/nfs/dbraw/zinc/50/67/67/543506767.db2.gz	HFWMOGDSEMIHDR-ROUUACIJSA-N	1	1	367.453	2.308	20	30		FEEDMO
COc1ccc([C@H]2[C@H](CNS(=O)(=O)CCCC#N)CCC[N@H+]2C)cc1	ZINC000115587873	543576080	/nfs/dbraw/zinc/57/60/80/543576080.db2.gz	GBUUUQUHTLICRB-WMZOPIPTSA-N	1	1	365.499	2.301	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000118122375	543646841	/nfs/dbraw/zinc/64/68/41/543646841.db2.gz	WDYAURZKNFZXCO-UHFFFAOYSA-N	1	1	363.461	2.481	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1	ZINC000120712684	543683881	/nfs/dbraw/zinc/68/38/81/543683881.db2.gz	SVIAKFPGJJYAIE-INIZCTEOSA-N	1	1	357.454	2.219	20	30		FEEDMO
C=CCCS(=O)(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000119605115	543670117	/nfs/dbraw/zinc/67/01/17/543670117.db2.gz	LOQQVSRPSAOXCJ-UHFFFAOYSA-N	1	1	351.516	2.003	20	30		FEEDMO
C=CCCOCCNC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000122143994	543703904	/nfs/dbraw/zinc/70/39/04/543703904.db2.gz	IDZTXZHOFOFLHW-GOSISDBHSA-N	1	1	360.502	2.089	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000125853228	543905808	/nfs/dbraw/zinc/90/58/08/543905808.db2.gz	HEXJCYNZKANGHR-MJGOQNOKSA-N	1	1	352.438	2.296	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000125853228	543905809	/nfs/dbraw/zinc/90/58/09/543905809.db2.gz	HEXJCYNZKANGHR-MJGOQNOKSA-N	1	1	352.438	2.296	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2C#N)C[N@H+]1Cc1ccccc1	ZINC000126358749	543931680	/nfs/dbraw/zinc/93/16/80/543931680.db2.gz	IFBQSXGNZZIPQH-QAPCUYQASA-N	1	1	355.463	2.500	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000125768975	543900602	/nfs/dbraw/zinc/90/06/02/543900602.db2.gz	LNTJUKBRRVGZKR-LBPRGKRZSA-N	1	1	357.426	2.189	20	30		FEEDMO
CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000127264159	543981735	/nfs/dbraw/zinc/98/17/35/543981735.db2.gz	DJDSHBDCWJBYRZ-CQSZACIVSA-N	1	1	370.375	2.497	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N(C)Cc2c(F)cccc2Cl)CC1	ZINC000127378312	543988855	/nfs/dbraw/zinc/98/88/55/543988855.db2.gz	MMKOQODIZOMINP-UHFFFAOYSA-N	1	1	351.853	2.078	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[N@H+]1C1CC1	ZINC000127555474	544000312	/nfs/dbraw/zinc/00/03/12/544000312.db2.gz	RYAOOKPUEPAEAE-CABCVRRESA-N	1	1	371.460	2.154	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000128268145	544042367	/nfs/dbraw/zinc/04/23/67/544042367.db2.gz	WCBWBFNJKMDOKI-MRXNPFEDSA-N	1	1	360.454	2.054	20	30		FEEDMO
C=CCOc1ccccc1C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1	ZINC000129297840	544103799	/nfs/dbraw/zinc/10/37/99/544103799.db2.gz	FQUGWIBRPQVGNV-UHFFFAOYSA-N	1	1	357.498	2.382	20	30		FEEDMO
C=CCOc1ccccc1CN1CCCN(CC(=O)N2CCCC2)CC1	ZINC000129297840	544103800	/nfs/dbraw/zinc/10/38/00/544103800.db2.gz	FQUGWIBRPQVGNV-UHFFFAOYSA-N	1	1	357.498	2.382	20	30		FEEDMO
C=CCOc1ccccc1CN1CCC[N@H+](CC(=O)N2CCCC2)CC1	ZINC000129297840	544103801	/nfs/dbraw/zinc/10/38/01/544103801.db2.gz	FQUGWIBRPQVGNV-UHFFFAOYSA-N	1	1	357.498	2.382	20	30		FEEDMO
C=CCOc1ccccc1CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1	ZINC000129297840	544103802	/nfs/dbraw/zinc/10/38/02/544103802.db2.gz	FQUGWIBRPQVGNV-UHFFFAOYSA-N	1	1	357.498	2.382	20	30		FEEDMO
CC(C)(C#N)c1ccccc1CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000131338526	544186622	/nfs/dbraw/zinc/18/66/22/544186622.db2.gz	ITHQATDYGDGDHL-LJQANCHMSA-N	1	1	354.498	2.402	20	30		FEEDMO
CC(C)(C#N)c1ccccc1CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000131338526	544186625	/nfs/dbraw/zinc/18/66/25/544186625.db2.gz	ITHQATDYGDGDHL-LJQANCHMSA-N	1	1	354.498	2.402	20	30		FEEDMO
N#CCCN(Cc1ccccn1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000132882863	544247425	/nfs/dbraw/zinc/24/74/25/544247425.db2.gz	JYYIKIUOXYHGQI-FQEVSTJZSA-N	1	1	364.449	2.225	20	30		FEEDMO
N#CCCN(Cc1ccccn1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000132882863	544247427	/nfs/dbraw/zinc/24/74/27/544247427.db2.gz	JYYIKIUOXYHGQI-FQEVSTJZSA-N	1	1	364.449	2.225	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1ccco1	ZINC000133190058	544259366	/nfs/dbraw/zinc/25/93/66/544259366.db2.gz	HGDVMIGZVYMHHR-QGZVFWFLSA-N	1	1	354.410	2.227	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000133916874	544288066	/nfs/dbraw/zinc/28/80/66/544288066.db2.gz	PGWBGJIPXVSUFI-OAHLLOKOSA-N	1	1	374.510	2.431	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1	ZINC000134876380	544324343	/nfs/dbraw/zinc/32/43/43/544324343.db2.gz	IWOAARHBKFMFDJ-SLYNCCJLSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1	ZINC000134876380	544324344	/nfs/dbraw/zinc/32/43/44/544324344.db2.gz	IWOAARHBKFMFDJ-SLYNCCJLSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1	ZINC000134876380	544324346	/nfs/dbraw/zinc/32/43/46/544324346.db2.gz	IWOAARHBKFMFDJ-SLYNCCJLSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000134876380	544324347	/nfs/dbraw/zinc/32/43/47/544324347.db2.gz	IWOAARHBKFMFDJ-SLYNCCJLSA-N	1	1	355.482	2.247	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1	ZINC000135835313	544361936	/nfs/dbraw/zinc/36/19/36/544361936.db2.gz	KOXGYATVZMXTMU-CQSZACIVSA-N	1	1	360.433	2.264	20	30		FEEDMO
CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000153321254	544761415	/nfs/dbraw/zinc/76/14/15/544761415.db2.gz	JEXYMZFIPGGWQY-ZDUSSCGKSA-N	1	1	370.457	2.154	20	30		FEEDMO
O=C(C[N@H+]1CC[C@]2(CCOC2)C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000154035290	544856572	/nfs/dbraw/zinc/85/65/72/544856572.db2.gz	NKDDYFVJDLNDKR-SFHVURJKSA-N	1	1	366.383	2.286	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1	ZINC000154623634	544929845	/nfs/dbraw/zinc/92/98/45/544929845.db2.gz	PKKKJNAECLNQNE-UHFFFAOYSA-N	1	1	359.433	2.202	20	30		FEEDMO
C#C[C@@H](NC(=O)CC[NH+]1CCN(CC)CC1)c1ccc(Cl)cc1F	ZINC000804420415	674285680	/nfs/dbraw/zinc/28/56/80/674285680.db2.gz	HVXDAVNEJIPYDT-QGZVFWFLSA-N	1	1	351.853	2.297	20	30		FEEDMO
C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1	ZINC000185472817	327918285	/nfs/dbraw/zinc/91/82/85/327918285.db2.gz	DVBSRQLDKMMMGQ-YJBOKZPZSA-N	1	1	363.421	2.229	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000189381260	328144542	/nfs/dbraw/zinc/14/45/42/328144542.db2.gz	FZMVDSNBVRUCDF-QGZVFWFLSA-N	1	1	373.501	2.452	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC([C@H]4CCCO4)CC3)C2=O)cc1	ZINC000190079540	328186356	/nfs/dbraw/zinc/18/63/56/328186356.db2.gz	VXIQRSVWOSVGAQ-ZWKOTPCHSA-N	1	1	353.422	2.081	20	30		FEEDMO
CCc1n[nH]c(C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)n1	ZINC000190688818	328224919	/nfs/dbraw/zinc/22/49/19/328224919.db2.gz	OIRWMHPGPNGVCL-UHFFFAOYSA-N	1	1	352.442	2.447	20	30		FEEDMO
CCc1nc(C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)n[nH]1	ZINC000190688818	328224920	/nfs/dbraw/zinc/22/49/20/328224920.db2.gz	OIRWMHPGPNGVCL-UHFFFAOYSA-N	1	1	352.442	2.447	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C	ZINC000190849024	328235973	/nfs/dbraw/zinc/23/59/73/328235973.db2.gz	UWCBGEOYWPGVHG-RHSMWYFYSA-N	1	1	372.469	2.084	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(Cc2cc(C#N)ccc2Br)C[C@H]1C	ZINC000191784729	328281635	/nfs/dbraw/zinc/28/16/35/328281635.db2.gz	ONPKKEJUHBQUJV-CHWSQXEVSA-N	1	1	352.276	2.208	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCCN(c2cccc(F)c2)C1=O	ZINC000089942680	325343598	/nfs/dbraw/zinc/34/35/98/325343598.db2.gz	VAEUYPWNDOCISS-QGZVFWFLSA-N	1	1	370.432	2.063	20	30		FEEDMO
Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943595	325343623	/nfs/dbraw/zinc/34/36/23/325343623.db2.gz	MPKCJSIXZGIINZ-LBPRGKRZSA-N	1	1	358.421	2.203	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1	ZINC000102936436	325502190	/nfs/dbraw/zinc/50/21/90/325502190.db2.gz	XQQXTXAWMIYNDE-FQEVSTJZSA-N	1	1	374.444	2.008	20	30		FEEDMO
CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCN(c2ncccc2C#N)CC1	ZINC000118780474	326102046	/nfs/dbraw/zinc/10/20/46/326102046.db2.gz	VOYZCWDJIVYLBI-SFHVURJKSA-N	1	1	355.486	2.255	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000118810781	326104457	/nfs/dbraw/zinc/10/44/57/326104457.db2.gz	DWSSAPCOVRQRHG-IRXDYDNUSA-N	1	1	357.502	2.192	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1C#N	ZINC000119207927	326137805	/nfs/dbraw/zinc/13/78/05/326137805.db2.gz	BNWFQMVDUXKOMG-BBRMVZONSA-N	1	1	370.453	2.025	20	30		FEEDMO
C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000119859521	326205705	/nfs/dbraw/zinc/20/57/05/326205705.db2.gz	UWRKFXJNNWYSHC-CRAIPNDOSA-N	1	1	368.481	2.057	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1	ZINC000120085316	326228719	/nfs/dbraw/zinc/22/87/19/326228719.db2.gz	UGBUADBPQQKWLU-APWZRJJASA-N	1	1	366.465	2.362	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000121370788	326333207	/nfs/dbraw/zinc/33/32/07/326333207.db2.gz	HLNHYJMUFAYEGD-CYBMUJFWSA-N	1	1	359.451	2.407	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000121370788	326333209	/nfs/dbraw/zinc/33/32/09/326333209.db2.gz	HLNHYJMUFAYEGD-CYBMUJFWSA-N	1	1	359.451	2.407	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000172179584	327185901	/nfs/dbraw/zinc/18/59/01/327185901.db2.gz	BVSCBCLRPVIWMY-UHFFFAOYSA-N	1	1	370.478	2.205	20	30		FEEDMO
COc1ccc(C[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)cc1C#N	ZINC000174274075	327316769	/nfs/dbraw/zinc/31/67/69/327316769.db2.gz	GOJQZADTRCFVQX-UHFFFAOYSA-N	1	1	351.454	2.003	20	30		FEEDMO
CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000174780869	327350496	/nfs/dbraw/zinc/35/04/96/327350496.db2.gz	TWLXVQOYEBSKNZ-UHFFFAOYSA-N	1	1	368.359	2.070	20	30		FEEDMO
Cc1nc(CN2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)oc1C	ZINC000174780648	327350686	/nfs/dbraw/zinc/35/06/86/327350686.db2.gz	NBPZHKGWIVRLMK-UHFFFAOYSA-N	1	1	367.453	2.310	20	30		FEEDMO
N#Cc1csc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1	ZINC000175064399	327371723	/nfs/dbraw/zinc/37/17/23/327371723.db2.gz	DKVJQOXCWHRWLP-HNNXBMFYSA-N	1	1	366.406	2.227	20	30		FEEDMO
C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2cc(C#N)c[nH]2)C[C@H](C)O1	ZINC000175334689	327387609	/nfs/dbraw/zinc/38/76/09/327387609.db2.gz	WLWRPZMIEAMKLS-GJZGRUSLSA-N	1	1	352.438	2.426	20	30		FEEDMO
C[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H]1[NH+]1CCOCC1	ZINC000177233725	327508673	/nfs/dbraw/zinc/50/86/73/327508673.db2.gz	AUGKNCSAQFTPTD-GOEBONIOSA-N	1	1	359.474	2.299	20	30		FEEDMO
COCC[N@@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000264267011	329005938	/nfs/dbraw/zinc/00/59/38/329005938.db2.gz	KPCLSPMOZJTURS-UHFFFAOYSA-N	1	1	365.499	2.158	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+](CCO)C2CCOCC2)cc1Cl	ZINC000275603121	330068830	/nfs/dbraw/zinc/06/88/30/330068830.db2.gz	RSPNYSOINLYWMB-UHFFFAOYSA-N	1	1	351.834	2.014	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000275893443	330100768	/nfs/dbraw/zinc/10/07/68/330100768.db2.gz	HWPIZFRSCAVOGS-KGLIPLIRSA-N	1	1	360.845	2.235	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000805795833	674354644	/nfs/dbraw/zinc/35/46/44/674354644.db2.gz	XBDBYQRNYHPZCT-BEFAXECRSA-N	1	1	351.491	2.400	20	30		FEEDMO
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1	ZINC000155466817	545530080	/nfs/dbraw/zinc/53/00/80/545530080.db2.gz	KFMWLAAXSOLBPK-KRWDZBQOSA-N	1	1	371.481	2.121	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1ccc(C#N)nc1	ZINC000155696891	545558767	/nfs/dbraw/zinc/55/87/67/545558767.db2.gz	AAMKWSGUVJVESW-UHFFFAOYSA-N	1	1	358.467	2.142	20	30		FEEDMO
CN(C[C@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000157243930	545717795	/nfs/dbraw/zinc/71/77/95/545717795.db2.gz	GPMGJZAEKQASLN-NSHDSACASA-N	1	1	361.389	2.149	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@](C)(C(N)=O)c1ccccc1	ZINC000158202357	545834952	/nfs/dbraw/zinc/83/49/52/545834952.db2.gz	OREAUMQJJQAZOY-NQIIRXRSSA-N	1	1	354.450	2.145	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000158386170	545854620	/nfs/dbraw/zinc/85/46/20/545854620.db2.gz	WFROKIMIIFDROQ-INIZCTEOSA-N	1	1	367.453	2.363	20	30		FEEDMO
C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[C@@H]1O	ZINC000159857081	545986193	/nfs/dbraw/zinc/98/61/93/545986193.db2.gz	LJPLQPYLDRWESM-RDJZCZTQSA-N	1	1	368.399	2.266	20	30		FEEDMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000161912908	546135653	/nfs/dbraw/zinc/13/56/53/546135653.db2.gz	XKDRBOOFQADAJP-ROUUACIJSA-N	1	1	360.454	2.353	20	30		FEEDMO
C=CCNc1ncc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)s1	ZINC000162883371	546142748	/nfs/dbraw/zinc/14/27/48/546142748.db2.gz	OCMUYEZBDIRITL-UHFFFAOYSA-N	1	1	352.504	2.171	20	30		FEEDMO
COc1cccc(-c2cc(C(=O)N(CCC#N)CCC[NH+](C)C)n[nH]2)c1	ZINC000164958976	546152488	/nfs/dbraw/zinc/15/24/88/546152488.db2.gz	YGYPDLOYKWWDFV-UHFFFAOYSA-N	1	1	355.442	2.393	20	30		FEEDMO
C[C@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)c1nc(C2CC2)no1	ZINC000174127448	546291948	/nfs/dbraw/zinc/29/19/48/546291948.db2.gz	PVMBOKCQYONMRJ-LBPRGKRZSA-N	1	1	371.441	2.306	20	30		FEEDMO
CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000175386995	546309289	/nfs/dbraw/zinc/30/92/89/546309289.db2.gz	YSRXGEAEUHUCSB-HXUWFJFHSA-N	1	1	369.513	2.260	20	30		FEEDMO
CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000175386995	546309294	/nfs/dbraw/zinc/30/92/94/546309294.db2.gz	YSRXGEAEUHUCSB-HXUWFJFHSA-N	1	1	369.513	2.260	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000175386995	546309303	/nfs/dbraw/zinc/30/93/03/546309303.db2.gz	YSRXGEAEUHUCSB-HXUWFJFHSA-N	1	1	369.513	2.260	20	30		FEEDMO
C[N@@H+](CCNC(=O)NCCOc1ccc(C#N)cc1)Cc1ccccc1	ZINC000175815601	546355582	/nfs/dbraw/zinc/35/55/82/546355582.db2.gz	SMDYGNSFIJEQNR-UHFFFAOYSA-N	1	1	352.438	2.368	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1	ZINC000175851568	546361337	/nfs/dbraw/zinc/36/13/37/546361337.db2.gz	BTENQAFJFZTROE-JKSUJKDBSA-N	1	1	360.483	2.292	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000176001630	546389218	/nfs/dbraw/zinc/38/92/18/546389218.db2.gz	GWPLBQUTBQBPDT-MRXNPFEDSA-N	1	1	358.417	2.017	20	30		FEEDMO
Cn1cc(CNc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1C#N	ZINC000480295223	561206610	/nfs/dbraw/zinc/20/66/10/561206610.db2.gz	QXVBYTTZRZCYAR-QGZVFWFLSA-N	1	1	351.454	2.206	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1	ZINC000178473972	546799761	/nfs/dbraw/zinc/79/97/61/546799761.db2.gz	PLEGLVJFZPEQGK-HNNXBMFYSA-N	1	1	364.449	2.442	20	30		FEEDMO
C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1CCOC1	ZINC000178788013	546850433	/nfs/dbraw/zinc/85/04/33/546850433.db2.gz	MCRVXMYHVNQMHS-OAHLLOKOSA-N	1	1	354.372	2.141	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1C#N	ZINC000179474299	546960529	/nfs/dbraw/zinc/96/05/29/546960529.db2.gz	SRJWFWJACUOABS-RTBURBONSA-N	1	1	362.433	2.367	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1	ZINC000179508296	546968284	/nfs/dbraw/zinc/96/82/84/546968284.db2.gz	JBPCNYVDLRBOIT-DLBZAZTESA-N	1	1	367.453	2.173	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1	ZINC000179508296	546968287	/nfs/dbraw/zinc/96/82/87/546968287.db2.gz	JBPCNYVDLRBOIT-DLBZAZTESA-N	1	1	367.453	2.173	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1	ZINC000179508296	546968290	/nfs/dbraw/zinc/96/82/90/546968290.db2.gz	JBPCNYVDLRBOIT-DLBZAZTESA-N	1	1	367.453	2.173	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1	ZINC000179893162	547025762	/nfs/dbraw/zinc/02/57/62/547025762.db2.gz	SQWPNDGBKAZUGP-LJQANCHMSA-N	1	1	356.466	2.160	20	30		FEEDMO
C=CCNC(=O)CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000180396666	547100131	/nfs/dbraw/zinc/10/01/31/547100131.db2.gz	MAZACCXJHXRBIC-INIZCTEOSA-N	1	1	358.486	2.020	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](CC(N)=O)c1ccccc1	ZINC000483097165	561267214	/nfs/dbraw/zinc/26/72/14/561267214.db2.gz	GXQDZXCUBZNTTG-HNNXBMFYSA-N	1	1	356.451	2.497	20	30		FEEDMO
C=C(C)C[N@@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1	ZINC000181329501	547294204	/nfs/dbraw/zinc/29/42/04/547294204.db2.gz	OXTKNEKFFJSLKY-UHFFFAOYSA-N	1	1	356.426	2.495	20	30		FEEDMO
C=C(C)C[N@H+](C)CC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1	ZINC000181329501	547294209	/nfs/dbraw/zinc/29/42/09/547294209.db2.gz	OXTKNEKFFJSLKY-UHFFFAOYSA-N	1	1	356.426	2.495	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1	ZINC000483280071	561272836	/nfs/dbraw/zinc/27/28/36/561272836.db2.gz	SNRGEFUPWBEDLO-SCLBCKFNSA-N	1	1	360.483	2.074	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@](C)(C(N)=O)C1	ZINC000483280071	561272837	/nfs/dbraw/zinc/27/28/37/561272837.db2.gz	SNRGEFUPWBEDLO-SCLBCKFNSA-N	1	1	360.483	2.074	20	30		FEEDMO
C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1cccc(C#N)c1	ZINC000181964672	547414786	/nfs/dbraw/zinc/41/47/86/547414786.db2.gz	QFMNJELMOLNFIL-HNNXBMFYSA-N	1	1	373.478	2.022	20	30		FEEDMO
CCCc1[nH+]ccn1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000182759311	547547620	/nfs/dbraw/zinc/54/76/20/547547620.db2.gz	WECZOFFPSQXEBH-HNNXBMFYSA-N	1	1	357.483	2.306	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC3(CCC3)C2)CC1	ZINC000182851470	547562062	/nfs/dbraw/zinc/56/20/62/547562062.db2.gz	VVPCZNVMFASSLR-INIZCTEOSA-N	1	1	358.511	2.333	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000183249842	547626858	/nfs/dbraw/zinc/62/68/58/547626858.db2.gz	AGNRHMWCVFAVDN-QGZVFWFLSA-N	1	1	351.454	2.307	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1	ZINC000183783538	547718838	/nfs/dbraw/zinc/71/88/38/547718838.db2.gz	QTHKXLDENVRYEU-QOOAHNBZSA-N	1	1	367.449	2.164	20	30		FEEDMO
CC1([C@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)OCCO1	ZINC000183862265	547730718	/nfs/dbraw/zinc/73/07/18/547730718.db2.gz	JFSACJMJNWUBPO-LSDHHAIUSA-N	1	1	361.467	2.200	20	30		FEEDMO
CC1([C@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)OCCO1	ZINC000183862265	547730720	/nfs/dbraw/zinc/73/07/20/547730720.db2.gz	JFSACJMJNWUBPO-LSDHHAIUSA-N	1	1	361.467	2.200	20	30		FEEDMO
CC(C)(C#N)CNC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000484791895	561306199	/nfs/dbraw/zinc/30/61/99/561306199.db2.gz	ZIJXRCJVCPQRCT-UHFFFAOYSA-N	1	1	371.529	2.433	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000184213908	547787635	/nfs/dbraw/zinc/78/76/35/547787635.db2.gz	JJGOHBHTMLFFIW-INIZCTEOSA-N	1	1	373.501	2.493	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000184213924	547787738	/nfs/dbraw/zinc/78/77/38/547787738.db2.gz	JJGOHBHTMLFFIW-MRXNPFEDSA-N	1	1	373.501	2.493	20	30		FEEDMO
O=C(NCC[N@H+]1CC=CCC1)C(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000484970762	561309656	/nfs/dbraw/zinc/30/96/56/561309656.db2.gz	MVIKMXMMLOJUGB-UHFFFAOYSA-N	1	1	373.456	2.403	20	30		FEEDMO
O=C(NCC[N@@H+]1CC=CCC1)C(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000484970762	561309657	/nfs/dbraw/zinc/30/96/57/561309657.db2.gz	MVIKMXMMLOJUGB-UHFFFAOYSA-N	1	1	373.456	2.403	20	30		FEEDMO
C=CC[C@H](C(=O)NC1CC[NH+](CC(=O)NCCC)CC1)c1ccccc1	ZINC000186670920	548169853	/nfs/dbraw/zinc/16/98/53/548169853.db2.gz	KWYVILZYGMNCPJ-IBGZPJMESA-N	1	1	357.498	2.453	20	30		FEEDMO
C=C(C)COCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000190582271	548329216	/nfs/dbraw/zinc/32/92/16/548329216.db2.gz	PFCKQPVHLRBOCO-IBGZPJMESA-N	1	1	361.486	2.169	20	30		FEEDMO
N#Cc1ccc(CC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1	ZINC000194857434	548541429	/nfs/dbraw/zinc/54/14/29/548541429.db2.gz	BIDFFLLIRBXOQG-UHFFFAOYSA-N	1	1	366.440	2.178	20	30		FEEDMO
CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(C#N)c(C)n1	ZINC000195185282	548592563	/nfs/dbraw/zinc/59/25/63/548592563.db2.gz	VSGUZOMXDHSYDX-KRWDZBQOSA-N	1	1	372.469	2.141	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000487572514	561372093	/nfs/dbraw/zinc/37/20/93/561372093.db2.gz	LKDDXMMEEFTEOJ-ZTFGCOKTSA-N	1	1	360.889	2.247	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000487572510	561372207	/nfs/dbraw/zinc/37/22/07/561372207.db2.gz	LKDDXMMEEFTEOJ-JLSDUUJJSA-N	1	1	360.889	2.247	20	30		FEEDMO
CO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1OC	ZINC000487939407	561379420	/nfs/dbraw/zinc/37/94/20/561379420.db2.gz	ASEVNXZQICVJBN-YTQUADARSA-N	1	1	359.470	2.284	20	30		FEEDMO
CO[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1OC	ZINC000487939407	561379421	/nfs/dbraw/zinc/37/94/21/561379421.db2.gz	ASEVNXZQICVJBN-YTQUADARSA-N	1	1	359.470	2.284	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1	ZINC000245507680	548935665	/nfs/dbraw/zinc/93/56/65/548935665.db2.gz	IHAYAKFLONBRHD-KNQAVFIVSA-N	1	1	364.445	2.472	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1	ZINC000245507680	548935671	/nfs/dbraw/zinc/93/56/71/548935671.db2.gz	IHAYAKFLONBRHD-KNQAVFIVSA-N	1	1	364.445	2.472	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000245536574	548940940	/nfs/dbraw/zinc/94/09/40/548940940.db2.gz	XIRKPYFFIJUZCK-IEBWSBKVSA-N	1	1	364.453	2.057	20	30		FEEDMO
COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](Cc2[nH+]ccn2C)C1	ZINC000245820539	548998200	/nfs/dbraw/zinc/99/82/00/548998200.db2.gz	DVIAISONRRUIDR-QFBILLFUSA-N	1	1	352.438	2.461	20	30		FEEDMO
COCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000245820632	548998295	/nfs/dbraw/zinc/99/82/95/548998295.db2.gz	DWKSHOAFWIQOFJ-PKOBYXMFSA-N	1	1	359.470	2.449	20	30		FEEDMO
COCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000245820632	548998301	/nfs/dbraw/zinc/99/83/01/548998301.db2.gz	DWKSHOAFWIQOFJ-PKOBYXMFSA-N	1	1	359.470	2.449	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000488146884	561384481	/nfs/dbraw/zinc/38/44/81/561384481.db2.gz	PAIYTZHPRCZJBB-YSIASYRMSA-N	1	1	369.509	2.438	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1	ZINC000245928975	549022033	/nfs/dbraw/zinc/02/20/33/549022033.db2.gz	UOLZRHJXRJVEAB-ZWKOTPCHSA-N	1	1	368.412	2.454	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21	ZINC000246061675	549044662	/nfs/dbraw/zinc/04/46/62/549044662.db2.gz	BICWYGZHMJSKNT-RCLSDMTESA-N	1	1	361.482	2.423	20	30		FEEDMO
C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2F)C1=O	ZINC000246101585	549052658	/nfs/dbraw/zinc/05/26/58/549052658.db2.gz	WLDFNFNGGCAGQA-RBUKOAKNSA-N	1	1	353.397	2.468	20	30		FEEDMO
C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2F)C1=O	ZINC000246101585	549052661	/nfs/dbraw/zinc/05/26/61/549052661.db2.gz	WLDFNFNGGCAGQA-RBUKOAKNSA-N	1	1	353.397	2.468	20	30		FEEDMO
CCN(C[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1)CC(F)(F)F	ZINC000246285171	549097280	/nfs/dbraw/zinc/09/72/80/549097280.db2.gz	XFLBQNIYVHRDDS-CZUORRHYSA-N	1	1	360.424	2.001	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c(C#N)c1C	ZINC000246292640	549098515	/nfs/dbraw/zinc/09/85/15/549098515.db2.gz	VGYVLUZKIZCVOE-DZGCQCFKSA-N	1	1	374.485	2.280	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1	ZINC000246316740	549103777	/nfs/dbraw/zinc/10/37/77/549103777.db2.gz	KEZCUGZZAAAZCB-WOJBJXKFSA-N	1	1	371.481	2.061	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1	ZINC000246316740	549103782	/nfs/dbraw/zinc/10/37/82/549103782.db2.gz	KEZCUGZZAAAZCB-WOJBJXKFSA-N	1	1	371.481	2.061	20	30		FEEDMO
N#Cc1ccsc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000246451813	549136117	/nfs/dbraw/zinc/13/61/17/549136117.db2.gz	BXOGMUVTVOPQSA-SJORKVTESA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1ccsc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000246451813	549136120	/nfs/dbraw/zinc/13/61/20/549136120.db2.gz	BXOGMUVTVOPQSA-SJORKVTESA-N	1	1	355.463	2.233	20	30		FEEDMO
CCN(C[C@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000488703361	561394820	/nfs/dbraw/zinc/39/48/20/561394820.db2.gz	VGMIDFKJPYZXJN-MSOLQXFVSA-N	1	1	372.513	2.005	20	30		FEEDMO
C=CCn1cccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000488824687	561397729	/nfs/dbraw/zinc/39/77/29/561397729.db2.gz	ZKRVRUBFWVDDKQ-RTBURBONSA-N	1	1	353.466	2.287	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1	ZINC000246878387	549233985	/nfs/dbraw/zinc/23/39/85/549233985.db2.gz	UUPAHMUQVYVEMJ-YJBOKZPZSA-N	1	1	365.437	2.183	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H]2OCCC[C@H]2C1	ZINC000246878387	549233991	/nfs/dbraw/zinc/23/39/91/549233991.db2.gz	UUPAHMUQVYVEMJ-YJBOKZPZSA-N	1	1	365.437	2.183	20	30		FEEDMO
C=CCCCS(=O)(=O)NCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000489135154	561404145	/nfs/dbraw/zinc/40/41/45/561404145.db2.gz	VWKBNLZCINFUGM-UHFFFAOYSA-N	1	1	351.516	2.084	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)cc1	ZINC000248906287	549525131	/nfs/dbraw/zinc/52/51/31/549525131.db2.gz	UWSWFQFMVLZNTM-HNAYVOBHSA-N	1	1	355.463	2.357	20	30		FEEDMO
C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000248988357	549536600	/nfs/dbraw/zinc/53/66/00/549536600.db2.gz	GSYFQKHWYPMIJD-OLMMMNRUSA-N	1	1	368.481	2.037	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000249117917	549555425	/nfs/dbraw/zinc/55/54/25/549555425.db2.gz	BMPSOCAVYGNRLA-LRDDRELGSA-N	1	1	360.845	2.093	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)[C@@H](C)C1	ZINC000249154248	549561119	/nfs/dbraw/zinc/56/11/19/549561119.db2.gz	HYXXLLXIRSJCMC-BLLLJJGKSA-N	1	1	362.861	2.339	20	30		FEEDMO
COCCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000249363072	549583232	/nfs/dbraw/zinc/58/32/32/549583232.db2.gz	LZYRYQFDOCYBPO-VZDIDWBNSA-N	1	1	351.491	2.043	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2CC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000249819320	549631228	/nfs/dbraw/zinc/63/12/28/549631228.db2.gz	MONONSRNRZBOBT-JTDSTZFVSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2CC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000249819320	549631231	/nfs/dbraw/zinc/63/12/31/549631231.db2.gz	MONONSRNRZBOBT-JTDSTZFVSA-N	1	1	356.470	2.070	20	30		FEEDMO
CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000490729035	561437925	/nfs/dbraw/zinc/43/79/25/561437925.db2.gz	KLCIDHZEKOQLSP-NVXWUHKLSA-N	1	1	359.474	2.236	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1	ZINC000263875607	549949759	/nfs/dbraw/zinc/94/97/59/549949759.db2.gz	NHOWUDISIOVTLQ-ROUUACIJSA-N	1	1	357.454	2.323	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000264647287	549999150	/nfs/dbraw/zinc/99/91/50/549999150.db2.gz	DKQMLOXTOFLCJU-UHFFFAOYSA-N	1	1	353.426	2.035	20	30		FEEDMO
C#CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1	ZINC000266871368	550025301	/nfs/dbraw/zinc/02/53/01/550025301.db2.gz	NAUVWRSGCCAUFD-MSOLQXFVSA-N	1	1	369.465	2.111	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](CC(N)=O)C1	ZINC000266925901	550025620	/nfs/dbraw/zinc/02/56/20/550025620.db2.gz	KAFHQEKRDXAENB-HUUCEWRRSA-N	1	1	360.433	2.048	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)N2CC[NH+](CCOC(C)C)CC2)cc1	ZINC000266937031	550025981	/nfs/dbraw/zinc/02/59/81/550025981.db2.gz	ROGQHJHZAWEUFW-UHFFFAOYSA-N	1	1	374.485	2.177	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1	ZINC000267423017	550031018	/nfs/dbraw/zinc/03/10/18/550031018.db2.gz	WVIKHBOFICZECM-UHFFFAOYSA-N	1	1	356.514	2.221	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+](C)C1CCN(CCc2ccccn2)CC1	ZINC000267423017	550031020	/nfs/dbraw/zinc/03/10/20/550031020.db2.gz	WVIKHBOFICZECM-UHFFFAOYSA-N	1	1	356.514	2.221	20	30		FEEDMO
C[C@@H](NC(=[NH2+])NC[C@H]1CN(C)CCN1C)c1ccc(Cl)cc1Cl	ZINC000267446784	550031587	/nfs/dbraw/zinc/03/15/87/550031587.db2.gz	QHDKJYRPZYUASP-YPMHNXCESA-N	1	1	358.317	2.205	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+](CCO)Cc2cccnc2)c(OC)c1	ZINC000268689842	550104393	/nfs/dbraw/zinc/10/43/93/550104393.db2.gz	ORXMZTWJMGRUGF-LJQANCHMSA-N	1	1	372.465	2.053	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC2(CC1)OCCc1ccsc12	ZINC000492332354	561450914	/nfs/dbraw/zinc/45/09/14/561450914.db2.gz	WMFGOJQVQPPMPH-UHFFFAOYSA-N	1	1	372.494	2.268	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000269066366	550150859	/nfs/dbraw/zinc/15/08/59/550150859.db2.gz	CWMXBVMOOSMXJL-QWHCGFSZSA-N	1	1	362.861	2.387	20	30		FEEDMO
N#Cc1ccc(/C=C/C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1	ZINC000269587127	550208673	/nfs/dbraw/zinc/20/86/73/550208673.db2.gz	XJGPQKDZWHFYKC-LCCNJJIFSA-N	1	1	361.445	2.107	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000270852720	550314271	/nfs/dbraw/zinc/31/42/71/550314271.db2.gz	MCJOXIJFUFOJTF-PZJWPPBQSA-N	1	1	363.461	2.480	20	30		FEEDMO
C=CCc1cc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)cc(OC)c1O	ZINC000271126366	550342839	/nfs/dbraw/zinc/34/28/39/550342839.db2.gz	HJDPEILUKJHAFJ-SFHVURJKSA-N	1	1	367.486	2.364	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1CCC#N	ZINC000271192378	550350729	/nfs/dbraw/zinc/35/07/29/550350729.db2.gz	SLDHVBRXDPUZSP-BBWFWOEESA-N	1	1	374.489	2.211	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1CCC#N	ZINC000271192378	550350731	/nfs/dbraw/zinc/35/07/31/550350731.db2.gz	SLDHVBRXDPUZSP-BBWFWOEESA-N	1	1	374.489	2.211	20	30		FEEDMO
CCN1CC[NH+](CCCNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1	ZINC000494151088	561463555	/nfs/dbraw/zinc/46/35/55/561463555.db2.gz	XWSZYMKCCBLABK-FQEVSTJZSA-N	1	1	372.513	2.105	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)c(F)c1	ZINC000494273059	561466119	/nfs/dbraw/zinc/46/61/19/561466119.db2.gz	FAEGZPLAWDWZIZ-JTQLQIEISA-N	1	1	372.238	2.420	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)c(F)c1	ZINC000494273059	561466120	/nfs/dbraw/zinc/46/61/20/561466120.db2.gz	FAEGZPLAWDWZIZ-JTQLQIEISA-N	1	1	372.238	2.420	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2Br)CC1	ZINC000271996979	550415435	/nfs/dbraw/zinc/41/54/35/550415435.db2.gz	GLFIOEOQQGIZSH-CQSZACIVSA-N	1	1	364.287	2.417	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000494315977	561467027	/nfs/dbraw/zinc/46/70/27/561467027.db2.gz	SVWNBJSNQLGNKG-QHAWAJNXSA-N	1	1	371.525	2.463	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1	ZINC000494315977	561467028	/nfs/dbraw/zinc/46/70/28/561467028.db2.gz	SVWNBJSNQLGNKG-QHAWAJNXSA-N	1	1	371.525	2.463	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000494315977	561467029	/nfs/dbraw/zinc/46/70/29/561467029.db2.gz	SVWNBJSNQLGNKG-QHAWAJNXSA-N	1	1	371.525	2.463	20	30		FEEDMO
Cc1cc(NC(=O)NCc2cccnc2-n2cc[nH+]c2C)nn1CCC#N	ZINC000272122710	550423924	/nfs/dbraw/zinc/42/39/24/550423924.db2.gz	SMVMFLOOBDQINM-UHFFFAOYSA-N	1	1	364.413	2.316	20	30		FEEDMO
COc1cc2c(cc1OC)CN(C(=O)C[NH+]1CCC(C)(C#N)CC1)CC2	ZINC000272617376	550461225	/nfs/dbraw/zinc/46/12/25/550461225.db2.gz	UBPWDSJVYRRFQT-UHFFFAOYSA-N	1	1	357.454	2.214	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)c1cc(C#N)ccc1C)CCC(F)(F)F	ZINC000494422699	561469461	/nfs/dbraw/zinc/46/94/61/561469461.db2.gz	CZMJWLBLZCHNAH-UHFFFAOYSA-N	1	1	363.405	2.419	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1cc(C#N)ccc1C)CCC(F)(F)F	ZINC000494422699	561469462	/nfs/dbraw/zinc/46/94/62/561469462.db2.gz	CZMJWLBLZCHNAH-UHFFFAOYSA-N	1	1	363.405	2.419	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1	ZINC000272672098	550464098	/nfs/dbraw/zinc/46/40/98/550464098.db2.gz	JFYWASIIKVXNQM-OAHLLOKOSA-N	1	1	357.454	2.492	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000272937467	550477473	/nfs/dbraw/zinc/47/74/73/550477473.db2.gz	NJYDDOZEVXERSL-DZGCQCFKSA-N	1	1	372.444	2.405	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000273072517	550483712	/nfs/dbraw/zinc/48/37/12/550483712.db2.gz	AFUKHNABMQHALL-NVXWUHKLSA-N	1	1	358.442	2.332	20	30		FEEDMO
C#CCN(C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1)C1CC1	ZINC000274078906	550522294	/nfs/dbraw/zinc/52/22/94/550522294.db2.gz	GUKZIGRRFMFPCV-INIZCTEOSA-N	1	1	357.454	2.085	20	30		FEEDMO
C#CCN(C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1)C1CC1	ZINC000274078906	550522296	/nfs/dbraw/zinc/52/22/96/550522296.db2.gz	GUKZIGRRFMFPCV-INIZCTEOSA-N	1	1	357.454	2.085	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N[C@](C)(C#N)C1CC1	ZINC000274838556	550558504	/nfs/dbraw/zinc/55/85/04/550558504.db2.gz	NWUDVWGYZKWGMH-OZOXKJRCSA-N	1	1	354.498	2.295	20	30		FEEDMO
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@](C)(C#N)C1CC1	ZINC000274838556	550558505	/nfs/dbraw/zinc/55/85/05/550558505.db2.gz	NWUDVWGYZKWGMH-OZOXKJRCSA-N	1	1	354.498	2.295	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(OCC(=O)OC)cc1	ZINC000274889734	550562891	/nfs/dbraw/zinc/56/28/91/550562891.db2.gz	PLANZEAVAJBCJS-MRXNPFEDSA-N	1	1	360.454	2.259	20	30		FEEDMO
CN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccnc1C#N	ZINC000277216233	550644424	/nfs/dbraw/zinc/64/44/24/550644424.db2.gz	RFSXJHLFVVXBDC-KRWDZBQOSA-N	1	1	370.478	2.238	20	30		FEEDMO
CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccnc1C#N	ZINC000277216233	550644425	/nfs/dbraw/zinc/64/44/25/550644425.db2.gz	RFSXJHLFVVXBDC-KRWDZBQOSA-N	1	1	370.478	2.238	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)[C@@H](C)C1	ZINC000277814431	550717284	/nfs/dbraw/zinc/71/72/84/550717284.db2.gz	WNTASDPZDVKNIR-KSSFIOAISA-N	1	1	373.501	2.260	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc([C@H]3CC(=O)N(c4ccccc4)C3)no2)CC1	ZINC000277892057	550725959	/nfs/dbraw/zinc/72/59/59/550725959.db2.gz	LKFFKZNAXVULKT-INIZCTEOSA-N	1	1	350.422	2.403	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+][C@H]1CCCc2oc(C(=O)OCC)c(C)c21	ZINC000278397598	550780998	/nfs/dbraw/zinc/78/09/98/550780998.db2.gz	FIWPDVJKWLVIIY-ZDUSSCGKSA-N	1	1	355.456	2.333	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1C#N	ZINC000278562778	550799366	/nfs/dbraw/zinc/79/93/66/550799366.db2.gz	MRWFDTYFQXWKIF-LSDHHAIUSA-N	1	1	360.458	2.264	20	30		FEEDMO
C#CC(C)(C)[N@H+](C)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000279307425	550875729	/nfs/dbraw/zinc/87/57/29/550875729.db2.gz	RAWCHQHOHKGSIB-UHFFFAOYSA-N	1	1	359.495	2.158	20	30		FEEDMO
C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1	ZINC000279307425	550875731	/nfs/dbraw/zinc/87/57/31/550875731.db2.gz	RAWCHQHOHKGSIB-UHFFFAOYSA-N	1	1	359.495	2.158	20	30		FEEDMO
Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CCOc1ccc(C#N)cc1	ZINC000279718912	550920866	/nfs/dbraw/zinc/92/08/66/550920866.db2.gz	MEZACQPCHUDAJH-HKUYNNGSSA-N	1	1	371.460	2.215	20	30		FEEDMO
C[C@@H]1OCC[C@@]12C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CCO2	ZINC000280426629	550992288	/nfs/dbraw/zinc/99/22/88/550992288.db2.gz	METJOWRPJJBPHW-MGPUTAFESA-N	1	1	352.438	2.339	20	30		FEEDMO
C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CCO2	ZINC000280426629	550992289	/nfs/dbraw/zinc/99/22/89/550992289.db2.gz	METJOWRPJJBPHW-MGPUTAFESA-N	1	1	352.438	2.339	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000280658385	551018530	/nfs/dbraw/zinc/01/85/30/551018530.db2.gz	DRRLBNPDKPUDDK-OXQOHEQNSA-N	1	1	356.470	2.026	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(Br)c1	ZINC000281347999	551087000	/nfs/dbraw/zinc/08/70/00/551087000.db2.gz	MXLHPIBGHAKPOY-OCCSQVGLSA-N	1	1	350.216	2.251	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(Br)c1	ZINC000281347999	551087001	/nfs/dbraw/zinc/08/70/01/551087001.db2.gz	MXLHPIBGHAKPOY-OCCSQVGLSA-N	1	1	350.216	2.251	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1	ZINC000281449440	551098829	/nfs/dbraw/zinc/09/88/29/551098829.db2.gz	UPRUSTRUPYLLRR-LZWOXQAQSA-N	1	1	363.483	2.082	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1=O	ZINC000281480362	551103132	/nfs/dbraw/zinc/10/31/32/551103132.db2.gz	WMMPVRVSAXYDPB-MRXNPFEDSA-N	1	1	360.845	2.259	20	30		FEEDMO
C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1	ZINC000281489841	551103945	/nfs/dbraw/zinc/10/39/45/551103945.db2.gz	PVVIRKLQKGVLBD-NVXWUHKLSA-N	1	1	359.470	2.489	20	30		FEEDMO
CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000497371596	561499651	/nfs/dbraw/zinc/49/96/51/561499651.db2.gz	QHAQHILSADHYMV-APWZRJJASA-N	1	1	370.497	2.191	20	30		FEEDMO
COc1cc(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)ccc1C#N	ZINC000282128892	551184155	/nfs/dbraw/zinc/18/41/55/551184155.db2.gz	BHGNARJVECJYHO-CYBMUJFWSA-N	1	1	359.451	2.407	20	30		FEEDMO
C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccco2)CC1	ZINC000282302727	551208905	/nfs/dbraw/zinc/20/89/05/551208905.db2.gz	OVHUCYGLRWRBRR-UHFFFAOYSA-N	1	1	350.426	2.441	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)O1	ZINC000282365762	551218189	/nfs/dbraw/zinc/21/81/89/551218189.db2.gz	DOKSQKNTHITYQR-ZSGPHXLJSA-N	1	1	371.437	2.070	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCOc2ccc(C#N)cc2OC)O1	ZINC000282398052	551223053	/nfs/dbraw/zinc/22/30/53/551223053.db2.gz	HKJPBIFGVBVXRO-ZIGSKRJUSA-N	1	1	374.437	2.129	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CCOc2ccc(C#N)cc2OC)O1	ZINC000282398052	551223055	/nfs/dbraw/zinc/22/30/55/551223055.db2.gz	HKJPBIFGVBVXRO-ZIGSKRJUSA-N	1	1	374.437	2.129	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c(F)c1	ZINC000283069513	551306900	/nfs/dbraw/zinc/30/69/00/551306900.db2.gz	XIJOLTXWPURYRQ-CHWSQXEVSA-N	1	1	363.408	2.121	20	30		FEEDMO
C=C(C)Cn1c(-c2cccnc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000283476322	551372674	/nfs/dbraw/zinc/37/26/74/551372674.db2.gz	BTQABUDUURSVJC-CALCHBBNSA-N	1	1	370.501	2.462	20	30		FEEDMO
C=C(C)Cn1c(-c2cccnc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000283476322	551372676	/nfs/dbraw/zinc/37/26/76/551372676.db2.gz	BTQABUDUURSVJC-CALCHBBNSA-N	1	1	370.501	2.462	20	30		FEEDMO
C=CCn1c(N)nnc1SC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000283534508	551383178	/nfs/dbraw/zinc/38/31/78/551383178.db2.gz	MPVHZFFBGFSNGB-INIZCTEOSA-N	1	1	359.499	2.430	20	30		FEEDMO
C[C@H](NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccc(C#N)cc1	ZINC000283905912	551447335	/nfs/dbraw/zinc/44/73/35/551447335.db2.gz	IGMVGIXISROSGC-INIZCTEOSA-N	1	1	368.481	2.212	20	30		FEEDMO
COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2ccccc2C#N)cc1	ZINC000284007143	551466658	/nfs/dbraw/zinc/46/66/58/551466658.db2.gz	PSBLTWYTIMTOAV-KRWDZBQOSA-N	1	1	359.451	2.148	20	30		FEEDMO
COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000284076536	551479744	/nfs/dbraw/zinc/47/97/44/551479744.db2.gz	UUJGZPVLVWHLQI-SFHVURJKSA-N	1	1	359.451	2.148	20	30		FEEDMO
N#CC1(NC(=O)c2nccn3ccnc23)CC[NH+](Cc2ccccc2)CC1	ZINC000498222583	561519238	/nfs/dbraw/zinc/51/92/38/561519238.db2.gz	VQWGOMPJAXEYSF-UHFFFAOYSA-N	1	1	360.421	2.017	20	30		FEEDMO
CCCCCC(=O)NC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000498653604	561531130	/nfs/dbraw/zinc/53/11/30/561531130.db2.gz	CDGOTJPLEUIRRW-UHFFFAOYSA-N	1	1	370.497	2.335	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1	ZINC000285235733	551724475	/nfs/dbraw/zinc/72/44/75/551724475.db2.gz	XOAGBPSDZWQGAS-UHFFFAOYSA-N	1	1	358.417	2.361	20	30		FEEDMO
CC(C)[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCN(C)CC1	ZINC000285547520	551773177	/nfs/dbraw/zinc/77/31/77/551773177.db2.gz	GIJKEQRGPHRUAJ-JOCHJYFZSA-N	1	1	369.557	2.389	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@](O)(C(F)(F)F)CC3)C2=O)cc1	ZINC000285720874	551800525	/nfs/dbraw/zinc/80/05/25/551800525.db2.gz	WYHKOWKGYRSBNB-RDJZCZTQSA-N	1	1	367.371	2.443	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@](O)(C(F)(F)F)CC3)C2=O)cc1	ZINC000285720874	551800527	/nfs/dbraw/zinc/80/05/27/551800527.db2.gz	WYHKOWKGYRSBNB-RDJZCZTQSA-N	1	1	367.371	2.443	20	30		FEEDMO
C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000286057072	551843849	/nfs/dbraw/zinc/84/38/49/551843849.db2.gz	RIWXPJDKRUTFKT-OXQOHEQNSA-N	1	1	365.481	2.254	20	30		FEEDMO
N#CCC[C@H](C#N)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000286072022	551845651	/nfs/dbraw/zinc/84/56/51/551845651.db2.gz	RXWFGYUZKQCYPQ-NHCUHLMSSA-N	1	1	351.498	2.322	20	30		FEEDMO
C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1C	ZINC000286321929	551874239	/nfs/dbraw/zinc/87/42/39/551874239.db2.gz	QAYSBBIERAPKKM-PVAVHDDUSA-N	1	1	358.461	2.465	20	30		FEEDMO
CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NCCCCC#N	ZINC000286723111	551918946	/nfs/dbraw/zinc/91/89/46/551918946.db2.gz	LXNVYYGUNOEVAN-SFHVURJKSA-N	1	1	358.486	2.069	20	30		FEEDMO
C#CCN(Cc1ccccc1)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000286985027	551948360	/nfs/dbraw/zinc/94/83/60/551948360.db2.gz	FXNIPGSOMAGVSZ-FQEVSTJZSA-N	1	1	356.514	2.103	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC3=CCCOC3)CC2)cc1	ZINC000287883463	552058649	/nfs/dbraw/zinc/05/86/49/552058649.db2.gz	FRJNIMPQMJJNNG-UHFFFAOYSA-N	1	1	354.454	2.122	20	30		FEEDMO
C[C@@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C1=CC[N@@H+](C)CC1	ZINC000287994826	552072576	/nfs/dbraw/zinc/07/25/76/552072576.db2.gz	VJJPXARAEPIUAV-PBHICJAKSA-N	1	1	356.445	2.290	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000288082109	552087697	/nfs/dbraw/zinc/08/76/97/552087697.db2.gz	VWHMACJIMLVUQV-IRXDYDNUSA-N	1	1	358.461	2.324	20	30		FEEDMO
CC(C)=CCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000288818637	552218104	/nfs/dbraw/zinc/21/81/04/552218104.db2.gz	TZGQJYGVXHOYOQ-UHFFFAOYSA-N	1	1	368.481	2.065	20	30		FEEDMO
CC(C)=CCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000288818637	552218106	/nfs/dbraw/zinc/21/81/06/552218106.db2.gz	TZGQJYGVXHOYOQ-UHFFFAOYSA-N	1	1	368.481	2.065	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cc1noc(C)c1C#N	ZINC000500020555	561564118	/nfs/dbraw/zinc/56/41/18/561564118.db2.gz	RTWDTFPVNBWHBN-QGZVFWFLSA-N	1	1	367.453	2.305	20	30		FEEDMO
COc1nnccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000288973563	552246044	/nfs/dbraw/zinc/24/60/44/552246044.db2.gz	SDCJMUIXEXGDGU-UHFFFAOYSA-N	1	1	366.425	2.097	20	30		FEEDMO
COc1nnccc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000288973563	552246047	/nfs/dbraw/zinc/24/60/47/552246047.db2.gz	SDCJMUIXEXGDGU-UHFFFAOYSA-N	1	1	366.425	2.097	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCC[N@H+](C)CCN(C)C	ZINC000289369048	552308732	/nfs/dbraw/zinc/30/87/32/552308732.db2.gz	IDSFLMCLWVMYCI-LJQANCHMSA-N	1	1	373.545	2.137	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N(C)CCC[N@@H+](C)CCN(C)C	ZINC000289369048	552308735	/nfs/dbraw/zinc/30/87/35/552308735.db2.gz	IDSFLMCLWVMYCI-LJQANCHMSA-N	1	1	373.545	2.137	20	30		FEEDMO
CC[NH+](CC)[C@H](CNS(=O)(=O)c1cncc(C#N)c1)c1ccsc1	ZINC000289790797	552378622	/nfs/dbraw/zinc/37/86/22/552378622.db2.gz	MHOPXVCKHWLMOW-MRXNPFEDSA-N	1	1	364.496	2.376	20	30		FEEDMO
COc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(C#N)o3)C2=O)c(OC)c1	ZINC000290025786	552415932	/nfs/dbraw/zinc/41/59/32/552415932.db2.gz	DNYWYUWNXSZLKW-KRWDZBQOSA-N	1	1	355.394	2.059	20	30		FEEDMO
CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000290299122	552456507	/nfs/dbraw/zinc/45/65/07/552456507.db2.gz	DWFFDAUXXRWBLC-CQSZACIVSA-N	1	1	361.490	2.290	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000290553281	552497562	/nfs/dbraw/zinc/49/75/62/552497562.db2.gz	RLZZYJWAVKWIOI-CQSZACIVSA-N	1	1	368.412	2.273	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c1	ZINC000290810693	552542267	/nfs/dbraw/zinc/54/22/67/552542267.db2.gz	LLHIRKQFNVGNHC-UHFFFAOYSA-N	1	1	362.433	2.226	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC[N@H+](C2CCC2)C1	ZINC000291826791	552665913	/nfs/dbraw/zinc/66/59/13/552665913.db2.gz	FPDRYIUTXKEUHB-CYBMUJFWSA-N	1	1	351.447	2.192	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)nc1	ZINC000292178629	552701732	/nfs/dbraw/zinc/70/17/32/552701732.db2.gz	MHMUDOMNORZUOF-IAGOWNOFSA-N	1	1	354.366	2.048	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292280668	552711636	/nfs/dbraw/zinc/71/16/36/552711636.db2.gz	SVAMFTDSPIQYSS-KRWDZBQOSA-N	1	1	364.405	2.366	20	30		FEEDMO
N#Cc1ccc(CN2CCC[N@H+](C[C@H](O)COCC(F)(F)F)CC2)cc1	ZINC000292545630	552736929	/nfs/dbraw/zinc/73/69/29/552736929.db2.gz	WWBPVPJILQGEKI-KRWDZBQOSA-N	1	1	371.403	2.006	20	30		FEEDMO
CCOc1ccc(NC(=O)CN2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1	ZINC000292833402	552763078	/nfs/dbraw/zinc/76/30/78/552763078.db2.gz	PABFXOAMINRBJO-SJLPKXTDSA-N	1	1	356.470	2.334	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(-c2ccncc2)n1	ZINC000292848526	552764596	/nfs/dbraw/zinc/76/45/96/552764596.db2.gz	SZHBKFFPGYKRJS-GOSISDBHSA-N	1	1	360.421	2.402	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cccc(NC(=O)c2cccnc2)c1	ZINC000293864473	552863580	/nfs/dbraw/zinc/86/35/80/552863580.db2.gz	BLUWAIVIUDUWCY-UHFFFAOYSA-N	1	1	350.422	2.019	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)CCSc1ccc(OC)c(OC)c1	ZINC000293923428	552868268	/nfs/dbraw/zinc/86/82/68/552868268.db2.gz	HFBPRBVYFKPECT-UHFFFAOYSA-N	1	1	350.484	2.257	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000294169338	552887414	/nfs/dbraw/zinc/88/74/14/552887414.db2.gz	JBRVRPQVOARLBB-CQSZACIVSA-N	1	1	353.463	2.191	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1c1ccccc1	ZINC000294289223	552894243	/nfs/dbraw/zinc/89/42/43/552894243.db2.gz	QTRPYIUFAXEOIU-YZGWKJHDSA-N	1	1	353.466	2.396	20	30		FEEDMO
CSc1ccc([C@H](CNS(=O)(=O)CC2(C#N)CC2)[NH+](C)C)cc1	ZINC000294301808	552895352	/nfs/dbraw/zinc/89/53/52/552895352.db2.gz	WZQQKRUGDPAENX-HNNXBMFYSA-N	1	1	353.513	2.234	20	30		FEEDMO
COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc(C#N)cc2Br)C1	ZINC000295166137	552965220	/nfs/dbraw/zinc/96/52/20/552965220.db2.gz	NTBQHFHZWGBWQR-MRXNPFEDSA-N	1	1	367.243	2.332	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@H+](C2CC2)C1	ZINC000295260497	552977955	/nfs/dbraw/zinc/97/79/55/552977955.db2.gz	FZBCHMLQSKTCJN-DOTOQJQBSA-N	1	1	370.472	2.466	20	30		FEEDMO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@H+](C(C)C)CC1	ZINC000295942798	553079241	/nfs/dbraw/zinc/07/92/41/553079241.db2.gz	LPLLGJXVVKFFRF-UHFFFAOYSA-N	1	1	369.473	2.032	20	30		FEEDMO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[NH+]1CCC(O)CC1	ZINC000296253374	553129795	/nfs/dbraw/zinc/12/97/95/553129795.db2.gz	RUKQTZHCBCLHAI-UHFFFAOYSA-N	1	1	373.497	2.050	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CCC(N)=O)CC1	ZINC000502554553	561620951	/nfs/dbraw/zinc/62/09/51/561620951.db2.gz	QXGIHWICBTWLIN-LBPRGKRZSA-N	1	1	374.510	2.413	20	30		FEEDMO
CN(C)CC[NH+]1CCC(Nc2ncc(Br)cc2C#N)CC1	ZINC000296540275	553176794	/nfs/dbraw/zinc/17/67/94/553176794.db2.gz	NVXRQJWCAMJKDE-UHFFFAOYSA-N	1	1	352.280	2.154	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1	ZINC000502787262	561625522	/nfs/dbraw/zinc/62/55/22/561625522.db2.gz	HFYZHAKAQHFSNV-MSOLQXFVSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1	ZINC000502787262	561625523	/nfs/dbraw/zinc/62/55/23/561625523.db2.gz	HFYZHAKAQHFSNV-MSOLQXFVSA-N	1	1	367.511	2.054	20	30		FEEDMO
CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000296831649	553217537	/nfs/dbraw/zinc/21/75/37/553217537.db2.gz	IHOFVDCTMJRPHV-LBPRGKRZSA-N	1	1	362.499	2.266	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000297803676	553340979	/nfs/dbraw/zinc/34/09/79/553340979.db2.gz	OZGDZGJZVAZLMJ-QGZVFWFLSA-N	1	1	361.486	2.027	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C	ZINC000297930155	553358745	/nfs/dbraw/zinc/35/87/45/553358745.db2.gz	YMKJPQKJFOHBMI-QGZVFWFLSA-N	1	1	361.486	2.170	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000298796210	553474061	/nfs/dbraw/zinc/47/40/61/553474061.db2.gz	LSWOVGJBGNKUNZ-DLBZAZTESA-N	1	1	357.454	2.434	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000298796210	553474063	/nfs/dbraw/zinc/47/40/63/553474063.db2.gz	LSWOVGJBGNKUNZ-DLBZAZTESA-N	1	1	357.454	2.434	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000298878896	553484274	/nfs/dbraw/zinc/48/42/74/553484274.db2.gz	ZFVBCKGTBDXNQF-SFHVURJKSA-N	1	1	361.442	2.420	20	30		FEEDMO
CS[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1N1CCCC1	ZINC000299197510	553529216	/nfs/dbraw/zinc/52/92/16/553529216.db2.gz	FBCQLZVFVNLCII-MSOLQXFVSA-N	1	1	358.511	2.398	20	30		FEEDMO
CS[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1N1CCCC1	ZINC000299197510	553529217	/nfs/dbraw/zinc/52/92/17/553529217.db2.gz	FBCQLZVFVNLCII-MSOLQXFVSA-N	1	1	358.511	2.398	20	30		FEEDMO
C[C@@H](O)C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000299204490	553530140	/nfs/dbraw/zinc/53/01/40/553530140.db2.gz	GBALTRMNCUFWPR-DOMZBBRYSA-N	1	1	351.834	2.012	20	30		FEEDMO
C[C@@H](O)C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000299204490	553530141	/nfs/dbraw/zinc/53/01/41/553530141.db2.gz	GBALTRMNCUFWPR-DOMZBBRYSA-N	1	1	351.834	2.012	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000299428193	553561766	/nfs/dbraw/zinc/56/17/66/553561766.db2.gz	HKFQEYDSFZGZFM-RTBURBONSA-N	1	1	356.470	2.343	20	30		FEEDMO
C[C@@H](CCN1CC[NH+](C)CC1)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000302239298	553712946	/nfs/dbraw/zinc/71/29/46/553712946.db2.gz	HKLYCJRVFPEGPT-AWEZNQCLSA-N	1	1	368.441	2.453	20	30		FEEDMO
C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000310823167	553754016	/nfs/dbraw/zinc/75/40/16/553754016.db2.gz	XMMNJRXZQIFNGI-BEFAXECRSA-N	1	1	355.463	2.500	20	30		FEEDMO
C[C@@H]1[C@H](NS(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000310790563	553754038	/nfs/dbraw/zinc/75/40/38/553754038.db2.gz	QQIBVINPJMZYRF-DNVCBOLYSA-N	1	1	355.463	2.500	20	30		FEEDMO
CO[C@H]1C[C@H](C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)N(C(C)=O)C1	ZINC000328619766	553797473	/nfs/dbraw/zinc/79/74/73/553797473.db2.gz	WGXKVASZXKFFAD-FGTMMUONSA-N	1	1	351.491	2.376	20	30		FEEDMO
O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328662758	553804274	/nfs/dbraw/zinc/80/42/74/553804274.db2.gz	ARZZIJIETUPIBO-OKZBNKHCSA-N	1	1	351.491	2.045	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000328665199	553804645	/nfs/dbraw/zinc/80/46/45/553804645.db2.gz	CELHGSNDLHTTEJ-BBWFWOEESA-N	1	1	359.470	2.496	20	30		FEEDMO
CSC[C@H](C)C(=O)N1CCC(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1	ZINC000328709737	553810753	/nfs/dbraw/zinc/81/07/53/553810753.db2.gz	MPAGZOHQEWWGFD-DZGCQCFKSA-N	1	1	353.532	2.417	20	30		FEEDMO
Cc1c(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cnn1C1CCOCC1	ZINC000328713252	553811288	/nfs/dbraw/zinc/81/12/88/553811288.db2.gz	CPXZGYQDRHZNJK-UHFFFAOYSA-N	1	1	372.473	2.250	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(NC(=O)NC2CCCCC2)CC1	ZINC000328729149	553813470	/nfs/dbraw/zinc/81/34/70/553813470.db2.gz	FHKYMBADVCEEJN-QGZVFWFLSA-N	1	1	365.522	2.295	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCc4n[nH]nc4C3)CC2)oc1C	ZINC000328763571	553818589	/nfs/dbraw/zinc/81/85/89/553818589.db2.gz	FVFFDTKTTWCSME-OAHLLOKOSA-N	1	1	372.473	2.383	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000505930583	561685446	/nfs/dbraw/zinc/68/54/46/561685446.db2.gz	PSSBKGAMPCNLKM-SPYBWZPUSA-N	1	1	351.491	2.485	20	30		FEEDMO
CC(=O)N1CCN(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC12CCCCC2	ZINC000328990822	553860346	/nfs/dbraw/zinc/86/03/46/553860346.db2.gz	VFOVPAQWSXURHA-KRWDZBQOSA-N	1	1	364.534	2.499	20	30		FEEDMO
Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC[C@@H]3COc4ccccc4O3)C2)n1	ZINC000329023181	553866259	/nfs/dbraw/zinc/86/62/59/553866259.db2.gz	IQMSJIJCQWFTNT-BPLDGKMQSA-N	1	1	372.425	2.352	20	30		FEEDMO
Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)NC[C@@H]3COc4ccccc4O3)C2)n1	ZINC000329023181	553866261	/nfs/dbraw/zinc/86/62/61/553866261.db2.gz	IQMSJIJCQWFTNT-BPLDGKMQSA-N	1	1	372.425	2.352	20	30		FEEDMO
CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1	ZINC000329104418	553880913	/nfs/dbraw/zinc/88/09/13/553880913.db2.gz	DMFZBQDJIVCVNO-HZPDHXFCSA-N	1	1	372.473	2.340	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)C1	ZINC000329140059	553887806	/nfs/dbraw/zinc/88/78/06/553887806.db2.gz	JEJRCBJPPUFUGA-VYDXJSESSA-N	1	1	350.507	2.152	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C1	ZINC000329181172	553896717	/nfs/dbraw/zinc/89/67/17/553896717.db2.gz	DQIASKOOQWBLHW-UONOGXRCSA-N	1	1	364.877	2.433	20	30		FEEDMO
C[C@@H]1COCC[C@H]1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C	ZINC000329197023	553900640	/nfs/dbraw/zinc/90/06/40/553900640.db2.gz	TZPGQOSOYVCWFI-KYHPRHEASA-N	1	1	363.506	2.074	20	30		FEEDMO
O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCOC[C@@H]1[C@@H]1CCCO1	ZINC000329271730	553914874	/nfs/dbraw/zinc/91/48/74/553914874.db2.gz	JKUJEGLDTCGWMO-AQNXPRMDSA-N	1	1	373.497	2.445	20	30		FEEDMO
C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)ccc1Cl	ZINC000506613917	561703802	/nfs/dbraw/zinc/70/38/02/561703802.db2.gz	KCXLQORSRYQYFE-UHFFFAOYSA-N	1	1	366.824	2.194	20	30		FEEDMO
CN1C[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCC1=O	ZINC000329460891	553951218	/nfs/dbraw/zinc/95/12/18/553951218.db2.gz	SEFBGFOUBSVERA-MSOLQXFVSA-N	1	1	358.486	2.166	20	30		FEEDMO
O=C(NCC[NH+]1CCSCC1)[C@@H]1CSCN1C(=O)C1CCCC1	ZINC000329467433	553951878	/nfs/dbraw/zinc/95/18/78/553951878.db2.gz	WOOKTRQFKOAXAW-AWEZNQCLSA-N	1	1	357.545	2.083	20	30		FEEDMO
C[C@@H](NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCOC1	ZINC000329496376	553957717	/nfs/dbraw/zinc/95/77/17/553957717.db2.gz	IZAURYZPEVQARY-ILOCAZANSA-N	1	1	353.507	2.289	20	30		FEEDMO
C[C@@H](NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCOC1	ZINC000329496376	553957718	/nfs/dbraw/zinc/95/77/18/553957718.db2.gz	IZAURYZPEVQARY-ILOCAZANSA-N	1	1	353.507	2.289	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1nc2c(s1)CCCC2(C)C	ZINC000329590965	553973040	/nfs/dbraw/zinc/97/30/40/553973040.db2.gz	TZMCUONDGTVDQN-LBPRGKRZSA-N	1	1	351.520	2.329	20	30		FEEDMO
CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCSCC2)C1	ZINC000329591224	553973225	/nfs/dbraw/zinc/97/32/25/553973225.db2.gz	ZVGNOCXBFYTILQ-JSGCOSHPSA-N	1	1	365.503	2.161	20	30		FEEDMO
CCS(=O)(=O)N1CCC[C@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1	ZINC000329636391	553980232	/nfs/dbraw/zinc/98/02/32/553980232.db2.gz	VCGIUNXQVALYKQ-HNSVSWJLSA-N	1	1	357.520	2.020	20	30		FEEDMO
C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CCCC1)C[NH+]1CCOCC1	ZINC000329652529	553982818	/nfs/dbraw/zinc/98/28/18/553982818.db2.gz	DKESBXIQDILUER-WBVHZDCISA-N	1	1	351.491	2.092	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C[C@@H]1C	ZINC000329693973	553990665	/nfs/dbraw/zinc/99/06/65/553990665.db2.gz	CNFMOGDMPXKBQT-FMHYQEOESA-N	1	1	365.478	2.271	20	30		FEEDMO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCCN2c3ccccc3C[C@H]2C1	ZINC000329770274	554003069	/nfs/dbraw/zinc/00/30/69/554003069.db2.gz	FVUWHZUUIOPKIQ-QAPCUYQASA-N	1	1	370.497	2.089	20	30		FEEDMO
CCC1(CC)C[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCS1	ZINC000329773804	554003350	/nfs/dbraw/zinc/00/33/50/554003350.db2.gz	LSDORRPASWIZAZ-QGZVFWFLSA-N	1	1	366.575	2.286	20	30		FEEDMO
CC(C)N1C[C@@H](NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1=O	ZINC000329809562	554009825	/nfs/dbraw/zinc/00/98/25/554009825.db2.gz	QCJQVTDDSXYVRU-NJAFHUGGSA-N	1	1	358.486	2.162	20	30		FEEDMO
CCN1C(=O)CC[C@H](C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[C@@H]1c1cnn(C)c1	ZINC000329885220	554024672	/nfs/dbraw/zinc/02/46/72/554024672.db2.gz	UHBUWNJHKAAYMT-PZFZOXMESA-N	1	1	373.501	2.301	20	30		FEEDMO
Cn1nc(CC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c2ccccc2c1=O	ZINC000329895540	554026039	/nfs/dbraw/zinc/02/60/39/554026039.db2.gz	KMNZBPPKLNWMJS-OAHLLOKOSA-N	1	1	354.454	2.449	20	30		FEEDMO
Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@H](C)C(=O)Nc2nccs2)o1	ZINC000329941895	554036280	/nfs/dbraw/zinc/03/62/80/554036280.db2.gz	GXPRWPWKICACBE-USWWRNFRSA-N	1	1	368.438	2.360	20	30		FEEDMO
Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@H+](C)[C@H](C)C(=O)Nc2nccs2)o1	ZINC000329941895	554036282	/nfs/dbraw/zinc/03/62/82/554036282.db2.gz	GXPRWPWKICACBE-USWWRNFRSA-N	1	1	368.438	2.360	20	30		FEEDMO
CCN1C(=O)CC[C@H](C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)[C@H]1c1cnn(C)c1	ZINC000329965014	554040328	/nfs/dbraw/zinc/04/03/28/554040328.db2.gz	UERSEVSTDSSAJZ-DKSSEZFCSA-N	1	1	373.501	2.327	20	30		FEEDMO
CCC1(CC)CCC[N@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1	ZINC000329974755	554042099	/nfs/dbraw/zinc/04/20/99/554042099.db2.gz	ZGZSQDQDKWMIJW-AWEZNQCLSA-N	1	1	373.519	2.336	20	30		FEEDMO
CCC1(CC)CCC[N@@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1	ZINC000329974755	554042101	/nfs/dbraw/zinc/04/21/01/554042101.db2.gz	ZGZSQDQDKWMIJW-AWEZNQCLSA-N	1	1	373.519	2.336	20	30		FEEDMO
CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1	ZINC000329992551	554045461	/nfs/dbraw/zinc/04/54/61/554045461.db2.gz	XOZYQEQXUHRGAT-ZYSHUDEJSA-N	1	1	358.486	2.021	20	30		FEEDMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1	ZINC000330018081	554050324	/nfs/dbraw/zinc/05/03/24/554050324.db2.gz	SFGGTZWHMWGTNK-YOEHRIQHSA-N	1	1	369.473	2.047	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H](C)c1nnc2n1CCCC2	ZINC000330021961	554050527	/nfs/dbraw/zinc/05/05/27/554050527.db2.gz	YTIOMWGRZYWIEM-LBPRGKRZSA-N	1	1	368.445	2.216	20	30		FEEDMO
C[N@@H+](CCO)C1CCN(C(=O)NC[C@H]2CCC3(CCCCC3)O2)CC1	ZINC000330080028	554061384	/nfs/dbraw/zinc/06/13/84/554061384.db2.gz	GGYRASMTANWZQO-QGZVFWFLSA-N	1	1	353.507	2.171	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC(c2nnc3n2CCCC3)CC1	ZINC000330091441	554062803	/nfs/dbraw/zinc/06/28/03/554062803.db2.gz	PXSFJNHEKQURIM-RHSMWYFYSA-N	1	1	372.517	2.191	20	30		FEEDMO
Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000330126133	554069467	/nfs/dbraw/zinc/06/94/67/554069467.db2.gz	MFBASHDPLPZPJH-OALUTQOASA-N	1	1	370.497	2.135	20	30		FEEDMO
O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1	ZINC000330169476	554077460	/nfs/dbraw/zinc/07/74/60/554077460.db2.gz	BLRZSIPULCTIPB-JHJVBQTASA-N	1	1	362.396	2.368	20	30		FEEDMO
O=C(c1ccsc1)N1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1	ZINC000330197643	554082906	/nfs/dbraw/zinc/08/29/06/554082906.db2.gz	SCCHQJGFFUXMPS-OAHLLOKOSA-N	1	1	373.482	2.022	20	30		FEEDMO
CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000330206341	554085141	/nfs/dbraw/zinc/08/51/41/554085141.db2.gz	DEMNUKRZTGSRBK-BQFCYCMXSA-N	1	1	353.507	2.147	20	30		FEEDMO
CC[NH+]1CCN(C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1	ZINC000330241513	554091559	/nfs/dbraw/zinc/09/15/59/554091559.db2.gz	IZDVJJDIHOGNBW-UYAOXDASSA-N	1	1	363.477	2.451	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)C1	ZINC000330242034	554091645	/nfs/dbraw/zinc/09/16/45/554091645.db2.gz	FYQHVLWWFDSFFZ-IRXDYDNUSA-N	1	1	353.507	2.292	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC4(C3)CCCC4)cc2)CC1	ZINC000330254857	554094085	/nfs/dbraw/zinc/09/40/85/554094085.db2.gz	PKKPZKFVVCSKNX-UHFFFAOYSA-N	1	1	370.497	2.364	20	30		FEEDMO
CC[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C1CCOCC1	ZINC000330271560	554097372	/nfs/dbraw/zinc/09/73/72/554097372.db2.gz	WCLVECOAPFNDOM-QAPCUYQASA-N	1	1	353.507	2.291	20	30		FEEDMO
Cc1c([C@H]2OCC[C@@H]2NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cnn1C	ZINC000330327738	554105910	/nfs/dbraw/zinc/10/59/10/554105910.db2.gz	LDNRHABMANBZBT-KJWYOANISA-N	1	1	363.506	2.183	20	30		FEEDMO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000330387984	554114834	/nfs/dbraw/zinc/11/48/34/554114834.db2.gz	NBXXUJDUAJOVGU-FMKPAKJESA-N	1	1	370.544	2.057	20	30		FEEDMO
CC(=O)c1c(C)[nH]c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1C(C)C	ZINC000330403714	554117327	/nfs/dbraw/zinc/11/73/27/554117327.db2.gz	WFQIDRDFTMLGQV-UHFFFAOYSA-N	1	1	362.474	2.118	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1	ZINC000330409227	554117888	/nfs/dbraw/zinc/11/78/88/554117888.db2.gz	JYTRTDQFFOZWSC-FUHWJXTLSA-N	1	1	364.515	2.109	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ncc(C#N)cc1Cl	ZINC000330419651	554119168	/nfs/dbraw/zinc/11/91/68/554119168.db2.gz	XDXWTPAOPPAHRO-UHFFFAOYSA-N	1	1	350.850	2.037	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000507930277	561746262	/nfs/dbraw/zinc/74/62/62/561746262.db2.gz	WVMDKILJSCLDBL-MQVJKMGUSA-N	1	1	361.511	2.394	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1	ZINC000330478072	554126698	/nfs/dbraw/zinc/12/66/98/554126698.db2.gz	NFNGZOCJKABVLW-HRCADAONSA-N	1	1	369.506	2.063	20	30		FEEDMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC=C(C(C)(C)C)CC2)CC1	ZINC000330485351	554127748	/nfs/dbraw/zinc/12/77/48/554127748.db2.gz	AEASIMDLBBENDM-UHFFFAOYSA-N	1	1	350.507	2.131	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1C(F)F	ZINC000330501325	554130580	/nfs/dbraw/zinc/13/05/80/554130580.db2.gz	UOUAIAYGVRDUDB-UHFFFAOYSA-N	1	1	373.448	2.411	20	30		FEEDMO
C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1	ZINC000330541250	554135451	/nfs/dbraw/zinc/13/54/51/554135451.db2.gz	SKCGLNYPJSJBGL-QAPCUYQASA-N	1	1	359.470	2.203	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)[C@H](C)C1	ZINC000330541960	554135672	/nfs/dbraw/zinc/13/56/72/554135672.db2.gz	WTFKNCWAJQKVNR-GHMZBOCLSA-N	1	1	361.364	2.360	20	30		FEEDMO
CC(=O)Nc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(Cl)c1	ZINC000330553942	554137273	/nfs/dbraw/zinc/13/72/73/554137273.db2.gz	USKIQFXMJHQPED-NWDGAFQWSA-N	1	1	368.865	2.231	20	30		FEEDMO
COc1cc(SC)ccc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C	ZINC000330569556	554139515	/nfs/dbraw/zinc/13/95/15/554139515.db2.gz	NZHMRGOBJHETSI-QWHCGFSZSA-N	1	1	353.488	2.350	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)Nc2c(C)nn(CCOC)c2C)C[C@H]1C	ZINC000330641989	554149827	/nfs/dbraw/zinc/14/98/27/554149827.db2.gz	DEUFFFIKMKXWSF-CJNGLKHVSA-N	1	1	351.495	2.496	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1	ZINC000330663398	554153617	/nfs/dbraw/zinc/15/36/17/554153617.db2.gz	DZQJTAIWIGGMNG-ZDUSSCGKSA-N	1	1	357.476	2.017	20	30		FEEDMO
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C	ZINC000330883359	554182814	/nfs/dbraw/zinc/18/28/14/554182814.db2.gz	JTPUPJCJALZPRT-UONOGXRCSA-N	1	1	362.474	2.357	20	30		FEEDMO
COC1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CCC(C)CC1	ZINC000331055977	554207478	/nfs/dbraw/zinc/20/74/78/554207478.db2.gz	LBCNEPGDKGFCMX-KOHRHEQBSA-N	1	1	355.523	2.273	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000331191452	554228229	/nfs/dbraw/zinc/22/82/29/554228229.db2.gz	LHLVFKBKECZZIG-GFCCVEGCSA-N	1	1	372.288	2.083	20	30		FEEDMO
CC(C)COc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cn1	ZINC000331202916	554230129	/nfs/dbraw/zinc/23/01/29/554230129.db2.gz	XRJSCKFAKKURJZ-GJZGRUSLSA-N	1	1	350.463	2.049	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2S(C)(=O)=O)C[C@@H]1C	ZINC000331274623	554240084	/nfs/dbraw/zinc/24/00/84/554240084.db2.gz	HXJJUJXNLPWFJP-UONOGXRCSA-N	1	1	353.488	2.440	20	30		FEEDMO
CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2c(C)cc(C)nc2C)CC1	ZINC000331329994	554247845	/nfs/dbraw/zinc/24/78/45/554247845.db2.gz	OGKYPLXNRZRQOH-UHFFFAOYSA-N	1	1	361.490	2.323	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](CNC(N)=O)C2)C1	ZINC000331335907	554248452	/nfs/dbraw/zinc/24/84/52/554248452.db2.gz	UUXGXLDYMZBCSV-HZPDHXFCSA-N	1	1	353.511	2.063	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000331430484	554263196	/nfs/dbraw/zinc/26/31/96/554263196.db2.gz	CDEOQBYCEJZEMU-BONVTDFDSA-N	1	1	373.400	2.338	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000509204562	561789899	/nfs/dbraw/zinc/78/98/99/561789899.db2.gz	XCYRHKPPNHYFRM-BBWFWOEESA-N	1	1	364.515	2.060	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000509204562	561789900	/nfs/dbraw/zinc/78/99/00/561789900.db2.gz	XCYRHKPPNHYFRM-BBWFWOEESA-N	1	1	364.515	2.060	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1	ZINC000332797797	554518268	/nfs/dbraw/zinc/51/82/68/554518268.db2.gz	WSZJHUFMDBZTBG-DZGCQCFKSA-N	1	1	357.458	2.467	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1	ZINC000332797797	554518271	/nfs/dbraw/zinc/51/82/71/554518271.db2.gz	WSZJHUFMDBZTBG-DZGCQCFKSA-N	1	1	357.458	2.467	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N=c1[nH]n(C)cc1C#N	ZINC000610563518	554530054	/nfs/dbraw/zinc/53/00/54/554530054.db2.gz	HAPKEEQJPZGUBR-WMLDXEAASA-N	1	1	352.442	2.324	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N=c1[nH]n(C)cc1C#N	ZINC000610563518	554530056	/nfs/dbraw/zinc/53/00/56/554530056.db2.gz	HAPKEEQJPZGUBR-WMLDXEAASA-N	1	1	352.442	2.324	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1	ZINC000510596621	561840165	/nfs/dbraw/zinc/84/01/65/561840165.db2.gz	CNCUONAJUQPMJY-HKUYNNGSSA-N	1	1	357.498	2.281	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1	ZINC000510596621	561840167	/nfs/dbraw/zinc/84/01/67/561840167.db2.gz	CNCUONAJUQPMJY-HKUYNNGSSA-N	1	1	357.498	2.281	20	30		FEEDMO
Cc1oc(C#N)cc1-c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1	ZINC000349941139	554750687	/nfs/dbraw/zinc/75/06/87/554750687.db2.gz	WADMDHJVNCDRMZ-UHFFFAOYSA-N	1	1	350.382	2.324	20	30		FEEDMO
CN1CC[N@H+](C)C[C@@H]1c1noc(-c2cc(-c3cccc(C#N)c3)no2)n1	ZINC000350055766	554757576	/nfs/dbraw/zinc/75/75/76/554757576.db2.gz	ZHNGRVLFKYQFRL-OAHLLOKOSA-N	1	1	350.382	2.182	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1c1noc(-c2cc(-c3cccc(C#N)c3)no2)n1	ZINC000350055766	554757578	/nfs/dbraw/zinc/75/75/78/554757578.db2.gz	ZHNGRVLFKYQFRL-OAHLLOKOSA-N	1	1	350.382	2.182	20	30		FEEDMO
N#Cc1ccc(-c2nc(-c3ccccc3C[N@@H+]3CCC[C@H]3C(N)=O)no2)o1	ZINC000350538108	554796288	/nfs/dbraw/zinc/79/62/88/554796288.db2.gz	WFZHPQHCWABZDG-HNNXBMFYSA-N	1	1	363.377	2.318	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1	ZINC000360145817	554864863	/nfs/dbraw/zinc/86/48/63/554864863.db2.gz	AEUYPTSBYYBDQO-CVEARBPZSA-N	1	1	351.491	2.400	20	30		FEEDMO
C[C@](C#N)(NC(=O)CN1CCC[N@H+](Cc2ccccc2F)CC1)C1CC1	ZINC000360157320	554865278	/nfs/dbraw/zinc/86/52/78/554865278.db2.gz	HPPGYJDAZSAUSK-HXUWFJFHSA-N	1	1	358.461	2.142	20	30		FEEDMO
C[C@](C#N)(NC(=O)CN1CCC[N@@H+](Cc2ccccc2F)CC1)C1CC1	ZINC000360157320	554865280	/nfs/dbraw/zinc/86/52/80/554865280.db2.gz	HPPGYJDAZSAUSK-HXUWFJFHSA-N	1	1	358.461	2.142	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1	ZINC000360187114	554866631	/nfs/dbraw/zinc/86/66/31/554866631.db2.gz	JNXRSPYIFCZJDD-QRWLVFNGSA-N	1	1	368.481	2.442	20	30		FEEDMO
C=CCNC(=O)C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000360449339	554875592	/nfs/dbraw/zinc/87/55/92/554875592.db2.gz	QNZWWYGOXZKNSG-UHFFFAOYSA-N	1	1	372.387	2.257	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1	ZINC000360827837	554891303	/nfs/dbraw/zinc/89/13/03/554891303.db2.gz	FPEDPBQUMBTCTC-GOEBONIOSA-N	1	1	372.494	2.231	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1	ZINC000360827837	554891304	/nfs/dbraw/zinc/89/13/04/554891304.db2.gz	FPEDPBQUMBTCTC-GOEBONIOSA-N	1	1	372.494	2.231	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)C2)CC1	ZINC000360853154	554892522	/nfs/dbraw/zinc/89/25/22/554892522.db2.gz	XMHAXDUWPQXPPU-QUCCMNQESA-N	1	1	369.513	2.499	20	30		FEEDMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)C2)CC1	ZINC000360853154	554892525	/nfs/dbraw/zinc/89/25/25/554892525.db2.gz	XMHAXDUWPQXPPU-QUCCMNQESA-N	1	1	369.513	2.499	20	30		FEEDMO
CC(C)[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)CC1	ZINC000361795641	554935115	/nfs/dbraw/zinc/93/51/15/554935115.db2.gz	FCRWRYKJDHUPEU-UHFFFAOYSA-N	1	1	357.458	2.461	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1	ZINC000362703290	554981810	/nfs/dbraw/zinc/98/18/10/554981810.db2.gz	PYRIJDXNMAHCTJ-NQIIRXRSSA-N	1	1	356.514	2.285	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1	ZINC000362703290	554981812	/nfs/dbraw/zinc/98/18/12/554981812.db2.gz	PYRIJDXNMAHCTJ-NQIIRXRSSA-N	1	1	356.514	2.285	20	30		FEEDMO
C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000362703288	554981958	/nfs/dbraw/zinc/98/19/58/554981958.db2.gz	PYRIJDXNMAHCTJ-GHTZIAJQSA-N	1	1	356.514	2.285	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000362703288	554981959	/nfs/dbraw/zinc/98/19/59/554981959.db2.gz	PYRIJDXNMAHCTJ-GHTZIAJQSA-N	1	1	356.514	2.285	20	30		FEEDMO
C#CCOc1ccc(F)cc1NC(=O)N1CCC[N@H+](CCCOC)CC1	ZINC000362887809	554996300	/nfs/dbraw/zinc/99/63/00/554996300.db2.gz	CZCLJKCRCZKSRW-UHFFFAOYSA-N	1	1	363.433	2.414	20	30		FEEDMO
C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)n1cnc(C#N)n1	ZINC000511743370	561879440	/nfs/dbraw/zinc/87/94/40/561879440.db2.gz	MZIPWABGBKRMJW-WBVHZDCISA-N	1	1	366.469	2.128	20	30		FEEDMO
C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C[NH+]1CCOCC1	ZINC000363293013	555072376	/nfs/dbraw/zinc/07/23/76/555072376.db2.gz	SEENHRXCWQPRFB-YZGWKJHDSA-N	1	1	370.497	2.436	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1	ZINC000363316772	555077097	/nfs/dbraw/zinc/07/70/97/555077097.db2.gz	PPDJMVVCUYXAOF-VAMGGRTRSA-N	1	1	352.482	2.270	20	30		FEEDMO
CC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)N(C)C[C@H](C)C#N)c2C)C1	ZINC000363397378	555095334	/nfs/dbraw/zinc/09/53/34/555095334.db2.gz	NFSOFTPPCLSQLL-CQSZACIVSA-N	1	1	366.469	2.185	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000363425716	555102586	/nfs/dbraw/zinc/10/25/86/555102586.db2.gz	GIEWGFVWAYFDBU-OAQYLSRUSA-N	1	1	362.477	2.381	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(OC)cc1	ZINC000363785652	555186018	/nfs/dbraw/zinc/18/60/18/555186018.db2.gz	ZMCYNQRELUSNMG-SCTDSRPQSA-N	1	1	361.486	2.314	20	30		FEEDMO
COC(=O)c1cn([C@H]2CCC[N@H+](CC#Cc3cccc(Cl)c3)C2)nn1	ZINC000364008380	555232644	/nfs/dbraw/zinc/23/26/44/555232644.db2.gz	ZAMHSSLIRXJRRW-INIZCTEOSA-N	1	1	358.829	2.407	20	30		FEEDMO
COC(=O)c1cn([C@H]2CCC[N@@H+](CC#Cc3cccc(Cl)c3)C2)nn1	ZINC000364008380	555232645	/nfs/dbraw/zinc/23/26/45/555232645.db2.gz	ZAMHSSLIRXJRRW-INIZCTEOSA-N	1	1	358.829	2.407	20	30		FEEDMO
COc1cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)ccc1OCc1cccc(C#N)c1	ZINC000512214866	561896228	/nfs/dbraw/zinc/89/62/28/561896228.db2.gz	XIPHYMDDKYTSNX-RTBURBONSA-N	1	1	368.433	2.337	20	30		FEEDMO
C=CCN(C(=O)NCc1nc(C)no1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364282358	555283967	/nfs/dbraw/zinc/28/39/67/555283967.db2.gz	WLPITSUXROHUHM-QGZVFWFLSA-N	1	1	355.442	2.350	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)COc2ccc(C#N)cc2)[C@@H]1c1cccnc1	ZINC000364569208	555340733	/nfs/dbraw/zinc/34/07/33/555340733.db2.gz	LBAJWSJYGZYXAX-PXNSSMCTSA-N	1	1	350.422	2.141	20	30		FEEDMO
C[N@@H+](CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CCCC1	ZINC000364722081	555385676	/nfs/dbraw/zinc/38/56/76/555385676.db2.gz	JHKHNKWKKLMSQH-IBGZPJMESA-N	1	1	368.481	2.040	20	30		FEEDMO
Cc1csc(N2CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)CC2)n1	ZINC000365085532	555481619	/nfs/dbraw/zinc/48/16/19/555481619.db2.gz	SUYWMILMKUCPHS-UHFFFAOYSA-N	1	1	369.494	2.152	20	30		FEEDMO
Cc1csc(N2CCC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)CC2)n1	ZINC000365085532	555481620	/nfs/dbraw/zinc/48/16/20/555481620.db2.gz	SUYWMILMKUCPHS-UHFFFAOYSA-N	1	1	369.494	2.152	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@](O)(c2ccccc2)CC1	ZINC000365978093	555716294	/nfs/dbraw/zinc/71/62/94/555716294.db2.gz	KZNVWSGIWMSKCE-HXUWFJFHSA-N	1	1	354.454	2.016	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)CCC(C)(C)C#N)[C@H]1c1ccc(F)cc1	ZINC000367668500	556109528	/nfs/dbraw/zinc/10/95/28/556109528.db2.gz	IAXPLBSJZSDEOZ-HZPDHXFCSA-N	1	1	353.463	2.430	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)CCC(C)(C)C#N)[C@H]1c1ccc(F)cc1	ZINC000367668500	556109530	/nfs/dbraw/zinc/10/95/30/556109530.db2.gz	IAXPLBSJZSDEOZ-HZPDHXFCSA-N	1	1	353.463	2.430	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1	ZINC000367744621	556128500	/nfs/dbraw/zinc/12/85/00/556128500.db2.gz	DEQYQFVIKURMLT-INIZCTEOSA-N	1	1	359.451	2.342	20	30		FEEDMO
C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C	ZINC000514894128	561985275	/nfs/dbraw/zinc/98/52/75/561985275.db2.gz	UWFYWJVLWRIOLT-LSDHHAIUSA-N	1	1	362.522	2.301	20	30		FEEDMO
N#CCN1CCC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1	ZINC000515030032	561992795	/nfs/dbraw/zinc/99/27/95/561992795.db2.gz	UHHTYTAHTMHKFG-ZDUSSCGKSA-N	1	1	374.395	2.170	20	30		FEEDMO
C=CCNc1ncc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1	ZINC000622143599	556231123	/nfs/dbraw/zinc/23/11/23/556231123.db2.gz	BRVQBTFPDINMOH-MRXNPFEDSA-N	1	1	372.494	2.238	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C	ZINC000368417937	556303220	/nfs/dbraw/zinc/30/32/20/556303220.db2.gz	VFYAHFORLTUCHT-YTQUADARSA-N	1	1	373.497	2.425	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1	ZINC000368803525	556417416	/nfs/dbraw/zinc/41/74/16/556417416.db2.gz	CZUALPYAGOFSGD-JXFKEZNVSA-N	1	1	362.518	2.202	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1	ZINC000368803525	556417418	/nfs/dbraw/zinc/41/74/18/556417418.db2.gz	CZUALPYAGOFSGD-JXFKEZNVSA-N	1	1	362.518	2.202	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CC[C@@H](n2cncn2)C1)c1cccc(Cl)c1	ZINC000368883033	556438321	/nfs/dbraw/zinc/43/83/21/556438321.db2.gz	VFPZBJXNMPHKCI-MRXNPFEDSA-N	1	1	358.833	2.125	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CC[C@@H](n2cncn2)C1)c1cccc(Cl)c1	ZINC000368883033	556438325	/nfs/dbraw/zinc/43/83/25/556438325.db2.gz	VFPZBJXNMPHKCI-MRXNPFEDSA-N	1	1	358.833	2.125	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c(F)c1	ZINC000368884663	556438585	/nfs/dbraw/zinc/43/85/85/556438585.db2.gz	VSDKANBUGWCIRN-SJORKVTESA-N	1	1	371.460	2.156	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1cccc(C#N)c1	ZINC000515694924	562019674	/nfs/dbraw/zinc/01/96/74/562019674.db2.gz	OSVYAWKEPTWLOD-IBGZPJMESA-N	1	1	370.497	2.143	20	30		FEEDMO
COc1ccc(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OCCCC#N	ZINC000369037119	556484643	/nfs/dbraw/zinc/48/46/43/556484643.db2.gz	VEFFQLLLJRLZJY-MSOLQXFVSA-N	1	1	359.470	2.331	20	30		FEEDMO
COc1ccc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)cc1OCCCC#N	ZINC000369037119	556484645	/nfs/dbraw/zinc/48/46/45/556484645.db2.gz	VEFFQLLLJRLZJY-MSOLQXFVSA-N	1	1	359.470	2.331	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCCc3cccnc32)CC1	ZINC000369049026	556488599	/nfs/dbraw/zinc/48/85/99/556488599.db2.gz	RVQXMQDSNQOECU-MOPGFXCFSA-N	1	1	369.513	2.083	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCc3cccnc32)CC1	ZINC000369049026	556488601	/nfs/dbraw/zinc/48/86/01/556488601.db2.gz	RVQXMQDSNQOECU-MOPGFXCFSA-N	1	1	369.513	2.083	20	30		FEEDMO
COc1ccc([C@@H]2[C@H](CNS(=O)(=O)CCCC#N)CCC[N@H+]2C)cc1	ZINC000369341719	556574527	/nfs/dbraw/zinc/57/45/27/556574527.db2.gz	GBUUUQUHTLICRB-FUHWJXTLSA-N	1	1	365.499	2.301	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000532320655	562473877	/nfs/dbraw/zinc/47/38/77/562473877.db2.gz	WKCAVJHMNVCDJP-CYBMUJFWSA-N	1	1	369.437	2.189	20	30		FEEDMO
Cn1cc([C@@H]([NH2+]CC(=O)NCc2cccc(C#N)c2)c2ccccc2)cn1	ZINC000369908346	556727840	/nfs/dbraw/zinc/72/78/40/556727840.db2.gz	LLTFHSIPNCDLOD-NRFANRHFSA-N	1	1	359.433	2.287	20	30		FEEDMO
N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1	ZINC000370440288	556873697	/nfs/dbraw/zinc/87/36/97/556873697.db2.gz	WVDVRRNAKLHDSX-SQWLQELKSA-N	1	1	365.886	2.316	20	30		FEEDMO
N#C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C1CC1	ZINC000370965922	557030024	/nfs/dbraw/zinc/03/00/24/557030024.db2.gz	BKLRCDMPWJKQOO-ICSRJNTNSA-N	1	1	352.482	2.097	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1	ZINC000371337885	557151659	/nfs/dbraw/zinc/15/16/59/557151659.db2.gz	ZZTRPQQQPJHIQM-LJHODMEESA-N	1	1	367.453	2.207	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1	ZINC000371337885	557151661	/nfs/dbraw/zinc/15/16/61/557151661.db2.gz	ZZTRPQQQPJHIQM-LJHODMEESA-N	1	1	367.453	2.207	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1	ZINC000371337883	557151668	/nfs/dbraw/zinc/15/16/68/557151668.db2.gz	ZZTRPQQQPJHIQM-BJZITVGISA-N	1	1	367.453	2.207	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1	ZINC000371337883	557151670	/nfs/dbraw/zinc/15/16/70/557151670.db2.gz	ZZTRPQQQPJHIQM-BJZITVGISA-N	1	1	367.453	2.207	20	30		FEEDMO
CC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)N(C)[C@@H](C)CC#N)c2C)C1	ZINC000371585149	557229817	/nfs/dbraw/zinc/22/98/17/557229817.db2.gz	GUIWXWUSVLCOPL-AWEZNQCLSA-N	1	1	366.469	2.328	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000518381152	562110077	/nfs/dbraw/zinc/11/00/77/562110077.db2.gz	ISPOTSDUCYXERM-SFHVURJKSA-N	1	1	357.458	2.068	20	30		FEEDMO
C#CCCCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](CC)C3)c1C	ZINC000371926687	557330422	/nfs/dbraw/zinc/33/04/22/557330422.db2.gz	BBVGWVSKPHGZBA-UHFFFAOYSA-N	1	1	365.481	2.487	20	30		FEEDMO
CC(C)NC(=O)CN1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000372392242	557459368	/nfs/dbraw/zinc/45/93/68/557459368.db2.gz	UEEFAPVTDMGHNZ-UHFFFAOYSA-N	1	1	371.529	2.069	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNC(=O)[C@]2(C#N)CCc3ccccc3C2)CCCO1	ZINC000372894315	557583800	/nfs/dbraw/zinc/58/38/00/557583800.db2.gz	ZCDPBVVPUTZLGX-DYESRHJHSA-N	1	1	355.482	2.302	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC12CCC2	ZINC000373182273	557645987	/nfs/dbraw/zinc/64/59/87/557645987.db2.gz	HKCYJLIAJLSUMV-HNNXBMFYSA-N	1	1	352.394	2.383	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC12CCC2	ZINC000373182273	557645989	/nfs/dbraw/zinc/64/59/89/557645989.db2.gz	HKCYJLIAJLSUMV-HNNXBMFYSA-N	1	1	352.394	2.383	20	30		FEEDMO
COCC[N@H+](CCc1ccccc1)CC(=O)NCc1cccc(C#N)c1	ZINC000519918527	562147835	/nfs/dbraw/zinc/14/78/35/562147835.db2.gz	WDYXCTNBSINEQQ-UHFFFAOYSA-N	1	1	351.450	2.366	20	30		FEEDMO
COCC[N@@H+](CCc1ccccc1)CC(=O)NCc1cccc(C#N)c1	ZINC000519918527	562147836	/nfs/dbraw/zinc/14/78/36/562147836.db2.gz	WDYXCTNBSINEQQ-UHFFFAOYSA-N	1	1	351.450	2.366	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH+]1CCC(Oc2cnc3ccccc3n2)CC1	ZINC000373293123	557666838	/nfs/dbraw/zinc/66/68/38/557666838.db2.gz	RPRSVVSGCOBUDR-UHFFFAOYSA-N	1	1	367.453	2.235	20	30		FEEDMO
COC(=O)C1CCN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)CC1	ZINC000520173487	562149807	/nfs/dbraw/zinc/14/98/07/562149807.db2.gz	MWWFOANVONFABN-UHFFFAOYSA-N	1	1	371.481	2.428	20	30		FEEDMO
N#C[C@@H]1COCCN1C(=O)[C@H]1CC[N@@H+](C[C@H]2CCCc3ccccc32)C1	ZINC000373506643	557707224	/nfs/dbraw/zinc/70/72/24/557707224.db2.gz	MVINSZBNPKMXRT-CEXWTWQISA-N	1	1	353.466	2.179	20	30		FEEDMO
N#C[C@@H]1COCCN1C(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCCc3ccccc32)C1	ZINC000373506646	557707375	/nfs/dbraw/zinc/70/73/75/557707375.db2.gz	MVINSZBNPKMXRT-IPMKNSEASA-N	1	1	353.466	2.179	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12	ZINC000373587063	557723814	/nfs/dbraw/zinc/72/38/14/557723814.db2.gz	VSDMTRFGVJKALQ-HXUWFJFHSA-N	1	1	352.438	2.164	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12	ZINC000373587063	557723817	/nfs/dbraw/zinc/72/38/17/557723817.db2.gz	VSDMTRFGVJKALQ-HXUWFJFHSA-N	1	1	352.438	2.164	20	30		FEEDMO
CCO[C@H](C)c1noc(CN2CCC[N@H+](Cc3cc(C#N)n(C)c3)CC2)n1	ZINC000373820907	557766752	/nfs/dbraw/zinc/76/67/52/557766752.db2.gz	CUUAXUUNKYSNRF-OAHLLOKOSA-N	1	1	372.473	2.085	20	30		FEEDMO
CCO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3cc(C#N)n(C)c3)CC2)n1	ZINC000373820907	557766753	/nfs/dbraw/zinc/76/67/53/557766753.db2.gz	CUUAXUUNKYSNRF-OAHLLOKOSA-N	1	1	372.473	2.085	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000374280385	557857166	/nfs/dbraw/zinc/85/71/66/557857166.db2.gz	OGCDMUQCCWVYKM-JOCHJYFZSA-N	1	1	353.510	2.360	20	30		FEEDMO
C[N@H+](C[C@@H]1CC12CCN(CC(=O)NCc1cccc(C#N)c1)CC2)C1CC1	ZINC000374284491	557858030	/nfs/dbraw/zinc/85/80/30/557858030.db2.gz	AAZMRCIFUQLBLB-IBGZPJMESA-N	1	1	366.509	2.371	20	30		FEEDMO
C[N@@H+](C[C@@H]1CC12CCN(CC(=O)NCc1cccc(C#N)c1)CC2)C1CC1	ZINC000374284491	557858032	/nfs/dbraw/zinc/85/80/32/557858032.db2.gz	AAZMRCIFUQLBLB-IBGZPJMESA-N	1	1	366.509	2.371	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000374587956	557903234	/nfs/dbraw/zinc/90/32/34/557903234.db2.gz	YKVTVWCOLWYRDP-BRWVUGGUSA-N	1	1	356.536	2.052	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1COc1ccc(F)cc1	ZINC000374619842	557907780	/nfs/dbraw/zinc/90/77/80/557907780.db2.gz	LBSJRTKBBOYUGI-QGZVFWFLSA-N	1	1	358.417	2.325	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1COc1ccc(F)cc1	ZINC000374619842	557907782	/nfs/dbraw/zinc/90/77/82/557907782.db2.gz	LBSJRTKBBOYUGI-QGZVFWFLSA-N	1	1	358.417	2.325	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C[C@@H]21	ZINC000375053974	557970729	/nfs/dbraw/zinc/97/07/29/557970729.db2.gz	JHMIEICGGFVPIB-HOCLYGCPSA-N	1	1	372.494	2.183	20	30		FEEDMO
CN1CCC[C@@]2(CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)C1=O	ZINC000375254365	557999238	/nfs/dbraw/zinc/99/92/38/557999238.db2.gz	YRWALYWPPUKHHX-SFHVURJKSA-N	1	1	360.845	2.094	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)NCc2c[nH+]c3n2CCCC3)c1	ZINC000375329250	558009994	/nfs/dbraw/zinc/00/99/94/558009994.db2.gz	YNDGQIZRKVYZFK-UHFFFAOYSA-N	1	1	368.437	2.429	20	30		FEEDMO
C=CCN(C(=O)[C@H]1CCc2n[nH]nc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375444867	558028340	/nfs/dbraw/zinc/02/83/40/558028340.db2.gz	ZZWVIVIZBYEKLF-ZWKOTPCHSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@H]1CCc2[nH]nnc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000375444867	558028342	/nfs/dbraw/zinc/02/83/42/558028342.db2.gz	ZZWVIVIZBYEKLF-ZWKOTPCHSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@H]1CCc2[nH]nnc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375444867	558028344	/nfs/dbraw/zinc/02/83/44/558028344.db2.gz	ZZWVIVIZBYEKLF-ZWKOTPCHSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@H]1CCc2nn[nH]c2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000375444867	558028346	/nfs/dbraw/zinc/02/83/46/558028346.db2.gz	ZZWVIVIZBYEKLF-ZWKOTPCHSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@H]1CCc2nn[nH]c2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375444867	558028347	/nfs/dbraw/zinc/02/83/47/558028347.db2.gz	ZZWVIVIZBYEKLF-ZWKOTPCHSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccnc(COC)n2)C1	ZINC000375759863	558078444	/nfs/dbraw/zinc/07/84/44/558078444.db2.gz	PKNMZIKBYZEHLT-DLBZAZTESA-N	1	1	358.486	2.392	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](OCc2ccccc2F)C1	ZINC000375920526	558100045	/nfs/dbraw/zinc/10/00/45/558100045.db2.gz	RVZIADPNCSVEBU-SFHVURJKSA-N	1	1	372.444	2.463	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](OCc2ccccc2F)C1	ZINC000375920526	558100047	/nfs/dbraw/zinc/10/00/47/558100047.db2.gz	RVZIADPNCSVEBU-SFHVURJKSA-N	1	1	372.444	2.463	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000376092311	558125990	/nfs/dbraw/zinc/12/59/90/558125990.db2.gz	FPIVVYIEUDGQOH-HZPDHXFCSA-N	1	1	356.470	2.070	20	30		FEEDMO
N#Cc1ncn(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1	ZINC000376122234	558129778	/nfs/dbraw/zinc/12/97/78/558129778.db2.gz	GHWOMCYEVHSMCF-HSALFYBXSA-N	1	1	364.497	2.430	20	30		FEEDMO
N#CC1CCC(CNC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1	ZINC000376388214	558166677	/nfs/dbraw/zinc/16/66/77/558166677.db2.gz	SGONLVCZQYWILM-ZYKFHVCXSA-N	1	1	370.497	2.251	20	30		FEEDMO
N#CCCCOc1cccnc1NC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1	ZINC000376407717	558169494	/nfs/dbraw/zinc/16/94/94/558169494.db2.gz	IVRXLZMONRRSCH-HZPDHXFCSA-N	1	1	373.457	2.139	20	30		FEEDMO
N#CCCCOc1cccnc1NC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1	ZINC000376407717	558169495	/nfs/dbraw/zinc/16/94/95/558169495.db2.gz	IVRXLZMONRRSCH-HZPDHXFCSA-N	1	1	373.457	2.139	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C1=O	ZINC000521822847	562184040	/nfs/dbraw/zinc/18/40/40/562184040.db2.gz	XHKXTLZOMFJUFI-LJQANCHMSA-N	1	1	353.466	2.330	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C1=O	ZINC000521822847	562184041	/nfs/dbraw/zinc/18/40/41/562184041.db2.gz	XHKXTLZOMFJUFI-LJQANCHMSA-N	1	1	353.466	2.330	20	30		FEEDMO
CC(C)C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(C#N)cc1	ZINC000521821664	562184086	/nfs/dbraw/zinc/18/40/86/562184086.db2.gz	PENJXKUBZHPOTN-UHFFFAOYSA-N	1	1	370.375	2.404	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1	ZINC000376730323	558214209	/nfs/dbraw/zinc/21/42/09/558214209.db2.gz	WXKDPNNLUTXEFQ-HBMCJLEFSA-N	1	1	373.460	2.445	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000376750033	558216608	/nfs/dbraw/zinc/21/66/08/558216608.db2.gz	BQCQNANWWLFOJM-UHFFFAOYSA-N	1	1	352.442	2.244	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000377211340	558289693	/nfs/dbraw/zinc/28/96/93/558289693.db2.gz	CSRXJRUBEBMTBU-QHAWAJNXSA-N	1	1	369.509	2.252	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)cc1	ZINC000377226371	558293517	/nfs/dbraw/zinc/29/35/17/558293517.db2.gz	VYSLHEQDENWSIH-MOPGFXCFSA-N	1	1	373.497	2.382	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1	ZINC000522098533	562191379	/nfs/dbraw/zinc/19/13/79/562191379.db2.gz	OJGUONTZRGRBNT-RTBURBONSA-N	1	1	358.482	2.242	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC3(Cc4ccccc4C3)C2)nc1	ZINC000377542550	558360755	/nfs/dbraw/zinc/36/07/55/558360755.db2.gz	JBDHMGVTJRCJPE-UHFFFAOYSA-N	1	1	367.474	2.218	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC3(Cc4ccccc4C3)C2)nc1	ZINC000377542550	558360756	/nfs/dbraw/zinc/36/07/56/558360756.db2.gz	JBDHMGVTJRCJPE-UHFFFAOYSA-N	1	1	367.474	2.218	20	30		FEEDMO
C[C@H]1COCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000378291894	558521503	/nfs/dbraw/zinc/52/15/03/558521503.db2.gz	QUPCUJDSRLUHCR-CQSZACIVSA-N	1	1	354.372	2.141	20	30		FEEDMO
C[C@H]1COCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000378291894	558521505	/nfs/dbraw/zinc/52/15/05/558521505.db2.gz	QUPCUJDSRLUHCR-CQSZACIVSA-N	1	1	354.372	2.141	20	30		FEEDMO
CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000523411023	562212692	/nfs/dbraw/zinc/21/26/92/562212692.db2.gz	LBJWIRAOYXAWKY-CQSZACIVSA-N	1	1	373.400	2.434	20	30		FEEDMO
CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000523411023	562212693	/nfs/dbraw/zinc/21/26/93/562212693.db2.gz	LBJWIRAOYXAWKY-CQSZACIVSA-N	1	1	373.400	2.434	20	30		FEEDMO
CCN1CC[NH+](CCC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1	ZINC000378356966	558537836	/nfs/dbraw/zinc/53/78/36/558537836.db2.gz	QGIIQFCGTHAJQQ-UHFFFAOYSA-N	1	1	352.482	2.202	20	30		FEEDMO
C[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)CC[N@@H+]1C1CCN(C)CC1	ZINC000378366885	558540650	/nfs/dbraw/zinc/54/06/50/558540650.db2.gz	PSPVDHJCIMCGDH-OZSKJFCKSA-N	1	1	352.482	2.198	20	30		FEEDMO
C[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)CC[N@H+]1C1CCN(C)CC1	ZINC000378366885	558540653	/nfs/dbraw/zinc/54/06/53/558540653.db2.gz	PSPVDHJCIMCGDH-OZSKJFCKSA-N	1	1	352.482	2.198	20	30		FEEDMO
C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCNC(=O)C2N=CC=CC2=O)CC1	ZINC000378407808	558549884	/nfs/dbraw/zinc/54/98/84/558549884.db2.gz	XSSWCMQEMACURK-WXOYBGPJSA-N	1	1	360.502	2.146	20	30		FEEDMO
C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCNC(=O)C2N=CC=CC2=O)CC1	ZINC000378407801	558550072	/nfs/dbraw/zinc/55/00/72/558550072.db2.gz	XSSWCMQEMACURK-DBROBJPSSA-N	1	1	360.502	2.146	20	30		FEEDMO
CN(C(=O)[C@H]1CC12CC[NH+](CC(=O)Nc1ccc(C#N)cc1)CC2)C1CC1	ZINC000378468197	558564739	/nfs/dbraw/zinc/56/47/39/558564739.db2.gz	ZXRWYHVCAJXMJG-GOSISDBHSA-N	1	1	366.465	2.220	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000385138162	558606165	/nfs/dbraw/zinc/60/61/65/558606165.db2.gz	WFMCDIRSMXZJFK-GOSISDBHSA-N	1	1	355.463	2.420	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000385138162	558606168	/nfs/dbraw/zinc/60/61/68/558606168.db2.gz	WFMCDIRSMXZJFK-GOSISDBHSA-N	1	1	355.463	2.420	20	30		FEEDMO
C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)n1cnc(C#N)n1	ZINC000524181593	562225009	/nfs/dbraw/zinc/22/50/09/562225009.db2.gz	LHQPXSCSATYKKD-MIGBEJBISA-N	1	1	364.453	2.023	20	30		FEEDMO
CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000409841665	558722181	/nfs/dbraw/zinc/72/21/81/558722181.db2.gz	XGQYPUOUWUMMJB-SOLBZPMBSA-N	1	1	366.469	2.395	20	30		FEEDMO
C=CC[N@H+](CCOC[C@H]1CCCO1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000525487017	562249252	/nfs/dbraw/zinc/24/92/52/562249252.db2.gz	QZYCKIYTPUZHTQ-QFBILLFUSA-N	1	1	357.458	2.407	20	30		FEEDMO
CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC(N)=O	ZINC000411754688	558956965	/nfs/dbraw/zinc/95/69/65/558956965.db2.gz	FMZQWSQSKAQRBZ-LBPRGKRZSA-N	1	1	362.499	2.270	20	30		FEEDMO
N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000411965637	558996563	/nfs/dbraw/zinc/99/65/63/558996563.db2.gz	ARADXCICWYUQLN-LJQANCHMSA-N	1	1	350.378	2.095	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000412177251	559018373	/nfs/dbraw/zinc/01/83/73/559018373.db2.gz	RFFNXMWHSFNYBU-LSTHTHJFSA-N	1	1	354.498	2.052	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)nc1	ZINC000412679777	559050265	/nfs/dbraw/zinc/05/02/65/559050265.db2.gz	XPJALRIVJYLXKO-UYAOXDASSA-N	1	1	364.449	2.220	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnccc1C#N	ZINC000413994873	559145671	/nfs/dbraw/zinc/14/56/71/559145671.db2.gz	SMGCXMJPGCETQL-UYAOXDASSA-N	1	1	364.449	2.220	20	30		FEEDMO
CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000414499182	559168813	/nfs/dbraw/zinc/16/88/13/559168813.db2.gz	OBQDERYKGZSWQY-KRWDZBQOSA-N	1	1	351.454	2.374	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](C)Cn3cc[nH+]c3C)CC2)o1	ZINC000527236654	562281658	/nfs/dbraw/zinc/28/16/58/562281658.db2.gz	ZPLWMNYATFOYHX-ZDUSSCGKSA-N	1	1	370.457	2.029	20	30		FEEDMO
COc1ccccc1[C@H](CNS(=O)(=O)[C@H](C)C#N)[NH+]1CCCCC1	ZINC000416368447	559307902	/nfs/dbraw/zinc/30/79/02/559307902.db2.gz	HMCDGLMDYLPIKP-ZBFHGGJFSA-N	1	1	351.472	2.054	20	30		FEEDMO
C[C@H]1[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)CCC[N@@H+]1C	ZINC000416458249	559314469	/nfs/dbraw/zinc/31/44/69/559314469.db2.gz	QDBIUSQHBZVGLY-GWCFXTLKSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[C@H]1[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)CCC[N@H+]1C	ZINC000416458249	559314470	/nfs/dbraw/zinc/31/44/70/559314470.db2.gz	QDBIUSQHBZVGLY-GWCFXTLKSA-N	1	1	372.288	2.082	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1	ZINC000418707339	559411825	/nfs/dbraw/zinc/41/18/25/559411825.db2.gz	BNWJLNYFHVJBBS-VQTJNVASSA-N	1	1	369.513	2.293	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NCC1(C#N)CCC1)CC2	ZINC000419455455	559443143	/nfs/dbraw/zinc/44/31/43/559443143.db2.gz	WZAXNJDMZSGSPJ-UHFFFAOYSA-N	1	1	372.469	2.055	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NCC1(C#N)CCC1)CC2	ZINC000419455455	559443144	/nfs/dbraw/zinc/44/31/44/559443144.db2.gz	WZAXNJDMZSGSPJ-UHFFFAOYSA-N	1	1	372.469	2.055	20	30		FEEDMO
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CCC[N@H+](CCCO)C1	ZINC000419603263	559449394	/nfs/dbraw/zinc/44/93/94/559449394.db2.gz	BAZYHEFALVMHJC-HKUYNNGSSA-N	1	1	356.470	2.082	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1	ZINC000527300030	562284172	/nfs/dbraw/zinc/28/41/72/562284172.db2.gz	ZSJPURMLTZLDQO-CVEARBPZSA-N	1	1	354.454	2.288	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)C(=O)COc1cccc(Br)c1C#N	ZINC000421710999	559550468	/nfs/dbraw/zinc/55/04/68/559550468.db2.gz	NLXWYIWBXWKRFB-GFCCVEGCSA-N	1	1	366.259	2.252	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C	ZINC000422105608	559565566	/nfs/dbraw/zinc/56/55/66/559565566.db2.gz	QEWOKKRRHVFXRO-CYBMUJFWSA-N	1	1	369.918	2.469	20	30		FEEDMO
CCC[C@H]1CN(C(=O)NCc2ccc(C#N)s2)CC[N@H+]1CCOC	ZINC000422219638	559572170	/nfs/dbraw/zinc/57/21/70/559572170.db2.gz	OVCYGWGDKWMGGC-AWEZNQCLSA-N	1	1	350.488	2.262	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1	ZINC000422422010	559587142	/nfs/dbraw/zinc/58/71/42/559587142.db2.gz	FCUTYASMZGRBMR-LPHOPBHVSA-N	1	1	355.482	2.057	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1	ZINC000422533401	559593382	/nfs/dbraw/zinc/59/33/82/559593382.db2.gz	XCIKRXXOLZZZRS-MOPGFXCFSA-N	1	1	357.498	2.090	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000422547725	559594442	/nfs/dbraw/zinc/59/44/42/559594442.db2.gz	XNWIZNSAROLGTM-VQTJNVASSA-N	1	1	371.525	2.480	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1c(C#N)cccc1[N+](=O)[O-]	ZINC000425237443	559692786	/nfs/dbraw/zinc/69/27/86/559692786.db2.gz	SCIXIEIRNSMFBC-HNNXBMFYSA-N	1	1	366.425	2.484	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000425386689	559699335	/nfs/dbraw/zinc/69/93/35/559699335.db2.gz	POYVCMCKIOUUPY-AEFFLSMTSA-N	1	1	370.497	2.268	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000425439677	559702280	/nfs/dbraw/zinc/70/22/80/559702280.db2.gz	FMBQBQLWQARKAJ-AABGKKOBSA-N	1	1	357.498	2.441	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1	ZINC000425529176	559707888	/nfs/dbraw/zinc/70/78/88/559707888.db2.gz	AUGWEBUWIFDMOW-JKSUJKDBSA-N	1	1	356.470	2.068	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N[C@@H](C)C(=O)N1CCCCC1	ZINC000425529176	559707889	/nfs/dbraw/zinc/70/78/89/559707889.db2.gz	AUGWEBUWIFDMOW-JKSUJKDBSA-N	1	1	356.470	2.068	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000425529357	559708149	/nfs/dbraw/zinc/70/81/49/559708149.db2.gz	BHEMHUKHUMNHBK-PXNSSMCTSA-N	1	1	367.497	2.243	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000425529357	559708150	/nfs/dbraw/zinc/70/81/50/559708150.db2.gz	BHEMHUKHUMNHBK-PXNSSMCTSA-N	1	1	367.497	2.243	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC[NH+](CCN(C)C)CC1	ZINC000425652558	559713228	/nfs/dbraw/zinc/71/32/28/559713228.db2.gz	NSDWQFVZVYYFAV-MRXNPFEDSA-N	1	1	357.502	2.287	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1	ZINC000425884969	559723953	/nfs/dbraw/zinc/72/39/53/559723953.db2.gz	LBYKWPAEYYSXRA-VQIMIIECSA-N	1	1	370.497	2.458	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1cccnc1C#N)C1CC1	ZINC000428426893	559775291	/nfs/dbraw/zinc/77/52/91/559775291.db2.gz	YXYMPCXFTMNLSI-SFHVURJKSA-N	1	1	370.478	2.142	20	30		FEEDMO
Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000428781559	559783072	/nfs/dbraw/zinc/78/30/72/559783072.db2.gz	GZUKCNBMLYFUSG-RTBURBONSA-N	1	1	367.449	2.463	20	30		FEEDMO
Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000428820337	559784130	/nfs/dbraw/zinc/78/41/30/559784130.db2.gz	URXXKYNKTXUFKY-QFBILLFUSA-N	1	1	364.449	2.420	20	30		FEEDMO
Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000428820337	559784131	/nfs/dbraw/zinc/78/41/31/559784131.db2.gz	URXXKYNKTXUFKY-QFBILLFUSA-N	1	1	364.449	2.420	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1	ZINC000430280765	559816880	/nfs/dbraw/zinc/81/68/80/559816880.db2.gz	QMIJTXZTVOQOCK-KUHUBIRLSA-N	1	1	374.510	2.335	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1	ZINC000430280765	559816881	/nfs/dbraw/zinc/81/68/81/559816881.db2.gz	QMIJTXZTVOQOCK-KUHUBIRLSA-N	1	1	374.510	2.335	20	30		FEEDMO
CN(C(=O)[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1)c1ccccc1	ZINC000430309718	559817526	/nfs/dbraw/zinc/81/75/26/559817526.db2.gz	XAKYALBAKCIOQA-MJGOQNOKSA-N	1	1	362.433	2.070	20	30		FEEDMO
CN(C(=O)[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1)c1ccccc1	ZINC000430309718	559817527	/nfs/dbraw/zinc/81/75/27/559817527.db2.gz	XAKYALBAKCIOQA-MJGOQNOKSA-N	1	1	362.433	2.070	20	30		FEEDMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H](CCCC#N)c1ccccc1	ZINC000431285679	559836896	/nfs/dbraw/zinc/83/68/96/559836896.db2.gz	UVZAXOURYIJWPF-IEBWSBKVSA-N	1	1	357.502	2.357	20	30		FEEDMO
CN(CC[N@@H+]1CCOC(C)(C)C1)CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000434699868	559906699	/nfs/dbraw/zinc/90/66/99/559906699.db2.gz	OUZMDDQRHXEWFA-UHFFFAOYSA-N	1	1	364.877	2.193	20	30		FEEDMO
CN(CC[N@H+]1CCOC(C)(C)C1)CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000434699868	559906700	/nfs/dbraw/zinc/90/67/00/559906700.db2.gz	OUZMDDQRHXEWFA-UHFFFAOYSA-N	1	1	364.877	2.193	20	30		FEEDMO
C[C@H](CN1CCOCC1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000434711849	559907432	/nfs/dbraw/zinc/90/74/32/559907432.db2.gz	RZQLPQZPQBOPJY-CQSZACIVSA-N	1	1	364.877	2.193	20	30		FEEDMO
CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000439474655	559994927	/nfs/dbraw/zinc/99/49/27/559994927.db2.gz	XWDSGBCOTZFMFK-YWZLYKJASA-N	1	1	373.453	2.177	20	30		FEEDMO
CCOC(=O)[C@@]1(COC)CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000439474655	559994928	/nfs/dbraw/zinc/99/49/28/559994928.db2.gz	XWDSGBCOTZFMFK-YWZLYKJASA-N	1	1	373.453	2.177	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)c1cccs1	ZINC000440041929	560003554	/nfs/dbraw/zinc/00/35/54/560003554.db2.gz	HKVQIJAMKMTCCT-OAHLLOKOSA-N	1	1	367.471	2.481	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)[N@H+]1CCC[C@@H](C)C1	ZINC000440058335	560004016	/nfs/dbraw/zinc/00/40/16/560004016.db2.gz	CGBCTRIKYWLSJQ-ZIAGYGMSSA-N	1	1	353.463	2.237	20	30		FEEDMO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCC(=O)Nc1cccc(C#N)c1	ZINC000441250366	560027255	/nfs/dbraw/zinc/02/72/55/560027255.db2.gz	QIQXFDWTIHSMKZ-CEXWTWQISA-N	1	1	356.470	2.070	20	30		FEEDMO
COc1cc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)ccc1C#N	ZINC000443077108	560069643	/nfs/dbraw/zinc/06/96/43/560069643.db2.gz	ZFGXYOFTXYQLMC-ROUUACIJSA-N	1	1	369.444	2.401	20	30		FEEDMO
C[NH+](C)Cc1cc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)no1	ZINC000444524657	560115019	/nfs/dbraw/zinc/11/50/19/560115019.db2.gz	FICFSJCBKQUSAW-UHFFFAOYSA-N	1	1	373.844	2.224	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(C#N)n3C)c2)CCO1	ZINC000448798605	560200075	/nfs/dbraw/zinc/20/00/75/560200075.db2.gz	TVVCXOFLDRPXTP-HNNXBMFYSA-N	1	1	352.438	2.047	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(C#N)n3C)c2)CCO1	ZINC000448798605	560200076	/nfs/dbraw/zinc/20/00/76/560200076.db2.gz	TVVCXOFLDRPXTP-HNNXBMFYSA-N	1	1	352.438	2.047	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000448857578	560203164	/nfs/dbraw/zinc/20/31/64/560203164.db2.gz	GHKJLGPBBBHZGN-OAHLLOKOSA-N	1	1	365.437	2.144	20	30		FEEDMO
C[C@H]1C[C@]1(C#N)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000448892539	560205132	/nfs/dbraw/zinc/20/51/32/560205132.db2.gz	CSLSHBVAWLDJGZ-HRAATJIYSA-N	1	1	371.481	2.342	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1	ZINC000448916469	560206678	/nfs/dbraw/zinc/20/66/78/560206678.db2.gz	XZOAGMCUONDJMU-UHFFFAOYSA-N	1	1	365.481	2.085	20	30		FEEDMO
C[C@H]1C[C@@H]1c1nnc2ccc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)nn21	ZINC000450220956	560254285	/nfs/dbraw/zinc/25/42/85/560254285.db2.gz	MVWLLJHBISXEQU-YJBOKZPZSA-N	1	1	373.464	2.442	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000450704214	560270845	/nfs/dbraw/zinc/27/08/45/560270845.db2.gz	UUHXNQPFROYKLX-CQSZACIVSA-N	1	1	374.872	2.117	20	30		FEEDMO
C[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)C[C@H](C)[N@@H+]1CCO	ZINC000450796936	560273714	/nfs/dbraw/zinc/27/37/14/560273714.db2.gz	ROXPJQZOKPDAPY-PHIMTYICSA-N	1	1	364.371	2.415	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C#N)[nH]c2C)[C@@H]1c1cnn(C)c1	ZINC000450880148	560276504	/nfs/dbraw/zinc/27/65/04/560276504.db2.gz	KDAMVZYFCDYQBI-HNAYVOBHSA-N	1	1	368.485	2.474	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1	ZINC000451052702	560284807	/nfs/dbraw/zinc/28/48/07/560284807.db2.gz	BEIWFMZEXLDIFL-ZDUSSCGKSA-N	1	1	355.891	2.416	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)CC2(CC#N)CC2)cc1F	ZINC000451116878	560288082	/nfs/dbraw/zinc/28/80/82/560288082.db2.gz	SJJLMYSSPNDWEO-UHFFFAOYSA-N	1	1	362.430	2.433	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3cccc(F)c3C#N)C2)CC1	ZINC000451529957	560312436	/nfs/dbraw/zinc/31/24/36/560312436.db2.gz	OGEKYJMVIHMPKL-SFHVURJKSA-N	1	1	372.488	2.464	20	30		FEEDMO
C[C@](CO)([NH2+]CC(=O)NC1(C#N)CCC1)c1cc(Cl)cc(Cl)c1	ZINC000451907799	560336402	/nfs/dbraw/zinc/33/64/02/560336402.db2.gz	JREJHCDTNYXHBN-OAHLLOKOSA-N	1	1	356.253	2.353	20	30		FEEDMO
C[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@H](C)[N@@H+]1C	ZINC000452153037	560353913	/nfs/dbraw/zinc/35/39/13/560353913.db2.gz	PFKQODGFVQVBDN-TXEJJXNPSA-N	1	1	366.259	2.251	20	30		FEEDMO
C=CCn1c([C@H]2CCCO2)nnc1N1CC[N@@H+](CCOC)[C@@H](CCC)C1	ZINC000453414464	560386136	/nfs/dbraw/zinc/38/61/36/560386136.db2.gz	NQEFGUHVLCCGKU-DLBZAZTESA-N	1	1	363.506	2.253	20	30		FEEDMO
C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[NH+](CCOC(C)C)CC1	ZINC000453411915	560386173	/nfs/dbraw/zinc/38/61/73/560386173.db2.gz	FSALIOQSJKLLSH-IRXDYDNUSA-N	1	1	363.506	2.251	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@H+]1C	ZINC000453666051	560394896	/nfs/dbraw/zinc/39/48/96/560394896.db2.gz	WBQBKQTZPVOVHB-XJKSGUPXSA-N	1	1	372.469	2.273	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000453674669	560395709	/nfs/dbraw/zinc/39/57/09/560395709.db2.gz	ODVHLSURGRCCEO-AWEZNQCLSA-N	1	1	362.861	2.145	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000453704796	560398214	/nfs/dbraw/zinc/39/82/14/560398214.db2.gz	TXMYZMQXEGKAQD-RDJZCZTQSA-N	1	1	368.481	2.460	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000453712744	560398818	/nfs/dbraw/zinc/39/88/18/560398818.db2.gz	HQPBWTACEXNGOZ-PBHICJAKSA-N	1	1	374.872	2.287	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453713523	560399006	/nfs/dbraw/zinc/39/90/06/560399006.db2.gz	INVAYAPUVQZKEK-WBMJQRKESA-N	1	1	362.861	2.143	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453714851	560399055	/nfs/dbraw/zinc/39/90/55/560399055.db2.gz	QSHFJLRXDZKOON-LSDHHAIUSA-N	1	1	374.872	2.430	20	30		FEEDMO
N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1	ZINC000454711115	560455317	/nfs/dbraw/zinc/45/53/17/560455317.db2.gz	JBRGFXCWWXTJLW-ZDUSSCGKSA-N	1	1	368.384	2.128	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000455139423	560471487	/nfs/dbraw/zinc/47/14/87/560471487.db2.gz	JLHXOTSKYYKFQK-INIZCTEOSA-N	1	1	353.430	2.135	20	30		FEEDMO
C=CC(C)(C)CNC(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000455380036	560480163	/nfs/dbraw/zinc/48/01/63/560480163.db2.gz	FTFGEMMODRMDDM-IRXDYDNUSA-N	1	1	367.534	2.498	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)C[NH+]1CCOCC1	ZINC000455694594	560492004	/nfs/dbraw/zinc/49/20/04/560492004.db2.gz	AEHFUTOIRFQJQW-ZDUSSCGKSA-N	1	1	350.850	2.496	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCNC(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455726609	560492982	/nfs/dbraw/zinc/49/29/82/560492982.db2.gz	FAMGFGYDRONKJJ-UHFFFAOYSA-N	1	1	351.882	2.411	20	30		FEEDMO
CN(CCCNC(=O)Nc1ccc(CC#N)cc1Cl)CC[NH+](C)C	ZINC000455726609	560492983	/nfs/dbraw/zinc/49/29/83/560492983.db2.gz	FAMGFGYDRONKJJ-UHFFFAOYSA-N	1	1	351.882	2.411	20	30		FEEDMO
C=CCC[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)C(=O)OCC	ZINC000456600942	560525473	/nfs/dbraw/zinc/52/54/73/560525473.db2.gz	FONJUFOPLDPRPC-OALUTQOASA-N	1	1	374.481	2.199	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000459260669	560676438	/nfs/dbraw/zinc/67/64/38/560676438.db2.gz	QTBUGIGGQKSQHP-UHFFFAOYSA-N	1	1	373.501	2.255	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000459641995	560699480	/nfs/dbraw/zinc/69/94/80/560699480.db2.gz	MSCBDWQTWNSNIZ-ZIAGYGMSSA-N	1	1	361.408	2.428	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)Cc2cccc(F)c2)CC1	ZINC000459761093	560706722	/nfs/dbraw/zinc/70/67/22/560706722.db2.gz	KQTACNYDTZRNOU-PXNSSMCTSA-N	1	1	374.504	2.381	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000459817786	560710597	/nfs/dbraw/zinc/71/05/97/560710597.db2.gz	NHTBEYFITGNADJ-JOCHJYFZSA-N	1	1	367.493	2.312	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000460768339	560751382	/nfs/dbraw/zinc/75/13/82/560751382.db2.gz	KYNSOEZIIMOWRQ-DOTOQJQBSA-N	1	1	363.506	2.251	20	30		FEEDMO
CCCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)cn1	ZINC000461936905	560788656	/nfs/dbraw/zinc/78/86/56/560788656.db2.gz	ORVLTWJMETVJTR-MSOLQXFVSA-N	1	1	358.490	2.203	20	30		FEEDMO
CCCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3C#N)CC2)cn1	ZINC000461936905	560788658	/nfs/dbraw/zinc/78/86/58/560788658.db2.gz	ORVLTWJMETVJTR-MSOLQXFVSA-N	1	1	358.490	2.203	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+](C)C1CCCCC1	ZINC000463698604	560821804	/nfs/dbraw/zinc/82/18/04/560821804.db2.gz	CQAIWTZBCSRADZ-UHFFFAOYSA-N	1	1	351.472	2.110	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C	ZINC000464407232	560840939	/nfs/dbraw/zinc/84/09/39/560840939.db2.gz	PMDYCJULGKKIMH-OKILXGFUSA-N	1	1	351.472	2.108	20	30		FEEDMO
COC(=O)C[C@@]1([NH2+]Cc2ccc(C#N)cc2Br)CCOC1	ZINC000464626551	560847184	/nfs/dbraw/zinc/84/71/84/560847184.db2.gz	VERXEVROXJPJRT-HNNXBMFYSA-N	1	1	353.216	2.133	20	30		FEEDMO
N#CCCn1cc(C(=O)C[N@@H+]2CCCC[C@H]2CC(N)=O)c2ccccc21	ZINC000472431180	561026275	/nfs/dbraw/zinc/02/62/75/561026275.db2.gz	LWTBMZOZCSVVOZ-HNNXBMFYSA-N	1	1	352.438	2.468	20	30		FEEDMO
C=CCC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)Oc2ccc(CC)cc2)CC1	ZINC000472588161	561030082	/nfs/dbraw/zinc/03/00/82/561030082.db2.gz	IYAGWDVMOQTISD-PKOBYXMFSA-N	1	1	360.498	2.488	20	30		FEEDMO
C=CCOc1cccc(NC(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c1	ZINC000472706617	561033501	/nfs/dbraw/zinc/03/35/01/561033501.db2.gz	CQIROUSKDXYBDT-HNNXBMFYSA-N	1	1	361.442	2.353	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528380990	562325951	/nfs/dbraw/zinc/32/59/51/562325951.db2.gz	LBWKBAFRWZRFKL-FUHWJXTLSA-N	1	1	373.497	2.172	20	30		FEEDMO
COc1cc(OC)cc(N2CCC[N@@H+](C[C@@H](O)CC3(C#N)CC3)CC2)c1	ZINC000528406028	562327428	/nfs/dbraw/zinc/32/74/28/562327428.db2.gz	SANXPBRPLFIKOM-KRWDZBQOSA-N	1	1	359.470	2.271	20	30		FEEDMO
Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528422541	562328517	/nfs/dbraw/zinc/32/85/17/562328517.db2.gz	SAKJOYSFIQXSNE-SFHVURJKSA-N	1	1	362.433	2.029	20	30		FEEDMO
Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528422541	562328518	/nfs/dbraw/zinc/32/85/18/562328518.db2.gz	SAKJOYSFIQXSNE-SFHVURJKSA-N	1	1	362.433	2.029	20	30		FEEDMO
CC(=O)N1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)CC12CCCCC2	ZINC000528430014	562329020	/nfs/dbraw/zinc/32/90/20/562329020.db2.gz	JLCURKIZRGTFDP-IBGZPJMESA-N	1	1	371.481	2.165	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@H](Cc2ccncc2)C1	ZINC000528442916	562329636	/nfs/dbraw/zinc/32/96/36/562329636.db2.gz	NAAKFICJEOZYPJ-SFHVURJKSA-N	1	1	359.429	2.246	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1	ZINC000528480147	562331498	/nfs/dbraw/zinc/33/14/98/562331498.db2.gz	YAOGJDKQCCINSB-INIZCTEOSA-N	1	1	363.483	2.252	20	30		FEEDMO
COCc1ccc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1C#N	ZINC000529206865	562364776	/nfs/dbraw/zinc/36/47/76/562364776.db2.gz	YNJJSJFANUXQJI-HNNXBMFYSA-N	1	1	372.469	2.422	20	30		FEEDMO
CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccc(COC)c(C#N)c2)CC1	ZINC000529210954	562365024	/nfs/dbraw/zinc/36/50/24/562365024.db2.gz	TVUQMKAPQDEPIS-UHFFFAOYSA-N	1	1	373.501	2.242	20	30		FEEDMO
COCc1ccc(NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1C#N	ZINC000529219397	562365261	/nfs/dbraw/zinc/36/52/61/562365261.db2.gz	WBQXOJCJPDARIA-GOSISDBHSA-N	1	1	360.458	2.183	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)c2cc(C#N)cs2)c2cccs2)CC1	ZINC000531218821	562438569	/nfs/dbraw/zinc/43/85/69/562438569.db2.gz	BBDRTTKYYSWTKX-AWEZNQCLSA-N	1	1	360.508	2.400	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1	ZINC000531614812	562451625	/nfs/dbraw/zinc/45/16/25/562451625.db2.gz	ITPKCMVRODKUSU-CVEARBPZSA-N	1	1	351.491	2.438	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1	ZINC000531614812	562451626	/nfs/dbraw/zinc/45/16/26/562451626.db2.gz	ITPKCMVRODKUSU-CVEARBPZSA-N	1	1	351.491	2.438	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](Cc3ccco3)C(C)C)CC2)o1	ZINC000532926531	562492711	/nfs/dbraw/zinc/49/27/11/562492711.db2.gz	LOKKCRAIHVVNSK-UHFFFAOYSA-N	1	1	371.441	2.007	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](Cc3ccco3)C(C)C)CC2)o1	ZINC000532926531	562492712	/nfs/dbraw/zinc/49/27/12/562492712.db2.gz	LOKKCRAIHVVNSK-UHFFFAOYSA-N	1	1	371.441	2.007	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000533094548	562498052	/nfs/dbraw/zinc/49/80/52/562498052.db2.gz	CBAVLCVZDAQCAW-LLVKDONJSA-N	1	1	361.389	2.197	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCN2CCCC2=O)c1	ZINC000535724564	562565450	/nfs/dbraw/zinc/56/54/50/562565450.db2.gz	XKNKZUOFOKJRQW-SFHVURJKSA-N	1	1	370.497	2.493	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCN2CCCC2=O)c1	ZINC000535724564	562565451	/nfs/dbraw/zinc/56/54/51/562565451.db2.gz	XKNKZUOFOKJRQW-SFHVURJKSA-N	1	1	370.497	2.493	20	30		FEEDMO
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2	ZINC000537066278	562584999	/nfs/dbraw/zinc/58/49/99/562584999.db2.gz	XLJODAUQRKUOTG-CVEARBPZSA-N	1	1	373.497	2.286	20	30		FEEDMO
Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCN(c2cccc(C#N)n2)CC1	ZINC000549779450	562639842	/nfs/dbraw/zinc/63/98/42/562639842.db2.gz	JTOJHEOLBVYGDV-UHFFFAOYSA-N	1	1	373.464	2.473	20	30		FEEDMO
N#Cc1cnn2cc(C[NH2+][C@@H](CN3CCCC3=O)c3ccccc3)cnc12	ZINC000550156811	562643489	/nfs/dbraw/zinc/64/34/89/562643489.db2.gz	KSUXDBKYFCYCMA-SFHVURJKSA-N	1	1	360.421	2.054	20	30		FEEDMO
N#CC[C@]1(O)CCN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1	ZINC000602392505	567974950	/nfs/dbraw/zinc/97/49/50/567974950.db2.gz	RHHJVGXQEUKPET-CTNGQTDRSA-N	1	1	370.497	2.491	20	30		FEEDMO
C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1	ZINC000602857184	568002592	/nfs/dbraw/zinc/00/25/92/568002592.db2.gz	PUYDYLYPSQMLDG-BRWVUGGUSA-N	1	1	367.497	2.133	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1	ZINC000602890252	568007142	/nfs/dbraw/zinc/00/71/42/568007142.db2.gz	ZJZRIWXAJDCRPC-RDJZCZTQSA-N	1	1	351.454	2.427	20	30		FEEDMO
N#CCCN1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1	ZINC000602799957	568036296	/nfs/dbraw/zinc/03/62/96/568036296.db2.gz	SMWSBJKZPXZJRZ-HNNXBMFYSA-N	1	1	358.269	2.264	20	30		FEEDMO
C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000568911558	568251905	/nfs/dbraw/zinc/25/19/05/568251905.db2.gz	OFLQEQSBOGHOMR-UHFFFAOYSA-N	1	1	368.393	2.214	20	30		FEEDMO
C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000568911558	568251906	/nfs/dbraw/zinc/25/19/06/568251906.db2.gz	OFLQEQSBOGHOMR-UHFFFAOYSA-N	1	1	368.393	2.214	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N2c3ccccc3C[C@H]2C)CC1	ZINC000604483256	568300751	/nfs/dbraw/zinc/30/07/51/568300751.db2.gz	JXGJVFVAEILHTF-CVEARBPZSA-N	1	1	370.497	2.302	20	30		FEEDMO
CC1(C)COC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000569320012	568375584	/nfs/dbraw/zinc/37/55/84/568375584.db2.gz	DSRRQIKGZBNCKR-GOSISDBHSA-N	1	1	356.470	2.201	20	30		FEEDMO
CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1nnc2n1CCCCC2	ZINC000569686013	568411777	/nfs/dbraw/zinc/41/17/77/568411777.db2.gz	CZMIEVXGOHAFJD-SJLPKXTDSA-N	1	1	369.469	2.357	20	30		FEEDMO
N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000556706446	674414234	/nfs/dbraw/zinc/41/42/34/674414234.db2.gz	ZFAOJPMHLKFHMV-KRWDZBQOSA-N	1	1	360.483	2.394	20	30		FEEDMO
Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(c3ccccc3C#N)CC2)[nH+]1	ZINC000737246432	598245288	/nfs/dbraw/zinc/24/52/88/598245288.db2.gz	UKAADEVMUNLHRW-UHFFFAOYSA-N	1	1	360.425	2.077	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1	ZINC000557520680	674451892	/nfs/dbraw/zinc/45/18/92/674451892.db2.gz	FHTICPZQTDQRGH-KRWDZBQOSA-N	1	1	352.500	2.355	20	30		FEEDMO
N#CC1(NC(=O)C[NH2+][C@@H](CCO)c2ccccc2Br)CCC1	ZINC000558093554	674483033	/nfs/dbraw/zinc/48/30/33/674483033.db2.gz	PGCCLHYLQMODKT-AWEZNQCLSA-N	1	1	366.259	2.025	20	30		FEEDMO
Cc1cc(N2CCC[C@H]([NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)nc(C)[nH+]1	ZINC000832890967	601305465	/nfs/dbraw/zinc/30/54/65/601305465.db2.gz	JBLVRXRXNFNLSB-PKOBYXMFSA-N	1	1	365.437	2.349	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000810071274	674529405	/nfs/dbraw/zinc/52/94/05/674529405.db2.gz	AJNQEFXJLIWUTN-CYBMUJFWSA-N	1	1	355.360	2.457	20	30		FEEDMO
N#CC1(CCC[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CCOCC1	ZINC000810065796	674528573	/nfs/dbraw/zinc/52/85/73/674528573.db2.gz	DDGHZMFYXJBUCY-AWEZNQCLSA-N	1	1	361.408	2.477	20	30		FEEDMO
C#C[C@H](NC(=O)NC1CC[NH+](CCN(C)C)CC1)c1ccc(Cl)cc1	ZINC000811999003	674645844	/nfs/dbraw/zinc/64/58/44/674645844.db2.gz	GPYXHRPGMKRGSH-SFHVURJKSA-N	1	1	362.905	2.340	20	30		FEEDMO
C=CCNC(=O)CNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC	ZINC000561670123	674688602	/nfs/dbraw/zinc/68/86/02/674688602.db2.gz	FAASYMHRCZFMSQ-MRXNPFEDSA-N	1	1	366.893	2.324	20	30		FEEDMO
N#CCCNC(=O)C[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1	ZINC000814677392	674874781	/nfs/dbraw/zinc/87/47/81/674874781.db2.gz	VSJIRERBSRRSAJ-AWEZNQCLSA-N	1	1	350.260	2.343	20	30		FEEDMO
C#CCNC(=O)CC[N@H+](CCOC)Cc1ccc(Br)s1	ZINC000815101767	674918490	/nfs/dbraw/zinc/91/84/90/674918490.db2.gz	AKUCBZDNYCNGLP-UHFFFAOYSA-N	1	1	359.289	2.099	20	30		FEEDMO
N#Cc1cc(Br)ccc1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1	ZINC000563721168	674932868	/nfs/dbraw/zinc/93/28/68/674932868.db2.gz	CPGDIECHHPLSLF-UHFFFAOYSA-N	1	1	360.215	2.006	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnc(C)s3)C[C@@H]2C1	ZINC001048827043	675015939	/nfs/dbraw/zinc/01/59/39/675015939.db2.gz	TUVBTTPBTXKSFM-ATLSCFEFSA-N	1	1	361.511	2.323	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3scnc3C)C[C@@H]2C1	ZINC001049111073	675023424	/nfs/dbraw/zinc/02/34/24/675023424.db2.gz	IKBPXRWDCBXIFP-DFGXFYAUSA-N	1	1	361.511	2.323	20	30		FEEDMO
C=CC[N@@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000067400058	670457204	/nfs/dbraw/zinc/45/72/04/670457204.db2.gz	PBYRKIVWURMOML-HZPDHXFCSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CC[N@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000067400058	670457205	/nfs/dbraw/zinc/45/72/05/670457205.db2.gz	PBYRKIVWURMOML-HZPDHXFCSA-N	1	1	372.531	2.309	20	30		FEEDMO
CC[C@@H](CSC)[N@@H+](C)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000091024105	670715666	/nfs/dbraw/zinc/71/56/66/670715666.db2.gz	KBBIQSHTOLAIGS-INIZCTEOSA-N	1	1	360.483	2.353	20	30		FEEDMO
COc1ccc(OC)c(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1	ZINC000571942803	670942898	/nfs/dbraw/zinc/94/28/98/670942898.db2.gz	RXXHBTCYGBHNBL-UHFFFAOYSA-N	1	1	360.435	2.139	20	30		FEEDMO
CC(C)(CNS(=O)(=O)CC1(C#N)CCC1)[N@H+]1CCc2ccccc2C1	ZINC000572564033	671017185	/nfs/dbraw/zinc/01/71/85/671017185.db2.gz	WAOQLEPCXFTFTO-UHFFFAOYSA-N	1	1	361.511	2.437	20	30		FEEDMO
O=S(=O)(NC[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1	ZINC000572863741	671053474	/nfs/dbraw/zinc/05/34/74/671053474.db2.gz	CEZMHEKGXNCUPV-MRXNPFEDSA-N	1	1	366.914	2.485	20	30		FEEDMO
O=S(=O)(NC[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1	ZINC000572863741	671053478	/nfs/dbraw/zinc/05/34/78/671053478.db2.gz	CEZMHEKGXNCUPV-MRXNPFEDSA-N	1	1	366.914	2.485	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CCC1	ZINC000579291232	671725136	/nfs/dbraw/zinc/72/51/36/671725136.db2.gz	GZACOXUSVPKQKH-SFHVURJKSA-N	1	1	361.511	2.464	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccnc2C#N)C1	ZINC000582098851	671967604	/nfs/dbraw/zinc/96/76/04/671967604.db2.gz	BBVZVGBLFDICTA-GOEBONIOSA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2cccnc2C#N)C1	ZINC000582098851	671967606	/nfs/dbraw/zinc/96/76/06/671967606.db2.gz	BBVZVGBLFDICTA-GOEBONIOSA-N	1	1	356.451	2.067	20	30		FEEDMO
CC(C)C(N)=[NH+]OCC(=O)Nc1cccc(I)c1	ZINC000133669660	672113574	/nfs/dbraw/zinc/11/35/74/672113574.db2.gz	HCZQTJMYKLBGHY-UHFFFAOYSA-N	1	1	361.183	2.175	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C[C@@H]1C	ZINC000611100529	676016907	/nfs/dbraw/zinc/01/69/07/676016907.db2.gz	ITKCLFZUEULSGD-AWEZNQCLSA-N	1	1	360.483	2.183	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C[C@@H]1C	ZINC000611100529	676016909	/nfs/dbraw/zinc/01/69/09/676016909.db2.gz	ITKCLFZUEULSGD-AWEZNQCLSA-N	1	1	360.483	2.183	20	30		FEEDMO
N#CCCN1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1	ZINC000611174232	676022784	/nfs/dbraw/zinc/02/27/84/676022784.db2.gz	YHKPFYVMLIDTRO-CYBMUJFWSA-N	1	1	358.269	2.264	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc2c(cc1Cl)OCCO2	ZINC000588963848	672496242	/nfs/dbraw/zinc/49/62/42/672496242.db2.gz	SAHVCVQHOJVYNP-UHFFFAOYSA-N	1	1	361.833	2.353	20	30		FEEDMO
N#Cc1cc(Br)cnc1N1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000590685664	672601807	/nfs/dbraw/zinc/60/18/07/672601807.db2.gz	KWWRJUXESXIPRU-OAHLLOKOSA-N	1	1	365.275	2.407	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c(C#N)c1C	ZINC000590749474	672609646	/nfs/dbraw/zinc/60/96/46/672609646.db2.gz	SVMQVAHZZMDKER-FMKPAKJESA-N	1	1	363.483	2.037	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c(C#N)c1C	ZINC000590749474	672609652	/nfs/dbraw/zinc/60/96/52/672609652.db2.gz	SVMQVAHZZMDKER-FMKPAKJESA-N	1	1	363.483	2.037	20	30		FEEDMO
CN1C(=O)NCC12CC[NH+](Cc1cc(C#N)ccc1Br)CC2	ZINC000591855638	672716719	/nfs/dbraw/zinc/71/67/19/672716719.db2.gz	NOSCCDLWDIRCFT-UHFFFAOYSA-N	1	1	363.259	2.310	20	30		FEEDMO
C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@](O)(CC#N)C1	ZINC000592151108	672764894	/nfs/dbraw/zinc/76/48/94/672764894.db2.gz	LYOXDQQXGJLOKF-YVEFUNNKSA-N	1	1	353.825	2.176	20	30		FEEDMO
C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@](O)(CC#N)C1	ZINC000592151108	672764895	/nfs/dbraw/zinc/76/48/95/672764895.db2.gz	LYOXDQQXGJLOKF-YVEFUNNKSA-N	1	1	353.825	2.176	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000245198510	672817526	/nfs/dbraw/zinc/81/75/26/672817526.db2.gz	NSXJKUUYCDFIEL-LSDHHAIUSA-N	1	1	352.479	2.078	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000245198510	672817531	/nfs/dbraw/zinc/81/75/31/672817531.db2.gz	NSXJKUUYCDFIEL-LSDHHAIUSA-N	1	1	352.479	2.078	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1	ZINC000247279570	672848494	/nfs/dbraw/zinc/84/84/94/672848494.db2.gz	XFYXUJDRFWGCRT-LSDHHAIUSA-N	1	1	365.499	2.428	20	30		FEEDMO
O=C(NCC[NH2+]Cc1csc(-c2ccsc2)n1)C1N=CC=CC1=O	ZINC000255617087	672894348	/nfs/dbraw/zinc/89/43/48/672894348.db2.gz	HYPYIEMPNPPUJW-CCEZHUSRSA-N	1	1	360.464	2.488	20	30		FEEDMO
C[NH+]=C(NC[C@H]1CCCS1)NCC1(N2CCSCC2)CCCC1	ZINC000261933803	672905454	/nfs/dbraw/zinc/90/54/54/672905454.db2.gz	CAJGTLZELRZNSB-OAHLLOKOSA-N	1	1	356.605	2.409	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1ccc(Br)cc1C#N	ZINC000593577667	672949593	/nfs/dbraw/zinc/94/95/93/672949593.db2.gz	GEOWQLJMNNCKQL-RYUDHWBXSA-N	1	1	350.260	2.414	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000289087011	672988315	/nfs/dbraw/zinc/98/83/15/672988315.db2.gz	GKVKQXTWOJXTTD-XJKSGUPXSA-N	1	1	358.866	2.415	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000289087011	672988316	/nfs/dbraw/zinc/98/83/16/672988316.db2.gz	GKVKQXTWOJXTTD-XJKSGUPXSA-N	1	1	358.866	2.415	20	30		FEEDMO
CC[C@@H](CC#N)[NH2+]CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	ZINC000594009481	673019898	/nfs/dbraw/zinc/01/98/98/673019898.db2.gz	VBURDJNCXRGDRO-AWEZNQCLSA-N	1	1	366.868	2.405	20	30		FEEDMO
C[C@@H](NC1(CNC(=[NH2+])N2CCSCC2)CCOCC1)c1ccccc1	ZINC000304736875	673020239	/nfs/dbraw/zinc/02/02/39/673020239.db2.gz	AEZZKBUZUWBIOK-MRXNPFEDSA-N	1	1	362.543	2.250	20	30		FEEDMO
N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000310836174	673026222	/nfs/dbraw/zinc/02/62/22/673026222.db2.gz	ZVFCRJYOPDIHFG-OAHLLOKOSA-N	1	1	359.426	2.250	20	30		FEEDMO
N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000310836174	673026227	/nfs/dbraw/zinc/02/62/27/673026227.db2.gz	ZVFCRJYOPDIHFG-OAHLLOKOSA-N	1	1	359.426	2.250	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)[N@H+](C)C1	ZINC000328948685	673069660	/nfs/dbraw/zinc/06/96/60/673069660.db2.gz	BVKGFNJZJJCKCK-TUUVXOQKSA-N	1	1	370.494	2.040	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2csc(C)n2)[N@@H+](C)C1	ZINC000328948685	673069662	/nfs/dbraw/zinc/06/96/62/673069662.db2.gz	BVKGFNJZJJCKCK-TUUVXOQKSA-N	1	1	370.494	2.040	20	30		FEEDMO
O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC1CCCCCC1	ZINC000329252932	673074381	/nfs/dbraw/zinc/07/43/81/673074381.db2.gz	YVXGSGDCRXRPMY-QGZVFWFLSA-N	1	1	351.491	2.379	20	30		FEEDMO
O=C(NCCc1cc(Cl)c2c(c1)OCCO2)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000329303845	673075389	/nfs/dbraw/zinc/07/53/89/673075389.db2.gz	ODDRNIDGUROEFX-ZDUSSCGKSA-N	1	1	365.861	2.394	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000594789779	673143461	/nfs/dbraw/zinc/14/34/61/673143461.db2.gz	KRZWMFOXJCXYSF-AWEZNQCLSA-N	1	1	353.463	2.237	20	30		FEEDMO
Cn1cc(C[C@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)cn1	ZINC000370234998	673149413	/nfs/dbraw/zinc/14/94/13/673149413.db2.gz	BSFSCNZWRLWMAB-CJNGLKHVSA-N	1	1	355.467	2.023	20	30		FEEDMO
Cn1cc(C[C@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)cn1	ZINC000370234998	673149414	/nfs/dbraw/zinc/14/94/14/673149414.db2.gz	BSFSCNZWRLWMAB-CJNGLKHVSA-N	1	1	355.467	2.023	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)c(F)c1	ZINC000594854420	673164956	/nfs/dbraw/zinc/16/49/56/673164956.db2.gz	JYJCEFPIFATNNX-AWEZNQCLSA-N	1	1	351.447	2.383	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1nnn(-c2ccccc2Cl)c1C	ZINC000729811783	673249146	/nfs/dbraw/zinc/24/91/46/673249146.db2.gz	CEKYZLCILBBWOK-AWEZNQCLSA-N	1	1	358.829	2.484	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1nnn(-c2ccccc2Cl)c1C	ZINC000729811783	673249149	/nfs/dbraw/zinc/24/91/49/673249149.db2.gz	CEKYZLCILBBWOK-AWEZNQCLSA-N	1	1	358.829	2.484	20	30		FEEDMO
CO[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595660952	673279610	/nfs/dbraw/zinc/27/96/10/673279610.db2.gz	HAIMDWXRMAUSHN-YVEFUNNKSA-N	1	1	351.834	2.012	20	30		FEEDMO
CO[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595660952	673279611	/nfs/dbraw/zinc/27/96/11/673279611.db2.gz	HAIMDWXRMAUSHN-YVEFUNNKSA-N	1	1	351.834	2.012	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595661487	673280117	/nfs/dbraw/zinc/28/01/17/673280117.db2.gz	CEMNPUKDUMMGCP-CQSZACIVSA-N	1	1	361.515	2.324	20	30		FEEDMO
CO[C@]1(CO)CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000595664450	673280555	/nfs/dbraw/zinc/28/05/55/673280555.db2.gz	YQVIFOIAHDHUGH-GOSISDBHSA-N	1	1	365.861	2.060	20	30		FEEDMO
CO[C@]1(CO)CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000595664450	673280556	/nfs/dbraw/zinc/28/05/56/673280556.db2.gz	YQVIFOIAHDHUGH-GOSISDBHSA-N	1	1	365.861	2.060	20	30		FEEDMO
C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H]1CCc2ccccc21	ZINC000595878329	673333588	/nfs/dbraw/zinc/33/35/88/673333588.db2.gz	NDYPVQUSBCQKLB-QGZVFWFLSA-N	1	1	355.463	2.389	20	30		FEEDMO
C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H]1CCc2ccccc21	ZINC000595878329	673333593	/nfs/dbraw/zinc/33/35/93/673333593.db2.gz	NDYPVQUSBCQKLB-QGZVFWFLSA-N	1	1	355.463	2.389	20	30		FEEDMO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1	ZINC000597862261	673513810	/nfs/dbraw/zinc/51/38/10/673513810.db2.gz	YTIPLGCRKLJZQV-LIRRHRJNSA-N	1	1	351.491	2.485	20	30		FEEDMO
C[C@@H](C(=O)OC(C)(C)C)[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000599437204	673675549	/nfs/dbraw/zinc/67/55/49/673675549.db2.gz	PLDIFBZXHHSUCW-HOCLYGCPSA-N	1	1	352.475	2.252	20	30		FEEDMO
C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000599437204	673675551	/nfs/dbraw/zinc/67/55/51/673675551.db2.gz	PLDIFBZXHHSUCW-HOCLYGCPSA-N	1	1	352.475	2.252	20	30		FEEDMO
C[C@H]1CC(=NNS(=O)(=O)c2ccc(Br)cc2)CC[N@H+]1C	ZINC000741451260	673687308	/nfs/dbraw/zinc/68/73/08/673687308.db2.gz	FAMXROAQBWNWLY-JTQLQIEISA-N	1	1	360.277	2.198	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1	ZINC000599939043	673729137	/nfs/dbraw/zinc/72/91/37/673729137.db2.gz	GBZMWRQCQBHSBH-HUUCEWRRSA-N	1	1	355.463	2.363	20	30		FEEDMO
Cc1ccccc1C1CC(=NNC(=S)NCCC[NH+]2CCOCC2)C1	ZINC000743425325	673759461	/nfs/dbraw/zinc/75/94/61/673759461.db2.gz	XDGGZVLAGDGMSY-UHFFFAOYSA-N	1	1	360.527	2.415	20	30		FEEDMO
C[C@](O)(C[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1)C1CC1	ZINC000600846192	673803308	/nfs/dbraw/zinc/80/33/08/673803308.db2.gz	NESVHYCGQAEDLY-APWZRJJASA-N	1	1	363.889	2.246	20	30		FEEDMO
N#Cc1cc(Br)ccc1N1CC[NH+](CCc2cnccn2)CC1	ZINC000601253433	673835849	/nfs/dbraw/zinc/83/58/49/673835849.db2.gz	NBBOLLNIVFCCIA-UHFFFAOYSA-N	1	1	372.270	2.475	20	30		FEEDMO
N#CCc1ccccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1	ZINC000601344061	673845713	/nfs/dbraw/zinc/84/57/13/673845713.db2.gz	SJLBVMNQMNVENW-QGZVFWFLSA-N	1	1	359.426	2.227	20	30		FEEDMO
N#CCc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000601376657	673851602	/nfs/dbraw/zinc/85/16/02/673851602.db2.gz	NMOQYQPZJIVRAJ-SJLPKXTDSA-N	1	1	359.495	2.390	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1	ZINC000601462402	673866777	/nfs/dbraw/zinc/86/67/77/673866777.db2.gz	ZOOOLXFXNMXLCZ-CYBMUJFWSA-N	1	1	353.463	2.405	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CSc1nc(-c2cccc(C)c2)no1	ZINC000818588924	675226125	/nfs/dbraw/zinc/22/61/25/675226125.db2.gz	JOMOCDKJFHDXGF-UHFFFAOYSA-N	1	1	358.467	2.208	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)nn1	ZINC000567692800	675313327	/nfs/dbraw/zinc/31/33/27/675313327.db2.gz	DCYBTFNAGHIARQ-CYBMUJFWSA-N	1	1	356.348	2.012	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2ccc(OC)c(OC)c2Cl)CC1	ZINC000822934372	675517480	/nfs/dbraw/zinc/51/74/80/675517480.db2.gz	BVVRLGOYJFEZBM-UHFFFAOYSA-N	1	1	350.846	2.067	20	30		FEEDMO
O=C(C#Cc1cccs1)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000825405182	675651420	/nfs/dbraw/zinc/65/14/20/675651420.db2.gz	KXEYYBCQDPIQKZ-UHFFFAOYSA-N	1	1	360.401	2.213	20	30		FEEDMO
COC1(CO)CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1	ZINC000618550953	676344091	/nfs/dbraw/zinc/34/40/91/676344091.db2.gz	FAFSWPDCIGOZHV-UHFFFAOYSA-N	1	1	365.861	2.060	20	30		FEEDMO
N#CCc1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1	ZINC000619473510	676378962	/nfs/dbraw/zinc/37/89/62/676378962.db2.gz	DREKFRCYPWFMTP-GOSISDBHSA-N	1	1	355.463	2.305	20	30		FEEDMO
N#CCc1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000619473510	676378965	/nfs/dbraw/zinc/37/89/65/676378965.db2.gz	DREKFRCYPWFMTP-GOSISDBHSA-N	1	1	355.463	2.305	20	30		FEEDMO
N#CCc1ccccc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000619572266	676385598	/nfs/dbraw/zinc/38/55/98/676385598.db2.gz	USOMJZMTAPVZIN-GOSISDBHSA-N	1	1	355.463	2.305	20	30		FEEDMO
N#CCc1ccccc1S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000619572266	676385600	/nfs/dbraw/zinc/38/56/00/676385600.db2.gz	USOMJZMTAPVZIN-GOSISDBHSA-N	1	1	355.463	2.305	20	30		FEEDMO
O=C(Nc1cccc(C#Cc2cccs2)c1)[C@H]1C[N@H+]2CCN1CCC2	ZINC000677854064	679701129	/nfs/dbraw/zinc/70/11/29/679701129.db2.gz	SKBDPNRGGCZJAL-LJQANCHMSA-N	1	1	351.475	2.476	20	30		FEEDMO
Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2ccc(Cl)cc2)cn1	ZINC000639972166	677170385	/nfs/dbraw/zinc/17/03/85/677170385.db2.gz	NKFMLMHVEGXBFR-SFHVURJKSA-N	1	1	356.857	2.319	20	30		FEEDMO
Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2ccc(Cl)cc2)cn1	ZINC000639972166	677170386	/nfs/dbraw/zinc/17/03/86/677170386.db2.gz	NKFMLMHVEGXBFR-SFHVURJKSA-N	1	1	356.857	2.319	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccccc1N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000641406273	677204732	/nfs/dbraw/zinc/20/47/32/677204732.db2.gz	OOILOUFGLHBKQD-INIZCTEOSA-N	1	1	351.516	2.319	20	30		FEEDMO
C=C(C)[C@@H](NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccc(F)c(F)c1	ZINC000654534750	677587019	/nfs/dbraw/zinc/58/70/19/677587019.db2.gz	OYSTVHIHTDMEQD-JJRVBVJISA-N	1	1	351.397	2.042	20	30		FEEDMO
C=CCN1CC[C@@H]([NH+]2CCN(c3ccc(Br)cc3)CC2)C1=O	ZINC000661575796	678505310	/nfs/dbraw/zinc/50/53/10/678505310.db2.gz	BTEGFGWJVYIWKJ-MRXNPFEDSA-N	1	1	364.287	2.358	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000661597636	678508862	/nfs/dbraw/zinc/50/88/62/678508862.db2.gz	MBZWBZZHMUGTNA-UXLLHSPISA-N	1	1	361.511	2.252	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1	ZINC000747823121	679905126	/nfs/dbraw/zinc/90/51/26/679905126.db2.gz	LHVLQRIUTWGOKZ-UHFFFAOYSA-N	1	1	368.264	2.393	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](CC2CCOCC2)CC1(C)C	ZINC000974588220	679960539	/nfs/dbraw/zinc/96/05/39/679960539.db2.gz	OQDJEJCKPKHDGF-SQNIBIBYSA-N	1	1	350.503	2.221	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)CC[N@H+]1C	ZINC001014475087	680038473	/nfs/dbraw/zinc/03/84/73/680038473.db2.gz	KQVYRQIRVUYVQH-ATZDWAIDSA-N	1	1	359.901	2.222	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2csc(Cl)n2)C1	ZINC001018862675	680084220	/nfs/dbraw/zinc/08/42/20/680084220.db2.gz	HTMHCIHEGQFOGP-YUTCNCBUSA-N	1	1	355.891	2.468	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(CCC)s2)C1	ZINC001019500385	680094854	/nfs/dbraw/zinc/09/48/54/680094854.db2.gz	ULJOHBLUZDKGJB-ZQIUZPCESA-N	1	1	364.515	2.162	20	30		FEEDMO
C=CCC[C@H]1CCCN1C(=O)NC1CC[NH+](CC(=O)NCCC)CC1	ZINC000912013665	685299178	/nfs/dbraw/zinc/29/91/78/685299178.db2.gz	YEDRYMGBIKOATB-KRWDZBQOSA-N	1	1	350.507	2.117	20	30		FEEDMO
C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3c3ccncc3)[C@@H]2C1	ZINC000978181227	680171135	/nfs/dbraw/zinc/17/11/35/680171135.db2.gz	NUQRBACUXSLABH-DZVNLGKHSA-N	1	1	361.873	2.206	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C1	ZINC000751476322	680180818	/nfs/dbraw/zinc/18/08/18/680180818.db2.gz	RLNSXOBTMPNNJG-CQSZACIVSA-N	1	1	351.447	2.050	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(OC)ns2)C1	ZINC001023599363	680265156	/nfs/dbraw/zinc/26/51/56/680265156.db2.gz	ILXWZWDUGXAQTM-BMFZPTHFSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cc(OC)ns2)C1	ZINC001023599363	680265158	/nfs/dbraw/zinc/26/51/58/680265158.db2.gz	ILXWZWDUGXAQTM-BMFZPTHFSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H](C)COC)C2	ZINC000982061406	680265489	/nfs/dbraw/zinc/26/54/89/680265489.db2.gz	TXKUMHDVIPZDSP-SQNIBIBYSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2scnc2C)C1	ZINC001028548451	680373171	/nfs/dbraw/zinc/37/31/71/680373171.db2.gz	AQTZNXPQNXSNOE-BBWFWOEESA-N	1	1	363.527	2.413	20	30		FEEDMO
C=C(C)CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC000998046863	680373401	/nfs/dbraw/zinc/37/34/01/680373401.db2.gz	PFDGTFFQCUGVKT-CEXWTWQISA-N	1	1	351.535	2.375	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnc(Cl)s2)C1	ZINC001028810139	680383174	/nfs/dbraw/zinc/38/31/74/680383174.db2.gz	XXQGWGGLSMIYAU-YUTCNCBUSA-N	1	1	355.891	2.326	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnc(Cl)s2)C1	ZINC001028810139	680383178	/nfs/dbraw/zinc/38/31/78/680383178.db2.gz	XXQGWGGLSMIYAU-YUTCNCBUSA-N	1	1	355.891	2.326	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCOC2CCC2)C1	ZINC001028856015	680385229	/nfs/dbraw/zinc/38/52/29/680385229.db2.gz	UPIZHIFHSKRKCV-NEWSRXKRSA-N	1	1	350.503	2.365	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1	ZINC000754994072	680393211	/nfs/dbraw/zinc/39/32/11/680393211.db2.gz	VFOGFBCOKLPNGX-UHFFFAOYSA-N	1	1	360.255	2.282	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(CC)s2)C1	ZINC000999537656	680405748	/nfs/dbraw/zinc/40/57/48/680405748.db2.gz	BABFHJJXTFVOCO-QKRUXVEJSA-N	1	1	364.515	2.161	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3CCC)nn2)C1	ZINC001000022304	680417750	/nfs/dbraw/zinc/41/77/50/680417750.db2.gz	VADDXAHOIFPZCT-FVQBIDKESA-N	1	1	351.882	2.330	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3CCC)nn2)C1	ZINC001000022304	680417754	/nfs/dbraw/zinc/41/77/54/680417754.db2.gz	VADDXAHOIFPZCT-FVQBIDKESA-N	1	1	351.882	2.330	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](CC2CCOCC2)C1	ZINC001033837295	680425926	/nfs/dbraw/zinc/42/59/26/680425926.db2.gz	MKXZETYAQBQIGS-OTWHNJEPSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1	ZINC001034664906	680437546	/nfs/dbraw/zinc/43/75/46/680437546.db2.gz	VSRBLVJGONCOOI-AAVRWANBSA-N	1	1	367.291	2.439	20	30		FEEDMO
C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)CC2	ZINC001035209586	680443972	/nfs/dbraw/zinc/44/39/72/680443972.db2.gz	OATPQSCITVGUBR-YESZJQIVSA-N	1	1	368.905	2.105	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)Cc2snnc2C)CC1	ZINC000985695511	680471469	/nfs/dbraw/zinc/47/14/69/680471469.db2.gz	XIKBCMCYCZZSJA-RDJZCZTQSA-N	1	1	364.515	2.251	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl	ZINC000836488715	680476338	/nfs/dbraw/zinc/47/63/38/680476338.db2.gz	MCEPVBAAJMLNLF-AWEZNQCLSA-N	1	1	358.269	2.281	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1c(Cl)cccc1-n1ccnc1	ZINC000836491322	680477006	/nfs/dbraw/zinc/47/70/06/680477006.db2.gz	QINRIWJQRJJXKX-UHFFFAOYSA-N	1	1	359.861	2.280	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1	ZINC000986129131	680496281	/nfs/dbraw/zinc/49/62/81/680496281.db2.gz	CGKHVVQGGGCWNW-OAGGEKHMSA-N	1	1	367.921	2.024	20	30		FEEDMO
Cc1cc(CN=Nc2ccncc2Cl)c(C)n1CC[NH+]1CCOCC1	ZINC000756842420	680501399	/nfs/dbraw/zinc/50/13/99/680501399.db2.gz	QZRNRTHFKGTKPX-UHFFFAOYSA-N	1	1	361.877	2.353	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1	ZINC001041703259	680509290	/nfs/dbraw/zinc/50/92/90/680509290.db2.gz	DWMSLNAMTWIBBW-AIANPOQGSA-N	1	1	369.303	2.387	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1	ZINC001041703259	680509293	/nfs/dbraw/zinc/50/92/93/680509293.db2.gz	DWMSLNAMTWIBBW-AIANPOQGSA-N	1	1	369.303	2.387	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1Nc1nc(Cl)c(C#N)s1	ZINC001043585000	680589684	/nfs/dbraw/zinc/58/96/84/680589684.db2.gz	HOPQPWPOGUTLFY-ZYHUDNBSSA-N	1	1	367.906	2.411	20	30		FEEDMO
C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)CC2)C1	ZINC001046068777	680643470	/nfs/dbraw/zinc/64/34/70/680643470.db2.gz	TUQJBKHBWKGQFL-KZNAEPCWSA-N	1	1	357.523	2.012	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCC2CCCCC2)C[C@@H]1O	ZINC001047533372	680665296	/nfs/dbraw/zinc/66/52/96/680665296.db2.gz	LQJQGWLRNKRIKR-XWSJACJDSA-N	1	1	350.503	2.051	20	30		FEEDMO
N#Cc1ccc2c(c1)CCC[C@H]2NC(=S)NCCC[NH+]1CCOCC1	ZINC000841484394	680886388	/nfs/dbraw/zinc/88/63/88/680886388.db2.gz	FVWBXDQIHNKSRA-GOSISDBHSA-N	1	1	358.511	2.122	20	30		FEEDMO
C[C@H](O)CN(C)[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1	ZINC000841651378	680904542	/nfs/dbraw/zinc/90/45/42/680904542.db2.gz	GGRSZGJNSUMFQB-AWEZNQCLSA-N	1	1	360.483	2.293	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)[C@]23C[C@H]2COC3)s1	ZINC001049492395	681033314	/nfs/dbraw/zinc/03/33/14/681033314.db2.gz	UNQNKYYFNPWQSM-CZANMRCUSA-N	1	1	357.479	2.222	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1c1nc(Cl)c(C#N)s1	ZINC001050454891	681048430	/nfs/dbraw/zinc/04/84/30/681048430.db2.gz	PZRIXRDWNKTKBN-UTUOFQBUSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000844372652	681054501	/nfs/dbraw/zinc/05/45/01/681054501.db2.gz	BIOIBQKCKLLDDQ-FZKQIMNGSA-N	1	1	365.861	2.024	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000844372652	681054503	/nfs/dbraw/zinc/05/45/03/681054503.db2.gz	BIOIBQKCKLLDDQ-FZKQIMNGSA-N	1	1	365.861	2.024	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC1CC(C)(C)C1	ZINC001051154330	681064296	/nfs/dbraw/zinc/06/42/96/681064296.db2.gz	DGJYMVAAVURELC-BZSNNMDCSA-N	1	1	350.503	2.221	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1CC1CC(C)(C)C1	ZINC001051154330	681064299	/nfs/dbraw/zinc/06/42/99/681064299.db2.gz	DGJYMVAAVURELC-BZSNNMDCSA-N	1	1	350.503	2.221	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cnns2)CC1	ZINC001052778931	681086235	/nfs/dbraw/zinc/08/62/35/681086235.db2.gz	UDKXCAYZWZJOKD-XIRDDKMYSA-N	1	1	364.515	2.380	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cnns2)CC1	ZINC001052778931	681086236	/nfs/dbraw/zinc/08/62/36/681086236.db2.gz	UDKXCAYZWZJOKD-XIRDDKMYSA-N	1	1	364.515	2.380	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNc1nc(Cl)c(C#N)s1	ZINC001054405933	681107372	/nfs/dbraw/zinc/10/73/72/681107372.db2.gz	AFTGJGICLBPVSO-GRYCIOLGSA-N	1	1	367.906	2.126	20	30		FEEDMO
Cc1nsc(NC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C)c1C#N	ZINC001054571907	681113447	/nfs/dbraw/zinc/11/34/47/681113447.db2.gz	QSOFRRUPQDMGOS-UMVBOHGHSA-N	1	1	361.515	2.314	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)c3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001057052936	681158438	/nfs/dbraw/zinc/15/84/38/681158438.db2.gz	SIUYJTIPOLVGET-IJLUTSLNSA-N	1	1	367.906	2.045	20	30		FEEDMO
N#Cc1cc(NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)c(F)cc1F	ZINC000932209955	681196838	/nfs/dbraw/zinc/19/68/38/681196838.db2.gz	JOQHTNJLFKWBCI-CYBMUJFWSA-N	1	1	350.369	2.211	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(OC)ccc2Cl)CC1	ZINC000846293342	681221613	/nfs/dbraw/zinc/22/16/13/681221613.db2.gz	PEANXUSSBNYXBZ-KRWDZBQOSA-N	1	1	361.873	2.095	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(OC)ccc2Cl)CC1	ZINC000846293342	681221619	/nfs/dbraw/zinc/22/16/19/681221619.db2.gz	PEANXUSSBNYXBZ-KRWDZBQOSA-N	1	1	361.873	2.095	20	30		FEEDMO
C#CC[N@@H+](Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)C(C)C	ZINC000932389940	681239699	/nfs/dbraw/zinc/23/96/99/681239699.db2.gz	DOTICVJIHUXSOG-UHFFFAOYSA-N	1	1	362.499	2.150	20	30		FEEDMO
C#CC[N@H+](Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC)C(C)C	ZINC000932389940	681239701	/nfs/dbraw/zinc/23/97/01/681239701.db2.gz	DOTICVJIHUXSOG-UHFFFAOYSA-N	1	1	362.499	2.150	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](CC)OC)C[C@H]2CC1	ZINC000946787912	681261079	/nfs/dbraw/zinc/26/10/79/681261079.db2.gz	GJSWMWFKUGUVGL-ZRSRNVLSSA-N	1	1	350.503	2.173	20	30		FEEDMO
COC(=O)c1cnc([C@H]2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)s1	ZINC000932670201	681282567	/nfs/dbraw/zinc/28/25/67/681282567.db2.gz	VYCZUTSDZLABCB-GJZGRUSLSA-N	1	1	357.435	2.324	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1ccc(Br)c(C)c1)[C@H]1CCCO1	ZINC000775786664	681335067	/nfs/dbraw/zinc/33/50/67/681335067.db2.gz	ZJUJXEPUQSRZIK-LSDHHAIUSA-N	1	1	351.244	2.466	20	30		FEEDMO
C[N@H+]1CCC[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000847448358	681380467	/nfs/dbraw/zinc/38/04/67/681380467.db2.gz	OZMKPHQHJUQQCW-GJZGRUSLSA-N	1	1	352.479	2.174	20	30		FEEDMO
COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+](C)Cc1cc(C#N)cs1	ZINC000933774346	681467070	/nfs/dbraw/zinc/46/70/70/681467070.db2.gz	OIVYYAKHWHEMHQ-VIZOYTHASA-N	1	1	365.480	2.031	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+]([C@@H](C)CCC#N)CC12CN(C(=O)OC(C)(C)C)C2	ZINC000934052946	681501820	/nfs/dbraw/zinc/50/18/20/681501820.db2.gz	VGPBCYFWKJGQMD-KBPBESRZSA-N	1	1	351.447	2.021	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1	ZINC000934263055	681538098	/nfs/dbraw/zinc/53/80/98/681538098.db2.gz	ARBLDAYGQVMBAN-IRXDYDNUSA-N	1	1	364.287	2.352	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(-c2nc(C)cs2)cc1	ZINC000848456204	681549184	/nfs/dbraw/zinc/54/91/84/681549184.db2.gz	CCXLUPAVEWIZKH-UHFFFAOYSA-N	1	1	363.508	2.352	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@]13CCC[C@H]1OCC3)CCO2	ZINC000949137821	681620157	/nfs/dbraw/zinc/62/01/57/681620157.db2.gz	MIZITAUYRNREFE-APWZRJJASA-N	1	1	368.905	2.392	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC	ZINC000950256086	681681108	/nfs/dbraw/zinc/68/11/08/681681108.db2.gz	SSPKIAQIDVWSSF-QLFBSQMISA-N	1	1	355.910	2.213	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21	ZINC000914267246	685501680	/nfs/dbraw/zinc/50/16/80/685501680.db2.gz	HCDMMBQCSPRMCR-HKUYNNGSSA-N	1	1	361.511	2.421	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1	ZINC000940287794	682046146	/nfs/dbraw/zinc/04/61/46/682046146.db2.gz	NFOXYDRDACXPPF-UMVBOHGHSA-N	1	1	355.910	2.213	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCc1c[nH+]c2n1CCCC2	ZINC000915367087	685514720	/nfs/dbraw/zinc/51/47/20/685514720.db2.gz	VOILOFWJEKIQCI-UHFFFAOYSA-N	1	1	358.467	2.328	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(O)ccc3Cl)C[C@H]21	ZINC000961812265	682099881	/nfs/dbraw/zinc/09/98/81/682099881.db2.gz	FAHOIPASZGKHCM-YONAWACDSA-N	1	1	362.857	2.183	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cc(O)ccc3Cl)C[C@H]21	ZINC000961812265	682099891	/nfs/dbraw/zinc/09/98/91/682099891.db2.gz	FAHOIPASZGKHCM-YONAWACDSA-N	1	1	362.857	2.183	20	30		FEEDMO
CSc1ccc(C(C)=NNC(=S)NCCC[NH+]2CCOCC2)cc1	ZINC000916309736	685523492	/nfs/dbraw/zinc/52/34/92/685523492.db2.gz	GLRPRIZIDIQXKQ-UHFFFAOYSA-N	1	1	366.556	2.319	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=S)NCCC[NH+]1CCOCC1	ZINC000917594449	685533218	/nfs/dbraw/zinc/53/32/18/685533218.db2.gz	SMOKMLNAEGNKKT-UHFFFAOYSA-N	1	1	363.527	2.280	20	30		FEEDMO
C[C@@H](CCC#N)[NH+]1CCC(n2nncc2I)CC1	ZINC000852532364	682296839	/nfs/dbraw/zinc/29/68/39/682296839.db2.gz	JCGTZZAQACWSTP-JTQLQIEISA-N	1	1	359.215	2.212	20	30		FEEDMO
COC(=O)N(C)CC[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000852570485	682301336	/nfs/dbraw/zinc/30/13/36/682301336.db2.gz	RPZMKNZNXUBYKS-UHFFFAOYSA-N	1	1	352.822	2.170	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)C1=O	ZINC000852604665	682307624	/nfs/dbraw/zinc/30/76/24/682307624.db2.gz	SPBQHEAIYBZZJM-PMPSAXMXSA-N	1	1	351.491	2.399	20	30		FEEDMO
C=C(Cl)CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1	ZINC000786332592	682368284	/nfs/dbraw/zinc/36/82/84/682368284.db2.gz	KRKMFRIHWANMIM-UHFFFAOYSA-N	1	1	374.666	2.318	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C	ZINC000786457359	682375781	/nfs/dbraw/zinc/37/57/81/682375781.db2.gz	OHUNPFWBAHDWTN-BZUAXINKSA-N	1	1	350.459	2.273	20	30		FEEDMO
C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)C1	ZINC000972387733	682412575	/nfs/dbraw/zinc/41/25/75/682412575.db2.gz	WPSDKWZEZOGJTA-BJLQDIEVSA-N	1	1	350.503	2.317	20	30		FEEDMO
C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000788677197	682549696	/nfs/dbraw/zinc/54/96/96/682549696.db2.gz	QUMCBUSATRRISQ-NSHDSACASA-N	1	1	372.288	2.083	20	30		FEEDMO
C[NH+]1CCN(N=Cc2cc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1	ZINC000792871981	682845960	/nfs/dbraw/zinc/84/59/60/682845960.db2.gz	YGEMAGFRAGSFGN-UHFFFAOYSA-N	1	1	351.451	2.016	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1=O	ZINC000799120030	683424587	/nfs/dbraw/zinc/42/45/87/683424587.db2.gz	RZDVEGCROYFKPH-CVEARBPZSA-N	1	1	351.491	2.352	20	30		FEEDMO
C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)CC1	ZINC000921438978	683468260	/nfs/dbraw/zinc/46/82/60/683468260.db2.gz	ODKPHTWYATYQGP-UHFFFAOYSA-N	1	1	359.451	2.026	20	30		FEEDMO
C=CCn1nnn(CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1=S	ZINC000799943609	683512993	/nfs/dbraw/zinc/51/29/93/683512993.db2.gz	UPWGYWKKZJCZQN-AWEZNQCLSA-N	1	1	359.503	2.365	20	30		FEEDMO
O=S1(=O)CCC[C@H](N[NH+]=Cc2c(Cl)cccc2N2CCCC2)C1	ZINC000863132406	683679712	/nfs/dbraw/zinc/67/97/12/683679712.db2.gz	CFLFMIOWIWCWHJ-ZDUSSCGKSA-N	1	1	355.891	2.441	20	30		FEEDMO
N#CC[C@@H](O)C[N@H+]1CC[C@H](Cc2cccc(I)c2)C1	ZINC000930603122	683758636	/nfs/dbraw/zinc/75/86/36/683758636.db2.gz	HSNMFCYEUJLRCS-UKRRQHHQSA-N	1	1	370.234	2.430	20	30		FEEDMO
C=C(Cl)C[C@H]1NC(=O)N(C[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1=O	ZINC000865313060	683966685	/nfs/dbraw/zinc/96/66/85/683966685.db2.gz	WIMACPCIASQBHB-GOEBONIOSA-N	1	1	363.845	2.333	20	30		FEEDMO
C=C(Cl)C[C@H]1NC(=O)N(C[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1=O	ZINC000865313060	683966687	/nfs/dbraw/zinc/96/66/87/683966687.db2.gz	WIMACPCIASQBHB-GOEBONIOSA-N	1	1	363.845	2.333	20	30		FEEDMO
C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cccc(C#N)c1O	ZINC000866240803	684085302	/nfs/dbraw/zinc/08/53/02/684085302.db2.gz	NQOJTSRSZXZSPT-ZDUSSCGKSA-N	1	1	359.451	2.365	20	30		FEEDMO
Cn1[nH]c(=O)c2c1C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2	ZINC000931195249	684238679	/nfs/dbraw/zinc/23/86/79/684238679.db2.gz	NOIWAVNLYVXPIY-UHFFFAOYSA-N	1	1	351.328	2.434	20	30		FEEDMO
Cn1[nH]c(=O)c2c1C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2	ZINC000931195249	684238684	/nfs/dbraw/zinc/23/86/84/684238684.db2.gz	NOIWAVNLYVXPIY-UHFFFAOYSA-N	1	1	351.328	2.434	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccnc(Br)c2C)C1	ZINC000931550220	684301748	/nfs/dbraw/zinc/30/17/48/684301748.db2.gz	UGLGRKYBANSFKY-LBPRGKRZSA-N	1	1	351.248	2.372	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccnc(Br)c2C)C1	ZINC000931550220	684301753	/nfs/dbraw/zinc/30/17/53/684301753.db2.gz	UGLGRKYBANSFKY-LBPRGKRZSA-N	1	1	351.248	2.372	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)C1	ZINC000931578778	684306702	/nfs/dbraw/zinc/30/67/02/684306702.db2.gz	GLTASVBMEZHWTA-RYUDHWBXSA-N	1	1	360.405	2.452	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)C1	ZINC000931578778	684306703	/nfs/dbraw/zinc/30/67/03/684306703.db2.gz	GLTASVBMEZHWTA-RYUDHWBXSA-N	1	1	360.405	2.452	20	30		FEEDMO
N#Cc1sc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)nc1Cl	ZINC000931724481	684337154	/nfs/dbraw/zinc/33/71/54/684337154.db2.gz	HXANUVRTUZDOQR-JTQLQIEISA-N	1	1	355.851	2.043	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@@H+](CCCSCC#N)C2)C1	ZINC000931852282	684357314	/nfs/dbraw/zinc/35/73/14/684357314.db2.gz	OJCINNVFFKXUOC-KRWDZBQOSA-N	1	1	355.504	2.345	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C2)C1=O	ZINC000931958295	684375159	/nfs/dbraw/zinc/37/51/59/684375159.db2.gz	XJHICAUYHBHJCJ-OAGGEKHMSA-N	1	1	351.491	2.256	20	30		FEEDMO
C#CC[N@@H+](C)CCCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C1=O	ZINC000925312113	684549089	/nfs/dbraw/zinc/54/90/89/684549089.db2.gz	GMAPNZWWHZTNLM-AWEZNQCLSA-N	1	1	353.344	2.253	20	30		FEEDMO
C#CC[N@@H+](C)CCCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C1=O	ZINC000925314924	684549323	/nfs/dbraw/zinc/54/93/23/684549323.db2.gz	WGFQGORSJOFYGG-AWEZNQCLSA-N	1	1	353.344	2.253	20	30		FEEDMO
CC(C)(C)OC(=O)Nc1nc(C=NNCCC[NH+]2CCOCC2)cs1	ZINC000872372269	684941694	/nfs/dbraw/zinc/94/16/94/684941694.db2.gz	ZEDXPRMTTLDXAE-UHFFFAOYSA-N	1	1	369.491	2.136	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000875622170	686050671	/nfs/dbraw/zinc/05/06/71/686050671.db2.gz	FDGUYKCPFHLPIW-HNNXBMFYSA-N	1	1	352.360	2.416	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1	ZINC000876709281	686249839	/nfs/dbraw/zinc/24/98/39/686249839.db2.gz	NYODVIVEZBDYDY-SJORKVTESA-N	1	1	351.878	2.418	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1OC)N1CCCC1	ZINC000876711293	686250249	/nfs/dbraw/zinc/25/02/49/686250249.db2.gz	WABNLDLVSGBMID-JKSUJKDBSA-N	1	1	351.878	2.418	20	30		FEEDMO
N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1	ZINC000877565957	686410573	/nfs/dbraw/zinc/41/05/73/686410573.db2.gz	CEUJDKVUYDMCHQ-DGCLKSJQSA-N	1	1	372.778	2.449	20	30		FEEDMO
N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1	ZINC000877565957	686410576	/nfs/dbraw/zinc/41/05/76/686410576.db2.gz	CEUJDKVUYDMCHQ-DGCLKSJQSA-N	1	1	372.778	2.449	20	30		FEEDMO
Cn1nnnc1C1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000877780858	686455409	/nfs/dbraw/zinc/45/54/09/686455409.db2.gz	HVHWZPJGTUFMDG-UHFFFAOYSA-N	1	1	350.348	2.480	20	30		FEEDMO
CN(C[C@@H](O)C[N@@H+](C)Cc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C	ZINC000879081202	686733161	/nfs/dbraw/zinc/73/31/61/686733161.db2.gz	VNPIRQQKRZHGDA-HNNXBMFYSA-N	1	1	351.422	2.357	20	30		FEEDMO
COCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C1CCOCC1	ZINC000879710482	686893248	/nfs/dbraw/zinc/89/32/48/686893248.db2.gz	ZRCWOMMMSMKXJX-UHFFFAOYSA-N	1	1	351.472	2.303	20	30		FEEDMO
CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c(C#N)n2)C1	ZINC000883079969	687558540	/nfs/dbraw/zinc/55/85/40/687558540.db2.gz	LQVKJUZEXOLMOP-SNVBAGLBSA-N	1	1	352.236	2.179	20	30		FEEDMO
N#Cc1nc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1Br	ZINC000883080004	687558691	/nfs/dbraw/zinc/55/86/91/687558691.db2.gz	MWUWIUGBYVVAEY-WDEREUQCSA-N	1	1	364.247	2.464	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)N1CCO[C@](C)(C#N)C1)c1ccccc1Cl	ZINC000891551727	689076824	/nfs/dbraw/zinc/07/68/24/689076824.db2.gz	JLLOMKCHBDQUQP-DOTOQJQBSA-N	1	1	350.850	2.267	20	30		FEEDMO
N#Cc1csc(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000894516368	689545972	/nfs/dbraw/zinc/54/59/72/689545972.db2.gz	JDTHVTXFIOICHH-HNNXBMFYSA-N	1	1	355.467	2.336	20	30		FEEDMO
C[C@]1(NC(=O)NCc2nc(C#N)cs2)CC[N@@H+](Cc2ccccc2)C1	ZINC000897269402	689998004	/nfs/dbraw/zinc/99/80/04/689998004.db2.gz	DTCHAVNHVWBDKW-SFHVURJKSA-N	1	1	355.467	2.479	20	30		FEEDMO
CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1	ZINC000900609128	690538339	/nfs/dbraw/zinc/53/83/39/690538339.db2.gz	VPFCRSHGDDLOBZ-GOEBONIOSA-N	1	1	363.845	2.296	20	30		FEEDMO
CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1	ZINC000900609128	690538343	/nfs/dbraw/zinc/53/83/43/690538343.db2.gz	VPFCRSHGDDLOBZ-GOEBONIOSA-N	1	1	363.845	2.296	20	30		FEEDMO
CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)c1	ZINC000902759641	690805872	/nfs/dbraw/zinc/80/58/72/690805872.db2.gz	BDOBJOCILCFSDU-AWEZNQCLSA-N	1	1	358.467	2.491	20	30		FEEDMO
C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)c1cc(C#N)ccn1	ZINC000902978374	690826387	/nfs/dbraw/zinc/82/63/87/690826387.db2.gz	DKLVFHYMCSJAHS-CYBMUJFWSA-N	1	1	362.430	2.064	20	30		FEEDMO
CCOC(=O)[C@H]1[C@@H]([NH2+]CC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C	ZINC000903033505	690836412	/nfs/dbraw/zinc/83/64/12/690836412.db2.gz	WAXGVNCMUGRGRI-UONOGXRCSA-N	1	1	351.447	2.211	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906951253	691352440	/nfs/dbraw/zinc/35/24/40/691352440.db2.gz	ROINTWIILYBZEK-NVXWUHKLSA-N	1	1	362.499	2.228	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3c(C#N)sc4ccccc43)CC[C@H]21	ZINC000907319492	691451448	/nfs/dbraw/zinc/45/14/48/691451448.db2.gz	ZPRHJAPKZJIUAQ-GXTWGEPZSA-N	1	1	361.492	2.488	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)Nc2nc3cc(Br)cnc3[nH]2)CC1	ZINC000908466209	691684555	/nfs/dbraw/zinc/68/45/55/691684555.db2.gz	RFQWUNXKUXVSIP-UHFFFAOYSA-N	1	1	362.231	2.004	20	30		FEEDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)cnc1C#N)CC2	ZINC001164647924	719308533	/nfs/dbraw/zinc/30/85/33/719308533.db2.gz	OUAPXMFWJQCLOM-UHFFFAOYSA-N	1	1	359.865	2.403	20	30		FEEDMO
Cc1nc(C#N)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164839294	720586409	/nfs/dbraw/zinc/58/64/09/720586409.db2.gz	NDSMYJHYIGIUAS-BHIYHBOVSA-N	1	1	365.485	2.231	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)c(F)cc4C#N)C[C@H]3C2)cn1	ZINC001164771663	721074422	/nfs/dbraw/zinc/07/44/22/721074422.db2.gz	SSDBGVLUXBXRFE-DZGCQCFKSA-N	1	1	374.851	2.438	20	30		FEEDMO
N#Cc1cc2c(nc1N1C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C1)CCC2	ZINC001164791267	721426470	/nfs/dbraw/zinc/42/64/70/721426470.db2.gz	ZXXFQCNNONSYKT-HZPDHXFCSA-N	1	1	351.479	2.467	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2F)[C@@H]2CCCO[C@@H]12	ZINC001164809365	721568257	/nfs/dbraw/zinc/56/82/57/721568257.db2.gz	WPBDEDVNHIFLHV-GUDVDZBRSA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2F)[C@@H]2CCCO[C@@H]12	ZINC001164809365	721568259	/nfs/dbraw/zinc/56/82/59/721568259.db2.gz	WPBDEDVNHIFLHV-GUDVDZBRSA-N	1	1	367.428	2.356	20	30		FEEDMO
COc1nc(N2CC[NH+](CCOc3ccccc3)CC2)c(F)cc1C#N	ZINC001165044717	721959133	/nfs/dbraw/zinc/95/91/33/721959133.db2.gz	NEYYDOSSLSYEDE-UHFFFAOYSA-N	1	1	356.401	2.302	20	30		FEEDMO
Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1C#N	ZINC001164973143	722130031	/nfs/dbraw/zinc/13/00/31/722130031.db2.gz	BARRXMNAXZPOGE-PMACEKPBSA-N	1	1	363.465	2.384	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1	ZINC000549247593	674028296	/nfs/dbraw/zinc/02/82/96/674028296.db2.gz	VOPBLQDYRMGHJS-OAHLLOKOSA-N	1	1	364.858	2.188	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1	ZINC000008004288	539474672	/nfs/dbraw/zinc/47/46/72/539474672.db2.gz	VQGSUKPISYTXCJ-HXUWFJFHSA-N	1	1	356.470	2.392	20	30		FEEDMO
CCO[C@@H](C)c1nc(CN2CC[NH+](CCOCCC#N)CC2)cs1	ZINC000549859825	674067348	/nfs/dbraw/zinc/06/73/48/674067348.db2.gz	BOHMUSXRJCOBFM-HNNXBMFYSA-N	1	1	352.504	2.288	20	30		FEEDMO
N#Cc1ccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1	ZINC000025499869	539761205	/nfs/dbraw/zinc/76/12/05/539761205.db2.gz	HLHAWLQEHFRAOQ-QGZVFWFLSA-N	1	1	352.394	2.298	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1	ZINC000031557829	539910568	/nfs/dbraw/zinc/91/05/68/539910568.db2.gz	XWUUXFWRHKMSDW-HNNXBMFYSA-N	1	1	372.450	2.322	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1C(=O)NCc1ccco1	ZINC000031557829	539910573	/nfs/dbraw/zinc/91/05/73/539910573.db2.gz	XWUUXFWRHKMSDW-HNNXBMFYSA-N	1	1	372.450	2.322	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nc(N)cc(N)[nH+]1	ZINC000031821230	539921472	/nfs/dbraw/zinc/92/14/72/539921472.db2.gz	YZCLGWISSFZLPO-LLVKDONJSA-N	1	1	372.454	2.077	20	30		FEEDMO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1OC	ZINC000032269422	539933350	/nfs/dbraw/zinc/93/33/50/539933350.db2.gz	KOAZGNYGUVFTEC-QGZVFWFLSA-N	1	1	362.470	2.347	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1	ZINC000042003766	540044612	/nfs/dbraw/zinc/04/46/12/540044612.db2.gz	GPHGXIYNOQDTJM-UHFFFAOYSA-N	1	1	354.366	2.408	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1	ZINC000042003766	540044616	/nfs/dbraw/zinc/04/46/16/540044616.db2.gz	GPHGXIYNOQDTJM-UHFFFAOYSA-N	1	1	354.366	2.408	20	30		FEEDMO
CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H]1COc2ccccc2O1	ZINC000042979053	540084805	/nfs/dbraw/zinc/08/48/05/540084805.db2.gz	VZNKBCQTDGPKQV-INIZCTEOSA-N	1	1	357.454	2.491	20	30		FEEDMO
CC[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H]1COc2ccccc2O1	ZINC000042979053	540084808	/nfs/dbraw/zinc/08/48/08/540084808.db2.gz	VZNKBCQTDGPKQV-INIZCTEOSA-N	1	1	357.454	2.491	20	30		FEEDMO
C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046530131	540260960	/nfs/dbraw/zinc/26/09/60/540260960.db2.gz	BUWLZLWDFIQWNK-CRAIPNDOSA-N	1	1	365.433	2.335	20	30		FEEDMO
C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000046530131	540260962	/nfs/dbraw/zinc/26/09/62/540260962.db2.gz	BUWLZLWDFIQWNK-CRAIPNDOSA-N	1	1	365.433	2.335	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)C1	ZINC000046518665	540261488	/nfs/dbraw/zinc/26/14/88/540261488.db2.gz	WQUGZASJTRYFIM-CRAIPNDOSA-N	1	1	357.454	2.180	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)C1	ZINC000046518665	540261492	/nfs/dbraw/zinc/26/14/92/540261492.db2.gz	WQUGZASJTRYFIM-CRAIPNDOSA-N	1	1	357.454	2.180	20	30		FEEDMO
CN(C)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccn1	ZINC000047064432	540287957	/nfs/dbraw/zinc/28/79/57/540287957.db2.gz	XFNGWYPURFTTMD-UHFFFAOYSA-N	1	1	363.465	2.367	20	30		FEEDMO
CN(C)c1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccn1	ZINC000047064432	540287961	/nfs/dbraw/zinc/28/79/61/540287961.db2.gz	XFNGWYPURFTTMD-UHFFFAOYSA-N	1	1	363.465	2.367	20	30		FEEDMO
CC(=O)NC1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1	ZINC000050990420	540417406	/nfs/dbraw/zinc/41/74/06/540417406.db2.gz	WYIWTTGSKAUDHQ-UHFFFAOYSA-N	1	1	356.470	2.151	20	30		FEEDMO
C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000535545050	540482052	/nfs/dbraw/zinc/48/20/52/540482052.db2.gz	CAASBYZJQGKMRY-HOSILWTGSA-N	1	1	360.506	2.057	20	30		FEEDMO
CC(=O)NCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000052848923	540493500	/nfs/dbraw/zinc/49/35/00/540493500.db2.gz	DMCYRSAEAUNJQB-GFCCVEGCSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(OC)c(OC)c1	ZINC000053097418	540510989	/nfs/dbraw/zinc/51/09/89/540510989.db2.gz	VJGMSBCRLDQCHF-UHFFFAOYSA-N	1	1	358.442	2.182	20	30		FEEDMO
CC[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(OC)c(OC)c1	ZINC000053097418	540510992	/nfs/dbraw/zinc/51/09/92/540510992.db2.gz	VJGMSBCRLDQCHF-UHFFFAOYSA-N	1	1	358.442	2.182	20	30		FEEDMO
COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)c(OC)c1	ZINC000053099582	540511201	/nfs/dbraw/zinc/51/12/01/540511201.db2.gz	GSRDAKOYJLFVMG-GOSISDBHSA-N	1	1	370.453	2.497	20	30		FEEDMO
COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)c(OC)c1	ZINC000053099582	540511204	/nfs/dbraw/zinc/51/12/04/540511204.db2.gz	GSRDAKOYJLFVMG-GOSISDBHSA-N	1	1	370.453	2.497	20	30		FEEDMO
CC(=O)Nc1cccc2c1CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C2	ZINC000054391630	540587534	/nfs/dbraw/zinc/58/75/34/540587534.db2.gz	TVWSLIKGGRPPQH-SFHVURJKSA-N	1	1	365.433	2.315	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(=O)NC2CC2)CC1	ZINC000055913538	540686357	/nfs/dbraw/zinc/68/63/57/540686357.db2.gz	GRJRNAFIMUPVCQ-INIZCTEOSA-N	1	1	368.481	2.312	20	30		FEEDMO
C=CCOc1ccccc1C(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000056809708	540747255	/nfs/dbraw/zinc/74/72/55/540747255.db2.gz	JPIQQPLBHUZIFQ-UHFFFAOYSA-N	1	1	371.481	2.068	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](C)Cn1cc[nH+]c1C	ZINC000058944618	540861383	/nfs/dbraw/zinc/86/13/83/540861383.db2.gz	ANMCQGBCHHBPTE-AWEZNQCLSA-N	1	1	356.474	2.304	20	30		FEEDMO
CC(C)C[N@@H+](C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000065961491	541274805	/nfs/dbraw/zinc/27/48/05/541274805.db2.gz	NITXWVKWULIYNG-UHFFFAOYSA-N	1	1	371.441	2.043	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	ZINC000069500703	541691203	/nfs/dbraw/zinc/69/12/03/541691203.db2.gz	FAKDNDXNOUSMDV-MJGOQNOKSA-N	1	1	359.470	2.189	20	30		FEEDMO
N#CCSCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000072513499	541824798	/nfs/dbraw/zinc/82/47/98/541824798.db2.gz	KDWYXMXBEXBBBJ-UHFFFAOYSA-N	1	1	371.503	2.169	20	30		FEEDMO
CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000072776503	541864055	/nfs/dbraw/zinc/86/40/55/541864055.db2.gz	AUBNHCIYIRECTM-YJBOKZPZSA-N	1	1	373.501	2.404	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H](O)COCc1ccccc1	ZINC000074289092	542064378	/nfs/dbraw/zinc/06/43/78/542064378.db2.gz	STKVJCRBAXPWES-LJQANCHMSA-N	1	1	367.449	2.396	20	30		FEEDMO
C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000076734832	542318769	/nfs/dbraw/zinc/31/87/69/542318769.db2.gz	HJXWGDUPABNMJP-CQSZACIVSA-N	1	1	353.488	2.162	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1	ZINC000064995592	221163270	/nfs/dbraw/zinc/16/32/70/221163270.db2.gz	LNCQPIDYUXWXJN-GVDBMIGSSA-N	1	1	350.507	2.011	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc1	ZINC000079543693	542525991	/nfs/dbraw/zinc/52/59/91/542525991.db2.gz	YXKVALUQPUIGDL-UHFFFAOYSA-N	1	1	366.440	2.296	20	30		FEEDMO
CCO[C@@H](C)c1noc(CN2CCC[N@@H+](CCCSCC#N)CC2)n1	ZINC000080629393	542597714	/nfs/dbraw/zinc/59/77/14/542597714.db2.gz	KQKZDHRHHLKVNV-HNNXBMFYSA-N	1	1	367.519	2.322	20	30		FEEDMO
Cc1cc(N2CCC(N(C)C(=O)c3cc(C#N)cn3C)CC2)nc(C)[nH+]1	ZINC000081080559	542629002	/nfs/dbraw/zinc/62/90/02/542629002.db2.gz	XDKXTWYABDBJND-UHFFFAOYSA-N	1	1	352.442	2.045	20	30		FEEDMO
N#Cc1ccc(CN2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)cc1	ZINC000081112039	542633313	/nfs/dbraw/zinc/63/33/13/542633313.db2.gz	LHADWXJYUXRXHN-PMACEKPBSA-N	1	1	352.482	2.077	20	30		FEEDMO
CCN(C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1)CC(F)(F)F	ZINC000081558631	542664972	/nfs/dbraw/zinc/66/49/72/542664972.db2.gz	MSZDXOQEAIBIFW-HOCLYGCPSA-N	1	1	362.440	2.247	20	30		FEEDMO
CC(C)OCC[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000081639497	542670968	/nfs/dbraw/zinc/67/09/68/542670968.db2.gz	HLNNTXRFNNMPKI-IBGZPJMESA-N	1	1	372.513	2.364	20	30		FEEDMO
COc1cc(/C=C/C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCC#N	ZINC000247423267	549332802	/nfs/dbraw/zinc/33/28/02/549332802.db2.gz	OCYIDDPWPNRGEI-FJVHFBRSSA-N	1	1	357.454	2.409	20	30		FEEDMO
CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000098136897	543023221	/nfs/dbraw/zinc/02/32/21/543023221.db2.gz	YWIULKYQQKDJPU-KRWDZBQOSA-N	1	1	357.502	2.358	20	30		FEEDMO
CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000098136897	543023223	/nfs/dbraw/zinc/02/32/23/543023223.db2.gz	YWIULKYQQKDJPU-KRWDZBQOSA-N	1	1	357.502	2.358	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	ZINC000102400904	543068521	/nfs/dbraw/zinc/06/85/21/543068521.db2.gz	CIIRGKNSCHUOQP-HIFRSBDPSA-N	1	1	356.401	2.193	20	30		FEEDMO
CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000103476538	543110381	/nfs/dbraw/zinc/11/03/81/543110381.db2.gz	IKONLNPHNOEMBY-FUHWJXTLSA-N	1	1	364.453	2.155	20	30		FEEDMO
CCn1cnnc1[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000103476538	543110383	/nfs/dbraw/zinc/11/03/83/543110383.db2.gz	IKONLNPHNOEMBY-FUHWJXTLSA-N	1	1	364.453	2.155	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1	ZINC000104060654	543121601	/nfs/dbraw/zinc/12/16/01/543121601.db2.gz	RHXMEFYYTDITEG-LSDHHAIUSA-N	1	1	362.449	2.350	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CCO1	ZINC000106046122	543186944	/nfs/dbraw/zinc/18/69/44/543186944.db2.gz	ZROTUOPRJMTAOB-NVXWUHKLSA-N	1	1	367.371	2.192	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1	ZINC000106077205	543190436	/nfs/dbraw/zinc/19/04/36/543190436.db2.gz	YVIHEAMOHKSFJP-DLBZAZTESA-N	1	1	370.501	2.108	20	30		FEEDMO
C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCO[C@H](C#N)C2)C1	ZINC000106330812	543223584	/nfs/dbraw/zinc/22/35/84/543223584.db2.gz	CNHDIZUEJXLYGT-QFBILLFUSA-N	1	1	356.470	2.352	20	30		FEEDMO
C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(C#N)cn2)C[C@@H](C)O1	ZINC000107452216	543270858	/nfs/dbraw/zinc/27/08/58/543270858.db2.gz	OGOFUQYYJPEJPI-HZPDHXFCSA-N	1	1	364.449	2.492	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC([C@@H](O)c2ccccc2)CC1	ZINC000108814551	543304643	/nfs/dbraw/zinc/30/46/43/543304643.db2.gz	JUVVYFLNFHUEFO-FQEVSTJZSA-N	1	1	354.454	2.088	20	30		FEEDMO
COCC[N@@H+](C)CC[C@@H](NC(=O)C1(C#N)CCOCC1)c1ccccc1	ZINC000109142591	543315608	/nfs/dbraw/zinc/31/56/08/543315608.db2.gz	CNZDGKLPTSHJEH-GOSISDBHSA-N	1	1	359.470	2.133	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1	ZINC000110271291	543354246	/nfs/dbraw/zinc/35/42/46/543354246.db2.gz	LYLDVJJJSMXMEF-SFHVURJKSA-N	1	1	370.497	2.417	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1	ZINC000110271291	543354247	/nfs/dbraw/zinc/35/42/47/543354247.db2.gz	LYLDVJJJSMXMEF-SFHVURJKSA-N	1	1	370.497	2.417	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2ccc(OCC#N)cc2)cn1	ZINC000110640802	543364197	/nfs/dbraw/zinc/36/41/97/543364197.db2.gz	YRODEIQYNQSTSV-UHFFFAOYSA-N	1	1	361.405	2.337	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1	ZINC000111348247	543398129	/nfs/dbraw/zinc/39/81/29/543398129.db2.gz	UJTLMZGVOSNYDD-MRXNPFEDSA-N	1	1	357.479	2.498	20	30		FEEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC	ZINC000111865100	543421792	/nfs/dbraw/zinc/42/17/92/543421792.db2.gz	ZZJMWJAYEKBFDF-IBGZPJMESA-N	1	1	356.470	2.367	20	30		FEEDMO
CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000114187355	543506808	/nfs/dbraw/zinc/50/68/08/543506808.db2.gz	HFWMOGDSEMIHDR-QZTJIDSGSA-N	1	1	367.453	2.308	20	30		FEEDMO
CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000114187355	543506810	/nfs/dbraw/zinc/50/68/10/543506810.db2.gz	HFWMOGDSEMIHDR-QZTJIDSGSA-N	1	1	367.453	2.308	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)ccc1OCC#N	ZINC000247464235	549337577	/nfs/dbraw/zinc/33/75/77/549337577.db2.gz	RCMMYBSEVCJSMJ-LKEBIXNSSA-N	1	1	355.438	2.306	20	30		FEEDMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N[C@H](C)CC#N)c1	ZINC000122888335	543729949	/nfs/dbraw/zinc/72/99/49/543729949.db2.gz	AIXGNCCXMAYXMU-CQSZACIVSA-N	1	1	353.426	2.412	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCCNC(=O)Cc2ccc(OCC#N)cc2)C[C@H](C)O1	ZINC000123661047	543775946	/nfs/dbraw/zinc/77/59/46/543775946.db2.gz	QXSANXVRUZNKQF-CALCHBBNSA-N	1	1	359.470	2.137	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC[C@H]3CC(C)C)CC2)o1	ZINC000123649128	543775151	/nfs/dbraw/zinc/77/51/51/543775151.db2.gz	JFMROCIWTGNSKB-KRWDZBQOSA-N	1	1	373.501	2.404	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC(=O)NC3CC3)sc2C1	ZINC000126612493	543946814	/nfs/dbraw/zinc/94/68/14/543946814.db2.gz	YPOQBUMBCBQUKL-LBPRGKRZSA-N	1	1	374.510	2.284	20	30		FEEDMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1	ZINC000127460091	543994672	/nfs/dbraw/zinc/99/46/72/543994672.db2.gz	CDJFCFWXWHRQKG-HNNXBMFYSA-N	1	1	366.387	2.320	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000128635687	544063973	/nfs/dbraw/zinc/06/39/73/544063973.db2.gz	JKWKAUFVJCRFQI-UHFFFAOYSA-N	1	1	372.494	2.020	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000128910373	544080465	/nfs/dbraw/zinc/08/04/65/544080465.db2.gz	MFWGZKUNYGRVCH-IYBDPMFKSA-N	1	1	365.499	2.034	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000128910373	544080468	/nfs/dbraw/zinc/08/04/68/544080468.db2.gz	MFWGZKUNYGRVCH-IYBDPMFKSA-N	1	1	365.499	2.034	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O	ZINC000131560212	544195445	/nfs/dbraw/zinc/19/54/45/544195445.db2.gz	OWDFZCACMVDHMJ-MRXNPFEDSA-N	1	1	362.861	2.139	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH+]1CCN(c2cccc(O)c2)CC1	ZINC000132965259	544250207	/nfs/dbraw/zinc/25/02/07/544250207.db2.gz	QKNIXJQMJVTCNW-UHFFFAOYSA-N	1	1	353.422	2.473	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2C)c1	ZINC000133371903	544267253	/nfs/dbraw/zinc/26/72/53/544267253.db2.gz	CIUCZXRNVWTQJN-UHFFFAOYSA-N	1	1	356.426	2.244	20	30		FEEDMO
C=C(C)COCCNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000135016029	544331224	/nfs/dbraw/zinc/33/12/24/544331224.db2.gz	NSKDHSVMFLAGSY-SFHVURJKSA-N	1	1	360.502	2.089	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN2CCC[N@H+](C3CC3)CC2)c(OC)c1	ZINC000145738723	544435987	/nfs/dbraw/zinc/43/59/87/544435987.db2.gz	WCASJVXSFCOPMB-LJQANCHMSA-N	1	1	360.498	2.334	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCN(C3CC3)CC2)c(OC)c1	ZINC000145738723	544435993	/nfs/dbraw/zinc/43/59/93/544435993.db2.gz	WCASJVXSFCOPMB-LJQANCHMSA-N	1	1	360.498	2.334	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCN(C3CC3)CC2)c(OC)c1	ZINC000145738723	544435996	/nfs/dbraw/zinc/43/59/96/544435996.db2.gz	WCASJVXSFCOPMB-LJQANCHMSA-N	1	1	360.498	2.334	20	30		FEEDMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000151619930	544562974	/nfs/dbraw/zinc/56/29/74/544562974.db2.gz	GDLMILWLRRQKPE-INIZCTEOSA-N	1	1	366.387	2.320	20	30		FEEDMO
Cc1cc(-c2nnc(C[N@@H+](C)CCCc3[nH]nc(N)c3C#N)o2)c(C)o1	ZINC000153302366	544758608	/nfs/dbraw/zinc/75/86/08/544758608.db2.gz	KAOORGDXPUPOML-UHFFFAOYSA-N	1	1	355.402	2.188	20	30		FEEDMO
C[C@@H](NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1Cl	ZINC000153342831	544763749	/nfs/dbraw/zinc/76/37/49/544763749.db2.gz	FZZFHZVVWROHHJ-GFCCVEGCSA-N	1	1	374.876	2.259	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)c1	ZINC000153176381	544742683	/nfs/dbraw/zinc/74/26/83/544742683.db2.gz	CZGFQAHPRNWXCP-KXBFYZLASA-N	1	1	362.433	2.133	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)[N@@H+](C)C1CC1	ZINC000155185717	544998822	/nfs/dbraw/zinc/99/88/22/544998822.db2.gz	XGVJCPQNHNCFMQ-SNVBAGLBSA-N	1	1	372.288	2.082	20	30		FEEDMO
CCOc1ccc(C#N)cc1NCc1cnc(N2CC[NH+](C)CC2)nc1	ZINC000181420169	327729742	/nfs/dbraw/zinc/72/97/42/327729742.db2.gz	FFDPCISSUFATSU-UHFFFAOYSA-N	1	1	352.442	2.111	20	30		FEEDMO
CN(C)C(=O)CC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000182234357	327766846	/nfs/dbraw/zinc/76/68/46/327766846.db2.gz	ABWDXJLHDMEXRL-UHFFFAOYSA-N	1	1	353.426	2.299	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(Br)cc1C#N	ZINC000553888738	674292309	/nfs/dbraw/zinc/29/23/09/674292309.db2.gz	DPZTVPFNMSOLJW-UHFFFAOYSA-N	1	1	373.258	2.562	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000187671409	328038651	/nfs/dbraw/zinc/03/86/51/328038651.db2.gz	CGAKOFKNLPUXSC-YJBOKZPZSA-N	1	1	357.454	2.353	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000187671409	328038652	/nfs/dbraw/zinc/03/86/52/328038652.db2.gz	CGAKOFKNLPUXSC-YJBOKZPZSA-N	1	1	357.454	2.353	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3CCO)CC2)cc1	ZINC000188375274	328083274	/nfs/dbraw/zinc/08/32/74/328083274.db2.gz	OAQMYAZDCAOOBD-WOJBJXKFSA-N	1	1	370.497	2.327	20	30		FEEDMO
C[C@H](O)C[NH+]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1	ZINC000189753703	328166020	/nfs/dbraw/zinc/16/60/20/328166020.db2.gz	MXEISSSXAYOYMI-INIZCTEOSA-N	1	1	365.433	2.489	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccnc(C#N)c3)cc2)CC1	ZINC000192705442	328334371	/nfs/dbraw/zinc/33/43/71/328334371.db2.gz	OSXGAKLYHGPPRT-UHFFFAOYSA-N	1	1	363.465	2.021	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccnc(C#N)c3)c2)CCO1	ZINC000192901629	328345988	/nfs/dbraw/zinc/34/59/88/328345988.db2.gz	IHASONJHQQGHGD-HNNXBMFYSA-N	1	1	350.422	2.104	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccnc(C#N)c3)c2)CCO1	ZINC000192901629	328345989	/nfs/dbraw/zinc/34/59/89/328345989.db2.gz	IHASONJHQQGHGD-HNNXBMFYSA-N	1	1	350.422	2.104	20	30		FEEDMO
Cc1nnc(SCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)[nH]1	ZINC000080999838	325152813	/nfs/dbraw/zinc/15/28/13/325152813.db2.gz	QFYXSCDUJYLCTP-UHFFFAOYSA-N	1	1	372.498	2.057	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)N2CC[NH+](CCOC(C)C)CC2)c(C#N)c1C	ZINC000081637592	325190574	/nfs/dbraw/zinc/19/05/74/325190574.db2.gz	NZCUWQVUVFLTFA-OAHLLOKOSA-N	1	1	362.474	2.138	20	30		FEEDMO
CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000083538220	325218587	/nfs/dbraw/zinc/21/85/87/325218587.db2.gz	WWCUCBBBSAZEJX-LBPRGKRZSA-N	1	1	361.389	2.292	20	30		FEEDMO
CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000083538220	325218590	/nfs/dbraw/zinc/21/85/90/325218590.db2.gz	WWCUCBBBSAZEJX-LBPRGKRZSA-N	1	1	361.389	2.292	20	30		FEEDMO
Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089942634	325343979	/nfs/dbraw/zinc/34/39/79/325343979.db2.gz	UOWATGBEDDEAJL-HNNXBMFYSA-N	1	1	368.485	2.084	20	30		FEEDMO
N#Cc1ccc(OCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1	ZINC000118866574	326109670	/nfs/dbraw/zinc/10/96/70/326109670.db2.gz	ADMRUAZNKIHMGF-OAHLLOKOSA-N	1	1	353.382	2.427	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000119086703	326125674	/nfs/dbraw/zinc/12/56/74/326125674.db2.gz	VEHOECUPXKTYAS-UHFFFAOYSA-N	1	1	354.382	2.052	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000119097624	326127006	/nfs/dbraw/zinc/12/70/06/326127006.db2.gz	RLKMIYLTLOEUHS-UHFFFAOYSA-N	1	1	352.847	2.427	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000120748449	326284448	/nfs/dbraw/zinc/28/44/48/326284448.db2.gz	FUCOWQPIIGKWPQ-GASCZTMLSA-N	1	1	367.490	2.485	20	30		FEEDMO
CNC(=O)CC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000170792047	327099621	/nfs/dbraw/zinc/09/96/21/327099621.db2.gz	USDAWMKGFFPTQR-UHFFFAOYSA-N	1	1	362.499	2.285	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000173831734	327287371	/nfs/dbraw/zinc/28/73/71/327287371.db2.gz	XQYLXUVOCQYPMR-UONOGXRCSA-N	1	1	353.875	2.459	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000173831044	327287535	/nfs/dbraw/zinc/28/75/35/327287535.db2.gz	ORXJOHKHOOGZCY-ZIAGYGMSSA-N	1	1	353.875	2.459	20	30		FEEDMO
C[C@@H](NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccc(C#N)cc1	ZINC000264518203	329032069	/nfs/dbraw/zinc/03/20/69/329032069.db2.gz	HDTRKXGLXZHIQM-YLJYHZDGSA-N	1	1	369.513	2.431	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000265884917	329169463	/nfs/dbraw/zinc/16/94/63/329169463.db2.gz	ZQUZPUGLGUZAOD-KRWDZBQOSA-N	1	1	357.454	2.184	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000266503944	329230659	/nfs/dbraw/zinc/23/06/59/329230659.db2.gz	ZPVKEPAGNIJDJE-UHFFFAOYSA-N	1	1	359.474	2.057	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000266503944	329230661	/nfs/dbraw/zinc/23/06/61/329230661.db2.gz	ZPVKEPAGNIJDJE-UHFFFAOYSA-N	1	1	359.474	2.057	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1	ZINC000266929370	329273822	/nfs/dbraw/zinc/27/38/22/329273822.db2.gz	PKDMFJOVPPQYJR-CQSZACIVSA-N	1	1	374.441	2.058	20	30		FEEDMO
COCC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000270345905	329592607	/nfs/dbraw/zinc/59/26/07/329592607.db2.gz	GDRRDBKPLLEYAQ-GFCCVEGCSA-N	1	1	351.834	2.012	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1C#N	ZINC000276215886	330130093	/nfs/dbraw/zinc/13/00/93/330130093.db2.gz	WQSAVSHVLCCALW-AWEZNQCLSA-N	1	1	370.453	2.051	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NCCCCn3cc[nH+]c3C)CC2)o1	ZINC000276497122	330158497	/nfs/dbraw/zinc/15/84/97/330158497.db2.gz	VWYCJFSXTDEVCH-UHFFFAOYSA-N	1	1	370.457	2.173	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@H]1CC[N@H+](CCOC)C1)c1ccc(Cl)cc1F	ZINC000805136221	674321883	/nfs/dbraw/zinc/32/18/83/674321883.db2.gz	AWQYRMQCQOCMKJ-BBRMVZONSA-N	1	1	353.825	2.173	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1F	ZINC000805221390	674326481	/nfs/dbraw/zinc/32/64/81/674326481.db2.gz	IXEQIWOIOJUQGB-XFBWCDHKSA-N	1	1	353.825	2.172	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1F	ZINC000805221390	674326484	/nfs/dbraw/zinc/32/64/84/674326484.db2.gz	IXEQIWOIOJUQGB-XFBWCDHKSA-N	1	1	353.825	2.172	20	30		FEEDMO
N#Cc1ccc([C@H](O)C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc1	ZINC000155463810	545529270	/nfs/dbraw/zinc/52/92/70/545529270.db2.gz	VXMICRXPJLVAPF-HXUWFJFHSA-N	1	1	361.449	2.057	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-n2ccnc2)cc1	ZINC000155533381	545539603	/nfs/dbraw/zinc/53/96/03/545539603.db2.gz	LBIVRUZHLAGVNF-MRXNPFEDSA-N	1	1	359.437	2.245	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-n2ccnc2)cc1	ZINC000155533381	545539609	/nfs/dbraw/zinc/53/96/09/545539609.db2.gz	LBIVRUZHLAGVNF-MRXNPFEDSA-N	1	1	359.437	2.245	20	30		FEEDMO
CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CCCOc1cccc(C#N)c1	ZINC000155620191	545549851	/nfs/dbraw/zinc/54/98/51/545549851.db2.gz	BQJWXHISAQPIKI-KRWDZBQOSA-N	1	1	365.499	2.121	20	30		FEEDMO
C#CC[N@H+](CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1)C1CCCC1	ZINC000155739115	545564115	/nfs/dbraw/zinc/56/41/15/545564115.db2.gz	PHVCYVRENUSTQK-SFHVURJKSA-N	1	1	373.541	2.361	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000155929061	545584818	/nfs/dbraw/zinc/58/48/18/545584818.db2.gz	KGTIUXUXCYPVMX-FZKQIMNGSA-N	1	1	370.428	2.111	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000156743240	545655089	/nfs/dbraw/zinc/65/50/89/545655089.db2.gz	KGQJXAWXPOHDNH-AWEZNQCLSA-N	1	1	362.861	2.340	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1	ZINC000158868442	545901609	/nfs/dbraw/zinc/90/16/09/545901609.db2.gz	FLSJFAHDOGXALV-IRXDYDNUSA-N	1	1	364.534	2.363	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1	ZINC000158868442	545901613	/nfs/dbraw/zinc/90/16/13/545901613.db2.gz	FLSJFAHDOGXALV-IRXDYDNUSA-N	1	1	364.534	2.363	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)[N@H+]3CCC[C@H](C)C3)cc2C1=O	ZINC000478528568	561168893	/nfs/dbraw/zinc/16/88/93/561168893.db2.gz	JXIAHUZXQVKZCO-GJZGRUSLSA-N	1	1	369.465	2.319	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CCOC)[C@@H](CCC)C2)CC1	ZINC000161763053	546134139	/nfs/dbraw/zinc/13/41/39/546134139.db2.gz	TWRJRKGKRLEQAU-IBGZPJMESA-N	1	1	366.550	2.169	20	30		FEEDMO
COc1ccc(-c2cc(C(=O)N(CCC#N)CCC[NH+](C)C)n[nH]2)cc1	ZINC000164954987	546151861	/nfs/dbraw/zinc/15/18/61/546151861.db2.gz	SZGVVJPCMATRLN-UHFFFAOYSA-N	1	1	355.442	2.393	20	30		FEEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CC1	ZINC000165785857	546153448	/nfs/dbraw/zinc/15/34/48/546153448.db2.gz	FLRCPENCNDSXAZ-GOSISDBHSA-N	1	1	361.511	2.464	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1	ZINC000172840543	546268604	/nfs/dbraw/zinc/26/86/04/546268604.db2.gz	ZJDRGGYJRPKFHR-HXUWFJFHSA-N	1	1	365.433	2.106	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1	ZINC000172840543	546268608	/nfs/dbraw/zinc/26/86/08/546268608.db2.gz	ZJDRGGYJRPKFHR-HXUWFJFHSA-N	1	1	365.433	2.106	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC(C#N)CC1	ZINC000173397704	546280308	/nfs/dbraw/zinc/28/03/08/546280308.db2.gz	SKJVNPKMCRWXCG-KRWDZBQOSA-N	1	1	355.486	2.142	20	30		FEEDMO
C[C@@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@H+]1Cc1ccccc1	ZINC000174430845	546296454	/nfs/dbraw/zinc/29/64/54/546296454.db2.gz	YRCYEDCWTWCRNB-UTKZUKDTSA-N	1	1	354.498	2.391	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)cc1C	ZINC000175205384	546306717	/nfs/dbraw/zinc/30/67/17/546306717.db2.gz	JPLKSLIOHICQMF-KRWDZBQOSA-N	1	1	356.470	2.138	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000175779635	546348682	/nfs/dbraw/zinc/34/86/82/546348682.db2.gz	BQEVLFWJXKKUNB-LJQANCHMSA-N	1	1	357.502	2.138	20	30		FEEDMO
CCN(C[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1)CC(F)(F)F	ZINC000176397792	546440413	/nfs/dbraw/zinc/44/04/13/546440413.db2.gz	XFLBQNIYVHRDDS-CJNGLKHVSA-N	1	1	360.424	2.001	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c(F)c1	ZINC000480724679	561215400	/nfs/dbraw/zinc/21/54/00/561215400.db2.gz	CHMCFCNVMJABBD-UHFFFAOYSA-N	1	1	365.474	2.477	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1	ZINC000177402900	546610823	/nfs/dbraw/zinc/61/08/23/546610823.db2.gz	WZDMEUWTLIDDFV-QGZVFWFLSA-N	1	1	354.454	2.123	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1	ZINC000177402900	546610826	/nfs/dbraw/zinc/61/08/26/546610826.db2.gz	WZDMEUWTLIDDFV-QGZVFWFLSA-N	1	1	354.454	2.123	20	30		FEEDMO
N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1	ZINC000177622037	546655121	/nfs/dbraw/zinc/65/51/21/546655121.db2.gz	LVFHZRRIBBQAFA-SFHVURJKSA-N	1	1	367.497	2.256	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1	ZINC000481232240	561228592	/nfs/dbraw/zinc/22/85/92/561228592.db2.gz	RTWDXDNDGMCJLS-UHFFFAOYSA-N	1	1	356.401	2.137	20	30		FEEDMO
CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000481153714	561226565	/nfs/dbraw/zinc/22/65/65/561226565.db2.gz	KEVVZGBWKAPEMZ-INIZCTEOSA-N	1	1	356.470	2.170	20	30		FEEDMO
CN(C(=O)c1cc(C#N)cn1C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000178928901	546875013	/nfs/dbraw/zinc/87/50/13/546875013.db2.gz	YQJQQWQXPIQEQS-RBUKOAKNSA-N	1	1	371.529	2.306	20	30		FEEDMO
CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000481737669	561240307	/nfs/dbraw/zinc/24/03/07/561240307.db2.gz	PAUQYSXSNOHIHE-CVEARBPZSA-N	1	1	370.409	2.151	20	30		FEEDMO
CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000481737669	561240308	/nfs/dbraw/zinc/24/03/08/561240308.db2.gz	PAUQYSXSNOHIHE-CVEARBPZSA-N	1	1	370.409	2.151	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2nnc3n2CCCC3)CC1	ZINC000481841041	561243669	/nfs/dbraw/zinc/24/36/69/561243669.db2.gz	NGXZYHSHMAGXHZ-FOIQADDNSA-N	1	1	372.517	2.237	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)cc1	ZINC000179560524	546977086	/nfs/dbraw/zinc/97/70/86/546977086.db2.gz	BGNZLKAEDHKVRP-LJQANCHMSA-N	1	1	362.433	2.450	20	30		FEEDMO
Cn1cc(C[NH+]2CCN(c3cnccn3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000179935918	547031057	/nfs/dbraw/zinc/03/10/57/547031057.db2.gz	IRLXJLQELMKZBV-UHFFFAOYSA-N	1	1	359.437	2.071	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCOC3(CCOCC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180259127	547074413	/nfs/dbraw/zinc/07/44/13/547074413.db2.gz	VBJPFSDYNDKKOE-UHFFFAOYSA-N	1	1	352.438	2.340	20	30		FEEDMO
Cn1cc(C[N@H+]2CCOC3(CCOCC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180259127	547074417	/nfs/dbraw/zinc/07/44/17/547074417.db2.gz	VBJPFSDYNDKKOE-UHFFFAOYSA-N	1	1	352.438	2.340	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1	ZINC000483173761	561269541	/nfs/dbraw/zinc/26/95/41/561269541.db2.gz	IAQCMQILZCYMKK-NQIIRXRSSA-N	1	1	361.482	2.425	20	30		FEEDMO
C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000483315389	561273948	/nfs/dbraw/zinc/27/39/48/561273948.db2.gz	OYDAWPSSFYRJCP-LRDDRELGSA-N	1	1	351.834	2.012	20	30		FEEDMO
CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3cccc(C#N)c3)cc2)CC1	ZINC000182553720	547512087	/nfs/dbraw/zinc/51/20/87/547512087.db2.gz	JQMHXUWIRLFRHJ-UHFFFAOYSA-N	1	1	362.433	2.475	20	30		FEEDMO
C=CCOCCCC(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1	ZINC000182547097	547512285	/nfs/dbraw/zinc/51/22/85/547512285.db2.gz	KDEHHTFUVXINPD-UHFFFAOYSA-N	1	1	359.470	2.272	20	30		FEEDMO
C=CC[C@@H](CO)NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1	ZINC000182987181	547583922	/nfs/dbraw/zinc/58/39/22/547583922.db2.gz	QMSVWTKRRNUHPZ-HNNXBMFYSA-N	1	1	353.413	2.165	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCCN(CC(F)F)CC3)C2=O)cc1	ZINC000182994365	547585545	/nfs/dbraw/zinc/58/55/45/547585545.db2.gz	CACPRWQLVZOLCK-QGZVFWFLSA-N	1	1	362.424	2.326	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCCN(CC(F)F)CC3)C2=O)cc1	ZINC000182994365	547585547	/nfs/dbraw/zinc/58/55/47/547585547.db2.gz	CACPRWQLVZOLCK-QGZVFWFLSA-N	1	1	362.424	2.326	20	30		FEEDMO
CC(C)([C@@H](NCC(=O)NCC#N)c1ccc(F)c(F)c1)[NH+]1CCCC1	ZINC000484531050	561299273	/nfs/dbraw/zinc/29/92/73/561299273.db2.gz	GIOCIESPRSIZHG-KRWDZBQOSA-N	1	1	350.413	2.110	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000183783559	547718656	/nfs/dbraw/zinc/71/86/56/547718656.db2.gz	QTHKXLDENVRYEU-NVAXRVGSSA-N	1	1	367.449	2.164	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(c2ccccn2)CC1	ZINC000183819935	547724859	/nfs/dbraw/zinc/72/48/59/547724859.db2.gz	NEGKQSCIIJSBSD-QGZVFWFLSA-N	1	1	355.486	2.325	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(c2ccccn2)CC1	ZINC000183819935	547724862	/nfs/dbraw/zinc/72/48/62/547724862.db2.gz	NEGKQSCIIJSBSD-QGZVFWFLSA-N	1	1	355.486	2.325	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[NH2+][C@H](CO)c1cccc(Br)c1	ZINC000183899328	547736393	/nfs/dbraw/zinc/73/63/93/547736393.db2.gz	KQOQAVHPNUOSRV-OAHLLOKOSA-N	1	1	355.276	2.497	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1cccc(Br)c1	ZINC000183915728	547739082	/nfs/dbraw/zinc/73/90/82/547739082.db2.gz	MUTWUKXLEPWVPN-SWLSCSKDSA-N	1	1	368.275	2.080	20	30		FEEDMO
CC(C)CC[N@H+](CCC#N)C[C@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000484900914	561308275	/nfs/dbraw/zinc/30/82/75/561308275.db2.gz	PWJAWSYGEXQPSY-KRWDZBQOSA-N	1	1	358.442	2.126	20	30		FEEDMO
CC(C)CC[N@@H+](CCC#N)C[C@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000484900914	561308276	/nfs/dbraw/zinc/30/82/76/561308276.db2.gz	PWJAWSYGEXQPSY-KRWDZBQOSA-N	1	1	358.442	2.126	20	30		FEEDMO
C=CCOc1ccc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1OC	ZINC000185308054	547967327	/nfs/dbraw/zinc/96/73/27/547967327.db2.gz	SYNXYJJHCOHBPY-MRXNPFEDSA-N	1	1	361.486	2.016	20	30		FEEDMO
CC#CCCCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000185725294	548025532	/nfs/dbraw/zinc/02/55/32/548025532.db2.gz	KUVWAHOWRJUXHQ-LJQANCHMSA-N	1	1	355.482	2.194	20	30		FEEDMO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[NH+](C[C@@H](C)O)CC1	ZINC000186846159	548204479	/nfs/dbraw/zinc/20/44/79/548204479.db2.gz	FQILOJKFKICTQU-CYBMUJFWSA-N	1	1	372.387	2.409	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000188092189	548271829	/nfs/dbraw/zinc/27/18/29/548271829.db2.gz	XPMIZYRXEGFZNS-SFHVURJKSA-N	1	1	358.486	2.092	20	30		FEEDMO
N#CCCN(C(=O)CCCC[NH+]1CCOCC1)c1ccc2c(c1)OCCO2	ZINC000486288648	561343252	/nfs/dbraw/zinc/34/32/52/561343252.db2.gz	DROAZGIHACCWBU-UHFFFAOYSA-N	1	1	373.453	2.207	20	30		FEEDMO
C=CCN(CCOC)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1	ZINC000191134404	548340454	/nfs/dbraw/zinc/34/04/54/548340454.db2.gz	YUVBNMABHNRVCD-KRWDZBQOSA-N	1	1	361.486	2.251	20	30		FEEDMO
C=CCN(CCOC)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1	ZINC000191134404	548340458	/nfs/dbraw/zinc/34/04/58/548340458.db2.gz	YUVBNMABHNRVCD-KRWDZBQOSA-N	1	1	361.486	2.251	20	30		FEEDMO
COc1cc(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)cc(OC)c1OC	ZINC000191493603	548346352	/nfs/dbraw/zinc/34/63/52/548346352.db2.gz	JAAHTNJCJVHDQK-UHFFFAOYSA-N	1	1	370.453	2.245	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)CC2)o1	ZINC000195051366	548569446	/nfs/dbraw/zinc/56/94/46/548569446.db2.gz	UAXWCKSWUSIKKR-HNNXBMFYSA-N	1	1	373.501	2.452	20	30		FEEDMO
C=CC[N@H+](CCc1ccccc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000195195823	548594596	/nfs/dbraw/zinc/59/45/96/548594596.db2.gz	QPBZBIOIULTXLB-GOSISDBHSA-N	1	1	364.445	2.374	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000245446609	548924247	/nfs/dbraw/zinc/92/42/47/548924247.db2.gz	ZYXPRTJJBOLAFH-CRAIPNDOSA-N	1	1	366.483	2.233	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000245446609	548924248	/nfs/dbraw/zinc/92/42/48/548924248.db2.gz	ZYXPRTJJBOLAFH-CRAIPNDOSA-N	1	1	366.483	2.233	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2Cc2cnc3ccc(C#N)cn23)C[C@H](C)O1	ZINC000245559322	548946194	/nfs/dbraw/zinc/94/61/94/548946194.db2.gz	LVGUUKFHELNPRR-SOLBZPMBSA-N	1	1	353.470	2.280	20	30		FEEDMO
C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)C[C@H](C)O1	ZINC000245559322	548946202	/nfs/dbraw/zinc/94/62/02/548946202.db2.gz	LVGUUKFHELNPRR-SOLBZPMBSA-N	1	1	353.470	2.280	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1	ZINC000245656038	548968118	/nfs/dbraw/zinc/96/81/18/548968118.db2.gz	OEQHVWNRIRRXIS-MJGOQNOKSA-N	1	1	362.433	2.367	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](CCc2ccccc2)CC1	ZINC000488139082	561384237	/nfs/dbraw/zinc/38/42/37/561384237.db2.gz	BNFGBFBDGREPAV-SFHVURJKSA-N	1	1	357.498	2.234	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000488209899	561386150	/nfs/dbraw/zinc/38/61/50/561386150.db2.gz	OJFBSZBJYWGDQT-ZIFCJYIRSA-N	1	1	357.498	2.484	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](Cc3ccccc3)C2)CC1	ZINC000245997810	549033833	/nfs/dbraw/zinc/03/38/33/549033833.db2.gz	ISJMWIRWMQGQQA-SFTDATJTSA-N	1	1	368.525	2.243	20	30		FEEDMO
CCSCC[C@H](C)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000246082356	549047660	/nfs/dbraw/zinc/04/76/60/549047660.db2.gz	MYCPPHBSHOYCAQ-DLBZAZTESA-N	1	1	354.564	2.142	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1	ZINC000246093913	549049953	/nfs/dbraw/zinc/04/99/53/549049953.db2.gz	KZCGMASPKXWZKH-CABCVRRESA-N	1	1	360.458	2.264	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1	ZINC000246093913	549049955	/nfs/dbraw/zinc/04/99/55/549049955.db2.gz	KZCGMASPKXWZKH-CABCVRRESA-N	1	1	360.458	2.264	20	30		FEEDMO
CCCCNC(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000246416192	549128567	/nfs/dbraw/zinc/12/85/67/549128567.db2.gz	KIGVSIGJBLSDQF-HOTGVXAUSA-N	1	1	374.510	2.353	20	30		FEEDMO
CCCCNC(=O)[C@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000246416192	549128571	/nfs/dbraw/zinc/12/85/71/549128571.db2.gz	KIGVSIGJBLSDQF-HOTGVXAUSA-N	1	1	374.510	2.353	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000246498411	549147331	/nfs/dbraw/zinc/14/73/31/549147331.db2.gz	XQYLXUVOCQYPMR-KBPBESRZSA-N	1	1	353.875	2.459	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)CN1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000488670192	561394235	/nfs/dbraw/zinc/39/42/35/561394235.db2.gz	ACKNWRZPFFJRIM-GHTZIAJQSA-N	1	1	374.525	2.340	20	30		FEEDMO
C=CCn1cccc1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000489083556	561403031	/nfs/dbraw/zinc/40/30/31/561403031.db2.gz	WCQYHSNVMDRICR-KRWDZBQOSA-N	1	1	352.438	2.376	20	30		FEEDMO
C=CCn1cccc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000489083556	561403032	/nfs/dbraw/zinc/40/30/32/561403032.db2.gz	WCQYHSNVMDRICR-KRWDZBQOSA-N	1	1	352.438	2.376	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@@H]4CCCC[C@@H]43)CC2)o1	ZINC000248449499	549439414	/nfs/dbraw/zinc/43/94/14/549439414.db2.gz	XREVEUCDHSULFN-ZVZYQTTQSA-N	1	1	371.485	2.014	20	30		FEEDMO
C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000489394511	561409982	/nfs/dbraw/zinc/40/99/82/561409982.db2.gz	CAXGNMRPGOYZJY-QFBILLFUSA-N	1	1	369.465	2.409	20	30		FEEDMO
C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000489394511	561409983	/nfs/dbraw/zinc/40/99/83/561409983.db2.gz	CAXGNMRPGOYZJY-QFBILLFUSA-N	1	1	369.465	2.409	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000248505426	549451512	/nfs/dbraw/zinc/45/15/12/549451512.db2.gz	WNVNJCFBSOWCFC-ZFWWWQNUSA-N	1	1	353.875	2.316	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)C2)n1	ZINC000489401793	561410050	/nfs/dbraw/zinc/41/00/50/561410050.db2.gz	YCVXBIFRAUWVHX-OALUTQOASA-N	1	1	369.513	2.277	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000248705400	549486964	/nfs/dbraw/zinc/48/69/64/549486964.db2.gz	ASBNRUURRZJCLL-KBXCAEBGSA-N	1	1	373.453	2.496	20	30		FEEDMO
COC(=O)[C@H](C)C[N@@H+](C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248775117	549499887	/nfs/dbraw/zinc/49/98/87/549499887.db2.gz	UGDHXXAOTAQKMF-KDOFPFPSSA-N	1	1	355.438	2.327	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC	ZINC000248794683	549503779	/nfs/dbraw/zinc/50/37/79/549503779.db2.gz	DXQWQCXZSWZNAS-DMUMMCEESA-N	1	1	359.466	2.428	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC	ZINC000248794683	549503780	/nfs/dbraw/zinc/50/37/80/549503780.db2.gz	DXQWQCXZSWZNAS-DMUMMCEESA-N	1	1	359.466	2.428	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000248872787	549519093	/nfs/dbraw/zinc/51/90/93/549519093.db2.gz	QTMPOJPIHSHRGV-DNVCBOLYSA-N	1	1	362.433	2.133	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(F)c2)C1	ZINC000489717170	561417717	/nfs/dbraw/zinc/41/77/17/561417717.db2.gz	ISMFQERIWHYVPN-CQSZACIVSA-N	1	1	353.463	2.344	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)C1=O	ZINC000489932195	561422643	/nfs/dbraw/zinc/42/26/43/561422643.db2.gz	IRBYAMDUUVVBGV-STQMWFEESA-N	1	1	356.392	2.405	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)[C@H](C)c1ccc(C#N)cc1	ZINC000253356100	549683941	/nfs/dbraw/zinc/68/39/41/549683941.db2.gz	WLOSGZDXUOXYCA-DNVCBOLYSA-N	1	1	356.470	2.068	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)c1	ZINC000261796327	549755582	/nfs/dbraw/zinc/75/55/82/549755582.db2.gz	VMAUUPSTNNDXNA-SFHVURJKSA-N	1	1	359.426	2.174	20	30		FEEDMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)Cc1ccccc1	ZINC000490371771	561431859	/nfs/dbraw/zinc/43/18/59/561431859.db2.gz	NIVTYQYDDTTYSJ-UHFFFAOYSA-N	1	1	370.840	2.398	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1	ZINC000490626977	561436306	/nfs/dbraw/zinc/43/63/06/561436306.db2.gz	AFVJXKSTRNXNTD-QRVBRYPASA-N	1	1	358.482	2.145	20	30		FEEDMO
CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000490704226	561437613	/nfs/dbraw/zinc/43/76/13/561437613.db2.gz	KLCIDHZEKOQLSP-DOTOQJQBSA-N	1	1	359.474	2.236	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264039229	549971680	/nfs/dbraw/zinc/97/16/80/549971680.db2.gz	FSEIWSCODJOZPJ-UHFFFAOYSA-N	1	1	353.426	2.316	20	30		FEEDMO
N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1	ZINC000266109441	550017300	/nfs/dbraw/zinc/01/73/00/550017300.db2.gz	SJYNKENUHZJHJX-VQTJNVASSA-N	1	1	354.498	2.250	20	30		FEEDMO
C=CCNC(=O)c1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)nc1	ZINC000266393929	550020061	/nfs/dbraw/zinc/02/00/61/550020061.db2.gz	ONHJRGUXLOHRSP-UHFFFAOYSA-N	1	1	352.438	2.025	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000268235064	550038161	/nfs/dbraw/zinc/03/81/61/550038161.db2.gz	ZGCYQTURXJMCPL-BBRMVZONSA-N	1	1	372.494	2.230	20	30		FEEDMO
C#CC[C@@H](NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1	ZINC000270438204	550272566	/nfs/dbraw/zinc/27/25/66/550272566.db2.gz	JJDFLZSIZHVQEJ-WOJBJXKFSA-N	1	1	356.514	2.322	20	30		FEEDMO
CC(C)N1CC[NH+](C2CCN(c3nc4c(cc3C#N)CCC4)CC2)CC1	ZINC000270507076	550278629	/nfs/dbraw/zinc/27/86/29/550278629.db2.gz	VXVWSCMBYCHMEN-UHFFFAOYSA-N	1	1	353.514	2.437	20	30		FEEDMO
Cc1cc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)nn1CCC#N	ZINC000271079080	550338345	/nfs/dbraw/zinc/33/83/45/550338345.db2.gz	QVGCZOFNSDHJPG-UHFFFAOYSA-N	1	1	366.469	2.105	20	30		FEEDMO
CC1(C)OCC(C)(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CO1	ZINC000271104095	550341087	/nfs/dbraw/zinc/34/10/87/550341087.db2.gz	KWPYSVFNOYGAAR-UHFFFAOYSA-N	1	1	371.481	2.382	20	30		FEEDMO
CC1(C)OCC(C)(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CO1	ZINC000271104095	550341090	/nfs/dbraw/zinc/34/10/90/550341090.db2.gz	KWPYSVFNOYGAAR-UHFFFAOYSA-N	1	1	371.481	2.382	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCc1cnccn1	ZINC000271283516	550361135	/nfs/dbraw/zinc/36/11/35/550361135.db2.gz	AQVFVUWIWUVIMA-MRXNPFEDSA-N	1	1	367.453	2.295	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCc1cnccn1	ZINC000271283516	550361137	/nfs/dbraw/zinc/36/11/37/550361137.db2.gz	AQVFVUWIWUVIMA-MRXNPFEDSA-N	1	1	367.453	2.295	20	30		FEEDMO
C[C@H]1C[C@H](CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1	ZINC000271347322	550367562	/nfs/dbraw/zinc/36/75/62/550367562.db2.gz	KMQVHVTUHBGSRW-UONOGXRCSA-N	1	1	354.454	2.461	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)CCOCCCOC)c(OC)c1	ZINC000271553403	550384846	/nfs/dbraw/zinc/38/48/46/550384846.db2.gz	YVPSKVVXLGPYFA-SFHVURJKSA-N	1	1	367.486	2.148	20	30		FEEDMO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C	ZINC000271882515	550408264	/nfs/dbraw/zinc/40/82/64/550408264.db2.gz	ZSRSFOHABFLHRG-RYUDHWBXSA-N	1	1	370.375	2.496	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C	ZINC000271882515	550408265	/nfs/dbraw/zinc/40/82/65/550408265.db2.gz	ZSRSFOHABFLHRG-RYUDHWBXSA-N	1	1	370.375	2.496	20	30		FEEDMO
Cc1cc(NC(=O)NCC[N@H+]2CCc3ccccc3C2)nn1CCC#N	ZINC000272076883	550420874	/nfs/dbraw/zinc/42/08/74/550420874.db2.gz	LDIMIJWNFWCVBG-UHFFFAOYSA-N	1	1	352.442	2.285	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1ccc(Br)cc1	ZINC000273105285	550485049	/nfs/dbraw/zinc/48/50/49/550485049.db2.gz	MYBLIITUNURBBL-GDBMZVCRSA-N	1	1	368.275	2.127	20	30		FEEDMO
CS(=O)(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000274012629	550519720	/nfs/dbraw/zinc/51/97/20/550519720.db2.gz	AYTFWISSUOVQOS-AWEZNQCLSA-N	1	1	369.874	2.049	20	30		FEEDMO
CS(=O)(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000274012629	550519721	/nfs/dbraw/zinc/51/97/21/550519721.db2.gz	AYTFWISSUOVQOS-AWEZNQCLSA-N	1	1	369.874	2.049	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000277010389	550621629	/nfs/dbraw/zinc/62/16/29/550621629.db2.gz	LIVGTSLTGYIPBS-JKSUJKDBSA-N	1	1	362.499	2.228	20	30		FEEDMO
COCCO[C@H]1C[C@@H](CO)C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000278275810	550768152	/nfs/dbraw/zinc/76/81/52/550768152.db2.gz	JPKCNJMXJPAVKZ-AEFFLSMTSA-N	1	1	371.399	2.403	20	30		FEEDMO
COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000278275810	550768154	/nfs/dbraw/zinc/76/81/54/550768154.db2.gz	JPKCNJMXJPAVKZ-AEFFLSMTSA-N	1	1	371.399	2.403	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1CC(=O)N(CCC#N)c1ccccc1	ZINC000278721360	550814903	/nfs/dbraw/zinc/81/49/03/550814903.db2.gz	RUCLRTNBTYAKSY-GOSISDBHSA-N	1	1	370.497	2.118	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)NCC[N@H+]2CCc3ccccc3C2)n1	ZINC000279275733	550872360	/nfs/dbraw/zinc/87/23/60/550872360.db2.gz	SKQGTCCPRDEOPM-UHFFFAOYSA-N	1	1	365.481	2.106	20	30		FEEDMO
N#CCCn1cc(C[N@@H+](CCO)Cc2cccnc2)c(-c2ccncc2)n1	ZINC000279413882	550887548	/nfs/dbraw/zinc/88/75/48/550887548.db2.gz	OGMFBMKLGIDIRT-UHFFFAOYSA-N	1	1	362.437	2.248	20	30		FEEDMO
N#CCCn1cc(C[N@H+](CCO)Cc2cccnc2)c(-c2ccncc2)n1	ZINC000279413882	550887549	/nfs/dbraw/zinc/88/75/49/550887549.db2.gz	OGMFBMKLGIDIRT-UHFFFAOYSA-N	1	1	362.437	2.248	20	30		FEEDMO
N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)nc1	ZINC000279963133	550947538	/nfs/dbraw/zinc/94/75/38/550947538.db2.gz	SZNASEYWSOENGX-VJFUWPCTSA-N	1	1	354.454	2.386	20	30		FEEDMO
C=CCCCNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000280159553	550966444	/nfs/dbraw/zinc/96/64/44/550966444.db2.gz	SCONVXHOIUGKDH-UHFFFAOYSA-N	1	1	360.458	2.171	20	30		FEEDMO
COCC[N@@H+](C)CC[C@H](NC(=O)c1cc(C#N)ccn1)c1ccccc1	ZINC000496410676	561493853	/nfs/dbraw/zinc/49/38/53/561493853.db2.gz	IWRDLIXFCMWLAR-SFHVURJKSA-N	1	1	352.438	2.393	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1	ZINC000281263561	551079143	/nfs/dbraw/zinc/07/91/43/551079143.db2.gz	VOIJGMMUVZZECU-UZLBHIALSA-N	1	1	356.470	2.088	20	30		FEEDMO
CN(C(=O)[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1)c1ccccc1	ZINC000281328789	551085181	/nfs/dbraw/zinc/08/51/81/551085181.db2.gz	YPEDSLVCCACAJJ-QGZVFWFLSA-N	1	1	362.433	2.482	20	30		FEEDMO
CN(C(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1)c1ccccc1	ZINC000281328789	551085182	/nfs/dbraw/zinc/08/51/82/551085182.db2.gz	YPEDSLVCCACAJJ-QGZVFWFLSA-N	1	1	362.433	2.482	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH2+][C@]2(CO)CCOc3ccccc32)cc1Cl	ZINC000281727402	551135801	/nfs/dbraw/zinc/13/58/01/551135801.db2.gz	PMSZPXPJUGBOAR-IBGZPJMESA-N	1	1	371.824	2.410	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1	ZINC000282005168	551168268	/nfs/dbraw/zinc/16/82/68/551168268.db2.gz	MKEKAZYGSMKIPU-UHFFFAOYSA-N	1	1	361.489	2.181	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)C1=O	ZINC000282070556	551176733	/nfs/dbraw/zinc/17/67/33/551176733.db2.gz	SXAYOUWRGBOKDZ-CRAIPNDOSA-N	1	1	374.460	2.446	20	30		FEEDMO
CCOc1ccnc(N2CCC[N@@H+](CCCC3(C#N)CCOCC3)CC2)n1	ZINC000282104966	551180908	/nfs/dbraw/zinc/18/09/08/551180908.db2.gz	WIIRMPLRPDGIOM-UHFFFAOYSA-N	1	1	373.501	2.488	20	30		FEEDMO
C=CCn1c(Cc2ccccc2F)nnc1N1CC[NH+](CCOCC)CC1	ZINC000282672752	551258080	/nfs/dbraw/zinc/25/80/80/551258080.db2.gz	RZWJKFNKXBRJDX-UHFFFAOYSA-N	1	1	373.476	2.353	20	30		FEEDMO
CN1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[C@H]1C#N	ZINC000282895306	551282733	/nfs/dbraw/zinc/28/27/33/551282733.db2.gz	XOXNMTOBTNPTPD-MOPGFXCFSA-N	1	1	369.513	2.136	20	30		FEEDMO
C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCOC)CC1	ZINC000283381699	551357168	/nfs/dbraw/zinc/35/71/68/551357168.db2.gz	VDHOXQZGKVPRGJ-UHFFFAOYSA-N	1	1	366.469	2.161	20	30		FEEDMO
C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000283560548	551387979	/nfs/dbraw/zinc/38/79/79/551387979.db2.gz	IWCNIQNOAYMILU-QGZVFWFLSA-N	1	1	368.485	2.075	20	30		FEEDMO
CC(C)n1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000498222777	561519222	/nfs/dbraw/zinc/51/92/22/561519222.db2.gz	XVTMAPGVHFZLEC-UHFFFAOYSA-N	1	1	352.442	2.147	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)NCCCCC#N)cc1	ZINC000284441439	551549846	/nfs/dbraw/zinc/54/98/46/551549846.db2.gz	LPBMQKGWIAYEGW-KRWDZBQOSA-N	1	1	370.497	2.487	20	30		FEEDMO
N#CCC[C@@H](C#N)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000286072021	551845590	/nfs/dbraw/zinc/84/55/90/551845590.db2.gz	RXWFGYUZKQCYPQ-LEWJYISDSA-N	1	1	351.498	2.322	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1	ZINC000286729903	551919592	/nfs/dbraw/zinc/91/95/92/551919592.db2.gz	XQZKZEFRSAOXHL-ZFWWWQNUSA-N	1	1	355.360	2.380	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1	ZINC000287288018	551985497	/nfs/dbraw/zinc/98/54/97/551985497.db2.gz	IKCLMSAVNQGLEP-AWEZNQCLSA-N	1	1	360.845	2.094	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1	ZINC000287288018	551985499	/nfs/dbraw/zinc/98/54/99/551985499.db2.gz	IKCLMSAVNQGLEP-AWEZNQCLSA-N	1	1	360.845	2.094	20	30		FEEDMO
C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000287721844	552038211	/nfs/dbraw/zinc/03/82/11/552038211.db2.gz	ACJYSCQHHUSOEG-DNVCBOLYSA-N	1	1	362.433	2.276	20	30		FEEDMO
Cn1cc[nH+]c1N1CCN(Cc2ccc(Br)cc2C#N)CC1	ZINC000287821936	552051318	/nfs/dbraw/zinc/05/13/18/552051318.db2.gz	PSBFLTQZHRTNHY-UHFFFAOYSA-N	1	1	360.259	2.376	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)o1	ZINC000288191056	552107557	/nfs/dbraw/zinc/10/75/57/552107557.db2.gz	PRFFMWYTULJOCR-PBHICJAKSA-N	1	1	359.451	2.340	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1	ZINC000288894929	552231863	/nfs/dbraw/zinc/23/18/63/552231863.db2.gz	UDRSHYOBIIROJO-LJQANCHMSA-N	1	1	370.497	2.001	20	30		FEEDMO
COCC1(C#N)CCN(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1	ZINC000500179864	561567333	/nfs/dbraw/zinc/56/73/33/561567333.db2.gz	GUUAWZALDYVVKT-KRWDZBQOSA-N	1	1	350.507	2.316	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1	ZINC000289313613	552300099	/nfs/dbraw/zinc/30/00/99/552300099.db2.gz	FAQDVQSTUCAVKY-GOSISDBHSA-N	1	1	364.511	2.192	20	30		FEEDMO
CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cncc(C#N)c1	ZINC000289393573	552314106	/nfs/dbraw/zinc/31/41/06/552314106.db2.gz	DSNMQQVTOGTOFO-GOSISDBHSA-N	1	1	370.478	2.238	20	30		FEEDMO
CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cncc(C#N)c1	ZINC000289393573	552314108	/nfs/dbraw/zinc/31/41/08/552314108.db2.gz	DSNMQQVTOGTOFO-GOSISDBHSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000289613090	552349685	/nfs/dbraw/zinc/34/96/85/552349685.db2.gz	YONPRZFKPJLJRK-YJBOKZPZSA-N	1	1	370.478	2.285	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@H+](C)CC3(C)C)C2)n1	ZINC000500509031	561575486	/nfs/dbraw/zinc/57/54/86/561575486.db2.gz	VBOJWCVQFZSLHU-KRWDZBQOSA-N	1	1	355.486	2.031	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1	ZINC000289721900	552367734	/nfs/dbraw/zinc/36/77/34/552367734.db2.gz	PIHSNVYSUJJOMY-KRWDZBQOSA-N	1	1	355.482	2.010	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(-c3noc(CC(C)(C)C#N)n3)cc2)CC1	ZINC000290144333	552434360	/nfs/dbraw/zinc/43/43/60/552434360.db2.gz	PFYUAKGFZUUPPS-UHFFFAOYSA-N	1	1	353.426	2.216	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)N1CC[NH+](C)CC1	ZINC000290574952	552500774	/nfs/dbraw/zinc/50/07/74/552500774.db2.gz	OWDABACFQXWXSL-OAHLLOKOSA-N	1	1	365.437	2.320	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)nc1	ZINC000292350145	552718598	/nfs/dbraw/zinc/71/85/98/552718598.db2.gz	XKJPRWLEDHDJFM-HNNXBMFYSA-N	1	1	354.366	2.394	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1	ZINC000292668469	552748120	/nfs/dbraw/zinc/74/81/20/552748120.db2.gz	AXCQMUZSCKXXBD-HNNXBMFYSA-N	1	1	356.401	2.195	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc2c1OCO2	ZINC000292746146	552754618	/nfs/dbraw/zinc/75/46/18/552754618.db2.gz	HZGOLBQVVGNAFD-HNNXBMFYSA-N	1	1	353.378	2.344	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C2)C1	ZINC000293120057	552790756	/nfs/dbraw/zinc/79/07/56/552790756.db2.gz	DRUYDUWOHMRWED-IBGZPJMESA-N	1	1	372.494	2.185	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ncc(C2CCCCC2)s1	ZINC000293232278	552801592	/nfs/dbraw/zinc/80/15/92/552801592.db2.gz	CJVNRPXQLQBFRC-UHFFFAOYSA-N	1	1	362.499	2.201	20	30		FEEDMO
CN(C)c1cc(C#N)cc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1	ZINC000293342469	552813392	/nfs/dbraw/zinc/81/33/92/552813392.db2.gz	CXFAFKGNSWJHAF-UHFFFAOYSA-N	1	1	358.486	2.055	20	30		FEEDMO
C=CCOc1ccc(CC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1	ZINC000294971879	552948259	/nfs/dbraw/zinc/94/82/59/552948259.db2.gz	QQTPMVXDFKFMQF-HXUWFJFHSA-N	1	1	359.514	2.182	20	30		FEEDMO
C#CCO[C@@H](C)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000295413739	553002541	/nfs/dbraw/zinc/00/25/41/553002541.db2.gz	DIKJFUVYADKMJB-WMZOPIPTSA-N	1	1	352.438	2.307	20	30		FEEDMO
C=CCc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc(OC)c1OC	ZINC000295581071	553028214	/nfs/dbraw/zinc/02/82/14/553028214.db2.gz	VRRPFZAXDUHTFR-QGZVFWFLSA-N	1	1	362.470	2.009	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000296040919	553094680	/nfs/dbraw/zinc/09/46/80/553094680.db2.gz	SQRQEDLETJZDLH-AWEZNQCLSA-N	1	1	353.463	2.381	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000296471246	553165406	/nfs/dbraw/zinc/16/54/06/553165406.db2.gz	VZNGNMAYHFUZIN-AWEZNQCLSA-N	1	1	363.458	2.028	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCC1(c2ccc(F)cc2)CCOCC1	ZINC000296472406	553166007	/nfs/dbraw/zinc/16/60/07/553166007.db2.gz	WJZUJTZKCFFXAS-UHFFFAOYSA-N	1	1	361.461	2.128	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1	ZINC000296489915	553168657	/nfs/dbraw/zinc/16/86/57/553168657.db2.gz	NOSSQTHNBCHZAQ-INIZCTEOSA-N	1	1	360.458	2.314	20	30		FEEDMO
Cc1cc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn2cc[nH+]c12	ZINC000502753668	561624622	/nfs/dbraw/zinc/62/46/22/561624622.db2.gz	OOJPAXVSEYJAQD-UHFFFAOYSA-N	1	1	368.418	2.068	20	30		FEEDMO
C[N@@H+](CCCOc1cccc(C#N)c1)C[C@H](O)CNC(=O)OC(C)(C)C	ZINC000296817495	553215646	/nfs/dbraw/zinc/21/56/46/553215646.db2.gz	RRVYQBYIBCILKY-MRXNPFEDSA-N	1	1	363.458	2.145	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1	ZINC000296928713	553231074	/nfs/dbraw/zinc/23/10/74/553231074.db2.gz	OSBVTCSENJTRKP-UHFFFAOYSA-N	1	1	359.445	2.385	20	30		FEEDMO
C#CCOc1ccc(CNC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1	ZINC000297339362	553280588	/nfs/dbraw/zinc/28/05/88/553280588.db2.gz	BZZWQHFSBIEPAD-UHFFFAOYSA-N	1	1	373.497	2.198	20	30		FEEDMO
C[S@](=O)C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccccc1	ZINC000298851485	553481191	/nfs/dbraw/zinc/48/11/91/553481191.db2.gz	IPORPAPMNVTRFP-RVFQGNMQSA-N	1	1	373.503	2.434	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1	ZINC000299077944	553512437	/nfs/dbraw/zinc/51/24/37/553512437.db2.gz	KDMSVRLODUKPAP-IBGZPJMESA-N	1	1	357.498	2.044	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000299097420	553515204	/nfs/dbraw/zinc/51/52/04/553515204.db2.gz	KWNHAKHCRVJQQL-HXUWFJFHSA-N	1	1	371.525	2.434	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000299452311	553565158	/nfs/dbraw/zinc/56/51/58/553565158.db2.gz	SGLJFNRMNVEMMI-SXWOELEISA-N	1	1	359.470	2.381	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000299452311	553565160	/nfs/dbraw/zinc/56/51/60/553565160.db2.gz	SGLJFNRMNVEMMI-SXWOELEISA-N	1	1	359.470	2.381	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(S(N)(=O)=O)cc1C#N	ZINC000301357867	553645139	/nfs/dbraw/zinc/64/51/39/553645139.db2.gz	LAIWQAYTRASIDL-CQSZACIVSA-N	1	1	350.488	2.272	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(c3nnc4ccccn43)CC2)CCCCC1	ZINC000302768170	553731769	/nfs/dbraw/zinc/73/17/69/553731769.db2.gz	WOUHNPDPWQHHGO-UHFFFAOYSA-N	1	1	366.469	2.251	20	30		FEEDMO
CCCC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCS(=O)(=O)C1	ZINC000302813919	553734354	/nfs/dbraw/zinc/73/43/54/553734354.db2.gz	LUCARZALRNQMEC-AWEZNQCLSA-N	1	1	369.512	2.238	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@H](O)CC1)NC1CCN(C(=O)C2CCCCC2)CC1	ZINC000328811526	553826285	/nfs/dbraw/zinc/82/62/85/553826285.db2.gz	MTRITDQBZVZEGP-GOSISDBHSA-N	1	1	365.518	2.361	20	30		FEEDMO
N#C[C@@H]1CC[C@H]([NH+]2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)C1	ZINC000328873201	553836481	/nfs/dbraw/zinc/83/64/81/553836481.db2.gz	YUDPSIPBEGKCQV-HKBOAZHASA-N	1	1	366.509	2.487	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cccc3c2OCCO3)C[C@@H]1[NH+]1CCOCC1	ZINC000328890461	553839518	/nfs/dbraw/zinc/83/95/18/553839518.db2.gz	ROLAKPHBKAPSFY-HOCLYGCPSA-N	1	1	361.442	2.046	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)[NH+]1CCOCC1	ZINC000328931009	553847281	/nfs/dbraw/zinc/84/72/81/553847281.db2.gz	HSJXTSWXMJQLBJ-BBWFWOEESA-N	1	1	366.506	2.088	20	30		FEEDMO
C[N@H+]1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)[C@@H](c2ccccc2)C1	ZINC000328996857	553861695	/nfs/dbraw/zinc/86/16/95/553861695.db2.gz	FSLUBRLWDBTRML-KFWWJZLASA-N	1	1	369.387	2.452	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1	ZINC000328997165	553861699	/nfs/dbraw/zinc/86/16/99/553861699.db2.gz	KBXBCXPKMLLMTJ-FUHWJXTLSA-N	1	1	364.534	2.293	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc3ccn(C)c(=O)c3c2)C1	ZINC000329090522	553878448	/nfs/dbraw/zinc/87/84/48/553878448.db2.gz	WNXSLKJWAVARBF-KRWDZBQOSA-N	1	1	372.469	2.221	20	30		FEEDMO
CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC1	ZINC000329196277	553899852	/nfs/dbraw/zinc/89/98/52/553899852.db2.gz	VSLNMCICNFOHAC-MRXNPFEDSA-N	1	1	350.507	2.250	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)[C@H]2C1	ZINC000329242003	553909538	/nfs/dbraw/zinc/90/95/38/553909538.db2.gz	AAEHXXAUPFOYNR-APWZRJJASA-N	1	1	370.497	2.497	20	30		FEEDMO
CCC(CC)[C@@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[NH+]1CCOCC1	ZINC000329250679	553911029	/nfs/dbraw/zinc/91/10/29/553911029.db2.gz	XTBBXCGNMIYFAJ-BRWVUGGUSA-N	1	1	366.506	2.088	20	30		FEEDMO
C[C@H](NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1cncc(F)c1	ZINC000329273784	553914990	/nfs/dbraw/zinc/91/49/90/553914990.db2.gz	AVICRINDUMICQZ-MAUKXSAKSA-N	1	1	363.481	2.298	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)C1	ZINC000329275214	553915816	/nfs/dbraw/zinc/91/58/16/553915816.db2.gz	KSIVZVQYGQMCFD-IAGOWNOFSA-N	1	1	364.534	2.355	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3nccs3)CC2)C1	ZINC000329311556	553923338	/nfs/dbraw/zinc/92/33/38/553923338.db2.gz	RESIOZAHHSMMLQ-AWEZNQCLSA-N	1	1	351.520	2.347	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O	ZINC000329325898	553926004	/nfs/dbraw/zinc/92/60/04/553926004.db2.gz	WHVXLKZPEWNABO-FQBWVUSXSA-N	1	1	367.534	2.273	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000329351331	553930000	/nfs/dbraw/zinc/93/00/00/553930000.db2.gz	XDEVMPOQULRDKU-FCGDIQPGSA-N	1	1	367.534	2.273	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2nc(C)cc(C)n2)CC1	ZINC000329362046	553932729	/nfs/dbraw/zinc/93/27/29/553932729.db2.gz	CSUSBXOZXSRFGL-KRWDZBQOSA-N	1	1	360.506	2.004	20	30		FEEDMO
CC(C)c1noc(-c2ccccc2C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)n1	ZINC000329364329	553933254	/nfs/dbraw/zinc/93/32/54/553933254.db2.gz	JNHHRAMZHDQTGR-CQSZACIVSA-N	1	1	357.458	2.410	20	30		FEEDMO
CN1CC[C@H]([N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1=O	ZINC000329403345	553940110	/nfs/dbraw/zinc/94/01/10/553940110.db2.gz	YSLNLESYEMFDGL-WBVHZDCISA-N	1	1	367.453	2.456	20	30		FEEDMO
CN1CC[C@H]([N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1=O	ZINC000329403345	553940115	/nfs/dbraw/zinc/94/01/15/553940115.db2.gz	YSLNLESYEMFDGL-WBVHZDCISA-N	1	1	367.453	2.456	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)C1	ZINC000329416209	553942522	/nfs/dbraw/zinc/94/25/22/553942522.db2.gz	FQQNLJFDDXLHIE-KZNAEPCWSA-N	1	1	353.507	2.148	20	30		FEEDMO
C[C@@H](NC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCCO1	ZINC000329472855	553953350	/nfs/dbraw/zinc/95/33/50/553953350.db2.gz	OJMBIXUKTZQJKA-WKULXVSPSA-N	1	1	353.507	2.432	20	30		FEEDMO
C[C@@H](NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCCO1	ZINC000329472855	553953354	/nfs/dbraw/zinc/95/33/54/553953354.db2.gz	OJMBIXUKTZQJKA-WKULXVSPSA-N	1	1	353.507	2.432	20	30		FEEDMO
C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CCCC12CCOCC2	ZINC000329504474	553958858	/nfs/dbraw/zinc/95/88/58/553958858.db2.gz	ACNDAJOGLWEDPY-BRWVUGGUSA-N	1	1	351.491	2.045	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)[C@]12CCCO2	ZINC000329524923	553962197	/nfs/dbraw/zinc/96/21/97/553962197.db2.gz	QQYYIPXGBFPVAQ-HTBDUDNFSA-N	1	1	353.507	2.289	20	30		FEEDMO
Cc1noc(C)c1[C@@H](C)CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C	ZINC000329547094	553965799	/nfs/dbraw/zinc/96/57/99/553965799.db2.gz	HJQOTCWBGJWRHN-JGGQBBKZSA-N	1	1	350.463	2.104	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1nc2c(s1)CCCC2(C)C	ZINC000329590964	553973010	/nfs/dbraw/zinc/97/30/10/553973010.db2.gz	TZMCUONDGTVDQN-GFCCVEGCSA-N	1	1	351.520	2.329	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)C1	ZINC000329604432	553975619	/nfs/dbraw/zinc/97/56/19/553975619.db2.gz	LTTFGNISMWQZAD-KURKYZTESA-N	1	1	365.518	2.291	20	30		FEEDMO
CCO[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C12CCC2	ZINC000329618367	553977808	/nfs/dbraw/zinc/97/78/08/553977808.db2.gz	GDLHNASXDAJNSU-QBPKDAKJSA-N	1	1	351.491	2.043	20	30		FEEDMO
Cc1ccnc(N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N	ZINC000329657178	553983470	/nfs/dbraw/zinc/98/34/70/553983470.db2.gz	NAKCZYYYJUIVPK-CALCHBBNSA-N	1	1	358.486	2.356	20	30		FEEDMO
Cc1ccnc(N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N	ZINC000329657178	553983472	/nfs/dbraw/zinc/98/34/72/553983472.db2.gz	NAKCZYYYJUIVPK-CALCHBBNSA-N	1	1	358.486	2.356	20	30		FEEDMO
Cc1ccnc(N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C#N	ZINC000329657182	553983539	/nfs/dbraw/zinc/98/35/39/553983539.db2.gz	NAKCZYYYJUIVPK-IRXDYDNUSA-N	1	1	358.486	2.356	20	30		FEEDMO
C[C@H](c1nccs1)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1	ZINC000329802841	554008683	/nfs/dbraw/zinc/00/86/83/554008683.db2.gz	KSMORKVYSOQSRK-BZUAXINKSA-N	1	1	363.531	2.363	20	30		FEEDMO
Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(-n2cc(Cl)cn2)n1	ZINC000329837531	554015578	/nfs/dbraw/zinc/01/55/78/554015578.db2.gz	MWGMFGFQADZGJK-OAHLLOKOSA-N	1	1	374.876	2.469	20	30		FEEDMO
C[NH+]1CCN(CCC(C)(C)NC(=O)CN2CCc3ccccc3C2=O)CC1	ZINC000329863049	554020934	/nfs/dbraw/zinc/02/09/34/554020934.db2.gz	ROLZCFCPZBYQIB-UHFFFAOYSA-N	1	1	372.513	2.058	20	30		FEEDMO
CCN1C(=O)CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC)C2)[C@H]1c1cnn(C)c1	ZINC000329873083	554023042	/nfs/dbraw/zinc/02/30/42/554023042.db2.gz	DMPKYIDBFAQTNC-LZLYRXPVSA-N	1	1	361.490	2.161	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C	ZINC000329918231	554031614	/nfs/dbraw/zinc/03/16/14/554031614.db2.gz	ZRYDIMLODUMUPF-RKVPGOIHSA-N	1	1	361.490	2.079	20	30		FEEDMO
CC1CC(NC(=O)N(C)C[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)C1	ZINC000329927711	554033781	/nfs/dbraw/zinc/03/37/81/554033781.db2.gz	XDRQDJKAJVXAIM-SHWKFHJASA-N	1	1	364.469	2.104	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@H](C)C1	ZINC000507380564	561727125	/nfs/dbraw/zinc/72/71/25/561727125.db2.gz	LBMAXUOKNLYSQJ-LSDHHAIUSA-N	1	1	374.510	2.429	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@H](C)C1	ZINC000507380564	561727127	/nfs/dbraw/zinc/72/71/27/561727127.db2.gz	LBMAXUOKNLYSQJ-LSDHHAIUSA-N	1	1	374.510	2.429	20	30		FEEDMO
NC(=O)NC[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000329983854	554043781	/nfs/dbraw/zinc/04/37/81/554043781.db2.gz	PYJRAVUIJGXSNL-ROUUACIJSA-N	1	1	373.501	2.217	20	30		FEEDMO
C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)S(=O)(=O)C1CCOCC1	ZINC000330068729	554058628	/nfs/dbraw/zinc/05/86/28/554058628.db2.gz	GOVBIYKFMMMFRS-CABCVRRESA-N	1	1	374.547	2.436	20	30		FEEDMO
C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)S(=O)(=O)C1CCOCC1	ZINC000330068729	554058629	/nfs/dbraw/zinc/05/86/29/554058629.db2.gz	GOVBIYKFMMMFRS-CABCVRRESA-N	1	1	374.547	2.436	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)C1	ZINC000330076149	554060249	/nfs/dbraw/zinc/06/02/49/554060249.db2.gz	DOKJVPHWNIAATN-RTBURBONSA-N	1	1	372.513	2.331	20	30		FEEDMO
Cn1cc([C@@H]2[C@H](C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC(=O)N2C(C)(C)C)cn1	ZINC000330105512	554065111	/nfs/dbraw/zinc/06/51/11/554065111.db2.gz	JNULCPRMWRRMMV-QGPMSJSTSA-N	1	1	373.501	2.301	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C	ZINC000330333242	554106952	/nfs/dbraw/zinc/10/69/52/554106952.db2.gz	PQHKAYZHJUBAQL-BQFCYCMXSA-N	1	1	363.506	2.245	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@@H](CNC(N)=O)C2)C1	ZINC000330460022	554124255	/nfs/dbraw/zinc/12/42/55/554124255.db2.gz	JPVWCWVSAJXGLC-XHSDSOJGSA-N	1	1	353.511	2.063	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1C(F)F	ZINC000330599161	554143414	/nfs/dbraw/zinc/14/34/14/554143414.db2.gz	ZZCCOQOEGLJQHO-QWHCGFSZSA-N	1	1	373.448	2.409	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1C(F)F	ZINC000330599161	554143417	/nfs/dbraw/zinc/14/34/17/554143417.db2.gz	ZZCCOQOEGLJQHO-QWHCGFSZSA-N	1	1	373.448	2.409	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)sc1S(N)(=O)=O	ZINC000330675625	554155632	/nfs/dbraw/zinc/15/56/32/554155632.db2.gz	SKPSOQXKIDDSOS-VIFPVBQESA-N	1	1	365.908	2.228	20	30		FEEDMO
CCCS(=O)(=O)Nc1cccc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c1	ZINC000330708583	554160775	/nfs/dbraw/zinc/16/07/75/554160775.db2.gz	NTACTEPKVWNQHI-ZIAGYGMSSA-N	1	1	368.503	2.408	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[C@H](CC(N)=O)C2)C[C@@H](C)O1	ZINC000330967106	554194998	/nfs/dbraw/zinc/19/49/98/554194998.db2.gz	AFXLRGHFTPFTRM-RBSFLKMASA-N	1	1	354.495	2.426	20	30		FEEDMO
CC[C@@H](C)n1ncc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](CC)C2)c1C	ZINC000331132717	554218773	/nfs/dbraw/zinc/21/87/73/554218773.db2.gz	PHPTZCAYSAVYFP-IJEWVQPXSA-N	1	1	351.495	2.485	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)C1	ZINC000331189217	554228080	/nfs/dbraw/zinc/22/80/80/554228080.db2.gz	OVCAHIHGKMGAFO-CABCVRRESA-N	1	1	352.523	2.400	20	30		FEEDMO
C=CCn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](CCOC)[C@H](CCC)C1	ZINC000508746058	561771513	/nfs/dbraw/zinc/77/15/13/561771513.db2.gz	JEFUKACBMKUVEB-MRXNPFEDSA-N	1	1	358.490	2.396	20	30		FEEDMO
N#CC1(CS(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)CCCCC1	ZINC000331644454	554301097	/nfs/dbraw/zinc/30/10/97/554301097.db2.gz	VHESGIIVYGVXJK-UHFFFAOYSA-N	1	1	361.511	2.438	20	30		FEEDMO
N#CC1(CS(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)CCCCC1	ZINC000331644454	554301098	/nfs/dbraw/zinc/30/10/98/554301098.db2.gz	VHESGIIVYGVXJK-UHFFFAOYSA-N	1	1	361.511	2.438	20	30		FEEDMO
C[C@H]([NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1)c1ccc(C#N)cc1F	ZINC000331942150	554349776	/nfs/dbraw/zinc/34/97/76/554349776.db2.gz	XSDODNVXFASTFB-ZFWWWQNUSA-N	1	1	355.417	2.111	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1	ZINC000331998120	554360295	/nfs/dbraw/zinc/36/02/95/554360295.db2.gz	BLFJYDWXNVSKEU-CVEARBPZSA-N	1	1	357.454	2.037	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2c2ccco2)CC1	ZINC000332022482	554365099	/nfs/dbraw/zinc/36/50/99/554365099.db2.gz	GITKLBYYRABEFN-ZWKOTPCHSA-N	1	1	358.486	2.499	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2c2ccco2)CC1	ZINC000332022482	554365102	/nfs/dbraw/zinc/36/51/02/554365102.db2.gz	GITKLBYYRABEFN-ZWKOTPCHSA-N	1	1	358.486	2.499	20	30		FEEDMO
C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000509657103	561809421	/nfs/dbraw/zinc/80/94/21/561809421.db2.gz	IJFSCRHJDIJESI-IRXDYDNUSA-N	1	1	356.470	2.264	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000509737819	561812433	/nfs/dbraw/zinc/81/24/33/561812433.db2.gz	LZWBIDVCAWOTGI-QZTJIDSGSA-N	1	1	354.454	2.044	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1	ZINC000332273458	554414588	/nfs/dbraw/zinc/41/45/88/554414588.db2.gz	CMGRVIQZMIRDMS-CZUORRHYSA-N	1	1	361.408	2.497	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@](O)(C(F)(F)F)CC1	ZINC000332273458	554414589	/nfs/dbraw/zinc/41/45/89/554414589.db2.gz	CMGRVIQZMIRDMS-CZUORRHYSA-N	1	1	361.408	2.497	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000510555809	561838596	/nfs/dbraw/zinc/83/85/96/561838596.db2.gz	YCYKZRRHYXAJMC-UHFFFAOYSA-N	1	1	370.432	2.124	20	30		FEEDMO
Cc1cc(NC(=O)CC[NH+]2CCN([C@H](C#N)c3ccc(F)cc3)CC2)no1	ZINC000610556662	554528102	/nfs/dbraw/zinc/52/81/02/554528102.db2.gz	NGAIFFVBJHVRFG-QGZVFWFLSA-N	1	1	371.416	2.333	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](CCO)CC2CC2)c1C#N	ZINC000510933329	561851313	/nfs/dbraw/zinc/85/13/13/561851313.db2.gz	CONWFXNSRAEQEI-UHFFFAOYSA-N	1	1	370.453	2.261	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N([C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1=O	ZINC000348550895	554687959	/nfs/dbraw/zinc/68/79/59/554687959.db2.gz	JASGPGLSJWVGIV-SUMWQHHRSA-N	1	1	354.410	2.365	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1=O	ZINC000348550893	554688033	/nfs/dbraw/zinc/68/80/33/554688033.db2.gz	JASGPGLSJWVGIV-DYVFJYSZSA-N	1	1	354.410	2.365	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O	ZINC000348582656	554689906	/nfs/dbraw/zinc/68/99/06/554689906.db2.gz	FIMBHIGQDCUEJD-RYQLBKOJSA-N	1	1	357.454	2.020	20	30		FEEDMO
C[C@H]1CO[C@H](c2noc(-c3cnn(C)c3C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000350189803	554765819	/nfs/dbraw/zinc/76/58/19/554765819.db2.gz	MFFOYYDPWAPEFL-GUYCJALGSA-N	1	1	364.409	2.304	20	30		FEEDMO
C[C@H]1CO[C@H](c2noc(-c3cnn(C)c3C#N)n2)C[N@H+]1Cc1ccccc1	ZINC000350189803	554765820	/nfs/dbraw/zinc/76/58/20/554765820.db2.gz	MFFOYYDPWAPEFL-GUYCJALGSA-N	1	1	364.409	2.304	20	30		FEEDMO
N#Cc1ccc(OCCC[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1	ZINC000360192454	554866537	/nfs/dbraw/zinc/86/65/37/554866537.db2.gz	GSQWGYDNVJAREY-LJQANCHMSA-N	1	1	357.454	2.040	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1	ZINC000360604096	554881640	/nfs/dbraw/zinc/88/16/40/554881640.db2.gz	INQGLACRDGTNFE-SFHVURJKSA-N	1	1	352.482	2.140	20	30		FEEDMO
C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1	ZINC000360604096	554881641	/nfs/dbraw/zinc/88/16/41/554881641.db2.gz	INQGLACRDGTNFE-SFHVURJKSA-N	1	1	352.482	2.140	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H](NC(=O)C3CCC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000360675849	554884647	/nfs/dbraw/zinc/88/46/47/554884647.db2.gz	YHERPJNOGFRHMV-IBGZPJMESA-N	1	1	363.465	2.449	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000361904447	554937527	/nfs/dbraw/zinc/93/75/27/554937527.db2.gz	ACDFCIWXIAMFEG-IAGOWNOFSA-N	1	1	357.454	2.278	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1	ZINC000511630231	561875279	/nfs/dbraw/zinc/87/52/79/561875279.db2.gz	RZAMGLQIGXBBMQ-UKRRQHHQSA-N	1	1	355.360	2.380	20	30		FEEDMO
C=CCN=c1[nH]cc(C(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)s1	ZINC000362380202	554967690	/nfs/dbraw/zinc/96/76/90/554967690.db2.gz	LWPKVDVYZFFCNW-AWEZNQCLSA-N	1	1	360.527	3.078	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1	ZINC000362710092	554983195	/nfs/dbraw/zinc/98/31/95/554983195.db2.gz	HXHJZUFAOGDMTB-APWZRJJASA-N	1	1	356.470	2.373	20	30		FEEDMO
CC(C)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000363000694	555007571	/nfs/dbraw/zinc/00/75/71/555007571.db2.gz	PKKNQBORHRMMSL-UHFFFAOYSA-N	1	1	362.861	2.340	20	30		FEEDMO
CCc1nc([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)no1	ZINC000363103147	555030937	/nfs/dbraw/zinc/03/09/37/555030937.db2.gz	CSSLOMSFSYBGNO-JKSUJKDBSA-N	1	1	356.426	2.123	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000363425715	555102772	/nfs/dbraw/zinc/10/27/72/555102772.db2.gz	GIEWGFVWAYFDBU-NRFANRHFSA-N	1	1	362.477	2.381	20	30		FEEDMO
C=CCNC(=O)c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)nc1	ZINC000363584797	555141707	/nfs/dbraw/zinc/14/17/07/555141707.db2.gz	CMMVXQHXPMUREO-BPQIPLTHSA-N	1	1	358.486	2.299	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(NC(=O)C2CCC2)CC1	ZINC000363653225	555156067	/nfs/dbraw/zinc/15/60/67/555156067.db2.gz	XNINCUUIWRTTRI-CQSZACIVSA-N	1	1	354.454	2.266	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)[C@]2([NH+](C)C)CCOc3ccccc32)n1	ZINC000364243151	555276884	/nfs/dbraw/zinc/27/68/84/555276884.db2.gz	WXACIODJKSCGDZ-NRFANRHFSA-N	1	1	366.465	2.104	20	30		FEEDMO
C=CCN(C(=O)N[C@H](C)Cn1cncn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364294199	555286197	/nfs/dbraw/zinc/28/61/97/555286197.db2.gz	TXTBQYWDCROSPY-MJGOQNOKSA-N	1	1	368.485	2.139	20	30		FEEDMO
CN(C(=O)C[N@@H+](C)C1CCN(c2ncccn2)CC1)C1(C#N)CCCCC1	ZINC000364373224	555301225	/nfs/dbraw/zinc/30/12/25/555301225.db2.gz	GMKUXMQSANMUKE-UHFFFAOYSA-N	1	1	370.501	2.062	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1	ZINC000364429233	555312284	/nfs/dbraw/zinc/31/22/84/555312284.db2.gz	XJJCCRSOVHQYAE-UZLBHIALSA-N	1	1	367.497	2.263	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1	ZINC000364544616	555333903	/nfs/dbraw/zinc/33/39/03/555333903.db2.gz	LHHYROFJVRJYSL-DDTNEUBSSA-N	1	1	359.470	2.286	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@@H]2CCn3c(cnc3-c3ccccc3)C2)CC1	ZINC000364728821	555387205	/nfs/dbraw/zinc/38/72/05/555387205.db2.gz	VHCJJACXMBIFGE-LJQANCHMSA-N	1	1	362.477	2.280	20	30		FEEDMO
C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1F	ZINC000512635653	561910730	/nfs/dbraw/zinc/91/07/30/561910730.db2.gz	HTDYDAWUNFHDHU-DGCLKSJQSA-N	1	1	368.455	2.244	20	30		FEEDMO
C=CCN(C(=O)NCCC(=O)NC(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364919551	555437539	/nfs/dbraw/zinc/43/75/39/555437539.db2.gz	RYQFAWWTUXUOLW-LJQANCHMSA-N	1	1	372.513	2.373	20	30		FEEDMO
C=CC[C@]1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000364930537	555440603	/nfs/dbraw/zinc/44/06/03/555440603.db2.gz	NUCGEMXKPXZKDD-HNAYVOBHSA-N	1	1	351.491	2.400	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CCC[C@@H]2NC(=O)OC(C)(C)C)C1	ZINC000365229511	555517032	/nfs/dbraw/zinc/51/70/32/555517032.db2.gz	QNTXEHIFVGCWEV-DOXZYTNZSA-N	1	1	351.491	2.446	20	30		FEEDMO
N#Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1F	ZINC000513691001	561946778	/nfs/dbraw/zinc/94/67/78/561946778.db2.gz	PPAIBUOHGNDCGM-HXUWFJFHSA-N	1	1	353.397	2.064	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O	ZINC000366422014	555838812	/nfs/dbraw/zinc/83/88/12/555838812.db2.gz	REDAJGBQNGFKNY-INIZCTEOSA-N	1	1	366.483	2.235	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H]1CCS(C)(=O)=O	ZINC000366422014	555838814	/nfs/dbraw/zinc/83/88/14/555838814.db2.gz	REDAJGBQNGFKNY-INIZCTEOSA-N	1	1	366.483	2.235	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)N(C)C[C@H](C)C#N)cc1	ZINC000367139988	556002140	/nfs/dbraw/zinc/00/21/40/556002140.db2.gz	BUPWKOAOLSZOEJ-KGLIPLIRSA-N	1	1	361.471	2.168	20	30		FEEDMO
N#C[C@]1(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CCc2ccccc2C1	ZINC000367699567	556117750	/nfs/dbraw/zinc/11/77/50/556117750.db2.gz	QYVMDKLSZQYWJF-FPOVZHCZSA-N	1	1	355.482	2.038	20	30		FEEDMO
N#Cc1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)C2)c(OC(F)F)c1	ZINC000514871287	561984549	/nfs/dbraw/zinc/98/45/49/561984549.db2.gz	SCWLIESCANLZCR-MRXNPFEDSA-N	1	1	351.397	2.456	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c(OC(F)F)c1	ZINC000514871287	561984551	/nfs/dbraw/zinc/98/45/51/561984551.db2.gz	SCWLIESCANLZCR-MRXNPFEDSA-N	1	1	351.397	2.456	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)c(OC(F)F)c1	ZINC000514871287	561984552	/nfs/dbraw/zinc/98/45/52/561984552.db2.gz	SCWLIESCANLZCR-MRXNPFEDSA-N	1	1	351.397	2.456	20	30		FEEDMO
C#CCN(Cc1ccccc1)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1	ZINC000367813595	556146013	/nfs/dbraw/zinc/14/60/13/556146013.db2.gz	HFDCONUKDQWVOB-UHFFFAOYSA-N	1	1	350.466	2.387	20	30		FEEDMO
C#CCN(Cc1ccccc1)C(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1	ZINC000367813595	556146015	/nfs/dbraw/zinc/14/60/15/556146015.db2.gz	HFDCONUKDQWVOB-UHFFFAOYSA-N	1	1	350.466	2.387	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000367851262	556155086	/nfs/dbraw/zinc/15/50/86/556155086.db2.gz	XXWBGVNIRPUUTJ-FQEVSTJZSA-N	1	1	369.490	2.500	20	30		FEEDMO
N#Cc1ccc(CCC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1	ZINC000515030520	561992785	/nfs/dbraw/zinc/99/27/85/561992785.db2.gz	AEGVOENEIYQCBX-UHFFFAOYSA-N	1	1	362.477	2.429	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C[C@H]21	ZINC000368588666	556354264	/nfs/dbraw/zinc/35/42/64/556354264.db2.gz	GTYOYNBGAGDOMC-PKOBYXMFSA-N	1	1	368.481	2.266	20	30		FEEDMO
Cc1noc(C)c1CO[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000368853075	556429800	/nfs/dbraw/zinc/42/98/00/556429800.db2.gz	ICDKJLXGAUAJGA-PKOBYXMFSA-N	1	1	371.437	2.194	20	30		FEEDMO
CCCCCCCS(=O)(=O)N1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000369105882	556506793	/nfs/dbraw/zinc/50/67/93/556506793.db2.gz	BRWHBDSJFGDXSH-ROUUACIJSA-N	1	1	359.580	2.244	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1	ZINC000369385459	556587010	/nfs/dbraw/zinc/58/70/10/556587010.db2.gz	KJSHEZBKNFJUAC-KRWDZBQOSA-N	1	1	354.454	2.221	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1	ZINC000369385459	556587013	/nfs/dbraw/zinc/58/70/13/556587013.db2.gz	KJSHEZBKNFJUAC-KRWDZBQOSA-N	1	1	354.454	2.221	20	30		FEEDMO
C[N@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1cccc(Cl)c1	ZINC000369403174	556592478	/nfs/dbraw/zinc/59/24/78/556592478.db2.gz	UNMNSGRFKPLFNM-PVAVHDDUSA-N	1	1	362.861	2.267	20	30		FEEDMO
N#CC[C@@H](CC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1	ZINC000369530085	556621893	/nfs/dbraw/zinc/62/18/93/556621893.db2.gz	GFRSGFWFKYMIGG-HKUYNNGSSA-N	1	1	368.481	2.015	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000516252635	562037461	/nfs/dbraw/zinc/03/74/61/562037461.db2.gz	JOYAYTZWFWGNHV-MUGJNUQGSA-N	1	1	358.482	2.109	20	30		FEEDMO
C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C	ZINC000516514637	562045563	/nfs/dbraw/zinc/04/55/63/562045563.db2.gz	CEXHMYAGACHDMY-JYJNAYRXSA-N	1	1	351.495	2.107	20	30		FEEDMO
Cc1ccc(NC(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1Cl	ZINC000370124643	556787160	/nfs/dbraw/zinc/78/71/60/556787160.db2.gz	XBJQDQPGFUNDFL-UHFFFAOYSA-N	1	1	358.833	2.387	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3ccc(C#N)nc3)CC2)C[C@H](C)O1	ZINC000370207013	556810963	/nfs/dbraw/zinc/81/09/63/556810963.db2.gz	GEMLRPPKNCZHPX-IYBDPMFKSA-N	1	1	356.470	2.305	20	30		FEEDMO
N#CCC1(CS(=O)(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1	ZINC000516848479	562060111	/nfs/dbraw/zinc/06/01/11/562060111.db2.gz	DBSXIGOHTXQVMT-HDICACEKSA-N	1	1	359.495	2.074	20	30		FEEDMO
CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000370583579	556914302	/nfs/dbraw/zinc/91/43/02/556914302.db2.gz	OVTACDKJMYVAKJ-MRXNPFEDSA-N	1	1	351.406	2.217	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000370695703	556942549	/nfs/dbraw/zinc/94/25/49/556942549.db2.gz	CKRJLLVLAFXEOZ-DENIHFKCSA-N	1	1	369.557	2.494	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@H]1N1CCN(C)CC1	ZINC000370695703	556942551	/nfs/dbraw/zinc/94/25/51/556942551.db2.gz	CKRJLLVLAFXEOZ-DENIHFKCSA-N	1	1	369.557	2.494	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)CC1	ZINC000370942580	557023869	/nfs/dbraw/zinc/02/38/69/557023869.db2.gz	QRZKFWFTDSDJTI-KXBFYZLASA-N	1	1	374.554	2.123	20	30		FEEDMO
N#Cc1ccc(F)c(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1	ZINC000371213126	557108733	/nfs/dbraw/zinc/10/87/33/557108733.db2.gz	QSMCDSWZDGPOTJ-ZWKOTPCHSA-N	1	1	360.433	2.140	20	30		FEEDMO
N#Cc1ccc(F)c(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1	ZINC000371213125	557109004	/nfs/dbraw/zinc/10/90/04/557109004.db2.gz	QSMCDSWZDGPOTJ-ROUUACIJSA-N	1	1	360.433	2.140	20	30		FEEDMO
C[NH+](C)CCN1CCC(CNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1	ZINC000371514290	557207188	/nfs/dbraw/zinc/20/71/88/557207188.db2.gz	LWCZVESLGIWQTE-QFIPXVFZSA-N	1	1	368.525	2.075	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	ZINC000517680856	562095355	/nfs/dbraw/zinc/09/53/55/562095355.db2.gz	JWDFCILPWMBPJY-KRWDZBQOSA-N	1	1	366.421	2.196	20	30		FEEDMO
CC(C)c1nccc(C2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)n1	ZINC000372293068	557431826	/nfs/dbraw/zinc/43/18/26/557431826.db2.gz	GIDKUXWXTLIHMT-UHFFFAOYSA-N	1	1	368.485	2.435	20	30		FEEDMO
C=CCN(C(=O)NCc1nccn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372471364	557479365	/nfs/dbraw/zinc/47/93/65/557479365.db2.gz	IEONAQPKNUKBPM-SFHVURJKSA-N	1	1	353.470	2.392	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2	ZINC000372545229	557499539	/nfs/dbraw/zinc/49/95/39/557499539.db2.gz	IHFOINJMIFNICT-PHZGNYQRSA-N	1	1	364.490	2.269	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1	ZINC000519771610	562143267	/nfs/dbraw/zinc/14/32/67/562143267.db2.gz	WRCNFCRLYFGPKC-UHFFFAOYSA-N	1	1	353.444	2.086	20	30		FEEDMO
C=CC[N@@H+](C[C@H](O)COC(C)(C)C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000520195995	562150272	/nfs/dbraw/zinc/15/02/72/562150272.db2.gz	UBEDMFBUWOPHKA-QAPCUYQASA-N	1	1	359.474	2.387	20	30		FEEDMO
COC(=O)[C@]12C[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C[C@H]1COCC2	ZINC000373487920	557702920	/nfs/dbraw/zinc/70/29/20/557702920.db2.gz	FFZNLHKQTZUGCW-FXAWDEMLSA-N	1	1	357.454	2.048	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@H](NC(=O)C[C@@H](CC#N)c3ccccc3)C2)CC1	ZINC000373507426	557707181	/nfs/dbraw/zinc/70/71/81/557707181.db2.gz	IAHSYEDIVWTFHQ-MOPGFXCFSA-N	1	1	354.498	2.359	20	30		FEEDMO
C[NH+]1CCC(N2CC[C@H](NC(=O)C[C@@H](CC#N)c3ccccc3)C2)CC1	ZINC000373507426	557707185	/nfs/dbraw/zinc/70/71/85/557707185.db2.gz	IAHSYEDIVWTFHQ-MOPGFXCFSA-N	1	1	354.498	2.359	20	30		FEEDMO
COc1ccccc1CC1(O)CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000373968150	557798151	/nfs/dbraw/zinc/79/81/51/557798151.db2.gz	HYHIPJNFQTYUKT-FQEVSTJZSA-N	1	1	373.497	2.119	20	30		FEEDMO
CN(C(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1)c1ccccc1	ZINC000374046176	557813320	/nfs/dbraw/zinc/81/33/20/557813320.db2.gz	RJLDQYOEXOTBCX-KRWDZBQOSA-N	1	1	362.433	2.482	20	30		FEEDMO
CN(C(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1)c1ccccc1	ZINC000374046176	557813322	/nfs/dbraw/zinc/81/33/22/557813322.db2.gz	RJLDQYOEXOTBCX-KRWDZBQOSA-N	1	1	362.433	2.482	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)NCCc2cccc(C#N)c2)[C@@H]1c1cccnc1	ZINC000374192990	557841524	/nfs/dbraw/zinc/84/15/24/557841524.db2.gz	JNKNTVFAQXTVKM-PMACEKPBSA-N	1	1	363.465	2.488	20	30		FEEDMO
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCC(=O)Nc1ccccc1C#N	ZINC000374431858	557883226	/nfs/dbraw/zinc/88/32/26/557883226.db2.gz	ZASBXFDSJYZPDE-NZSAHSFTSA-N	1	1	356.470	2.070	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)cc1	ZINC000374559281	557899606	/nfs/dbraw/zinc/89/96/06/557899606.db2.gz	FZZQKHHLCWHALI-UNMCSNQZSA-N	1	1	366.461	2.324	20	30		FEEDMO
Cn1cc([C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2ccccc2)cn1	ZINC000374613810	557906795	/nfs/dbraw/zinc/90/67/95/557906795.db2.gz	PJKIITLTQVKNMC-LJQANCHMSA-N	1	1	351.454	2.442	20	30		FEEDMO
C[C@@H](NC(=O)N[C@H]1CCCN(c2ccccc2C#N)C1)C1=CC[N@@H+](C)CC1	ZINC000374752068	557925574	/nfs/dbraw/zinc/92/55/74/557925574.db2.gz	QXMUQFAGBXFNRX-APWZRJJASA-N	1	1	367.497	2.477	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)cc1Cl	ZINC000375105828	557978985	/nfs/dbraw/zinc/97/89/85/557978985.db2.gz	ONBSAHRAJFXXLH-UHFFFAOYSA-N	1	1	350.831	2.223	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNCc2nc(C#N)cs2)CC1	ZINC000521519285	562178025	/nfs/dbraw/zinc/17/80/25/562178025.db2.gz	OHNUQHVPZQZOKE-UHFFFAOYSA-N	1	1	355.511	2.442	20	30		FEEDMO
CCN(CCC#N)C(=O)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000375762096	558078771	/nfs/dbraw/zinc/07/87/71/558078771.db2.gz	XRFZULNUPABUKH-NRFANRHFSA-N	1	1	354.498	2.347	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(c2nnc3n2CCC3)CC1)C1(C#N)CCCCC1	ZINC000375772117	558079597	/nfs/dbraw/zinc/07/95/97/558079597.db2.gz	JFVBKCNLSCJJOP-UHFFFAOYSA-N	1	1	370.501	2.089	20	30		FEEDMO
CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000375790752	558080024	/nfs/dbraw/zinc/08/00/24/558080024.db2.gz	LDQNXYIMJGCBHM-MOPGFXCFSA-N	1	1	368.481	2.040	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000376092310	558125971	/nfs/dbraw/zinc/12/59/71/558125971.db2.gz	FPIVVYIEUDGQOH-CVEARBPZSA-N	1	1	356.470	2.070	20	30		FEEDMO
N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000376191672	558138817	/nfs/dbraw/zinc/13/88/17/558138817.db2.gz	ZGJUALGZBOMYAY-VXGBXAGGSA-N	1	1	362.355	2.221	20	30		FEEDMO
Cc1ccn2c(c1)nnc2C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000376234224	558145300	/nfs/dbraw/zinc/14/53/00/558145300.db2.gz	ZQXHHWSTEUAOFO-HXUWFJFHSA-N	1	1	366.469	2.026	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1cccs1	ZINC000376265102	558149638	/nfs/dbraw/zinc/14/96/38/558149638.db2.gz	KDKBSEZGSISDGC-NHYWBVRUSA-N	1	1	351.453	2.184	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H](C(=O)NCc3c[nH+]c4n3CCCC4)C2)c(F)c1	ZINC000376473518	558177821	/nfs/dbraw/zinc/17/78/21/558177821.db2.gz	HWTQXWVWGRVYSU-OAHLLOKOSA-N	1	1	367.428	2.373	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c1	ZINC000376541339	558187722	/nfs/dbraw/zinc/18/77/22/558187722.db2.gz	OSLLDOWZUGVKMN-RBUKOAKNSA-N	1	1	365.408	2.307	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1	ZINC000376541339	558187724	/nfs/dbraw/zinc/18/77/24/558187724.db2.gz	OSLLDOWZUGVKMN-RBUKOAKNSA-N	1	1	365.408	2.307	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c1	ZINC000376541340	558187729	/nfs/dbraw/zinc/18/77/29/558187729.db2.gz	OSLLDOWZUGVKMN-RTBURBONSA-N	1	1	365.408	2.307	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1	ZINC000376541340	558187730	/nfs/dbraw/zinc/18/77/30/558187730.db2.gz	OSLLDOWZUGVKMN-RTBURBONSA-N	1	1	365.408	2.307	20	30		FEEDMO
C[NH+]1CCN(C[C@@H]2CCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1	ZINC000376879206	558233155	/nfs/dbraw/zinc/23/31/55/558233155.db2.gz	BYGMUPVKPJMDLU-SFHVURJKSA-N	1	1	366.509	2.341	20	30		FEEDMO
CC(C)c1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1cccnc1C#N	ZINC000376985322	558248386	/nfs/dbraw/zinc/24/83/86/558248386.db2.gz	MDBSAMBNHPMOPZ-AWEZNQCLSA-N	1	1	359.455	2.126	20	30		FEEDMO
C=C(CNC(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1)c1ccccc1	ZINC000377078468	558261717	/nfs/dbraw/zinc/26/17/17/558261717.db2.gz	NPEALLWSTAIUQY-LJQANCHMSA-N	1	1	356.514	2.369	20	30		FEEDMO
Cc1cc(=NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)[nH]n1CCC#N	ZINC000377578228	558369883	/nfs/dbraw/zinc/36/98/83/558369883.db2.gz	BKELKWNAXHHNNN-AEFFLSMTSA-N	1	1	366.469	2.890	20	30		FEEDMO
COc1cc(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)ccc1C#N	ZINC000377690382	558398056	/nfs/dbraw/zinc/39/80/56/558398056.db2.gz	GGVSPNPTAVEVKW-QZTJIDSGSA-N	1	1	373.453	2.436	20	30		FEEDMO
CC(C)c1nccn1C[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000377717469	558404385	/nfs/dbraw/zinc/40/43/85/558404385.db2.gz	IGDDKDFGPAXLGD-QGZVFWFLSA-N	1	1	356.474	2.127	20	30		FEEDMO
N#CC1(NC(=O)CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1	ZINC000377771263	558416549	/nfs/dbraw/zinc/41/65/49/558416549.db2.gz	FPLHVLNAVRRDQG-OALUTQOASA-N	1	1	352.482	2.003	20	30		FEEDMO
N#CC1(NC(=O)CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1	ZINC000377771265	558416866	/nfs/dbraw/zinc/41/68/66/558416866.db2.gz	FPLHVLNAVRRDQG-RBUKOAKNSA-N	1	1	352.482	2.003	20	30		FEEDMO
CN(C)C(=O)C[N@H+]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000377983540	558457686	/nfs/dbraw/zinc/45/76/86/558457686.db2.gz	CNZWMDKOTGKWSF-UHFFFAOYSA-N	1	1	367.415	2.153	20	30		FEEDMO
N#Cc1ccc(Cn2cnc(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)n2)cc1	ZINC000378008442	558461976	/nfs/dbraw/zinc/46/19/76/558461976.db2.gz	IPQCBDXQCYCRLK-DLBZAZTESA-N	1	1	350.426	2.011	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1C#N	ZINC000390767723	558611997	/nfs/dbraw/zinc/61/19/97/558611997.db2.gz	SIBLQYMHTBUOME-AWEZNQCLSA-N	1	1	358.467	2.061	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)c(F)c1	ZINC000523818310	562220462	/nfs/dbraw/zinc/22/04/62/562220462.db2.gz	ZKGQPNWSHQJIOR-IEBWSBKVSA-N	1	1	371.460	2.156	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1	ZINC000409527828	558700535	/nfs/dbraw/zinc/70/05/35/558700535.db2.gz	IHLZNPNDRLTOCY-HZPDHXFCSA-N	1	1	368.503	2.123	20	30		FEEDMO
CCc1ccc([C@H](CNS(=O)(=O)N(CC)C[C@H](C)C#N)[NH+](C)C)cc1	ZINC000409551336	558702574	/nfs/dbraw/zinc/70/25/74/558702574.db2.gz	IIQQZBZWYIJBHM-QAPCUYQASA-N	1	1	366.531	2.168	20	30		FEEDMO
C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1	ZINC000409747426	558718327	/nfs/dbraw/zinc/71/83/27/558718327.db2.gz	MZVPQNLNRXQTTN-NUJGCVRESA-N	1	1	366.469	2.222	20	30		FEEDMO
CC[N@@H+](CCC1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1)CC1CC1	ZINC000409888475	558724732	/nfs/dbraw/zinc/72/47/32/558724732.db2.gz	BHXFMFJIQBMXLM-HNNXBMFYSA-N	1	1	358.490	2.071	20	30		FEEDMO
C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1=O	ZINC000410108731	558739061	/nfs/dbraw/zinc/73/90/61/558739061.db2.gz	XTWMWPMMKBYYLR-IEBWSBKVSA-N	1	1	373.472	2.283	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC000410670397	558796848	/nfs/dbraw/zinc/79/68/48/558796848.db2.gz	PXAILSNUXWFTHY-MRXNPFEDSA-N	1	1	371.481	2.223	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@H](C)C1	ZINC000410670397	558796849	/nfs/dbraw/zinc/79/68/49/558796849.db2.gz	PXAILSNUXWFTHY-MRXNPFEDSA-N	1	1	371.481	2.223	20	30		FEEDMO
C=CC[N@H+](CCOC[C@@H]1CCCO1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000525487015	562249336	/nfs/dbraw/zinc/24/93/36/562249336.db2.gz	QZYCKIYTPUZHTQ-APWZRJJASA-N	1	1	357.458	2.407	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1	ZINC000525836586	562256818	/nfs/dbraw/zinc/25/68/18/562256818.db2.gz	DJLJVMDJOGLZFM-UHFFFAOYSA-N	1	1	372.469	2.084	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[NH2+]C2(C(=O)N(C)C)CC2)ccc1Cl	ZINC000411915978	558987620	/nfs/dbraw/zinc/98/76/20/558987620.db2.gz	UIHAVLFLXYFYEO-UHFFFAOYSA-N	1	1	362.861	2.106	20	30		FEEDMO
N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1	ZINC000411974228	558997994	/nfs/dbraw/zinc/99/79/94/558997994.db2.gz	UOEVLVYZHUDXEP-DOTOQJQBSA-N	1	1	350.378	2.167	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1	ZINC000412074432	559010018	/nfs/dbraw/zinc/01/00/18/559010018.db2.gz	RAANSCVBXUFFFC-LSDHHAIUSA-N	1	1	367.490	2.221	20	30		FEEDMO
Cc1ccc(C(=O)NC2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)s1	ZINC000527048401	562274689	/nfs/dbraw/zinc/27/46/89/562274689.db2.gz	HWXAWNFTJKVPMY-AWEZNQCLSA-N	1	1	374.510	2.202	20	30		FEEDMO
CC(C)(C)c1csc(NC(=O)C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1C#N	ZINC000415794901	559271874	/nfs/dbraw/zinc/27/18/74/559271874.db2.gz	XVOSKXOXJMFPFW-QGZVFWFLSA-N	1	1	366.462	2.016	20	30		FEEDMO
COc1ccccc1[C@H](CNS(=O)(=O)[C@@H](C)C#N)[NH+]1CCCCC1	ZINC000416368446	559307909	/nfs/dbraw/zinc/30/79/09/559307909.db2.gz	HMCDGLMDYLPIKP-HOCLYGCPSA-N	1	1	351.472	2.054	20	30		FEEDMO
CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)n1C	ZINC000416677622	559329243	/nfs/dbraw/zinc/32/92/43/559329243.db2.gz	DDHBXNUSEVDABE-QGZVFWFLSA-N	1	1	352.442	2.235	20	30		FEEDMO
C=CCN(C(=O)N[C@@H]1CC[N@H+](CC)C1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000416735081	559330557	/nfs/dbraw/zinc/33/05/57/559330557.db2.gz	PVNCRHABAGULOA-NVXWUHKLSA-N	1	1	369.473	2.015	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC[N@H+]1CC(C)(C)O	ZINC000419619004	559450249	/nfs/dbraw/zinc/45/02/49/559450249.db2.gz	PEXXUMKCKDHEER-DNVCBOLYSA-N	1	1	370.497	2.422	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000419643843	559451376	/nfs/dbraw/zinc/45/13/76/559451376.db2.gz	OJHLKHHHWKBWEP-DNVCBOLYSA-N	1	1	370.497	2.422	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccc(C#N)s2)C[C@@H](C)O1	ZINC000420880685	559509150	/nfs/dbraw/zinc/50/91/50/559509150.db2.gz	DIDQVDPZILIUAN-CHWSQXEVSA-N	1	1	350.488	2.307	20	30		FEEDMO
C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000421021533	559520323	/nfs/dbraw/zinc/52/03/23/559520323.db2.gz	OKELNXRGVBUYDF-CRAIPNDOSA-N	1	1	371.481	2.474	20	30		FEEDMO
C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000421021533	559520324	/nfs/dbraw/zinc/52/03/24/559520324.db2.gz	OKELNXRGVBUYDF-CRAIPNDOSA-N	1	1	371.481	2.474	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2CCC[N@@H+](CC)CC2)c(C#N)cn1CC	ZINC000421167623	559528421	/nfs/dbraw/zinc/52/84/21/559528421.db2.gz	UYTFJUZNHYCYFF-UHFFFAOYSA-N	1	1	361.446	2.116	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000421292768	559536321	/nfs/dbraw/zinc/53/63/21/559536321.db2.gz	BSXKZWXHQKCTBB-GFCCVEGCSA-N	1	1	362.499	2.408	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000421315062	559538760	/nfs/dbraw/zinc/53/87/60/559538760.db2.gz	ZROPCGHUERBHFN-INIZCTEOSA-N	1	1	372.469	2.227	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC	ZINC000422310112	559577598	/nfs/dbraw/zinc/57/75/98/559577598.db2.gz	VMGRELVLBMNRKN-OALUTQOASA-N	1	1	357.498	2.281	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC(C)(C)CC#N	ZINC000422343174	559580095	/nfs/dbraw/zinc/58/00/95/559580095.db2.gz	SGPJNNMNURFVAA-SJLPKXTDSA-N	1	1	370.497	2.069	20	30		FEEDMO
CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NCC(C)(C)CC#N)CC1	ZINC000422491247	559591763	/nfs/dbraw/zinc/59/17/63/559591763.db2.gz	SXHWOBQCJUPLBE-UHFFFAOYSA-N	1	1	350.507	2.013	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000422547724	559594453	/nfs/dbraw/zinc/59/44/53/559594453.db2.gz	XNWIZNSAROLGTM-UXHICEINSA-N	1	1	371.525	2.480	20	30		FEEDMO
C=CCC1(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCOCC1	ZINC000424755666	559675686	/nfs/dbraw/zinc/67/56/86/559675686.db2.gz	RNIPAURDSRENRA-DFNIBXOVSA-N	1	1	361.530	2.129	20	30		FEEDMO
C[N@H+]1C[C@@H]2CCCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@@H]2C1	ZINC000425057750	559685708	/nfs/dbraw/zinc/68/57/08/559685708.db2.gz	NCXLGRINPVZUPL-FUHWJXTLSA-N	1	1	354.454	2.220	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C	ZINC000425386772	559699395	/nfs/dbraw/zinc/69/93/95/559699395.db2.gz	PUJKHXLCJSMHAI-QFBILLFUSA-N	1	1	370.497	2.410	20	30		FEEDMO
C=CCn1cc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](CC)C2)nn1	ZINC000425562724	559709942	/nfs/dbraw/zinc/70/99/42/559709942.db2.gz	GXMRVRJQFHUEEL-IBGZPJMESA-N	1	1	368.485	2.270	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000425995178	559727073	/nfs/dbraw/zinc/72/70/73/559727073.db2.gz	TVVOZFJCHZORFE-DENIHFKCSA-N	1	1	371.525	2.144	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1cccnc1C#N)C1CC1	ZINC000428426890	559775262	/nfs/dbraw/zinc/77/52/62/559775262.db2.gz	YXYMPCXFTMNLSI-GOSISDBHSA-N	1	1	370.478	2.142	20	30		FEEDMO
COCCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1	ZINC000428538977	559777440	/nfs/dbraw/zinc/77/74/40/559777440.db2.gz	OZYCTGDCWYHPAK-UHFFFAOYSA-N	1	1	362.426	2.407	20	30		FEEDMO
C=CCCOCCNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000428975791	559787208	/nfs/dbraw/zinc/78/72/08/559787208.db2.gz	ISWIYVVTOZFBCE-SFHVURJKSA-N	1	1	363.527	2.496	20	30		FEEDMO
C=CCCOCCNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000428975791	559787209	/nfs/dbraw/zinc/78/72/09/559787209.db2.gz	ISWIYVVTOZFBCE-SFHVURJKSA-N	1	1	363.527	2.496	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@]2(CC[N@@H+](C)C2)C1	ZINC000429012118	559788250	/nfs/dbraw/zinc/78/82/50/559788250.db2.gz	UJLXIECYHBVVIB-BFUOFWGJSA-N	1	1	358.511	2.463	20	30		FEEDMO
C[C@H]1C[C@@H]1[N@H+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)C1	ZINC000429019506	559788829	/nfs/dbraw/zinc/78/88/29/559788829.db2.gz	JNKUVQHNZFLHMN-GJJHYRHESA-N	1	1	352.482	2.326	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)OC)C2)C1=O	ZINC000429113461	559791005	/nfs/dbraw/zinc/79/10/05/559791005.db2.gz	IILHAEWEIBJVSD-GVDBMIGSSA-N	1	1	362.857	2.315	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(C#N)o3)cc2)CC1	ZINC000429860482	559807379	/nfs/dbraw/zinc/80/73/79/559807379.db2.gz	PIRPLOHHRKIWRQ-UHFFFAOYSA-N	1	1	352.438	2.219	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)NCC2(CC#N)CC2)[C@@H](c2ccccc2)C1	ZINC000430178155	559814885	/nfs/dbraw/zinc/81/48/85/559814885.db2.gz	NWTXFMSBUPNARQ-LJQANCHMSA-N	1	1	369.513	2.358	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)NCC2(CC#N)CC2)[C@@H](c2ccccc2)C1	ZINC000430178155	559814886	/nfs/dbraw/zinc/81/48/86/559814886.db2.gz	NWTXFMSBUPNARQ-LJQANCHMSA-N	1	1	369.513	2.358	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)NCC2(CC#N)CC2)[C@@H](c2ccccc2)C1	ZINC000430178155	559814887	/nfs/dbraw/zinc/81/48/87/559814887.db2.gz	NWTXFMSBUPNARQ-LJQANCHMSA-N	1	1	369.513	2.358	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCN1CCOC(C)(C)C1	ZINC000434699476	559906575	/nfs/dbraw/zinc/90/65/75/559906575.db2.gz	LAEXRVCMAVCXPJ-SFHVURJKSA-N	1	1	372.513	2.364	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCN1CCOC(C)(C)C1	ZINC000434699476	559906576	/nfs/dbraw/zinc/90/65/76/559906576.db2.gz	LAEXRVCMAVCXPJ-SFHVURJKSA-N	1	1	372.513	2.364	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)C[C@@H]1[NH+]1CCOCC1	ZINC000435090248	559916008	/nfs/dbraw/zinc/91/60/08/559916008.db2.gz	ACBHZVJKZYHPOP-MJGOQNOKSA-N	1	1	353.466	2.159	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000435651771	559927381	/nfs/dbraw/zinc/92/73/81/559927381.db2.gz	XQTYSGKTNNXGFA-MRXNPFEDSA-N	1	1	360.433	2.407	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(c2[nH+]ccn2C)CC1	ZINC000436456817	559941963	/nfs/dbraw/zinc/94/19/63/559941963.db2.gz	UUWSWVUQYIRANQ-SFHVURJKSA-N	1	1	367.453	2.044	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1	ZINC000438442206	559979170	/nfs/dbraw/zinc/97/91/70/559979170.db2.gz	JDTPDKMZXJLMQA-SQNIBIBYSA-N	1	1	353.507	2.110	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1	ZINC000439476397	559995073	/nfs/dbraw/zinc/99/50/73/559995073.db2.gz	FWZGQFASIJFERB-CWFSZBLJSA-N	1	1	363.502	2.485	20	30		FEEDMO
N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](c3nc[nH]n3)C[C@H]2O)c(C(F)(F)F)c1	ZINC000527570183	562295258	/nfs/dbraw/zinc/29/52/58/562295258.db2.gz	KYKYSQQSVISWJA-GZBFAFLISA-N	1	1	365.359	2.339	20	30		FEEDMO
C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000442928110	560062567	/nfs/dbraw/zinc/06/25/67/560062567.db2.gz	CQYMOFXBANKWTC-LLVKDONJSA-N	1	1	357.332	2.364	20	30		FEEDMO
COC(=O)Cn1cc(CC[N@H+](Cc2ccc(C#N)cc2)CC(C)C)nn1	ZINC000446856600	560152758	/nfs/dbraw/zinc/15/27/58/560152758.db2.gz	ILGXTZQANFRJES-UHFFFAOYSA-N	1	1	355.442	2.023	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C	ZINC000447926737	560173474	/nfs/dbraw/zinc/17/34/74/560173474.db2.gz	NDHCSULSQLJQMI-YYWHXJBOSA-N	1	1	373.497	2.083	20	30		FEEDMO
C=CCCCNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1	ZINC000448372595	560185933	/nfs/dbraw/zinc/18/59/33/560185933.db2.gz	CMBFWRNNWXPPQL-HZPDHXFCSA-N	1	1	359.470	2.317	20	30		FEEDMO
CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000448763076	560198197	/nfs/dbraw/zinc/19/81/97/560198197.db2.gz	MVKMQBGCTQILGQ-ZFWWWQNUSA-N	1	1	374.872	2.023	20	30		FEEDMO
C=CC[N@@H+](Cc1c(C)nnn1CC)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000449024341	560212925	/nfs/dbraw/zinc/21/29/25/560212925.db2.gz	AKXDFNBJZXKJOQ-HNNXBMFYSA-N	1	1	352.446	2.331	20	30		FEEDMO
C=CC[N@H+](Cc1c(C)nnn1CC)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000449024341	560212927	/nfs/dbraw/zinc/21/29/27/560212927.db2.gz	AKXDFNBJZXKJOQ-HNNXBMFYSA-N	1	1	352.446	2.331	20	30		FEEDMO
C[C@@H]1C[C@H]1c1nnc2ccc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)nn21	ZINC000450220953	560254323	/nfs/dbraw/zinc/25/43/23/560254323.db2.gz	MVWLLJHBISXEQU-CRAIPNDOSA-N	1	1	373.464	2.442	20	30		FEEDMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ncc(C#N)cc1[N+](=O)[O-]	ZINC000450350548	560259425	/nfs/dbraw/zinc/25/94/25/560259425.db2.gz	XIRSEBIDTYQPID-UHFFFAOYSA-N	1	1	366.425	2.120	20	30		FEEDMO
CC(C)(C)OC(=O)C[N@H+](CC1CC1)C1CC(Nc2nccc(C#N)n2)C1	ZINC000450478815	560263639	/nfs/dbraw/zinc/26/36/39/560263639.db2.gz	JHLNAMMCQQQPFJ-UHFFFAOYSA-N	1	1	357.458	2.345	20	30		FEEDMO
CC(C)(C)OC(=O)C[N@@H+](CC1CC1)C1CC(Nc2nccc(C#N)n2)C1	ZINC000450478815	560263640	/nfs/dbraw/zinc/26/36/40/560263640.db2.gz	JHLNAMMCQQQPFJ-UHFFFAOYSA-N	1	1	357.458	2.345	20	30		FEEDMO
N#Cc1c(C#N)c(NC[C@@H]2CCC[N@@H+]2CCCO)nc2c1CCCCCC2	ZINC000450591519	560267355	/nfs/dbraw/zinc/26/73/55/560267355.db2.gz	GHIPFVPMLINZGM-INIZCTEOSA-N	1	1	367.497	2.743	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1	ZINC000451031760	560283625	/nfs/dbraw/zinc/28/36/25/560283625.db2.gz	XMCPJKVGYATLHT-QINHECLXSA-N	1	1	373.501	2.044	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1	ZINC000451031760	560283626	/nfs/dbraw/zinc/28/36/26/560283626.db2.gz	XMCPJKVGYATLHT-QINHECLXSA-N	1	1	373.501	2.044	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000451168483	560290967	/nfs/dbraw/zinc/29/09/67/560290967.db2.gz	JZQISJZMZQDKMZ-ZACQAIPSSA-N	1	1	366.502	2.232	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000451168483	560290968	/nfs/dbraw/zinc/29/09/68/560290968.db2.gz	JZQISJZMZQDKMZ-ZACQAIPSSA-N	1	1	366.502	2.232	20	30		FEEDMO
N#CCc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(Cl)c1	ZINC000451247508	560295623	/nfs/dbraw/zinc/29/56/23/560295623.db2.gz	MQZWCVSZCMXNNV-CQSZACIVSA-N	1	1	351.859	2.041	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H](C)C(C)(C)O	ZINC000451356465	560302462	/nfs/dbraw/zinc/30/24/62/560302462.db2.gz	ASYFAIXPCKAIKZ-OAHLLOKOSA-N	1	1	364.490	2.043	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[S@@](=O)C(C)(C)CC1	ZINC000451753236	560326577	/nfs/dbraw/zinc/32/65/77/560326577.db2.gz	AMMTUSMQIIEKEF-BXKMTCNYSA-N	1	1	351.512	2.388	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[S@@](=O)C(C)(C)CC1	ZINC000451753236	560326578	/nfs/dbraw/zinc/32/65/78/560326578.db2.gz	AMMTUSMQIIEKEF-BXKMTCNYSA-N	1	1	351.512	2.388	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1C#N	ZINC000452792485	560374221	/nfs/dbraw/zinc/37/42/21/560374221.db2.gz	GHFXLKPCKDJHEJ-CQSZACIVSA-N	1	1	374.510	2.129	20	30		FEEDMO
C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1	ZINC000453450955	560386927	/nfs/dbraw/zinc/38/69/27/560386927.db2.gz	RLBCVKYBINTKCC-KRWDZBQOSA-N	1	1	357.506	2.245	20	30		FEEDMO
C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC[N@H+](C(C)C)CC1	ZINC000453456242	560387112	/nfs/dbraw/zinc/38/71/12/560387112.db2.gz	YLEYFAYQHLDAPV-UHFFFAOYSA-N	1	1	362.522	2.303	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453613683	560391320	/nfs/dbraw/zinc/39/13/20/560391320.db2.gz	NUJKAAMYSJLPHN-OWCLPIDISA-N	1	1	356.470	2.174	20	30		FEEDMO
N#CCc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1	ZINC000453659158	560394176	/nfs/dbraw/zinc/39/41/76/560394176.db2.gz	OTCMDTDCWPVBST-SFHVURJKSA-N	1	1	354.454	2.072	20	30		FEEDMO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N[C@@H]2CCc3nc[nH]c3C2)s1	ZINC000453760488	560402306	/nfs/dbraw/zinc/40/23/06/560402306.db2.gz	KIWDPKPZSHZUGA-LLVKDONJSA-N	1	1	371.466	2.253	20	30		FEEDMO
C=C(C)CCNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000454285731	560437961	/nfs/dbraw/zinc/43/79/61/560437961.db2.gz	HCBQABUKNALAAQ-UHFFFAOYSA-N	1	1	374.485	2.113	20	30		FEEDMO
C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000455770905	560494510	/nfs/dbraw/zinc/49/45/10/560494510.db2.gz	MYIROJQLEKESSG-AWEZNQCLSA-N	1	1	360.458	2.266	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000455770905	560494511	/nfs/dbraw/zinc/49/45/11/560494511.db2.gz	MYIROJQLEKESSG-AWEZNQCLSA-N	1	1	360.458	2.266	20	30		FEEDMO
CC(C)OCC[NH+]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000455793160	560494843	/nfs/dbraw/zinc/49/48/43/560494843.db2.gz	RVBMYKRJQHYHOJ-UHFFFAOYSA-N	1	1	351.838	2.181	20	30		FEEDMO
Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)ncc1C#N	ZINC000457483697	560569745	/nfs/dbraw/zinc/56/97/45/560569745.db2.gz	GKBUMSMBNBDWDI-UHFFFAOYSA-N	1	1	350.422	2.389	20	30		FEEDMO
C=CC[C@H](C(=O)NCC1([NH+]2CCOCC2)CCOCC1)c1ccccc1	ZINC000457985342	560598040	/nfs/dbraw/zinc/59/80/40/560598040.db2.gz	TXJWRWBVKIICQJ-IBGZPJMESA-N	1	1	358.482	2.344	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1	ZINC000458790213	560648632	/nfs/dbraw/zinc/64/86/32/560648632.db2.gz	ZVEHWFTTZRPYTK-FHWLQOOXSA-N	1	1	361.486	2.075	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1	ZINC000458790213	560648633	/nfs/dbraw/zinc/64/86/33/560648633.db2.gz	ZVEHWFTTZRPYTK-FHWLQOOXSA-N	1	1	361.486	2.075	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1	ZINC000459307987	560678865	/nfs/dbraw/zinc/67/88/65/560678865.db2.gz	AVYUUNCJDLCBED-CALCHBBNSA-N	1	1	371.485	2.457	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1	ZINC000459855649	560713827	/nfs/dbraw/zinc/71/38/27/560713827.db2.gz	BFMLIOWWKXZWBS-OCCSQVGLSA-N	1	1	367.902	2.079	20	30		FEEDMO
N#C[C@@H]1CCC[C@H]1NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000461953958	560789503	/nfs/dbraw/zinc/78/95/03/560789503.db2.gz	CLBBNQIBTOUBMC-RBUKOAKNSA-N	1	1	371.485	2.008	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)c1C	ZINC000464799898	560851522	/nfs/dbraw/zinc/85/15/22/560851522.db2.gz	SUPRDHMGLUZOJO-OAQYLSRUSA-N	1	1	368.481	2.152	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)c1C	ZINC000464799898	560851523	/nfs/dbraw/zinc/85/15/23/560851523.db2.gz	SUPRDHMGLUZOJO-OAQYLSRUSA-N	1	1	368.481	2.152	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)c1cccc(Cl)c1	ZINC000466931742	560899612	/nfs/dbraw/zinc/89/96/12/560899612.db2.gz	ZFJYTKFTNBKANE-IBGZPJMESA-N	1	1	374.872	2.189	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1)c1cccc(Cl)c1	ZINC000466931742	560899613	/nfs/dbraw/zinc/89/96/13/560899613.db2.gz	ZFJYTKFTNBKANE-IBGZPJMESA-N	1	1	374.872	2.189	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000467022457	560901816	/nfs/dbraw/zinc/90/18/16/560901816.db2.gz	IOSAOSGOWRJFBK-WMLDXEAASA-N	1	1	357.454	2.325	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000468472059	560930805	/nfs/dbraw/zinc/93/08/05/560930805.db2.gz	ZQAABUUNAGMECK-AUUYWEPGSA-N	1	1	351.491	2.485	20	30		FEEDMO
C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000470611514	560985772	/nfs/dbraw/zinc/98/57/72/560985772.db2.gz	IWBQFIIPHOXDAL-UPJWGTAASA-N	1	1	371.453	2.481	20	30		FEEDMO
C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000470611513	560985779	/nfs/dbraw/zinc/98/57/79/560985779.db2.gz	IWBQFIIPHOXDAL-JHJVBQTASA-N	1	1	371.453	2.481	20	30		FEEDMO
C[C@H](CN1CCOCC1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471013658	560996350	/nfs/dbraw/zinc/99/63/50/560996350.db2.gz	GEUDFVCUQGFCHD-APWZRJJASA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@H](C[NH+]1CCOCC1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471013658	560996351	/nfs/dbraw/zinc/99/63/51/560996351.db2.gz	GEUDFVCUQGFCHD-APWZRJJASA-N	1	1	362.905	2.243	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCN(C)C[C@H]2C(C)C)c(OC)c1	ZINC000471211241	561000718	/nfs/dbraw/zinc/00/07/18/561000718.db2.gz	ILBPLRQUQQWPMM-MOPGFXCFSA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN2CC[N@H+](C)C[C@H]2C(C)C)c(OC)c1	ZINC000471211241	561000719	/nfs/dbraw/zinc/00/07/19/561000719.db2.gz	ILBPLRQUQQWPMM-MOPGFXCFSA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN2CC[N@@H+](C)C[C@H]2C(C)C)c(OC)c1	ZINC000471211241	561000720	/nfs/dbraw/zinc/00/07/20/561000720.db2.gz	ILBPLRQUQQWPMM-MOPGFXCFSA-N	1	1	362.514	2.435	20	30		FEEDMO
O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000473338360	561047799	/nfs/dbraw/zinc/04/77/99/561047799.db2.gz	XWPWQPBZMMRTAR-IBGZPJMESA-N	1	1	373.456	2.378	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)cc(C)c2C)CC1	ZINC000474094295	561065612	/nfs/dbraw/zinc/06/56/12/561065612.db2.gz	GLBATPOLNJDXDZ-UHFFFAOYSA-N	1	1	366.483	2.019	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1	ZINC000528386818	562326184	/nfs/dbraw/zinc/32/61/84/562326184.db2.gz	JSUZIJVAJGMGMI-GJZGRUSLSA-N	1	1	358.360	2.341	20	30		FEEDMO
COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)c1	ZINC000528428247	562328718	/nfs/dbraw/zinc/32/87/18/562328718.db2.gz	ZBYFVRCJQMDXIE-MRXNPFEDSA-N	1	1	364.449	2.410	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1	ZINC000528517840	562333716	/nfs/dbraw/zinc/33/37/16/562333716.db2.gz	PHYPUCWBCQZWMC-DYXWJJEUSA-N	1	1	370.424	2.098	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1	ZINC000528517840	562333717	/nfs/dbraw/zinc/33/37/17/562333717.db2.gz	PHYPUCWBCQZWMC-DYXWJJEUSA-N	1	1	370.424	2.098	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1C[C@H](O)C[C@H]1c1ccccc1	ZINC000528525158	562334047	/nfs/dbraw/zinc/33/40/47/562334047.db2.gz	MIGYJAWLYANDEA-XLIONFOSSA-N	1	1	360.413	2.094	20	30		FEEDMO
C[N@H+](CCO)Cc1cc(NC(=O)Cc2ccc(C#N)nc2)ccc1Cl	ZINC000529250591	562366249	/nfs/dbraw/zinc/36/62/49/562366249.db2.gz	LTDPYIOPSNANKL-UHFFFAOYSA-N	1	1	358.829	2.212	20	30		FEEDMO
C[N@@H+](CCO)Cc1cc(NC(=O)Cc2ccc(C#N)nc2)ccc1Cl	ZINC000529250591	562366250	/nfs/dbraw/zinc/36/62/50/562366250.db2.gz	LTDPYIOPSNANKL-UHFFFAOYSA-N	1	1	358.829	2.212	20	30		FEEDMO
CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN(O)C1=O	ZINC000529426145	562373598	/nfs/dbraw/zinc/37/35/98/562373598.db2.gz	GAXMQFRQDPOPJE-GUDVDZBRSA-N	1	1	373.497	2.277	20	30		FEEDMO
CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1	ZINC000534713131	562540912	/nfs/dbraw/zinc/54/09/12/562540912.db2.gz	AYTTXHNFQQWZSL-CQSZACIVSA-N	1	1	374.510	2.081	20	30		FEEDMO
CCC[C@@H]1CN(Cc2cccc(C(=O)OC)c2C#N)CC[N@H+]1CCOC	ZINC000535755897	562566849	/nfs/dbraw/zinc/56/68/49/562566849.db2.gz	VGFLUIXXEZPWTC-QGZVFWFLSA-N	1	1	359.470	2.278	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH2+][C@@H](CCO)c1ccccc1Br	ZINC000541025133	562600663	/nfs/dbraw/zinc/60/06/63/562600663.db2.gz	TYFBLLZBVKLVDM-HNNXBMFYSA-N	1	1	368.275	2.224	20	30		FEEDMO
N#CCC1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1	ZINC000541970037	562624670	/nfs/dbraw/zinc/62/46/70/562624670.db2.gz	MLFJYSMNKQSYHS-SFHVURJKSA-N	1	1	369.469	2.294	20	30		FEEDMO
N#CCC1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1	ZINC000541970037	562624671	/nfs/dbraw/zinc/62/46/71/562624671.db2.gz	MLFJYSMNKQSYHS-SFHVURJKSA-N	1	1	369.469	2.294	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1	ZINC000636699238	567837578	/nfs/dbraw/zinc/83/75/78/567837578.db2.gz	RNRLOMDLQHENPJ-GOSISDBHSA-N	1	1	371.481	2.001	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1	ZINC000602924408	568018191	/nfs/dbraw/zinc/01/81/91/568018191.db2.gz	HYFHNBVHBGDMLY-SWLSCSKDSA-N	1	1	357.376	2.337	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)C1CC1	ZINC000602925242	568018389	/nfs/dbraw/zinc/01/83/89/568018389.db2.gz	HZDRZBDRHUCHBC-HOCLYGCPSA-N	1	1	355.360	2.137	20	30		FEEDMO
Cc1[nH+]ccn1Cc1cn([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nn1	ZINC000603190964	568072036	/nfs/dbraw/zinc/07/20/36/568072036.db2.gz	IEZPWCXEZPKCPH-HVEKOLDVSA-N	1	1	369.473	2.323	20	30		FEEDMO
C#C[C@@H]([NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C(C)(C)C	ZINC000809782730	674509596	/nfs/dbraw/zinc/50/95/96/674509596.db2.gz	FTSWHBKPSFBGHO-GXTWGEPZSA-N	1	1	357.907	2.342	20	30		FEEDMO
C#CC[N@@H+](CC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@H](C)C2	ZINC000819702202	606075051	/nfs/dbraw/zinc/07/50/51/606075051.db2.gz	SWLNWRSWKCIYOX-LBPRGKRZSA-N	1	1	372.498	2.337	20	30		FEEDMO
N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1	ZINC000822825952	606890319	/nfs/dbraw/zinc/89/03/19/606890319.db2.gz	RDZHFESVDUSOHG-LJQANCHMSA-N	1	1	360.421	2.436	20	30		FEEDMO
C[C@H](C#N)C[N@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CC1	ZINC000824035462	607831427	/nfs/dbraw/zinc/83/14/27/607831427.db2.gz	YLJQRVBZKWVBIS-LLVKDONJSA-N	1	1	373.848	2.473	20	30		FEEDMO
C[C@H](C#N)C[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CC1	ZINC000824035462	607831428	/nfs/dbraw/zinc/83/14/28/607831428.db2.gz	YLJQRVBZKWVBIS-LLVKDONJSA-N	1	1	373.848	2.473	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1F	ZINC000815082356	674914131	/nfs/dbraw/zinc/91/41/31/674914131.db2.gz	MNAUMQCUIJJOMN-UHFFFAOYSA-N	1	1	352.353	2.078	20	30		FEEDMO
C#CC[N@@H+](C)CCCN[C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1	ZINC000815652401	674963872	/nfs/dbraw/zinc/96/38/72/674963872.db2.gz	ATHAXBWDGCSCGK-MRXNPFEDSA-N	1	1	371.934	2.244	20	30		FEEDMO
C#CC[N@H+](C)CCCN[C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1	ZINC000815652401	674963875	/nfs/dbraw/zinc/96/38/75/674963875.db2.gz	ATHAXBWDGCSCGK-MRXNPFEDSA-N	1	1	371.934	2.244	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)COC	ZINC001048526066	675008950	/nfs/dbraw/zinc/00/89/50/675008950.db2.gz	NMDPQJYFUGGGJA-UESMBRTFSA-N	1	1	350.503	2.362	20	30		FEEDMO
C#CCOc1ccccc1C[NH2+]Cc1ccccc1S(=O)(=O)N(C)C	ZINC000030658280	670112745	/nfs/dbraw/zinc/11/27/45/670112745.db2.gz	KRMUDJSMZACQJR-UHFFFAOYSA-N	1	1	358.463	2.239	20	30		FEEDMO
C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CCCS(=O)(=O)C1	ZINC000069141128	670481338	/nfs/dbraw/zinc/48/13/38/670481338.db2.gz	RUTNUSGPFACKQW-AWEZNQCLSA-N	1	1	372.284	2.128	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1	ZINC000570017883	670647805	/nfs/dbraw/zinc/64/78/05/670647805.db2.gz	ICKIZWXWKPFZCH-YPMHNXCESA-N	1	1	354.332	2.453	20	30		FEEDMO
O=C(NCC[NH2+]Cc1csc(-c2cccs2)n1)C1N=CC=CC1=O	ZINC000113360987	670883956	/nfs/dbraw/zinc/88/39/56/670883956.db2.gz	BMBWOOFLAGSYIZ-PFONDFGASA-N	1	1	360.464	2.488	20	30		FEEDMO
CC1CC[NH+]([C@@H](CNC[C@H](O)CN(C)CCC#N)c2cccs2)CC1	ZINC000565762837	675149552	/nfs/dbraw/zinc/14/95/52/675149552.db2.gz	ZCUQHXYKEDTNJO-ROUUACIJSA-N	1	1	364.559	2.317	20	30		FEEDMO
C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000117078056	670911656	/nfs/dbraw/zinc/91/16/56/670911656.db2.gz	ABTOHOSTPLAKMC-ZDUSSCGKSA-N	1	1	364.877	2.111	20	30		FEEDMO
Cc1nc(SCC(=O)N2CC[NH2+]C[C@@](C)(F)C2)c(C#N)c(C)c1C	ZINC000576644800	671383870	/nfs/dbraw/zinc/38/38/70/671383870.db2.gz	XBTVVPSKSXLNNQ-QGZVFWFLSA-N	1	1	350.463	2.131	20	30		FEEDMO
C=CCn1cc(C[NH2+]CCC(=O)Nc2cccc(Br)c2)nn1	ZINC000576864247	671400183	/nfs/dbraw/zinc/40/01/83/671400183.db2.gz	QPPQNXPXAWJNEX-UHFFFAOYSA-N	1	1	364.247	2.345	20	30		FEEDMO
C=CCn1cccc1C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000579305169	671725957	/nfs/dbraw/zinc/72/59/57/671725957.db2.gz	PTQVQQMLKQCCSU-QGZVFWFLSA-N	1	1	358.511	2.454	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1	ZINC000580508256	671813198	/nfs/dbraw/zinc/81/31/98/671813198.db2.gz	UEFQBLIDOQVTSY-HNNXBMFYSA-N	1	1	364.858	2.188	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](CCC)[C@@H]1C[C@@H](OCC)C12CCCC2	ZINC000610134193	675955964	/nfs/dbraw/zinc/95/59/64/675955964.db2.gz	USHBPRLRIBMNGG-HZPDHXFCSA-N	1	1	351.491	2.448	20	30		FEEDMO
CSC[C@@H]1CCC[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000130948071	672081583	/nfs/dbraw/zinc/08/15/83/672081583.db2.gz	PZLUWXBAEZELSH-INIZCTEOSA-N	1	1	358.467	2.107	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)c2cscc2C#N)c2cccs2)CC1	ZINC000583395568	672090692	/nfs/dbraw/zinc/09/06/92/672090692.db2.gz	BTEUUYFTTFDGBD-OAHLLOKOSA-N	1	1	360.508	2.400	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1)c1cccc(Cl)c1	ZINC000583990761	672145400	/nfs/dbraw/zinc/14/54/00/672145400.db2.gz	NIFZNVMUMPAZQV-ZDUSSCGKSA-N	1	1	358.833	2.194	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1)c1cccc(Cl)c1	ZINC000583990761	672145402	/nfs/dbraw/zinc/14/54/02/672145402.db2.gz	NIFZNVMUMPAZQV-ZDUSSCGKSA-N	1	1	358.833	2.194	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1	ZINC000155573777	672235300	/nfs/dbraw/zinc/23/53/00/672235300.db2.gz	RJWODRFSORMTNX-DYVFJYSZSA-N	1	1	357.845	2.246	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)c1ccc(Cl)cc1	ZINC000155573777	672235302	/nfs/dbraw/zinc/23/53/02/672235302.db2.gz	RJWODRFSORMTNX-DYVFJYSZSA-N	1	1	357.845	2.246	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1	ZINC000611106997	676018246	/nfs/dbraw/zinc/01/82/46/676018246.db2.gz	MOCDJMKVAZYYHA-LLVKDONJSA-N	1	1	359.373	2.092	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1	ZINC000611106997	676018248	/nfs/dbraw/zinc/01/82/48/676018248.db2.gz	MOCDJMKVAZYYHA-LLVKDONJSA-N	1	1	359.373	2.092	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000181556645	672427880	/nfs/dbraw/zinc/42/78/80/672427880.db2.gz	VEOOTSAEFWDJOY-HNNXBMFYSA-N	1	1	352.479	2.080	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c(C#N)c1C	ZINC000590749478	672609740	/nfs/dbraw/zinc/60/97/40/672609740.db2.gz	SVMQVAHZZMDKER-IIAWOOMASA-N	1	1	363.483	2.037	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c(C#N)c1C	ZINC000590749478	672609743	/nfs/dbraw/zinc/60/97/43/672609743.db2.gz	SVMQVAHZZMDKER-IIAWOOMASA-N	1	1	363.483	2.037	20	30		FEEDMO
COC(=O)[C@@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[N@H+](C)C1	ZINC000591225084	672659302	/nfs/dbraw/zinc/65/93/02/672659302.db2.gz	YUYLKDNCHXGTPI-NSHDSACASA-N	1	1	370.236	2.042	20	30		FEEDMO
COC(=O)[C@@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC[N@@H+](C)C1	ZINC000591225084	672659303	/nfs/dbraw/zinc/65/93/03/672659303.db2.gz	YUYLKDNCHXGTPI-NSHDSACASA-N	1	1	370.236	2.042	20	30		FEEDMO
Cc1ccc(CNS(=O)(=O)c2ccccc2C#N)c(N2CCCC2)[nH+]1	ZINC000611584416	676046164	/nfs/dbraw/zinc/04/61/64/676046164.db2.gz	GWRDMXAXCKBPQE-UHFFFAOYSA-N	1	1	356.451	2.340	20	30		FEEDMO
N#CC[C@]1(O)CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1	ZINC000591938707	672724154	/nfs/dbraw/zinc/72/41/54/672724154.db2.gz	KGLAIFFTKIHHNG-QAPCUYQASA-N	1	1	362.499	2.020	20	30		FEEDMO
N#CC[C@]1(O)CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1	ZINC000592146838	672764113	/nfs/dbraw/zinc/76/41/13/672764113.db2.gz	KVEKQMIPSDMWBV-HNNXBMFYSA-N	1	1	352.232	2.128	20	30		FEEDMO
N#Cc1cnn2c1NC[C@@H](C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C2	ZINC000592505078	672809500	/nfs/dbraw/zinc/80/95/00/672809500.db2.gz	RHUKDSLXUSQTBJ-INTQDDNPSA-N	1	1	367.297	2.469	20	30		FEEDMO
COCCC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000245506613	672820085	/nfs/dbraw/zinc/82/00/85/672820085.db2.gz	OEWFZHYXJOAMCO-WBVHZDCISA-N	1	1	366.483	2.003	20	30		FEEDMO
COCCC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000245506613	672820087	/nfs/dbraw/zinc/82/00/87/672820087.db2.gz	OEWFZHYXJOAMCO-WBVHZDCISA-N	1	1	366.483	2.003	20	30		FEEDMO
CC1(C)C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]2COC[C@H]2O1	ZINC000593116649	672878761	/nfs/dbraw/zinc/87/87/61/672878761.db2.gz	LVPGPRKBBPTHSY-HZPDHXFCSA-N	1	1	363.845	2.418	20	30		FEEDMO
CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H]2COC[C@H]2O1	ZINC000593116649	672878768	/nfs/dbraw/zinc/87/87/68/672878768.db2.gz	LVPGPRKBBPTHSY-HZPDHXFCSA-N	1	1	363.845	2.418	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3ccc(Br)cc3C#N)C2)C1	ZINC000593162502	672885252	/nfs/dbraw/zinc/88/52/52/672885252.db2.gz	KAJXJHWIEKHAKI-QGZVFWFLSA-N	1	1	362.271	2.417	20	30		FEEDMO
CCc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000261773538	672903204	/nfs/dbraw/zinc/90/32/04/672903204.db2.gz	SNTIZYORLPUPCN-IBGZPJMESA-N	1	1	355.463	2.456	20	30		FEEDMO
C[NH+]=C(NCC1(N2CCSCC2)CCCC1)N1CC[C@]2(CCOC2)C1	ZINC000262024254	672908007	/nfs/dbraw/zinc/90/80/07/672908007.db2.gz	ZIECVVUQDSNFEG-SFHVURJKSA-N	1	1	366.575	2.036	20	30		FEEDMO
N#Cc1sccc1S(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1	ZINC000593589237	672952124	/nfs/dbraw/zinc/95/21/24/672952124.db2.gz	OVYGTMCMNWOUAH-IYBDPMFKSA-N	1	1	373.503	2.372	20	30		FEEDMO
C[C@@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H](C)O1	ZINC000328660175	673064412	/nfs/dbraw/zinc/06/44/12/673064412.db2.gz	UXQRFJMVQAPTTC-YYIAUSFCSA-N	1	1	352.523	2.005	20	30		FEEDMO
CC[C@@H]1CO[C@H](C)CN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000328750137	673065873	/nfs/dbraw/zinc/06/58/73/673065873.db2.gz	BWNAOAQUARYOPP-IAGOWNOFSA-N	1	1	353.507	2.435	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)OCC(C)C)CC1	ZINC000725802181	673091852	/nfs/dbraw/zinc/09/18/52/673091852.db2.gz	MSNCDWXMOFORTE-QGZVFWFLSA-N	1	1	351.491	2.376	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)OCC(C)C)CC1	ZINC000725802181	673091855	/nfs/dbraw/zinc/09/18/55/673091855.db2.gz	MSNCDWXMOFORTE-QGZVFWFLSA-N	1	1	351.491	2.376	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1F	ZINC000594854542	673165083	/nfs/dbraw/zinc/16/50/83/673165083.db2.gz	PZSDQHYMGNHKEZ-AWEZNQCLSA-N	1	1	351.447	2.383	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)CC1(C#N)CCCCC1	ZINC000613076414	676110162	/nfs/dbraw/zinc/11/01/62/676110162.db2.gz	AXKVOOKPWDXUOD-INIZCTEOSA-N	1	1	350.488	2.460	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000595355866	673231671	/nfs/dbraw/zinc/23/16/71/673231671.db2.gz	SDHGOEABHHQRCU-CYBMUJFWSA-N	1	1	361.389	2.340	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@@H](O)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000595463980	673254119	/nfs/dbraw/zinc/25/41/19/673254119.db2.gz	FCWGSLYBXKOITO-MOPGFXCFSA-N	1	1	364.921	2.223	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+](CCOCCO)C2CCC2)cc1Cl	ZINC000595600859	673272248	/nfs/dbraw/zinc/27/22/48/673272248.db2.gz	QEJYLWNPZWGFEI-UHFFFAOYSA-N	1	1	351.834	2.014	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+](CCOCCO)C2CCC2)cc1Cl	ZINC000595600859	673272250	/nfs/dbraw/zinc/27/22/50/673272250.db2.gz	QEJYLWNPZWGFEI-UHFFFAOYSA-N	1	1	351.834	2.014	20	30		FEEDMO
COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+](CCC#N)CC(C)(C)C	ZINC000731848620	673344757	/nfs/dbraw/zinc/34/47/57/673344757.db2.gz	WXZHLKZMSLAIBM-RVDMUPIBSA-N	1	1	353.488	2.228	20	30		FEEDMO
N#Cc1cnnc(NCCC[NH+]2CCN(c3ccccc3Cl)CC2)c1	ZINC000596091539	673358067	/nfs/dbraw/zinc/35/80/67/673358067.db2.gz	MWXGKFQJKQPJNA-UHFFFAOYSA-N	1	1	356.861	2.626	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2ccn3cc(C(F)(F)F)nc3c2)CC1	ZINC000597165651	673452893	/nfs/dbraw/zinc/45/28/93/673452893.db2.gz	KXZQQEIRBBVIFZ-UHFFFAOYSA-N	1	1	351.332	2.071	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)CC[N@@H+]1CCOC	ZINC000597459390	673480107	/nfs/dbraw/zinc/48/01/07/673480107.db2.gz	ZIRCGJBMQKUYEK-CQSZACIVSA-N	1	1	351.397	2.409	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)c2cc(F)c(C#N)c(F)c2)CC[N@H+]1CCOC	ZINC000597459390	673480111	/nfs/dbraw/zinc/48/01/11/673480111.db2.gz	ZIRCGJBMQKUYEK-CQSZACIVSA-N	1	1	351.397	2.409	20	30		FEEDMO
C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C[C@@H](c1cccs1)N1CCOCC1	ZINC000598588411	673587025	/nfs/dbraw/zinc/58/70/25/673587025.db2.gz	LKXAPGGHIALHLB-HOTGVXAUSA-N	1	1	351.516	2.354	20	30		FEEDMO
C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@@H](O)CC(C)(C)C#N	ZINC000598588766	673587237	/nfs/dbraw/zinc/58/72/37/673587237.db2.gz	CILUHJRRTHMRGA-HNNXBMFYSA-N	1	1	368.499	2.092	20	30		FEEDMO
CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000598601064	673588118	/nfs/dbraw/zinc/58/81/18/673588118.db2.gz	DAWXZXPOACVYTB-IAGOWNOFSA-N	1	1	365.499	2.193	20	30		FEEDMO
COC(=O)c1cnc([C@@H]2CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C2)s1	ZINC000598628213	673592729	/nfs/dbraw/zinc/59/27/29/673592729.db2.gz	LSGVRCGRSAIOTP-CHWSQXEVSA-N	1	1	351.472	2.410	20	30		FEEDMO
C[NH+]1CCN(CC2CN(c3cc(Br)c(C#N)cc3F)C2)CC1	ZINC000599109617	673634049	/nfs/dbraw/zinc/63/40/49/673634049.db2.gz	VSAYXMUOJCMOCO-UHFFFAOYSA-N	1	1	367.266	2.143	20	30		FEEDMO
C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H](CO)c1ccc(Cl)cc1	ZINC000599431657	673675210	/nfs/dbraw/zinc/67/52/10/673675210.db2.gz	NBNXOGKCLDAIHO-DLBZAZTESA-N	1	1	352.862	2.377	20	30		FEEDMO
C[C@@H](C(=O)OC(C)(C)C)[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000599437203	673675632	/nfs/dbraw/zinc/67/56/32/673675632.db2.gz	PLDIFBZXHHSUCW-GOEBONIOSA-N	1	1	352.475	2.252	20	30		FEEDMO
C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000599437203	673675634	/nfs/dbraw/zinc/67/56/34/673675634.db2.gz	PLDIFBZXHHSUCW-GOEBONIOSA-N	1	1	352.475	2.252	20	30		FEEDMO
CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)[C@@H]1C	ZINC000599445471	673676350	/nfs/dbraw/zinc/67/63/50/673676350.db2.gz	SUBJTUNHJLXYGO-VVLHAWIVSA-N	1	1	352.475	2.110	20	30		FEEDMO
C=CC[C@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000599530132	673688630	/nfs/dbraw/zinc/68/86/30/673688630.db2.gz	UERLQVHDOPWLST-IRXDYDNUSA-N	1	1	358.511	2.355	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@@H](C)Oc2cccc(Br)c2)CC1	ZINC000742058864	673705362	/nfs/dbraw/zinc/70/53/62/673705362.db2.gz	AXJNTWCUVFMWLJ-CQSZACIVSA-N	1	1	365.271	2.384	20	30		FEEDMO
COC[C@@]1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1	ZINC000599697663	673707647	/nfs/dbraw/zinc/70/76/47/673707647.db2.gz	PEJFXIGAVADOQB-GOSISDBHSA-N	1	1	363.483	2.174	20	30		FEEDMO
COC[C@@]1(C)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1	ZINC000599697663	673707652	/nfs/dbraw/zinc/70/76/52/673707652.db2.gz	PEJFXIGAVADOQB-GOSISDBHSA-N	1	1	363.483	2.174	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1	ZINC000599939041	673729191	/nfs/dbraw/zinc/72/91/91/673729191.db2.gz	GBZMWRQCQBHSBH-CABCVRRESA-N	1	1	355.463	2.363	20	30		FEEDMO
N#CCc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000601376655	673851565	/nfs/dbraw/zinc/85/15/65/673851565.db2.gz	NMOQYQPZJIVRAJ-AEFFLSMTSA-N	1	1	359.495	2.390	20	30		FEEDMO
CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2cccc(C#N)n2)CC1	ZINC000602671605	673909475	/nfs/dbraw/zinc/90/94/75/673909475.db2.gz	VJJUPDRTJXYFHS-UHFFFAOYSA-N	1	1	355.467	2.423	20	30		FEEDMO
CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cccc(C#N)n2)CC1	ZINC000602671605	673909478	/nfs/dbraw/zinc/90/94/78/673909478.db2.gz	VJJUPDRTJXYFHS-UHFFFAOYSA-N	1	1	355.467	2.423	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc(C#N)cc2CS(N)(=O)=O)C1	ZINC000603283015	673921900	/nfs/dbraw/zinc/92/19/00/673921900.db2.gz	GQNXKKURXBFZRT-GASCZTMLSA-N	1	1	364.515	2.127	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CCOc1ccccc1Br	ZINC000818611889	675228537	/nfs/dbraw/zinc/22/85/37/675228537.db2.gz	HEDGIRVAXNFCSX-UHFFFAOYSA-N	1	1	353.260	2.289	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819342186	675283219	/nfs/dbraw/zinc/28/32/19/675283219.db2.gz	PCDNUTDCGTYPNG-GJZGRUSLSA-N	1	1	352.479	2.032	20	30		FEEDMO
CCS(=O)(=O)Nc1ccc(C(=O)/C=C/c2c[nH+]c(N(C)C)n2C)cc1	ZINC000821039291	675408648	/nfs/dbraw/zinc/40/86/48/675408648.db2.gz	QCLSMWOVQCPFKS-ZHACJKMWSA-N	1	1	362.455	2.144	20	30		FEEDMO
CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2c[nH+]c(N(C)C)n2C)cc1	ZINC000821039289	675408669	/nfs/dbraw/zinc/40/86/69/675408669.db2.gz	QCLSMWOVQCPFKS-KHPPLWFESA-N	1	1	362.455	2.144	20	30		FEEDMO
C[NH+]1CCN(C2CCN(C(=O)c3ccccc3SCC#N)CC2)CC1	ZINC000827468623	675758274	/nfs/dbraw/zinc/75/82/74/675758274.db2.gz	YDSPLWSXYKWYRG-UHFFFAOYSA-N	1	1	358.511	2.154	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619758740	676393720	/nfs/dbraw/zinc/39/37/20/676393720.db2.gz	DNHGMDZMWIVMPF-HNNXBMFYSA-N	1	1	350.850	2.122	20	30		FEEDMO
C=C(C)Cn1c(-c2cc(C)cs2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1	ZINC000624999529	676609313	/nfs/dbraw/zinc/60/93/13/676609313.db2.gz	JZZQCSNSJLTOSP-HNNXBMFYSA-N	1	1	359.499	2.412	20	30		FEEDMO
C=C(C)Cn1c(-c2cc(C)cs2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1	ZINC000624999529	676609315	/nfs/dbraw/zinc/60/93/15/676609315.db2.gz	JZZQCSNSJLTOSP-HNNXBMFYSA-N	1	1	359.499	2.412	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(CC)(N2CCOCC2)CC1	ZINC000626087605	676688492	/nfs/dbraw/zinc/68/84/92/676688492.db2.gz	UBZJPYYQMZXZPO-SFHVURJKSA-N	1	1	351.535	2.376	20	30		FEEDMO
C[C@@H]1CC(N=Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)C[N@H+]1C	ZINC000761813688	680732090	/nfs/dbraw/zinc/73/20/90/680732090.db2.gz	UJSDKUBPXFYPFZ-SNVBAGLBSA-N	1	1	350.348	2.471	20	30		FEEDMO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000660583430	678360721	/nfs/dbraw/zinc/36/07/21/678360721.db2.gz	BXVFZNDERSMBJR-ZACQAIPSSA-N	1	1	350.507	2.008	20	30		FEEDMO
C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000660583428	678360843	/nfs/dbraw/zinc/36/08/43/678360843.db2.gz	BXVFZNDERSMBJR-IKGGRYGDSA-N	1	1	350.507	2.008	20	30		FEEDMO
C=CCS(=O)(=O)CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1	ZINC000839723677	680774510	/nfs/dbraw/zinc/77/45/10/680774510.db2.gz	XAURMFNSILQPGE-UHFFFAOYSA-N	1	1	350.484	2.003	20	30		FEEDMO
C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C	ZINC000662081308	678574918	/nfs/dbraw/zinc/57/49/18/678574918.db2.gz	OKGDXYLADXVGSM-GASCZTMLSA-N	1	1	363.483	2.072	20	30		FEEDMO
COC(=O)[C@@H]1CSCC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1	ZINC000840184750	680805600	/nfs/dbraw/zinc/80/56/00/680805600.db2.gz	BKESKVJPLRDFBR-INIZCTEOSA-N	1	1	356.451	2.217	20	30		FEEDMO
COC(=O)[C@@H]1CSCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1	ZINC000840184750	680805601	/nfs/dbraw/zinc/80/56/01/680805601.db2.gz	BKESKVJPLRDFBR-INIZCTEOSA-N	1	1	356.451	2.217	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](CCOC2CCC2)CC1(C)C	ZINC000974586022	679960725	/nfs/dbraw/zinc/96/07/25/679960725.db2.gz	CHJWOUWWXRIIME-SQNIBIBYSA-N	1	1	350.503	2.363	20	30		FEEDMO
C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1	ZINC001017133565	680070208	/nfs/dbraw/zinc/07/02/08/680070208.db2.gz	SLZODWFTZGHNEV-DOXZYTNZSA-N	1	1	359.495	2.327	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C1	ZINC000975724089	680083978	/nfs/dbraw/zinc/08/39/78/680083978.db2.gz	SEKBABAMNKANIJ-JYJNAYRXSA-N	1	1	367.921	2.166	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nn(C)cc2Cl)C1	ZINC001020713922	680113304	/nfs/dbraw/zinc/11/33/04/680113304.db2.gz	IUBRAUAUIIUMPV-WSMBLCCSSA-N	1	1	366.893	2.182	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC000977803435	680164029	/nfs/dbraw/zinc/16/40/29/680164029.db2.gz	ANXTYBDYLGGNTB-VHDGCEQUSA-N	1	1	355.910	2.165	20	30		FEEDMO
C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@@H]2C1	ZINC000978501170	680177196	/nfs/dbraw/zinc/17/71/96/680177196.db2.gz	VOJQJDRHXRYVPW-OSLXHZNNSA-N	1	1	369.303	2.004	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3scnc3C)C[C@H]21	ZINC000978825758	680181340	/nfs/dbraw/zinc/18/13/40/680181340.db2.gz	FUVYSDOJGQRWPP-FDPKGLCPSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](CCC[C@@H]2CCOC2)CC1	ZINC000981189665	680219732	/nfs/dbraw/zinc/21/97/32/680219732.db2.gz	BEFIIQLKUXHYIF-QRVBRYPASA-N	1	1	350.503	2.319	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2Cc2ccc(C#N)s2)CC[N@H+]1C	ZINC001024447066	680290119	/nfs/dbraw/zinc/29/01/19/680290119.db2.gz	PVQSYNJPSLPWNQ-RVKKMQEKSA-N	1	1	360.527	2.431	20	30		FEEDMO
C=C(Br)CN1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001024447539	680290275	/nfs/dbraw/zinc/29/02/75/680290275.db2.gz	XAIQUXBWWBWORW-QLFBSQMISA-N	1	1	358.324	2.206	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)s2)C(C)(C)C1	ZINC000995810493	680303463	/nfs/dbraw/zinc/30/34/63/680303463.db2.gz	CVEQZFXHVMONJX-ILXRZTDVSA-N	1	1	364.515	2.154	20	30		FEEDMO
Cn1cc(-c2nc(CO[NH+]=C(N)c3ccc4c(c3)CCO4)cs2)cn1	ZINC000753822051	680317995	/nfs/dbraw/zinc/31/79/95/680317995.db2.gz	IGBXTCHZUKVXPT-UHFFFAOYSA-N	1	1	355.423	2.316	20	30		FEEDMO
O=C1Nc2ccc(C(F)(F)F)cc2C1=NNC1=[NH+][C@H]2CCCC[C@@H]2N1	ZINC000753935356	680325340	/nfs/dbraw/zinc/32/53/40/680325340.db2.gz	NPVJXWZSUZLWRR-RYUDHWBXSA-N	1	1	351.332	2.222	20	30		FEEDMO
O=C1Nc2c(cccc2C(F)(F)F)C1=NNC1=[NH+][C@@H]2CCCC[C@H]2N1	ZINC000753937191	680325446	/nfs/dbraw/zinc/32/54/46/680325446.db2.gz	WSWTUORHKKIODK-GHMZBOCLSA-N	1	1	351.332	2.222	20	30		FEEDMO
N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)s1	ZINC000983924010	680336205	/nfs/dbraw/zinc/33/62/05/680336205.db2.gz	PZEUHSJRHKDRTC-CZPYZCIJSA-N	1	1	355.467	2.131	20	30		FEEDMO
CC(C)[N@@H+]1CC(N=Nc2ncnc3c2c(Br)nn3C)[C@@H](C)C1	ZINC000754256653	680345758	/nfs/dbraw/zinc/34/57/58/680345758.db2.gz	CVTZTEKVQXZUOA-VIFPVBQESA-N	1	1	366.267	2.254	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=C)Br)C1	ZINC001028548707	680373181	/nfs/dbraw/zinc/37/31/81/680373181.db2.gz	FFQFGEAMUISNKY-ZNMIVQPWSA-N	1	1	357.292	2.314	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=C)Br)C1	ZINC001028548707	680373186	/nfs/dbraw/zinc/37/31/86/680373186.db2.gz	FFQFGEAMUISNKY-ZNMIVQPWSA-N	1	1	357.292	2.314	20	30		FEEDMO
O=C(NC[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1COC2	ZINC001028553595	680376318	/nfs/dbraw/zinc/37/63/18/680376318.db2.gz	JYNSWRCUZDNEHK-ZWOKBUDYSA-N	1	1	358.869	2.166	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C#N)s2)C1	ZINC001029847926	680394027	/nfs/dbraw/zinc/39/40/27/680394027.db2.gz	YKKYRUUNZVBOHT-OLMNPRSZSA-N	1	1	359.495	2.491	20	30		FEEDMO
C=C(Br)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1	ZINC000999207246	680398991	/nfs/dbraw/zinc/39/89/91/680398991.db2.gz	KQIOOLYIWPYVIW-SOUVJXGZSA-N	1	1	358.324	2.206	20	30		FEEDMO
C=C(Br)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC000999207246	680398997	/nfs/dbraw/zinc/39/89/97/680398997.db2.gz	KQIOOLYIWPYVIW-SOUVJXGZSA-N	1	1	358.324	2.206	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2csc(Cl)n2)C1	ZINC000999428462	680403275	/nfs/dbraw/zinc/40/32/75/680403275.db2.gz	RIVZYCCLFOEXTP-HOFDXXJLSA-N	1	1	355.891	2.467	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](c1ccccc1)N1CCSCC1	ZINC000755664977	680427511	/nfs/dbraw/zinc/42/75/11/680427511.db2.gz	ZLEZEZJVLHNWAI-OALUTQOASA-N	1	1	358.507	2.417	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCCN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC001034213921	680431138	/nfs/dbraw/zinc/43/11/38/680431138.db2.gz	DSXRTZWXZSXPBN-RVKKMQEKSA-N	1	1	360.527	2.431	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC[N@H+]([C@@H](C)COC)C2)CC1	ZINC001035185942	680443437	/nfs/dbraw/zinc/44/34/37/680443437.db2.gz	MQPSEPAKYREDGX-KSZLIROESA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CCCC2)CCO1	ZINC001035369816	680444582	/nfs/dbraw/zinc/44/45/82/680444582.db2.gz	ARPWVVGXBWNHKI-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001039205766	680462711	/nfs/dbraw/zinc/46/27/11/680462711.db2.gz	ZLTNFKHNCINZFV-WDSOQIARSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H](C)c2nnc(C)s2)CC1	ZINC000985667226	680468253	/nfs/dbraw/zinc/46/82/53/680468253.db2.gz	OROUFXFJUQXUHE-MAZHCROVSA-N	1	1	364.515	2.421	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H](C)c2nnc(C)s2)CC1	ZINC000985667226	680468254	/nfs/dbraw/zinc/46/82/54/680468254.db2.gz	OROUFXFJUQXUHE-MAZHCROVSA-N	1	1	364.515	2.421	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](Cc2snnc2C)CC1	ZINC001001930612	680482672	/nfs/dbraw/zinc/48/26/72/680482672.db2.gz	HVEZOOYXTLLWBK-RDJZCZTQSA-N	1	1	364.515	2.156	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cc1csc(NC(=O)C(C)(C)C)n1	ZINC000756542084	680483887	/nfs/dbraw/zinc/48/38/87/680483887.db2.gz	KJZUOGDGCUIXRU-CQSZACIVSA-N	1	1	363.483	2.311	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3cnc(C)s3)C2)C1	ZINC001041695894	680508857	/nfs/dbraw/zinc/50/88/57/680508857.db2.gz	GYGRPJWQXGJZMM-AOIWGVFYSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1	ZINC001004458081	680556821	/nfs/dbraw/zinc/55/68/21/680556821.db2.gz	OAJLIBBPIBFVHN-UHOSZYNNSA-N	1	1	350.503	2.460	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1	ZINC000758302740	680568744	/nfs/dbraw/zinc/56/87/44/680568744.db2.gz	PLXYNEJERKXXRY-JKSUJKDBSA-N	1	1	355.479	2.053	20	30		FEEDMO
Cc1nsc(N[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]2C)c1C#N	ZINC001043593276	680590437	/nfs/dbraw/zinc/59/04/37/680590437.db2.gz	QADXQHKSBXHCHN-IVMMDQJWSA-N	1	1	361.515	2.456	20	30		FEEDMO
C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2nc(Cl)c(C#N)s2)C1	ZINC001045498393	680632115	/nfs/dbraw/zinc/63/21/15/680632115.db2.gz	XRJJROAMMSCGRY-IJLUTSLNSA-N	1	1	367.906	2.459	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(NS(=O)(=O)CCC)cc1	ZINC000759327314	680642317	/nfs/dbraw/zinc/64/23/17/680642317.db2.gz	ZKFGXTPPQCMSTL-KRWDZBQOSA-N	1	1	364.467	2.093	20	30		FEEDMO
C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1	ZINC001046974063	680655045	/nfs/dbraw/zinc/65/50/45/680655045.db2.gz	DCKAJWQLTUBPES-RRFJBIMHSA-N	1	1	352.429	2.173	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1	ZINC000767312674	680907226	/nfs/dbraw/zinc/90/72/26/680907226.db2.gz	NMLXRWQKADRITH-UHFFFAOYSA-N	1	1	356.857	2.487	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cc(Br)c(OC)s2)CC1	ZINC000769021048	680968187	/nfs/dbraw/zinc/96/81/87/680968187.db2.gz	LYAAQTBGCFWNIX-UHFFFAOYSA-N	1	1	371.300	2.481	20	30		FEEDMO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@@H](C)[NH+](C)C)nc1C	ZINC000874446407	685390871	/nfs/dbraw/zinc/39/08/71/685390871.db2.gz	JEYJRTVNZMHFLR-SECBINFHSA-N	1	1	352.489	2.073	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1c2ccc(Br)cc2nn1C	ZINC000843896947	681024379	/nfs/dbraw/zinc/02/43/79/681024379.db2.gz	OOCAUNBMVPMUOI-UHFFFAOYSA-N	1	1	363.259	2.021	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21	ZINC001050143301	681042175	/nfs/dbraw/zinc/04/21/75/681042175.db2.gz	BTINKKRPKJWWOF-HPBDAGMYSA-N	1	1	361.511	2.465	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21	ZINC001050143301	681042176	/nfs/dbraw/zinc/04/21/76/681042176.db2.gz	BTINKKRPKJWWOF-HPBDAGMYSA-N	1	1	361.511	2.465	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1cccc(Cl)c1)C[C@@H](O)c1cccc(C#N)c1	ZINC000844365476	681054159	/nfs/dbraw/zinc/05/41/59/681054159.db2.gz	BWLFVFXEVOVFIE-GOSISDBHSA-N	1	1	357.841	2.493	20	30		FEEDMO
C[N@H+](CC(=O)NCc1cccc(Cl)c1)C[C@@H](O)c1cccc(C#N)c1	ZINC000844365476	681054161	/nfs/dbraw/zinc/05/41/61/681054161.db2.gz	BWLFVFXEVOVFIE-GOSISDBHSA-N	1	1	357.841	2.493	20	30		FEEDMO
CCc1ccc(CNC(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)s1	ZINC000844367986	681054617	/nfs/dbraw/zinc/05/46/17/681054617.db2.gz	CFNXNLPGMBXHJP-SFHVURJKSA-N	1	1	357.479	2.464	20	30		FEEDMO
CCc1ccc(CNC(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)s1	ZINC000844367986	681054619	/nfs/dbraw/zinc/05/46/19/681054619.db2.gz	CFNXNLPGMBXHJP-SFHVURJKSA-N	1	1	357.479	2.464	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C	ZINC000844402639	681056708	/nfs/dbraw/zinc/05/67/08/681056708.db2.gz	RPVQUPPEEWQMPU-CVEARBPZSA-N	1	1	351.491	2.141	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CCC1CCCCC1	ZINC001051115344	681062800	/nfs/dbraw/zinc/06/28/00/681062800.db2.gz	VPVCKOTZLHBISA-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CCC1CCCCC1	ZINC001051115344	681062803	/nfs/dbraw/zinc/06/28/03/681062803.db2.gz	VPVCKOTZLHBISA-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1CCC1CCCC1	ZINC001051154781	681064269	/nfs/dbraw/zinc/06/42/69/681064269.db2.gz	IZPJKHCUVMZESP-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1CCC1CCCC1	ZINC001051154781	681064272	/nfs/dbraw/zinc/06/42/72/681064272.db2.gz	IZPJKHCUVMZESP-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2snc(C)c2C#N)[C@@H]1C	ZINC001051158897	681064858	/nfs/dbraw/zinc/06/48/58/681064858.db2.gz	VLVCIOPYGVYJPB-VNQPRFMTSA-N	1	1	361.515	2.281	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCOC2(C[NH+](C[C@H](C)CC)C2)C1	ZINC001053464166	681098561	/nfs/dbraw/zinc/09/85/61/681098561.db2.gz	CVTKUXOHOKOOBD-SQNIBIBYSA-N	1	1	350.503	2.317	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNc1snc(Cl)c1C#N	ZINC001053667198	681103320	/nfs/dbraw/zinc/10/33/20/681103320.db2.gz	YCGPSKARIOGMMT-WZRBSPASSA-N	1	1	367.906	2.269	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2	ZINC001054166999	681106229	/nfs/dbraw/zinc/10/62/29/681106229.db2.gz	OOPXZUXPMNEBRD-ORVJBUBXSA-N	1	1	350.890	2.477	20	30		FEEDMO
Cc1nsc(NC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)c1C#N	ZINC001054404295	681107258	/nfs/dbraw/zinc/10/72/58/681107258.db2.gz	WWCCLTFCEPDHDO-BXUZGUMPSA-N	1	1	358.471	2.035	20	30		FEEDMO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C3)c1C#N	ZINC001055198776	681126172	/nfs/dbraw/zinc/12/61/72/681126172.db2.gz	AIPAFZGFKJRPSI-OYNZBZHQSA-N	1	1	359.499	2.033	20	30		FEEDMO
C=CCN1C(=S)N=NC1c1sc(NC(=O)CC(F)(F)C[NH3+])nc1C	ZINC000846668227	681274063	/nfs/dbraw/zinc/27/40/63/681274063.db2.gz	ICPCDZLFPYSJQP-UHFFFAOYSA-N	1	1	374.442	2.107	20	30		FEEDMO
C#C[C@H]([NH2+][C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[C@H]1CCCO1	ZINC000775797808	681336192	/nfs/dbraw/zinc/33/61/92/681336192.db2.gz	DTOMEDSYNVWHMA-HRDYMLBCSA-N	1	1	362.298	2.480	20	30		FEEDMO
C[N@H+]1CC[C@H](CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000847372342	681369743	/nfs/dbraw/zinc/36/97/43/681369743.db2.gz	IXKWWUVSWZHGEZ-HUUCEWRRSA-N	1	1	352.479	2.032	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933712634	681455974	/nfs/dbraw/zinc/45/59/74/681455974.db2.gz	UABWWZLKNOWBHF-RYUDHWBXSA-N	1	1	355.364	2.045	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933712634	681455978	/nfs/dbraw/zinc/45/59/78/681455978.db2.gz	UABWWZLKNOWBHF-RYUDHWBXSA-N	1	1	355.364	2.045	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933717588	681457138	/nfs/dbraw/zinc/45/71/38/681457138.db2.gz	DJLINYHCSKNTAV-CYBMUJFWSA-N	1	1	354.376	2.485	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933717588	681457142	/nfs/dbraw/zinc/45/71/42/681457142.db2.gz	DJLINYHCSKNTAV-CYBMUJFWSA-N	1	1	354.376	2.485	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C	ZINC000777312580	681481313	/nfs/dbraw/zinc/48/13/13/681481313.db2.gz	YUANKYUFQZPXDL-HOTGVXAUSA-N	1	1	350.459	2.417	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC000949365326	681635152	/nfs/dbraw/zinc/63/51/52/681635152.db2.gz	LDXAAAGYXSICGY-SLBVQIDZSA-N	1	1	369.937	2.459	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[NH+]1CCC(C(=O)NCCOC)CC1	ZINC000779148207	681684829	/nfs/dbraw/zinc/68/48/29/681684829.db2.gz	YYIPTIRUBISWTC-UHFFFAOYSA-N	1	1	364.873	2.327	20	30		FEEDMO
C=C(Br)CNC(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000914418352	685507385	/nfs/dbraw/zinc/50/73/85/685507385.db2.gz	IHEANKDVRJAGMW-HGTKMLMNSA-N	1	1	374.323	2.064	20	30		FEEDMO
C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C(C)(C)C1	ZINC000940838482	682083557	/nfs/dbraw/zinc/08/35/57/682083557.db2.gz	HIAKJYVPALEQTD-MJBXVCDLSA-N	1	1	364.408	2.126	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C(C)(C)C1	ZINC000940912658	682087289	/nfs/dbraw/zinc/08/72/89/682087289.db2.gz	RCWVIWXCZPTIBE-CAOSSQGBSA-N	1	1	356.894	2.007	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C(C)(C)C1	ZINC000940912658	682087292	/nfs/dbraw/zinc/08/72/92/682087292.db2.gz	RCWVIWXCZPTIBE-CAOSSQGBSA-N	1	1	356.894	2.007	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccnc(Cl)c3)C[C@H]21	ZINC000962018477	682106837	/nfs/dbraw/zinc/10/68/37/682106837.db2.gz	QFVMBPZTNFJYLK-DTJSUFBGSA-N	1	1	361.873	2.263	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccnc(Cl)c3)C[C@H]21	ZINC000962018477	682106840	/nfs/dbraw/zinc/10/68/40/682106840.db2.gz	QFVMBPZTNFJYLK-DTJSUFBGSA-N	1	1	361.873	2.263	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC2CCOCC2)C1	ZINC000971558786	682359200	/nfs/dbraw/zinc/35/92/00/682359200.db2.gz	IKSJKYRPLNUKIU-OTWHNJEPSA-N	1	1	350.503	2.317	20	30		FEEDMO
C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2CC#N)C1	ZINC000794588029	682982046	/nfs/dbraw/zinc/98/20/46/682982046.db2.gz	URHWDEYVGIMVQB-KRWDZBQOSA-N	1	1	355.463	2.434	20	30		FEEDMO
C=C(C)C[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(CO)o1	ZINC000796384484	683158152	/nfs/dbraw/zinc/15/81/52/683158152.db2.gz	VZIXNOYSMFSMHS-UHFFFAOYSA-N	1	1	364.467	2.040	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000798956991	683407971	/nfs/dbraw/zinc/40/79/71/683407971.db2.gz	TXCXHWYLFOSWIP-BEFAXECRSA-N	1	1	351.491	2.352	20	30		FEEDMO
C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)C1(S(C)(=O)=O)CC1	ZINC000922123645	683665213	/nfs/dbraw/zinc/66/52/13/683665213.db2.gz	WIVHLGKHOHQKEN-JTQLQIEISA-N	1	1	357.273	2.376	20	30		FEEDMO
C[C@H]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)CS1(=O)=O	ZINC000922246225	683687242	/nfs/dbraw/zinc/68/72/42/683687242.db2.gz	KAKZCTWOVROCLY-GWCFXTLKSA-N	1	1	357.273	2.376	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1	ZINC000930189294	683690475	/nfs/dbraw/zinc/69/04/75/683690475.db2.gz	JBUCATNBUSBTCH-INIZCTEOSA-N	1	1	362.495	2.088	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O	ZINC000930549921	683750185	/nfs/dbraw/zinc/75/01/85/683750185.db2.gz	WFBWMXKVRDBENT-KMXJZHQMSA-N	1	1	365.499	2.354	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(Br)nc2C)C1	ZINC000930689985	683771818	/nfs/dbraw/zinc/77/18/18/683771818.db2.gz	VSVHDBVQMDSKCS-LBPRGKRZSA-N	1	1	351.248	2.372	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(Br)nc2C)C1	ZINC000930689985	683771819	/nfs/dbraw/zinc/77/18/19/683771819.db2.gz	VSVHDBVQMDSKCS-LBPRGKRZSA-N	1	1	351.248	2.372	20	30		FEEDMO
CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CC#N)C2)[C@H]1C(C)C	ZINC000922838372	683790902	/nfs/dbraw/zinc/79/09/02/683790902.db2.gz	XYJPGZITCJUQSN-NNFUDEMPSA-N	1	1	350.507	2.095	20	30		FEEDMO
C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@@](C)(O)C(F)(F)C(F)(F)F	ZINC000930844888	683792029	/nfs/dbraw/zinc/79/20/29/683792029.db2.gz	HNJXYXPEHBRNGE-CHWSQXEVSA-N	1	1	352.303	2.472	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@H](CC(=C)Cl)NC(=O)OC(C)(C)C)CC1	ZINC000865086405	683933782	/nfs/dbraw/zinc/93/37/82/683933782.db2.gz	ZXKRCFLSVXTRSH-HNNXBMFYSA-N	1	1	369.893	2.190	20	30		FEEDMO
C[C@@H](C#N)OCC[N@H+]1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000931969151	684377636	/nfs/dbraw/zinc/37/76/36/684377636.db2.gz	YPZANXQLKFYQKP-QJPTWQEYSA-N	1	1	351.369	2.302	20	30		FEEDMO
C[C@@H](C#N)OCC[N@@H+]1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000931969151	684377642	/nfs/dbraw/zinc/37/76/42/684377642.db2.gz	YPZANXQLKFYQKP-QJPTWQEYSA-N	1	1	351.369	2.302	20	30		FEEDMO
C[C@]1([C@@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)COC(=O)N1	ZINC000932026541	684393453	/nfs/dbraw/zinc/39/34/53/684393453.db2.gz	SPROSAQYVIFGGD-CXAGYDPISA-N	1	1	362.455	2.159	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC=CCC1	ZINC000867921618	684426734	/nfs/dbraw/zinc/42/67/34/684426734.db2.gz	NPKGBHQGAKGRGN-CQSZACIVSA-N	1	1	357.882	2.400	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21	ZINC000868521133	684505452	/nfs/dbraw/zinc/50/54/52/684505452.db2.gz	QEOLRYKUYKZTLB-MELADBBJSA-N	1	1	357.882	2.185	20	30		FEEDMO
C#CC[N@@H+](C)CCCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C1=O	ZINC000925314926	684549473	/nfs/dbraw/zinc/54/94/73/684549473.db2.gz	WGFQGORSJOFYGG-CQSZACIVSA-N	1	1	353.344	2.253	20	30		FEEDMO
N#CCOc1ccc(C[N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)cc1	ZINC000878873379	686680420	/nfs/dbraw/zinc/68/04/20/686680420.db2.gz	UDZLREPLARVRAG-GOSISDBHSA-N	1	1	361.511	2.229	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)cc1Cl	ZINC000879488128	686834192	/nfs/dbraw/zinc/83/41/92/686834192.db2.gz	JYDXHCZGHFMNFP-QGZVFWFLSA-N	1	1	360.845	2.126	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)cc1Cl	ZINC000879488128	686834195	/nfs/dbraw/zinc/83/41/95/686834195.db2.gz	JYDXHCZGHFMNFP-QGZVFWFLSA-N	1	1	360.845	2.126	20	30		FEEDMO
N#Cc1nc(NC(=O)NCC[N@@H+]2CC=CCC2)ccc1Br	ZINC000883106314	687566998	/nfs/dbraw/zinc/56/69/98/687566998.db2.gz	OPEFVQPLNWSFBL-UHFFFAOYSA-N	1	1	350.220	2.099	20	30		FEEDMO
CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883111148	687567730	/nfs/dbraw/zinc/56/77/30/687567730.db2.gz	VFRCINAAMSCWIC-JTQLQIEISA-N	1	1	352.236	2.274	20	30		FEEDMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883111148	687567734	/nfs/dbraw/zinc/56/77/34/687567734.db2.gz	VFRCINAAMSCWIC-JTQLQIEISA-N	1	1	352.236	2.274	20	30		FEEDMO
CC#CC[C@@H](CO)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2	ZINC000883156786	687578331	/nfs/dbraw/zinc/57/83/31/687578331.db2.gz	YZWLDKTWKMMANA-ZDUSSCGKSA-N	1	1	365.499	2.300	20	30		FEEDMO
COCC[N@H+]1[C@H](C)CN(C(=O)Nc2nc(Cl)c(C#N)s2)C[C@@H]1C	ZINC000888424039	688609910	/nfs/dbraw/zinc/60/99/10/688609910.db2.gz	IZXFIUMWYRDYKC-AOOOYVTPSA-N	1	1	357.867	2.241	20	30		FEEDMO
COCC[N@@H+]1[C@H](C)CN(C(=O)Nc2nc(Cl)c(C#N)s2)C[C@@H]1C	ZINC000888424039	688609912	/nfs/dbraw/zinc/60/99/12/688609912.db2.gz	IZXFIUMWYRDYKC-AOOOYVTPSA-N	1	1	357.867	2.241	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@H+](Cc2cc(C#N)cs2)C1	ZINC000896981975	689958315	/nfs/dbraw/zinc/95/83/15/689958315.db2.gz	NPPIMSNTRFODPK-QGZVFWFLSA-N	1	1	351.472	2.471	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@]1(CO)CCC[N@@H+](Cc2cc(C#N)cs2)C1	ZINC000896981975	689958317	/nfs/dbraw/zinc/95/83/17/689958317.db2.gz	NPPIMSNTRFODPK-QGZVFWFLSA-N	1	1	351.472	2.471	20	30		FEEDMO
Cn1cc(NC(=S)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000899451664	690355455	/nfs/dbraw/zinc/35/54/55/690355455.db2.gz	LRKFYDAJXMTDDU-UHFFFAOYSA-N	1	1	354.483	2.196	20	30		FEEDMO
Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2cc(C#N)ccn2)c(C)s1	ZINC000902881964	690816364	/nfs/dbraw/zinc/81/63/64/690816364.db2.gz	NNHDHKMGYFMVCM-LBPRGKRZSA-N	1	1	364.496	2.261	20	30		FEEDMO
C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000903032050	690835484	/nfs/dbraw/zinc/83/54/84/690835484.db2.gz	OXYDIGUSHPTUOW-HNNXBMFYSA-N	1	1	363.483	2.052	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)c3ccsc3C#N)cc2)CC1	ZINC000906174726	691238864	/nfs/dbraw/zinc/23/88/64/691238864.db2.gz	BBLXKDYOTXUBSL-UHFFFAOYSA-N	1	1	354.479	2.297	20	30		FEEDMO
CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC000906988996	691362840	/nfs/dbraw/zinc/36/28/40/691362840.db2.gz	RSPRUDFWKFVRKV-LBPRGKRZSA-N	1	1	372.288	2.035	20	30		FEEDMO
CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC000906988996	691362842	/nfs/dbraw/zinc/36/28/42/691362842.db2.gz	RSPRUDFWKFVRKV-LBPRGKRZSA-N	1	1	372.288	2.035	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)ncc1C#N)C2	ZINC001164813177	720089241	/nfs/dbraw/zinc/08/92/41/720089241.db2.gz	SWHULXSFEHZKEK-MAUKXSAKSA-N	1	1	361.877	2.186	20	30		FEEDMO
N#Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2ccccc12	ZINC001164746443	720760394	/nfs/dbraw/zinc/76/03/94/720760394.db2.gz	YECNTQCOEOQBAD-IRXDYDNUSA-N	1	1	372.432	2.238	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(C)c(C#N)cc3Cl)CC[C@H]2C1	ZINC001164852925	720889713	/nfs/dbraw/zinc/88/97/13/720889713.db2.gz	AJPXSSOZMAHSMO-YOEHRIQHSA-N	1	1	364.877	2.089	20	30		FEEDMO
Cc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1CC#N	ZINC001164880932	721156948	/nfs/dbraw/zinc/15/69/48/721156948.db2.gz	XWMRUFATBLHSFS-UXHICEINSA-N	1	1	363.465	2.331	20	30		FEEDMO
C=CCOc1cc(C)nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1	ZINC001164781174	721411095	/nfs/dbraw/zinc/41/10/95/721411095.db2.gz	CKLGVJHBUYOYGT-GASCZTMLSA-N	1	1	357.483	2.375	20	30		FEEDMO
C=CCOc1cc(C)nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1	ZINC001164781174	721411098	/nfs/dbraw/zinc/41/10/98/721411098.db2.gz	CKLGVJHBUYOYGT-GASCZTMLSA-N	1	1	357.483	2.375	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CCOc2ccccc2)CC1	ZINC000070790707	721955161	/nfs/dbraw/zinc/95/51/61/721955161.db2.gz	MFFXJUAVUGWOAG-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
N#Cc1cccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2	ZINC001164961942	722052488	/nfs/dbraw/zinc/05/24/88/722052488.db2.gz	ZMGNIPYNVMSQMJ-UHFFFAOYSA-N	1	1	363.465	2.467	20	30		FEEDMO
N#CCc1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1	ZINC001164978008	722131728	/nfs/dbraw/zinc/13/17/28/722131728.db2.gz	JDCCMRNTNVGVQO-WOJBJXKFSA-N	1	1	363.465	2.270	20	30		FEEDMO
N#Cc1cc2c(nc1NCc1cccc(C[NH+]3CCOCC3)c1)CCOC2	ZINC000515367179	816226141	/nfs/dbraw/zinc/22/61/41/816226141.db2.gz	YFJRXIVFUIIBKN-UHFFFAOYSA-N	1	1	364.449	2.470	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)cc1	ZINC000109389943	210183962	/nfs/dbraw/zinc/18/39/62/210183962.db2.gz	PXXBECGTWMIACX-GOSISDBHSA-N	1	1	354.454	2.364	20	30		FEEDMO
CC[N@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1	ZINC000024672590	539738059	/nfs/dbraw/zinc/73/80/59/539738059.db2.gz	YIZJVJMIZGBJDG-UHFFFAOYSA-N	1	1	358.417	2.358	20	30		FEEDMO
CC[N@@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1	ZINC000024672590	539738063	/nfs/dbraw/zinc/73/80/63/539738063.db2.gz	YIZJVJMIZGBJDG-UHFFFAOYSA-N	1	1	358.417	2.358	20	30		FEEDMO
CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000042123114	540052219	/nfs/dbraw/zinc/05/22/19/540052219.db2.gz	GSRUYHUKFFCASM-LJQANCHMSA-N	1	1	353.422	2.388	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1	ZINC000076272838	542253274	/nfs/dbraw/zinc/25/32/74/542253274.db2.gz	GBJOMFSWZYXFHG-MRXNPFEDSA-N	1	1	357.454	2.326	20	30		FEEDMO
C[N@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1	ZINC000046528691	540261029	/nfs/dbraw/zinc/26/10/29/540261029.db2.gz	IOPRQJMYGKTUNF-UHFFFAOYSA-N	1	1	368.412	2.038	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC(N)=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1	ZINC000046528691	540261031	/nfs/dbraw/zinc/26/10/31/540261031.db2.gz	IOPRQJMYGKTUNF-UHFFFAOYSA-N	1	1	368.412	2.038	20	30		FEEDMO
C[N@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)Cc1ccc(C#N)cc1	ZINC000046529485	540261040	/nfs/dbraw/zinc/26/10/40/540261040.db2.gz	YEZVPNUUPBPYEY-UHFFFAOYSA-N	1	1	359.433	2.492	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)Cc1ccc(C#N)cc1	ZINC000046529485	540261044	/nfs/dbraw/zinc/26/10/44/540261044.db2.gz	YEZVPNUUPBPYEY-UHFFFAOYSA-N	1	1	359.433	2.492	20	30		FEEDMO
C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046528539	540261129	/nfs/dbraw/zinc/26/11/29/540261129.db2.gz	PUSKOFQNPSRNHS-HNNXBMFYSA-N	1	1	350.422	2.405	20	30		FEEDMO
C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000046528539	540261131	/nfs/dbraw/zinc/26/11/31/540261131.db2.gz	PUSKOFQNPSRNHS-HNNXBMFYSA-N	1	1	350.422	2.405	20	30		FEEDMO
N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1	ZINC000047104392	540290007	/nfs/dbraw/zinc/29/00/07/540290007.db2.gz	KIRXYDGUPVNUDH-UYAOXDASSA-N	1	1	367.497	2.407	20	30		FEEDMO
Cc1cc(=NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)[nH]n1CCC#N	ZINC000534326039	540354251	/nfs/dbraw/zinc/35/42/51/540354251.db2.gz	BOFJGHCOTYKIJS-KRWDZBQOSA-N	1	1	352.442	2.351	20	30		FEEDMO
Cc1cc(=NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)[nH]n1CCC#N	ZINC000534326039	540354253	/nfs/dbraw/zinc/35/42/53/540354253.db2.gz	BOFJGHCOTYKIJS-KRWDZBQOSA-N	1	1	352.442	2.351	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cc(Br)cs1	ZINC000048575448	540366798	/nfs/dbraw/zinc/36/67/98/540366798.db2.gz	ZRXQQWSYMCLEMH-SECBINFHSA-N	1	1	360.277	2.343	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Br)cs1	ZINC000048575448	540366801	/nfs/dbraw/zinc/36/68/01/540366801.db2.gz	ZRXQQWSYMCLEMH-SECBINFHSA-N	1	1	360.277	2.343	20	30		FEEDMO
CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000051056711	540420770	/nfs/dbraw/zinc/42/07/70/540420770.db2.gz	INLXUMQGJDUEEJ-IAGOWNOFSA-N	1	1	362.518	2.346	20	30		FEEDMO
CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000051056711	540420772	/nfs/dbraw/zinc/42/07/72/540420772.db2.gz	INLXUMQGJDUEEJ-IAGOWNOFSA-N	1	1	362.518	2.346	20	30		FEEDMO
CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000051043047	540420312	/nfs/dbraw/zinc/42/03/12/540420312.db2.gz	JAAKQHCLAMIWNG-AWEZNQCLSA-N	1	1	362.861	2.388	20	30		FEEDMO
CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000051043047	540420313	/nfs/dbraw/zinc/42/03/13/540420313.db2.gz	JAAKQHCLAMIWNG-AWEZNQCLSA-N	1	1	362.861	2.388	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1	ZINC000051050223	540420370	/nfs/dbraw/zinc/42/03/70/540420370.db2.gz	VUKZZRAMCUBYQF-YESZJQIVSA-N	1	1	350.507	2.011	20	30		FEEDMO
CCCCN(C)C(=O)C1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000052186430	540457520	/nfs/dbraw/zinc/45/75/20/540457520.db2.gz	CPTIYAWWOJZNLL-UZLBHIALSA-N	1	1	364.534	2.400	20	30		FEEDMO
CCOCCCNC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000052800179	540490186	/nfs/dbraw/zinc/49/01/86/540490186.db2.gz	OXRTVGRYRDHDTO-KRWDZBQOSA-N	1	1	358.486	2.002	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1	ZINC000054205752	540574975	/nfs/dbraw/zinc/57/49/75/540574975.db2.gz	JMGVCGLHYTWRKS-WBVHZDCISA-N	1	1	371.485	2.049	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)CCCCC1	ZINC000054181170	540573415	/nfs/dbraw/zinc/57/34/15/540573415.db2.gz	DKWAONSXWTZGCZ-MRXNPFEDSA-N	1	1	369.469	2.075	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)CCCCC1	ZINC000054181170	540573417	/nfs/dbraw/zinc/57/34/17/540573417.db2.gz	DKWAONSXWTZGCZ-MRXNPFEDSA-N	1	1	369.469	2.075	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1	ZINC000055121137	540629785	/nfs/dbraw/zinc/62/97/85/540629785.db2.gz	VYLZMQFKDIZKNH-HXUWFJFHSA-N	1	1	360.477	2.388	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CNc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000057552781	540802559	/nfs/dbraw/zinc/80/25/59/540802559.db2.gz	DKRYVLHARNDZJE-FCEWJHQRSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CNc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000057552781	540802562	/nfs/dbraw/zinc/80/25/62/540802562.db2.gz	DKRYVLHARNDZJE-FCEWJHQRSA-N	1	1	356.470	2.070	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1	ZINC000057800494	540816039	/nfs/dbraw/zinc/81/60/39/540816039.db2.gz	ACQWAOMZEQACCT-HNAYVOBHSA-N	1	1	354.458	2.315	20	30		FEEDMO
CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000060379748	541108670	/nfs/dbraw/zinc/10/86/70/541108670.db2.gz	CMNQCADXGKFWNX-CQSZACIVSA-N	1	1	369.874	2.049	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000060379748	541108673	/nfs/dbraw/zinc/10/86/73/541108673.db2.gz	CMNQCADXGKFWNX-CQSZACIVSA-N	1	1	369.874	2.049	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH+]1CCC(NC(=O)NC2CCCCC2)CC1	ZINC000065597925	541247763	/nfs/dbraw/zinc/24/77/63/541247763.db2.gz	KNYYRAYCHYWIOQ-UHFFFAOYSA-N	1	1	362.518	2.283	20	30		FEEDMO
COCC[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC(C)C	ZINC000065950298	541274120	/nfs/dbraw/zinc/27/41/20/541274120.db2.gz	NFNVOPBXZJVSCJ-UHFFFAOYSA-N	1	1	355.442	2.287	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000067438558	541464250	/nfs/dbraw/zinc/46/42/50/541464250.db2.gz	RGLPCEHHHJFJPW-OWCLPIDISA-N	1	1	372.469	2.010	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)N(CC)CC	ZINC000067653559	541496330	/nfs/dbraw/zinc/49/63/30/541496330.db2.gz	AKRQNCZNIRMPEI-OALUTQOASA-N	1	1	360.498	2.488	20	30		FEEDMO
N#Cc1ccc(C[N@H+](CCCS(N)(=O)=O)Cc2cccc(F)c2)cc1	ZINC000068458569	541594573	/nfs/dbraw/zinc/59/45/73/541594573.db2.gz	REMBMACFPSVMKO-UHFFFAOYSA-N	1	1	361.442	2.378	20	30		FEEDMO
CN1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)Cc2ccccc21	ZINC000069168062	541665810	/nfs/dbraw/zinc/66/58/10/541665810.db2.gz	VJOCDSYSFJCDGS-IBGZPJMESA-N	1	1	351.450	2.444	20	30		FEEDMO
Cc1n[nH]c(=O)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C	ZINC000069537683	541695780	/nfs/dbraw/zinc/69/57/80/541695780.db2.gz	FOGMIDMBAPMARY-UHFFFAOYSA-N	1	1	365.437	2.019	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)c2cccc(CN3CCN(C)CC3)c2)CC1	ZINC000073436950	541954075	/nfs/dbraw/zinc/95/40/75/541954075.db2.gz	GOENDROMMSIIGX-UHFFFAOYSA-N	1	1	370.541	2.204	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C	ZINC000073988576	542022913	/nfs/dbraw/zinc/02/29/13/542022913.db2.gz	UTKCFNYSDHQMHV-DLBZAZTESA-N	1	1	357.454	2.421	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@H](O)COCc1ccccc1	ZINC000074289688	542065033	/nfs/dbraw/zinc/06/50/33/542065033.db2.gz	LQRNOFYXZSOBCE-HKUYNNGSSA-N	1	1	373.497	2.227	20	30		FEEDMO
N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2CS(N)(=O)=O)cc1	ZINC000074315952	542068919	/nfs/dbraw/zinc/06/89/19/542068919.db2.gz	CYVBELMNEYQTNM-SFHVURJKSA-N	1	1	355.463	2.478	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000074656375	542107341	/nfs/dbraw/zinc/10/73/41/542107341.db2.gz	HLJHQPGQSOTQBC-SFHVURJKSA-N	1	1	374.529	2.276	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1	ZINC000076397473	542274031	/nfs/dbraw/zinc/27/40/31/542274031.db2.gz	PEUOLBHFTCXAGH-MRXNPFEDSA-N	1	1	360.421	2.419	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1	ZINC000076397473	542274037	/nfs/dbraw/zinc/27/40/37/542274037.db2.gz	PEUOLBHFTCXAGH-MRXNPFEDSA-N	1	1	360.421	2.419	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2nnc3ccccn32)C1	ZINC000076397756	542274378	/nfs/dbraw/zinc/27/43/78/542274378.db2.gz	FNMGIMPKNIUMIU-IRXDYDNUSA-N	1	1	353.470	2.498	20	30		FEEDMO
CO[C@H](C)c1nc(CN2CCC[N@@H+](CCO[C@@H](C)C#N)CC2)cs1	ZINC000801926687	674155436	/nfs/dbraw/zinc/15/54/36/674155436.db2.gz	UYRJSOWSEOWBEX-LSDHHAIUSA-N	1	1	352.504	2.287	20	30		FEEDMO
C[C@@H](C#N)CN(C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000079351773	542513377	/nfs/dbraw/zinc/51/33/77/542513377.db2.gz	CRWKTQIVEKXFFZ-PKOBYXMFSA-N	1	1	357.502	2.166	20	30		FEEDMO
C[C@@H](C#N)CN(C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000079351773	542513383	/nfs/dbraw/zinc/51/33/83/542513383.db2.gz	CRWKTQIVEKXFFZ-PKOBYXMFSA-N	1	1	357.502	2.166	20	30		FEEDMO
C[C@@H](C#N)CN(C)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000079351773	542513371	/nfs/dbraw/zinc/51/33/71/542513371.db2.gz	CRWKTQIVEKXFFZ-PKOBYXMFSA-N	1	1	357.502	2.166	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)NC2CCN(CC#N)CC2)CC[N@H+]1Cc1ccccc1	ZINC000080122542	542567266	/nfs/dbraw/zinc/56/72/66/542567266.db2.gz	NPSUCKMPMSUIGM-XLIONFOSSA-N	1	1	369.513	2.327	20	30		FEEDMO
N#CCN1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000081688300	542672706	/nfs/dbraw/zinc/67/27/06/542672706.db2.gz	LFOSHOFIBQVDJK-IBGZPJMESA-N	1	1	358.461	2.284	20	30		FEEDMO
N#CCN1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1	ZINC000081688300	542672710	/nfs/dbraw/zinc/67/27/10/542672710.db2.gz	LFOSHOFIBQVDJK-IBGZPJMESA-N	1	1	358.461	2.284	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OC[C@@H]2CCCO2)CC1	ZINC000083408311	542697720	/nfs/dbraw/zinc/69/77/20/542697720.db2.gz	LJMAGTNKCOWHMZ-WMZOPIPTSA-N	1	1	363.502	2.378	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@H](O)c2nccn2C)CC1	ZINC000089925581	542773348	/nfs/dbraw/zinc/77/33/48/542773348.db2.gz	YYSWKIFHYHZXCI-KSSFIOAISA-N	1	1	367.453	2.064	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1	ZINC000092407396	542861818	/nfs/dbraw/zinc/86/18/18/542861818.db2.gz	NQAOEVURIJXPKS-UHFFFAOYSA-N	1	1	371.485	2.380	20	30		FEEDMO
CCS[C@@H]1CCCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000092618633	542875384	/nfs/dbraw/zinc/87/53/84/542875384.db2.gz	PMKXNWHHCRMHKF-MSOLQXFVSA-N	1	1	366.575	2.286	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](Cc2cccs2)C2CC2)CC1	ZINC000092616980	542875709	/nfs/dbraw/zinc/87/57/09/542875709.db2.gz	KHUCVBOHRSVWPG-GOSISDBHSA-N	1	1	360.527	2.405	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](Cc2cccs2)C2CC2)CC1	ZINC000092616980	542875711	/nfs/dbraw/zinc/87/57/11/542875711.db2.gz	KHUCVBOHRSVWPG-GOSISDBHSA-N	1	1	360.527	2.405	20	30		FEEDMO
C=CCOc1ccccc1C[NH+]1CCN(c2ccnc(N(C)C)n2)CC1	ZINC000093562766	542934032	/nfs/dbraw/zinc/93/40/32/542934032.db2.gz	AVYYRYDGSAWIMB-UHFFFAOYSA-N	1	1	353.470	2.430	20	30		FEEDMO
C=CCOc1ccccc1CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1	ZINC000093562766	542934034	/nfs/dbraw/zinc/93/40/34/542934034.db2.gz	AVYYRYDGSAWIMB-UHFFFAOYSA-N	1	1	353.470	2.430	20	30		FEEDMO
Cn1nc2c(cc1=O)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC2	ZINC000093756069	542939247	/nfs/dbraw/zinc/93/92/47/542939247.db2.gz	YIJJUYXSNZYYCI-UHFFFAOYSA-N	1	1	374.448	2.116	20	30		FEEDMO
Cn1nc2c(cc1=O)C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC2	ZINC000093756069	542939248	/nfs/dbraw/zinc/93/92/48/542939248.db2.gz	YIJJUYXSNZYYCI-UHFFFAOYSA-N	1	1	374.448	2.116	20	30		FEEDMO
CC[N@@H+](CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C1CC1	ZINC000102065289	543058665	/nfs/dbraw/zinc/05/86/65/543058665.db2.gz	VZNMDJNKPIFBGU-UHFFFAOYSA-N	1	1	359.449	2.013	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1	ZINC000102401362	543068177	/nfs/dbraw/zinc/06/81/77/543068177.db2.gz	ANIWYNMMKMZOFY-ZFWWWQNUSA-N	1	1	356.401	2.193	20	30		FEEDMO
CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000103156525	543095967	/nfs/dbraw/zinc/09/59/67/543095967.db2.gz	XJDLIIVKJNJIJB-UHFFFAOYSA-N	1	1	353.463	2.440	20	30		FEEDMO
COc1ccc(C[NH2+]C[C@@H](C)N2CCN(C)CC2)cc1OCCCC#N	ZINC000105465671	543174513	/nfs/dbraw/zinc/17/45/13/543174513.db2.gz	OTUVXVRETFWXQD-QGZVFWFLSA-N	1	1	360.502	2.103	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000106384021	543227030	/nfs/dbraw/zinc/22/70/30/543227030.db2.gz	FZQISFJRUWOQCD-JTDSTZFVSA-N	1	1	363.458	2.053	20	30		FEEDMO
C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1	ZINC000106384021	543227026	/nfs/dbraw/zinc/22/70/26/543227026.db2.gz	FZQISFJRUWOQCD-JTDSTZFVSA-N	1	1	363.458	2.053	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000106384021	543227028	/nfs/dbraw/zinc/22/70/28/543227028.db2.gz	FZQISFJRUWOQCD-JTDSTZFVSA-N	1	1	363.458	2.053	20	30		FEEDMO
CC(C)[C@H](C)NC(=O)C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000109868381	543342437	/nfs/dbraw/zinc/34/24/37/543342437.db2.gz	ZPQTWYHXIWCUBQ-HNNXBMFYSA-N	1	1	356.470	2.369	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1	ZINC000111267100	543390402	/nfs/dbraw/zinc/39/04/02/543390402.db2.gz	ZPABYRHWGLBJFG-KRWDZBQOSA-N	1	1	356.470	2.008	20	30		FEEDMO
C[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)CN1CC[NH+](C)CC1	ZINC000111661166	543410498	/nfs/dbraw/zinc/41/04/98/543410498.db2.gz	PARKQAOTZGATPS-GOSISDBHSA-N	1	1	372.513	2.107	20	30		FEEDMO
C=CCN(CC1CCCCC1)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000112216216	543434495	/nfs/dbraw/zinc/43/44/95/543434495.db2.gz	ZXQYNNAUHKGAKX-UHFFFAOYSA-N	1	1	364.534	2.317	20	30		FEEDMO
COC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000112987782	543470898	/nfs/dbraw/zinc/47/08/98/543470898.db2.gz	JZCQDGBIOPSJBL-OAHLLOKOSA-N	1	1	353.426	2.041	20	30		FEEDMO
COC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000112987782	543470900	/nfs/dbraw/zinc/47/09/00/543470900.db2.gz	JZCQDGBIOPSJBL-OAHLLOKOSA-N	1	1	353.426	2.041	20	30		FEEDMO
CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000114187352	543506690	/nfs/dbraw/zinc/50/66/90/543506690.db2.gz	HFWMOGDSEMIHDR-MSOLQXFVSA-N	1	1	367.453	2.308	20	30		FEEDMO
CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000114187352	543506695	/nfs/dbraw/zinc/50/66/95/543506695.db2.gz	HFWMOGDSEMIHDR-MSOLQXFVSA-N	1	1	367.453	2.308	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(Oc2ccc(F)cc2)CC1	ZINC000115557150	543573638	/nfs/dbraw/zinc/57/36/38/543573638.db2.gz	OAUASFKPUDIPBZ-UHFFFAOYSA-N	1	1	358.417	2.325	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@H](C)C1	ZINC000115702185	543582018	/nfs/dbraw/zinc/58/20/18/543582018.db2.gz	PJDHTXYVLAUOQL-VQIMIIECSA-N	1	1	358.486	2.494	20	30		FEEDMO
C=CC[C@H](C)NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000116943467	543619999	/nfs/dbraw/zinc/61/99/99/543619999.db2.gz	PRRCOHCLNBEWFB-INIZCTEOSA-N	1	1	374.485	2.111	20	30		FEEDMO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000121343305	543693073	/nfs/dbraw/zinc/69/30/73/543693073.db2.gz	PTBXVEWDTYHQDS-INIZCTEOSA-N	1	1	374.510	2.429	20	30		FEEDMO
CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000121343305	543693077	/nfs/dbraw/zinc/69/30/77/543693077.db2.gz	PTBXVEWDTYHQDS-INIZCTEOSA-N	1	1	374.510	2.429	20	30		FEEDMO
C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000121408716	543694297	/nfs/dbraw/zinc/69/42/97/543694297.db2.gz	PZORGOZGDIXGDU-HNNXBMFYSA-N	1	1	365.499	2.306	20	30		FEEDMO
C=CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000121408716	543694298	/nfs/dbraw/zinc/69/42/98/543694298.db2.gz	PZORGOZGDIXGDU-HNNXBMFYSA-N	1	1	365.499	2.306	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC[C@H]21	ZINC000120317667	543678074	/nfs/dbraw/zinc/67/80/74/543678074.db2.gz	IVMOQYVBXKEIQU-CRAIPNDOSA-N	1	1	368.481	2.369	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)CC(C)(C)CN1CCOCC1	ZINC000123707839	543778422	/nfs/dbraw/zinc/77/84/22/543778422.db2.gz	IZNICPKTUUAHAJ-UHFFFAOYSA-N	1	1	364.515	2.239	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1F	ZINC000123268629	543752307	/nfs/dbraw/zinc/75/23/07/543752307.db2.gz	BBUCPOUCBAAONV-UHFFFAOYSA-N	1	1	351.447	2.336	20	30		FEEDMO
Cc1cccc(NCCNS(=O)(=O)c2ccc(Cl)cc2C#N)[nH+]1	ZINC000124304700	543812631	/nfs/dbraw/zinc/81/26/31/543812631.db2.gz	GRYGZSIBKPTHRV-UHFFFAOYSA-N	1	1	350.831	2.306	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000126483680	543938696	/nfs/dbraw/zinc/93/86/96/543938696.db2.gz	VVXFSCGJVWDGRQ-UHFFFAOYSA-N	1	1	368.485	2.066	20	30		FEEDMO
CN(CCN(C)C1CC[NH+](C)CC1)Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000126483680	543938698	/nfs/dbraw/zinc/93/86/98/543938698.db2.gz	VVXFSCGJVWDGRQ-UHFFFAOYSA-N	1	1	368.485	2.066	20	30		FEEDMO
O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000126552593	543942715	/nfs/dbraw/zinc/94/27/15/543942715.db2.gz	NDUINDVUACONTL-FUHWJXTLSA-N	1	1	352.434	2.242	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1	ZINC000127289314	543983562	/nfs/dbraw/zinc/98/35/62/543983562.db2.gz	VCVGIJZTEGKTMH-MLGOLLRUSA-N	1	1	362.861	2.339	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+](CCC)[C@@H]1CCS(=O)(=O)C1	ZINC000128083608	544031635	/nfs/dbraw/zinc/03/16/35/544031635.db2.gz	BRXUSFARZKOJRV-MSOLQXFVSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+](CCC)[C@@H]1CCS(=O)(=O)C1	ZINC000128083608	544031637	/nfs/dbraw/zinc/03/16/37/544031637.db2.gz	BRXUSFARZKOJRV-MSOLQXFVSA-N	1	1	367.511	2.054	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1C1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000128709464	544067951	/nfs/dbraw/zinc/06/79/51/544067951.db2.gz	DTHGVYPOOWYGTQ-MRXNPFEDSA-N	1	1	361.511	2.281	20	30		FEEDMO
CC(C)[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000129732349	544125284	/nfs/dbraw/zinc/12/52/84/544125284.db2.gz	LYBNVKYCMHOGEE-IBGZPJMESA-N	1	1	372.513	2.104	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1	ZINC000131494834	544192539	/nfs/dbraw/zinc/19/25/39/544192539.db2.gz	SUEGGSIJRJQWGK-SFHVURJKSA-N	1	1	361.511	2.145	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCCNC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1	ZINC000132283955	544225863	/nfs/dbraw/zinc/22/58/63/544225863.db2.gz	AHJUHEDMWRIADF-BETUJISGSA-N	1	1	351.397	2.456	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCOC3(CCOCC3)C2)cc1Cl	ZINC000135610292	544355931	/nfs/dbraw/zinc/35/59/31/544355931.db2.gz	GTYOVQAICMSYNW-UHFFFAOYSA-N	1	1	363.845	2.422	20	30		FEEDMO
COc1cc2c(cc1OC)CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2	ZINC000138714863	544397636	/nfs/dbraw/zinc/39/76/36/544397636.db2.gz	DGKZXGNIYJXRFV-FQEVSTJZSA-N	1	1	359.470	2.159	20	30		FEEDMO
N#Cc1ccc([C@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)C(N)=O)cc1	ZINC000151052601	544499798	/nfs/dbraw/zinc/49/97/98/544499798.db2.gz	MYAGZKOLGYOYPZ-HNNXBMFYSA-N	1	1	364.327	2.167	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1C#N	ZINC000150712458	544464077	/nfs/dbraw/zinc/46/40/77/544464077.db2.gz	UZOGYDRPZGTDCN-ZDUSSCGKSA-N	1	1	374.510	2.251	20	30		FEEDMO
CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCC[N@@H+](C)C1	ZINC000151133193	544508482	/nfs/dbraw/zinc/50/84/82/544508482.db2.gz	GULNTBRHRJGPQL-GOSISDBHSA-N	1	1	356.470	2.266	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000152857745	544703963	/nfs/dbraw/zinc/70/39/63/544703963.db2.gz	ZESOLDWJIXJDBT-WBMJQRKESA-N	1	1	353.875	2.316	20	30		FEEDMO
C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccc(F)cc1	ZINC000153283258	544756253	/nfs/dbraw/zinc/75/62/53/544756253.db2.gz	ALNWEWLUHWRWEY-OLZOCXBDSA-N	1	1	372.448	2.133	20	30		FEEDMO
C[C@H](CNC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000153291340	544756918	/nfs/dbraw/zinc/75/69/18/544756918.db2.gz	DZEYCEJDUYQDAD-CABCVRRESA-N	1	1	368.485	2.036	20	30		FEEDMO
N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)COCc2ccco2)CC1	ZINC000153807990	544826313	/nfs/dbraw/zinc/82/63/13/544826313.db2.gz	NFUNIGGXVDTPJB-ICSRJNTNSA-N	1	1	355.438	2.040	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCOc2ccccc2C#N)CC1	ZINC000153910673	544838852	/nfs/dbraw/zinc/83/88/52/544838852.db2.gz	NGAJAVGYUJJINV-KDURUIRLSA-N	1	1	356.514	2.427	20	30		FEEDMO
CNC(=O)CCC[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000155274264	545007311	/nfs/dbraw/zinc/00/73/11/545007311.db2.gz	SBBBIAGLGSZFGX-UHFFFAOYSA-N	1	1	364.877	2.353	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)c(Br)c1	ZINC000180981678	327711055	/nfs/dbraw/zinc/71/10/55/327711055.db2.gz	DXKANDOFRVDHGY-UHFFFAOYSA-N	1	1	363.259	2.310	20	30		FEEDMO
C[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[N@@H+]1CCO	ZINC000188766427	328109532	/nfs/dbraw/zinc/10/95/32/328109532.db2.gz	YAOQXZFFLRKWJS-INIZCTEOSA-N	1	1	365.433	2.489	20	30		FEEDMO
C[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[N@H+]1CCO	ZINC000188766427	328109533	/nfs/dbraw/zinc/10/95/33/328109533.db2.gz	YAOQXZFFLRKWJS-INIZCTEOSA-N	1	1	365.433	2.489	20	30		FEEDMO
CC(C)[NH+]1CCN(CCCN2CCN(c3cccc(F)c3C#N)CC2)CC1	ZINC000191380710	328262940	/nfs/dbraw/zinc/26/29/40/328262940.db2.gz	HQMBWACYGPXVSS-UHFFFAOYSA-N	1	1	373.520	2.235	20	30		FEEDMO
Cc1nc(C(=O)N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)ccc1C#N	ZINC000191912296	328288417	/nfs/dbraw/zinc/28/84/17/328288417.db2.gz	RPCQFDZZFMVXDY-UHFFFAOYSA-N	1	1	372.469	2.140	20	30		FEEDMO
Cc1nc(C(=O)N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)ccc1C#N	ZINC000191912296	328288418	/nfs/dbraw/zinc/28/84/18/328288418.db2.gz	RPCQFDZZFMVXDY-UHFFFAOYSA-N	1	1	372.469	2.140	20	30		FEEDMO
COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccnc(C#N)c3)CC2)cc1	ZINC000192510089	328322784	/nfs/dbraw/zinc/32/27/84/328322784.db2.gz	ZRAJRODXHOLLKX-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCN(C(=O)c3ccnc(C#N)c3)CC2)cc1	ZINC000192510089	328322787	/nfs/dbraw/zinc/32/27/87/328322787.db2.gz	ZRAJRODXHOLLKX-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(C#N)c1	ZINC000015368656	324382607	/nfs/dbraw/zinc/38/26/07/324382607.db2.gz	AOPJVJKZQFUHTN-UHFFFAOYSA-N	1	1	362.477	2.334	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)Nc3nccs3)CC2)cc1	ZINC000022136710	324397889	/nfs/dbraw/zinc/39/78/89/324397889.db2.gz	MYFXLDXWCSULNS-UHFFFAOYSA-N	1	1	355.467	2.161	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000081364653	325172295	/nfs/dbraw/zinc/17/22/95/325172295.db2.gz	STQDMVRAALKHIB-ZDUSSCGKSA-N	1	1	362.861	2.340	20	30		FEEDMO
CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000081527147	325181531	/nfs/dbraw/zinc/18/15/31/325181531.db2.gz	XGWSOIAIXPMVDX-LBPRGKRZSA-N	1	1	362.499	2.141	20	30		FEEDMO
CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000081527147	325181532	/nfs/dbraw/zinc/18/15/32/325181532.db2.gz	XGWSOIAIXPMVDX-LBPRGKRZSA-N	1	1	362.499	2.141	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([NH+]3CCC(OC[C@H]4CCCO4)CC3)C2=O)cc1	ZINC000083413319	325218766	/nfs/dbraw/zinc/21/87/66/325218766.db2.gz	ANSUYGSMOZMCKD-UXHICEINSA-N	1	1	369.465	2.324	20	30		FEEDMO
COCCOc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1	ZINC000091936859	325398711	/nfs/dbraw/zinc/39/87/11/325398711.db2.gz	CQTSFJXFLXYDCU-INIZCTEOSA-N	1	1	367.453	2.084	20	30		FEEDMO
COCCOc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1	ZINC000091936859	325398712	/nfs/dbraw/zinc/39/87/12/325398712.db2.gz	CQTSFJXFLXYDCU-INIZCTEOSA-N	1	1	367.453	2.084	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C)C(C)C	ZINC000118119879	326083311	/nfs/dbraw/zinc/08/33/11/326083311.db2.gz	DKYWVVBYPNWDSD-UHFFFAOYSA-N	1	1	360.458	2.130	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c(C#N)c1C	ZINC000119245219	326141262	/nfs/dbraw/zinc/14/12/62/326141262.db2.gz	BHXNGOPQQFAZQA-AWEZNQCLSA-N	1	1	358.471	2.179	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c(C#N)c1C	ZINC000119245219	326141264	/nfs/dbraw/zinc/14/12/64/326141264.db2.gz	BHXNGOPQQFAZQA-AWEZNQCLSA-N	1	1	358.471	2.179	20	30		FEEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000119977817	326217998	/nfs/dbraw/zinc/21/79/98/326217998.db2.gz	GMVNFAHJTIBWTO-OAHLLOKOSA-N	1	1	362.861	2.483	20	30		FEEDMO
Cc1oc(NC(=O)C[N@H+](CCC(N)=O)Cc2ccccc2)c(C#N)c1C	ZINC000120525450	326265868	/nfs/dbraw/zinc/26/58/68/326265868.db2.gz	PKSXOXDLEIBTRR-UHFFFAOYSA-N	1	1	354.410	2.084	20	30		FEEDMO
Cc1oc(NC(=O)C[N@@H+](CCC(N)=O)Cc2ccccc2)c(C#N)c1C	ZINC000120525450	326265870	/nfs/dbraw/zinc/26/58/70/326265870.db2.gz	PKSXOXDLEIBTRR-UHFFFAOYSA-N	1	1	354.410	2.084	20	30		FEEDMO
C[N@@H+](CCCO)C1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC1	ZINC000120750051	326284868	/nfs/dbraw/zinc/28/48/68/326284868.db2.gz	OQXZKGMDSREJOA-UHFFFAOYSA-N	1	1	354.454	2.492	20	30		FEEDMO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)CCO)c1C#N	ZINC000121454362	326339583	/nfs/dbraw/zinc/33/95/83/326339583.db2.gz	ALKATCUVIUKZJH-UHFFFAOYSA-N	1	1	358.417	2.027	20	30		FEEDMO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)CCO)c1C#N	ZINC000121454362	326339585	/nfs/dbraw/zinc/33/95/85/326339585.db2.gz	ALKATCUVIUKZJH-UHFFFAOYSA-N	1	1	358.417	2.027	20	30		FEEDMO
CCC[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)CC[N@H+]1CCOC	ZINC000121637010	326354017	/nfs/dbraw/zinc/35/40/17/326354017.db2.gz	AGZCYDMZUJYUIE-WMZOPIPTSA-N	1	1	358.486	2.318	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1	ZINC000162367758	327023904	/nfs/dbraw/zinc/02/39/04/327023904.db2.gz	UWSWFQFMVLZNTM-KXBFYZLASA-N	1	1	355.463	2.357	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cn1	ZINC000170821230	327100563	/nfs/dbraw/zinc/10/05/63/327100563.db2.gz	QHDJREHZCMPSIU-OAHLLOKOSA-N	1	1	362.480	2.130	20	30		FEEDMO
CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2	ZINC000173792775	327284369	/nfs/dbraw/zinc/28/43/69/327284369.db2.gz	WMWAWXPOYTVSRZ-SJORKVTESA-N	1	1	368.437	2.360	20	30		FEEDMO
CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000262328110	328859336	/nfs/dbraw/zinc/85/93/36/328859336.db2.gz	RGVSSFLCSRCCSY-LBPRGKRZSA-N	1	1	361.389	2.340	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000265293471	329111432	/nfs/dbraw/zinc/11/14/32/329111432.db2.gz	QJKXXGJCCUDWOT-QFBILLFUSA-N	1	1	359.470	2.190	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)o1	ZINC000276415346	330149790	/nfs/dbraw/zinc/14/97/90/330149790.db2.gz	JBHRHMMEJDIWDQ-CZUORRHYSA-N	1	1	359.474	2.012	20	30		FEEDMO
C#CCNc1nc(NC[C@H]2CCSC2)nc(NC[C@H]2CCSC2)[nH+]1	ZINC000804677108	674296730	/nfs/dbraw/zinc/29/67/30/674296730.db2.gz	JEXYTPTUWOEYKS-CHWSQXEVSA-N	1	1	364.544	2.247	20	30		FEEDMO
C#CCNc1nc(N[C@@H]2CSC[C@@H]2C)[nH+]c(N[C@@H]2CSC[C@@H]2C)n1	ZINC000804811500	674301947	/nfs/dbraw/zinc/30/19/47/674301947.db2.gz	WFYJCTQPYKLHEN-WUHRBBMRSA-N	1	1	364.544	2.244	20	30		FEEDMO
C#CCNc1nc(N[C@@H]2CSC[C@@H]2C)nc(N[C@@H]2CSC[C@@H]2C)[nH+]1	ZINC000804811500	674301950	/nfs/dbraw/zinc/30/19/50/674301950.db2.gz	WFYJCTQPYKLHEN-WUHRBBMRSA-N	1	1	364.544	2.244	20	30		FEEDMO
C#C[C@@H](NC(=O)NCCC[N@H+](C)CCOC)c1ccc(Cl)cc1F	ZINC000805180802	674324441	/nfs/dbraw/zinc/32/44/41/674324441.db2.gz	DMLRDRSZZLEKCN-MRXNPFEDSA-N	1	1	355.841	2.421	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(Cl)cc1F	ZINC000805186374	674324950	/nfs/dbraw/zinc/32/49/50/674324950.db2.gz	GTQTVUNAUSIGHM-DYVFJYSZSA-N	1	1	366.868	2.089	20	30		FEEDMO
C[NH+](C)Cc1ccc(CNCCS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000554797983	674336960	/nfs/dbraw/zinc/33/69/60/674336960.db2.gz	YDUOZBWZVWHYOA-UHFFFAOYSA-N	1	1	357.479	2.183	20	30		FEEDMO
C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2F)C1=O	ZINC000156372306	545622757	/nfs/dbraw/zinc/62/27/57/545622757.db2.gz	WLDFNFNGGCAGQA-MOPGFXCFSA-N	1	1	353.397	2.468	20	30		FEEDMO
C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2F)C1=O	ZINC000156372306	545622762	/nfs/dbraw/zinc/62/27/62/545622762.db2.gz	WLDFNFNGGCAGQA-MOPGFXCFSA-N	1	1	353.397	2.468	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(n3cncn3)CC2)cc1C	ZINC000156589817	545638060	/nfs/dbraw/zinc/63/80/60/545638060.db2.gz	DAFDZKYMKJZSOR-UHFFFAOYSA-N	1	1	366.469	2.479	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000156708770	545651522	/nfs/dbraw/zinc/65/15/22/545651522.db2.gz	BFGJKFOJBHHBGL-WXNRQPJFSA-N	1	1	362.518	2.106	20	30		FEEDMO
CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000156922554	545676847	/nfs/dbraw/zinc/67/68/47/545676847.db2.gz	LEJOMENLCKOJDL-QGZVFWFLSA-N	1	1	373.501	2.404	20	30		FEEDMO
C#Cc1cccc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1	ZINC000160269010	546025018	/nfs/dbraw/zinc/02/50/18/546025018.db2.gz	FJYQQYXULHQYIN-YOFSQIOKSA-N	1	1	352.482	2.443	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O	ZINC000528782612	562347525	/nfs/dbraw/zinc/34/75/25/562347525.db2.gz	FAAKYAWMOBTQGK-PYLYOKMDSA-N	1	1	365.543	2.291	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O	ZINC000528782612	562347526	/nfs/dbraw/zinc/34/75/26/562347526.db2.gz	FAAKYAWMOBTQGK-PYLYOKMDSA-N	1	1	365.543	2.291	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C(N)=O)C(C)(C)C)ccc1Cl	ZINC000162806207	546141605	/nfs/dbraw/zinc/14/16/05/546141605.db2.gz	UCRVCDYTGFGETJ-INIZCTEOSA-N	1	1	364.877	2.385	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[NH2+]C(C)(C)C(=O)N(C)C)ccc1Cl	ZINC000163239060	546143312	/nfs/dbraw/zinc/14/33/12/546143312.db2.gz	APRILSBMZXHEOB-UHFFFAOYSA-N	1	1	364.877	2.352	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1	ZINC000163170372	546143723	/nfs/dbraw/zinc/14/37/23/546143723.db2.gz	OTJLRKQFRUTSHX-UHFFFAOYSA-N	1	1	360.483	2.185	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)c2cc(C)oc2C)CC1	ZINC000170775589	546176609	/nfs/dbraw/zinc/17/66/09/546176609.db2.gz	ATOCCMWKIGTBAX-CQSZACIVSA-N	1	1	374.485	2.099	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)NCC(C)(C)C#N)CC1	ZINC000479319883	561187286	/nfs/dbraw/zinc/18/72/86/561187286.db2.gz	USAMZUIJHVGKRG-UHFFFAOYSA-N	1	1	357.502	2.173	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCC[C@@H](OCCO)C1)c1cccc(Cl)c1	ZINC000172100209	546237203	/nfs/dbraw/zinc/23/72/03/546237203.db2.gz	ZMWDZPDEWQRPEL-QGZVFWFLSA-N	1	1	365.861	2.060	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](OCCO)C1)c1cccc(Cl)c1	ZINC000172100209	546237207	/nfs/dbraw/zinc/23/72/07/546237207.db2.gz	ZMWDZPDEWQRPEL-QGZVFWFLSA-N	1	1	365.861	2.060	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCN(c2nc(CC)ns2)CC1	ZINC000174516282	546298119	/nfs/dbraw/zinc/29/81/19/546298119.db2.gz	CTYBIPWXTSNOBJ-HNNXBMFYSA-N	1	1	363.531	2.202	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(c2nc(CC)ns2)CC1	ZINC000174516282	546298122	/nfs/dbraw/zinc/29/81/22/546298122.db2.gz	CTYBIPWXTSNOBJ-HNNXBMFYSA-N	1	1	363.531	2.202	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC(N)=O)C1	ZINC000175229638	546307988	/nfs/dbraw/zinc/30/79/88/546307988.db2.gz	UFCCAXFALOQKAP-HUUCEWRRSA-N	1	1	374.510	2.464	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC(N)=O)C1	ZINC000175229638	546307992	/nfs/dbraw/zinc/30/79/92/546307992.db2.gz	UFCCAXFALOQKAP-HUUCEWRRSA-N	1	1	374.510	2.464	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)c1cccc(SCC#N)c1)N1CC[NH+](C)CC1	ZINC000175999305	546387858	/nfs/dbraw/zinc/38/78/58/546387858.db2.gz	SZIYGYJKWYSRFK-GOSISDBHSA-N	1	1	360.527	2.304	20	30		FEEDMO
COc1ccc(CC[N@H+](CC(=O)NCC#N)Cc2ccsc2)cc1OC	ZINC000178371488	546783393	/nfs/dbraw/zinc/78/33/93/546783393.db2.gz	HWDZYWOMZMRLQC-UHFFFAOYSA-N	1	1	373.478	2.450	20	30		FEEDMO
COc1ccc(CC[N@@H+](CC(=O)NCC#N)Cc2ccsc2)cc1OC	ZINC000178371488	546783399	/nfs/dbraw/zinc/78/33/99/546783399.db2.gz	HWDZYWOMZMRLQC-UHFFFAOYSA-N	1	1	373.478	2.450	20	30		FEEDMO
COCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000179340028	546934184	/nfs/dbraw/zinc/93/41/84/546934184.db2.gz	CXOQKUKSRUUULE-NRGCRIOASA-N	1	1	365.518	2.433	20	30		FEEDMO
COCCO[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000179340028	546934190	/nfs/dbraw/zinc/93/41/90/546934190.db2.gz	CXOQKUKSRUUULE-NRGCRIOASA-N	1	1	365.518	2.433	20	30		FEEDMO
C=CCNC(=O)CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1	ZINC000180395709	547100028	/nfs/dbraw/zinc/10/00/28/547100028.db2.gz	QWDSHLPLPCBISQ-MRXNPFEDSA-N	1	1	358.486	2.162	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000180414750	547105833	/nfs/dbraw/zinc/10/58/33/547105833.db2.gz	UUMMTTZARKIJRD-ZIAGYGMSSA-N	1	1	372.444	2.405	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)Cc1cccc(C#N)c1	ZINC000180826823	547187864	/nfs/dbraw/zinc/18/78/64/547187864.db2.gz	HCXVOOQZEFWCLX-MRXNPFEDSA-N	1	1	357.479	2.498	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1	ZINC000483173762	561269569	/nfs/dbraw/zinc/26/95/69/561269569.db2.gz	IAQCMQILZCYMKK-RXVVDRJESA-N	1	1	361.482	2.425	20	30		FEEDMO
COCc1noc([C@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000181503626	547324754	/nfs/dbraw/zinc/32/47/54/547324754.db2.gz	UAQNDOOJVCCVBW-HNNXBMFYSA-N	1	1	355.442	2.357	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1	ZINC000181555287	547333543	/nfs/dbraw/zinc/33/35/43/547333543.db2.gz	MLOGZEVVRPGFPH-FPOVZHCZSA-N	1	1	352.434	2.241	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1	ZINC000181555287	547333546	/nfs/dbraw/zinc/33/35/46/547333546.db2.gz	MLOGZEVVRPGFPH-FPOVZHCZSA-N	1	1	352.434	2.241	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](Cn4cncn4)C3)C2=O)cc1	ZINC000182790740	547553136	/nfs/dbraw/zinc/55/31/36/547553136.db2.gz	AHBQWPBKFBGUPB-PKOBYXMFSA-N	1	1	364.453	2.057	20	30		FEEDMO
Cc1oc(NC(=O)C[NH2+][C@H](C[S@](C)=O)c2ccccc2)c(C#N)c1C	ZINC000183082280	547598095	/nfs/dbraw/zinc/59/80/95/547598095.db2.gz	PWTCHTIHCWMLRB-CPJLOUKISA-N	1	1	359.451	2.416	20	30		FEEDMO
N#Cc1ccc(CCC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000183414551	547654534	/nfs/dbraw/zinc/65/45/34/547654534.db2.gz	UMWHZZRWJKHTIB-NRFANRHFSA-N	1	1	363.461	2.374	20	30		FEEDMO
CC[N@@H+](CCO)CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1	ZINC000183947582	547743521	/nfs/dbraw/zinc/74/35/21/547743521.db2.gz	OAABVVJEPXJRLK-UHFFFAOYSA-N	1	1	367.449	2.181	20	30		FEEDMO
C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000186037491	548076565	/nfs/dbraw/zinc/07/65/65/548076565.db2.gz	RVVJYCDYOAKACX-HNNXBMFYSA-N	1	1	360.506	2.262	20	30		FEEDMO
CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CC#Cc1ccc(Cl)cc1)CCC	ZINC000186880736	548211595	/nfs/dbraw/zinc/21/15/95/548211595.db2.gz	VVUPXGHZKCIFAQ-KRWDZBQOSA-N	1	1	363.889	2.174	20	30		FEEDMO
CCCNC(=O)C[C@@H](C(N)=O)[N@H+](CC#Cc1ccc(Cl)cc1)CCC	ZINC000186880736	548211600	/nfs/dbraw/zinc/21/16/00/548211600.db2.gz	VVUPXGHZKCIFAQ-KRWDZBQOSA-N	1	1	363.889	2.174	20	30		FEEDMO
C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N1CCN(C(C)=O)CC1)c1ccc(F)c(F)c1	ZINC000187781967	548264253	/nfs/dbraw/zinc/26/42/53/548264253.db2.gz	SMDFZPVCXCGHRW-UGSOOPFHSA-N	1	1	365.424	2.251	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1	ZINC000189162228	548297707	/nfs/dbraw/zinc/29/77/07/548297707.db2.gz	DQIPLTMJUMBTQM-HOTGVXAUSA-N	1	1	372.469	2.026	20	30		FEEDMO
C=C(C)CS(=O)(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000189538049	548304564	/nfs/dbraw/zinc/30/45/64/548304564.db2.gz	MPRZJEWIQDMWPZ-UHFFFAOYSA-N	1	1	365.543	2.080	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C	ZINC000193583091	548389884	/nfs/dbraw/zinc/38/98/84/548389884.db2.gz	XLGBONKMUWUMQG-GDZNZVCISA-N	1	1	360.483	2.134	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1Cl	ZINC000193601556	548391599	/nfs/dbraw/zinc/39/15/99/548391599.db2.gz	ZZEUPPQDYWLBKR-IYBDPMFKSA-N	1	1	360.889	2.389	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccsc2)CC1	ZINC000194313925	548463924	/nfs/dbraw/zinc/46/39/24/548463924.db2.gz	JVXXNHIUAPZZSY-INIZCTEOSA-N	1	1	361.511	2.485	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccsc2)CC1	ZINC000194313925	548463927	/nfs/dbraw/zinc/46/39/27/548463927.db2.gz	JVXXNHIUAPZZSY-INIZCTEOSA-N	1	1	361.511	2.485	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000194321826	548464892	/nfs/dbraw/zinc/46/48/92/548464892.db2.gz	HXLMQLGZHRMSRU-OAHLLOKOSA-N	1	1	374.872	2.388	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000194321826	548464898	/nfs/dbraw/zinc/46/48/98/548464898.db2.gz	HXLMQLGZHRMSRU-OAHLLOKOSA-N	1	1	374.872	2.388	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](CCC(N)=O)C3)C2=O)cc1	ZINC000245516026	548936900	/nfs/dbraw/zinc/93/69/00/548936900.db2.gz	FKISOTVOHCMGHI-WMZOPIPTSA-N	1	1	354.454	2.031	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1	ZINC000245752138	548988613	/nfs/dbraw/zinc/98/86/13/548988613.db2.gz	NZDWENVUNVHBRD-FQEVSTJZSA-N	1	1	370.497	2.250	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000488209898	561386095	/nfs/dbraw/zinc/38/60/95/561386095.db2.gz	OJFBSZBJYWGDQT-LNLFQRSKSA-N	1	1	357.498	2.484	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C)C1	ZINC000246091151	549049644	/nfs/dbraw/zinc/04/96/44/549049644.db2.gz	NTAQRCGMGFMJSI-FUHWJXTLSA-N	1	1	372.469	2.310	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@@H](C)C1	ZINC000246091151	549049647	/nfs/dbraw/zinc/04/96/47/549049647.db2.gz	NTAQRCGMGFMJSI-FUHWJXTLSA-N	1	1	372.469	2.310	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)CC[C@H]21	ZINC000246218078	549082054	/nfs/dbraw/zinc/08/20/54/549082054.db2.gz	UFUMQZOVZUFPNR-IUODEOHRSA-N	1	1	353.875	2.316	20	30		FEEDMO
CNC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000246261329	549091646	/nfs/dbraw/zinc/09/16/46/549091646.db2.gz	UTRGTCWZWZNBHQ-DLBZAZTESA-N	1	1	358.486	2.253	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000246284609	549096350	/nfs/dbraw/zinc/09/63/50/549096350.db2.gz	ABXZNTNZLUSCEA-LAUBAEHRSA-N	1	1	370.497	2.183	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000246284609	549096351	/nfs/dbraw/zinc/09/63/51/549096351.db2.gz	ABXZNTNZLUSCEA-LAUBAEHRSA-N	1	1	370.497	2.183	20	30		FEEDMO
COc1cc(OC)cc([C@@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)c1	ZINC000246297465	549099809	/nfs/dbraw/zinc/09/98/09/549099809.db2.gz	BPJZOFYGLVKFEI-JLTOFOAXSA-N	1	1	357.454	2.302	20	30		FEEDMO
COc1cc(OC)cc([C@@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)c1	ZINC000246297465	549099814	/nfs/dbraw/zinc/09/98/14/549099814.db2.gz	BPJZOFYGLVKFEI-JLTOFOAXSA-N	1	1	357.454	2.302	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1	ZINC000246950098	549249499	/nfs/dbraw/zinc/24/94/99/549249499.db2.gz	FNMGIMPKNIUMIU-IAGOWNOFSA-N	1	1	353.470	2.498	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1	ZINC000247368023	549324441	/nfs/dbraw/zinc/32/44/41/549324441.db2.gz	OYUGQTIYALVJKN-CRAIPNDOSA-N	1	1	373.476	2.258	20	30		FEEDMO
C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000489406149	561410222	/nfs/dbraw/zinc/41/02/22/561410222.db2.gz	RUKGHCZBONLVRP-IBGZPJMESA-N	1	1	357.498	2.380	20	30		FEEDMO
C=C[C@H]1CCCC[N@H+]1CC(=O)NCc1ccccc1CN1CCCC1=O	ZINC000489441233	561411247	/nfs/dbraw/zinc/41/12/47/561411247.db2.gz	QPHKOMDRBKPBKO-IBGZPJMESA-N	1	1	355.482	2.466	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@@H](C)C1	ZINC000248677456	549482769	/nfs/dbraw/zinc/48/27/69/549482769.db2.gz	KTQBOJXSZMRTIA-GOEBONIOSA-N	1	1	373.501	2.242	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000248786392	549501372	/nfs/dbraw/zinc/50/13/72/549501372.db2.gz	YYXLNRKPCINHKZ-WMLDXEAASA-N	1	1	354.454	2.123	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000248786392	549501377	/nfs/dbraw/zinc/50/13/77/549501377.db2.gz	YYXLNRKPCINHKZ-WMLDXEAASA-N	1	1	354.454	2.123	20	30		FEEDMO
C=CCCCS(=O)(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1	ZINC000489834809	561420026	/nfs/dbraw/zinc/42/00/26/561420026.db2.gz	QUUXHHNAZHGPNH-FUHWJXTLSA-N	1	1	368.547	2.421	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](Cc2nccn2C)C1	ZINC000252656446	549676066	/nfs/dbraw/zinc/67/60/66/549676066.db2.gz	GKKIFKIAGQWFQX-SJORKVTESA-N	1	1	357.502	2.406	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)[C@](C)(N)c2ccc(Br)cc2)CC1	ZINC000261629414	549736521	/nfs/dbraw/zinc/73/65/21/549736521.db2.gz	BQFLQFBJYDIUQF-QGZVFWFLSA-N	1	1	366.303	2.390	20	30		FEEDMO
C[NH+]=C(N[C@H]1C[C@@](C)(OC)C1(C)C)NC1CCN(Cc2ccccn2)CC1	ZINC000262371055	549814960	/nfs/dbraw/zinc/81/49/60/549814960.db2.gz	IPHHUVNJXLBMBC-GHTZIAJQSA-N	1	1	373.545	2.415	20	30		FEEDMO
N#Cc1cnc(NCCC[NH+]2CCN(c3ncccn3)CC2)c(Cl)c1	ZINC000263728910	549927789	/nfs/dbraw/zinc/92/77/89/549927789.db2.gz	CIVBRYHAZJHEHZ-UHFFFAOYSA-N	1	1	357.849	2.021	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)CCc2noc(C)n2)c(OC)c1	ZINC000264229989	549993326	/nfs/dbraw/zinc/99/33/26/549993326.db2.gz	RIGNLLPFIBUDKK-INIZCTEOSA-N	1	1	361.442	2.029	20	30		FEEDMO
C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CCN(C(=O)c2ccccc2)CC1	ZINC000264914568	550003585	/nfs/dbraw/zinc/00/35/85/550003585.db2.gz	GFMSGXVBYDDPPW-NRFANRHFSA-N	1	1	368.481	2.031	20	30		FEEDMO
COC(=O)[C@H]1CC12CC[NH+](CC(=O)N(CCC#N)c1ccccc1)CC2	ZINC000265042895	550005277	/nfs/dbraw/zinc/00/52/77/550005277.db2.gz	KIHWPXMCVYMWBD-QGZVFWFLSA-N	1	1	355.438	2.208	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1	ZINC000265111852	550006210	/nfs/dbraw/zinc/00/62/10/550006210.db2.gz	DWCCNMQCCJJRFQ-AQNXPRMDSA-N	1	1	367.497	2.033	20	30		FEEDMO
C=CC[NH+](CC=C)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000265130645	550006702	/nfs/dbraw/zinc/00/67/02/550006702.db2.gz	MUVODXMPWIJRSX-UHFFFAOYSA-N	1	1	369.509	2.400	20	30		FEEDMO
N#CCN1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1	ZINC000267537332	550032813	/nfs/dbraw/zinc/03/28/13/550032813.db2.gz	UAVZCGKJLLCWFL-IEBWSBKVSA-N	1	1	358.461	2.142	20	30		FEEDMO
N#CCN1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1	ZINC000267537332	550032815	/nfs/dbraw/zinc/03/28/15/550032815.db2.gz	UAVZCGKJLLCWFL-IEBWSBKVSA-N	1	1	358.461	2.142	20	30		FEEDMO
CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000268538312	550084047	/nfs/dbraw/zinc/08/40/47/550084047.db2.gz	JZPQVJVSGSBGPL-GOSISDBHSA-N	1	1	355.463	2.453	20	30		FEEDMO
N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1	ZINC000269659811	550214696	/nfs/dbraw/zinc/21/46/96/550214696.db2.gz	XGNHURSFTFBAAU-SFHVURJKSA-N	1	1	353.470	2.009	20	30		FEEDMO
N#Cc1ccc(CNC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000269699957	550218317	/nfs/dbraw/zinc/21/83/17/550218317.db2.gz	YCEJWVUBSYBOTQ-QUCCMNQESA-N	1	1	352.482	2.123	20	30		FEEDMO
CC(C)N1CC[NH+](C2CCN(C(=O)NCc3ccc(C#N)cc3)CC2)CC1	ZINC000270675607	550295691	/nfs/dbraw/zinc/29/56/91/550295691.db2.gz	XXFFXKZPOZPHBW-UHFFFAOYSA-N	1	1	369.513	2.258	20	30		FEEDMO
CCN1CC[NH+](CCCNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1	ZINC000494151089	561463507	/nfs/dbraw/zinc/46/35/07/561463507.db2.gz	XWSZYMKCCBLABK-HXUWFJFHSA-N	1	1	372.513	2.105	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1	ZINC000271269485	550359673	/nfs/dbraw/zinc/35/96/73/550359673.db2.gz	MEEZGBLPZKMGOF-QFBILLFUSA-N	1	1	356.470	2.343	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[NH+]1CCC(CCC(N)=O)CC1	ZINC000271279722	550360448	/nfs/dbraw/zinc/36/04/48/550360448.db2.gz	ZHTXNBXEEMDJRI-UHFFFAOYSA-N	1	1	360.483	2.218	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000494267856	561466013	/nfs/dbraw/zinc/46/60/13/561466013.db2.gz	KANRYJWDSCTGRU-NHCUHLMSSA-N	1	1	371.525	2.292	20	30		FEEDMO
COc1cc(F)c([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1OC	ZINC000271856890	550406232	/nfs/dbraw/zinc/40/62/32/550406232.db2.gz	YOXKHGNKKVMWGF-CYBMUJFWSA-N	1	1	362.405	2.149	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1	ZINC000272361860	550441228	/nfs/dbraw/zinc/44/12/28/550441228.db2.gz	SGZFUWCDVGSGKK-YJBOKZPZSA-N	1	1	357.454	2.133	20	30		FEEDMO
C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)C1=CC[N@@H+](C)CC1	ZINC000272757934	550469487	/nfs/dbraw/zinc/46/94/87/550469487.db2.gz	FQAZPRMHFYHXFV-HNNXBMFYSA-N	1	1	354.454	2.434	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)CCCC[NH+]1CCOCC1	ZINC000273257288	550491895	/nfs/dbraw/zinc/49/18/95/550491895.db2.gz	OVLBFKRKPFTQJF-UHFFFAOYSA-N	1	1	361.442	2.024	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc(OCCOC)cc2Cl)CC1	ZINC000274456868	550539086	/nfs/dbraw/zinc/53/90/86/550539086.db2.gz	FNJHAUJCQKHQSI-UHFFFAOYSA-N	1	1	350.846	2.146	20	30		FEEDMO
COC(=O)COc1ccc(C[N@H+](C)CC(=O)NC2(C#N)CCCCC2)cc1	ZINC000274904930	550563866	/nfs/dbraw/zinc/56/38/66/550563866.db2.gz	UNZTWTVMJBORID-UHFFFAOYSA-N	1	1	373.453	2.013	20	30		FEEDMO
COC(=O)COc1ccc(C[N@@H+](C)CC(=O)NC2(C#N)CCCCC2)cc1	ZINC000274904930	550563867	/nfs/dbraw/zinc/56/38/67/550563867.db2.gz	UNZTWTVMJBORID-UHFFFAOYSA-N	1	1	373.453	2.013	20	30		FEEDMO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CC[C@H](O)CC1	ZINC000275870652	550574837	/nfs/dbraw/zinc/57/48/37/550574837.db2.gz	NSPHNLFCYLHECG-QAQDUYKDSA-N	1	1	368.399	2.408	20	30		FEEDMO
COc1c(O)cccc1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000277060674	550627382	/nfs/dbraw/zinc/62/73/82/550627382.db2.gz	DEIYWMYHNSPOSY-QGZVFWFLSA-N	1	1	351.406	2.163	20	30		FEEDMO
C[C@@H]1COCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000277516766	550679856	/nfs/dbraw/zinc/67/98/56/550679856.db2.gz	OXHLAQSWMUREMO-APWZRJJASA-N	1	1	356.470	2.201	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CCCO1	ZINC000277641611	550695542	/nfs/dbraw/zinc/69/55/42/550695542.db2.gz	SAKGPHOFUSSQPR-MRXNPFEDSA-N	1	1	359.470	2.333	20	30		FEEDMO
N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)c1	ZINC000278398547	550781312	/nfs/dbraw/zinc/78/13/12/550781312.db2.gz	BIDSUHAPKZJYCF-IBGZPJMESA-N	1	1	366.465	2.362	20	30		FEEDMO
N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)C1	ZINC000278538004	550796848	/nfs/dbraw/zinc/79/68/48/550796848.db2.gz	FYZGTQGDSBCZRF-BMFZPTHFSA-N	1	1	351.447	2.261	20	30		FEEDMO
N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)C1	ZINC000278538004	550796850	/nfs/dbraw/zinc/79/68/50/550796850.db2.gz	FYZGTQGDSBCZRF-BMFZPTHFSA-N	1	1	351.447	2.261	20	30		FEEDMO
Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ccc(F)c(C#N)c1	ZINC000279173035	550861646	/nfs/dbraw/zinc/86/16/46/550861646.db2.gz	AIKLETLVMJPPPC-WMZOPIPTSA-N	1	1	359.424	2.475	20	30		FEEDMO
CCOC(=O)c1ncn(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1N	ZINC000279248399	550869535	/nfs/dbraw/zinc/86/95/35/550869535.db2.gz	KYCWFYUWHMQKBS-UHFFFAOYSA-N	1	1	371.416	2.490	20	30		FEEDMO
CCOCCOCC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000279485527	550895535	/nfs/dbraw/zinc/89/55/35/550895535.db2.gz	XJKZKRRZPFGDOO-UHFFFAOYSA-N	1	1	357.458	2.344	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CC)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1	ZINC000279734530	550922821	/nfs/dbraw/zinc/92/28/21/550922821.db2.gz	NQYKIFYGXYVATI-UHFFFAOYSA-N	1	1	373.388	2.414	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CC)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1	ZINC000279734530	550922823	/nfs/dbraw/zinc/92/28/23/550922823.db2.gz	NQYKIFYGXYVATI-UHFFFAOYSA-N	1	1	373.388	2.414	20	30		FEEDMO
Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ccc(C#N)cc1F	ZINC000279769109	550927092	/nfs/dbraw/zinc/92/70/92/550927092.db2.gz	SLYABZMIGOLOHP-WMZOPIPTSA-N	1	1	359.424	2.475	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@]2(CCOC2)O1	ZINC000280162085	550966696	/nfs/dbraw/zinc/96/66/96/550966696.db2.gz	FLJJTZQEEHGBRF-JXFKEZNVSA-N	1	1	367.453	2.239	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@]2(CCOC2)O1	ZINC000280162085	550966697	/nfs/dbraw/zinc/96/66/97/550966697.db2.gz	FLJJTZQEEHGBRF-JXFKEZNVSA-N	1	1	367.453	2.239	20	30		FEEDMO
CN(C(=O)C[N@@H+](C)[C@@H](CC(N)=O)c1ccccc1)C1(C#N)CCCCC1	ZINC000280239444	550973897	/nfs/dbraw/zinc/97/38/97/550973897.db2.gz	AVCAZOJVKPELBW-KRWDZBQOSA-N	1	1	356.470	2.220	20	30		FEEDMO
C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Br)cn1	ZINC000280497709	551000618	/nfs/dbraw/zinc/00/06/18/551000618.db2.gz	MRWSILLVBWQKDD-BMIGLBTASA-N	1	1	351.248	2.303	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000280680393	551020762	/nfs/dbraw/zinc/02/07/62/551020762.db2.gz	QQYRYANPSAKVHL-OAHLLOKOSA-N	1	1	352.438	2.400	20	30		FEEDMO
C=C(Cl)C[NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1	ZINC000280792446	551033093	/nfs/dbraw/zinc/03/30/93/551033093.db2.gz	UBNKDKGNWUWNOP-MRVPVSSYSA-N	1	1	353.669	2.500	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)c2ccccc2Br)C1=O	ZINC000281231061	551076166	/nfs/dbraw/zinc/07/61/66/551076166.db2.gz	FKSAVEFNVNPPCE-LSDHHAIUSA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccccc2Br)C1=O	ZINC000281231061	551076167	/nfs/dbraw/zinc/07/61/67/551076167.db2.gz	FKSAVEFNVNPPCE-LSDHHAIUSA-N	1	1	353.260	2.201	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)[C@H]2C1	ZINC000282349310	551215108	/nfs/dbraw/zinc/21/51/08/551215108.db2.gz	PEULDMKIRVZPTR-ABAIWWIYSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCC(C)(C)CCC#N	ZINC000497598071	561504346	/nfs/dbraw/zinc/50/43/46/561504346.db2.gz	JPHHSZCOXCKDPG-QGZVFWFLSA-N	1	1	372.517	2.221	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000282978640	551292572	/nfs/dbraw/zinc/29/25/72/551292572.db2.gz	LVSPWBVKGDBRSP-HNNXBMFYSA-N	1	1	352.504	2.095	20	30		FEEDMO
C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](CCOCC)CC1	ZINC000283064889	551306031	/nfs/dbraw/zinc/30/60/31/551306031.db2.gz	WXVRNYFPCLWWIX-UHFFFAOYSA-N	1	1	356.474	2.075	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000283073486	551307563	/nfs/dbraw/zinc/30/75/63/551307563.db2.gz	UYIGODBTOMOTSZ-WMZOPIPTSA-N	1	1	364.515	2.062	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c(F)c1	ZINC000283403972	551360744	/nfs/dbraw/zinc/36/07/44/551360744.db2.gz	WRCMMEDYMMVUKJ-MLGOLLRUSA-N	1	1	363.408	2.073	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c(F)c1	ZINC000283421750	551363379	/nfs/dbraw/zinc/36/33/79/551363379.db2.gz	XPVWWHGDJOUCAF-AWEZNQCLSA-N	1	1	363.408	2.217	20	30		FEEDMO
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@H+](CCOC)C1	ZINC000497839604	561509691	/nfs/dbraw/zinc/50/96/91/561509691.db2.gz	ITNJKSAIGFBXPJ-GOSISDBHSA-N	1	1	363.506	2.272	20	30		FEEDMO
Cc1ccc2nc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cn2c1	ZINC000284046141	551474124	/nfs/dbraw/zinc/47/41/24/551474124.db2.gz	SCLIDNMRJSYUDB-IBGZPJMESA-N	1	1	359.433	2.405	20	30		FEEDMO
N#Cc1ccc(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1	ZINC000498103322	561516115	/nfs/dbraw/zinc/51/61/15/561516115.db2.gz	ZOFHALQGFNYAKQ-UHFFFAOYSA-N	1	1	362.477	2.496	20	30		FEEDMO
CN(Cc1cccc(C#N)c1)C(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1	ZINC000284290786	551516157	/nfs/dbraw/zinc/51/61/57/551516157.db2.gz	NWRMIMFDEGWVQH-UHFFFAOYSA-N	1	1	370.497	2.287	20	30		FEEDMO
Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c(C#N)c1C	ZINC000284503067	551564211	/nfs/dbraw/zinc/56/42/11/551564211.db2.gz	BQLXXQXGYDPEJP-MAUKXSAKSA-N	1	1	353.474	2.218	20	30		FEEDMO
C=CCCCCCN(C)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1	ZINC000285205214	551720243	/nfs/dbraw/zinc/72/02/43/551720243.db2.gz	ZRDLEGBVTCHQLQ-UHFFFAOYSA-N	1	1	369.469	2.397	20	30		FEEDMO
Cc1ccc(OCc2nc(C[NH2+]CCn3cnc(C#N)n3)cs2)cc1	ZINC000285594421	551779993	/nfs/dbraw/zinc/77/99/93/551779993.db2.gz	UTGGORJHOHHBQK-UHFFFAOYSA-N	1	1	354.439	2.284	20	30		FEEDMO
C#CC(C)(C)[N@@H+](C)CC(=O)NCCc1ccc(OC(F)F)c(OC)c1	ZINC000286009212	551837848	/nfs/dbraw/zinc/83/78/48/551837848.db2.gz	GTXRYUYETKHRRH-UHFFFAOYSA-N	1	1	354.397	2.299	20	30		FEEDMO
C#CC(C)(C)[N@H+](C)CC(=O)NCCc1ccc(OC(F)F)c(OC)c1	ZINC000286009212	551837851	/nfs/dbraw/zinc/83/78/51/551837851.db2.gz	GTXRYUYETKHRRH-UHFFFAOYSA-N	1	1	354.397	2.299	20	30		FEEDMO
C[C@@H](CC#N)N(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000286745067	551921206	/nfs/dbraw/zinc/92/12/06/551921206.db2.gz	LDRRUJOJYHQCLC-DBVUQKKJSA-N	1	1	365.481	2.396	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)Cc1cccc(Cl)c1	ZINC000287812629	552050014	/nfs/dbraw/zinc/05/00/14/552050014.db2.gz	PHFKCAIBBXRNAB-PBHICJAKSA-N	1	1	371.872	2.116	20	30		FEEDMO
C=C(C)[C@H](NC(=O)N1CC[NH+](C[C@H](C)O)CC1)c1ccc(F)c(F)c1	ZINC000288143480	552099201	/nfs/dbraw/zinc/09/92/01/552099201.db2.gz	KYYBBBQLLRAQMT-GUYCJALGSA-N	1	1	353.413	2.290	20	30		FEEDMO
CC(C)(C#N)CNC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000499589187	561554301	/nfs/dbraw/zinc/55/43/01/561554301.db2.gz	JISITAIPBOMPRZ-UHFFFAOYSA-N	1	1	363.893	2.311	20	30		FEEDMO
Cc1onc(CC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N	ZINC000500075729	561565352	/nfs/dbraw/zinc/56/53/52/561565352.db2.gz	NVPBYRBLKPMPLI-PBHICJAKSA-N	1	1	352.438	2.424	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289189384	552279927	/nfs/dbraw/zinc/27/99/27/552279927.db2.gz	QDTKDXQAPXAZTF-IEBWSBKVSA-N	1	1	355.482	2.214	20	30		FEEDMO
C=CCCCCNC(=O)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289244383	552288064	/nfs/dbraw/zinc/28/80/64/552288064.db2.gz	VCXSMLKVYRUXTF-MJGOQNOKSA-N	1	1	357.498	2.486	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N	ZINC000289249906	552289120	/nfs/dbraw/zinc/28/91/20/552289120.db2.gz	FCAGKMHIGOTUOI-QGZVFWFLSA-N	1	1	373.501	2.024	20	30		FEEDMO
N#Cc1cncc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1	ZINC000289391314	552313488	/nfs/dbraw/zinc/31/34/88/552313488.db2.gz	CPHOMZQXUGCVGT-OAHLLOKOSA-N	1	1	362.480	2.130	20	30		FEEDMO
C[C@H](c1nc(N)nc(Cl)n1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000289399684	552314962	/nfs/dbraw/zinc/31/49/62/552314962.db2.gz	RWXGRPMERBPRKR-CYBMUJFWSA-N	1	1	371.876	2.248	20	30		FEEDMO
CCC[C@@]1(COC)CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000289493072	552330753	/nfs/dbraw/zinc/33/07/53/552330753.db2.gz	SVDKVCNIIZRFBP-KRWDZBQOSA-N	1	1	351.472	2.008	20	30		FEEDMO
CCC[C@@]1(COC)CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000289493072	552330754	/nfs/dbraw/zinc/33/07/54/552330754.db2.gz	SVDKVCNIIZRFBP-KRWDZBQOSA-N	1	1	351.472	2.008	20	30		FEEDMO
COCC1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCOCC1	ZINC000289674975	552360038	/nfs/dbraw/zinc/36/00/38/552360038.db2.gz	YYCARYDNSQNCFP-UHFFFAOYSA-N	1	1	371.481	2.036	20	30		FEEDMO
COCC1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCOCC1	ZINC000289674975	552360039	/nfs/dbraw/zinc/36/00/39/552360039.db2.gz	YYCARYDNSQNCFP-UHFFFAOYSA-N	1	1	371.481	2.036	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCN(C)C(=O)CCCCOc1cccc(C#N)c1	ZINC000290252731	552448546	/nfs/dbraw/zinc/44/85/46/552448546.db2.gz	YCKQXGMFUQAARA-UHFFFAOYSA-N	1	1	374.529	2.449	20	30		FEEDMO
CN(CCCN(C)C(=O)CCCCOc1cccc(C#N)c1)CC[NH+](C)C	ZINC000290252731	552448549	/nfs/dbraw/zinc/44/85/49/552448549.db2.gz	YCKQXGMFUQAARA-UHFFFAOYSA-N	1	1	374.529	2.449	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C)[C@H](C)C1	ZINC000290321846	552460275	/nfs/dbraw/zinc/46/02/75/552460275.db2.gz	ZOFXRWOUKUCQEK-QAPCUYQASA-N	1	1	368.485	2.432	20	30		FEEDMO
CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000290420169	552476274	/nfs/dbraw/zinc/47/62/74/552476274.db2.gz	VEJKJCNIDHJJRI-CQSZACIVSA-N	1	1	362.499	2.476	20	30		FEEDMO
C=CCn1c(SC[C@H](O)C[N@H+](C)C2CC2)nc2sccc2c1=O	ZINC000290499286	552489029	/nfs/dbraw/zinc/48/90/29/552489029.db2.gz	ANKHHERHLQEBAL-GFCCVEGCSA-N	1	1	351.497	2.191	20	30		FEEDMO
N#Cc1cncc(S(=O)(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1	ZINC000290964474	552569661	/nfs/dbraw/zinc/56/96/61/552569661.db2.gz	OXMBVJSQCKYVNN-UHFFFAOYSA-N	1	1	356.451	2.392	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1)C1(C#N)CCCCC1	ZINC000291380748	552620767	/nfs/dbraw/zinc/62/07/67/552620767.db2.gz	ASZYZBOCBXWEQS-HXUWFJFHSA-N	1	1	355.482	2.307	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1)C1(C#N)CCCCC1	ZINC000291380748	552620769	/nfs/dbraw/zinc/62/07/69/552620769.db2.gz	ASZYZBOCBXWEQS-HXUWFJFHSA-N	1	1	355.482	2.307	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@]2(CC[N@@H+](C)C2)C1	ZINC000292074048	552691052	/nfs/dbraw/zinc/69/10/52/552691052.db2.gz	DZGWVRHLKYBTAB-OXQOHEQNSA-N	1	1	358.461	2.488	20	30		FEEDMO
COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292104287	552694291	/nfs/dbraw/zinc/69/42/91/552694291.db2.gz	GQFKENYXVLTHPP-KSSFIOAISA-N	1	1	366.421	2.442	20	30		FEEDMO
COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292104287	552694292	/nfs/dbraw/zinc/69/42/92/552694292.db2.gz	GQFKENYXVLTHPP-KSSFIOAISA-N	1	1	366.421	2.442	20	30		FEEDMO
Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292210643	552705021	/nfs/dbraw/zinc/70/50/21/552705021.db2.gz	OKKCHKSIHJWZGX-GOSISDBHSA-N	1	1	350.422	2.031	20	30		FEEDMO
Cc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292210643	552705022	/nfs/dbraw/zinc/70/50/22/552705022.db2.gz	OKKCHKSIHJWZGX-GOSISDBHSA-N	1	1	350.422	2.031	20	30		FEEDMO
Cc1c(-c2cc(C[N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)on2)cnn1C	ZINC000292383137	552721576	/nfs/dbraw/zinc/72/15/76/552721576.db2.gz	ZGXQZOIQURLCBB-OAHLLOKOSA-N	1	1	364.409	2.304	20	30		FEEDMO
C=C(C)COc1cc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)ccc1OC	ZINC000292678538	552748685	/nfs/dbraw/zinc/74/86/85/552748685.db2.gz	AMJWHQOIKGAXEU-MRXNPFEDSA-N	1	1	368.499	2.116	20	30		FEEDMO
C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)ccc1OC	ZINC000292678538	552748686	/nfs/dbraw/zinc/74/86/86/552748686.db2.gz	AMJWHQOIKGAXEU-MRXNPFEDSA-N	1	1	368.499	2.116	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1	ZINC000292701384	552750654	/nfs/dbraw/zinc/75/06/54/552750654.db2.gz	CKJZGIGHSBJULD-HXUWFJFHSA-N	1	1	350.470	2.386	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+](CC)C[C@@H](O)COc1ccc(CCOC)cc1	ZINC000292916194	552770982	/nfs/dbraw/zinc/77/09/82/552770982.db2.gz	HTWOMLAVGRYYBL-RBUKOAKNSA-N	1	1	351.487	2.264	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CO)CC1	ZINC000293269567	552805530	/nfs/dbraw/zinc/80/55/30/552805530.db2.gz	UVSBLHMMLJOZHF-IAGOWNOFSA-N	1	1	359.470	2.425	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1SC	ZINC000293340491	552813057	/nfs/dbraw/zinc/81/30/57/552813057.db2.gz	KAEVFFXLASSFAJ-UHFFFAOYSA-N	1	1	353.875	2.072	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Cc1csc(Cc2ccc(F)cc2)n1	ZINC000293856438	552862824	/nfs/dbraw/zinc/86/28/24/552862824.db2.gz	AXBBUGHWNSKVAM-UHFFFAOYSA-N	1	1	359.470	2.487	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1occc1COc1cccc(C#N)c1	ZINC000294085326	552880894	/nfs/dbraw/zinc/88/08/94/552880894.db2.gz	XDQDPWANKROONC-UHFFFAOYSA-N	1	1	351.406	2.415	20	30		FEEDMO
C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)[C@@H](C)C[N@H+]1Cc1ccccc1	ZINC000501788084	561605624	/nfs/dbraw/zinc/60/56/24/561605624.db2.gz	DAMIXEACIZKZGU-MOPGFXCFSA-N	1	1	367.497	2.237	20	30		FEEDMO
C#CCO[C@H](C)C(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1	ZINC000294600911	552919431	/nfs/dbraw/zinc/91/94/31/552919431.db2.gz	NSZGRANBXHKVQO-QGZVFWFLSA-N	1	1	373.497	2.168	20	30		FEEDMO
Cn1c([C@@H]2CCCO2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000296016566	553090307	/nfs/dbraw/zinc/09/03/07/553090307.db2.gz	RNABHQXHERNGTI-SFHVURJKSA-N	1	1	366.469	2.251	20	30		FEEDMO
CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000296031427	553092401	/nfs/dbraw/zinc/09/24/01/553092401.db2.gz	SURKQRFQNSNYGM-GOSISDBHSA-N	1	1	366.469	2.343	20	30		FEEDMO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)s1	ZINC000296037257	553093974	/nfs/dbraw/zinc/09/39/74/553093974.db2.gz	ORKZPFNGILDXKE-LBPRGKRZSA-N	1	1	374.510	2.456	20	30		FEEDMO
C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000502448906	561618748	/nfs/dbraw/zinc/61/87/48/561618748.db2.gz	ZAEXHMPUKDJCLN-OAHLLOKOSA-N	1	1	373.478	2.349	20	30		FEEDMO
C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000502448906	561618749	/nfs/dbraw/zinc/61/87/49/561618749.db2.gz	ZAEXHMPUKDJCLN-OAHLLOKOSA-N	1	1	373.478	2.349	20	30		FEEDMO
COC(=O)C1CCN(C(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1	ZINC000502534082	561620497	/nfs/dbraw/zinc/62/04/97/561620497.db2.gz	JCLLKAIDPYOTMX-UHFFFAOYSA-N	1	1	367.449	2.059	20	30		FEEDMO
COC(=O)C1CCN(C(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1	ZINC000502534082	561620498	/nfs/dbraw/zinc/62/04/98/561620498.db2.gz	JCLLKAIDPYOTMX-UHFFFAOYSA-N	1	1	367.449	2.059	20	30		FEEDMO
COC[C@@]1(C)CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000296573818	553181759	/nfs/dbraw/zinc/18/17/59/553181759.db2.gz	DJFOQWWYPDBSKN-IBGZPJMESA-N	1	1	353.426	2.041	20	30		FEEDMO
COC[C@@]1(C)CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000296573818	553181760	/nfs/dbraw/zinc/18/17/60/553181760.db2.gz	DJFOQWWYPDBSKN-IBGZPJMESA-N	1	1	353.426	2.041	20	30		FEEDMO
C[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+](C2CC2)C1	ZINC000296695559	553199178	/nfs/dbraw/zinc/19/91/78/553199178.db2.gz	KFRWRSHBEBYKJM-OXJNMPFZSA-N	1	1	352.482	2.470	20	30		FEEDMO
CCn1cnc2c(c1=O)CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)C2	ZINC000503280981	561638842	/nfs/dbraw/zinc/63/88/42/561638842.db2.gz	CGEFEVBGHYVDMN-UHFFFAOYSA-N	1	1	360.364	2.295	20	30		FEEDMO
CCn1cnc2c(c1=O)CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C2	ZINC000503280981	561638843	/nfs/dbraw/zinc/63/88/43/561638843.db2.gz	CGEFEVBGHYVDMN-UHFFFAOYSA-N	1	1	360.364	2.295	20	30		FEEDMO
COc1cccc([C@@H](CNS(=O)(=O)Cc2cccc(C#N)c2)[NH+](C)C)c1	ZINC000298375275	553418038	/nfs/dbraw/zinc/41/80/38/553418038.db2.gz	AUMKMYFLKBMVAZ-LJQANCHMSA-N	1	1	373.478	2.289	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000299142862	553521072	/nfs/dbraw/zinc/52/10/72/553521072.db2.gz	AEBGAVJRWFTXQE-QFBILLFUSA-N	1	1	370.497	2.191	20	30		FEEDMO
C#Cc1cccc(NC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000299491244	553570964	/nfs/dbraw/zinc/57/09/64/553570964.db2.gz	JNWRBJRDBSCPOO-UHFFFAOYSA-N	1	1	363.465	2.397	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000299711523	553605054	/nfs/dbraw/zinc/60/50/54/553605054.db2.gz	VEDALYSEYQQKHF-IYBDPMFKSA-N	1	1	357.458	2.461	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(Nc2cc(C#N)c3cc(Cl)ccc3n2)CC1	ZINC000301215216	553631782	/nfs/dbraw/zinc/63/17/82/553631782.db2.gz	ZIJPQHCNXLGTAU-UHFFFAOYSA-N	1	1	357.845	2.382	20	30		FEEDMO
CS(=O)(=O)CC[NH+]1CCC(Nc2cc(C#N)nc3ccccc32)CC1	ZINC000301388103	553647738	/nfs/dbraw/zinc/64/77/38/553647738.db2.gz	DRFDOQUZKDHBEJ-UHFFFAOYSA-N	1	1	358.467	2.027	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000505046514	561665721	/nfs/dbraw/zinc/66/57/21/561665721.db2.gz	UYVMLJZRSJSIQV-UHFFFAOYSA-N	1	1	358.486	2.433	20	30		FEEDMO
CC(=O)c1ccc(C#N)c(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1	ZINC000302088664	553703447	/nfs/dbraw/zinc/70/34/47/553703447.db2.gz	FWTZVZLZQXJOQM-UHFFFAOYSA-N	1	1	368.481	2.141	20	30		FEEDMO
Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC(O)(CC#N)C3)c2c1C	ZINC000302487555	553718396	/nfs/dbraw/zinc/71/83/96/553718396.db2.gz	YCPQCULEUULXPL-UHFFFAOYSA-N	1	1	357.483	2.369	20	30		FEEDMO
C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000310823176	553753979	/nfs/dbraw/zinc/75/39/79/553753979.db2.gz	XMMNJRXZQIFNGI-KXBFYZLASA-N	1	1	355.463	2.500	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@]3(C)CCC(=O)NC3)cc2)CC1	ZINC000328675109	553805880	/nfs/dbraw/zinc/80/58/80/553805880.db2.gz	QMOFVYVMHHSPLT-FQEVSTJZSA-N	1	1	372.469	2.287	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)c1	ZINC000328696747	553808637	/nfs/dbraw/zinc/80/86/37/553808637.db2.gz	UKEPYHZWQARUJQ-CGTJXYLNSA-N	1	1	356.470	2.384	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@](F)(CO)C2)[C@@H]1c1cccs1	ZINC000328702274	553809690	/nfs/dbraw/zinc/80/96/90/553809690.db2.gz	NSTHTFUKMZLSTG-FRFSOERESA-N	1	1	355.479	2.451	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCC(=O)NC12CCC2	ZINC000328760766	553818171	/nfs/dbraw/zinc/81/81/71/553818171.db2.gz	XSLONVNNDHBRAF-ZBFHGGJFSA-N	1	1	364.490	2.127	20	30		FEEDMO
Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2CCCO[C@H](C)C2)CC1	ZINC000328802064	553824413	/nfs/dbraw/zinc/82/44/13/553824413.db2.gz	AQNIGBSYSUUDQP-QGZVFWFLSA-N	1	1	373.497	2.401	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CCO[C@@H]1C1CC1	ZINC000328849899	553832105	/nfs/dbraw/zinc/83/21/05/553832105.db2.gz	UHWZULJBWMFDSE-NSISKUIASA-N	1	1	372.513	2.268	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1	ZINC000328954401	553852781	/nfs/dbraw/zinc/85/27/81/553852781.db2.gz	MVMFQZPXTACSTE-FGTMMUONSA-N	1	1	360.502	2.467	20	30		FEEDMO
C[N@H+]1C[C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[C@@H](c2ccccc2)C1	ZINC000328959675	553853541	/nfs/dbraw/zinc/85/35/41/553853541.db2.gz	KCTMYDZVNBABEY-XDNAFOTISA-N	1	1	369.465	2.216	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](C(=O)NCC2=CC[N@@H+](C)CC2)CCC(=O)N1C1CC1	ZINC000328966375	553855068	/nfs/dbraw/zinc/85/50/68/553855068.db2.gz	MVSMXTKBMMPWNE-VQIMIIECSA-N	1	1	371.485	2.081	20	30		FEEDMO
CCc1cc(N2CCC[C@H](NC(=O)N3C[C@H](C)[N@@H+](CC)C[C@H]3C)C2)ncn1	ZINC000329068240	553874501	/nfs/dbraw/zinc/87/45/01/553874501.db2.gz	XLFVLVOMYSOROT-JZXOWHBKSA-N	1	1	374.533	2.336	20	30		FEEDMO
Cc1nc(Cn2nnc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)c2C)no1	ZINC000329106193	553881442	/nfs/dbraw/zinc/88/14/42/553881442.db2.gz	HJNCPDQSNZAING-AWEZNQCLSA-N	1	1	359.434	2.321	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCC2(C)CCOCC2)C[C@@H](C)O1	ZINC000329111443	553882220	/nfs/dbraw/zinc/88/22/20/553882220.db2.gz	GTMRWUZYPZMMOB-ZACQAIPSSA-N	1	1	353.507	2.291	20	30		FEEDMO
CC(C)[C@@H](C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000329118201	553883828	/nfs/dbraw/zinc/88/38/28/553883828.db2.gz	OHDNBSALBRHODS-OYNZLANYSA-N	1	1	354.491	2.415	20	30		FEEDMO
CC(C)[C@@H](C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000329118201	553883830	/nfs/dbraw/zinc/88/38/30/553883830.db2.gz	OHDNBSALBRHODS-OYNZLANYSA-N	1	1	354.491	2.415	20	30		FEEDMO
COCC1(C)CC[NH+](CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1	ZINC000329178741	553896652	/nfs/dbraw/zinc/89/66/52/553896652.db2.gz	NPCSYXDHQSJNIE-UHFFFAOYSA-N	1	1	359.426	2.249	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H](NC(=O)N1C[C@H]([NH+]3CCCC3)C[C@@H]1C)CC2	ZINC000329389176	553937291	/nfs/dbraw/zinc/93/72/91/553937291.db2.gz	RRZLQLXPIQZLNF-ARFHVFGLSA-N	1	1	360.506	2.189	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4F)C3=O)[C@H]2C1	ZINC000329464658	553951845	/nfs/dbraw/zinc/95/18/45/553951845.db2.gz	VDHNJWKYMHPDDF-KYJSFNMBSA-N	1	1	374.460	2.261	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)N[C@H]2CCO[C@@H]2c2ccc(OC)nc2)C[C@H]1C	ZINC000329482555	553955222	/nfs/dbraw/zinc/95/52/22/553955222.db2.gz	PYWZQUIYMKOHBF-YQYZPQCESA-N	1	1	362.474	2.249	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000506751190	561707803	/nfs/dbraw/zinc/70/78/03/561707803.db2.gz	XNALCFNIQVIIHO-BEFAXECRSA-N	1	1	351.491	2.438	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)[C@@H](C)C1	ZINC000329526520	553962118	/nfs/dbraw/zinc/96/21/18/553962118.db2.gz	HNAWQIATJQQBFI-ULQDDVLXSA-N	1	1	353.507	2.169	20	30		FEEDMO
C[C@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)C1=CC[N@@H+](C)CC1	ZINC000329533744	553963203	/nfs/dbraw/zinc/96/32/03/553963203.db2.gz	YFERMKKRYWLKES-AWEZNQCLSA-N	1	1	363.483	2.182	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CCC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1	ZINC000329582169	553971415	/nfs/dbraw/zinc/97/14/15/553971415.db2.gz	XHSGEJDDCZVFRX-HNNXBMFYSA-N	1	1	357.520	2.164	20	30		FEEDMO
Cc1cnc([C@@H](C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)s1	ZINC000329609643	553976034	/nfs/dbraw/zinc/97/60/34/553976034.db2.gz	NLIDVYZENQXPPG-NWANDNLSSA-N	1	1	352.504	2.264	20	30		FEEDMO
C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000329667916	553985260	/nfs/dbraw/zinc/98/52/60/553985260.db2.gz	RTTYVHLRRZXALM-DZGCQCFKSA-N	1	1	374.441	2.476	20	30		FEEDMO
C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CCOC2(CCCC2)C1	ZINC000329675772	553986687	/nfs/dbraw/zinc/98/66/87/553986687.db2.gz	UNKJXJJSXNJOGW-BRWVUGGUSA-N	1	1	351.491	2.187	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)NCC(=O)N2CCCC2)[C@H]1c1cccs1	ZINC000329686807	553988770	/nfs/dbraw/zinc/98/87/70/553988770.db2.gz	BFNBJFXSTDERHS-PBHICJAKSA-N	1	1	364.515	2.257	20	30		FEEDMO
CC(C)N1CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1=O	ZINC000329689506	553989304	/nfs/dbraw/zinc/98/93/04/553989304.db2.gz	BEKCVNRQFVMSLH-HOTGVXAUSA-N	1	1	350.507	2.106	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](C/C(C)=C/c2ccccc2COC)CC1	ZINC000507052681	561715667	/nfs/dbraw/zinc/71/56/67/561715667.db2.gz	NUKIPZBMICDZIC-NBVRZTHBSA-N	1	1	357.498	2.156	20	30		FEEDMO
COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)c(OC)c1	ZINC000329751176	553999628	/nfs/dbraw/zinc/99/96/28/553999628.db2.gz	VLUYRHRARKWHBM-CABCVRRESA-N	1	1	363.458	2.087	20	30		FEEDMO
COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)c(OC)c1	ZINC000329751176	553999629	/nfs/dbraw/zinc/99/96/29/553999629.db2.gz	VLUYRHRARKWHBM-CABCVRRESA-N	1	1	363.458	2.087	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCCCS3)CC2)cn1	ZINC000329761807	554001438	/nfs/dbraw/zinc/00/14/38/554001438.db2.gz	RYPQKNRDDILCJO-MRXNPFEDSA-N	1	1	351.520	2.128	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCCCS3)CC2)cn1	ZINC000329761807	554001441	/nfs/dbraw/zinc/00/14/41/554001441.db2.gz	RYPQKNRDDILCJO-MRXNPFEDSA-N	1	1	351.520	2.128	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)NCc1ccc2c(c1)OCO2	ZINC000329767014	554002296	/nfs/dbraw/zinc/00/22/96/554002296.db2.gz	YWHNITGICFSWKP-MRXNPFEDSA-N	1	1	373.453	2.206	20	30		FEEDMO
C=C[C@@](C)(O)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2	ZINC000507191216	561720705	/nfs/dbraw/zinc/72/07/05/561720705.db2.gz	XXFLMJGBWBTYGN-TZIWHRDSSA-N	1	1	372.509	2.359	20	30		FEEDMO
CC(C)O[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)C1(C)C	ZINC000329858370	554020196	/nfs/dbraw/zinc/02/01/96/554020196.db2.gz	NYUNXTCLEVWQQG-LUKYLMHMSA-N	1	1	353.507	2.145	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2coc(C3CCOCC3)n2)C1	ZINC000329877558	554023538	/nfs/dbraw/zinc/02/35/38/554023538.db2.gz	JLQOQOHRUIBZID-OAHLLOKOSA-N	1	1	351.447	2.230	20	30		FEEDMO
Cc1ccc(N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc1C#N	ZINC000329877583	554023571	/nfs/dbraw/zinc/02/35/71/554023571.db2.gz	JMMHOBMLXLVZRE-IRXDYDNUSA-N	1	1	358.486	2.356	20	30		FEEDMO
CO[C@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)N(C(C)=O)C1	ZINC000329881986	554024069	/nfs/dbraw/zinc/02/40/69/554024069.db2.gz	PGQOJSGTWMZSIA-KLIQENQMSA-N	1	1	359.470	2.414	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1	ZINC000329892916	554025759	/nfs/dbraw/zinc/02/57/59/554025759.db2.gz	AMRDYEKOIGQCOP-HTBDUDNFSA-N	1	1	353.507	2.147	20	30		FEEDMO
CN1CCO[C@@H](C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1	ZINC000329914207	554030265	/nfs/dbraw/zinc/03/02/65/554030265.db2.gz	XTJDQFJSJQZINU-MRXNPFEDSA-N	1	1	353.507	2.087	20	30		FEEDMO
O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@]2(C1)OCc1ccccc12	ZINC000329919173	554031911	/nfs/dbraw/zinc/03/19/11/554031911.db2.gz	RMMMIYFSXGJDKQ-MGPUTAFESA-N	1	1	352.438	2.491	20	30		FEEDMO
[O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CC[C@]2(C1)OCc1ccccc12	ZINC000329919173	554031914	/nfs/dbraw/zinc/03/19/14/554031914.db2.gz	RMMMIYFSXGJDKQ-MGPUTAFESA-N	1	1	352.438	2.491	20	30		FEEDMO
O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000329943493	554036646	/nfs/dbraw/zinc/03/66/46/554036646.db2.gz	HTAPWNITLQFGPD-AWEZNQCLSA-N	1	1	356.426	2.076	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)C12CCOCC2	ZINC000329990144	554045330	/nfs/dbraw/zinc/04/53/30/554045330.db2.gz	VXEXYBQMFOWOPS-VVLHAWIVSA-N	1	1	353.507	2.289	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC(NC(=O)C(C)C)CC1	ZINC000330008387	554048545	/nfs/dbraw/zinc/04/85/45/554048545.db2.gz	FKCWKBNWWXBDNM-UHFFFAOYSA-N	1	1	372.473	2.440	20	30		FEEDMO
C[N@@H+]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)CC1	ZINC000330080826	554061021	/nfs/dbraw/zinc/06/10/21/554061021.db2.gz	JQCFSFKFQSSVPX-UHFFFAOYSA-N	1	1	374.466	2.044	20	30		FEEDMO
C[N@H+]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)CC1	ZINC000330080826	554061023	/nfs/dbraw/zinc/06/10/23/554061023.db2.gz	JQCFSFKFQSSVPX-UHFFFAOYSA-N	1	1	374.466	2.044	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C1CCC(NC(=O)C2CC2)CC1	ZINC000330096812	554063920	/nfs/dbraw/zinc/06/39/20/554063920.db2.gz	YBFFWXMVENHMJY-OOHWJJMZSA-N	1	1	365.518	2.215	20	30		FEEDMO
Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)C2)nn1	ZINC000330113344	554066566	/nfs/dbraw/zinc/06/65/66/554066566.db2.gz	CTEUQLHIIFBKDH-OKZBNKHCSA-N	1	1	372.517	2.084	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1	ZINC000330162495	554076169	/nfs/dbraw/zinc/07/61/69/554076169.db2.gz	UMRWCAMAOVPNHH-INIZCTEOSA-N	1	1	362.865	2.097	20	30		FEEDMO
C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1C[C@@H]2[C@H](C1)OCCN2C	ZINC000330244592	554092529	/nfs/dbraw/zinc/09/25/29/554092529.db2.gz	DFZRDAIHKAGYRO-ZMYBRWDISA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C	ZINC000330244592	554092531	/nfs/dbraw/zinc/09/25/31/554092531.db2.gz	DFZRDAIHKAGYRO-ZMYBRWDISA-N	1	1	356.470	2.070	20	30		FEEDMO
O=C(N[C@H]1CCOC2(CCOCC2)C1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000330248984	554092790	/nfs/dbraw/zinc/09/27/90/554092790.db2.gz	ZOFRQVOACRTNJY-IBGZPJMESA-N	1	1	373.497	2.446	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	ZINC000330261777	554095393	/nfs/dbraw/zinc/09/53/93/554095393.db2.gz	PIXASAAHBKHGHG-BZZMCLGOSA-N	1	1	363.502	2.043	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC(C)(C)OC1(C)C	ZINC000330325583	554105392	/nfs/dbraw/zinc/10/53/92/554105392.db2.gz	URZHWAMHLRKCJJ-GOEBONIOSA-N	1	1	353.507	2.432	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC(C)(C)OC1(C)C	ZINC000330325585	554105618	/nfs/dbraw/zinc/10/56/18/554105618.db2.gz	URZHWAMHLRKCJJ-ZBFHGGJFSA-N	1	1	353.507	2.432	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C[C@H](C)O1	ZINC000330358631	554110970	/nfs/dbraw/zinc/11/09/70/554110970.db2.gz	VDAORZUSZFRFHN-HZSPNIEDSA-N	1	1	350.463	2.106	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C[C@H](C)O1	ZINC000330358631	554110971	/nfs/dbraw/zinc/11/09/71/554110971.db2.gz	VDAORZUSZFRFHN-HZSPNIEDSA-N	1	1	350.463	2.106	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1	ZINC000330410922	554118144	/nfs/dbraw/zinc/11/81/44/554118144.db2.gz	JXIVLEKXBQZSTR-NVXWUHKLSA-N	1	1	356.536	2.099	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1	ZINC000330434128	554121117	/nfs/dbraw/zinc/12/11/17/554121117.db2.gz	XXAMALTWTJJLIX-DAXOMENPSA-N	1	1	370.906	2.154	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1	ZINC000330434128	554121119	/nfs/dbraw/zinc/12/11/19/554121119.db2.gz	XXAMALTWTJJLIX-DAXOMENPSA-N	1	1	370.906	2.154	20	30		FEEDMO
CC(C)(O)C[NH+]1CCN(C(=O)Nc2ncc(C(F)(F)F)s2)CC1	ZINC000330453267	554124013	/nfs/dbraw/zinc/12/40/13/554124013.db2.gz	VEHGEWDRUNMQGV-UHFFFAOYSA-N	1	1	352.382	2.096	20	30		FEEDMO
CC(C)C(=O)NC1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1	ZINC000330482340	554127478	/nfs/dbraw/zinc/12/74/78/554127478.db2.gz	RJXHTZMJVBWSRQ-HZPDHXFCSA-N	1	1	352.523	2.257	20	30		FEEDMO
COC(=O)c1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc(C)c1C	ZINC000330530425	554134081	/nfs/dbraw/zinc/13/40/81/554134081.db2.gz	GGSUPEIHIXLIDQ-KBPBESRZSA-N	1	1	363.458	2.022	20	30		FEEDMO
C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](COCC(=O)N(C)C)OC(C)(C)C1	ZINC000330541251	554135592	/nfs/dbraw/zinc/13/55/92/554135592.db2.gz	SKCGLNYPJSJBGL-YJBOKZPZSA-N	1	1	359.470	2.203	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000330577763	554140757	/nfs/dbraw/zinc/14/07/57/554140757.db2.gz	HDECMCXPUNLYOE-GHMZBOCLSA-N	1	1	368.821	2.104	20	30		FEEDMO
CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1	ZINC000330638552	554149036	/nfs/dbraw/zinc/14/90/36/554149036.db2.gz	CYMXMKHOQBMJBR-GJZGRUSLSA-N	1	1	360.458	2.164	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)n1	ZINC000330659736	554152055	/nfs/dbraw/zinc/15/20/55/554152055.db2.gz	ROKAAHADCVGOJA-BJZITVGISA-N	1	1	360.506	2.050	20	30		FEEDMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2csc(C(F)(F)F)n2)CC1	ZINC000330741997	554165581	/nfs/dbraw/zinc/16/55/81/554165581.db2.gz	SHOMLTWNYLLLKM-UHFFFAOYSA-N	1	1	364.393	2.019	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000330898108	554184772	/nfs/dbraw/zinc/18/47/72/554184772.db2.gz	OUFNKCZNSUZMBA-VXGBXAGGSA-N	1	1	357.380	2.368	20	30		FEEDMO
C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(Cl)c(N)c2Cl)CC1	ZINC000330983866	554197311	/nfs/dbraw/zinc/19/73/11/554197311.db2.gz	WCNGKTWPLRNYSO-UHFFFAOYSA-N	1	1	359.257	2.044	20	30		FEEDMO
COC(=O)c1ccc(C)c(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1	ZINC000331004587	554199904	/nfs/dbraw/zinc/19/99/04/554199904.db2.gz	YPEFSKQVUCEHEU-AWEZNQCLSA-N	1	1	363.458	2.104	20	30		FEEDMO
C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CC[NH+](CCOC)CC1	ZINC000508490610	561763548	/nfs/dbraw/zinc/76/35/48/561763548.db2.gz	QOEGQBGAXMMACL-UHFFFAOYSA-N	1	1	359.449	2.347	20	30		FEEDMO
C[C@H](COc1cccc(F)c1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000331229084	554234051	/nfs/dbraw/zinc/23/40/51/554234051.db2.gz	OVUVUPVDMNKWEI-CABCVRRESA-N	1	1	367.465	2.284	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC[N@H+]1C[C@H](C)O	ZINC000331237333	554234921	/nfs/dbraw/zinc/23/49/21/554234921.db2.gz	HGAHYLIFGZDOMQ-RDJZCZTQSA-N	1	1	373.501	2.242	20	30		FEEDMO
N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)o1	ZINC000509405453	561798123	/nfs/dbraw/zinc/79/81/23/561798123.db2.gz	SXGKXENZUWNEQQ-UHFFFAOYSA-N	1	1	357.794	2.012	20	30		FEEDMO
CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCO[C@H](C#N)C1	ZINC000331979090	554356210	/nfs/dbraw/zinc/35/62/10/554356210.db2.gz	FBWJRKWBXWEQRK-MOPGFXCFSA-N	1	1	370.497	2.393	20	30		FEEDMO
CCC[N@@H+](C)[C@H](CNS(=O)(=O)N(C)CCC#N)c1ccc(Cl)cc1	ZINC000509633143	561808178	/nfs/dbraw/zinc/80/81/78/561808178.db2.gz	MEAIKMNBIDFTBZ-MRXNPFEDSA-N	1	1	372.922	2.403	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)CC[C@H]21	ZINC000332521469	554461641	/nfs/dbraw/zinc/46/16/41/554461641.db2.gz	ZHIQCFYRVCGSCF-CZUORRHYSA-N	1	1	360.845	2.093	20	30		FEEDMO
C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C1	ZINC000332536630	554466494	/nfs/dbraw/zinc/46/64/94/554466494.db2.gz	UTFUKXFOTMECMX-RTBURBONSA-N	1	1	368.525	2.375	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)[nH]1	ZINC000610560570	554528768	/nfs/dbraw/zinc/52/87/68/554528768.db2.gz	GEQKFUIXTUWPFT-UHFFFAOYSA-N	1	1	352.442	2.250	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N=c2[nH]n(C)cc2C#N)CC[N@@H+]1Cc1ccccc1	ZINC000610572108	554531767	/nfs/dbraw/zinc/53/17/67/554531767.db2.gz	CCTDQOKPANOKDJ-RHSMWYFYSA-N	1	1	352.442	2.466	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N=c2[nH]n(C)cc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000610572108	554531768	/nfs/dbraw/zinc/53/17/68/554531768.db2.gz	CCTDQOKPANOKDJ-RHSMWYFYSA-N	1	1	352.442	2.466	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)n1	ZINC000332942223	554546709	/nfs/dbraw/zinc/54/67/09/554546709.db2.gz	UDBTWNYFYQOGEZ-FUHWJXTLSA-N	1	1	367.497	2.079	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1	ZINC000511144972	561859181	/nfs/dbraw/zinc/85/91/81/561859181.db2.gz	USMAJNWCFROYPC-UHFFFAOYSA-N	1	1	359.348	2.071	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1	ZINC000511144972	561859183	/nfs/dbraw/zinc/85/91/83/561859183.db2.gz	USMAJNWCFROYPC-UHFFFAOYSA-N	1	1	359.348	2.071	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1	ZINC000360145818	554864743	/nfs/dbraw/zinc/86/47/43/554864743.db2.gz	AEUYPTSBYYBDQO-HOTGVXAUSA-N	1	1	351.491	2.400	20	30		FEEDMO
C#CC[C@H](NC(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1)c1ccccc1	ZINC000362729344	554984858	/nfs/dbraw/zinc/98/48/58/554984858.db2.gz	XXMJWLMYTOGUIG-CTNGQTDRSA-N	1	1	368.525	2.420	20	30		FEEDMO
C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000511771449	561880252	/nfs/dbraw/zinc/88/02/52/561880252.db2.gz	RSEFBJHOXLDBCD-KSZLIROESA-N	1	1	354.498	2.464	20	30		FEEDMO
Cc1ccccc1C1(O)CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000363426043	555102890	/nfs/dbraw/zinc/10/28/90/555102890.db2.gz	BDAQORGASRYUQC-UHFFFAOYSA-N	1	1	363.461	2.467	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1	ZINC000363457117	555110863	/nfs/dbraw/zinc/11/08/63/555110863.db2.gz	INUGJBVCCUPUGB-IRXDYDNUSA-N	1	1	357.454	2.323	20	30		FEEDMO
C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1	ZINC000363526112	555128730	/nfs/dbraw/zinc/12/87/30/555128730.db2.gz	UHDLIWAAMCRJPZ-ZWKOTPCHSA-N	1	1	366.396	2.197	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1	ZINC000363526112	555128732	/nfs/dbraw/zinc/12/87/32/555128732.db2.gz	UHDLIWAAMCRJPZ-ZWKOTPCHSA-N	1	1	366.396	2.197	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C	ZINC000363624663	555149704	/nfs/dbraw/zinc/14/97/04/555149704.db2.gz	JRCAWQNOZDPHPA-JKSUJKDBSA-N	1	1	367.519	2.197	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000363941978	555218880	/nfs/dbraw/zinc/21/88/80/555218880.db2.gz	SFQWHOWYIUSCGB-DLBZAZTESA-N	1	1	357.454	2.469	20	30		FEEDMO
C=C(C)C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccc(CO)o1	ZINC000512195142	561895734	/nfs/dbraw/zinc/89/57/34/561895734.db2.gz	KPFFCHNEYJJIAS-UHFFFAOYSA-N	1	1	361.442	2.015	20	30		FEEDMO
C=C(C)C[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1ccc(CO)o1	ZINC000512195142	561895735	/nfs/dbraw/zinc/89/57/35/561895735.db2.gz	KPFFCHNEYJJIAS-UHFFFAOYSA-N	1	1	361.442	2.015	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)n1	ZINC000364243156	555276810	/nfs/dbraw/zinc/27/68/10/555276810.db2.gz	WXACIODJKSCGDZ-OAQYLSRUSA-N	1	1	366.465	2.104	20	30		FEEDMO
C=CC[N@@H+](CCc1ccccc1)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000512401406	561903395	/nfs/dbraw/zinc/90/33/95/561903395.db2.gz	YRXVXLBTWHWSJA-OAQYLSRUSA-N	1	1	368.525	2.409	20	30		FEEDMO
C=CC[N@H+](CCc1ccccc1)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000512401406	561903397	/nfs/dbraw/zinc/90/33/97/561903397.db2.gz	YRXVXLBTWHWSJA-OAQYLSRUSA-N	1	1	368.525	2.409	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC([C@H]4CCCOC4)CC3)C2=O)cc1	ZINC000364710922	555381695	/nfs/dbraw/zinc/38/16/95/555381695.db2.gz	OTIPIMMUNNSTJA-HKUYNNGSSA-N	1	1	367.449	2.329	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000512573324	561909446	/nfs/dbraw/zinc/90/94/46/561909446.db2.gz	QSAYAEPOOKPHNT-MJGOQNOKSA-N	1	1	357.502	2.136	20	30		FEEDMO
CC(C)C[N@H+]1CCCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000366031695	555732226	/nfs/dbraw/zinc/73/22/26/555732226.db2.gz	XKABLXCTXFWTAU-UHFFFAOYSA-N	1	1	373.501	2.244	20	30		FEEDMO
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000366250420	555793337	/nfs/dbraw/zinc/79/33/37/555793337.db2.gz	ZEPQUWLGDTVTDW-RTBURBONSA-N	1	1	356.470	2.343	20	30		FEEDMO
Cc1cccc(CC2(O)CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1	ZINC000366480935	555856910	/nfs/dbraw/zinc/85/69/10/555856910.db2.gz	FHHUXQBSRGFLII-HXUWFJFHSA-N	1	1	355.482	2.173	20	30		FEEDMO
CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H]1CCc2[nH+]ccn2C1	ZINC000514812052	561981058	/nfs/dbraw/zinc/98/10/58/561981058.db2.gz	GNTHYWSCMPVLMX-GOSISDBHSA-N	1	1	367.453	2.175	20	30		FEEDMO
CC(C)(C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(F)cc(C#N)c1	ZINC000367691746	556115901	/nfs/dbraw/zinc/11/59/01/556115901.db2.gz	VSRQJJLTYBLDAG-ROUUACIJSA-N	1	1	359.445	2.344	20	30		FEEDMO
CC(C)(C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(F)cc(C#N)c1	ZINC000367691746	556115903	/nfs/dbraw/zinc/11/59/03/556115903.db2.gz	VSRQJJLTYBLDAG-ROUUACIJSA-N	1	1	359.445	2.344	20	30		FEEDMO
C[C@@H](CO)[N@H+]1CCCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1	ZINC000367826684	556148714	/nfs/dbraw/zinc/14/87/14/556148714.db2.gz	PHFUMZVWEYRXOE-NSHDSACASA-N	1	1	364.371	2.417	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1	ZINC000368672131	556382033	/nfs/dbraw/zinc/38/20/33/556382033.db2.gz	YIEFRHCYDUGJRW-ZWKOTPCHSA-N	1	1	354.454	2.362	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1	ZINC000368672131	556382034	/nfs/dbraw/zinc/38/20/34/556382034.db2.gz	YIEFRHCYDUGJRW-ZWKOTPCHSA-N	1	1	354.454	2.362	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1	ZINC000368823749	556422930	/nfs/dbraw/zinc/42/29/30/556422930.db2.gz	MTDXNLYHJPVKON-UHFFFAOYSA-N	1	1	358.829	2.351	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCCC3)C2)c1	ZINC000368869363	556433813	/nfs/dbraw/zinc/43/38/13/556433813.db2.gz	PXYQXFSFOQUMCT-QGZVFWFLSA-N	1	1	354.454	2.410	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](n3cncn3)C2)cc1	ZINC000368871697	556434201	/nfs/dbraw/zinc/43/42/01/556434201.db2.gz	AYGSIYJTZPRWQU-WMZOPIPTSA-N	1	1	352.442	2.169	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](n3cncn3)C2)cc1	ZINC000368871697	556434206	/nfs/dbraw/zinc/43/42/06/556434206.db2.gz	AYGSIYJTZPRWQU-WMZOPIPTSA-N	1	1	352.442	2.169	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O	ZINC000368972260	556463712	/nfs/dbraw/zinc/46/37/12/556463712.db2.gz	FZOSHIQGLRCDIP-XJNFMUPTSA-N	1	1	361.511	2.237	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O	ZINC000368972260	556463714	/nfs/dbraw/zinc/46/37/14/556463714.db2.gz	FZOSHIQGLRCDIP-XJNFMUPTSA-N	1	1	361.511	2.237	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1	ZINC000369061469	556493096	/nfs/dbraw/zinc/49/30/96/556493096.db2.gz	DZESZHJNHRZGOW-ZBZXYNRHSA-N	1	1	374.529	2.296	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](NC(=O)C2CCC2)C1	ZINC000369061469	556493100	/nfs/dbraw/zinc/49/31/00/556493100.db2.gz	DZESZHJNHRZGOW-ZBZXYNRHSA-N	1	1	374.529	2.296	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@@H]21	ZINC000369116834	556508704	/nfs/dbraw/zinc/50/87/04/556508704.db2.gz	OCJYRLJMVLEIBF-NHYWBVRUSA-N	1	1	373.400	2.292	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1	ZINC000369942607	556736778	/nfs/dbraw/zinc/73/67/78/556736778.db2.gz	BWSAIYMKRMEPFW-OXJNMPFZSA-N	1	1	368.485	2.038	20	30		FEEDMO
C=CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000369956482	556740833	/nfs/dbraw/zinc/74/08/33/556740833.db2.gz	BZTBIEGWFYGIRJ-RTWAWAEBSA-N	1	1	371.525	2.259	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1	ZINC000370213781	556812476	/nfs/dbraw/zinc/81/24/76/556812476.db2.gz	BXMIAYQNLUSGRE-FQEVSTJZSA-N	1	1	371.481	2.225	20	30		FEEDMO
C=CCN(C(=O)c1cc(C(N)=O)cn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000370327115	556840347	/nfs/dbraw/zinc/84/03/47/556840347.db2.gz	SURHSKPMYIXORE-GOSISDBHSA-N	1	1	366.465	2.027	20	30		FEEDMO
CC(C)(C[N@@H+]1CCn2ccnc2C1)C(=O)N(CCC#N)Cc1cccnc1	ZINC000370341812	556844341	/nfs/dbraw/zinc/84/43/41/556844341.db2.gz	IDJSNBCEEQRBAT-UHFFFAOYSA-N	1	1	366.469	2.062	20	30		FEEDMO
CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)N(CCC#N)Cc1cccnc1	ZINC000370341812	556844347	/nfs/dbraw/zinc/84/43/47/556844347.db2.gz	IDJSNBCEEQRBAT-UHFFFAOYSA-N	1	1	366.469	2.062	20	30		FEEDMO
C=CCC[C@@H](O)C[N@@H+]1CCCN(Cc2nc([C@H](C)OCC)no2)CC1	ZINC000370494444	556889373	/nfs/dbraw/zinc/88/93/73/556889373.db2.gz	DRKXSFREHJHDTF-JKSUJKDBSA-N	1	1	352.479	2.002	20	30		FEEDMO
Cc1nnc([C@H]2CC23CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC3)o1	ZINC000370812436	556976016	/nfs/dbraw/zinc/97/60/16/556976016.db2.gz	VSKULZDXMWTYON-QGZVFWFLSA-N	1	1	365.437	2.136	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC2(CCOC2=O)CC1	ZINC000371148449	557089249	/nfs/dbraw/zinc/08/92/49/557089249.db2.gz	MZHBTEGAQVSVJM-LFDOHDQPSA-N	1	1	361.486	2.335	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1	ZINC000371334057	557149817	/nfs/dbraw/zinc/14/98/17/557149817.db2.gz	DDTKYPIETUWGSD-KBAYOESNSA-N	1	1	373.501	2.039	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1	ZINC000371337886	557151804	/nfs/dbraw/zinc/15/18/04/557151804.db2.gz	ZZTRPQQQPJHIQM-LSBZLQRGSA-N	1	1	367.453	2.207	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1	ZINC000371337886	557151811	/nfs/dbraw/zinc/15/18/11/557151811.db2.gz	ZZTRPQQQPJHIQM-LSBZLQRGSA-N	1	1	367.453	2.207	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000371843061	557309846	/nfs/dbraw/zinc/30/98/46/557309846.db2.gz	QEAJOLMTPRYMFF-AEFFLSMTSA-N	1	1	357.502	2.325	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1	ZINC000518972241	562122262	/nfs/dbraw/zinc/12/22/62/562122262.db2.gz	VVHCMVPYQKZKIO-NVXWUHKLSA-N	1	1	361.461	2.235	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)CN2CC[NH+](C3CC3)CC2)cc1	ZINC000519276166	562128352	/nfs/dbraw/zinc/12/83/52/562128352.db2.gz	WUKWSUNEVDMLEP-UHFFFAOYSA-N	1	1	356.470	2.112	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCC(=O)Nc1sccc1C#N	ZINC000372360897	557449519	/nfs/dbraw/zinc/44/95/19/557449519.db2.gz	XQTAKGZBFYDTPI-VNQPRFMTSA-N	1	1	362.499	2.037	20	30		FEEDMO
Cc1cc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)nn1-c1cccc(C#N)c1	ZINC000372376102	557454541	/nfs/dbraw/zinc/45/45/41/557454541.db2.gz	JWHXZYCYARIZDN-QGZVFWFLSA-N	1	1	366.469	2.858	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[N@@H+](CC(C)(C)O)CC1	ZINC000372575532	557509828	/nfs/dbraw/zinc/50/98/28/557509828.db2.gz	YATYNMPENLKLLH-SFHVURJKSA-N	1	1	372.513	2.100	20	30		FEEDMO
C=CCN(C(=O)[C@H]1CCCN(C(N)=O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372598773	557516638	/nfs/dbraw/zinc/51/66/38/557516638.db2.gz	HGOMAZXDDITJJF-OALUTQOASA-N	1	1	370.497	2.066	20	30		FEEDMO
C[C@H](CO)[N@H+]1CCCN(Cc2cc(C#N)ccc2Br)CC1	ZINC000372796800	557563775	/nfs/dbraw/zinc/56/37/75/557563775.db2.gz	CQWNCQRBWQIOKC-CYBMUJFWSA-N	1	1	352.276	2.209	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)nn1	ZINC000519636102	562138034	/nfs/dbraw/zinc/13/80/34/562138034.db2.gz	BRRFJWDUTHYTEP-CQSZACIVSA-N	1	1	356.348	2.012	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H](CC#N)c3ccccc3)C2)CC1	ZINC000373507432	557707898	/nfs/dbraw/zinc/70/78/98/557707898.db2.gz	IAHSYEDIVWTFHQ-RTBURBONSA-N	1	1	354.498	2.359	20	30		FEEDMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)C[C@@H](CC#N)c3ccccc3)C2)CC1	ZINC000373507432	557707901	/nfs/dbraw/zinc/70/79/01/557707901.db2.gz	IAHSYEDIVWTFHQ-RTBURBONSA-N	1	1	354.498	2.359	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000373941130	557792348	/nfs/dbraw/zinc/79/23/48/557792348.db2.gz	BXVCTVKOKHLVSL-UZLBHIALSA-N	1	1	372.517	2.238	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000373941130	557792349	/nfs/dbraw/zinc/79/23/49/557792349.db2.gz	BXVCTVKOKHLVSL-UZLBHIALSA-N	1	1	372.517	2.238	20	30		FEEDMO
CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000373965093	557797474	/nfs/dbraw/zinc/79/74/74/557797474.db2.gz	MNYXBGYLVYYTJH-MOPGFXCFSA-N	1	1	354.454	2.362	20	30		FEEDMO
C[C@@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@H](C)[N@H+]1CCO	ZINC000520727742	562162381	/nfs/dbraw/zinc/16/23/81/562162381.db2.gz	XJOMCWKNFZMMTH-IYBDPMFKSA-N	1	1	367.497	2.375	20	30		FEEDMO
C[C@@H]1CN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@H](C)[N@@H+]1CCO	ZINC000520727742	562162382	/nfs/dbraw/zinc/16/23/82/562162382.db2.gz	XJOMCWKNFZMMTH-IYBDPMFKSA-N	1	1	367.497	2.375	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCCC[C@@H](CO)C1	ZINC000374049449	557813863	/nfs/dbraw/zinc/81/38/63/557813863.db2.gz	KAHKHZUHZDUABQ-IAGOWNOFSA-N	1	1	359.470	2.425	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)cc1	ZINC000374559280	557899752	/nfs/dbraw/zinc/89/97/52/557899752.db2.gz	FZZQKHHLCWHALI-RBBKRZOGSA-N	1	1	366.461	2.324	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C	ZINC000374592009	557903773	/nfs/dbraw/zinc/90/37/73/557903773.db2.gz	IOBDKCWCPJNADM-DLBZAZTESA-N	1	1	364.515	2.062	20	30		FEEDMO
C[C@H]1CN(CCCOc2cccc(C#N)c2)CC[N@@H+]1C1CCN(C)CC1	ZINC000374602554	557905446	/nfs/dbraw/zinc/90/54/46/557905446.db2.gz	IFJHEHSFRJMBJY-SFHVURJKSA-N	1	1	356.514	2.427	20	30		FEEDMO
C[C@H]1CN(CCCOc2cccc(C#N)c2)CC[N@H+]1C1CCN(C)CC1	ZINC000374602554	557905448	/nfs/dbraw/zinc/90/54/48/557905448.db2.gz	IFJHEHSFRJMBJY-SFHVURJKSA-N	1	1	356.514	2.427	20	30		FEEDMO
CCc1nnsc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000374877731	557944796	/nfs/dbraw/zinc/94/47/96/557944796.db2.gz	FYTGGXXBCIBNEL-UHFFFAOYSA-N	1	1	355.467	2.389	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c(OC)c1	ZINC000375028308	557966519	/nfs/dbraw/zinc/96/65/19/557966519.db2.gz	CFOVCQMEYJXRGQ-IPMKNSEASA-N	1	1	360.498	2.189	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000521348782	562174666	/nfs/dbraw/zinc/17/46/66/562174666.db2.gz	RYTLWWNQBSDOQO-HOTGVXAUSA-N	1	1	359.449	2.060	20	30		FEEDMO
Cn1cc(C[C@@H]2CC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1	ZINC000375819674	558084911	/nfs/dbraw/zinc/08/49/11/558084911.db2.gz	ZLKNMGDKUUKHOX-FXAWDEMLSA-N	1	1	363.465	2.352	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](CCCSCC#N)C2)CC1	ZINC000375898104	558095486	/nfs/dbraw/zinc/09/54/86/558095486.db2.gz	OVDUASYFXJJPNN-INIZCTEOSA-N	1	1	368.547	2.260	20	30		FEEDMO
COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)cc1C#N	ZINC000376252341	558148217	/nfs/dbraw/zinc/14/82/17/558148217.db2.gz	HNUQUOUDSIGBMP-HNNXBMFYSA-N	1	1	367.453	2.371	20	30		FEEDMO
N#Cc1ccc(C[C@H](C#N)C(=O)NCC2([NH+]3CCOCC3)CCCC2)cc1	ZINC000376299025	558154261	/nfs/dbraw/zinc/15/42/61/558154261.db2.gz	ADRRRWJOXKVDKR-LJQANCHMSA-N	1	1	366.465	2.002	20	30		FEEDMO
CCN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)o1	ZINC000376329166	558158894	/nfs/dbraw/zinc/15/88/94/558158894.db2.gz	YVTHWSVFDWOXNK-INIZCTEOSA-N	1	1	359.451	2.436	20	30		FEEDMO
CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)o1	ZINC000376329166	558158896	/nfs/dbraw/zinc/15/88/96/558158896.db2.gz	YVTHWSVFDWOXNK-INIZCTEOSA-N	1	1	359.451	2.436	20	30		FEEDMO
N#CC1(CCC[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)CCOCC1	ZINC000376627902	558199759	/nfs/dbraw/zinc/19/97/59/558199759.db2.gz	QALUCPROPLXZJS-INIZCTEOSA-N	1	1	351.516	2.127	20	30		FEEDMO
C=CC[N@H+](CC(=O)NCC1CCC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000521808881	562183988	/nfs/dbraw/zinc/18/39/88/562183988.db2.gz	PLGKICXSNRZHSB-HNNXBMFYSA-N	1	1	354.458	2.128	20	30		FEEDMO
C=CC[N@@H+](CC(=O)NCC1CCC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000521808881	562183989	/nfs/dbraw/zinc/18/39/89/562183989.db2.gz	PLGKICXSNRZHSB-HNNXBMFYSA-N	1	1	354.458	2.128	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)cc1	ZINC000376983393	558247941	/nfs/dbraw/zinc/24/79/41/558247941.db2.gz	SZKIBUPNSAQVTJ-ZFJBLLOBSA-N	1	1	353.422	2.462	20	30		FEEDMO
Cc1cc(=NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)[nH]n1CCC#N	ZINC000377578230	558369666	/nfs/dbraw/zinc/36/96/66/558369666.db2.gz	BKELKWNAXHHNNN-SJLPKXTDSA-N	1	1	366.469	2.890	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000377578684	558369917	/nfs/dbraw/zinc/36/99/17/558369917.db2.gz	AJAVVTZMWFFLAZ-JKSUJKDBSA-N	1	1	358.442	2.330	20	30		FEEDMO
Cn1c(Cl)cnc1CN1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1	ZINC000378136920	558488709	/nfs/dbraw/zinc/48/87/09/558488709.db2.gz	CQGVRCOPANAIRQ-QGZVFWFLSA-N	1	1	373.888	2.186	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[NH+]2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)c1	ZINC000378389190	558545743	/nfs/dbraw/zinc/54/57/43/558545743.db2.gz	QOHPQYMWVDTABD-SFHVURJKSA-N	1	1	366.465	2.221	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000523573343	562215459	/nfs/dbraw/zinc/21/54/59/562215459.db2.gz	UXSXMYYUCPBIOR-OKILXGFUSA-N	1	1	353.463	2.344	20	30		FEEDMO
C[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)[N@@H+]1CCO	ZINC000378568022	558584889	/nfs/dbraw/zinc/58/48/89/558584889.db2.gz	WAOKYHFWPZDBBO-HDICACEKSA-N	1	1	367.497	2.351	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)N1CCO	ZINC000378568022	558584891	/nfs/dbraw/zinc/58/48/91/558584891.db2.gz	WAOKYHFWPZDBBO-HDICACEKSA-N	1	1	367.497	2.351	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)N1CCO	ZINC000378568022	558584894	/nfs/dbraw/zinc/58/48/94/558584894.db2.gz	WAOKYHFWPZDBBO-HDICACEKSA-N	1	1	367.497	2.351	20	30		FEEDMO
C=CCOCCNC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1	ZINC000378599468	558592054	/nfs/dbraw/zinc/59/20/54/558592054.db2.gz	VDAXWPNTYUTIIG-UHFFFAOYSA-N	1	1	350.463	2.005	20	30		FEEDMO
Cc1nc(SCC(=O)NCC[NH+]2CCSCC2)c(C#N)c(C)c1C	ZINC000524285921	562226620	/nfs/dbraw/zinc/22/66/20/562226620.db2.gz	AESCYMDTJHCDSE-UHFFFAOYSA-N	1	1	364.540	2.136	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NCc1ccccc1C[N@@H+](C)C(C)C	ZINC000409593290	558706352	/nfs/dbraw/zinc/70/63/52/558706352.db2.gz	BSZUFLIETASTNM-UHFFFAOYSA-N	1	1	352.504	2.097	20	30		FEEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000409757162	558718537	/nfs/dbraw/zinc/71/85/37/558718537.db2.gz	DQFZWLDGAMBVIS-FUHWJXTLSA-N	1	1	366.469	2.081	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1	ZINC000410160830	558743296	/nfs/dbraw/zinc/74/32/96/558743296.db2.gz	GYFOMTWRESSETO-KRWDZBQOSA-N	1	1	356.536	2.101	20	30		FEEDMO
C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCCC1(C#N)CCOCC1	ZINC000410317828	558751282	/nfs/dbraw/zinc/75/12/82/558751282.db2.gz	SYMFRRQZKZIOFM-OAHLLOKOSA-N	1	1	365.499	2.427	20	30		FEEDMO
C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)NC(=O)NCC(F)(F)F	ZINC000411196473	558851713	/nfs/dbraw/zinc/85/17/13/558851713.db2.gz	UODYVBZVWDTSRC-GFCCVEGCSA-N	1	1	368.359	2.323	20	30		FEEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)C(=O)NC(=O)NCC(F)(F)F	ZINC000411196473	558851715	/nfs/dbraw/zinc/85/17/15/558851715.db2.gz	UODYVBZVWDTSRC-GFCCVEGCSA-N	1	1	368.359	2.323	20	30		FEEDMO
C[C@H]1CCCN1C(=O)CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000525270807	562244593	/nfs/dbraw/zinc/24/45/93/562244593.db2.gz	FIBKDQFCGBMPOA-SFHVURJKSA-N	1	1	354.498	2.467	20	30		FEEDMO
COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000411910110	558986655	/nfs/dbraw/zinc/98/66/55/558986655.db2.gz	LDCVLOYHBOJDID-WDSOQIARSA-N	1	1	359.470	2.020	20	30		FEEDMO
COC[C@@H]1C[C@H](O)C[N@H+]1[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000411910110	558986656	/nfs/dbraw/zinc/98/66/56/558986656.db2.gz	LDCVLOYHBOJDID-WDSOQIARSA-N	1	1	359.470	2.020	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000411966080	558996629	/nfs/dbraw/zinc/99/66/29/558996629.db2.gz	LBVIHTBGLBMHCX-VFNWGFHPSA-N	1	1	362.433	2.014	20	30		FEEDMO
C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)CN1CCOCC1	ZINC000412091068	559012628	/nfs/dbraw/zinc/01/26/28/559012628.db2.gz	LGFPHJHBTSUGQA-UHFFFAOYSA-N	1	1	355.442	2.151	20	30		FEEDMO
C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)CN1CCOCC1	ZINC000412091068	559012630	/nfs/dbraw/zinc/01/26/30/559012630.db2.gz	LGFPHJHBTSUGQA-UHFFFAOYSA-N	1	1	355.442	2.151	20	30		FEEDMO
N#Cc1cnc(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c(F)c1	ZINC000413133079	559081486	/nfs/dbraw/zinc/08/14/86/559081486.db2.gz	JPDJEADAYAPWAW-QGZVFWFLSA-N	1	1	367.428	2.402	20	30		FEEDMO
N#Cc1cnc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c(F)c1	ZINC000413286739	559095679	/nfs/dbraw/zinc/09/56/79/559095679.db2.gz	ZQTFAZQMCUGMIA-LJQANCHMSA-N	1	1	365.456	2.489	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1	ZINC000527103178	562276528	/nfs/dbraw/zinc/27/65/28/562276528.db2.gz	PUEROWNKTLIDSB-ZLPCBKJTSA-N	1	1	371.485	2.284	20	30		FEEDMO
Cn1ncc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1C#N	ZINC000527250535	562282326	/nfs/dbraw/zinc/28/23/26/562282326.db2.gz	MEFJEFMYPXLQOI-IEBWSBKVSA-N	1	1	363.465	2.418	20	30		FEEDMO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[NH2+]C[C@@](C)(F)C2)s1	ZINC000415795619	559271815	/nfs/dbraw/zinc/27/18/15/559271815.db2.gz	YLJYWSCHCSIDSE-QGZVFWFLSA-N	1	1	366.462	2.016	20	30		FEEDMO
Cn1cc(C[NH2+]C2(C(=O)[O-])CC[NH+](Cc3ccccc3)CC2)cc1C#N	ZINC000417585759	559367855	/nfs/dbraw/zinc/36/78/55/559367855.db2.gz	MCNGFTCXDDXMTH-UHFFFAOYSA-N	1	1	352.438	2.106	20	30		FEEDMO
C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000419382948	559440322	/nfs/dbraw/zinc/44/03/22/559440322.db2.gz	ZMSXDGOEJRPPET-YYIAUSFCSA-N	1	1	360.527	2.433	20	30		FEEDMO
CNC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000420967481	559515141	/nfs/dbraw/zinc/51/51/41/559515141.db2.gz	ABNHQEULDAGURY-ZDUSSCGKSA-N	1	1	374.510	2.285	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCc2ccc(C#N)s2)C[C@@H](C)O1	ZINC000422220217	559572105	/nfs/dbraw/zinc/57/21/05/559572105.db2.gz	RVVNIBSHESDONB-RBSFLKMASA-N	1	1	362.499	2.403	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1	ZINC000422294092	559576288	/nfs/dbraw/zinc/57/62/88/559576288.db2.gz	BISZLSVLZAUMES-OAQYLSRUSA-N	1	1	370.497	2.213	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422309035	559577610	/nfs/dbraw/zinc/57/76/10/559577610.db2.gz	KMJUMWQDRGJAAA-OAHLLOKOSA-N	1	1	350.507	2.059	20	30		FEEDMO
CCN(C(=O)C(=O)NCC(C)(C)CC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000422473748	559590538	/nfs/dbraw/zinc/59/05/38/559590538.db2.gz	CMKQBHSITLUXBR-SFHVURJKSA-N	1	1	370.497	2.165	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000527299133	562284215	/nfs/dbraw/zinc/28/42/15/562284215.db2.gz	XUKGIYLPPYGEHG-STQMWFEESA-N	1	1	369.391	2.490	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000527299133	562284216	/nfs/dbraw/zinc/28/42/16/562284216.db2.gz	XUKGIYLPPYGEHG-STQMWFEESA-N	1	1	369.391	2.490	20	30		FEEDMO
COC(=O)c1cnc([C@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)s1	ZINC000424736081	559675192	/nfs/dbraw/zinc/67/51/92/559675192.db2.gz	WFGGRJNVMJQMAG-NSHDSACASA-N	1	1	358.423	2.481	20	30		FEEDMO
C=CCC1(C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1	ZINC000424790783	559676711	/nfs/dbraw/zinc/67/67/11/559676711.db2.gz	LCYIHUBIRNCALW-JOCHJYFZSA-N	1	1	372.509	2.455	20	30		FEEDMO
COc1cccc(OCC[NH+]2CCN(c3cc(C)ncc3C#N)CC2)c1	ZINC000425237545	559692717	/nfs/dbraw/zinc/69/27/17/559692717.db2.gz	LISDBZKUHDAETF-UHFFFAOYSA-N	1	1	352.438	2.471	20	30		FEEDMO
Cc1cc(N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C#N)cn1	ZINC000425244914	559692995	/nfs/dbraw/zinc/69/29/95/559692995.db2.gz	IBHFYCDIBGWKSN-IAGOWNOFSA-N	1	1	358.486	2.356	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000425439679	559702395	/nfs/dbraw/zinc/70/23/95/559702395.db2.gz	FMBQBQLWQARKAJ-UFYCRDLUSA-N	1	1	357.498	2.441	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000425995179	559727212	/nfs/dbraw/zinc/72/72/12/559727212.db2.gz	TVVOZFJCHZORFE-KNQAVFIVSA-N	1	1	371.525	2.144	20	30		FEEDMO
C=CCC[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1	ZINC000427121868	559748455	/nfs/dbraw/zinc/74/84/55/559748455.db2.gz	MNRZIKXCTCPIDR-OALUTQOASA-N	1	1	357.498	2.440	20	30		FEEDMO
C[C@H](NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(F)cc1	ZINC000428772067	559782893	/nfs/dbraw/zinc/78/28/93/559782893.db2.gz	KKBZUAWMLSAWDC-KSSFIOAISA-N	1	1	368.412	2.423	20	30		FEEDMO
C[C@H](NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(F)cc1	ZINC000428772067	559782894	/nfs/dbraw/zinc/78/28/94/559782894.db2.gz	KKBZUAWMLSAWDC-KSSFIOAISA-N	1	1	368.412	2.423	20	30		FEEDMO
Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428779704	559783136	/nfs/dbraw/zinc/78/31/36/559783136.db2.gz	LJHNPNQCWULUOR-LJQANCHMSA-N	1	1	364.449	2.373	20	30		FEEDMO
Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428779704	559783137	/nfs/dbraw/zinc/78/31/37/559783137.db2.gz	LJHNPNQCWULUOR-LJQANCHMSA-N	1	1	364.449	2.373	20	30		FEEDMO
CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428823248	559784296	/nfs/dbraw/zinc/78/42/96/559784296.db2.gz	XEBZLSINJPTTCP-LJQANCHMSA-N	1	1	364.449	2.455	20	30		FEEDMO
CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428823248	559784297	/nfs/dbraw/zinc/78/42/97/559784297.db2.gz	XEBZLSINJPTTCP-LJQANCHMSA-N	1	1	364.449	2.455	20	30		FEEDMO
C=CCOc1cccnc1C(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1	ZINC000428828824	559784313	/nfs/dbraw/zinc/78/43/13/559784313.db2.gz	XVMYEGIIUJWAIG-QGZVFWFLSA-N	1	1	353.422	2.465	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C1CCC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000429545694	559800841	/nfs/dbraw/zinc/80/08/41/559800841.db2.gz	FPCAQFUJKNSHNL-IBGZPJMESA-N	1	1	368.481	2.292	20	30		FEEDMO
C=CCC(C)(C)CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1	ZINC000432076839	559851430	/nfs/dbraw/zinc/85/14/30/559851430.db2.gz	MMLOKECDMPYTJW-KRWDZBQOSA-N	1	1	359.518	2.494	20	30		FEEDMO
COc1c(C)c[nH+]c(Cn2cnc(NCc3cc(C#N)cs3)n2)c1C	ZINC000432747530	559863770	/nfs/dbraw/zinc/86/37/70/559863770.db2.gz	KFXFQKJIXCXVHE-UHFFFAOYSA-N	1	1	354.439	2.892	20	30		FEEDMO
C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)CNc2cccc(C#N)c2)C1	ZINC000434465947	559901170	/nfs/dbraw/zinc/90/11/70/559901170.db2.gz	CJTKFQRKOBMQQP-IBGZPJMESA-N	1	1	363.465	2.346	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000440056978	560003952	/nfs/dbraw/zinc/00/39/52/560003952.db2.gz	VILHASKSROROSQ-HNNXBMFYSA-N	1	1	353.463	2.191	20	30		FEEDMO
CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C	ZINC000441090058	560023348	/nfs/dbraw/zinc/02/33/48/560023348.db2.gz	CAWPVIZPTATDBT-HUUCEWRRSA-N	1	1	372.469	2.225	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@H]1C	ZINC000441090058	560023349	/nfs/dbraw/zinc/02/33/49/560023349.db2.gz	CAWPVIZPTATDBT-HUUCEWRRSA-N	1	1	372.469	2.225	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1C	ZINC000444707077	560118610	/nfs/dbraw/zinc/11/86/10/560118610.db2.gz	XVUZBJKNOWTQHT-UHFFFAOYSA-N	1	1	354.248	2.201	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(Br)cc1C	ZINC000444707077	560118611	/nfs/dbraw/zinc/11/86/11/560118611.db2.gz	XVUZBJKNOWTQHT-UHFFFAOYSA-N	1	1	354.248	2.201	20	30		FEEDMO
CC1(C)CCCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1C#N	ZINC000444735081	560119203	/nfs/dbraw/zinc/11/92/03/560119203.db2.gz	SXUVESKMQOZENW-IBGZPJMESA-N	1	1	354.498	2.345	20	30		FEEDMO
CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000447424394	560161864	/nfs/dbraw/zinc/16/18/64/560161864.db2.gz	WVPLXVOIPDOVQM-UHFFFAOYSA-N	1	1	362.861	2.388	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1	ZINC000448796964	560199862	/nfs/dbraw/zinc/19/98/62/560199862.db2.gz	PJJMAFWQBOMJFS-CQSZACIVSA-N	1	1	352.438	2.346	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1	ZINC000448796964	560199863	/nfs/dbraw/zinc/19/98/63/560199863.db2.gz	PJJMAFWQBOMJFS-CQSZACIVSA-N	1	1	352.438	2.346	20	30		FEEDMO
CC1(C#N)CCC([NH2+]CCCCN2CCN(c3ncccn3)CC2)CC1	ZINC000449121382	560216714	/nfs/dbraw/zinc/21/67/14/560216714.db2.gz	HIYAINMYLKWHID-UHFFFAOYSA-N	1	1	356.518	2.441	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@H+]2CCOC[C@@H]2CC(N)=O)c1	ZINC000449770434	560239476	/nfs/dbraw/zinc/23/94/76/560239476.db2.gz	IUNPUGPADJDFBH-IBGZPJMESA-N	1	1	365.433	2.213	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOC[C@@H]2CC(N)=O)c1	ZINC000449770434	560239477	/nfs/dbraw/zinc/23/94/77/560239477.db2.gz	IUNPUGPADJDFBH-IBGZPJMESA-N	1	1	365.433	2.213	20	30		FEEDMO
C[C@H](CNC(=O)c1cccc(C#N)c1Br)C[NH+]1CCOCC1	ZINC000449913412	560245092	/nfs/dbraw/zinc/24/50/92/560245092.db2.gz	NNHCMNGCUWJXPL-GFCCVEGCSA-N	1	1	366.259	2.019	20	30		FEEDMO
C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000450480657	560263604	/nfs/dbraw/zinc/26/36/04/560263604.db2.gz	BWQLYKFMWIDODR-FRQCXROJSA-N	1	1	351.454	2.023	20	30		FEEDMO
N#Cc1c(Br)cccc1OCC(=O)NCC[N@@H+]1CC=CCC1	ZINC000451343963	560301528	/nfs/dbraw/zinc/30/15/28/560301528.db2.gz	APYSIDXLGJPSQP-UHFFFAOYSA-N	1	1	364.243	2.078	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(CC#Cc3ccccc3)C2)CC1	ZINC000451529816	560312443	/nfs/dbraw/zinc/31/24/43/560312443.db2.gz	OBQPMNKWVJADIN-JOCHJYFZSA-N	1	1	353.510	2.304	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1	ZINC000451996045	560343820	/nfs/dbraw/zinc/34/38/20/560343820.db2.gz	PBYPZIIMWGKZII-UHOSZYNNSA-N	1	1	356.466	2.464	20	30		FEEDMO
C=CCn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1	ZINC000453455665	560387126	/nfs/dbraw/zinc/38/71/26/560387126.db2.gz	XQBSLVJNYYCZHC-JKSUJKDBSA-N	1	1	351.495	2.107	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453700005	560397758	/nfs/dbraw/zinc/39/77/58/560397758.db2.gz	QTHYTPWSRNWMBH-MRXNPFEDSA-N	1	1	364.449	2.328	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000454700575	560455048	/nfs/dbraw/zinc/45/50/48/560455048.db2.gz	VXGOYYIEWQQVLW-ZRNYENFQSA-N	1	1	373.497	2.309	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000454700575	560455049	/nfs/dbraw/zinc/45/50/49/560455049.db2.gz	VXGOYYIEWQQVLW-ZRNYENFQSA-N	1	1	373.497	2.309	20	30		FEEDMO
C=C(C)CCNC(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000455327526	560478229	/nfs/dbraw/zinc/47/82/29/560478229.db2.gz	PZADUGGMGNNBTJ-CALCHBBNSA-N	1	1	353.507	2.252	20	30		FEEDMO
C=C(C)CCNC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000455327526	560478230	/nfs/dbraw/zinc/47/82/30/560478230.db2.gz	PZADUGGMGNNBTJ-CALCHBBNSA-N	1	1	353.507	2.252	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000455432563	560482075	/nfs/dbraw/zinc/48/20/75/560482075.db2.gz	YUFDACRGUAMVGT-WCIQWLHISA-N	1	1	355.482	2.493	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)c1	ZINC000455532968	560485994	/nfs/dbraw/zinc/48/59/94/560485994.db2.gz	GDQIHEBNFQFHPQ-UHFFFAOYSA-N	1	1	353.401	2.433	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)[NH+]1CCOCC1	ZINC000455748886	560493657	/nfs/dbraw/zinc/49/36/57/560493657.db2.gz	DYOZZMAJSHDGOJ-CQSZACIVSA-N	1	1	365.865	2.475	20	30		FEEDMO
CC[C@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000455777461	560494588	/nfs/dbraw/zinc/49/45/88/560494588.db2.gz	CVLRYUJROBMZRP-APWZRJJASA-N	1	1	357.498	2.431	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000456068886	560506013	/nfs/dbraw/zinc/50/60/13/560506013.db2.gz	PDWPUWDPANMRPS-QGZVFWFLSA-N	1	1	356.514	2.269	20	30		FEEDMO
C[C@H](Cc1cnn(C)c1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000457401680	560565126	/nfs/dbraw/zinc/56/51/26/560565126.db2.gz	MGSTUQAWYQQHPE-QGZVFWFLSA-N	1	1	365.481	2.205	20	30		FEEDMO
C[C@H](Cc1cnn(C)c1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000457401680	560565127	/nfs/dbraw/zinc/56/51/27/560565127.db2.gz	MGSTUQAWYQQHPE-QGZVFWFLSA-N	1	1	365.481	2.205	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N(C)CC(C)(C)C#N	ZINC000458441772	560623665	/nfs/dbraw/zinc/62/36/65/560623665.db2.gz	NRMZPHCXSJVSOU-QGZVFWFLSA-N	1	1	357.502	2.388	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000459351214	560681554	/nfs/dbraw/zinc/68/15/54/560681554.db2.gz	CJYBRABLQXMADD-INIZCTEOSA-N	1	1	357.458	2.198	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000459351214	560681556	/nfs/dbraw/zinc/68/15/56/560681556.db2.gz	CJYBRABLQXMADD-INIZCTEOSA-N	1	1	357.458	2.198	20	30		FEEDMO
C[C@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@@H+]1C1CCN(C)CC1	ZINC000459376168	560683233	/nfs/dbraw/zinc/68/32/33/560683233.db2.gz	QZDMPTPHUJDQIJ-HNNXBMFYSA-N	1	1	357.458	2.067	20	30		FEEDMO
C[C@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@H+]1C1CCN(C)CC1	ZINC000459376168	560683234	/nfs/dbraw/zinc/68/32/34/560683234.db2.gz	QZDMPTPHUJDQIJ-HNNXBMFYSA-N	1	1	357.458	2.067	20	30		FEEDMO
C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1	ZINC000459434272	560686239	/nfs/dbraw/zinc/68/62/39/560686239.db2.gz	HROBJIJDHQQYEP-UHFFFAOYSA-N	1	1	352.398	2.357	20	30		FEEDMO
C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1	ZINC000459434272	560686240	/nfs/dbraw/zinc/68/62/40/560686240.db2.gz	HROBJIJDHQQYEP-UHFFFAOYSA-N	1	1	352.398	2.357	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)C2CCN(OC)CC2)c(OC)c1	ZINC000459593427	560696538	/nfs/dbraw/zinc/69/65/38/560696538.db2.gz	WSZPOXWYQSIREA-GOSISDBHSA-N	1	1	364.486	2.121	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCC[C@@H]3C#N)cc2)CC1	ZINC000461943025	560789071	/nfs/dbraw/zinc/78/90/71/560789071.db2.gz	VNDIKJHULVAGLX-UXHICEINSA-N	1	1	369.513	2.316	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)N[C@@H]2CCC[C@H]2C#N)[C@@H](c2ccccc2)C1	ZINC000461961464	560789855	/nfs/dbraw/zinc/78/98/55/560789855.db2.gz	VASUFVRJIHYORT-XUVXKRRUSA-N	1	1	369.513	2.357	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)N[C@@H]2CCC[C@H]2C#N)[C@@H](c2ccccc2)C1	ZINC000461961464	560789856	/nfs/dbraw/zinc/78/98/56/560789856.db2.gz	VASUFVRJIHYORT-XUVXKRRUSA-N	1	1	369.513	2.357	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)N[C@@H]2CCC[C@H]2C#N)[C@@H](c2ccccc2)C1	ZINC000461961464	560789857	/nfs/dbraw/zinc/78/98/57/560789857.db2.gz	VASUFVRJIHYORT-XUVXKRRUSA-N	1	1	369.513	2.357	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N(CCC)CC(F)(F)F)C1	ZINC000464742256	560849863	/nfs/dbraw/zinc/84/98/63/560849863.db2.gz	SHPPYHHUGDKNSL-ZIAGYGMSSA-N	1	1	363.424	2.190	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000468478416	560930937	/nfs/dbraw/zinc/93/09/37/560930937.db2.gz	BSJHFMBINNKWBG-QGZVFWFLSA-N	1	1	366.469	2.176	20	30		FEEDMO
COc1cccc([C@H](C)[NH+]2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c1	ZINC000469586580	560959152	/nfs/dbraw/zinc/95/91/52/560959152.db2.gz	HNQSQVMMYORQGS-DLBZAZTESA-N	1	1	370.497	2.325	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000471620479	561008890	/nfs/dbraw/zinc/00/88/90/561008890.db2.gz	JSDKPEOXJPLRPR-PMACEKPBSA-N	1	1	368.481	2.104	20	30		FEEDMO
CC[N@@H+](CCO)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1	ZINC000472442254	561026506	/nfs/dbraw/zinc/02/65/06/561026506.db2.gz	KOVWRKDSRSIFFE-UHFFFAOYSA-N	1	1	358.442	2.261	20	30		FEEDMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@@H](CC#N)c1ccccc1	ZINC000475530828	561099478	/nfs/dbraw/zinc/09/94/78/561099478.db2.gz	OTSRPZPVPVBNHD-RTBURBONSA-N	1	1	370.497	2.133	20	30		FEEDMO
C[NH+](C)CCN1CCC(CNC(=O)C[C@@H](CC#N)c2ccccc2)CC1	ZINC000476029740	561109830	/nfs/dbraw/zinc/10/98/30/561109830.db2.gz	GUVSXEUTCGDEIO-HXUWFJFHSA-N	1	1	356.514	2.464	20	30		FEEDMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)COc2cccnc2C#N)CC1	ZINC000477056169	561135518	/nfs/dbraw/zinc/13/55/18/561135518.db2.gz	JQLKKPMTGBADNX-UHFFFAOYSA-N	1	1	364.449	2.375	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528381002	562325882	/nfs/dbraw/zinc/32/58/82/562325882.db2.gz	LBWKBAFRWZRFKL-WMZOPIPTSA-N	1	1	373.497	2.172	20	30		FEEDMO
C[C@@H](c1cccnc1)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528385575	562326254	/nfs/dbraw/zinc/32/62/54/562326254.db2.gz	CQKMGYWSMASMQF-FXAWDEMLSA-N	1	1	366.465	2.072	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@H](Nc2ccccc2)C1	ZINC000528417082	562328004	/nfs/dbraw/zinc/32/80/04/562328004.db2.gz	RUVIOPVZFKQUCI-GOSISDBHSA-N	1	1	359.429	2.472	20	30		FEEDMO
CC(C)n1cnnc1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528422935	562328510	/nfs/dbraw/zinc/32/85/10/562328510.db2.gz	GRJLHPQQOPLICB-ROUUACIJSA-N	1	1	369.469	2.350	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12	ZINC000528451870	562330055	/nfs/dbraw/zinc/33/00/55/562330055.db2.gz	NHIHUFZJSXBPAO-QHCPKHFHSA-N	1	1	372.424	2.417	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12	ZINC000528451870	562330056	/nfs/dbraw/zinc/33/00/56/562330056.db2.gz	NHIHUFZJSXBPAO-QHCPKHFHSA-N	1	1	372.424	2.417	20	30		FEEDMO
Cn1cc([C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3C#N)CC2(C)C)cn1	ZINC000528513684	562333374	/nfs/dbraw/zinc/33/33/74/562333374.db2.gz	FJMBTOLGZPESMH-QZTJIDSGSA-N	1	1	354.454	2.157	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000528522154	562333749	/nfs/dbraw/zinc/33/37/49/562333749.db2.gz	SKENUGUFBQOYRL-ZCNNSNEGSA-N	1	1	366.461	2.302	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O	ZINC000528522148	562333826	/nfs/dbraw/zinc/33/38/26/562333826.db2.gz	SKENUGUFBQOYRL-VAMGGRTRSA-N	1	1	366.461	2.302	20	30		FEEDMO
COc1ccc2c(c1)CC[N@@H+](CC#CCN1C(=O)c3ccccc3C1=O)C2	ZINC000528555351	562336023	/nfs/dbraw/zinc/33/60/23/562336023.db2.gz	PTAJPKWFPRHTQF-UHFFFAOYSA-N	1	1	360.413	2.353	20	30		FEEDMO
COc1ccc2c(c1)CC[N@H+](CC#CCN1C(=O)c3ccccc3C1=O)C2	ZINC000528555351	562336024	/nfs/dbraw/zinc/33/60/24/562336024.db2.gz	PTAJPKWFPRHTQF-UHFFFAOYSA-N	1	1	360.413	2.353	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1	ZINC000528635529	562339375	/nfs/dbraw/zinc/33/93/75/562339375.db2.gz	AGUBZHAYHXZFND-SFHVURJKSA-N	1	1	357.454	2.140	20	30		FEEDMO
COCc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1C#N	ZINC000529213339	562365202	/nfs/dbraw/zinc/36/52/02/562365202.db2.gz	QBPFEHKBRQTQBE-CQSZACIVSA-N	1	1	360.458	2.014	20	30		FEEDMO
N#Cc1ccc(CC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1	ZINC000529409822	562372828	/nfs/dbraw/zinc/37/28/28/562372828.db2.gz	UTJWSHAAMHGAAS-VQTJNVASSA-N	1	1	360.461	2.476	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)c1ccc(Cl)cc1	ZINC000531095118	562434523	/nfs/dbraw/zinc/43/45/23/562434523.db2.gz	AJVUQQRXSORYHS-MRXNPFEDSA-N	1	1	364.858	2.188	20	30		FEEDMO
N#Cc1csc(C[NH2+]CCCCN2CCN(c3ncccn3)CC2)c1	ZINC000531356415	562443083	/nfs/dbraw/zinc/44/30/83/562443083.db2.gz	KUMUGFMKCGYRFA-UHFFFAOYSA-N	1	1	356.499	2.102	20	30		FEEDMO
C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(S(C)(=O)=O)cc1	ZINC000532972010	562494145	/nfs/dbraw/zinc/49/41/45/562494145.db2.gz	MZYJSNXVHVUTCF-UHFFFAOYSA-N	1	1	371.462	2.422	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(S(C)(=O)=O)cc1	ZINC000532972010	562494146	/nfs/dbraw/zinc/49/41/46/562494146.db2.gz	MZYJSNXVHVUTCF-UHFFFAOYSA-N	1	1	371.462	2.422	20	30		FEEDMO
CC(C)(C)NC(=O)CN1CCC(C[NH2+]Cc2ccc(C#N)cc2F)CC1	ZINC000532987891	562494772	/nfs/dbraw/zinc/49/47/72/562494772.db2.gz	YNUZNTMTOABKOM-UHFFFAOYSA-N	1	1	360.477	2.414	20	30		FEEDMO
N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)c(F)c1	ZINC000533311368	562504910	/nfs/dbraw/zinc/50/49/10/562504910.db2.gz	PCOBLBNIRSLARW-UHFFFAOYSA-N	1	1	367.833	2.419	20	30		FEEDMO
C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN(CCC#N)CCC#N)CC1	ZINC000534833604	562543502	/nfs/dbraw/zinc/54/35/02/562543502.db2.gz	PAEGHQHOTSSCNA-GOSISDBHSA-N	1	1	353.470	2.021	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)OCC	ZINC000536433011	562575377	/nfs/dbraw/zinc/57/53/77/562575377.db2.gz	INKUTMFCYZGLBU-UFYCRDLUSA-N	1	1	360.498	2.357	20	30		FEEDMO
N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)C1	ZINC000602166864	567946609	/nfs/dbraw/zinc/94/66/09/567946609.db2.gz	LDUOKQHKGYSDMO-YOUFYPILSA-N	1	1	353.466	2.334	20	30		FEEDMO
C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCc2c(CC#N)cccc2C1	ZINC000602573922	567996407	/nfs/dbraw/zinc/99/64/07/567996407.db2.gz	OAEKKPXEYGREDF-OAQYLSRUSA-N	1	1	362.477	2.097	20	30		FEEDMO
CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCc2c(CC#N)cccc2C1	ZINC000602573922	567996408	/nfs/dbraw/zinc/99/64/08/567996408.db2.gz	OAEKKPXEYGREDF-OAQYLSRUSA-N	1	1	362.477	2.097	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)CCOCC1	ZINC000602882021	568004604	/nfs/dbraw/zinc/00/46/04/568004604.db2.gz	IRNKZSADTPSTSQ-ROUUACIJSA-N	1	1	366.465	2.490	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1	ZINC000602885231	568005541	/nfs/dbraw/zinc/00/55/41/568005541.db2.gz	DAJDDVVFSVXKMJ-JXFKEZNVSA-N	1	1	351.454	2.474	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1	ZINC000602885231	568005542	/nfs/dbraw/zinc/00/55/42/568005542.db2.gz	DAJDDVVFSVXKMJ-JXFKEZNVSA-N	1	1	351.454	2.474	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1	ZINC000602987767	568034060	/nfs/dbraw/zinc/03/40/60/568034060.db2.gz	QOKVNGADSWAAAZ-IJEWVQPXSA-N	1	1	369.387	2.424	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1	ZINC000602987767	568034061	/nfs/dbraw/zinc/03/40/61/568034061.db2.gz	QOKVNGADSWAAAZ-IJEWVQPXSA-N	1	1	369.387	2.424	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2cc(C(=O)OC)on2)CC1	ZINC000602999294	568043515	/nfs/dbraw/zinc/04/35/15/568043515.db2.gz	CQDQEYAKCKHOFV-CQSZACIVSA-N	1	1	363.458	2.454	20	30		FEEDMO
Cc1ccc(N2CCC(C(=O)N3C[C@@H](C)N(CC#N)[C@H](C)C3)CC2)[nH+]c1	ZINC000603101988	568061915	/nfs/dbraw/zinc/06/19/15/568061915.db2.gz	RGCKVACJXNWBTG-IAGOWNOFSA-N	1	1	355.486	2.051	20	30		FEEDMO
C[C@](CO)([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(O)c1	ZINC000570603786	568490277	/nfs/dbraw/zinc/49/02/77/568490277.db2.gz	IDCYJISJSQHQOP-GOSISDBHSA-N	1	1	359.813	2.353	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1	ZINC000735561427	599192691	/nfs/dbraw/zinc/19/26/91/599192691.db2.gz	YLAUVLWWIBOOBL-CYBMUJFWSA-N	1	1	361.409	2.197	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1)[N@@H+](C)Cc1ccccc1	ZINC000735561427	599192692	/nfs/dbraw/zinc/19/26/92/599192692.db2.gz	YLAUVLWWIBOOBL-CYBMUJFWSA-N	1	1	361.409	2.197	20	30		FEEDMO
N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1	ZINC000737711228	598417527	/nfs/dbraw/zinc/41/75/27/598417527.db2.gz	IESJHMBNRQCSPN-UHFFFAOYSA-N	1	1	373.464	2.446	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1	ZINC000737711228	598417529	/nfs/dbraw/zinc/41/75/29/598417529.db2.gz	IESJHMBNRQCSPN-UHFFFAOYSA-N	1	1	373.464	2.446	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1	ZINC000737711228	598417531	/nfs/dbraw/zinc/41/75/31/598417531.db2.gz	IESJHMBNRQCSPN-UHFFFAOYSA-N	1	1	373.464	2.446	20	30		FEEDMO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@H+](C)[C@H](C)CC	ZINC000735420941	598430451	/nfs/dbraw/zinc/43/04/51/598430451.db2.gz	VTVYEBHJKAXBMH-OAHLLOKOSA-N	1	1	371.489	2.295	20	30		FEEDMO
C[NH+](C)Cc1cnc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)s1	ZINC000809639958	674502284	/nfs/dbraw/zinc/50/22/84/674502284.db2.gz	RLRUIGUDOOKZKQ-JSGCOSHPSA-N	1	1	365.503	2.053	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[NH+]1CCC(CNS(C)(=O)=O)CC1	ZINC000809694518	674505504	/nfs/dbraw/zinc/50/55/04/674505504.db2.gz	RHDVFKJFWMEXSZ-UHFFFAOYSA-N	1	1	370.902	2.113	20	30		FEEDMO
C#CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C1CCCC1	ZINC000819697566	606784817	/nfs/dbraw/zinc/78/48/17/606784817.db2.gz	IANPWPDZDQOGCZ-UHFFFAOYSA-N	1	1	358.833	2.336	20	30		FEEDMO
C#CC[N@H+](CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1)C1CCCC1	ZINC000819697566	606784819	/nfs/dbraw/zinc/78/48/19/606784819.db2.gz	IANPWPDZDQOGCZ-UHFFFAOYSA-N	1	1	358.833	2.336	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)C[N@H+](CC)CCC)c(F)c1	ZINC000810495996	674546886	/nfs/dbraw/zinc/54/68/86/674546886.db2.gz	MZBXJIAMMVGGAP-LBPRGKRZSA-N	1	1	351.397	2.121	20	30		FEEDMO
C=CCNC(=O)CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC	ZINC000561670122	674688593	/nfs/dbraw/zinc/68/85/93/674688593.db2.gz	FAASYMHRCZFMSQ-INIZCTEOSA-N	1	1	366.893	2.324	20	30		FEEDMO
COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(Br)cc1C#N	ZINC000561866498	674704524	/nfs/dbraw/zinc/70/45/24/674704524.db2.gz	VKLGDSCPZKGIJZ-HNNXBMFYSA-N	1	1	355.232	2.379	20	30		FEEDMO
C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2C1	ZINC001048943150	675019103	/nfs/dbraw/zinc/01/91/03/675019103.db2.gz	ZTJMCWOZXDZDNV-ARKGTOAJSA-N	1	1	369.303	2.100	20	30		FEEDMO
C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2C1	ZINC001048943150	675019106	/nfs/dbraw/zinc/01/91/06/675019106.db2.gz	ZTJMCWOZXDZDNV-ARKGTOAJSA-N	1	1	369.303	2.100	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnc(Cl)s3)C[C@@H]2C1	ZINC001049069346	675022186	/nfs/dbraw/zinc/02/21/86/675022186.db2.gz	DBNWGUDGTKQETP-OSRDXIQISA-N	1	1	367.902	2.278	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnc(Cl)s3)C[C@@H]2C1	ZINC001049069346	675022188	/nfs/dbraw/zinc/02/21/88/675022188.db2.gz	DBNWGUDGTKQETP-OSRDXIQISA-N	1	1	367.902	2.278	20	30		FEEDMO
C=CCCCNC(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000564528364	675031854	/nfs/dbraw/zinc/03/18/54/675031854.db2.gz	SKGUNQYDBCFPFL-IRXDYDNUSA-N	1	1	353.507	2.252	20	30		FEEDMO
Cc1cc(CN2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)no1	ZINC000039519803	670140734	/nfs/dbraw/zinc/14/07/34/670140734.db2.gz	GNHOAMZZONZGIP-UHFFFAOYSA-N	1	1	359.455	2.063	20	30		FEEDMO
CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000569559674	670578503	/nfs/dbraw/zinc/57/85/03/670578503.db2.gz	RLVSWANMAWMSHE-CQSZACIVSA-N	1	1	362.861	2.191	20	30		FEEDMO
C=CC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1cccc(C#N)c1	ZINC000107910647	670824435	/nfs/dbraw/zinc/82/44/35/670824435.db2.gz	KLPRUKFMJYYQDA-UHFFFAOYSA-N	1	1	355.463	2.436	20	30		FEEDMO
COc1ccc(Cl)cc1NC(=O)CON=C(N)C[N@H+]1CCCC[C@H]1C	ZINC000111179241	670855762	/nfs/dbraw/zinc/85/57/62/670855762.db2.gz	GCLKZUHPNCGDDK-GFCCVEGCSA-N	1	1	368.865	2.450	20	30		FEEDMO
C[C@@H](O[NH+]=C(N)C1CCOCC1)C(=O)Nc1ccc(Br)cc1	ZINC000112087645	670865614	/nfs/dbraw/zinc/86/56/14/670865614.db2.gz	VFMSOTRZVWJYCA-SNVBAGLBSA-N	1	1	370.247	2.492	20	30		FEEDMO
C[N@@H+](CCCNS(=O)(=O)c1cccc(F)c1C#N)Cc1ccccc1	ZINC000113769283	670888212	/nfs/dbraw/zinc/88/82/12/670888212.db2.gz	SBFGZJUIAPXFAB-UHFFFAOYSA-N	1	1	361.442	2.498	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCO[C@H](CF)C1)CCC2	ZINC000573781181	671163648	/nfs/dbraw/zinc/16/36/48/671163648.db2.gz	JLPCWFLRZGORDJ-GFCCVEGCSA-N	1	1	351.447	2.497	20	30		FEEDMO
N#CCC1(CS(=O)(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CC1	ZINC000566136062	675185027	/nfs/dbraw/zinc/18/50/27/675185027.db2.gz	BWQWXWJBVRZGMB-ZWKOTPCHSA-N	1	1	359.495	2.216	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CCn1cc(Br)cn1	ZINC000576309971	671359499	/nfs/dbraw/zinc/35/94/99/671359499.db2.gz	MWGOYWNQDAWKPJ-ZDUSSCGKSA-N	1	1	355.280	2.167	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CCn1cc(Br)cn1	ZINC000576309971	671359504	/nfs/dbraw/zinc/35/95/04/671359504.db2.gz	MWGOYWNQDAWKPJ-ZDUSSCGKSA-N	1	1	355.280	2.167	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CCN1CCC[N@@H+](C[C@H]2CCCO2)CC1	ZINC000609433620	675922145	/nfs/dbraw/zinc/92/21/45/675922145.db2.gz	WRPXYZKTETWQLC-MRXNPFEDSA-N	1	1	362.499	2.135	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000579031252	671707252	/nfs/dbraw/zinc/70/72/52/671707252.db2.gz	KVWIQARMBVXIGM-VXGBXAGGSA-N	1	1	362.499	2.407	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000579031252	671707259	/nfs/dbraw/zinc/70/72/59/671707259.db2.gz	KVWIQARMBVXIGM-VXGBXAGGSA-N	1	1	362.499	2.407	20	30		FEEDMO
C[N@@H+](CCc1ccccc1)[C@H]1CCN(S(=O)(=O)CC2(CC#N)CC2)C1	ZINC000579615603	671748737	/nfs/dbraw/zinc/74/87/37/671748737.db2.gz	NHNKYHFGFQCEDG-SFHVURJKSA-N	1	1	361.511	2.259	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000580151327	671785864	/nfs/dbraw/zinc/78/58/64/671785864.db2.gz	PSQJBWBYJQQIIY-NXOAAHMSSA-N	1	1	353.507	2.155	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000580151330	671785937	/nfs/dbraw/zinc/78/59/37/671785937.db2.gz	PSQJBWBYJQQIIY-YVSFHVDLSA-N	1	1	353.507	2.155	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000580151330	671785939	/nfs/dbraw/zinc/78/59/39/671785939.db2.gz	PSQJBWBYJQQIIY-YVSFHVDLSA-N	1	1	353.507	2.155	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)C[C@H]1[NH+]1CCOCC1	ZINC000581175021	671870339	/nfs/dbraw/zinc/87/03/39/671870339.db2.gz	WLEKYKOLNQVTAR-BLLLJJGKSA-N	1	1	363.849	2.181	20	30		FEEDMO
C[C@@H]1[C@H](C)SCC[N@@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000118383679	671885851	/nfs/dbraw/zinc/88/58/51/671885851.db2.gz	ZWIIFHYYJAJCJH-KGLIPLIRSA-N	1	1	358.467	2.106	20	30		FEEDMO
C[C@@H]1[C@H](C)SCC[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000118383679	671885856	/nfs/dbraw/zinc/88/58/56/671885856.db2.gz	ZWIIFHYYJAJCJH-KGLIPLIRSA-N	1	1	358.467	2.106	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](CCC)[C@H]1C[C@@H](OCC)C12CCCC2	ZINC000610134194	675955914	/nfs/dbraw/zinc/95/59/14/675955914.db2.gz	USHBPRLRIBMNGG-JKSUJKDBSA-N	1	1	351.491	2.448	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2cccnc2C#N)C1	ZINC000582098852	671967676	/nfs/dbraw/zinc/96/76/76/671967676.db2.gz	BBVZVGBLFDICTA-HOCLYGCPSA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2cccnc2C#N)C1	ZINC000582098852	671967678	/nfs/dbraw/zinc/96/76/78/671967678.db2.gz	BBVZVGBLFDICTA-HOCLYGCPSA-N	1	1	356.451	2.067	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)OC(C)(C)C	ZINC000130022854	672069481	/nfs/dbraw/zinc/06/94/81/672069481.db2.gz	FKGMFJQOURLLSV-KSSFIOAISA-N	1	1	354.495	2.228	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)OC(C)(C)C	ZINC000130022854	672069483	/nfs/dbraw/zinc/06/94/83/672069483.db2.gz	FKGMFJQOURLLSV-KSSFIOAISA-N	1	1	354.495	2.228	20	30		FEEDMO
C=C(C)CN(CC)C(=O)CN1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000588710786	672474537	/nfs/dbraw/zinc/47/45/37/672474537.db2.gz	WDVHHORDYBVTOL-ROUUACIJSA-N	1	1	351.535	2.232	20	30		FEEDMO
C=CCOCCN[C@@H](C[NH+]1CCC(C(N)=O)CC1)c1ccc(Cl)cc1	ZINC000680349106	672567597	/nfs/dbraw/zinc/56/75/97/672567597.db2.gz	HCUQWHCQYLBYPF-SFHVURJKSA-N	1	1	365.905	2.371	20	30		FEEDMO
N#Cc1cc(Br)cnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000590684570	672601393	/nfs/dbraw/zinc/60/13/93/672601393.db2.gz	UIHWTCZHXSMGAP-CQSZACIVSA-N	1	1	351.248	2.017	20	30		FEEDMO
NC(=[NH+]OCCOCC(F)(F)C(F)(F)F)c1ccc2c(c1)CCO2	ZINC000189328282	672613473	/nfs/dbraw/zinc/61/34/73/672613473.db2.gz	CNHGFUILTQFBLV-UHFFFAOYSA-N	1	1	354.275	2.473	20	30		FEEDMO
C[C@@H](O)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1F	ZINC000592430872	672801742	/nfs/dbraw/zinc/80/17/42/672801742.db2.gz	CGENQARCGJPOFA-FZKQIMNGSA-N	1	1	362.426	2.183	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@H](C)C1	ZINC000612128156	676069896	/nfs/dbraw/zinc/06/98/96/676069896.db2.gz	ZSEMMZPNAIKYMS-ZIFCJYIRSA-N	1	1	350.507	2.459	20	30		FEEDMO
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1CN(C2CC2)C[C@H]1C	ZINC000262005152	672907559	/nfs/dbraw/zinc/90/75/59/672907559.db2.gz	VJYZEACOPUVVNT-MLGOLLRUSA-N	1	1	360.893	2.135	20	30		FEEDMO
C[NH+]=C(NC[C@H]1CCCO1)NCC1(N2CCSCC2)CCCCC1	ZINC000263162705	672929146	/nfs/dbraw/zinc/92/91/46/672929146.db2.gz	YVWDFFKCTCCQBC-MRXNPFEDSA-N	1	1	354.564	2.082	20	30		FEEDMO
COc1cccc([C@@H](CNS(=O)(=O)c2ccsc2C#N)[NH+](C)C)c1	ZINC000593525316	672933353	/nfs/dbraw/zinc/93/33/53/672933353.db2.gz	PSWNQVDCSOXICG-CQSZACIVSA-N	1	1	365.480	2.210	20	30		FEEDMO
CC(C)(CO)[NH+]1CCN(c2cc(Br)c(C#N)cc2F)CC1	ZINC000594556750	673097406	/nfs/dbraw/zinc/09/74/06/673097406.db2.gz	RDVIYZWXVYVGLG-UHFFFAOYSA-N	1	1	356.239	2.353	20	30		FEEDMO
N#Cc1cnc2c(Br)cccc2c1N1CC[N@H+]2C[C@H](O)C[C@H]2C1	ZINC000594603970	673105613	/nfs/dbraw/zinc/10/56/13/673105613.db2.gz	QALYYEAQTWGUPD-QWHCGFSZSA-N	1	1	373.254	2.124	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)C1=O	ZINC000348579702	673116146	/nfs/dbraw/zinc/11/61/46/673116146.db2.gz	YEODMAVQLAZBGQ-DZKIICNBSA-N	1	1	363.483	2.254	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN2CCN(c3ccc(C#N)cc3Cl)CC2)C[C@H](C)O1	ZINC000595465456	673254583	/nfs/dbraw/zinc/25/45/83/673254583.db2.gz	NXPJHPPREHVIKV-IYBDPMFKSA-N	1	1	362.905	2.443	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(Br)ccc1OC	ZINC000730281433	673268693	/nfs/dbraw/zinc/26/86/93/673268693.db2.gz	KLQWCLJGUCJELZ-AWEZNQCLSA-N	1	1	351.244	2.172	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(Br)ccc1OC	ZINC000730281433	673268696	/nfs/dbraw/zinc/26/86/96/673268696.db2.gz	KLQWCLJGUCJELZ-AWEZNQCLSA-N	1	1	351.244	2.172	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](Cn2ccnn2)C1	ZINC000595608822	673273499	/nfs/dbraw/zinc/27/34/99/673273499.db2.gz	XAMKAGZACPDVQI-OLZOCXBDSA-N	1	1	358.833	2.152	20	30		FEEDMO
C[N@H+]1CCC[C@H](CCNC(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000595642983	673277907	/nfs/dbraw/zinc/27/79/07/673277907.db2.gz	DSTVTVMBBSECQE-OAHLLOKOSA-N	1	1	361.515	2.183	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@H]2CS(=O)(=O)NC)cc1Cl	ZINC000536710724	673377887	/nfs/dbraw/zinc/37/78/87/673377887.db2.gz	SGUZDBLDBINUKB-AWEZNQCLSA-N	1	1	358.891	2.418	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)cc1Cl	ZINC000536710724	673377889	/nfs/dbraw/zinc/37/78/89/673377889.db2.gz	SGUZDBLDBINUKB-AWEZNQCLSA-N	1	1	358.891	2.418	20	30		FEEDMO
C=CC[C@H](C)NC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000538057515	673420390	/nfs/dbraw/zinc/42/03/90/673420390.db2.gz	WPPQQFXFIHVTOK-YESZJQIVSA-N	1	1	353.507	2.251	20	30		FEEDMO
C=CC[C@H](C)NC(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000538057515	673420394	/nfs/dbraw/zinc/42/03/94/673420394.db2.gz	WPPQQFXFIHVTOK-YESZJQIVSA-N	1	1	353.507	2.251	20	30		FEEDMO
Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCN(c3ccsc3C#N)CC1)CC2	ZINC000597938898	673521390	/nfs/dbraw/zinc/52/13/90/673521390.db2.gz	HXTGHWRHCKARIR-AWEZNQCLSA-N	1	1	355.467	2.036	20	30		FEEDMO
C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@H](O)CC(C)(C)C#N	ZINC000598588767	673587252	/nfs/dbraw/zinc/58/72/52/673587252.db2.gz	CILUHJRRTHMRGA-OAHLLOKOSA-N	1	1	368.499	2.092	20	30		FEEDMO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1	ZINC000598596476	673587501	/nfs/dbraw/zinc/58/75/01/673587501.db2.gz	SCMJUTNAJRSKNU-KGLIPLIRSA-N	1	1	363.424	2.410	20	30		FEEDMO
C=CCc1cc(OCC)cc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c1O	ZINC000740867101	673658039	/nfs/dbraw/zinc/65/80/39/673658039.db2.gz	MKIUGFRQSVBCFQ-CQSZACIVSA-N	1	1	353.484	2.386	20	30		FEEDMO
CC1(C)CN(CC(F)(F)F)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599354616	673663217	/nfs/dbraw/zinc/66/32/17/673663217.db2.gz	QPLRAVHXEITZNF-AWEZNQCLSA-N	1	1	363.424	2.016	20	30		FEEDMO
CC1(C)CN(CC(F)(F)F)CC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599354616	673663220	/nfs/dbraw/zinc/66/32/20/673663220.db2.gz	QPLRAVHXEITZNF-AWEZNQCLSA-N	1	1	363.424	2.016	20	30		FEEDMO
CO[C@]1(C(F)(F)F)CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000599380450	673667010	/nfs/dbraw/zinc/66/70/10/673667010.db2.gz	VFFSPUZLYYRBOA-GDBMZVCRSA-N	1	1	358.360	2.341	20	30		FEEDMO
CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)[C@@H]1C	ZINC000599445472	673676305	/nfs/dbraw/zinc/67/63/05/673676305.db2.gz	SUBJTUNHJLXYGO-YLFCFFPRSA-N	1	1	352.475	2.110	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)c1ccccc1CC#N)c1ccc(F)cc1	ZINC000601414580	673858427	/nfs/dbraw/zinc/85/84/27/673858427.db2.gz	AYPWMTOJWKCBEX-KRWDZBQOSA-N	1	1	361.442	2.473	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)Cn1cc(C[NH+]2CCCCC2)nn1	ZINC000603163563	673918350	/nfs/dbraw/zinc/91/83/50/673918350.db2.gz	QJPDHZHHLOFIEX-UHFFFAOYSA-N	1	1	358.833	2.428	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCCCNc2ccc(C#N)cc2CS(N)(=O)=O)C1	ZINC000603282053	673921862	/nfs/dbraw/zinc/92/18/62/673921862.db2.gz	BPSWVMKFINPVPE-OAHLLOKOSA-N	1	1	364.515	2.271	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@H](C)Oc1ccc(F)cc1Br	ZINC000818584565	675226194	/nfs/dbraw/zinc/22/61/94/675226194.db2.gz	OZRZXUXZNWNMKU-GFCCVEGCSA-N	1	1	371.250	2.427	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819031991	675254093	/nfs/dbraw/zinc/25/40/93/675254093.db2.gz	BDKFFFCCJBEHOD-GJZGRUSLSA-N	1	1	352.479	2.174	20	30		FEEDMO
C=CC[C@H](CO)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000567298661	675282332	/nfs/dbraw/zinc/28/23/32/675282332.db2.gz	KUFQYHZKGNQIIR-DLBZAZTESA-N	1	1	352.425	2.445	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819575548	675302210	/nfs/dbraw/zinc/30/22/10/675302210.db2.gz	GAVCXLFHTPBKEF-GJZGRUSLSA-N	1	1	352.479	2.126	20	30		FEEDMO
C[C@@H](SC[C@H]1C[N@H+](C)CCO1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000567849097	675328946	/nfs/dbraw/zinc/32/89/46/675328946.db2.gz	LWDNKXLGXYEZMO-VXGBXAGGSA-N	1	1	365.524	2.499	20	30		FEEDMO
C[C@@H](SC[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000567849097	675328947	/nfs/dbraw/zinc/32/89/47/675328947.db2.gz	LWDNKXLGXYEZMO-VXGBXAGGSA-N	1	1	365.524	2.499	20	30		FEEDMO
C=C(C)Cn1c(CC(F)(F)F)nnc1N1CC[NH+](CCOCC)CC1	ZINC000567855268	675329516	/nfs/dbraw/zinc/32/95/16/675329516.db2.gz	IXMAPJXMACDSTJ-UHFFFAOYSA-N	1	1	361.412	2.118	20	30		FEEDMO
C#C[C@@H](NC(=O)N1CCC[N@H+](C)CC1)c1ccc(Br)cc1	ZINC000820625436	675375193	/nfs/dbraw/zinc/37/51/93/675375193.db2.gz	IPIVOMADUKAGBQ-OAHLLOKOSA-N	1	1	350.260	2.471	20	30		FEEDMO
C=CC[N@@H+](CC1(CNC(=O)OC(C)(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000820855986	675394329	/nfs/dbraw/zinc/39/43/29/675394329.db2.gz	HPZJZPSPKSHSJQ-OAHLLOKOSA-N	1	1	372.531	2.357	20	30		FEEDMO
C=CC[N@H+](CC1(CNC(=O)OC(C)(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000820855986	675394330	/nfs/dbraw/zinc/39/43/30/675394330.db2.gz	HPZJZPSPKSHSJQ-OAHLLOKOSA-N	1	1	372.531	2.357	20	30		FEEDMO
C#CCN(CC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)C(=O)OC(C)(C)C	ZINC000822059230	675467910	/nfs/dbraw/zinc/46/79/10/675467910.db2.gz	PSXWZDSSISZFHZ-JKSUJKDBSA-N	1	1	351.491	2.093	20	30		FEEDMO
C=CC1(CC(=O)N[C@H]2CC[N@H+](CCC)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000825625570	675661675	/nfs/dbraw/zinc/66/16/75/675661675.db2.gz	NJAUAFKMXZBPJA-HNNXBMFYSA-N	1	1	351.491	2.400	20	30		FEEDMO
C#CCN(CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)C(=O)OC(C)(C)C	ZINC000828830508	675847295	/nfs/dbraw/zinc/84/72/95/675847295.db2.gz	QJIYUTFEWWWVGQ-MRXNPFEDSA-N	1	1	351.491	2.190	20	30		FEEDMO
C#CCN(CC(=O)N1CC[C@H](C[N@H+](C)CCC)C1)C(=O)OC(C)(C)C	ZINC000829176351	675868423	/nfs/dbraw/zinc/86/84/23/675868423.db2.gz	SJNQFWTZOXYNQM-MRXNPFEDSA-N	1	1	351.491	2.047	20	30		FEEDMO
CC1(C)CN(Cc2cc(C#N)ccc2Br)CC[N@H+]1CCO	ZINC000617225268	676275509	/nfs/dbraw/zinc/27/55/09/676275509.db2.gz	QQLARJKOEKKXRY-UHFFFAOYSA-N	1	1	352.276	2.209	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@](F)(CO)C3)sc2C1	ZINC000619815819	676396007	/nfs/dbraw/zinc/39/60/07/676396007.db2.gz	JOBSADBUUQDNDR-SGTLLEGYSA-N	1	1	365.474	2.479	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@](F)(CO)C3)sc2C1	ZINC000619815819	676396011	/nfs/dbraw/zinc/39/60/11/676396011.db2.gz	JOBSADBUUQDNDR-SGTLLEGYSA-N	1	1	365.474	2.479	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@](F)(CO)C2)sc2c1CCCC2	ZINC000619815942	676396115	/nfs/dbraw/zinc/39/61/15/676396115.db2.gz	XEZDMNNXSMAUQP-QGZVFWFLSA-N	1	1	351.447	2.233	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@](F)(CO)C2)sc2c1CCCC2	ZINC000619815942	676396117	/nfs/dbraw/zinc/39/61/17/676396117.db2.gz	XEZDMNNXSMAUQP-QGZVFWFLSA-N	1	1	351.447	2.233	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[NH2+][C@H](CO)c2cnn(C)c2)cc1OC	ZINC000623474583	676536868	/nfs/dbraw/zinc/53/68/68/676536868.db2.gz	HIANICNSCFEZBG-OAHLLOKOSA-N	1	1	351.834	2.470	20	30		FEEDMO
C[NH+]1CCN(c2nc3ccc(NC(=O)CSCC#N)cc3s2)CC1	ZINC000830258307	677032456	/nfs/dbraw/zinc/03/24/56/677032456.db2.gz	TUYCONSSGRVUTN-UHFFFAOYSA-N	1	1	361.496	2.243	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CC)[C@H](O)c1c(F)cccc1F	ZINC000838622840	680706603	/nfs/dbraw/zinc/70/66/03/680706603.db2.gz	PYGDECBETDCRGF-RDJZCZTQSA-N	1	1	353.413	2.031	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Nc1cc(Cl)ccc1N1CCOCC1	ZINC000838624286	680706720	/nfs/dbraw/zinc/70/67/20/680706720.db2.gz	PYHAJBDXTJIFMS-UHFFFAOYSA-N	1	1	364.877	2.253	20	30		FEEDMO
C=CCOCCCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1	ZINC000658621038	678107777	/nfs/dbraw/zinc/10/77/77/678107777.db2.gz	ZHUFUGKXTMJBNI-UHFFFAOYSA-N	1	1	353.850	2.049	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@](CO)(OC)C1	ZINC000661392682	678475587	/nfs/dbraw/zinc/47/55/87/678475587.db2.gz	XLHJTXUMZONNAL-YJBOKZPZSA-N	1	1	352.500	2.125	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2CN(Cc3ccc(C#N)s3)CC2(C)C)CC[N@H+]1C	ZINC000974604059	679962735	/nfs/dbraw/zinc/96/27/35/679962735.db2.gz	DLPGZRYRNCIZJS-XYPHTWIQSA-N	1	1	360.527	2.287	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCOCC2)C1	ZINC001008842891	679967539	/nfs/dbraw/zinc/96/75/39/679967539.db2.gz	AUIKVKNDRRNMEN-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2ccnc(F)c2)CC1	ZINC000831442442	679982883	/nfs/dbraw/zinc/98/28/83/679982883.db2.gz	NNVDLJCJGFLWAZ-UHFFFAOYSA-N	1	1	359.430	2.305	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1	ZINC001011184962	680019175	/nfs/dbraw/zinc/01/91/75/680019175.db2.gz	CBKZFIBZRNRLFW-LSDHHAIUSA-N	1	1	355.910	2.166	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](CCC2CCOCC2)CC1	ZINC000981190132	680219861	/nfs/dbraw/zinc/21/98/61/680219861.db2.gz	RISJAOQPGBEHLA-MOPGFXCFSA-N	1	1	350.503	2.319	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCC3(CN(C(=O)[C@]45C[C@H]4COC5)C3)C2)s1	ZINC000981778567	680251283	/nfs/dbraw/zinc/25/12/83/680251283.db2.gz	NLJTYMXMUADWJY-LIRRHRJNSA-N	1	1	357.479	2.081	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCc2csc(C)n2)C1	ZINC001023599597	680265108	/nfs/dbraw/zinc/26/51/08/680265108.db2.gz	ORSLJZKDJJRXKF-JQHSSLGASA-N	1	1	363.527	2.413	20	30		FEEDMO
COc1cc(Br)cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c1O	ZINC000753935782	680325198	/nfs/dbraw/zinc/32/51/98/680325198.db2.gz	PRHMTHOUHSFCGH-RYUDHWBXSA-N	1	1	367.247	2.357	20	30		FEEDMO
Brc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc2c1OCO2	ZINC000753937794	680325203	/nfs/dbraw/zinc/32/52/03/680325203.db2.gz	ZZXJGTGGQVOUMN-TXEJJXNPSA-N	1	1	365.231	2.372	20	30		FEEDMO
COc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c(Br)cc1O	ZINC000753933881	680325311	/nfs/dbraw/zinc/32/53/11/680325311.db2.gz	DLXZRYWKKMDMHV-VXGBXAGGSA-N	1	1	367.247	2.357	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](Cc2cnns2)CC1	ZINC000997348064	680352887	/nfs/dbraw/zinc/35/28/87/680352887.db2.gz	IDALOOXXPLSVEP-COXVUDFISA-N	1	1	364.515	2.236	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCOCC2)C1	ZINC001028548795	680374664	/nfs/dbraw/zinc/37/46/64/680374664.db2.gz	HIVSTASWJKKIDC-OTWHNJEPSA-N	1	1	350.503	2.222	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1	ZINC001028809143	680382905	/nfs/dbraw/zinc/38/29/05/680382905.db2.gz	KQYLNFRDPZIXCI-QBIMZIAESA-N	1	1	350.409	2.494	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1csc(C)n1	ZINC001029481078	680389538	/nfs/dbraw/zinc/38/95/38/680389538.db2.gz	XZCGFRJGLILYAM-XDNAFOTISA-N	1	1	361.511	2.260	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1csc(C)n1	ZINC001029481078	680389540	/nfs/dbraw/zinc/38/95/40/680389540.db2.gz	XZCGFRJGLILYAM-XDNAFOTISA-N	1	1	361.511	2.260	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2cnns2)CC1	ZINC001029966132	680394824	/nfs/dbraw/zinc/39/48/24/680394824.db2.gz	MQRLVCKUVDEYGJ-SJORKVTESA-N	1	1	364.515	2.190	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2cnns2)CC1	ZINC001029966132	680394826	/nfs/dbraw/zinc/39/48/26/680394826.db2.gz	MQRLVCKUVDEYGJ-SJORKVTESA-N	1	1	364.515	2.190	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(CC)s2)C1	ZINC000999194206	680398591	/nfs/dbraw/zinc/39/85/91/680398591.db2.gz	MSJMFTLITPGRFN-ZNMIVQPWSA-N	1	1	364.515	2.162	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NCC2CN(CC#Cc3cccc(Cl)c3)C2)CC[N@H+]1C	ZINC001031682839	680406640	/nfs/dbraw/zinc/40/66/40/680406640.db2.gz	XBPNZWHTAACIGQ-DNVCBOLYSA-N	1	1	359.901	2.080	20	30		FEEDMO
C[NH+]1CCN(c2ncc(C=[NH+][N-]c3cc(F)c(F)c(F)c3)cn2)CC1	ZINC000755756222	680433954	/nfs/dbraw/zinc/43/39/54/680433954.db2.gz	TXGUCBQWFJXXGP-UHFFFAOYSA-N	1	1	350.348	2.092	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC[N@H+](C[C@H](CC)OC)C2)CC1	ZINC001035230997	680444665	/nfs/dbraw/zinc/44/46/65/680444665.db2.gz	UAUYUEZHICVBII-KSZLIROESA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCCC2)CCO1	ZINC001035539964	680450024	/nfs/dbraw/zinc/45/00/24/680450024.db2.gz	SCZUZUDGQGHDFW-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](CC)OC	ZINC001039593146	680464221	/nfs/dbraw/zinc/46/42/21/680464221.db2.gz	IKBRYVOVBJFZKJ-ZRSRNVLSSA-N	1	1	350.503	2.458	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1Cc2cccc(Br)c2C1	ZINC000836490290	680476641	/nfs/dbraw/zinc/47/66/41/680476641.db2.gz	SCPQHTJPUJVIFE-UHFFFAOYSA-N	1	1	350.260	2.429	20	30		FEEDMO
C#CC[N@@H+](CC1(CO)COC1)[C@H]1CCOc2ccc(Br)cc21	ZINC000756883998	680503034	/nfs/dbraw/zinc/50/30/34/680503034.db2.gz	BJVRVJHNJGRCJT-HNNXBMFYSA-N	1	1	366.255	2.217	20	30		FEEDMO
C#CC[N@H+](CC1(CO)COC1)[C@H]1CCOc2ccc(Br)cc21	ZINC000756883998	680503040	/nfs/dbraw/zinc/50/30/40/680503040.db2.gz	BJVRVJHNJGRCJT-HNNXBMFYSA-N	1	1	366.255	2.217	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C#Cc1ccc2c(c1)OCO2)CCC(F)(F)F	ZINC000757619530	680528805	/nfs/dbraw/zinc/52/88/05/680528805.db2.gz	XQMNEEVBWINIKH-UHFFFAOYSA-N	1	1	356.344	2.157	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H](O)C2CCCCC2)C1	ZINC001042742062	680541016	/nfs/dbraw/zinc/54/10/16/680541016.db2.gz	BAHXQGRNJBGCKJ-QYZOEREBSA-N	1	1	350.503	2.051	20	30		FEEDMO
C[N@H+]1CCCC(N=Nc2ccc(S(=O)(=O)NC3CCCC3)cn2)CC1	ZINC000758107360	680555974	/nfs/dbraw/zinc/55/59/74/680555974.db2.gz	NDQSFUDZTYAVGW-UHFFFAOYSA-N	1	1	365.503	2.186	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1csc(Cl)n1	ZINC001045208522	680624700	/nfs/dbraw/zinc/62/47/00/680624700.db2.gz	GLENCPYWOOYKEN-MJBXVCDLSA-N	1	1	355.891	2.468	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccns1	ZINC001045851044	680641480	/nfs/dbraw/zinc/64/14/80/680641480.db2.gz	OEVGADBSRQEJPJ-ATLSCFEFSA-N	1	1	361.511	2.342	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2c(C)nn(C)c2Cl)C1	ZINC001046632101	680651710	/nfs/dbraw/zinc/65/17/10/680651710.db2.gz	RMEWUJAXXZCCHY-QIIPPGSGSA-N	1	1	366.893	2.054	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2c(C)nn(C)c2Cl)C1	ZINC001046632101	680651713	/nfs/dbraw/zinc/65/17/13/680651713.db2.gz	RMEWUJAXXZCCHY-QIIPPGSGSA-N	1	1	366.893	2.054	20	30		FEEDMO
C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1	ZINC001046956574	680654246	/nfs/dbraw/zinc/65/42/46/680654246.db2.gz	ZJBMPKRUYZCKSF-IXDOHACOSA-N	1	1	354.441	2.146	20	30		FEEDMO
C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1	ZINC001046976986	680655747	/nfs/dbraw/zinc/65/57/47/680655747.db2.gz	IGPTXEPWRCMVBG-HRCADAONSA-N	1	1	352.429	2.173	20	30		FEEDMO
CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1	ZINC001047503146	680664666	/nfs/dbraw/zinc/66/46/66/680664666.db2.gz	WPWPCMDJOKJQRN-MQYQWHSLSA-N	1	1	352.887	2.032	20	30		FEEDMO
CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1	ZINC001047503146	680664670	/nfs/dbraw/zinc/66/46/70/680664670.db2.gz	WPWPCMDJOKJQRN-MQYQWHSLSA-N	1	1	352.887	2.032	20	30		FEEDMO
CSCCNC(=S)NN=C1CC[N@@H+](Cc2ccccn2)C[C@@H]1C	ZINC000769604273	680988696	/nfs/dbraw/zinc/98/86/96/680988696.db2.gz	HRHOFIRQPVMNBZ-ZDUSSCGKSA-N	1	1	351.545	2.107	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCc1ccns1	ZINC001049732656	681038008	/nfs/dbraw/zinc/03/80/08/681038008.db2.gz	PJSIOHCRDCGQQS-OWSLCNJRSA-N	1	1	361.511	2.342	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C	ZINC001052393812	681076919	/nfs/dbraw/zinc/07/69/19/681076919.db2.gz	RDWCMBQQDUEVHG-RVKKMQEKSA-N	1	1	360.527	2.431	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(Cc3ccc(C#N)s3)CC2)CC[N@H+]1C	ZINC001052393812	681076920	/nfs/dbraw/zinc/07/69/20/681076920.db2.gz	RDWCMBQQDUEVHG-RVKKMQEKSA-N	1	1	360.527	2.431	20	30		FEEDMO
C=C(Cl)CN1Cc2ccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)cc2C1	ZINC001054269446	681106539	/nfs/dbraw/zinc/10/65/39/681106539.db2.gz	BBUJTZTXYWHIKQ-RDTXWAMCSA-N	1	1	363.889	2.090	20	30		FEEDMO
C=C(Cl)CN1Cc2ccc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)cc2C1	ZINC001054269446	681106540	/nfs/dbraw/zinc/10/65/40/681106540.db2.gz	BBUJTZTXYWHIKQ-RDTXWAMCSA-N	1	1	363.889	2.090	20	30		FEEDMO
Cc1nsc(NC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C)c1C#N	ZINC001054569074	681113227	/nfs/dbraw/zinc/11/32/27/681113227.db2.gz	AZUWWLJPEXOGGK-GZBFAFLISA-N	1	1	361.515	2.171	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](Nc3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001057771173	681164167	/nfs/dbraw/zinc/16/41/67/681164167.db2.gz	WJRXEEWFCCJYFU-IJLUTSLNSA-N	1	1	367.906	2.411	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1nc2ccc(OCC)cc2s1)[C@@H]1CCCO1	ZINC000775788616	681335244	/nfs/dbraw/zinc/33/52/44/681335244.db2.gz	ICUSUERULZEWLG-ZFWWWQNUSA-N	1	1	359.451	2.404	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1C)[C@@H]1CCCO1	ZINC000775804552	681336694	/nfs/dbraw/zinc/33/66/94/681336694.db2.gz	ANPSTKOQPNZCHZ-ZFWWWQNUSA-N	1	1	351.244	2.466	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H]1CCCO1	ZINC000775806894	681337171	/nfs/dbraw/zinc/33/71/71/681337171.db2.gz	OKGHANXZZJTRGB-TZMCWYRMSA-N	1	1	352.818	2.066	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)C[C@]2(C)C1	ZINC000933735041	681459523	/nfs/dbraw/zinc/45/95/23/681459523.db2.gz	IWRCCCWPIVDPNJ-LPMFXHHGSA-N	1	1	354.479	2.356	20	30		FEEDMO
C=CC1(CC(=O)NCC[N@@H+]2CC[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000933929610	681486229	/nfs/dbraw/zinc/48/62/29/681486229.db2.gz	PPEZXTZLQLYACS-OAHLLOKOSA-N	1	1	351.491	2.258	20	30		FEEDMO
C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000934472590	681575614	/nfs/dbraw/zinc/57/56/14/681575614.db2.gz	OJBIQAYIPKLSKH-MNOVXSKESA-N	1	1	355.360	2.198	20	30		FEEDMO
C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000934472590	681575616	/nfs/dbraw/zinc/57/56/16/681575616.db2.gz	OJBIQAYIPKLSKH-MNOVXSKESA-N	1	1	355.360	2.198	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](Cc2cnns2)CC1	ZINC000948386385	681577230	/nfs/dbraw/zinc/57/72/30/681577230.db2.gz	WCCGGPDGFVOFQO-UAGQMJEPSA-N	1	1	364.515	2.332	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2cnns2)CC1	ZINC000948386385	681577237	/nfs/dbraw/zinc/57/72/37/681577237.db2.gz	WCCGGPDGFVOFQO-UAGQMJEPSA-N	1	1	364.515	2.332	20	30		FEEDMO
C=C(Cl)CN1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CCO2	ZINC000949098732	681617452	/nfs/dbraw/zinc/61/74/52/681617452.db2.gz	BJPSQVFHJVFOGE-DLBZAZTESA-N	1	1	369.937	2.163	20	30		FEEDMO
C[N@H+]1CCC[C@](O)(CC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1	ZINC000913782039	685485117	/nfs/dbraw/zinc/48/51/17/685485117.db2.gz	IRNTUYGWPKBPEN-CVEARBPZSA-N	1	1	355.360	2.125	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3c(C)nsc3C)C[C@H]21	ZINC000959945456	682012641	/nfs/dbraw/zinc/01/26/41/682012641.db2.gz	KPSDEVXXJSRKRQ-MWIANEHASA-N	1	1	361.511	2.288	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)sc3C)C[C@H]21	ZINC000959948442	682013092	/nfs/dbraw/zinc/01/30/92/682013092.db2.gz	UDMKWLAAUQWZBI-YONAWACDSA-N	1	1	361.511	2.288	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)sc3C)C[C@H]21	ZINC000959948442	682013097	/nfs/dbraw/zinc/01/30/97/682013097.db2.gz	UDMKWLAAUQWZBI-YONAWACDSA-N	1	1	361.511	2.288	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccc(C#N)s2)CC[N@@H+]1C	ZINC000960641891	682055056	/nfs/dbraw/zinc/05/50/56/682055056.db2.gz	NRBBFKNLDSIMSE-RVKKMQEKSA-N	1	1	360.527	2.383	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccc(C#N)s2)CC[N@H+]1C	ZINC000960641891	682055062	/nfs/dbraw/zinc/05/50/62/682055062.db2.gz	NRBBFKNLDSIMSE-RVKKMQEKSA-N	1	1	360.527	2.383	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(F)c(Cl)c1	ZINC000915941929	685519816	/nfs/dbraw/zinc/51/98/16/685519816.db2.gz	FBMSMEVFBRRQIB-UHFFFAOYSA-N	1	1	372.897	2.390	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnsn1)C2	ZINC000963816267	682147426	/nfs/dbraw/zinc/14/74/26/682147426.db2.gz	VENXIJKZECZJED-WKGBCYBTSA-N	1	1	362.499	2.036	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl	ZINC000783535376	682150973	/nfs/dbraw/zinc/15/09/73/682150973.db2.gz	DSOFLXUOKKQPNF-LBPRGKRZSA-N	1	1	354.863	2.172	20	30		FEEDMO
COC(=O)N(C)CC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000852569551	682300523	/nfs/dbraw/zinc/30/05/23/682300523.db2.gz	FPPBWZOVZCYBDU-UHFFFAOYSA-N	1	1	364.471	2.067	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@@H+]2CCn3ncc(Br)c3C2)c1	ZINC000852626319	682309787	/nfs/dbraw/zinc/30/97/87/682309787.db2.gz	HGCYZVPNZSFKRI-UHFFFAOYSA-N	1	1	374.242	2.362	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCn3ncc(Br)c3C2)c1	ZINC000852626319	682309789	/nfs/dbraw/zinc/30/97/89/682309789.db2.gz	HGCYZVPNZSFKRI-UHFFFAOYSA-N	1	1	374.242	2.362	20	30		FEEDMO
C#CCNC(=O)c1cccc(-c2noc(C[N@@H+](C)[C@H]3CCSC3)n2)c1	ZINC000785585168	682310976	/nfs/dbraw/zinc/31/09/76/682310976.db2.gz	FXPPVSSUQJVNHR-HNNXBMFYSA-N	1	1	356.451	2.037	20	30		FEEDMO
C#CCNC(=O)c1cccc(-c2noc(C[N@H+](C)[C@H]3CCSC3)n2)c1	ZINC000785585168	682310982	/nfs/dbraw/zinc/31/09/82/682310982.db2.gz	FXPPVSSUQJVNHR-HNNXBMFYSA-N	1	1	356.451	2.037	20	30		FEEDMO
C#CCC[N@@H+](CCOC)CC(=O)Nc1cc(Cl)c(OC)cc1OC	ZINC000852751975	682335184	/nfs/dbraw/zinc/33/51/84/682335184.db2.gz	KZXGJVFOVMBHQH-UHFFFAOYSA-N	1	1	354.834	2.267	20	30		FEEDMO
C#CCC[N@H+](CCOC)CC(=O)Nc1cc(Cl)c(OC)cc1OC	ZINC000852751975	682335189	/nfs/dbraw/zinc/33/51/89/682335189.db2.gz	KZXGJVFOVMBHQH-UHFFFAOYSA-N	1	1	354.834	2.267	20	30		FEEDMO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1	ZINC000853347166	682407293	/nfs/dbraw/zinc/40/72/93/682407293.db2.gz	FWZZRKASDOYUSR-JKSUJKDBSA-N	1	1	351.491	2.093	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1	ZINC000972738716	682432672	/nfs/dbraw/zinc/43/26/72/682432672.db2.gz	FRZWUISAXMYQHP-GDBMZVCRSA-N	1	1	367.921	2.309	20	30		FEEDMO
C[C@@H](C[N@H+](C)CCCN(C)C)Nc1cc(Br)cnc1C#N	ZINC000853774930	682467436	/nfs/dbraw/zinc/46/74/36/682467436.db2.gz	ZLDWPFBOZRMAGT-LBPRGKRZSA-N	1	1	354.296	2.400	20	30		FEEDMO
C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1cc(Br)cnc1C#N	ZINC000853774930	682467437	/nfs/dbraw/zinc/46/74/37/682467437.db2.gz	ZLDWPFBOZRMAGT-LBPRGKRZSA-N	1	1	354.296	2.400	20	30		FEEDMO
C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(Br)cnc1C#N	ZINC000853774930	682467431	/nfs/dbraw/zinc/46/74/31/682467431.db2.gz	ZLDWPFBOZRMAGT-LBPRGKRZSA-N	1	1	354.296	2.400	20	30		FEEDMO
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(Br)cnc1C#N	ZINC000853774930	682467433	/nfs/dbraw/zinc/46/74/33/682467433.db2.gz	ZLDWPFBOZRMAGT-LBPRGKRZSA-N	1	1	354.296	2.400	20	30		FEEDMO
C(=[NH+]N[C@H]1CCOC1)c1sc(N2CCOCC2)nc1-c1ccccc1	ZINC000788440482	682530313	/nfs/dbraw/zinc/53/03/13/682530313.db2.gz	URBYIBXVLGPYJL-HNNXBMFYSA-N	1	1	358.467	2.359	20	30		FEEDMO
C#CCNC(=O)C[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1	ZINC000859441230	683110564	/nfs/dbraw/zinc/11/05/64/683110564.db2.gz	JUVSPIGGPBDLHH-CQSZACIVSA-N	1	1	353.285	2.365	20	30		FEEDMO
C#CCNC(=O)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1	ZINC000859441230	683110568	/nfs/dbraw/zinc/11/05/68/683110568.db2.gz	JUVSPIGGPBDLHH-CQSZACIVSA-N	1	1	353.285	2.365	20	30		FEEDMO
C=C[C@H](C(=O)OC)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C	ZINC000860040318	683192396	/nfs/dbraw/zinc/19/23/96/683192396.db2.gz	NGBBAOUDKWQHBB-GCSSGZNBSA-N	1	1	350.459	2.291	20	30		FEEDMO
C=C[C@H](C(=O)OC)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C	ZINC000860040318	683192397	/nfs/dbraw/zinc/19/23/97/683192397.db2.gz	NGBBAOUDKWQHBB-GCSSGZNBSA-N	1	1	350.459	2.291	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000798956581	683408107	/nfs/dbraw/zinc/40/81/07/683408107.db2.gz	DTBBUXFWLBOCET-CVEARBPZSA-N	1	1	351.491	2.352	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C)[C@H]2CNC(=O)OC(C)(C)C)C1=O	ZINC000799124919	683425285	/nfs/dbraw/zinc/42/52/85/683425285.db2.gz	BFQBRNKIJFDBSS-OWCLPIDISA-N	1	1	351.491	2.399	20	30		FEEDMO
C(=NNCCC[NH+]1CCOCC1)c1csc(COc2ccccc2)n1	ZINC000799488928	683460359	/nfs/dbraw/zinc/46/03/59/683460359.db2.gz	LIQGAFGOTVLKJK-UHFFFAOYSA-N	1	1	360.483	2.368	20	30		FEEDMO
C[C@@H](CNCc1cc(C#N)ccc1Br)C[NH+]1CCN(C)CC1	ZINC000921686462	683543078	/nfs/dbraw/zinc/54/30/78/683543078.db2.gz	SOINUUFTFDNIMY-AWEZNQCLSA-N	1	1	365.319	2.294	20	30		FEEDMO
Cc1ccc(NCCNS(=O)(=O)Cc2c(C)cc(C#N)cc2C)[nH+]c1	ZINC000921873139	683601172	/nfs/dbraw/zinc/60/11/72/683601172.db2.gz	OMOIQFCKBDDXDE-UHFFFAOYSA-N	1	1	358.467	2.410	20	30		FEEDMO
C[C@@H](CC[NH+]1CCN(C)CC1)NCc1cc(C#N)ccc1Br	ZINC000922011545	683636579	/nfs/dbraw/zinc/63/65/79/683636579.db2.gz	KAGDWVZCNGMDPE-AWEZNQCLSA-N	1	1	365.319	2.436	20	30		FEEDMO
C#CC[C@@H](CCOC)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F	ZINC000863390405	683714032	/nfs/dbraw/zinc/71/40/32/683714032.db2.gz	JSPCVPXXHAYMKD-SMDDNHRTSA-N	1	1	357.223	2.133	20	30		FEEDMO
CN(CC[N@@H+](C)CC1CCC(C#N)CC1)c1ccc(S(N)(=O)=O)cc1	ZINC000930608031	683759659	/nfs/dbraw/zinc/75/96/59/683759659.db2.gz	LWVBRVLDJPTICI-UHFFFAOYSA-N	1	1	364.515	2.032	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@H]1C[N@H+](C[C@H](O)CC#N)CC[C@H]1C(F)(F)F	ZINC000931177189	683847034	/nfs/dbraw/zinc/84/70/34/683847034.db2.gz	VCHBAWJFIBAWDQ-YNEHKIRRSA-N	1	1	365.396	2.286	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](C[C@H](O)CC#N)CC[C@H]1C(F)(F)F	ZINC000931177189	683847041	/nfs/dbraw/zinc/84/70/41/683847041.db2.gz	VCHBAWJFIBAWDQ-YNEHKIRRSA-N	1	1	365.396	2.286	20	30		FEEDMO
C=C(Cl)C[C@@H]1NC(=O)N(Cc2cccc(C[NH+]3CCOCC3)c2)C1=O	ZINC000865299163	683963497	/nfs/dbraw/zinc/96/34/97/683963497.db2.gz	TVAWOBIOTLUCGF-INIZCTEOSA-N	1	1	363.845	2.082	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)C1	ZINC000923585103	684308802	/nfs/dbraw/zinc/30/88/02/684308802.db2.gz	KCCDNEMOXDYIRW-PBHICJAKSA-N	1	1	359.495	2.339	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)C1	ZINC000923585103	684308808	/nfs/dbraw/zinc/30/88/08/684308808.db2.gz	KCCDNEMOXDYIRW-PBHICJAKSA-N	1	1	359.495	2.339	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)C2(C(=O)OC(C)(C)C)CCSCC2)C1	ZINC000923595957	684311139	/nfs/dbraw/zinc/31/11/39/684311139.db2.gz	YAOUWFBHLAXISA-OAHLLOKOSA-N	1	1	366.527	2.055	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C(=O)OC(C)(C)C)CCSCC2)C1	ZINC000923595957	684311144	/nfs/dbraw/zinc/31/11/44/684311144.db2.gz	YAOUWFBHLAXISA-OAHLLOKOSA-N	1	1	366.527	2.055	20	30		FEEDMO
C=CC1(CC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CN(C(=O)OC(C)(C)C)C1	ZINC000931778728	684346791	/nfs/dbraw/zinc/34/67/91/684346791.db2.gz	KVQWDMOZMNJRGY-CQSZACIVSA-N	1	1	351.491	2.399	20	30		FEEDMO
C=CC1(CC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CN(C(=O)OC(C)(C)C)C1	ZINC000931778727	684346965	/nfs/dbraw/zinc/34/69/65/684346965.db2.gz	KVQWDMOZMNJRGY-AWEZNQCLSA-N	1	1	351.491	2.399	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000872661966	684999760	/nfs/dbraw/zinc/99/97/60/684999760.db2.gz	BAKAUZLFEMLOQH-ZIAGYGMSSA-N	1	1	373.400	2.434	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1	ZINC000876711289	686250416	/nfs/dbraw/zinc/25/04/16/686250416.db2.gz	WABNLDLVSGBMID-CVEARBPZSA-N	1	1	351.878	2.418	20	30		FEEDMO
CN(CC[NH2+]Cc1cc(C#N)cnc1Cl)S(=O)(=O)c1cccs1	ZINC000877115261	686327046	/nfs/dbraw/zinc/32/70/46/686327046.db2.gz	JJPVGXCREZWZTM-UHFFFAOYSA-N	1	1	370.887	2.078	20	30		FEEDMO
COC(=O)C1(C#N)CC[NH+](CC(C)(C)CNC(=O)OC(C)(C)C)CC1	ZINC000877566783	686410257	/nfs/dbraw/zinc/41/02/57/686410257.db2.gz	PDQKGKAQCUJNDK-UHFFFAOYSA-N	1	1	353.463	2.316	20	30		FEEDMO
C[C@H]1C[N@H+](CCOCCC#N)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1	ZINC000880219436	687017910	/nfs/dbraw/zinc/01/79/10/687017910.db2.gz	NNYURPJSZUQQPL-MAUKXSAKSA-N	1	1	353.463	2.017	20	30		FEEDMO
C[C@H]1C[N@@H+](CCOCCC#N)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1	ZINC000880219436	687017915	/nfs/dbraw/zinc/01/79/15/687017915.db2.gz	NNYURPJSZUQQPL-MAUKXSAKSA-N	1	1	353.463	2.017	20	30		FEEDMO
CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000880301674	687029545	/nfs/dbraw/zinc/02/95/45/687029545.db2.gz	WPYVZSAQSWVICQ-GOEBONIOSA-N	1	1	358.360	2.146	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)C1	ZINC000884256222	687830669	/nfs/dbraw/zinc/83/06/69/687830669.db2.gz	WFHBGENCBQHGOE-WMLDXEAASA-N	1	1	351.397	2.049	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](COC)c2ccc(F)c(F)c2)C1	ZINC000884256222	687830676	/nfs/dbraw/zinc/83/06/76/687830676.db2.gz	WFHBGENCBQHGOE-WMLDXEAASA-N	1	1	351.397	2.049	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C(F)(F)F	ZINC000884957414	687974909	/nfs/dbraw/zinc/97/49/09/687974909.db2.gz	PXNFSOQLJDTRKR-CHWSQXEVSA-N	1	1	373.400	2.482	20	30		FEEDMO
C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1	ZINC000888265372	688574615	/nfs/dbraw/zinc/57/46/15/688574615.db2.gz	MCNGPBFUXKKWAP-GJZGRUSLSA-N	1	1	365.499	2.162	20	30		FEEDMO
COCC(C)(C)[NH+]1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1	ZINC000888424430	688609967	/nfs/dbraw/zinc/60/99/67/688609967.db2.gz	SQDOALVQDRIBNF-UHFFFAOYSA-N	1	1	357.867	2.243	20	30		FEEDMO
C#C[C@@H](NC(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccc(Cl)cc1F	ZINC000895693422	689755938	/nfs/dbraw/zinc/75/59/38/689755938.db2.gz	ZISSLTBPSSZUPX-QGZVFWFLSA-N	1	1	366.868	2.042	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1OC	ZINC000897052060	689968237	/nfs/dbraw/zinc/96/82/37/689968237.db2.gz	HBVVEVPNHDBLFF-LBPRGKRZSA-N	1	1	374.890	2.024	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1OC	ZINC000897052060	689968242	/nfs/dbraw/zinc/96/82/42/689968242.db2.gz	HBVVEVPNHDBLFF-LBPRGKRZSA-N	1	1	374.890	2.024	20	30		FEEDMO
N#Cc1cc(F)c(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Br	ZINC000897218492	689989540	/nfs/dbraw/zinc/98/95/40/689989540.db2.gz	DICAWGLXNVRFFC-GJZGRUSLSA-N	1	1	368.250	2.495	20	30		FEEDMO
N#Cc1ccc(NC(=S)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1Cl	ZINC000899663763	690401626	/nfs/dbraw/zinc/40/16/26/690401626.db2.gz	GCOSOXJMTVHSSY-JKSUJKDBSA-N	1	1	364.902	2.439	20	30		FEEDMO
C[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000903031689	690835473	/nfs/dbraw/zinc/83/54/73/690835473.db2.gz	NIKYVHORVSKAJI-OAHLLOKOSA-N	1	1	363.483	2.052	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH2+]Cc2nc(C#N)cs2)CC1	ZINC000905654905	691156898	/nfs/dbraw/zinc/15/68/98/691156898.db2.gz	IPJCUQNNAWPBPP-QGZVFWFLSA-N	1	1	366.487	2.256	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC[N@H+]1C	ZINC000906988024	691361750	/nfs/dbraw/zinc/36/17/50/691361750.db2.gz	OUOPSLGJEVVOHX-CMPLNLGQSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(C#N)sc4ccccc43)C[C@@H]2C1	ZINC000907262164	691435186	/nfs/dbraw/zinc/43/51/86/691435186.db2.gz	MUOUXXKYCZEHOD-OLZOCXBDSA-N	1	1	361.492	2.345	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(C#N)sc4ccccc43)CC[C@@H]21	ZINC000907319494	691451545	/nfs/dbraw/zinc/45/15/45/691451545.db2.gz	ZPRHJAPKZJIUAQ-OCCSQVGLSA-N	1	1	361.492	2.488	20	30		FEEDMO
C=CCn1c(-c2cnsn2)nnc1N1CC[NH+](Cc2cccs2)CC1	ZINC000908714621	691717544	/nfs/dbraw/zinc/71/75/44/691717544.db2.gz	MNEFDKOPAAOSCR-UHFFFAOYSA-N	1	1	373.511	2.366	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@@H]21	ZINC001164668051	719396965	/nfs/dbraw/zinc/39/69/65/719396965.db2.gz	PTBRLYDUCJUUOZ-DLBZAZTESA-N	1	1	373.819	2.327	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@H]21	ZINC001164668957	719479855	/nfs/dbraw/zinc/47/98/55/719479855.db2.gz	RUBVNNYFOPXPDX-CVEARBPZSA-N	1	1	371.828	2.313	20	30		FEEDMO
N#Cc1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)cn1	ZINC001164694726	719888230	/nfs/dbraw/zinc/88/82/30/719888230.db2.gz	DJPLRGQVFCOHEK-UHFFFAOYSA-N	1	1	355.467	2.281	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cnc1C#N)C2	ZINC001164815344	720087561	/nfs/dbraw/zinc/08/75/61/720087561.db2.gz	YIHUUWGYOOYXIF-RDTXWAMCSA-N	1	1	361.877	2.186	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1C#N)C2	ZINC001164807461	720104616	/nfs/dbraw/zinc/10/46/16/720104616.db2.gz	CMUIPLQGKILHOY-APWZRJJASA-N	1	1	371.441	2.046	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(OC)cc(C#N)n1)C2	ZINC001164816174	720123469	/nfs/dbraw/zinc/12/34/69/720123469.db2.gz	YBNZLRZNIBERBV-OXJNMPFZSA-N	1	1	356.470	2.147	20	30		FEEDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3cncc(CC#N)n3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164843583	720586458	/nfs/dbraw/zinc/58/64/58/720586458.db2.gz	YIFXNDLXWFAPBY-YTQUADARSA-N	1	1	365.485	2.117	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc(C#N)c4ccccc4n3)CC[C@H]2C1	ZINC001164861772	720875162	/nfs/dbraw/zinc/87/51/62/720875162.db2.gz	QFVNZQMSECEMHY-OXJNMPFZSA-N	1	1	366.465	2.280	20	30		FEEDMO
N#Cc1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1	ZINC001164870024	721051253	/nfs/dbraw/zinc/05/12/53/721051253.db2.gz	VHTDWUQXGDLERV-IRXDYDNUSA-N	1	1	369.856	2.481	20	30		FEEDMO
N#Cc1c(Cl)ccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164871916	721065066	/nfs/dbraw/zinc/06/50/66/721065066.db2.gz	ZQNFCZYMABWXIL-JKSUJKDBSA-N	1	1	369.856	2.481	20	30		FEEDMO
Cc1ccc(CC#N)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164877639	721157577	/nfs/dbraw/zinc/15/75/77/721157577.db2.gz	PKRQYJKBGIVVNL-VQTJNVASSA-N	1	1	363.465	2.331	20	30		FEEDMO
N#Cc1cc(C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cnc1Cl	ZINC001164967565	722071973	/nfs/dbraw/zinc/07/19/73/722071973.db2.gz	PZPCDCMBRFJWEP-GASCZTMLSA-N	1	1	368.815	2.451	20	30		FEEDMO
N#Cc1cc(C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)cnc1Cl	ZINC001164967565	722071974	/nfs/dbraw/zinc/07/19/74/722071974.db2.gz	PZPCDCMBRFJWEP-GASCZTMLSA-N	1	1	368.815	2.451	20	30		FEEDMO
C[C@@H](c1ccc(NC(=O)CNc2ccc(C#N)cn2)cc1)[NH+]1CCOCC1	ZINC000497859135	889602935	/nfs/dbraw/zinc/60/29/35/889602935.db2.gz	VDFLHKGDKVHXKK-HNNXBMFYSA-N	1	1	365.437	2.397	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1	ZINC000008004290	539474957	/nfs/dbraw/zinc/47/49/57/539474957.db2.gz	VQGSUKPISYTXCJ-FQEVSTJZSA-N	1	1	356.470	2.392	20	30		FEEDMO
Cc1cc(NC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)on1	ZINC000025438011	539759899	/nfs/dbraw/zinc/75/98/99/539759899.db2.gz	OHTVIZFVDZDKSJ-UHFFFAOYSA-N	1	1	353.426	2.001	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1N1CCOCC1	ZINC000027511551	539808435	/nfs/dbraw/zinc/80/84/35/539808435.db2.gz	OEZWHMVOCAPKDG-DYESRHJHSA-N	1	1	372.513	2.398	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1N1CCOCC1	ZINC000027511551	539808438	/nfs/dbraw/zinc/80/84/38/539808438.db2.gz	OEZWHMVOCAPKDG-DYESRHJHSA-N	1	1	372.513	2.398	20	30		FEEDMO
CCC(CC)C(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000027611570	539811924	/nfs/dbraw/zinc/81/19/24/539811924.db2.gz	SJIWJRJWLCPBPW-UHFFFAOYSA-N	1	1	356.470	2.467	20	30		FEEDMO
N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)COc2ccccc2F)CC1	ZINC000030532169	539884591	/nfs/dbraw/zinc/88/45/91/539884591.db2.gz	LWAVGEXYNIOWNX-HNNXBMFYSA-N	1	1	373.403	2.398	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1	ZINC000041732669	540030813	/nfs/dbraw/zinc/03/08/13/540030813.db2.gz	HRRLXGKBIHKUQW-UHFFFAOYSA-N	1	1	362.433	2.061	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N(C)C[C@@H](C)C#N)cc2)CC1	ZINC000046121471	540243185	/nfs/dbraw/zinc/24/31/85/540243185.db2.gz	WXAFLQJRXBGJDA-KRWDZBQOSA-N	1	1	357.502	2.125	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cccc(I)c2)CC1	ZINC000049451108	540389733	/nfs/dbraw/zinc/38/97/33/540389733.db2.gz	RUIKUXWSLJVRNA-UHFFFAOYSA-N	1	1	368.218	2.072	20	30		FEEDMO
N#CCCCOc1cccc(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1	ZINC000050203203	540403259	/nfs/dbraw/zinc/40/32/59/540403259.db2.gz	RPMWZKWJVSGTNQ-KRWDZBQOSA-N	1	1	370.453	2.004	20	30		FEEDMO
CN(C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1nccs1	ZINC000052409450	540465248	/nfs/dbraw/zinc/46/52/48/540465248.db2.gz	QAAWEAGHUSMWNW-UHFFFAOYSA-N	1	1	369.494	2.185	20	30		FEEDMO
C[C@@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ccc(C#N)cc1	ZINC000052505628	540469420	/nfs/dbraw/zinc/46/94/20/540469420.db2.gz	ADURPFYRICPTIA-OAHLLOKOSA-N	1	1	351.454	2.381	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1Cl	ZINC000052929702	540500517	/nfs/dbraw/zinc/50/05/17/540500517.db2.gz	XWIDSXWQKOHRPW-HNNXBMFYSA-N	1	1	374.872	2.388	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1Cl	ZINC000052929702	540500521	/nfs/dbraw/zinc/50/05/21/540500521.db2.gz	XWIDSXWQKOHRPW-HNNXBMFYSA-N	1	1	374.872	2.388	20	30		FEEDMO
C[C@@H]1CCCN(C(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000055172345	540632839	/nfs/dbraw/zinc/63/28/39/540632839.db2.gz	XNQFCRSRWBDRKH-GOSISDBHSA-N	1	1	354.498	2.324	20	30		FEEDMO
C[C@@H]1CCCN(C(=O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000055172345	540632846	/nfs/dbraw/zinc/63/28/46/540632846.db2.gz	XNQFCRSRWBDRKH-GOSISDBHSA-N	1	1	354.498	2.324	20	30		FEEDMO
C[C@@H]1CCCN(C(=O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000055172345	540632850	/nfs/dbraw/zinc/63/28/50/540632850.db2.gz	XNQFCRSRWBDRKH-GOSISDBHSA-N	1	1	354.498	2.324	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C1CC1	ZINC000076300638	542257691	/nfs/dbraw/zinc/25/76/91/542257691.db2.gz	OFUUKEZPBFFOBS-UHFFFAOYSA-N	1	1	368.359	2.116	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000058918724	540859864	/nfs/dbraw/zinc/85/98/64/540859864.db2.gz	BXVCTVKOKHLVSL-OXJNMPFZSA-N	1	1	372.517	2.238	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000058918724	540859868	/nfs/dbraw/zinc/85/98/68/540859868.db2.gz	BXVCTVKOKHLVSL-OXJNMPFZSA-N	1	1	372.517	2.238	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CCC[N@H+](C3CC3)CC2)ccc1OCC#N	ZINC000061605688	541135294	/nfs/dbraw/zinc/13/52/94/541135294.db2.gz	NWCZRVHMLKFTEK-XBXARRHUSA-N	1	1	355.438	2.307	20	30		FEEDMO
C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[N@H+]1CCCC[C@@H]1C	ZINC000066240550	541294646	/nfs/dbraw/zinc/29/46/46/541294646.db2.gz	XFWFRDLIHPYHPO-GJZGRUSLSA-N	1	1	366.469	2.319	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1	ZINC000066638916	541352846	/nfs/dbraw/zinc/35/28/46/541352846.db2.gz	VLURTIVPPCQVMN-KRWDZBQOSA-N	1	1	356.470	2.171	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000067393299	541454819	/nfs/dbraw/zinc/45/48/19/541454819.db2.gz	AKPAZEXVSHULHF-INIZCTEOSA-N	1	1	372.469	2.156	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1	ZINC000067558422	541479964	/nfs/dbraw/zinc/47/99/64/541479964.db2.gz	FAZLSMZTEDYNQK-INIZCTEOSA-N	1	1	359.470	2.427	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000069412441	541684841	/nfs/dbraw/zinc/68/48/41/541684841.db2.gz	UCQSTGSSFSKEQO-DLBZAZTESA-N	1	1	373.476	2.450	20	30		FEEDMO
CC(C)[N@H+]1CCCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000069827814	541717180	/nfs/dbraw/zinc/71/71/80/541717180.db2.gz	OPKCRLGOVQFLJV-UHFFFAOYSA-N	1	1	370.501	2.048	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1	ZINC000072965793	541899135	/nfs/dbraw/zinc/89/91/35/541899135.db2.gz	JINXPQICPKMGQB-RBUKOAKNSA-N	1	1	359.518	2.229	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(C(=O)N(C)C)CC1	ZINC000073769594	541997258	/nfs/dbraw/zinc/99/72/58/541997258.db2.gz	XQUHTVILWBHBER-OAHLLOKOSA-N	1	1	374.460	2.261	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)CC1	ZINC000075939800	542217119	/nfs/dbraw/zinc/21/71/19/542217119.db2.gz	ZWNXDCHANPTDSC-UHFFFAOYSA-N	1	1	367.428	2.218	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(CN2CCOCC2)CC1	ZINC000076682650	542312254	/nfs/dbraw/zinc/31/22/54/542312254.db2.gz	ZIEQAGBEHKEIRS-NRFANRHFSA-N	1	1	374.525	2.199	20	30		FEEDMO
Cc1nc(C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N	ZINC000078152738	542445402	/nfs/dbraw/zinc/44/54/02/542445402.db2.gz	GPISATJFJFLJOM-UZLBHIALSA-N	1	1	364.449	2.281	20	30		FEEDMO
Cc1nc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N	ZINC000078152738	542445407	/nfs/dbraw/zinc/44/54/07/542445407.db2.gz	GPISATJFJFLJOM-UZLBHIALSA-N	1	1	364.449	2.281	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2nccs2)C1	ZINC000079886184	542547686	/nfs/dbraw/zinc/54/76/86/542547686.db2.gz	UDWUNLLXYAODSG-GJZGRUSLSA-N	1	1	362.499	2.383	20	30		FEEDMO
Cn1cc(C[C@@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)cn1	ZINC000083216957	542694220	/nfs/dbraw/zinc/69/42/20/542694220.db2.gz	BSFSCNZWRLWMAB-XJKSGUPXSA-N	1	1	355.467	2.023	20	30		FEEDMO
Cn1cc(C[C@@H]2CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)cn1	ZINC000083216957	542694225	/nfs/dbraw/zinc/69/42/25/542694225.db2.gz	BSFSCNZWRLWMAB-XJKSGUPXSA-N	1	1	355.467	2.023	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OC[C@H]2CCCO2)CC1	ZINC000083408328	542697393	/nfs/dbraw/zinc/69/73/93/542697393.db2.gz	LJMAGTNKCOWHMZ-SJLPKXTDSA-N	1	1	363.502	2.378	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)nc1	ZINC000089644439	542767457	/nfs/dbraw/zinc/76/74/57/542767457.db2.gz	KDGYSLQFSOIUBP-RBUKOAKNSA-N	1	1	366.465	2.045	20	30		FEEDMO
COc1cc(C)c(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC	ZINC000091936771	542833301	/nfs/dbraw/zinc/83/33/01/542833301.db2.gz	JRGJZKMUZYFSAL-HNNXBMFYSA-N	1	1	367.453	2.385	20	30		FEEDMO
COc1cc(C)c(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1OC	ZINC000091936771	542833303	/nfs/dbraw/zinc/83/33/03/542833303.db2.gz	JRGJZKMUZYFSAL-HNNXBMFYSA-N	1	1	367.453	2.385	20	30		FEEDMO
CCOc1ccc(C[N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1	ZINC000092617097	542875675	/nfs/dbraw/zinc/87/56/75/542875675.db2.gz	DYHQJKJBKQNUPN-HXUWFJFHSA-N	1	1	372.513	2.209	20	30		FEEDMO
CCOc1ccc(C[N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1	ZINC000092617097	542875677	/nfs/dbraw/zinc/87/56/77/542875677.db2.gz	DYHQJKJBKQNUPN-HXUWFJFHSA-N	1	1	372.513	2.209	20	30		FEEDMO
Cc1[nH+]ccn1-c1cncc(N2CCN(c3ccc(C#N)cc3F)CC2)n1	ZINC000092893810	542894579	/nfs/dbraw/zinc/89/45/79/542894579.db2.gz	WUZZAJKTONSMMD-UHFFFAOYSA-N	1	1	363.400	2.308	20	30		FEEDMO
C[N@@H+](CCN1CCOCC1)Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000092974684	542898696	/nfs/dbraw/zinc/89/86/96/542898696.db2.gz	HBELHNZYRXALPT-UHFFFAOYSA-N	1	1	353.470	2.228	20	30		FEEDMO
C=CCOc1cccc(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1	ZINC000102046999	543056683	/nfs/dbraw/zinc/05/66/83/543056683.db2.gz	HHJXUBKBMQXZRP-SFHVURJKSA-N	1	1	374.485	2.316	20	30		FEEDMO
CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(C(=O)N(C)C)cc1	ZINC000102931662	543086307	/nfs/dbraw/zinc/08/63/07/543086307.db2.gz	IYVLGWHTLURJRB-FQEVSTJZSA-N	1	1	358.486	2.265	20	30		FEEDMO
CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccc(C(=O)N(C)C)cc1	ZINC000102931662	543086310	/nfs/dbraw/zinc/08/63/10/543086310.db2.gz	IYVLGWHTLURJRB-FQEVSTJZSA-N	1	1	358.486	2.265	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@@H+](C)Cc2ccccc21	ZINC000103411594	543106272	/nfs/dbraw/zinc/10/62/72/543106272.db2.gz	OONMSQRSTAEGGI-UHFFFAOYSA-N	1	1	364.449	2.275	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+](C)Cc2ccccc21	ZINC000103411594	543106274	/nfs/dbraw/zinc/10/62/74/543106274.db2.gz	OONMSQRSTAEGGI-UHFFFAOYSA-N	1	1	364.449	2.275	20	30		FEEDMO
CC(C)[C@@H]1C(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000104062987	543121965	/nfs/dbraw/zinc/12/19/65/543121965.db2.gz	WMFTYWBGMQHWON-QGZVFWFLSA-N	1	1	374.510	2.284	20	30		FEEDMO
CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000104062987	543121968	/nfs/dbraw/zinc/12/19/68/543121968.db2.gz	WMFTYWBGMQHWON-QGZVFWFLSA-N	1	1	374.510	2.284	20	30		FEEDMO
C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000104075730	543122024	/nfs/dbraw/zinc/12/20/24/543122024.db2.gz	LQMASQYUEJINOH-OLZOCXBDSA-N	1	1	374.510	2.413	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000105033911	543155633	/nfs/dbraw/zinc/15/56/33/543155633.db2.gz	BDSWILLBSZLEJE-MRXNPFEDSA-N	1	1	374.485	2.350	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCC#N)CCC(C)C)CC1=O	ZINC000105329479	543171857	/nfs/dbraw/zinc/17/18/57/543171857.db2.gz	OPBXGWWVUVEEHK-MSOLQXFVSA-N	1	1	362.518	2.108	20	30		FEEDMO
CCOCC[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1	ZINC000106105418	543197945	/nfs/dbraw/zinc/19/79/45/543197945.db2.gz	FTOCERDSLDIFPS-LJQANCHMSA-N	1	1	372.513	2.284	20	30		FEEDMO
N#Cc1cccc(OCC[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c1	ZINC000106150063	543208422	/nfs/dbraw/zinc/20/84/22/543208422.db2.gz	CXUOOEHBLVVMBF-UHFFFAOYSA-N	1	1	367.453	2.405	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1	ZINC000106179274	543213797	/nfs/dbraw/zinc/21/37/97/543213797.db2.gz	WVXZNLVBKIKZIL-MAUKXSAKSA-N	1	1	372.517	2.338	20	30		FEEDMO
C#CCOc1cccc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1	ZINC000108605204	543297215	/nfs/dbraw/zinc/29/72/15/543297215.db2.gz	JAGZKGJJCQRVGS-INIZCTEOSA-N	1	1	357.454	2.018	20	30		FEEDMO
COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)cc1OC	ZINC000114724744	543532767	/nfs/dbraw/zinc/53/27/67/543532767.db2.gz	YUKCZEDQLIWXFE-KRWDZBQOSA-N	1	1	370.453	2.497	20	30		FEEDMO
COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)cc1OC	ZINC000114724744	543532770	/nfs/dbraw/zinc/53/27/70/543532770.db2.gz	YUKCZEDQLIWXFE-KRWDZBQOSA-N	1	1	370.453	2.497	20	30		FEEDMO
COc1cc(/C=C/C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OCC#N	ZINC000115443950	543568431	/nfs/dbraw/zinc/56/84/31/543568431.db2.gz	FPRVZCMORPRCLE-UGAXZCSASA-N	1	1	357.454	2.411	20	30		FEEDMO
C=CCC[C@@H](O)C[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000121507414	543695721	/nfs/dbraw/zinc/69/57/21/543695721.db2.gz	LACWKJWNEAEOPN-IAGOWNOFSA-N	1	1	353.484	2.011	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000121507414	543695723	/nfs/dbraw/zinc/69/57/23/543695723.db2.gz	LACWKJWNEAEOPN-IAGOWNOFSA-N	1	1	353.484	2.011	20	30		FEEDMO
C#CCOc1cccc(NC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)c1	ZINC000118821254	543660433	/nfs/dbraw/zinc/66/04/33/543660433.db2.gz	BPVONZWKLITJEH-QGZVFWFLSA-N	1	1	358.486	2.094	20	30		FEEDMO
C=CCOc1cccc(C[N@@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000120137570	543676355	/nfs/dbraw/zinc/67/63/55/543676355.db2.gz	JWFOAZKHDKQOAR-QGZVFWFLSA-N	1	1	353.484	2.277	20	30		FEEDMO
C=CCOc1cccc(C[N@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000120137570	543676357	/nfs/dbraw/zinc/67/63/57/543676357.db2.gz	JWFOAZKHDKQOAR-QGZVFWFLSA-N	1	1	353.484	2.277	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1C	ZINC000122665580	543716968	/nfs/dbraw/zinc/71/69/68/543716968.db2.gz	IWQTULQOJNBUKU-SFHVURJKSA-N	1	1	373.497	2.044	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1C	ZINC000122665580	543716969	/nfs/dbraw/zinc/71/69/69/543716969.db2.gz	IWQTULQOJNBUKU-SFHVURJKSA-N	1	1	373.497	2.044	20	30		FEEDMO
CC(C)c1[nH+]ccn1CC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1	ZINC000123591102	543771052	/nfs/dbraw/zinc/77/10/52/543771052.db2.gz	YTRDDDRNWDBEPJ-SFHVURJKSA-N	1	1	351.454	2.416	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1	ZINC000124451217	543822573	/nfs/dbraw/zinc/82/25/73/543822573.db2.gz	YJZPOGQOFAEEOP-WMZOPIPTSA-N	1	1	357.454	2.048	20	30		FEEDMO
N#Cc1ccc([C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)C(N)=O)cc1	ZINC000125273757	543872035	/nfs/dbraw/zinc/87/20/35/543872035.db2.gz	SFLKODGJEGHCKM-CQSZACIVSA-N	1	1	365.220	2.455	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000126212791	543924241	/nfs/dbraw/zinc/92/42/41/543924241.db2.gz	ZOEADNSSCYPLRA-CAZWYBIWSA-N	1	1	362.518	2.154	20	30		FEEDMO
C[NH+]1CCN([C@H]2CCCCN(C(=O)Nc3ccc(F)cc3C#N)C2)CC1	ZINC000126622923	543947351	/nfs/dbraw/zinc/94/73/51/543947351.db2.gz	QPNJRVURBXFZON-KRWDZBQOSA-N	1	1	359.449	2.331	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C[N@H+]1C1CC1	ZINC000127901244	544020394	/nfs/dbraw/zinc/02/03/94/544020394.db2.gz	GWWNTMNYZDFVOG-AEFFLSMTSA-N	1	1	367.497	2.405	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC[N@H+]1CCOC	ZINC000127935705	544022589	/nfs/dbraw/zinc/02/25/89/544022589.db2.gz	OOSVERXLFGRYLM-SJLPKXTDSA-N	1	1	359.470	2.285	20	30		FEEDMO
CCC[C@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000128002897	544026966	/nfs/dbraw/zinc/02/69/66/544026966.db2.gz	BPGQAXWQTXMANQ-AEFFLSMTSA-N	1	1	359.470	2.285	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1	ZINC000127413961	543991657	/nfs/dbraw/zinc/99/16/57/543991657.db2.gz	OTXBJKNXZJGULD-AWEZNQCLSA-N	1	1	364.287	2.417	20	30		FEEDMO
N#Cc1ccc([C@H](O)C[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1	ZINC000127534634	543999018	/nfs/dbraw/zinc/99/90/18/543999018.db2.gz	BADHWPMCKPDZKA-QGZVFWFLSA-N	1	1	365.462	2.419	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000128582600	544061262	/nfs/dbraw/zinc/06/12/62/544061262.db2.gz	KCHUMKBEUUTKCB-INIZCTEOSA-N	1	1	360.433	2.263	20	30		FEEDMO
Cn1cc(CCC[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1	ZINC000129246821	544100833	/nfs/dbraw/zinc/10/08/33/544100833.db2.gz	LMPDCRIXYQHENM-UHFFFAOYSA-N	1	1	366.425	2.295	20	30		FEEDMO
C=CCNc1ncc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)s1	ZINC000129485844	544114872	/nfs/dbraw/zinc/11/48/72/544114872.db2.gz	LBKCVYGAMPGIQS-UHFFFAOYSA-N	1	1	359.455	2.493	20	30		FEEDMO
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC[N@H+](CCO)CC1	ZINC000131563090	544195971	/nfs/dbraw/zinc/19/59/71/544195971.db2.gz	KUDDYMBZVOFCOQ-UHFFFAOYSA-N	1	1	362.380	2.212	20	30		FEEDMO
C[NH+]1CCN(CCCCNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1	ZINC000131794356	544207449	/nfs/dbraw/zinc/20/74/49/544207449.db2.gz	RIIMVCMSQSLUNW-IBGZPJMESA-N	1	1	357.502	2.358	20	30		FEEDMO
C[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)CN1CC[NH+](C)CC1	ZINC000133827544	544284957	/nfs/dbraw/zinc/28/49/57/544284957.db2.gz	YJOXCLCYYXAATE-PKOBYXMFSA-N	1	1	357.502	2.214	20	30		FEEDMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000133920212	544287984	/nfs/dbraw/zinc/28/79/84/544287984.db2.gz	PUPZNEPVBKLYOC-HNNXBMFYSA-N	1	1	356.470	2.226	20	30		FEEDMO
N#Cc1ccc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)[nH]1	ZINC000133120928	544257001	/nfs/dbraw/zinc/25/70/01/544257001.db2.gz	RNCZTENTXNAVRZ-UHFFFAOYSA-N	1	1	357.845	2.092	20	30		FEEDMO
C=C[C@@H](CC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1)c1ccccc1	ZINC000134672469	544317972	/nfs/dbraw/zinc/31/79/72/544317972.db2.gz	SEWGBYJTDKQDRB-AZUAARDMSA-N	1	1	369.509	2.359	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1	ZINC000134128012	544295109	/nfs/dbraw/zinc/29/51/09/544295109.db2.gz	STPRTESXLMGVSS-INIZCTEOSA-N	1	1	359.470	2.380	20	30		FEEDMO
CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1	ZINC000135737764	544360090	/nfs/dbraw/zinc/36/00/90/544360090.db2.gz	NFGNGNARSIIURM-QGZVFWFLSA-N	1	1	361.511	2.488	20	30		FEEDMO
COc1ccc(OCC[N@@H+](C)C[C@H](O)COc2ccccc2C#N)cc1	ZINC000141583050	544413474	/nfs/dbraw/zinc/41/34/74/544413474.db2.gz	KNUIYHNDONXKFT-KRWDZBQOSA-N	1	1	356.422	2.317	20	30		FEEDMO
C=C(C)COCCNC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000151471743	544545927	/nfs/dbraw/zinc/54/59/27/544545927.db2.gz	KJZMZUCFSQXXGU-UHFFFAOYSA-N	1	1	360.502	2.043	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1	ZINC000151197804	544515236	/nfs/dbraw/zinc/51/52/36/544515236.db2.gz	RNWUQSVKUYHBCI-OAHLLOKOSA-N	1	1	354.454	2.268	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1	ZINC000151197740	544515763	/nfs/dbraw/zinc/51/57/63/544515763.db2.gz	RNWUQSVKUYHBCI-HNNXBMFYSA-N	1	1	354.454	2.268	20	30		FEEDMO
CC(C)N(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000151819547	544584268	/nfs/dbraw/zinc/58/42/68/544584268.db2.gz	GQQSCDQGQHEDMS-UHFFFAOYSA-N	1	1	365.499	2.176	20	30		FEEDMO
C#CCCCCNC(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000152176293	544622371	/nfs/dbraw/zinc/62/23/71/544622371.db2.gz	SOKCSSZZBJCEFY-KRWDZBQOSA-N	1	1	359.470	2.381	20	30		FEEDMO
C#CCCCCNC(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000152176293	544622374	/nfs/dbraw/zinc/62/23/74/544622374.db2.gz	SOKCSSZZBJCEFY-KRWDZBQOSA-N	1	1	359.470	2.381	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1	ZINC000152403195	544648220	/nfs/dbraw/zinc/64/82/20/544648220.db2.gz	OGLUKDGCPLHBPS-FUHWJXTLSA-N	1	1	367.453	2.104	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([NH+]3CCC(N4CCCCC4=O)CC3)C2=O)cc1	ZINC000153074197	544729994	/nfs/dbraw/zinc/72/99/94/544729994.db2.gz	BCNZOMXJHHNTKO-IBGZPJMESA-N	1	1	366.465	2.140	20	30		FEEDMO
C#CCSCCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1	ZINC000153934280	544842510	/nfs/dbraw/zinc/84/25/10/544842510.db2.gz	SLUKANLOCOWOLH-INIZCTEOSA-N	1	1	361.511	2.073	20	30		FEEDMO
C#CCSCCNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1	ZINC000153934280	544842512	/nfs/dbraw/zinc/84/25/12/544842512.db2.gz	SLUKANLOCOWOLH-INIZCTEOSA-N	1	1	361.511	2.073	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C	ZINC000154413855	544903413	/nfs/dbraw/zinc/90/34/13/544903413.db2.gz	BWTBZSBYTSAUHL-HZPDHXFCSA-N	1	1	372.469	2.249	20	30		FEEDMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(F)c1C#N	ZINC000188184896	328071718	/nfs/dbraw/zinc/07/17/18/328071718.db2.gz	MFYGATURGHHEJY-NRFANRHFSA-N	1	1	367.424	2.406	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1	ZINC000189083517	328127456	/nfs/dbraw/zinc/12/74/56/328127456.db2.gz	UPWWOXQJIMEJJU-UHFFFAOYSA-N	1	1	359.470	2.474	20	30		FEEDMO
CCO[C@H]1C[C@@](CO)([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C1(C)C	ZINC000190023714	328183355	/nfs/dbraw/zinc/18/33/55/328183355.db2.gz	VQUHEIGVAKFHQC-KXBFYZLASA-N	1	1	356.426	2.264	20	30		FEEDMO
CCOCCOCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000190257928	328197067	/nfs/dbraw/zinc/19/70/67/328197067.db2.gz	UHDJFVONVDNLKZ-UHFFFAOYSA-N	1	1	365.499	2.422	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2CO)c1C#N	ZINC000190446367	328208131	/nfs/dbraw/zinc/20/81/31/328208131.db2.gz	HUULKQCNAWLDDT-UGSOOPFHSA-N	1	1	370.453	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1C#N	ZINC000190446367	328208132	/nfs/dbraw/zinc/20/81/32/328208132.db2.gz	HUULKQCNAWLDDT-UGSOOPFHSA-N	1	1	370.453	2.259	20	30		FEEDMO
Cc1nn(C)c(Cl)c1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000190838439	328235457	/nfs/dbraw/zinc/23/54/57/328235457.db2.gz	CNKGRRVRKIUTIM-INIZCTEOSA-N	1	1	357.845	2.144	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)c2ccnc(C#N)c2)CC1	ZINC000192679034	328332719	/nfs/dbraw/zinc/33/27/19/328332719.db2.gz	HTKZIIGFPIPEKQ-UHFFFAOYSA-N	1	1	363.465	2.021	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccnc(C#N)c3)c2)CCO1	ZINC000192901613	328345789	/nfs/dbraw/zinc/34/57/89/328345789.db2.gz	IHASONJHQQGHGD-OAHLLOKOSA-N	1	1	350.422	2.104	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccnc(C#N)c3)c2)CCO1	ZINC000192901613	328345790	/nfs/dbraw/zinc/34/57/90/328345790.db2.gz	IHASONJHQQGHGD-OAHLLOKOSA-N	1	1	350.422	2.104	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000078728679	325059933	/nfs/dbraw/zinc/05/99/33/325059933.db2.gz	UXNAKAWYJNKTIN-IBGZPJMESA-N	1	1	362.433	2.278	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1	ZINC000089874176	325338733	/nfs/dbraw/zinc/33/87/33/325338733.db2.gz	UOLZRHJXRJVEAB-QZTJIDSGSA-N	1	1	368.412	2.454	20	30		FEEDMO
Cc1cccc(Cl)c1NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943801	325344743	/nfs/dbraw/zinc/34/47/43/325344743.db2.gz	DGIJBTVHXJMMLY-UHFFFAOYSA-N	1	1	360.849	2.329	20	30		FEEDMO
Cn1cc[nH+]c1C[C@@H]1CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000090003636	325349874	/nfs/dbraw/zinc/34/98/74/325349874.db2.gz	FEXKRVCYBILRFT-KRWDZBQOSA-N	1	1	372.494	2.020	20	30		FEEDMO
CCCCC[N@@H+](CCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000118825747	326105104	/nfs/dbraw/zinc/10/51/04/326105104.db2.gz	CIKCZEQBWPDLEN-UHFFFAOYSA-N	1	1	355.442	2.167	20	30		FEEDMO
CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000120144509	326234087	/nfs/dbraw/zinc/23/40/87/326234087.db2.gz	FKKJHTIGFSQFKN-ZDUSSCGKSA-N	1	1	371.453	2.483	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000120144509	326234089	/nfs/dbraw/zinc/23/40/89/326234089.db2.gz	FKKJHTIGFSQFKN-ZDUSSCGKSA-N	1	1	371.453	2.483	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccn(-c2c(F)cccc2F)n1	ZINC000121393871	326335406	/nfs/dbraw/zinc/33/54/06/326335406.db2.gz	OUYLMZWBWXEWFU-UHFFFAOYSA-N	1	1	371.395	2.392	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000121456732	326340319	/nfs/dbraw/zinc/34/03/19/326340319.db2.gz	IIIKUUQTXWVJED-MRXNPFEDSA-N	1	1	372.860	2.187	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CCC(Cc2[nH+]ccn2C)CC1	ZINC000121876650	326373365	/nfs/dbraw/zinc/37/33/65/326373365.db2.gz	QXVRTANKFAEXKK-UHFFFAOYSA-N	1	1	368.437	2.160	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000122084800	326383564	/nfs/dbraw/zinc/38/35/64/326383564.db2.gz	VYUBDMWLTAPDDH-FQEVSTJZSA-N	1	1	372.513	2.155	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C4CCOCC4)CC3)C2=O)cc1	ZINC000130129570	326551818	/nfs/dbraw/zinc/55/18/18/326551818.db2.gz	CWBKIXWKBLGSHZ-LJQANCHMSA-N	1	1	367.449	2.329	20	30		FEEDMO
C[C@@H](C(=O)N1CCCN(c2ccccc2C#N)CC1)[NH+]1CCSCC1	ZINC000131844818	326582794	/nfs/dbraw/zinc/58/27/94/326582794.db2.gz	TXAILGUMDLNIGG-INIZCTEOSA-N	1	1	358.511	2.034	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000153157511	326725469	/nfs/dbraw/zinc/72/54/69/326725469.db2.gz	RMUHBFZABHVIOB-UHFFFAOYSA-N	1	1	353.426	2.316	20	30		FEEDMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000160220990	326957697	/nfs/dbraw/zinc/95/76/97/326957697.db2.gz	UFINUYUQAWCKEG-MRXNPFEDSA-N	1	1	359.470	2.142	20	30		FEEDMO
N#Cc1ccc([C@H]([NH2+]CCOc2ncccc2C(F)(F)F)C(N)=O)cc1	ZINC000161550414	327002585	/nfs/dbraw/zinc/00/25/85/327002585.db2.gz	YZMVJPOHZZWQFL-AWEZNQCLSA-N	1	1	364.327	2.167	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000171623802	327149118	/nfs/dbraw/zinc/14/91/18/327149118.db2.gz	RGDCSEICIYNAKH-HOCLYGCPSA-N	1	1	364.453	2.303	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000171623802	327149119	/nfs/dbraw/zinc/14/91/19/327149119.db2.gz	RGDCSEICIYNAKH-HOCLYGCPSA-N	1	1	364.453	2.303	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1	ZINC000171768088	327160063	/nfs/dbraw/zinc/16/00/63/327160063.db2.gz	HDHQCJXPGGEOED-KRWDZBQOSA-N	1	1	355.486	2.122	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1	ZINC000173180623	327239695	/nfs/dbraw/zinc/23/96/95/327239695.db2.gz	PLLTXVSSIMMAHF-IRXDYDNUSA-N	1	1	371.481	2.475	20	30		FEEDMO
N#Cc1csc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1	ZINC000175064379	327371688	/nfs/dbraw/zinc/37/16/88/327371688.db2.gz	DKVJQOXCWHRWLP-OAHLLOKOSA-N	1	1	366.406	2.227	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000177514364	327527731	/nfs/dbraw/zinc/52/77/31/327527731.db2.gz	OSHMQPVGTMOVRB-HOTGVXAUSA-N	1	1	365.499	2.034	20	30		FEEDMO
CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264137332	328994461	/nfs/dbraw/zinc/99/44/61/328994461.db2.gz	PLEGWZJOVQOGDO-AWEZNQCLSA-N	1	1	358.442	2.024	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1	ZINC000265661297	329147580	/nfs/dbraw/zinc/14/75/80/329147580.db2.gz	RZIOAYKALWFXKO-SFHVURJKSA-N	1	1	374.448	2.097	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1	ZINC000265661297	329147581	/nfs/dbraw/zinc/14/75/81/329147581.db2.gz	RZIOAYKALWFXKO-SFHVURJKSA-N	1	1	374.448	2.097	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(c3ccc(F)cc3C#N)CC2)CC1	ZINC000266351415	329214191	/nfs/dbraw/zinc/21/41/91/329214191.db2.gz	JKRXHNLYWPQPLR-UHFFFAOYSA-N	1	1	358.461	2.468	20	30		FEEDMO
CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000266936325	329274397	/nfs/dbraw/zinc/27/43/97/329274397.db2.gz	PTMRTSPZUCOUMR-GOSISDBHSA-N	1	1	366.469	2.226	20	30		FEEDMO
CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000266936325	329274398	/nfs/dbraw/zinc/27/43/98/329274398.db2.gz	PTMRTSPZUCOUMR-GOSISDBHSA-N	1	1	366.469	2.226	20	30		FEEDMO
N#Cc1ccc(C[NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)c(F)c1	ZINC000269436678	329520040	/nfs/dbraw/zinc/52/00/40/329520040.db2.gz	RINIXLZBHXPWGN-UHFFFAOYSA-N	1	1	367.428	2.084	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000276176179	330126476	/nfs/dbraw/zinc/12/64/76/330126476.db2.gz	LOYFBUNPEURHOX-KGLIPLIRSA-N	1	1	360.845	2.235	20	30		FEEDMO
CCn1cc(CC[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1	ZINC000276341943	330142760	/nfs/dbraw/zinc/14/27/60/330142760.db2.gz	UDFBRXCTOCJPCL-UHFFFAOYSA-N	1	1	366.425	2.387	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)c1ccc(F)cc1	ZINC000805121957	674320472	/nfs/dbraw/zinc/32/04/72/674320472.db2.gz	WTQKYZDPSHJMAJ-INIZCTEOSA-N	1	1	365.405	2.418	20	30		FEEDMO
C#C[C@@H](NC(=O)NC[C@@H](C)C[NH+]1CCOCC1)c1ccc(Cl)cc1F	ZINC000805185271	674324702	/nfs/dbraw/zinc/32/47/02/674324702.db2.gz	DCHWGZXRFXQAKH-CXAGYDPISA-N	1	1	367.852	2.421	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1F	ZINC000805221388	674326455	/nfs/dbraw/zinc/32/64/55/674326455.db2.gz	IXEQIWOIOJUQGB-RLCCDNCMSA-N	1	1	353.825	2.172	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1F	ZINC000805221388	674326457	/nfs/dbraw/zinc/32/64/57/674326457.db2.gz	IXEQIWOIOJUQGB-RLCCDNCMSA-N	1	1	353.825	2.172	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc2C1=O	ZINC000155399331	545521091	/nfs/dbraw/zinc/52/10/91/545521091.db2.gz	VCFAUBLLUKYJFZ-QAPCUYQASA-N	1	1	367.449	2.025	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-n2ccnc2)cc1	ZINC000155533489	545539503	/nfs/dbraw/zinc/53/95/03/545539503.db2.gz	LBIVRUZHLAGVNF-INIZCTEOSA-N	1	1	359.437	2.245	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-n2ccnc2)cc1	ZINC000155533489	545539510	/nfs/dbraw/zinc/53/95/10/545539510.db2.gz	LBIVRUZHLAGVNF-INIZCTEOSA-N	1	1	359.437	2.245	20	30		FEEDMO
CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1	ZINC000156236275	545610252	/nfs/dbraw/zinc/61/02/52/545610252.db2.gz	NISVYWJJOCLFPU-QGZVFWFLSA-N	1	1	354.903	2.485	20	30		FEEDMO
CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1	ZINC000156236275	545610255	/nfs/dbraw/zinc/61/02/55/545610255.db2.gz	NISVYWJJOCLFPU-QGZVFWFLSA-N	1	1	354.903	2.485	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1	ZINC000172600675	546261141	/nfs/dbraw/zinc/26/11/41/546261141.db2.gz	VRQUAJIVVWPKQH-UHFFFAOYSA-N	1	1	350.271	2.317	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1	ZINC000174037328	546289754	/nfs/dbraw/zinc/28/97/54/546289754.db2.gz	BRRQXSFRXNYTMO-KRWDZBQOSA-N	1	1	361.486	2.233	20	30		FEEDMO
C=CCOCCCC(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1	ZINC000174047515	546290444	/nfs/dbraw/zinc/29/04/44/546290444.db2.gz	UIXAOSYZDUVMPL-UHFFFAOYSA-N	1	1	361.486	2.234	20	30		FEEDMO
CCN1CC[NH+](CCC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000175719113	546338926	/nfs/dbraw/zinc/33/89/26/546338926.db2.gz	ARWYGBJIDKYAHD-UHFFFAOYSA-N	1	1	367.415	2.201	20	30		FEEDMO
COc1ccc(O)c(/C=N/c2cccc(CC(=O)N3CC[NH+](C)CC3)c2)c1	ZINC000176321515	546431870	/nfs/dbraw/zinc/43/18/70/546431870.db2.gz	JGLKFZOMICJQJW-PXLXIMEGSA-N	1	1	367.449	2.468	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H]1[NH+]1CCOCC1	ZINC000177233678	546575854	/nfs/dbraw/zinc/57/58/54/546575854.db2.gz	AUGKNCSAQFTPTD-ZBFHGGJFSA-N	1	1	359.474	2.299	20	30		FEEDMO
CC(C)OCCN1CCC([NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000177487935	546629029	/nfs/dbraw/zinc/62/90/29/546629029.db2.gz	YZBLZPQRUHFMDO-FQEVSTJZSA-N	1	1	370.497	2.143	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000177738379	546677351	/nfs/dbraw/zinc/67/73/51/546677351.db2.gz	ZHQXORUVNGGVFI-SJORKVTESA-N	1	1	371.485	2.049	20	30		FEEDMO
C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1	ZINC000481283018	561229723	/nfs/dbraw/zinc/22/97/23/561229723.db2.gz	JRDITVHHFFBEAB-UHFFFAOYSA-N	1	1	367.515	2.472	20	30		FEEDMO
C=C(C)C[N@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1	ZINC000481283018	561229724	/nfs/dbraw/zinc/22/97/24/561229724.db2.gz	JRDITVHHFFBEAB-UHFFFAOYSA-N	1	1	367.515	2.472	20	30		FEEDMO
CC(=O)N[C@H](C)C1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1	ZINC000481122913	561225694	/nfs/dbraw/zinc/22/56/94/561225694.db2.gz	WZFLFICRCZTLEX-CYBMUJFWSA-N	1	1	353.426	2.345	20	30		FEEDMO
C=CCOc1ccc(OCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1	ZINC000178187323	546755843	/nfs/dbraw/zinc/75/58/43/546755843.db2.gz	IVOMNKLKIOPZHF-LJQANCHMSA-N	1	1	362.470	2.103	20	30		FEEDMO
CCCN(C(=O)Cn1cnc(C#N)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000178496665	546803803	/nfs/dbraw/zinc/80/38/03/546803803.db2.gz	MYWJPIHLYSSMFQ-GOSISDBHSA-N	1	1	366.469	2.053	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000178577293	546815592	/nfs/dbraw/zinc/81/55/92/546815592.db2.gz	IBCWWMUIXGSORL-LJQANCHMSA-N	1	1	364.449	2.407	20	30		FEEDMO
CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000179885135	547023622	/nfs/dbraw/zinc/02/36/22/547023622.db2.gz	KLSWOIFCPKSISD-GOSISDBHSA-N	1	1	372.494	2.358	20	30		FEEDMO
CCC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000179885135	547023627	/nfs/dbraw/zinc/02/36/27/547023627.db2.gz	KLSWOIFCPKSISD-GOSISDBHSA-N	1	1	372.494	2.358	20	30		FEEDMO
Cn1cc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180011020	547038678	/nfs/dbraw/zinc/03/86/78/547038678.db2.gz	YWRBNOLISLBHOU-MRXNPFEDSA-N	1	1	351.454	2.436	20	30		FEEDMO
C=CCNc1ncc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)s1	ZINC000180353540	547090641	/nfs/dbraw/zinc/09/06/41/547090641.db2.gz	PROTZLNHLAPQKK-INIZCTEOSA-N	1	1	372.494	2.238	20	30		FEEDMO
COCCCOCC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000180725665	547167103	/nfs/dbraw/zinc/16/71/03/547167103.db2.gz	MKPXRAQLEDLRRU-CYBMUJFWSA-N	1	1	365.499	2.420	20	30		FEEDMO
COCCCOCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000180725665	547167108	/nfs/dbraw/zinc/16/71/08/547167108.db2.gz	MKPXRAQLEDLRRU-CYBMUJFWSA-N	1	1	365.499	2.420	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F	ZINC000483084290	561266872	/nfs/dbraw/zinc/26/68/72/561266872.db2.gz	DKJBVOFIKAOSDT-BBRMVZONSA-N	1	1	373.375	2.263	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1	ZINC000181155661	547259375	/nfs/dbraw/zinc/25/93/75/547259375.db2.gz	XFWKSRICRVGSSJ-LSDHHAIUSA-N	1	1	369.469	2.451	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1	ZINC000181155661	547259381	/nfs/dbraw/zinc/25/93/81/547259381.db2.gz	XFWKSRICRVGSSJ-LSDHHAIUSA-N	1	1	369.469	2.451	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1	ZINC000181155661	547259387	/nfs/dbraw/zinc/25/93/87/547259387.db2.gz	XFWKSRICRVGSSJ-LSDHHAIUSA-N	1	1	369.469	2.451	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000181303275	547289539	/nfs/dbraw/zinc/28/95/39/547289539.db2.gz	RXWLUPFGIWZQGB-WBVHZDCISA-N	1	1	366.469	2.412	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2ccc(F)cc2F)CC1	ZINC000181583837	547339727	/nfs/dbraw/zinc/33/97/27/547339727.db2.gz	BCEDNODVAXJVIZ-KDOFPFPSSA-N	1	1	364.440	2.308	20	30		FEEDMO
C[N@H+](Cc1ccc(C#N)cc1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1	ZINC000181959508	547413497	/nfs/dbraw/zinc/41/34/97/547413497.db2.gz	PXNTZFOXQYFYMG-IBGZPJMESA-N	1	1	358.463	2.301	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)cc1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1	ZINC000181959508	547413502	/nfs/dbraw/zinc/41/35/02/547413502.db2.gz	PXNTZFOXQYFYMG-IBGZPJMESA-N	1	1	358.463	2.301	20	30		FEEDMO
C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nnc2ccccn21	ZINC000182673448	547531040	/nfs/dbraw/zinc/53/10/40/547531040.db2.gz	OQAUPOZBRMYWRU-PBHICJAKSA-N	1	1	360.421	2.447	20	30		FEEDMO
C[NH+]1CCN(CCC(C)(C)NC(=O)c2cccc(SCC#N)c2)CC1	ZINC000184212593	547788126	/nfs/dbraw/zinc/78/81/26/547788126.db2.gz	XJPLKNHZIDVVBW-UHFFFAOYSA-N	1	1	360.527	2.448	20	30		FEEDMO
CC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1nc(C)cs1	ZINC000184398935	547820567	/nfs/dbraw/zinc/82/05/67/547820567.db2.gz	NXWHRAHIZWUREX-CVEARBPZSA-N	1	1	363.531	2.185	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184584824	547850489	/nfs/dbraw/zinc/85/04/89/547850489.db2.gz	ZGYUQZNQSJHTML-SJORKVTESA-N	1	1	365.441	2.229	20	30		FEEDMO
C=CC[C@@H](CO)NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000184974191	547910035	/nfs/dbraw/zinc/91/00/35/547910035.db2.gz	ZVXDGQDIZZWLPX-SFHVURJKSA-N	1	1	372.469	2.032	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)nc1	ZINC000185479085	547990032	/nfs/dbraw/zinc/99/00/32/547990032.db2.gz	TWQBSJDFLQXRQU-HNNXBMFYSA-N	1	1	354.479	2.389	20	30		FEEDMO
C#CCC(C)(C)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000185533517	547998059	/nfs/dbraw/zinc/99/80/59/547998059.db2.gz	XLWBTGSTCBJIIY-UHFFFAOYSA-N	1	1	357.454	2.071	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C#N)cc1OC	ZINC000185638061	548013283	/nfs/dbraw/zinc/01/32/83/548013283.db2.gz	SVPRMLOMZUKCEB-OAHLLOKOSA-N	1	1	351.472	2.110	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)C1CC1	ZINC000186071511	548079744	/nfs/dbraw/zinc/07/97/44/548079744.db2.gz	CPFAAEFANJGZID-IBGZPJMESA-N	1	1	370.478	2.142	20	30		FEEDMO
COC(=O)c1coc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000186412383	548131585	/nfs/dbraw/zinc/13/15/85/548131585.db2.gz	OAMLCOPSSSPIFR-UHFFFAOYSA-N	1	1	367.405	2.286	20	30		FEEDMO
COC(=O)c1coc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000186412383	548131593	/nfs/dbraw/zinc/13/15/93/548131593.db2.gz	OAMLCOPSSSPIFR-UHFFFAOYSA-N	1	1	367.405	2.286	20	30		FEEDMO
COc1cc([C@H](C#N)NC(=O)[C@@H]2CCCc3[nH+]ccn32)cc(OC)c1OC	ZINC000486125513	561338702	/nfs/dbraw/zinc/33/87/02/561338702.db2.gz	VCUFFKPAVOHAEL-KBPBESRZSA-N	1	1	370.409	2.167	20	30		FEEDMO
C=C(C)[C@@H]([NH2+][C@H](C)C(=O)N1CCN(C(C)=O)CC1)c1ccc(F)c(F)c1	ZINC000187781950	548264462	/nfs/dbraw/zinc/26/44/62/548264462.db2.gz	SMDFZPVCXCGHRW-FZKQIMNGSA-N	1	1	365.424	2.251	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000188701413	548285884	/nfs/dbraw/zinc/28/58/84/548285884.db2.gz	SPJLYTHQYCPPRU-INIZCTEOSA-N	1	1	361.486	2.238	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C	ZINC000188703745	548286131	/nfs/dbraw/zinc/28/61/31/548286131.db2.gz	AOYDOEFNECUWEL-MRXNPFEDSA-N	1	1	361.486	2.238	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C2(CO)CCOCC2)c1C	ZINC000191028138	548339032	/nfs/dbraw/zinc/33/90/32/548339032.db2.gz	NMMUBGFGEUZPNQ-UHFFFAOYSA-N	1	1	359.470	2.023	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C	ZINC000193583120	548390347	/nfs/dbraw/zinc/39/03/47/548390347.db2.gz	XLGBONKMUWUMQG-DCGLDWPTSA-N	1	1	360.483	2.134	20	30		FEEDMO
CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1	ZINC000194964079	548556328	/nfs/dbraw/zinc/55/63/28/548556328.db2.gz	DPXBRYLWQGSJGH-LJQANCHMSA-N	1	1	369.465	2.467	20	30		FEEDMO
CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1	ZINC000194964079	548556332	/nfs/dbraw/zinc/55/63/32/548556332.db2.gz	DPXBRYLWQGSJGH-LJQANCHMSA-N	1	1	369.465	2.467	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(C)=O)C1	ZINC000195718913	548656825	/nfs/dbraw/zinc/65/68/25/548656825.db2.gz	HRUNGIOVUMUSOA-WBVHZDCISA-N	1	1	363.527	2.499	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1	ZINC000487745177	561374900	/nfs/dbraw/zinc/37/49/00/561374900.db2.gz	VQPHKJJBLYIBLW-WDSOQIARSA-N	1	1	372.513	2.394	20	30		FEEDMO
Cc1cc(F)ccc1C[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000487987757	561380679	/nfs/dbraw/zinc/38/06/79/561380679.db2.gz	LAULZIOFMROIBU-IBGZPJMESA-N	1	1	360.477	2.258	20	30		FEEDMO
Cc1cc(F)ccc1C[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000487987757	561380680	/nfs/dbraw/zinc/38/06/80/561380680.db2.gz	LAULZIOFMROIBU-IBGZPJMESA-N	1	1	360.477	2.258	20	30		FEEDMO
CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@H](C)c1cccc(O)c1	ZINC000245563293	548947754	/nfs/dbraw/zinc/94/77/54/548947754.db2.gz	PTNONAZJZOOIBB-YLJYHZDGSA-N	1	1	372.513	2.467	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@H](C)c1cccc(O)c1	ZINC000245563293	548947757	/nfs/dbraw/zinc/94/77/57/548947757.db2.gz	PTNONAZJZOOIBB-YLJYHZDGSA-N	1	1	372.513	2.467	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000245625111	548960820	/nfs/dbraw/zinc/96/08/20/548960820.db2.gz	OUDOHIAYHVXFIV-ALKREAHSSA-N	1	1	366.465	2.361	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000245625111	548960825	/nfs/dbraw/zinc/96/08/25/548960825.db2.gz	OUDOHIAYHVXFIV-ALKREAHSSA-N	1	1	366.465	2.361	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc(C#N)c2C)CC1=O	ZINC000245668565	548970109	/nfs/dbraw/zinc/97/01/09/548970109.db2.gz	BSRIZBVBJMJJPE-IRXDYDNUSA-N	1	1	354.454	2.138	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1	ZINC000245842809	549002996	/nfs/dbraw/zinc/00/29/96/549002996.db2.gz	HSHXCCXHNRLVKK-SJORKVTESA-N	1	1	356.470	2.136	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2c2cccn2C)CC1	ZINC000246019428	549037874	/nfs/dbraw/zinc/03/78/74/549037874.db2.gz	LFGJPQQLZKCCGV-VQTJNVASSA-N	1	1	371.529	2.244	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2c2cccn2C)CC1	ZINC000246019428	549037880	/nfs/dbraw/zinc/03/78/80/549037880.db2.gz	LFGJPQQLZKCCGV-VQTJNVASSA-N	1	1	371.529	2.244	20	30		FEEDMO
COc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1	ZINC000246203358	549076751	/nfs/dbraw/zinc/07/67/51/549076751.db2.gz	YAMZDMFNPBOUGR-YLJYHZDGSA-N	1	1	372.513	2.380	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@H]1[NH+]1CCOCC1	ZINC000246468525	549140515	/nfs/dbraw/zinc/14/05/15/549140515.db2.gz	FVQJVDKPKLBWIW-BHIYHBOVSA-N	1	1	356.470	2.394	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1	ZINC000246715244	549194171	/nfs/dbraw/zinc/19/41/71/549194171.db2.gz	MENRQULVBBANPD-UXHICEINSA-N	1	1	369.513	2.138	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)N[C@](C)(C#N)C1CC1	ZINC000247142201	549290863	/nfs/dbraw/zinc/29/08/63/549290863.db2.gz	YAFYDFMNDPVIQI-DYESRHJHSA-N	1	1	354.498	2.391	20	30		FEEDMO
CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cnc(C)c(C#N)c2)C1	ZINC000489248577	561406519	/nfs/dbraw/zinc/40/65/19/561406519.db2.gz	GXZGJXGFOWFNKR-HNNXBMFYSA-N	1	1	364.515	2.441	20	30		FEEDMO
C[C@@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC[N@H+]1Cc1ccccc1	ZINC000247705065	549373217	/nfs/dbraw/zinc/37/32/17/549373217.db2.gz	YRCYEDCWTWCRNB-DYESRHJHSA-N	1	1	354.498	2.391	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000249077362	549547487	/nfs/dbraw/zinc/54/74/87/549547487.db2.gz	LYKJYJIEEFPLPK-OLMNPRSZSA-N	1	1	355.438	2.185	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000249077362	549547491	/nfs/dbraw/zinc/54/74/91/549547491.db2.gz	LYKJYJIEEFPLPK-OLMNPRSZSA-N	1	1	355.438	2.185	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000249144667	549560183	/nfs/dbraw/zinc/56/01/83/549560183.db2.gz	GELVSELWBOTGLW-RYUDHWBXSA-N	1	1	357.426	2.235	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000249144667	549560187	/nfs/dbraw/zinc/56/01/87/549560187.db2.gz	GELVSELWBOTGLW-RYUDHWBXSA-N	1	1	357.426	2.235	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1C#N	ZINC000249170675	549563983	/nfs/dbraw/zinc/56/39/83/549563983.db2.gz	LFGVRBJVFQDEAE-WMLDXEAASA-N	1	1	372.469	2.083	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1	ZINC000249172072	549564062	/nfs/dbraw/zinc/56/40/62/549564062.db2.gz	LKIDJHDABLENML-MAUKXSAKSA-N	1	1	359.470	2.379	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)c1ccc(C#N)c(F)c1)CCC(F)(F)F	ZINC000489800840	561419408	/nfs/dbraw/zinc/41/94/08/561419408.db2.gz	YDZJWJGDXNOFRY-UHFFFAOYSA-N	1	1	367.368	2.250	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1ccc(C#N)c(F)c1)CCC(F)(F)F	ZINC000489800840	561419409	/nfs/dbraw/zinc/41/94/09/561419409.db2.gz	YDZJWJGDXNOFRY-UHFFFAOYSA-N	1	1	367.368	2.250	20	30		FEEDMO
C=CCOc1ccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1OC	ZINC000261982897	549777440	/nfs/dbraw/zinc/77/74/40/549777440.db2.gz	JKRAPBBEKGGXIT-KRWDZBQOSA-N	1	1	361.486	2.080	20	30		FEEDMO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1CCN(Cc2ccccn2)CC1	ZINC000262389646	549816021	/nfs/dbraw/zinc/81/60/21/549816021.db2.gz	LYKFUTNQJYBULR-OTWHNJEPSA-N	1	1	371.529	2.025	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](CC)[C@H](N2CCOCC2)C1	ZINC000490415570	561432686	/nfs/dbraw/zinc/43/26/86/561432686.db2.gz	KGNCRKPHAGZDPA-CEWLAPEOSA-N	1	1	374.525	2.197	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+]1CCSCC1	ZINC000491034594	561442118	/nfs/dbraw/zinc/44/21/18/561442118.db2.gz	HYPXPHQNFWRARQ-UHFFFAOYSA-N	1	1	364.471	2.341	20	30		FEEDMO
COc1cc(CNC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1C#N	ZINC000491124761	561443149	/nfs/dbraw/zinc/44/31/49/561443149.db2.gz	WBTMEYBHUAWJOC-IIDMSEBBSA-N	1	1	356.470	2.439	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000269061583	550150301	/nfs/dbraw/zinc/15/03/01/550150301.db2.gz	ZYRVHRPEQWMOEC-OAHLLOKOSA-N	1	1	363.893	2.263	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000269076953	550151792	/nfs/dbraw/zinc/15/17/92/550151792.db2.gz	GXIQRRXCCXDYHN-CQSZACIVSA-N	1	1	362.861	2.244	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)[N@H+]1CCC[C@H](C)C1	ZINC000269108972	550156309	/nfs/dbraw/zinc/15/63/09/550156309.db2.gz	PWEIKSVJHHOPDE-QWHCGFSZSA-N	1	1	362.861	2.387	20	30		FEEDMO
COc1ccc([C@H](C#N)N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)cc1	ZINC000492817531	561452900	/nfs/dbraw/zinc/45/29/00/561452900.db2.gz	KVHSRHYMFPQSKW-UXHICEINSA-N	1	1	368.481	2.031	20	30		FEEDMO
N#Cc1ccc(C[NH2+]CC(=O)N2CCN(c3ccccc3)CC2)c(F)c1	ZINC000269397661	550191023	/nfs/dbraw/zinc/19/10/23/550191023.db2.gz	FIANHZCFZOJYFK-UHFFFAOYSA-N	1	1	352.413	2.136	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1C#N	ZINC000269411859	550192181	/nfs/dbraw/zinc/19/21/81/550192181.db2.gz	ZWTAXRIZPDVACL-IRXDYDNUSA-N	1	1	370.453	2.027	20	30		FEEDMO
C#CC[C@H](NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1	ZINC000270478422	550275978	/nfs/dbraw/zinc/27/59/78/550275978.db2.gz	WFMNZWNDEOLZNT-ICSRJNTNSA-N	1	1	356.514	2.324	20	30		FEEDMO
N#Cc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1	ZINC000270572761	550284772	/nfs/dbraw/zinc/28/47/72/550284772.db2.gz	BUPDJVMQBKEWNS-SFTDATJTSA-N	1	1	363.461	2.100	20	30		FEEDMO
N#CCc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1	ZINC000270810415	550309183	/nfs/dbraw/zinc/30/91/83/550309183.db2.gz	GYEJJWABDOYKKB-RTWAWAEBSA-N	1	1	363.461	2.365	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCc2cc[nH]c(=O)c2C1	ZINC000494122810	561462901	/nfs/dbraw/zinc/46/29/01/561462901.db2.gz	CRUABWYLLGEPJI-RDYUPDBUSA-N	1	1	356.470	2.465	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCc2cc[nH]c(=O)c2C1	ZINC000494122810	561462902	/nfs/dbraw/zinc/46/29/02/561462902.db2.gz	CRUABWYLLGEPJI-RDYUPDBUSA-N	1	1	356.470	2.465	20	30		FEEDMO
C=CCN(C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1	ZINC000271569137	550386537	/nfs/dbraw/zinc/38/65/37/550386537.db2.gz	PJAXQNGFLVDEPH-GOSISDBHSA-N	1	1	370.497	2.244	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000271811992	550403486	/nfs/dbraw/zinc/40/34/86/550403486.db2.gz	MEJJGEVCGFTODU-HNNXBMFYSA-N	1	1	367.515	2.012	20	30		FEEDMO
C#CCCN1CC[NH+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1	ZINC000272003599	550415968	/nfs/dbraw/zinc/41/59/68/550415968.db2.gz	INOWDCXHOLROAN-APWZRJJASA-N	1	1	350.890	2.419	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)[C@@H]2C1	ZINC000272358760	550440588	/nfs/dbraw/zinc/44/05/88/550440588.db2.gz	RVNWMWNHXRAYJC-GDBMZVCRSA-N	1	1	372.494	2.183	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1	ZINC000273018033	550480757	/nfs/dbraw/zinc/48/07/57/550480757.db2.gz	SXESXEPPXWPZES-INIZCTEOSA-N	1	1	356.470	2.367	20	30		FEEDMO
N#Cc1ccc(/C=C/C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000273135081	550486822	/nfs/dbraw/zinc/48/68/22/550486822.db2.gz	SGTXPCUSWMAWDP-GLCJEOIMSA-N	1	1	361.445	2.454	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1OCCCC#N	ZINC000273809613	550512103	/nfs/dbraw/zinc/51/21/03/550512103.db2.gz	YTURPWCWMZSLFY-KRWDZBQOSA-N	1	1	372.469	2.414	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1OCCCC#N	ZINC000273809613	550512105	/nfs/dbraw/zinc/51/21/05/550512105.db2.gz	YTURPWCWMZSLFY-KRWDZBQOSA-N	1	1	372.469	2.414	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000276513645	550578850	/nfs/dbraw/zinc/57/88/50/550578850.db2.gz	XWMJTAYJYQHCPP-HZPDHXFCSA-N	1	1	359.470	2.269	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCc2cc[nH]c(=O)c2C1	ZINC000276995946	550619626	/nfs/dbraw/zinc/61/96/26/550619626.db2.gz	VMFIQAMPDXTFIZ-HNNXBMFYSA-N	1	1	350.422	2.481	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCc2cc[nH]c(=O)c2C1	ZINC000276995946	550619627	/nfs/dbraw/zinc/61/96/27/550619627.db2.gz	VMFIQAMPDXTFIZ-HNNXBMFYSA-N	1	1	350.422	2.481	20	30		FEEDMO
CCCn1ccnc1CCC[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1	ZINC000277236117	550646468	/nfs/dbraw/zinc/64/64/68/550646468.db2.gz	PDMDJEOXIAJKQN-UHFFFAOYSA-N	1	1	353.470	2.346	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH+]1CCC(CO)(Cc2ccccc2)CC1)C1CC1	ZINC000277650648	550696828	/nfs/dbraw/zinc/69/68/28/550696828.db2.gz	CYLOBYQVLDWSRV-HXUWFJFHSA-N	1	1	355.482	2.112	20	30		FEEDMO
C#CCN1CCC(c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)CC1	ZINC000277760235	550710980	/nfs/dbraw/zinc/71/09/80/550710980.db2.gz	CZQKIDHKRVOPGT-UHFFFAOYSA-N	1	1	354.454	2.490	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000278485270	550791477	/nfs/dbraw/zinc/79/14/77/550791477.db2.gz	LGURWTNCQMTXED-BBOMDTFKSA-N	1	1	369.465	2.314	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)ccc1Cl	ZINC000278890152	550832939	/nfs/dbraw/zinc/83/29/39/550832939.db2.gz	ODSHDISYANEPGL-LJQANCHMSA-N	1	1	374.872	2.107	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)ccc1Cl	ZINC000278890152	550832940	/nfs/dbraw/zinc/83/29/40/550832940.db2.gz	ODSHDISYANEPGL-LJQANCHMSA-N	1	1	374.872	2.107	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@]3(CNC(=O)C3)C2)sc2c1CCCC2	ZINC000278919329	550835958	/nfs/dbraw/zinc/83/59/58/550835958.db2.gz	RIMJQXGAZUWDEK-IBGZPJMESA-N	1	1	372.494	2.039	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)s1	ZINC000279313424	550876724	/nfs/dbraw/zinc/87/67/24/550876724.db2.gz	RPRVMYUVYKPQRC-CYBMUJFWSA-N	1	1	350.488	2.066	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)s1	ZINC000279313424	550876725	/nfs/dbraw/zinc/87/67/25/550876725.db2.gz	RPRVMYUVYKPQRC-CYBMUJFWSA-N	1	1	350.488	2.066	20	30		FEEDMO
C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000279384896	550884234	/nfs/dbraw/zinc/88/42/34/550884234.db2.gz	JRURSHOBARNQSU-QGZVFWFLSA-N	1	1	368.485	2.011	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)n1	ZINC000279428673	550889298	/nfs/dbraw/zinc/88/92/98/550889298.db2.gz	JBLCVEBZHDVABI-UHFFFAOYSA-N	1	1	371.460	2.319	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3ccc(=O)[nH]c3)CC2)cc1	ZINC000279656538	550913412	/nfs/dbraw/zinc/91/34/12/550913412.db2.gz	CNPYKBWZFGOCOL-UHFFFAOYSA-N	1	1	364.449	2.326	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)CN2CCOCC2)c1C	ZINC000279737950	550923341	/nfs/dbraw/zinc/92/33/41/550923341.db2.gz	OJNNWNLAUBUAIO-SFHVURJKSA-N	1	1	372.513	2.203	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)CN2CCOCC2)c1C	ZINC000279737950	550923343	/nfs/dbraw/zinc/92/33/43/550923343.db2.gz	OJNNWNLAUBUAIO-SFHVURJKSA-N	1	1	372.513	2.203	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNc1nc2c(c(C#N)c1C#N)CCCCCC2	ZINC000280705566	551023586	/nfs/dbraw/zinc/02/35/86/551023586.db2.gz	KPRPBTUCVMJHCW-OAHLLOKOSA-N	1	1	352.486	2.142	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1	ZINC000281029362	551056266	/nfs/dbraw/zinc/05/62/66/551056266.db2.gz	QDXCXAIQEMRSDP-SFHVURJKSA-N	1	1	354.454	2.410	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1=O	ZINC000281197539	551072928	/nfs/dbraw/zinc/07/29/28/551072928.db2.gz	CDIQMEVWKUJMNT-QGTPRVQTSA-N	1	1	366.889	2.497	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000281239905	551077058	/nfs/dbraw/zinc/07/70/58/551077058.db2.gz	ULPXBCPDMOWMHD-LJQANCHMSA-N	1	1	374.510	2.285	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000281239905	551077060	/nfs/dbraw/zinc/07/70/60/551077060.db2.gz	ULPXBCPDMOWMHD-LJQANCHMSA-N	1	1	374.510	2.285	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1	ZINC000281449436	551099038	/nfs/dbraw/zinc/09/90/38/551099038.db2.gz	UPRUSTRUPYLLRR-FMKPAKJESA-N	1	1	363.483	2.082	20	30		FEEDMO
COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1C#N	ZINC000281458222	551100014	/nfs/dbraw/zinc/10/00/14/551100014.db2.gz	ARSMTWZBSIYPDM-FQEVSTJZSA-N	1	1	351.450	2.423	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1	ZINC000281658187	551126922	/nfs/dbraw/zinc/12/69/22/551126922.db2.gz	YWTURVOYXMMDML-UFYCRDLUSA-N	1	1	357.498	2.073	20	30		FEEDMO
CC[N@@H+](CCOCCO)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000281883159	551152744	/nfs/dbraw/zinc/15/27/44/551152744.db2.gz	ALAUBNOVSZUVJX-GOSISDBHSA-N	1	1	361.486	2.269	20	30		FEEDMO
C=CCn1c(-c2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1	ZINC000282713664	551262848	/nfs/dbraw/zinc/26/28/48/551262848.db2.gz	VXJXFMNPJUIMMI-UHFFFAOYSA-N	1	1	356.474	2.073	20	30		FEEDMO
C=CCn1c(-c2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1	ZINC000282713664	551262850	/nfs/dbraw/zinc/26/28/50/551262850.db2.gz	VXJXFMNPJUIMMI-UHFFFAOYSA-N	1	1	356.474	2.073	20	30		FEEDMO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2ccco2)CC1	ZINC000282849035	551277527	/nfs/dbraw/zinc/27/75/27/551277527.db2.gz	LJMCLZAQTYYLRJ-UHFFFAOYSA-N	1	1	367.457	2.170	20	30		FEEDMO
COc1nnc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1	ZINC000282857008	551278565	/nfs/dbraw/zinc/27/85/65/551278565.db2.gz	PYUHMQVOEPGWLB-UHFFFAOYSA-N	1	1	372.454	2.158	20	30		FEEDMO
COc1nnc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1	ZINC000282857008	551278567	/nfs/dbraw/zinc/27/85/67/551278567.db2.gz	PYUHMQVOEPGWLB-UHFFFAOYSA-N	1	1	372.454	2.158	20	30		FEEDMO
C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000282960428	551290043	/nfs/dbraw/zinc/29/00/43/551290043.db2.gz	OAKHEDRJGLLYRX-MRXNPFEDSA-N	1	1	356.474	2.008	20	30		FEEDMO
Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccc(C#N)cc1	ZINC000283761925	551423369	/nfs/dbraw/zinc/42/33/69/551423369.db2.gz	NCMOPLCHOAXJNP-CEXWTWQISA-N	1	1	364.449	2.352	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1	ZINC000284400032	551541208	/nfs/dbraw/zinc/54/12/08/551541208.db2.gz	JBLJNIDZILARAD-QGZVFWFLSA-N	1	1	370.497	2.145	20	30		FEEDMO
C=CCSCCNC(=O)C(=O)NCc1ccccc1C[N@H+](C)C(C)C	ZINC000284570062	551579726	/nfs/dbraw/zinc/57/97/26/551579726.db2.gz	USVKUALCNOORNT-UHFFFAOYSA-N	1	1	363.527	2.178	20	30		FEEDMO
CCCN(CC#N)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000284599261	551586766	/nfs/dbraw/zinc/58/67/66/551586766.db2.gz	BONULNZESYBIBJ-UXHICEINSA-N	1	1	365.481	2.398	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O	ZINC000284900349	551662365	/nfs/dbraw/zinc/66/23/65/551662365.db2.gz	SZAIPFKBNIHKBZ-ZESCBINXSA-N	1	1	357.454	2.137	20	30		FEEDMO
Cc1onc(CC(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1C#N	ZINC000498540269	561527445	/nfs/dbraw/zinc/52/74/45/561527445.db2.gz	MXZFWJVQFXXJQH-UHFFFAOYSA-N	1	1	353.357	2.347	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21	ZINC000286245794	551865280	/nfs/dbraw/zinc/86/52/80/551865280.db2.gz	ZTXUGQLFPYXOGB-AFYVEPGGSA-N	1	1	355.482	2.499	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000287211352	551976610	/nfs/dbraw/zinc/97/66/10/551976610.db2.gz	IKHOEDZESQVXJM-MRXNPFEDSA-N	1	1	372.904	2.466	20	30		FEEDMO
C=CCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000288171172	552103898	/nfs/dbraw/zinc/10/38/98/552103898.db2.gz	MPYMPHPRMRRHCL-MJGOQNOKSA-N	1	1	357.498	2.486	20	30		FEEDMO
N#CC1(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCOCC1	ZINC000288258764	552120947	/nfs/dbraw/zinc/12/09/47/552120947.db2.gz	GKWVBXRHSZLBEA-HXUWFJFHSA-N	1	1	353.466	2.431	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000288617532	552185566	/nfs/dbraw/zinc/18/55/66/552185566.db2.gz	ZXIKAQKEJWCAIZ-UHFFFAOYSA-N	1	1	354.410	2.070	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(/C=C/C)cc2OC)C1=O	ZINC000500019138	561564169	/nfs/dbraw/zinc/56/41/69/561564169.db2.gz	MVVXAKUXOOAGBL-KEEVIKFDSA-N	1	1	374.481	2.187	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000288933223	552238846	/nfs/dbraw/zinc/23/88/46/552238846.db2.gz	WZDNZGCFQFULSL-AWEZNQCLSA-N	1	1	361.490	2.290	20	30		FEEDMO
COCCOCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000289069279	552261358	/nfs/dbraw/zinc/26/13/58/552261358.db2.gz	RYQFZVLJYBQSGC-HNNXBMFYSA-N	1	1	351.422	2.056	20	30		FEEDMO
COCCOCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000289069279	552261359	/nfs/dbraw/zinc/26/13/59/552261359.db2.gz	RYQFZVLJYBQSGC-HNNXBMFYSA-N	1	1	351.422	2.056	20	30		FEEDMO
N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000289495631	552331179	/nfs/dbraw/zinc/33/11/79/552331179.db2.gz	PNUFCOSPPJYACO-AWEZNQCLSA-N	1	1	355.360	2.328	20	30		FEEDMO
C=CCn1c(-c2ccccc2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1	ZINC000289562902	552341397	/nfs/dbraw/zinc/34/13/97/552341397.db2.gz	GEFNWGVAKREEPG-LJQANCHMSA-N	1	1	366.513	2.347	20	30		FEEDMO
CCS[C@H]1CCCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000290203948	552441891	/nfs/dbraw/zinc/44/18/91/552441891.db2.gz	GXCIISVUNDIWAH-HNNXBMFYSA-N	1	1	353.513	2.335	20	30		FEEDMO
CCS[C@H]1CCCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000290203948	552441894	/nfs/dbraw/zinc/44/18/94/552441894.db2.gz	GXCIISVUNDIWAH-HNNXBMFYSA-N	1	1	353.513	2.335	20	30		FEEDMO
CC[C@H](NC(=O)c1cc(C#N)ccn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000501290916	561594477	/nfs/dbraw/zinc/59/44/77/561594477.db2.gz	RZUDPLMAYFLCAR-AZUAARDMSA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@H](NC(=O)c1cc(C#N)ccn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000501290916	561594478	/nfs/dbraw/zinc/59/44/78/561594478.db2.gz	RZUDPLMAYFLCAR-AZUAARDMSA-N	1	1	364.449	2.363	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000291636950	552646279	/nfs/dbraw/zinc/64/62/79/552646279.db2.gz	BZNUORNUOFBJKV-ROUUACIJSA-N	1	1	371.485	2.236	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](n3cccn3)C2)c(OC)c1	ZINC000292014056	552684854	/nfs/dbraw/zinc/68/48/54/552684854.db2.gz	XXUXJAWFWXBIMH-QZTJIDSGSA-N	1	1	357.454	2.307	20	30		FEEDMO
CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292082684	552691858	/nfs/dbraw/zinc/69/18/58/552691858.db2.gz	DRWAMNUEMOVJKN-SFHVURJKSA-N	1	1	368.412	2.204	20	30		FEEDMO
CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292082684	552691859	/nfs/dbraw/zinc/69/18/59/552691859.db2.gz	DRWAMNUEMOVJKN-SFHVURJKSA-N	1	1	368.412	2.204	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(OC)c1	ZINC000292147863	552698408	/nfs/dbraw/zinc/69/84/08/552698408.db2.gz	NEANFMYYSNLOKG-WIYYLYMNSA-N	1	1	360.498	2.191	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(OC)c1	ZINC000292147863	552698410	/nfs/dbraw/zinc/69/84/10/552698410.db2.gz	NEANFMYYSNLOKG-WIYYLYMNSA-N	1	1	360.498	2.191	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@@H](C)C1	ZINC000292839237	552763784	/nfs/dbraw/zinc/76/37/84/552763784.db2.gz	VOUBALNFMMGKFW-JXFKEZNVSA-N	1	1	372.513	2.491	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1cccs1	ZINC000293040986	552783155	/nfs/dbraw/zinc/78/31/55/552783155.db2.gz	PYLDOIZCTGQYMY-CQSZACIVSA-N	1	1	353.444	2.340	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1cccs1	ZINC000293040982	552783159	/nfs/dbraw/zinc/78/31/59/552783159.db2.gz	PYLDOIZCTGQYMY-AWEZNQCLSA-N	1	1	353.444	2.340	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C#N)cn1	ZINC000293073680	552786340	/nfs/dbraw/zinc/78/63/40/552786340.db2.gz	PVBQWBLWJMGCKX-UHFFFAOYSA-N	1	1	365.437	2.048	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1C#N	ZINC000293335257	552812692	/nfs/dbraw/zinc/81/26/92/552812692.db2.gz	DHQBRRUTFKNSQX-AWEZNQCLSA-N	1	1	354.454	2.138	20	30		FEEDMO
Cc1ccc(-c2noc(CN3CC[NH+](CCOCCC#N)CC3)n2)cc1	ZINC000293432881	552823154	/nfs/dbraw/zinc/82/31/54/552823154.db2.gz	JMAVLLRXXGSGBW-UHFFFAOYSA-N	1	1	355.442	2.093	20	30		FEEDMO
C[NH+](C)[C@@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000293824084	552859620	/nfs/dbraw/zinc/85/96/20/552859620.db2.gz	VHZQYQVAZLLOTK-PKOBYXMFSA-N	1	1	350.422	2.236	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC	ZINC000293912785	552867339	/nfs/dbraw/zinc/86/73/39/552867339.db2.gz	GFRKMNDEZIWRMU-UHFFFAOYSA-N	1	1	365.455	2.018	20	30		FEEDMO
CCOc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)on1	ZINC000294233676	552889947	/nfs/dbraw/zinc/88/99/47/552889947.db2.gz	BUYOPOXLTDHGFP-UHFFFAOYSA-N	1	1	354.410	2.293	20	30		FEEDMO
CCOc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)on1	ZINC000294233676	552889949	/nfs/dbraw/zinc/88/99/49/552889949.db2.gz	BUYOPOXLTDHGFP-UHFFFAOYSA-N	1	1	354.410	2.293	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCN(C)c1ncc(Br)cc1C#N	ZINC000295692701	553045510	/nfs/dbraw/zinc/04/55/10/553045510.db2.gz	ORBBMSZZHCVGJB-UHFFFAOYSA-N	1	1	354.296	2.035	20	30		FEEDMO
CN(CCCN(C)c1ncc(Br)cc1C#N)CC[NH+](C)C	ZINC000295692701	553045511	/nfs/dbraw/zinc/04/55/11/553045511.db2.gz	ORBBMSZZHCVGJB-UHFFFAOYSA-N	1	1	354.296	2.035	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](CCC)[C@@H](C)CC(=O)Nc1ccccc1	ZINC000502939781	561630542	/nfs/dbraw/zinc/63/05/42/561630542.db2.gz	MYYANRLXKOPDIL-HNNXBMFYSA-N	1	1	360.458	2.128	20	30		FEEDMO
CC[N@@H+](CCNC(=O)N1CCC(C#N)(COC)CC1)CCC(F)(F)F	ZINC000503113101	561634494	/nfs/dbraw/zinc/63/44/94/561634494.db2.gz	VCRFXBRGIOZBOW-UHFFFAOYSA-N	1	1	364.412	2.222	20	30		FEEDMO
C[C@@H](C#N)N(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000297929439	553358803	/nfs/dbraw/zinc/35/88/03/553358803.db2.gz	SAUKKYPEJLQHGQ-IPELMVKDSA-N	1	1	351.454	2.006	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)NCCC[NH+]2CCOCC2)cc1OC	ZINC000298236932	553401976	/nfs/dbraw/zinc/40/19/76/553401976.db2.gz	IQNPWQNJERFBQW-SOFGYWHQSA-N	1	1	360.454	2.112	20	30		FEEDMO
C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000299191393	553527533	/nfs/dbraw/zinc/52/75/33/553527533.db2.gz	HRFDNFQYJRGVGY-FUHIMQAGSA-N	1	1	370.497	2.460	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000299347897	553551428	/nfs/dbraw/zinc/55/14/28/553551428.db2.gz	GWYJREFZJUAUFI-FQEVSTJZSA-N	1	1	374.504	2.243	20	30		FEEDMO
N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cn4cccnc4n3)CC2)c1	ZINC000299662238	553598924	/nfs/dbraw/zinc/59/89/24/553598924.db2.gz	RWICBLXTICHAAG-UHFFFAOYSA-N	1	1	360.421	2.452	20	30		FEEDMO
CCCC[N@@H+](C)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000504428408	561658077	/nfs/dbraw/zinc/65/80/77/561658077.db2.gz	YKDKHEWHKKTQQK-SFHVURJKSA-N	1	1	371.485	2.085	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000302708892	553727580	/nfs/dbraw/zinc/72/75/80/553727580.db2.gz	YXXNJRLWSLJZAR-CYBMUJFWSA-N	1	1	369.425	2.296	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1	ZINC000328255221	553793310	/nfs/dbraw/zinc/79/33/10/553793310.db2.gz	CDPZBGQIKPDYCD-GUDVDZBRSA-N	1	1	362.495	2.347	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1	ZINC000328255221	553793313	/nfs/dbraw/zinc/79/33/13/553793313.db2.gz	CDPZBGQIKPDYCD-GUDVDZBRSA-N	1	1	362.495	2.347	20	30		FEEDMO
CCc1cc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[N@H+](CC)C3)C2)ncn1	ZINC000328713231	553811065	/nfs/dbraw/zinc/81/10/65/553811065.db2.gz	NTLNCZXLNJHMDQ-AEFFLSMTSA-N	1	1	374.533	2.243	20	30		FEEDMO
CC[N@H+]1CC[C@H]2OCCN(CC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)[C@H]2C1	ZINC000328796577	553823350	/nfs/dbraw/zinc/82/33/50/553823350.db2.gz	UYWJMMMROBVLHG-VVLHAWIVSA-N	1	1	366.506	2.231	20	30		FEEDMO
CN(C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1	ZINC000328891336	553839635	/nfs/dbraw/zinc/83/96/35/553839635.db2.gz	SHSWKVZCYRFCAA-IRXDYDNUSA-N	1	1	371.547	2.064	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1C	ZINC000328977538	553857278	/nfs/dbraw/zinc/85/72/78/553857278.db2.gz	QLDXAXSMRQAYNO-IRXDYDNUSA-N	1	1	359.518	2.375	20	30		FEEDMO
CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCN(Cc3ccccn3)CC2)C[C@@H]1C	ZINC000328977538	553857280	/nfs/dbraw/zinc/85/72/80/553857280.db2.gz	QLDXAXSMRQAYNO-IRXDYDNUSA-N	1	1	359.518	2.375	20	30		FEEDMO
C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O)[N@H+]1CCC[C@@H](C)C1	ZINC000329036995	553869028	/nfs/dbraw/zinc/86/90/28/553869028.db2.gz	NDWPWGYFDFAHMT-NUABRCLCSA-N	1	1	367.534	2.273	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1	ZINC000329076743	553875925	/nfs/dbraw/zinc/87/59/25/553875925.db2.gz	PVQBPVGNCPCSOI-XOYOTBSWSA-N	1	1	351.491	2.067	20	30		FEEDMO
CNC(=O)Cc1noc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)n1	ZINC000329101411	553880646	/nfs/dbraw/zinc/88/06/46/553880646.db2.gz	ZRNXEVAETATNHQ-OWCLPIDISA-N	1	1	356.426	2.203	20	30		FEEDMO
C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[C@H](c2ccccc2)C1	ZINC000329141393	553888026	/nfs/dbraw/zinc/88/80/26/553888026.db2.gz	KHGNHJABTJKVGW-WSTZPKSXSA-N	1	1	359.470	2.227	20	30		FEEDMO
C[N@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[C@H](c2ccccc2)C1	ZINC000329141393	553888029	/nfs/dbraw/zinc/88/80/29/553888029.db2.gz	KHGNHJABTJKVGW-WSTZPKSXSA-N	1	1	359.470	2.227	20	30		FEEDMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC000329204456	553901588	/nfs/dbraw/zinc/90/15/88/553901588.db2.gz	YWFQSSUIXITEMU-JKSUJKDBSA-N	1	1	350.507	2.108	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1	ZINC000329256231	553912088	/nfs/dbraw/zinc/91/20/88/553912088.db2.gz	XLYKVBNQHJUAKX-NWDGAFQWSA-N	1	1	362.405	2.049	20	30		FEEDMO
Cc1cc(OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c(C)c(C)c1C#N	ZINC000506421684	561698403	/nfs/dbraw/zinc/69/84/03/561698403.db2.gz	LDEGFDZUNNCPAV-SFHVURJKSA-N	1	1	373.497	2.335	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3cc(F)cc4c3OCOC4)[C@H]2C1	ZINC000329299040	553920273	/nfs/dbraw/zinc/92/02/73/553920273.db2.gz	UXHRJRHQAWNQGF-DYVFJYSZSA-N	1	1	363.433	2.175	20	30		FEEDMO
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1	ZINC000329338551	553928269	/nfs/dbraw/zinc/92/82/69/553928269.db2.gz	NDWOFMLQLPAQFG-CABCVRRESA-N	1	1	365.499	2.269	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)Nc1ccc2c(c1)OCCO2	ZINC000329352002	553930214	/nfs/dbraw/zinc/93/02/14/553930214.db2.gz	FPBWZLRNIOYAAT-HNNXBMFYSA-N	1	1	373.453	2.380	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)Nc1ccc2c(c1)OCCO2	ZINC000329352002	553930215	/nfs/dbraw/zinc/93/02/15/553930215.db2.gz	FPBWZLRNIOYAAT-HNNXBMFYSA-N	1	1	373.453	2.380	20	30		FEEDMO
O=C(NCc1ccc2c(c1)OCO2)N1CCCC[C@H]1C[NH+]1CCOCC1	ZINC000329356389	553930712	/nfs/dbraw/zinc/93/07/12/553930712.db2.gz	HBHWKKDFFGLEDE-INIZCTEOSA-N	1	1	361.442	2.016	20	30		FEEDMO
N#Cc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)nc2ccccc12	ZINC000329562775	553968053	/nfs/dbraw/zinc/96/80/53/553968053.db2.gz	GPEWYEVYOTURJA-LJQANCHMSA-N	1	1	354.479	2.726	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1ncn(C(C)(C)C)n1)[N@@H+]1CCc2sccc2C1	ZINC000329590653	553973159	/nfs/dbraw/zinc/97/31/59/553973159.db2.gz	YORGSGOSAPKIPU-LBPRGKRZSA-N	1	1	362.503	2.867	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1ncn(C(C)(C)C)n1)[N@H+]1CCc2sccc2C1	ZINC000329590653	553973160	/nfs/dbraw/zinc/97/31/60/553973160.db2.gz	YORGSGOSAPKIPU-LBPRGKRZSA-N	1	1	362.503	2.867	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2cn(C)nc2C2CC2)C[C@@H](C)O1	ZINC000329598260	553974623	/nfs/dbraw/zinc/97/46/23/553974623.db2.gz	DCDNWCSQKDEZSJ-IIAWOOMASA-N	1	1	361.490	2.417	20	30		FEEDMO
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C	ZINC000329608086	553975940	/nfs/dbraw/zinc/97/59/40/553975940.db2.gz	MZTSTRJDSSGGGN-XDNAFOTISA-N	1	1	353.507	2.289	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCCS2(=O)=O)C1	ZINC000329628218	553978951	/nfs/dbraw/zinc/97/89/51/553978951.db2.gz	HEBLKECTXSVDRN-OWCLPIDISA-N	1	1	373.563	2.214	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1	ZINC000329669035	553986156	/nfs/dbraw/zinc/98/61/56/553986156.db2.gz	MCUOKZPMHILBIU-HOTGVXAUSA-N	1	1	374.485	2.258	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1)Nc1ccc2c(c1)OCO2	ZINC000329733918	553997399	/nfs/dbraw/zinc/99/73/99/553997399.db2.gz	RBJIFIXQSVCKMX-AWEZNQCLSA-N	1	1	359.426	2.338	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)Nc1ccc2c(c1)OCO2	ZINC000329733918	553997402	/nfs/dbraw/zinc/99/74/02/553997402.db2.gz	RBJIFIXQSVCKMX-AWEZNQCLSA-N	1	1	359.426	2.338	20	30		FEEDMO
CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1	ZINC000329797675	554007992	/nfs/dbraw/zinc/00/79/92/554007992.db2.gz	HKIJPKKSIYSTHX-HCXYKTFWSA-N	1	1	365.518	2.359	20	30		FEEDMO
CC1(C)NC(=O)N(c2cccc(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)c2)C1=O	ZINC000329822849	554013030	/nfs/dbraw/zinc/01/30/30/554013030.db2.gz	QDONAPRVQZPKOH-HNNXBMFYSA-N	1	1	371.441	2.051	20	30		FEEDMO
Cn1ccnc(N2CCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)c1=O	ZINC000329834091	554015163	/nfs/dbraw/zinc/01/51/63/554015163.db2.gz	LMYWGOOUKGJUTF-RDJZCZTQSA-N	1	1	373.501	2.113	20	30		FEEDMO
O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@@H]1CCO[C@]2(CCSC2)C1	ZINC000329897347	554027093	/nfs/dbraw/zinc/02/70/93/554027093.db2.gz	LHDVWUAYTMDBBY-JJRVBVJISA-N	1	1	350.488	2.004	20	30		FEEDMO
Cc1c([C@@H]2[C@H](C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC(=O)N2C)cnn1C	ZINC000329900314	554027724	/nfs/dbraw/zinc/02/77/24/554027724.db2.gz	NPPBJFUCCDUDFS-OKMQIQTRSA-N	1	1	373.501	2.220	20	30		FEEDMO
CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)NCC2(C)CCC2)cc[nH+]1	ZINC000329958433	554039059	/nfs/dbraw/zinc/03/90/59/554039059.db2.gz	QQUCZAMJPDHACP-KBPBESRZSA-N	1	1	364.469	2.153	20	30		FEEDMO
CO[C@]1(C)CCCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	ZINC000329965187	554040406	/nfs/dbraw/zinc/04/04/06/554040406.db2.gz	UZHRMZCERZXILQ-GOSISDBHSA-N	1	1	353.507	2.436	20	30		FEEDMO
CO[C@@H]1CC[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)C1	ZINC000329991250	554045721	/nfs/dbraw/zinc/04/57/21/554045721.db2.gz	WUKGOLACPFZRCQ-DZOHQFGASA-N	1	1	363.506	2.216	20	30		FEEDMO
O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cn([C@@H]2CCOC2)nn1	ZINC000330073090	554059483	/nfs/dbraw/zinc/05/94/83/554059483.db2.gz	ZOFFZAZIZZCOCL-IAGOWNOFSA-N	1	1	355.442	2.209	20	30		FEEDMO
CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCCSC3)CC2)cn1	ZINC000330138747	554071755	/nfs/dbraw/zinc/07/17/55/554071755.db2.gz	VTBKVEGFVKKVOU-INIZCTEOSA-N	1	1	351.520	2.220	20	30		FEEDMO
CCn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCSC3)CC2)cn1	ZINC000330138747	554071756	/nfs/dbraw/zinc/07/17/56/554071756.db2.gz	VTBKVEGFVKKVOU-INIZCTEOSA-N	1	1	351.520	2.220	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCc4nc(C(C)(C)C)cn4C3)C2)C1	ZINC000330177803	554079130	/nfs/dbraw/zinc/07/91/30/554079130.db2.gz	DEXLJGDWIVLEBX-QRWLVFNGSA-N	1	1	359.518	2.437	20	30		FEEDMO
C[N@@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@@H]3CCc4nc(C(C)(C)C)cn4C3)C2)C1	ZINC000330177803	554079133	/nfs/dbraw/zinc/07/91/33/554079133.db2.gz	DEXLJGDWIVLEBX-QRWLVFNGSA-N	1	1	359.518	2.437	20	30		FEEDMO
CC(C)[N@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1	ZINC000330210279	554085735	/nfs/dbraw/zinc/08/57/35/554085735.db2.gz	CGGLIPKSGUUXQY-MOPGFXCFSA-N	1	1	366.550	2.084	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCOC4(CCOCC4)C3)CC2)c1	ZINC000330215568	554086786	/nfs/dbraw/zinc/08/67/86/554086786.db2.gz	HBSNDVYOOGQOQA-KRWDZBQOSA-N	1	1	374.485	2.154	20	30		FEEDMO
Cc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1N1CCNC1=O	ZINC000330229840	554089253	/nfs/dbraw/zinc/08/92/53/554089253.db2.gz	WCKLFSKUWWCYEN-GOEBONIOSA-N	1	1	357.458	2.443	20	30		FEEDMO
C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@@H]1CCC2(CCCCC2)O1	ZINC000330233382	554089922	/nfs/dbraw/zinc/08/99/22/554089922.db2.gz	XWJXMOLXWUERCU-IXDOHACOSA-N	1	1	353.507	2.169	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)N(C)CCO3)C[C@@H]1[NH+]1CCOCC1	ZINC000330256156	554093951	/nfs/dbraw/zinc/09/39/51/554093951.db2.gz	KKGBLRKOZQBPEO-QAPCUYQASA-N	1	1	374.485	2.103	20	30		FEEDMO
CCO[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C12CCC2	ZINC000330269634	554096464	/nfs/dbraw/zinc/09/64/64/554096464.db2.gz	SDMIDUKPBCNWJI-CGTJXYLNSA-N	1	1	365.518	2.433	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCOC2(CCOCC2)C1	ZINC000330272319	554097247	/nfs/dbraw/zinc/09/72/47/554097247.db2.gz	XLLWHIFZYMMYMC-BRWVUGGUSA-N	1	1	351.491	2.187	20	30		FEEDMO
CCN1C(=O)CC[C@H](C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@@H]1c1cnn(C)c1	ZINC000330305621	554102545	/nfs/dbraw/zinc/10/25/45/554102545.db2.gz	QUKJALYWWJJFBK-FAJBIJEISA-N	1	1	373.501	2.303	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCS(=O)(=O)CC[C@H]2C)C1	ZINC000330317782	554103920	/nfs/dbraw/zinc/10/39/20/554103920.db2.gz	BWMDENTVONOJFP-HZPDHXFCSA-N	1	1	373.563	2.310	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1	ZINC000330382924	554113703	/nfs/dbraw/zinc/11/37/03/554113703.db2.gz	JHCPPJYNCBEMDZ-NVXWUHKLSA-N	1	1	356.536	2.099	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000330415290	554118688	/nfs/dbraw/zinc/11/86/88/554118688.db2.gz	NQPZRPIDMRXTQG-YCPHGPKFSA-N	1	1	370.544	2.199	20	30		FEEDMO
CC(=O)N(C)C1CCN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000330453116	554123869	/nfs/dbraw/zinc/12/38/69/554123869.db2.gz	ZWRMBOUEQMGCKX-IYBDPMFKSA-N	1	1	352.523	2.211	20	30		FEEDMO
COC(=O)c1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc(C)c1C	ZINC000330714423	554162098	/nfs/dbraw/zinc/16/20/98/554162098.db2.gz	XJRFMFSVDPDRFO-ZIAGYGMSSA-N	1	1	363.458	2.022	20	30		FEEDMO
C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1	ZINC000330735824	554164706	/nfs/dbraw/zinc/16/47/06/554164706.db2.gz	LVCNLMXDBYVDLD-INMHGKMJSA-N	1	1	367.515	2.101	20	30		FEEDMO
C[C@H](CS(C)(=O)=O)N(C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000330735824	554164708	/nfs/dbraw/zinc/16/47/08/554164708.db2.gz	LVCNLMXDBYVDLD-INMHGKMJSA-N	1	1	367.515	2.101	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)NCCc2ccc(F)cc2Cl)C[C@H]1C	ZINC000330867908	554180755	/nfs/dbraw/zinc/18/07/55/554180755.db2.gz	WAUMLBOCOVCIDS-OLZOCXBDSA-N	1	1	357.857	2.323	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(S(N)(=O)=O)c(F)c1	ZINC000331009582	554200414	/nfs/dbraw/zinc/20/04/14/554200414.db2.gz	DBMBPFGHQBGBBO-XQQFMLRXSA-N	1	1	371.478	2.144	20	30		FEEDMO
CC(C)NC(=O)NC1(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CCCCC1	ZINC000331022929	554202567	/nfs/dbraw/zinc/20/25/67/554202567.db2.gz	TXLHBQDEMFCDAK-HNNXBMFYSA-N	1	1	350.507	2.368	20	30		FEEDMO
CNC(=O)NC(=O)CC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C	ZINC000331099639	554212696	/nfs/dbraw/zinc/21/26/96/554212696.db2.gz	ARHQEMZDUVRJIA-MJBXVCDLSA-N	1	1	353.463	2.011	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](CS(C)(=O)=O)C2)C1	ZINC000331150955	554222227	/nfs/dbraw/zinc/22/22/27/554222227.db2.gz	ZXBGACVLRCZMLD-XHSDSOJGSA-N	1	1	373.563	2.023	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2F)CC[N@H+]1C[C@@H](C)O	ZINC000331192744	554229039	/nfs/dbraw/zinc/22/90/39/554229039.db2.gz	MCBDFSFXBCFDEN-YPMHNXCESA-N	1	1	352.410	2.032	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC[N@H+]1C[C@@H](C)O	ZINC000331237334	554234894	/nfs/dbraw/zinc/23/48/94/554234894.db2.gz	HGAHYLIFGZDOMQ-WBVHZDCISA-N	1	1	373.501	2.242	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(S(C)(=O)=O)nc1	ZINC000331260861	554237598	/nfs/dbraw/zinc/23/75/98/554237598.db2.gz	KSDHBIZENRNQPI-HNNXBMFYSA-N	1	1	368.503	2.322	20	30		FEEDMO
CCCCn1ncc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1C	ZINC000331309550	554245216	/nfs/dbraw/zinc/24/52/16/554245216.db2.gz	XUQSFYLHOHHPEQ-AWEZNQCLSA-N	1	1	351.495	2.314	20	30		FEEDMO
COCC[N@@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1C	ZINC000331310334	554245331	/nfs/dbraw/zinc/24/53/31/554245331.db2.gz	GKHHYPJQDIJRDW-LBPRGKRZSA-N	1	1	366.259	2.113	20	30		FEEDMO
COCC[N@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H]1C	ZINC000331310334	554245332	/nfs/dbraw/zinc/24/53/32/554245332.db2.gz	GKHHYPJQDIJRDW-LBPRGKRZSA-N	1	1	366.259	2.113	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1CCC(=O)Nc1cccc(C#N)c1	ZINC000331384302	554255561	/nfs/dbraw/zinc/25/55/61/554255561.db2.gz	AQNBUZPLZPOVND-INIZCTEOSA-N	1	1	356.470	2.072	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000331435415	554263955	/nfs/dbraw/zinc/26/39/55/554263955.db2.gz	ZDJBVKBTGFBUOX-DOTOQJQBSA-N	1	1	354.454	2.220	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000331435415	554263960	/nfs/dbraw/zinc/26/39/60/554263960.db2.gz	ZDJBVKBTGFBUOX-DOTOQJQBSA-N	1	1	354.454	2.220	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000331471800	554270388	/nfs/dbraw/zinc/27/03/88/554270388.db2.gz	IGBCGDJQMLKWSZ-BONVTDFDSA-N	1	1	373.400	2.338	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@H]2c2ccco2)CC1	ZINC000332022476	554365092	/nfs/dbraw/zinc/36/50/92/554365092.db2.gz	GITKLBYYRABEFN-ROUUACIJSA-N	1	1	358.486	2.499	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@H]2c2ccco2)CC1	ZINC000332022476	554365094	/nfs/dbraw/zinc/36/50/94/554365094.db2.gz	GITKLBYYRABEFN-ROUUACIJSA-N	1	1	358.486	2.499	20	30		FEEDMO
COc1ccc(C(=O)CC[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1	ZINC000509623182	561807867	/nfs/dbraw/zinc/80/78/67/561807867.db2.gz	QNRCDLCQDXNBHU-UHFFFAOYSA-N	1	1	350.422	2.357	20	30		FEEDMO
CCCN1CCN(c2nc(N3CC[NH+](CCC)CC3)ccc2C#N)CC1	ZINC000509727662	561811854	/nfs/dbraw/zinc/81/18/54/561811854.db2.gz	FRGBXACZSPSLMB-UHFFFAOYSA-N	1	1	356.518	2.017	20	30		FEEDMO
C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C1	ZINC000332536628	554466365	/nfs/dbraw/zinc/46/63/65/554466365.db2.gz	UTFUKXFOTMECMX-OALUTQOASA-N	1	1	368.525	2.375	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCC4(CCCC4)C3)CC2)o1	ZINC000333749278	554638969	/nfs/dbraw/zinc/63/89/69/554638969.db2.gz	SPKPPMHHQMCJSI-UHFFFAOYSA-N	1	1	371.485	2.160	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N([C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O	ZINC000348586303	554689637	/nfs/dbraw/zinc/68/96/37/554689637.db2.gz	KYVVZHSUYTTYNT-JFRXWTBNSA-N	1	1	371.481	2.266	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000360675850	554884602	/nfs/dbraw/zinc/88/46/02/554884602.db2.gz	YHERPJNOGFRHMV-LJQANCHMSA-N	1	1	363.465	2.449	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1	ZINC000361140456	554905670	/nfs/dbraw/zinc/90/56/70/554905670.db2.gz	BUHJOFVNIUUPPD-SFHVURJKSA-N	1	1	373.884	2.297	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000361731786	554931984	/nfs/dbraw/zinc/93/19/84/554931984.db2.gz	BTOFMYAVYDMCRQ-XHSDSOJGSA-N	1	1	364.490	2.221	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000361731786	554931986	/nfs/dbraw/zinc/93/19/86/554931986.db2.gz	BTOFMYAVYDMCRQ-XHSDSOJGSA-N	1	1	364.490	2.221	20	30		FEEDMO
N#Cc1c(C[NH+]2CCC(C(=O)Nc3cnccn3)CC2)cn2ccccc12	ZINC000361784384	554934717	/nfs/dbraw/zinc/93/47/17/554934717.db2.gz	PJONIMACIVXVSI-UHFFFAOYSA-N	1	1	360.421	2.452	20	30		FEEDMO
CCCN1CC[NH+](C2CCN(c3nc4c(cc3C#N)CCC4)CC2)CC1	ZINC000361813718	554936266	/nfs/dbraw/zinc/93/62/66/554936266.db2.gz	KPVCBOYCGJXANL-UHFFFAOYSA-N	1	1	353.514	2.438	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)N[C@H]2CCCN(c3ccccc3C#N)C2)CC1	ZINC000361988564	554942375	/nfs/dbraw/zinc/94/23/75/554942375.db2.gz	WRNANXPDTMGSLB-SFHVURJKSA-N	1	1	353.470	2.088	20	30		FEEDMO
C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[N@@H+]1C1CCN(C)CC1	ZINC000362323247	554963295	/nfs/dbraw/zinc/96/32/95/554963295.db2.gz	AATZKIUAVBMNIF-INIZCTEOSA-N	1	1	353.514	2.437	20	30		FEEDMO
C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[N@H+]1C1CCN(C)CC1	ZINC000362323247	554963297	/nfs/dbraw/zinc/96/32/97/554963297.db2.gz	AATZKIUAVBMNIF-INIZCTEOSA-N	1	1	353.514	2.437	20	30		FEEDMO
C=CCN(CC(=O)NC1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363184768	555048330	/nfs/dbraw/zinc/04/83/30/555048330.db2.gz	GRPAHOGXPCVEQH-FQEVSTJZSA-N	1	1	357.498	2.044	20	30		FEEDMO
N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21	ZINC000363260109	555066429	/nfs/dbraw/zinc/06/64/29/555066429.db2.gz	STZLHQJOQBKDDM-NOLJZWGESA-N	1	1	365.886	2.316	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCc2ccc(C#N)cc2)CC1	ZINC000363368979	555087650	/nfs/dbraw/zinc/08/76/50/555087650.db2.gz	DBVMPCXKKFMQBX-HXUWFJFHSA-N	1	1	354.498	2.119	20	30		FEEDMO
CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000363634631	555151527	/nfs/dbraw/zinc/15/15/27/555151527.db2.gz	VVLQNSIEZUEERR-OALUTQOASA-N	1	1	354.454	2.362	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[NH+]1CCC(CCN2CCOCC2)CC1	ZINC000363664421	555158759	/nfs/dbraw/zinc/15/87/59/555158759.db2.gz	YCMARSJWOGCKSG-UHFFFAOYSA-N	1	1	370.497	2.321	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc(OCC#N)cc1	ZINC000363663955	555159068	/nfs/dbraw/zinc/15/90/68/555159068.db2.gz	VYGHXMJIHWCEGB-AHRSYUTCSA-N	1	1	371.481	2.137	20	30		FEEDMO
CCC(=O)N1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000364436590	555314024	/nfs/dbraw/zinc/31/40/24/555314024.db2.gz	GOIBLEKGSQLNMR-UHFFFAOYSA-N	1	1	362.861	2.485	20	30		FEEDMO
C[N@@H+](CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CCCC1	ZINC000364722082	555385251	/nfs/dbraw/zinc/38/52/51/555385251.db2.gz	JHKHNKWKKLMSQH-LJQANCHMSA-N	1	1	368.481	2.040	20	30		FEEDMO
COc1ccc(C(=O)N2CCC[N@H+](Cc3cc(C#N)n(C)c3)CC2)cc1	ZINC000364852037	555415544	/nfs/dbraw/zinc/41/55/44/555415544.db2.gz	DLMHKXRQWCVHRF-UHFFFAOYSA-N	1	1	352.438	2.253	20	30		FEEDMO
COc1ccc(C(=O)N2CCC[N@@H+](Cc3cc(C#N)n(C)c3)CC2)cc1	ZINC000364852037	555415546	/nfs/dbraw/zinc/41/55/46/555415546.db2.gz	DLMHKXRQWCVHRF-UHFFFAOYSA-N	1	1	352.438	2.253	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[C@@H]1c1cccs1	ZINC000512764182	561914571	/nfs/dbraw/zinc/91/45/71/561914571.db2.gz	BVPDHRTXNSNIGB-NVXWUHKLSA-N	1	1	374.510	2.009	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000364944407	555445648	/nfs/dbraw/zinc/44/56/48/555445648.db2.gz	OATPWRNTDIMFIX-KGVIQGDOSA-N	1	1	361.445	2.326	20	30		FEEDMO
N#C[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000364944407	555445651	/nfs/dbraw/zinc/44/56/51/555445651.db2.gz	OATPWRNTDIMFIX-KGVIQGDOSA-N	1	1	361.445	2.326	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1	ZINC000365155288	555496817	/nfs/dbraw/zinc/49/68/17/555496817.db2.gz	YBEIZUWUZVZPDX-IEBWSBKVSA-N	1	1	368.481	2.456	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1C#N	ZINC000365394385	555563345	/nfs/dbraw/zinc/56/33/45/555563345.db2.gz	LGFHZCRSRIOJBQ-MDASCCDHSA-N	1	1	354.454	2.361	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1C#N	ZINC000365394385	555563347	/nfs/dbraw/zinc/56/33/47/555563347.db2.gz	LGFHZCRSRIOJBQ-MDASCCDHSA-N	1	1	354.454	2.361	20	30		FEEDMO
C=CCOc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@H](C(=O)OCC)C2)c1	ZINC000513128351	561926271	/nfs/dbraw/zinc/92/62/71/561926271.db2.gz	PWYYTEKWXIUWBJ-SFHVURJKSA-N	1	1	374.481	2.485	20	30		FEEDMO
C=CCOc1cccc(C[N@H+](C)CC(=O)N2CCC[C@H](C(=O)OCC)C2)c1	ZINC000513128351	561926273	/nfs/dbraw/zinc/92/62/73/561926273.db2.gz	PWYYTEKWXIUWBJ-SFHVURJKSA-N	1	1	374.481	2.485	20	30		FEEDMO
CC(C)n1cnnc1[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000365755889	555660523	/nfs/dbraw/zinc/66/05/23/555660523.db2.gz	ZSBNFPGWVGWMHG-SFHVURJKSA-N	1	1	366.469	2.226	20	30		FEEDMO
CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000365755889	555660525	/nfs/dbraw/zinc/66/05/25/555660525.db2.gz	ZSBNFPGWVGWMHG-SFHVURJKSA-N	1	1	366.469	2.226	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(Oc2cnc3ccccc3n2)CC1	ZINC000365853517	555683601	/nfs/dbraw/zinc/68/36/01/555683601.db2.gz	CUYVSUQZVIVZIX-OAHLLOKOSA-N	1	1	367.453	2.234	20	30		FEEDMO
C[C@@H](CO)[N@H+]1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1	ZINC000366508456	555863018	/nfs/dbraw/zinc/86/30/18/555863018.db2.gz	RPRCVGHHDUSZKH-INIZCTEOSA-N	1	1	367.497	2.377	20	30		FEEDMO
Cn1cc(C(=O)NC2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)cn1	ZINC000366590524	555884973	/nfs/dbraw/zinc/88/49/73/555884973.db2.gz	SVUKDERUAAOJRA-UHFFFAOYSA-N	1	1	356.857	2.319	20	30		FEEDMO
C=CCCOCCNC(=O)N1CCC[N@@H+](Cc2cnn(C(C)C)c2)CC1	ZINC000366767849	555929457	/nfs/dbraw/zinc/92/94/57/555929457.db2.gz	USZSXFXNPFLJKG-UHFFFAOYSA-N	1	1	363.506	2.274	20	30		FEEDMO
C=CCCOCCNC(=O)N1CCC[N@H+](Cc2cnn(C(C)C)c2)CC1	ZINC000366767849	555929458	/nfs/dbraw/zinc/92/94/58/555929458.db2.gz	USZSXFXNPFLJKG-UHFFFAOYSA-N	1	1	363.506	2.274	20	30		FEEDMO
C[C@H]1C[C@H](Nc2cc(S(N)(=O)=O)ccc2C#N)C[N@H+]1Cc1ccccc1	ZINC000367338685	556022044	/nfs/dbraw/zinc/02/20/44/556022044.db2.gz	CVHNIPSQJJSMAR-YOEHRIQHSA-N	1	1	370.478	2.281	20	30		FEEDMO
Cc1[nH+]c(CNC(=O)NCc2ccc(OCC#N)cc2)c2n1CCCC2	ZINC000367411855	556041538	/nfs/dbraw/zinc/04/15/38/556041538.db2.gz	CYDTUUXIPOBEEC-UHFFFAOYSA-N	1	1	353.426	2.430	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H]2CCN(c3ccccc3OC(F)F)C2=O)CC1	ZINC000367694738	556116698	/nfs/dbraw/zinc/11/66/98/556116698.db2.gz	UUJHTZHZIJIYII-INIZCTEOSA-N	1	1	363.408	2.034	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@@H]21	ZINC000367843984	556152224	/nfs/dbraw/zinc/15/22/24/556152224.db2.gz	RLQDHHXZUOPAMX-GJYPPUQNSA-N	1	1	356.445	2.076	20	30		FEEDMO
C[C@@H](CO)[N@H+]1CCCN(Cc2ccc(Br)cc2C#N)CC1	ZINC000367874730	556161839	/nfs/dbraw/zinc/16/18/39/556161839.db2.gz	PMHRZDJQMQKCTJ-ZDUSSCGKSA-N	1	1	352.276	2.209	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](CN3CCN(C)CC3)C2)cc1	ZINC000368050180	556204857	/nfs/dbraw/zinc/20/48/57/556204857.db2.gz	DEHNLCVKKYLXGG-AZUAARDMSA-N	1	1	356.514	2.437	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CN3CCN(C)CC3)C2)cc1	ZINC000368050180	556204860	/nfs/dbraw/zinc/20/48/60/556204860.db2.gz	DEHNLCVKKYLXGG-AZUAARDMSA-N	1	1	356.514	2.437	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2	ZINC000368087152	556215243	/nfs/dbraw/zinc/21/52/43/556215243.db2.gz	CQDLEHHFYQFPFL-HXUWFJFHSA-N	1	1	352.438	2.112	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2	ZINC000368087152	556215245	/nfs/dbraw/zinc/21/52/45/556215245.db2.gz	CQDLEHHFYQFPFL-HXUWFJFHSA-N	1	1	352.438	2.112	20	30		FEEDMO
CN(C)c1noc([C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)n1	ZINC000515352833	562006796	/nfs/dbraw/zinc/00/67/96/562006796.db2.gz	QUQKQPICOYRPQU-CQSZACIVSA-N	1	1	356.386	2.295	20	30		FEEDMO
CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)n1	ZINC000515352833	562006797	/nfs/dbraw/zinc/00/67/97/562006797.db2.gz	QUQKQPICOYRPQU-CQSZACIVSA-N	1	1	356.386	2.295	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000368615647	556363618	/nfs/dbraw/zinc/36/36/18/556363618.db2.gz	AVWCYBVIDUAOSN-PMACEKPBSA-N	1	1	368.525	2.089	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000368615647	556363622	/nfs/dbraw/zinc/36/36/22/556363622.db2.gz	AVWCYBVIDUAOSN-PMACEKPBSA-N	1	1	368.525	2.089	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1	ZINC000368816373	556421514	/nfs/dbraw/zinc/42/15/14/556421514.db2.gz	FLOHARYKOFSISL-QZTJIDSGSA-N	1	1	374.529	2.442	20	30		FEEDMO
Cc1nc(CO[C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)cs1	ZINC000368998696	556472427	/nfs/dbraw/zinc/47/24/27/556472427.db2.gz	BJSFVBGORLQORR-MJGOQNOKSA-N	1	1	373.478	2.354	20	30		FEEDMO
COc1ccc(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OCCCC#N	ZINC000369037125	556484184	/nfs/dbraw/zinc/48/41/84/556484184.db2.gz	VEFFQLLLJRLZJY-QZTJIDSGSA-N	1	1	359.470	2.331	20	30		FEEDMO
COc1ccc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)cc1OCCCC#N	ZINC000369037125	556484187	/nfs/dbraw/zinc/48/41/87/556484187.db2.gz	VEFFQLLLJRLZJY-QZTJIDSGSA-N	1	1	359.470	2.331	20	30		FEEDMO
COc1ncc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(C)n1	ZINC000369190567	556530843	/nfs/dbraw/zinc/53/08/43/556530843.db2.gz	ZMPITWOJQHNYJE-UHFFFAOYSA-N	1	1	351.454	2.373	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1	ZINC000369384504	556586460	/nfs/dbraw/zinc/58/64/60/556586460.db2.gz	DMWDTFBWVGPWCN-KRWDZBQOSA-N	1	1	354.454	2.221	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1	ZINC000369384504	556586461	/nfs/dbraw/zinc/58/64/61/556586461.db2.gz	DMWDTFBWVGPWCN-KRWDZBQOSA-N	1	1	354.454	2.221	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cnn(C)c2C)c(OC)c1	ZINC000516390057	562041599	/nfs/dbraw/zinc/04/15/99/562041599.db2.gz	SZXHTMSURGFZPR-SFHVURJKSA-N	1	1	359.470	2.337	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)n1	ZINC000369783921	556694024	/nfs/dbraw/zinc/69/40/24/556694024.db2.gz	LCRQKHZUGQLBNW-LJQANCHMSA-N	1	1	366.469	2.306	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)n1	ZINC000369783921	556694026	/nfs/dbraw/zinc/69/40/26/556694026.db2.gz	LCRQKHZUGQLBNW-LJQANCHMSA-N	1	1	366.469	2.306	20	30		FEEDMO
C[C@H](CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[N@@H+](C)Cc1ccccc1	ZINC000369986821	556749654	/nfs/dbraw/zinc/74/96/54/556749654.db2.gz	PVLVUTHTPGWPOG-XLIONFOSSA-N	1	1	369.513	2.279	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000370000061	556753729	/nfs/dbraw/zinc/75/37/29/556753729.db2.gz	SQKSHHPZVCPKDC-OAHLLOKOSA-N	1	1	370.432	2.689	20	30		FEEDMO
C=CC[C@@H](CC)NC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1	ZINC000370004490	556755835	/nfs/dbraw/zinc/75/58/35/556755835.db2.gz	DBRXCURVTNZDGV-GOSISDBHSA-N	1	1	364.534	2.317	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1	ZINC000516752783	562056511	/nfs/dbraw/zinc/05/65/11/562056511.db2.gz	GWMUBZOUTISYPH-QGZVFWFLSA-N	1	1	353.426	2.034	20	30		FEEDMO
CC[C@H](NC(=O)C1(C#N)CCOCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000370494410	556889542	/nfs/dbraw/zinc/88/95/42/556889542.db2.gz	DFTRRGLEOMEWQH-OALUTQOASA-N	1	1	371.481	2.103	20	30		FEEDMO
CC[C@H](NC(=O)C1(C#N)CCOCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000370494410	556889547	/nfs/dbraw/zinc/88/95/47/556889547.db2.gz	DFTRRGLEOMEWQH-OALUTQOASA-N	1	1	371.481	2.103	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(C)c(F)c3)no2)CC1	ZINC000370793537	556970606	/nfs/dbraw/zinc/97/06/06/556970606.db2.gz	OICWUQPHKRLYCN-UHFFFAOYSA-N	1	1	356.401	2.146	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c2cccs2)CC1	ZINC000516967475	562068000	/nfs/dbraw/zinc/06/80/00/562068000.db2.gz	ZQFSQWVJDOMNIR-ARFHVFGLSA-N	1	1	361.515	2.028	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(Cc2noc(C(C)C)n2)CC1	ZINC000370887794	557003480	/nfs/dbraw/zinc/00/34/80/557003480.db2.gz	XZSQUCCOZFVFPT-UHFFFAOYSA-N	1	1	363.506	2.125	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(Cc2noc(C(C)C)n2)CC1	ZINC000370887794	557003484	/nfs/dbraw/zinc/00/34/84/557003484.db2.gz	XZSQUCCOZFVFPT-UHFFFAOYSA-N	1	1	363.506	2.125	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3cnc(C)s3)C[C@@H]2C)CC1	ZINC000370942579	557023788	/nfs/dbraw/zinc/02/37/88/557023788.db2.gz	QRZKFWFTDSDJTI-HNAYVOBHSA-N	1	1	374.554	2.123	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1OC	ZINC000371404683	557174867	/nfs/dbraw/zinc/17/48/67/557174867.db2.gz	SLAJMCDELYEVMX-IBGZPJMESA-N	1	1	374.481	2.473	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1OC	ZINC000371404683	557174869	/nfs/dbraw/zinc/17/48/69/557174869.db2.gz	SLAJMCDELYEVMX-IBGZPJMESA-N	1	1	374.481	2.473	20	30		FEEDMO
CCc1nn(C)c(CC)c1C[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000371469015	557190479	/nfs/dbraw/zinc/19/04/79/557190479.db2.gz	CMZZRZGQWWVZOC-LHSJRXKWSA-N	1	1	363.465	2.390	20	30		FEEDMO
CCc1nn(C)c(CC)c1C[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000371469015	557190481	/nfs/dbraw/zinc/19/04/81/557190481.db2.gz	CMZZRZGQWWVZOC-LHSJRXKWSA-N	1	1	363.465	2.390	20	30		FEEDMO
CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2n[nH]cc2NS(C)(=O)=O)C1	ZINC000371551286	557219971	/nfs/dbraw/zinc/21/99/71/557219971.db2.gz	DULNZYPVAUASII-CYBMUJFWSA-N	1	1	353.492	2.291	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OC2CCOCC2)CC1	ZINC000371760231	557285505	/nfs/dbraw/zinc/28/55/05/557285505.db2.gz	YJEINZWEPZXDRD-MRXNPFEDSA-N	1	1	363.502	2.378	20	30		FEEDMO
COC(=O)c1cn([C@H]2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)nn1	ZINC000371846507	557310194	/nfs/dbraw/zinc/31/01/94/557310194.db2.gz	OZKDBCSWXYCHLC-HNNXBMFYSA-N	1	1	353.426	2.313	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCCN(c2cncc(F)c2)CC1)C1(C#N)CCCCC1	ZINC000372027398	557360750	/nfs/dbraw/zinc/36/07/50/557360750.db2.gz	XJZXGNYOCFUAGR-UHFFFAOYSA-N	1	1	373.476	2.418	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCCN(c2cncc(F)c2)CC1)C1(C#N)CCCCC1	ZINC000372027398	557360754	/nfs/dbraw/zinc/36/07/54/557360754.db2.gz	XJZXGNYOCFUAGR-UHFFFAOYSA-N	1	1	373.476	2.418	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)nc1	ZINC000372424266	557467233	/nfs/dbraw/zinc/46/72/33/557467233.db2.gz	CYEVIMSRRLZQFF-QGZVFWFLSA-N	1	1	352.482	2.145	20	30		FEEDMO
CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1	ZINC000372618882	557522861	/nfs/dbraw/zinc/52/28/61/557522861.db2.gz	LURQENULQFOVGK-INIZCTEOSA-N	1	1	354.429	2.482	20	30		FEEDMO
CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1	ZINC000372618882	557522862	/nfs/dbraw/zinc/52/28/62/557522862.db2.gz	LURQENULQFOVGK-INIZCTEOSA-N	1	1	354.429	2.482	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2CC)c1	ZINC000372672461	557534163	/nfs/dbraw/zinc/53/41/63/557534163.db2.gz	XYFJDCNQEIPAMS-KRWDZBQOSA-N	1	1	350.422	2.057	20	30		FEEDMO
C=CCNC(=O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1	ZINC000372850058	557575294	/nfs/dbraw/zinc/57/52/94/557575294.db2.gz	XTUPISIMIWMZTQ-OXQOHEQNSA-N	1	1	352.438	2.392	20	30		FEEDMO
Cn1ccc(N2CCC[C@H]([NH2+]Cc3ccc(F)c(C#N)c3Cl)C2=O)n1	ZINC000372991758	557605200	/nfs/dbraw/zinc/60/52/00/557605200.db2.gz	HBPGVLRGZAYZCG-AWEZNQCLSA-N	1	1	361.808	2.369	20	30		FEEDMO
C=CCNC(=O)C[NH2+][C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1	ZINC000373213289	557651287	/nfs/dbraw/zinc/65/12/87/557651287.db2.gz	ZXSLWHYLWQZFTO-OAHLLOKOSA-N	1	1	369.387	2.261	20	30		FEEDMO
CN(C)c1noc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)cc2)n1	ZINC000373827540	557767797	/nfs/dbraw/zinc/76/77/97/557767797.db2.gz	WVKRKDPCVBBBKC-HNNXBMFYSA-N	1	1	354.414	2.173	20	30		FEEDMO
CN(C)c1noc([C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)n1	ZINC000373827540	557767798	/nfs/dbraw/zinc/76/77/98/557767798.db2.gz	WVKRKDPCVBBBKC-HNNXBMFYSA-N	1	1	354.414	2.173	20	30		FEEDMO
C=CCN(C[C@H](O)CO[C@@H](C)COC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000373910589	557785326	/nfs/dbraw/zinc/78/53/26/557785326.db2.gz	ZYUMZEGANJVHJY-TYPHKJRUSA-N	1	1	362.514	2.161	20	30		FEEDMO
C=CC[N@@H+](C[C@H](O)CO[C@@H](C)COC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000373910589	557785328	/nfs/dbraw/zinc/78/53/28/557785328.db2.gz	ZYUMZEGANJVHJY-TYPHKJRUSA-N	1	1	362.514	2.161	20	30		FEEDMO
C=CC[N@H+](C[C@H](O)CO[C@@H](C)COC)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000373910589	557785330	/nfs/dbraw/zinc/78/53/30/557785330.db2.gz	ZYUMZEGANJVHJY-TYPHKJRUSA-N	1	1	362.514	2.161	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000373941129	557792604	/nfs/dbraw/zinc/79/26/04/557792604.db2.gz	BXVCTVKOKHLVSL-OXQOHEQNSA-N	1	1	372.517	2.238	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000373941129	557792606	/nfs/dbraw/zinc/79/26/06/557792606.db2.gz	BXVCTVKOKHLVSL-OXQOHEQNSA-N	1	1	372.517	2.238	20	30		FEEDMO
Cc1cc(N2CCC(N(C)C(=O)NCC3(CC#N)CC3)CC2)nc(C)[nH+]1	ZINC000373967246	557798295	/nfs/dbraw/zinc/79/82/95/557798295.db2.gz	GRJMTJQZRSRRCN-UHFFFAOYSA-N	1	1	356.474	2.398	20	30		FEEDMO
COc1ccc(N2C(=O)C[C@H]([NH+]3CCC(CCC#N)CC3)C2=O)c(OC)c1	ZINC000520812944	562164307	/nfs/dbraw/zinc/16/43/07/562164307.db2.gz	KIJOFYVNSSFWLX-KRWDZBQOSA-N	1	1	371.437	2.351	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2c(F)ccc(Br)c2F)CC1	ZINC000521019112	562167734	/nfs/dbraw/zinc/16/77/34/562167734.db2.gz	LHSOXFWEQZYBTN-UHFFFAOYSA-N	1	1	358.186	2.445	20	30		FEEDMO
C=CCN(C(=O)[C@H]1CCc2n[nH]nc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375444866	558028486	/nfs/dbraw/zinc/02/84/86/558028486.db2.gz	ZZWVIVIZBYEKLF-ROUUACIJSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@H]1CCc2[nH]nnc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000375444866	558028487	/nfs/dbraw/zinc/02/84/87/558028487.db2.gz	ZZWVIVIZBYEKLF-ROUUACIJSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@H]1CCc2[nH]nnc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375444866	558028488	/nfs/dbraw/zinc/02/84/88/558028488.db2.gz	ZZWVIVIZBYEKLF-ROUUACIJSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@H]1CCc2nn[nH]c2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000375444866	558028489	/nfs/dbraw/zinc/02/84/89/558028489.db2.gz	ZZWVIVIZBYEKLF-ROUUACIJSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@H]1CCc2nn[nH]c2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375444866	558028490	/nfs/dbraw/zinc/02/84/90/558028490.db2.gz	ZZWVIVIZBYEKLF-ROUUACIJSA-N	1	1	365.481	2.199	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000375595653	558054449	/nfs/dbraw/zinc/05/44/49/558054449.db2.gz	IAPINZGJXSFJHH-WBVHZDCISA-N	1	1	353.470	2.131	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000376333226	558159313	/nfs/dbraw/zinc/15/93/13/558159313.db2.gz	MZJBKIQINLHFMW-IRXDYDNUSA-N	1	1	357.454	2.152	20	30		FEEDMO
C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)o1	ZINC000376381199	558165860	/nfs/dbraw/zinc/16/58/60/558165860.db2.gz	KFRHNUMDMUBJBK-HNNXBMFYSA-N	1	1	359.451	2.436	20	30		FEEDMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)o1	ZINC000376381199	558165861	/nfs/dbraw/zinc/16/58/61/558165861.db2.gz	KFRHNUMDMUBJBK-HNNXBMFYSA-N	1	1	359.451	2.436	20	30		FEEDMO
COc1ccc(C#N)cc1C[NH+]1CCC(NC(=O)c2cccn2C)CC1	ZINC000376528379	558185849	/nfs/dbraw/zinc/18/58/49/558185849.db2.gz	OSLYRKLJXSBXPZ-UHFFFAOYSA-N	1	1	352.438	2.300	20	30		FEEDMO
C#CCC(CC#C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000376674626	558206541	/nfs/dbraw/zinc/20/65/41/558206541.db2.gz	TXEQNATZKQZFPJ-FQEVSTJZSA-N	1	1	365.477	2.454	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C1=O	ZINC000521822846	562183991	/nfs/dbraw/zinc/18/39/91/562183991.db2.gz	XHKXTLZOMFJUFI-IBGZPJMESA-N	1	1	353.466	2.330	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)C1=O	ZINC000521822846	562183992	/nfs/dbraw/zinc/18/39/92/562183992.db2.gz	XHKXTLZOMFJUFI-IBGZPJMESA-N	1	1	353.466	2.330	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c(F)c1	ZINC000377166381	558280268	/nfs/dbraw/zinc/28/02/68/558280268.db2.gz	ZOUAJNNOOCJSCG-BBWFWOEESA-N	1	1	356.445	2.267	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC1(C#N)CCCCC1	ZINC000377562390	558365122	/nfs/dbraw/zinc/36/51/22/558365122.db2.gz	DWHGZDYAMRCSCZ-BPQIPLTHSA-N	1	1	360.502	2.193	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1	ZINC000377669787	558391715	/nfs/dbraw/zinc/39/17/15/558391715.db2.gz	ORUWWVZJSLJSDE-VAMGGRTRSA-N	1	1	367.497	2.033	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	ZINC000523138340	562208832	/nfs/dbraw/zinc/20/88/32/562208832.db2.gz	OKNDQTOFVIMBQG-HXUWFJFHSA-N	1	1	363.465	2.277	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000378391148	558546265	/nfs/dbraw/zinc/54/62/65/558546265.db2.gz	BWQYSCUJGIZFBC-DLBZAZTESA-N	1	1	363.527	2.058	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN(C)[C@H]2CC[N@H+](C3CC3)C2)c(OC)c1	ZINC000523582871	562215777	/nfs/dbraw/zinc/21/57/77/562215777.db2.gz	KDHVVCFKXAULAG-RBUKOAKNSA-N	1	1	360.498	2.332	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CCN(C3CC3)C2)c(OC)c1	ZINC000523582871	562215778	/nfs/dbraw/zinc/21/57/78/562215778.db2.gz	KDHVVCFKXAULAG-RBUKOAKNSA-N	1	1	360.498	2.332	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CCN(C3CC3)C2)c(OC)c1	ZINC000523582871	562215779	/nfs/dbraw/zinc/21/57/79/562215779.db2.gz	KDHVVCFKXAULAG-RBUKOAKNSA-N	1	1	360.498	2.332	20	30		FEEDMO
N#Cc1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1	ZINC000378483968	558567490	/nfs/dbraw/zinc/56/74/90/558567490.db2.gz	RYSLERWVABDKNB-OAHLLOKOSA-N	1	1	350.260	2.227	20	30		FEEDMO
C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000392357357	558617479	/nfs/dbraw/zinc/61/74/79/558617479.db2.gz	NZYISSHGGAGKKN-WBVHZDCISA-N	1	1	350.484	2.347	20	30		FEEDMO
C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000392357357	558617481	/nfs/dbraw/zinc/61/74/81/558617481.db2.gz	NZYISSHGGAGKKN-WBVHZDCISA-N	1	1	350.484	2.347	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2cncc(C#N)c2)CCC1	ZINC000395446796	558622606	/nfs/dbraw/zinc/62/26/06/558622606.db2.gz	SDLXHTCGOUDXGI-UHFFFAOYSA-N	1	1	370.478	2.286	20	30		FEEDMO
C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000411128309	558841752	/nfs/dbraw/zinc/84/17/52/558841752.db2.gz	DJENSOMLZFUBRQ-SFHVURJKSA-N	1	1	365.481	2.202	20	30		FEEDMO
C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000411128309	558841755	/nfs/dbraw/zinc/84/17/55/558841755.db2.gz	DJENSOMLZFUBRQ-SFHVURJKSA-N	1	1	365.481	2.202	20	30		FEEDMO
C=CC[N@H+](CCc1ccccc1)[C@H](C)C(=O)NC(=O)NCC(F)(F)F	ZINC000411193342	558851404	/nfs/dbraw/zinc/85/14/04/558851404.db2.gz	FKNOLUGCHXQESJ-CYBMUJFWSA-N	1	1	357.376	2.494	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](CC)[C@@H](C)C3)cc2C1=O	ZINC000525397240	562247519	/nfs/dbraw/zinc/24/75/19/562247519.db2.gz	MNYFZILFORCYOI-GOEBONIOSA-N	1	1	369.465	2.413	20	30		FEEDMO
COC(=O)[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+](C)C1	ZINC000411911053	558986636	/nfs/dbraw/zinc/98/66/36/558986636.db2.gz	SULROPUFBOFEBM-HNNXBMFYSA-N	1	1	354.372	2.094	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1	ZINC000411959081	558995456	/nfs/dbraw/zinc/99/54/56/558995456.db2.gz	VEWGCIROWKWCHP-LSDHHAIUSA-N	1	1	374.510	2.287	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)N(C)C)C1	ZINC000411959081	558995457	/nfs/dbraw/zinc/99/54/57/558995457.db2.gz	VEWGCIROWKWCHP-LSDHHAIUSA-N	1	1	374.510	2.287	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)c(OC)c1	ZINC000412028060	559004286	/nfs/dbraw/zinc/00/42/86/559004286.db2.gz	MPGOSUWKLRUISX-IAGOWNOFSA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)c(OC)c1	ZINC000412028060	559004288	/nfs/dbraw/zinc/00/42/88/559004288.db2.gz	MPGOSUWKLRUISX-IAGOWNOFSA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)c(OC)c1	ZINC000412028060	559004290	/nfs/dbraw/zinc/00/42/90/559004290.db2.gz	MPGOSUWKLRUISX-IAGOWNOFSA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c(OC)c1	ZINC000412028060	559004291	/nfs/dbraw/zinc/00/42/91/559004291.db2.gz	MPGOSUWKLRUISX-IAGOWNOFSA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c(OC)c1	ZINC000412028060	559004294	/nfs/dbraw/zinc/00/42/94/559004294.db2.gz	MPGOSUWKLRUISX-IAGOWNOFSA-N	1	1	372.469	2.079	20	30		FEEDMO
C[N@@H+](CCN1CCN(c2ncc(C#N)cc2F)CC1)Cc1ccccc1	ZINC000413124862	559080422	/nfs/dbraw/zinc/08/04/22/559080422.db2.gz	PREWZQIHYIBOSJ-UHFFFAOYSA-N	1	1	353.445	2.346	20	30		FEEDMO
N#Cc1cnc(NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(F)c1	ZINC000413133075	559081457	/nfs/dbraw/zinc/08/14/57/559081457.db2.gz	JPDJEADAYAPWAW-KRWDZBQOSA-N	1	1	367.428	2.402	20	30		FEEDMO
COCC(COC)[NH+]1CCN(c2ccc(Br)cc2C#N)CC1	ZINC000413469172	559110160	/nfs/dbraw/zinc/11/01/60/559110160.db2.gz	DUSYDGRYYIXBTD-UHFFFAOYSA-N	1	1	368.275	2.104	20	30		FEEDMO
COCC(COC)[NH+]1CCN(c2c(C#N)cnc3c(C)cc(F)cc32)CC1	ZINC000413475933	559110585	/nfs/dbraw/zinc/11/05/85/559110585.db2.gz	OMPZRSZBVACSCW-UHFFFAOYSA-N	1	1	372.444	2.337	20	30		FEEDMO
COC(=O)[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CC[N@@H+](C)C1	ZINC000414485759	559167962	/nfs/dbraw/zinc/16/79/62/559167962.db2.gz	IKWNWQVBWNJVEK-CQSZACIVSA-N	1	1	355.360	2.114	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)c1C#N	ZINC000527065530	562275344	/nfs/dbraw/zinc/27/53/44/562275344.db2.gz	VTHSRHOMNIIZBC-UHFFFAOYSA-N	1	1	361.453	2.108	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000527103189	562276571	/nfs/dbraw/zinc/27/65/71/562276571.db2.gz	QXUCXJDFZVSEHN-ADKAHSJRSA-N	1	1	371.485	2.427	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000419643847	559451327	/nfs/dbraw/zinc/45/13/27/559451327.db2.gz	OJHLKHHHWKBWEP-KXBFYZLASA-N	1	1	370.497	2.422	20	30		FEEDMO
C=CCC[C@H]1NC(=O)N(CCC[NH+]2CCN(Cc3ccccc3)CC2)C1=O	ZINC000419923132	559464731	/nfs/dbraw/zinc/46/47/31/559464731.db2.gz	KYOWWWHCOXLAKB-LJQANCHMSA-N	1	1	370.497	2.081	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000420757235	559502698	/nfs/dbraw/zinc/50/26/98/559502698.db2.gz	BUVXPJJRZMHAMU-LBPRGKRZSA-N	1	1	361.389	2.292	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000421308754	559538216	/nfs/dbraw/zinc/53/82/16/559538216.db2.gz	YTDKSUMMJXIPLE-CYBMUJFWSA-N	1	1	362.499	2.408	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1	ZINC000422409993	559586173	/nfs/dbraw/zinc/58/61/73/559586173.db2.gz	FQYCLGLBEIZLOK-NXHRZFHOSA-N	1	1	355.482	2.031	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1	ZINC000422422012	559587193	/nfs/dbraw/zinc/58/71/93/559587193.db2.gz	FCUTYASMZGRBMR-VQIMIIECSA-N	1	1	355.482	2.057	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CC[N@H+](CCC)C1	ZINC000422548028	559594293	/nfs/dbraw/zinc/59/42/93/559594293.db2.gz	YIGZAQVEZPRFMO-MOPGFXCFSA-N	1	1	357.498	2.138	20	30		FEEDMO
C=CCc1ccc(OCC(=O)N2CC[NH2+]C[C@H]2c2ccncc2)c(OC)c1	ZINC000423961804	559648207	/nfs/dbraw/zinc/64/82/07/559648207.db2.gz	FAGGOQXGAODZJP-SFHVURJKSA-N	1	1	367.449	2.371	20	30		FEEDMO
C=CCC1(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CCOCC1	ZINC000424759826	559675803	/nfs/dbraw/zinc/67/58/03/559675803.db2.gz	WNKSZEUSGVTHJG-RBUKOAKNSA-N	1	1	358.482	2.111	20	30		FEEDMO
C[C@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)[NH+]1CCN(c2ccccc2)CC1	ZINC000425409097	559700543	/nfs/dbraw/zinc/70/05/43/559700543.db2.gz	VIHHJAWUHLSDLZ-FGTMMUONSA-N	1	1	355.486	2.189	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1	ZINC000425470328	559703914	/nfs/dbraw/zinc/70/39/14/559703914.db2.gz	FMOKRGADDOINJG-VQIMIIECSA-N	1	1	368.485	2.174	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000425569643	559710248	/nfs/dbraw/zinc/71/02/48/559710248.db2.gz	ZHBDLUHCWYDQGL-HAGHYFMRSA-N	1	1	355.482	2.351	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000425886173	559724046	/nfs/dbraw/zinc/72/40/46/559724046.db2.gz	PWMLZQNOXNQJJV-AEFFLSMTSA-N	1	1	370.497	2.314	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)CNc2cccc(C#N)c2)[C@@H](C)C1	ZINC000426746175	559741334	/nfs/dbraw/zinc/74/13/34/559741334.db2.gz	JBPPINIYOBCZBL-QFBILLFUSA-N	1	1	358.486	2.223	20	30		FEEDMO
Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428779702	559783195	/nfs/dbraw/zinc/78/31/95/559783195.db2.gz	LJHNPNQCWULUOR-IBGZPJMESA-N	1	1	364.449	2.373	20	30		FEEDMO
Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428779702	559783196	/nfs/dbraw/zinc/78/31/96/559783196.db2.gz	LJHNPNQCWULUOR-IBGZPJMESA-N	1	1	364.449	2.373	20	30		FEEDMO
Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428816815	559784014	/nfs/dbraw/zinc/78/40/14/559784014.db2.gz	JMGVUULFBAUHPL-VQIMIIECSA-N	1	1	364.449	2.420	20	30		FEEDMO
Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428816815	559784015	/nfs/dbraw/zinc/78/40/15/559784015.db2.gz	JMGVUULFBAUHPL-VQIMIIECSA-N	1	1	364.449	2.420	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1	ZINC000429128423	559791451	/nfs/dbraw/zinc/79/14/51/559791451.db2.gz	PFXJUOLWMBLXFO-UHOFOFEASA-N	1	1	350.846	2.219	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+]1CCO	ZINC000429348294	559796505	/nfs/dbraw/zinc/79/65/05/559796505.db2.gz	ZZCFMFFYJZLPER-LLVKDONJSA-N	1	1	356.348	2.107	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1CCO	ZINC000429348294	559796506	/nfs/dbraw/zinc/79/65/06/559796506.db2.gz	ZZCFMFFYJZLPER-LLVKDONJSA-N	1	1	356.348	2.107	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@H+]1CCCC[C@@H]1C	ZINC000434729783	559907846	/nfs/dbraw/zinc/90/78/46/559907846.db2.gz	ZEPKTUYUEXOHGI-LSDHHAIUSA-N	1	1	373.501	2.432	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCSC[C@@H]2CCO)c(-c2ccncc2)n1	ZINC000435125211	559916783	/nfs/dbraw/zinc/91/67/83/559916783.db2.gz	DEJBNEGDEYDRES-KRWDZBQOSA-N	1	1	357.483	2.159	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C	ZINC000435155388	559917450	/nfs/dbraw/zinc/91/74/50/559917450.db2.gz	LAPPDHHIFWHBAD-PWSUYJOCSA-N	1	1	361.389	2.338	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(OC(F)F)c1	ZINC000437895848	559971216	/nfs/dbraw/zinc/97/12/16/559971216.db2.gz	LZNDSCDVPXEZIB-OAHLLOKOSA-N	1	1	351.397	2.314	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c(OC(F)F)c1	ZINC000437895848	559971217	/nfs/dbraw/zinc/97/12/17/559971217.db2.gz	LZNDSCDVPXEZIB-OAHLLOKOSA-N	1	1	351.397	2.314	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1	ZINC000438442202	559979235	/nfs/dbraw/zinc/97/92/35/559979235.db2.gz	JDTPDKMZXJLMQA-KSZLIROESA-N	1	1	353.507	2.110	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)c(F)c1	ZINC000440045661	560003631	/nfs/dbraw/zinc/00/36/31/560003631.db2.gz	PYTJTTZWOBZPBH-UHFFFAOYSA-N	1	1	373.453	2.175	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)c(F)c1	ZINC000440045661	560003632	/nfs/dbraw/zinc/00/36/32/560003632.db2.gz	PYTJTTZWOBZPBH-UHFFFAOYSA-N	1	1	373.453	2.175	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)CC[N@H+]1C	ZINC000442126013	560044424	/nfs/dbraw/zinc/04/44/24/560044424.db2.gz	FZJIEERDIUESCK-KGLIPLIRSA-N	1	1	360.483	2.230	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000442300578	560048762	/nfs/dbraw/zinc/04/87/62/560048762.db2.gz	ZKIYPIIQIUHBMR-ZIAGYGMSSA-N	1	1	360.483	2.182	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000442300578	560048763	/nfs/dbraw/zinc/04/87/63/560048763.db2.gz	ZKIYPIIQIUHBMR-ZIAGYGMSSA-N	1	1	360.483	2.182	20	30		FEEDMO
Cn1cc([C@@H]2C[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C[C@H]2CO)cn1	ZINC000444749977	560119603	/nfs/dbraw/zinc/11/96/03/560119603.db2.gz	WOBHPQUXNWYMSI-HOTGVXAUSA-N	1	1	362.380	2.101	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](OCCOC)C1	ZINC000444749825	560119707	/nfs/dbraw/zinc/11/97/07/560119707.db2.gz	VSPPXTSBWYYESP-JKSUJKDBSA-N	1	1	352.500	2.389	20	30		FEEDMO
C[N@@H+](CCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)Cc1ccccc1	ZINC000447254789	560158886	/nfs/dbraw/zinc/15/88/86/560158886.db2.gz	HYZFWUOWXQLBGK-UHFFFAOYSA-N	1	1	370.840	2.398	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C	ZINC000447926736	560173393	/nfs/dbraw/zinc/17/33/93/560173393.db2.gz	NDHCSULSQLJQMI-WMQCIHAUSA-N	1	1	373.497	2.083	20	30		FEEDMO
COc1ccccc1CN1C(=O)C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1=O	ZINC000448554304	560190016	/nfs/dbraw/zinc/19/00/16/560190016.db2.gz	HFTLPKLKLMFXIK-GOSISDBHSA-N	1	1	363.417	2.326	20	30		FEEDMO
COc1ccccc1CN1C(=O)C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1=O	ZINC000448554304	560190017	/nfs/dbraw/zinc/19/00/17/560190017.db2.gz	HFTLPKLKLMFXIK-GOSISDBHSA-N	1	1	363.417	2.326	20	30		FEEDMO
N#Cc1ccc(OCC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1Br	ZINC000449807176	560240720	/nfs/dbraw/zinc/24/07/20/560240720.db2.gz	UYJYWQKZKGFNNF-LBPRGKRZSA-N	1	1	364.243	2.052	20	30		FEEDMO
N#Cc1ccc(OCC(=O)N2CC[NH+](C3CC3)CC2)cc1Br	ZINC000449815024	560241012	/nfs/dbraw/zinc/24/10/12/560241012.db2.gz	UWESNVIXUGLBPW-UHFFFAOYSA-N	1	1	364.243	2.006	20	30		FEEDMO
N#Cc1ccc(OCC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1Br	ZINC000449831580	560241806	/nfs/dbraw/zinc/24/18/06/560241806.db2.gz	XAWWJFGXXQUZRJ-CYBMUJFWSA-N	1	1	364.243	2.006	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNc2ncc(Br)cc2C#N)C1	ZINC000450224141	560254403	/nfs/dbraw/zinc/25/44/03/560254403.db2.gz	SIGOMAFDLNDERN-AWEZNQCLSA-N	1	1	353.264	2.484	20	30		FEEDMO
CC(C)[C@@H](CNc1ncc(Br)cc1C#N)[NH+]1CCOCC1	ZINC000450246359	560255520	/nfs/dbraw/zinc/25/55/20/560255520.db2.gz	USQPFYRBUYYWDZ-CQSZACIVSA-N	1	1	353.264	2.484	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)COc2ccc(C#N)c(Br)c2)CC[N@@H+]1C	ZINC000450382322	560260789	/nfs/dbraw/zinc/26/07/89/560260789.db2.gz	WBVCJAZGMBTFTA-NEPJUHHUSA-N	1	1	366.259	2.251	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)COc2cccc(Br)c2C#N)CC1	ZINC000450415684	560261564	/nfs/dbraw/zinc/26/15/64/560261564.db2.gz	DEVQOMLJOPAKOD-UHFFFAOYSA-N	1	1	364.243	2.078	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000450704213	560270856	/nfs/dbraw/zinc/27/08/56/560270856.db2.gz	UUHXNQPFROYKLX-AWEZNQCLSA-N	1	1	374.872	2.117	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1	ZINC000451151044	560290021	/nfs/dbraw/zinc/29/00/21/560290021.db2.gz	VEERVKWOTGLOLG-AWEZNQCLSA-N	1	1	355.891	2.416	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1	ZINC000451214414	560293709	/nfs/dbraw/zinc/29/37/09/560293709.db2.gz	WKJTXVIOSJVEOO-CLCXKQKWSA-N	1	1	350.507	2.043	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H]1C	ZINC000451236051	560294957	/nfs/dbraw/zinc/29/49/57/560294957.db2.gz	MKIDWSUKJZIZAP-CXAGYDPISA-N	1	1	353.463	2.332	20	30		FEEDMO
CN(CC[N@@H+](C)CCCC(C)(C)C#N)c1ccc(S(N)(=O)=O)cc1	ZINC000451266271	560297245	/nfs/dbraw/zinc/29/72/45/560297245.db2.gz	FEBGQYZFUISGFJ-UHFFFAOYSA-N	1	1	352.504	2.032	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451322423	560300131	/nfs/dbraw/zinc/30/01/31/560300131.db2.gz	UDKKYNCMQRNGNM-XHDPSFHLSA-N	1	1	353.875	2.167	20	30		FEEDMO
C[C@@H]1CN(Cc2cc(C#N)ccc2Br)C[C@H](C)[N@@H+]1CCO	ZINC000451666270	560320751	/nfs/dbraw/zinc/32/07/51/560320751.db2.gz	RKCKWKSNERHTEJ-BETUJISGSA-N	1	1	352.276	2.208	20	30		FEEDMO
C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](C)[N@H+]1CCO	ZINC000451670944	560321034	/nfs/dbraw/zinc/32/10/34/560321034.db2.gz	XQSRSROFRYZJEJ-CALCHBBNSA-N	1	1	368.481	2.125	20	30		FEEDMO
C[C@@H]1CN(CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H](C)[N@@H+]1CCO	ZINC000451670944	560321035	/nfs/dbraw/zinc/32/10/35/560321035.db2.gz	XQSRSROFRYZJEJ-CALCHBBNSA-N	1	1	368.481	2.125	20	30		FEEDMO
CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000451954886	560340523	/nfs/dbraw/zinc/34/05/23/560340523.db2.gz	OAFJSYMAMLQFMQ-GOEBONIOSA-N	1	1	359.474	2.014	20	30		FEEDMO
COC(=O)[C@H]1C[N@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1ccccc1	ZINC000451999247	560344127	/nfs/dbraw/zinc/34/41/27/560344127.db2.gz	CJWKGXYMLAITAV-MOPGFXCFSA-N	1	1	363.417	2.385	20	30		FEEDMO
COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1ccccc1	ZINC000451999247	560344128	/nfs/dbraw/zinc/34/41/28/560344128.db2.gz	CJWKGXYMLAITAV-MOPGFXCFSA-N	1	1	363.417	2.385	20	30		FEEDMO
C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000453470671	560387518	/nfs/dbraw/zinc/38/75/18/560387518.db2.gz	QUQKJONCQULDRA-IXDOHACOSA-N	1	1	363.506	2.251	20	30		FEEDMO
C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000453470671	560387519	/nfs/dbraw/zinc/38/75/19/560387519.db2.gz	QUQKJONCQULDRA-IXDOHACOSA-N	1	1	363.506	2.251	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)c1ccsc1	ZINC000453567719	560389062	/nfs/dbraw/zinc/38/90/62/560389062.db2.gz	AOGAEMSVJFIRCD-MRXNPFEDSA-N	1	1	356.451	2.172	20	30		FEEDMO
CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1	ZINC000453598000	560390434	/nfs/dbraw/zinc/39/04/34/560390434.db2.gz	INMKDGAAUITFBU-UHFFFAOYSA-N	1	1	372.469	2.227	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000453615768	560391416	/nfs/dbraw/zinc/39/14/16/560391416.db2.gz	GEKUVYAZFHUPCR-CQSZACIVSA-N	1	1	362.861	2.193	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000453770259	560402996	/nfs/dbraw/zinc/40/29/96/560402996.db2.gz	SRHDAQCJRDSTAA-VXGBXAGGSA-N	1	1	362.499	2.407	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000453770259	560402997	/nfs/dbraw/zinc/40/29/97/560402997.db2.gz	SRHDAQCJRDSTAA-VXGBXAGGSA-N	1	1	362.499	2.407	20	30		FEEDMO
C=CC(C)(C)CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1	ZINC000453884677	560410665	/nfs/dbraw/zinc/41/06/65/560410665.db2.gz	XQJPKWFGOZEWIV-OAHLLOKOSA-N	1	1	359.470	2.347	20	30		FEEDMO
C=CC(C)(C)CNC(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1	ZINC000453884676	560410669	/nfs/dbraw/zinc/41/06/69/560410669.db2.gz	XQJPKWFGOZEWIV-HNNXBMFYSA-N	1	1	359.470	2.347	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000453923802	560413537	/nfs/dbraw/zinc/41/35/37/560413537.db2.gz	XFLCHTAEXCFYHN-OFQRWUPVSA-N	1	1	372.494	2.039	20	30		FEEDMO
C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	ZINC000457111042	560550012	/nfs/dbraw/zinc/55/00/12/560550012.db2.gz	DWNJQAGXQWHRQG-INIZCTEOSA-N	1	1	365.433	2.489	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	ZINC000457111042	560550014	/nfs/dbraw/zinc/55/00/14/560550014.db2.gz	DWNJQAGXQWHRQG-INIZCTEOSA-N	1	1	365.433	2.489	20	30		FEEDMO
C=CCC1(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCCC1	ZINC000458450908	560624113	/nfs/dbraw/zinc/62/41/13/560624113.db2.gz	ZSSICPROLMKUDR-MRXNPFEDSA-N	1	1	350.507	2.152	20	30		FEEDMO
C=CC(C)(C)CNC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1	ZINC000458991138	560660808	/nfs/dbraw/zinc/66/08/08/560660808.db2.gz	SWESYDVLXBDZPB-UHFFFAOYSA-N	1	1	364.534	2.174	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)CCO1	ZINC000459103977	560667001	/nfs/dbraw/zinc/66/70/01/560667001.db2.gz	BMKVURODXAEXTA-AWEZNQCLSA-N	1	1	360.433	2.092	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCc2ccc(C#N)c(F)c2)C[C@H](C)O1	ZINC000459132830	560668952	/nfs/dbraw/zinc/66/89/52/560668952.db2.gz	XVKTUMJZAQCRRA-RVKKMQEKSA-N	1	1	374.460	2.481	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCc2ccc(C#N)c(F)c2)C[C@H](C)O1	ZINC000459132830	560668953	/nfs/dbraw/zinc/66/89/53/560668953.db2.gz	XVKTUMJZAQCRRA-RVKKMQEKSA-N	1	1	374.460	2.481	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+](Cc2cn(CC(N)=O)nn2)C(C)(C)C)cc1	ZINC000459307262	560678856	/nfs/dbraw/zinc/67/88/56/560678856.db2.gz	NWDBLWBAKIIOJK-UHFFFAOYSA-N	1	1	357.458	2.129	20	30		FEEDMO
C=CCOc1ccc(C[N@H+](Cc2cn(CC(N)=O)nn2)C(C)(C)C)cc1	ZINC000459307262	560678857	/nfs/dbraw/zinc/67/88/57/560678857.db2.gz	NWDBLWBAKIIOJK-UHFFFAOYSA-N	1	1	357.458	2.129	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000459670655	560701351	/nfs/dbraw/zinc/70/13/51/560701351.db2.gz	VJHVFXFVHGJXIY-CQSZACIVSA-N	1	1	361.408	2.430	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[NH+]([C@@H](C)CC)CC1	ZINC000459978826	560725655	/nfs/dbraw/zinc/72/56/55/560725655.db2.gz	UKULFZVCRUXTMZ-KRWDZBQOSA-N	1	1	370.497	2.240	20	30		FEEDMO
CC1=CC[N@@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1	ZINC000460231894	560738668	/nfs/dbraw/zinc/73/86/68/560738668.db2.gz	OIBMZBUGRKYRMF-FQEVSTJZSA-N	1	1	367.497	2.058	20	30		FEEDMO
C[N@@H+](CCc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C#N)c1)C1CC1	ZINC000461775557	560782903	/nfs/dbraw/zinc/78/29/03/560782903.db2.gz	LAQZSPRDMULBIS-YJBOKZPZSA-N	1	1	354.454	2.070	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCC[C@@H]3C#N)cc2)CC1	ZINC000461943027	560789068	/nfs/dbraw/zinc/78/90/68/560789068.db2.gz	VNDIKJHULVAGLX-WOJBJXKFSA-N	1	1	369.513	2.316	20	30		FEEDMO
N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1	ZINC000463449017	560815228	/nfs/dbraw/zinc/81/52/28/560815228.db2.gz	JKMMRWHLECDPRI-IFMALSPDSA-N	1	1	363.461	2.402	20	30		FEEDMO
N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1	ZINC000463449017	560815229	/nfs/dbraw/zinc/81/52/29/560815229.db2.gz	JKMMRWHLECDPRI-IFMALSPDSA-N	1	1	363.461	2.402	20	30		FEEDMO
N#Cc1ccccc1OCC[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1	ZINC000464800938	560851473	/nfs/dbraw/zinc/85/14/73/560851473.db2.gz	HUQULKJUCVOMKV-SFHVURJKSA-N	1	1	357.454	2.040	20	30		FEEDMO
N#Cc1ccccc1OCC[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1	ZINC000464800938	560851475	/nfs/dbraw/zinc/85/14/75/560851475.db2.gz	HUQULKJUCVOMKV-SFHVURJKSA-N	1	1	357.454	2.040	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCc1cccc(C#N)c1	ZINC000466811546	560896192	/nfs/dbraw/zinc/89/61/92/560896192.db2.gz	HOTLJIWOCUZTRF-UHFFFAOYSA-N	1	1	358.486	2.101	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNC(=O)CSCc2ccc(C#N)cc2)CCCO1	ZINC000470062123	560973272	/nfs/dbraw/zinc/97/32/72/560973272.db2.gz	MPZZYTLPWZQYQO-INIZCTEOSA-N	1	1	361.511	2.409	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1	ZINC000470100785	560974366	/nfs/dbraw/zinc/97/43/66/560974366.db2.gz	PLWLKOQAIFOWKQ-INIZCTEOSA-N	1	1	362.470	2.491	20	30		FEEDMO
C=CC[N@@H+](Cc1cc(=O)c(OC)co1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000472738347	561034191	/nfs/dbraw/zinc/03/41/91/561034191.db2.gz	LPMXDQORJXQIHT-CQSZACIVSA-N	1	1	367.409	2.373	20	30		FEEDMO
C=CC[N@H+](Cc1cc(=O)c(OC)co1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000472738347	561034192	/nfs/dbraw/zinc/03/41/92/561034192.db2.gz	LPMXDQORJXQIHT-CQSZACIVSA-N	1	1	367.409	2.373	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@@H]1CC(=O)OC	ZINC000476572429	561123056	/nfs/dbraw/zinc/12/30/56/561123056.db2.gz	QFCCBZZFPCLOQQ-IRXDYDNUSA-N	1	1	365.495	2.135	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)[C@H](C)C1	ZINC000476850723	561130112	/nfs/dbraw/zinc/13/01/12/561130112.db2.gz	KBTQVJBMMZHIRC-SJORKVTESA-N	1	1	368.481	2.472	20	30		FEEDMO
CCC(C#N)(CC)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000527980893	562310445	/nfs/dbraw/zinc/31/04/45/562310445.db2.gz	YGIXIAALTXGTCA-UHFFFAOYSA-N	1	1	356.470	2.020	20	30		FEEDMO
CCC(C#N)(CC)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1	ZINC000528115599	562314603	/nfs/dbraw/zinc/31/46/03/562314603.db2.gz	BLTVXSPPLNGXKK-UHFFFAOYSA-N	1	1	356.470	2.272	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)C[C@H](OC)c2ccc(F)cc2)CC1	ZINC000528322309	562322516	/nfs/dbraw/zinc/32/25/16/562322516.db2.gz	FMIVORZRGQMTNG-KRWDZBQOSA-N	1	1	356.463	2.083	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@@H+]([C@H]3CCN(C4CCCCC4)C3=O)C2)nc1	ZINC000528508062	562333044	/nfs/dbraw/zinc/33/30/44/562333044.db2.gz	RVLAQPYELUHBFS-MSOLQXFVSA-N	1	1	354.454	2.340	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+]([C@H]3CCN(C4CCCCC4)C3=O)C2)nc1	ZINC000528508062	562333045	/nfs/dbraw/zinc/33/30/45/562333045.db2.gz	RVLAQPYELUHBFS-MSOLQXFVSA-N	1	1	354.454	2.340	20	30		FEEDMO
C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000528530469	562334409	/nfs/dbraw/zinc/33/44/09/562334409.db2.gz	YEWKZRMNKGHHKK-HNAYVOBHSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000528530469	562334410	/nfs/dbraw/zinc/33/44/10/562334410.db2.gz	YEWKZRMNKGHHKK-HNAYVOBHSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[N@H+]1CCN(C[C@@H](O)COc2ccccc2C#N)[C@@H](Cc2ccccc2)C1	ZINC000528535417	562334778	/nfs/dbraw/zinc/33/47/78/562334778.db2.gz	UYIOOQDMRWLBDQ-LEWJYISDSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)[C@@H](Cc2ccccc2)C1	ZINC000528535417	562334779	/nfs/dbraw/zinc/33/47/79/562334779.db2.gz	UYIOOQDMRWLBDQ-LEWJYISDSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)[C@@H](Cc2ccccc2)C1	ZINC000528535417	562334780	/nfs/dbraw/zinc/33/47/80/562334780.db2.gz	UYIOOQDMRWLBDQ-LEWJYISDSA-N	1	1	365.477	2.157	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2ccc(COC)c(C#N)c2)CC[N@H+]1C[C@H](C)O	ZINC000529213591	562365227	/nfs/dbraw/zinc/36/52/27/562365227.db2.gz	SJOMHLXDTLHQOT-KSSFIOAISA-N	1	1	360.458	2.014	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)Cc2cccc(C#N)c2)c2cccs2)CC1	ZINC000530915660	562428615	/nfs/dbraw/zinc/42/86/15/562428615.db2.gz	IEERBAQRLCSLEA-SFHVURJKSA-N	1	1	368.506	2.267	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C	ZINC000533272135	562503415	/nfs/dbraw/zinc/50/34/15/562503415.db2.gz	KVRPMQNQILDGMM-KFWWJZLASA-N	1	1	374.510	2.463	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C	ZINC000533272135	562503416	/nfs/dbraw/zinc/50/34/16/562503416.db2.gz	KVRPMQNQILDGMM-KFWWJZLASA-N	1	1	374.510	2.463	20	30		FEEDMO
CC(C)n1ncc2cc(C[N@@H+](C)CCCc3[nH]nc(N)c3C#N)cnc21	ZINC000534098380	562525272	/nfs/dbraw/zinc/52/52/72/562525272.db2.gz	MOOULWPZYBNYRK-UHFFFAOYSA-N	1	1	352.446	2.254	20	30		FEEDMO
C=CCCOCCNC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000534518315	562535708	/nfs/dbraw/zinc/53/57/08/562535708.db2.gz	MWQGZVRBRGDITJ-IEBWSBKVSA-N	1	1	361.486	2.168	20	30		FEEDMO
C=CCCOCCNC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000534518315	562535709	/nfs/dbraw/zinc/53/57/09/562535709.db2.gz	MWQGZVRBRGDITJ-IEBWSBKVSA-N	1	1	361.486	2.168	20	30		FEEDMO
C=CCCOCCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000534518314	562535736	/nfs/dbraw/zinc/53/57/36/562535736.db2.gz	MWQGZVRBRGDITJ-HKUYNNGSSA-N	1	1	361.486	2.168	20	30		FEEDMO
C=CCCOCCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000534518314	562535737	/nfs/dbraw/zinc/53/57/37/562535737.db2.gz	MWQGZVRBRGDITJ-HKUYNNGSSA-N	1	1	361.486	2.168	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)[C@@H]1c1ccccc1	ZINC000534638901	562538842	/nfs/dbraw/zinc/53/88/42/562538842.db2.gz	NLWQXAPURDPBLW-AEFFLSMTSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)[C@@H]1c1ccccc1	ZINC000534638901	562538843	/nfs/dbraw/zinc/53/88/43/562538843.db2.gz	NLWQXAPURDPBLW-AEFFLSMTSA-N	1	1	359.426	2.421	20	30		FEEDMO
C=C1CC[NH+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000537247858	562588579	/nfs/dbraw/zinc/58/85/79/562588579.db2.gz	HIMVICMFGQULJA-LJQANCHMSA-N	1	1	356.445	2.187	20	30		FEEDMO
CC(=O)NCC[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000568117467	567890604	/nfs/dbraw/zinc/89/06/04/567890604.db2.gz	SFNCXCUVJGSSLC-AZUAARDMSA-N	1	1	368.481	2.292	20	30		FEEDMO
C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)C1=O	ZINC000602847841	568000648	/nfs/dbraw/zinc/00/06/48/568000648.db2.gz	DQEREQBMTUPTOF-GGXPGOJBSA-N	1	1	358.461	2.406	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1	ZINC000602924410	568018264	/nfs/dbraw/zinc/01/82/64/568018264.db2.gz	HYFHNBVHBGDMLY-WFASDCNBSA-N	1	1	357.376	2.337	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1	ZINC000602926005	568018634	/nfs/dbraw/zinc/01/86/34/568018634.db2.gz	MWGMTFCZFPSVTP-GDBMZVCRSA-N	1	1	357.376	2.383	20	30		FEEDMO
COC(=O)[C@@]1(C)C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000602933084	568020072	/nfs/dbraw/zinc/02/00/72/568020072.db2.gz	ZRCQMIIJUPGZHT-YRNRMSPPSA-N	1	1	357.454	2.453	20	30		FEEDMO
COC(=O)[C@@H]([NH2+]CCCNC(=O)c1cc2ccccc2n1CC#N)C(C)C	ZINC000603063344	568057201	/nfs/dbraw/zinc/05/72/01/568057201.db2.gz	ROWMHLVCAPIEGC-SFHVURJKSA-N	1	1	370.453	2.072	20	30		FEEDMO
C=C[C@H](CO)[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-]	ZINC000603432212	568097163	/nfs/dbraw/zinc/09/71/63/568097163.db2.gz	KYGJFKXQXDPQOV-SNVBAGLBSA-N	1	1	350.293	2.181	20	30		FEEDMO
COc1ccccc1CNC(=O)C[N@H+](C)CCOCc1ccc(C#N)cc1	ZINC000584684071	568188707	/nfs/dbraw/zinc/18/87/07/568188707.db2.gz	RFNMUPZPZXSSOH-UHFFFAOYSA-N	1	1	367.449	2.332	20	30		FEEDMO
COc1ccccc1CNC(=O)C[N@@H+](C)CCOCc1ccc(C#N)cc1	ZINC000584684071	568188708	/nfs/dbraw/zinc/18/87/08/568188708.db2.gz	RFNMUPZPZXSSOH-UHFFFAOYSA-N	1	1	367.449	2.332	20	30		FEEDMO
C#C[C@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C	ZINC000807878685	674433015	/nfs/dbraw/zinc/43/30/15/674433015.db2.gz	YPIJOJHDPAVOTB-HNNXBMFYSA-N	1	1	351.491	2.093	20	30		FEEDMO
N#Cc1ccnc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1Cl	ZINC000557625273	674458046	/nfs/dbraw/zinc/45/80/46/674458046.db2.gz	LFWMIIVJKSFAGI-DLBZAZTESA-N	1	1	356.857	2.902	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)c1ccc(Cl)cc1	ZINC000811904772	674637823	/nfs/dbraw/zinc/63/78/23/674637823.db2.gz	MRHZIIUNXVPWTR-QAPCUYQASA-N	1	1	362.905	2.340	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)o1	ZINC000564101936	674973710	/nfs/dbraw/zinc/97/37/10/674973710.db2.gz	MOXAUUWYBJSVKO-CQSZACIVSA-N	1	1	351.815	2.140	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1OCCC	ZINC000815860486	674979068	/nfs/dbraw/zinc/97/90/68/674979068.db2.gz	NSKHYQZMFWRXJC-UHFFFAOYSA-N	1	1	365.861	2.139	20	30		FEEDMO
C=CCCCNC(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000564528355	675032011	/nfs/dbraw/zinc/03/20/11/675032011.db2.gz	SKGUNQYDBCFPFL-CALCHBBNSA-N	1	1	353.507	2.252	20	30		FEEDMO
C=CCCCNC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000564528355	675032015	/nfs/dbraw/zinc/03/20/15/675032015.db2.gz	SKGUNQYDBCFPFL-CALCHBBNSA-N	1	1	353.507	2.252	20	30		FEEDMO
COc1ccc(CC(N)=[NH+]OCCCS(=O)(=O)c2ccccc2)cc1	ZINC000060454665	670386112	/nfs/dbraw/zinc/38/61/12/670386112.db2.gz	WKTZYEIGDYAVBI-UHFFFAOYSA-N	1	1	362.451	2.391	20	30		FEEDMO
C=CCn1c(Cc2csc(NC(=O)C[N@H+](C)C(C)C)n2)n[nH]c1=S	ZINC000063466246	670407557	/nfs/dbraw/zinc/40/75/57/670407557.db2.gz	ZMSFVYDGQKURCD-UHFFFAOYSA-N	1	1	366.516	2.453	20	30		FEEDMO
C#CCOc1ccc(Br)cc1C[NH2+]CC(=O)N(CC)CC	ZINC000064411543	670423815	/nfs/dbraw/zinc/42/38/15/670423815.db2.gz	VAXDZAJGBFYPTR-UHFFFAOYSA-N	1	1	353.260	2.419	20	30		FEEDMO
CN(CC#N)Cn1nc(C[NH+]2CCCC2)n(Cc2ccccc2)c1=S	ZINC000101536586	670767423	/nfs/dbraw/zinc/76/74/23/670767423.db2.gz	ZTCRDQACOZKPBL-UHFFFAOYSA-N	1	1	356.499	2.471	20	30		FEEDMO
C=C(Br)CNC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000105196753	670798873	/nfs/dbraw/zinc/79/88/73/670798873.db2.gz	ULACSXVGPJQZLR-MJBXVCDLSA-N	1	1	360.296	2.178	20	30		FEEDMO
C=C(Br)CNC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000105196753	670798876	/nfs/dbraw/zinc/79/88/76/670798876.db2.gz	ULACSXVGPJQZLR-MJBXVCDLSA-N	1	1	360.296	2.178	20	30		FEEDMO
CC(=O)NCC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCSCC1	ZINC000571526331	670886529	/nfs/dbraw/zinc/88/65/29/670886529.db2.gz	CJVPGRXKZARXAM-UHFFFAOYSA-N	1	1	362.455	2.300	20	30		FEEDMO
C[N@H+](CCc1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1)C1CC1	ZINC000571848449	670931013	/nfs/dbraw/zinc/93/10/13/670931013.db2.gz	YNHVOFOHDLVKOP-UHFFFAOYSA-N	1	1	356.451	2.391	20	30		FEEDMO
C[N@@H+](CCc1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1)C1CC1	ZINC000571848449	670931015	/nfs/dbraw/zinc/93/10/15/670931015.db2.gz	YNHVOFOHDLVKOP-UHFFFAOYSA-N	1	1	356.451	2.391	20	30		FEEDMO
CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000572806672	671046201	/nfs/dbraw/zinc/04/62/01/671046201.db2.gz	RXJPLGCDJLOOAG-LBPRGKRZSA-N	1	1	350.850	2.387	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)c1ccccc1	ZINC000580949105	671849632	/nfs/dbraw/zinc/84/96/32/671849632.db2.gz	BWCJJFLBZBNXPX-LJQANCHMSA-N	1	1	357.479	2.475	20	30		FEEDMO
N#Cc1ncc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1Cl	ZINC000581174963	671870301	/nfs/dbraw/zinc/87/03/01/671870301.db2.gz	MIUAXXPRZHRWRF-ZBFHGGJFSA-N	1	1	363.849	2.372	20	30		FEEDMO
C[C@@H]1SCC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)[C@H]1C	ZINC000118382236	671886055	/nfs/dbraw/zinc/88/60/55/671886055.db2.gz	ATRVZGTYVRGDJY-KBPBESRZSA-N	1	1	358.467	2.106	20	30		FEEDMO
C[C@@H]1SCC[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)[C@H]1C	ZINC000118382236	671886061	/nfs/dbraw/zinc/88/60/61/671886061.db2.gz	ATRVZGTYVRGDJY-KBPBESRZSA-N	1	1	358.467	2.106	20	30		FEEDMO
CC[C@H](CNS(=O)(=O)CC1(C#N)CCC1)[N@H+]1CCc2ccccc2C1	ZINC000582454069	672002919	/nfs/dbraw/zinc/00/29/19/672002919.db2.gz	LQQKPGPJFNBGCS-GOSISDBHSA-N	1	1	361.511	2.437	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O	ZINC000585800958	672236310	/nfs/dbraw/zinc/23/63/10/672236310.db2.gz	YVWRZYPUNXVWLQ-BZUAXINKSA-N	1	1	363.483	2.200	20	30		FEEDMO
C[C@@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1	ZINC000187925233	672579964	/nfs/dbraw/zinc/57/99/64/672579964.db2.gz	CXBCWIVIYXJGDE-AWEZNQCLSA-N	1	1	354.372	2.141	20	30		FEEDMO
CCc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccccc2C#N)cc1	ZINC000592387446	672796235	/nfs/dbraw/zinc/79/62/35/672796235.db2.gz	DRPOCKAHFBVLMS-SFHVURJKSA-N	1	1	355.463	2.456	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccsc1C#N	ZINC000593577393	672949057	/nfs/dbraw/zinc/94/90/57/672949057.db2.gz	JQJDJARKCQAYEC-UKRRQHHQSA-N	1	1	361.492	2.419	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccsc1C#N	ZINC000593577393	672949062	/nfs/dbraw/zinc/94/90/62/672949062.db2.gz	JQJDJARKCQAYEC-UKRRQHHQSA-N	1	1	361.492	2.419	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2csc(-c3nc[nH]n3)n2)C[C@@H](C)O1	ZINC000329513104	673078564	/nfs/dbraw/zinc/07/85/64/673078564.db2.gz	NRRNBKTVXKFTLS-GHMZBOCLSA-N	1	1	364.475	2.121	20	30		FEEDMO
O=C(N[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000329694942	673081910	/nfs/dbraw/zinc/08/19/10/673081910.db2.gz	CWFDJRRAXHTCRS-SJORKVTESA-N	1	1	350.484	2.432	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1	ZINC000329741897	673082627	/nfs/dbraw/zinc/08/26/27/673082627.db2.gz	OZAKNYFSEMFSOC-DYVFJYSZSA-N	1	1	365.499	2.114	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1	ZINC000594483772	673087857	/nfs/dbraw/zinc/08/78/57/673087857.db2.gz	PIKCVEHWEGXRQD-IRXDYDNUSA-N	1	1	351.447	2.134	20	30		FEEDMO
CCC(CC)[C@H](CNC(=O)N1CCC[C@@H](CC#N)C1)[NH+]1CCOCC1	ZINC000595447372	673252312	/nfs/dbraw/zinc/25/23/12/673252312.db2.gz	UXXQFWRPRYPQIB-WMZOPIPTSA-N	1	1	350.507	2.459	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)CC1	ZINC000595565912	673267681	/nfs/dbraw/zinc/26/76/81/673267681.db2.gz	FSQJZHVVNYYZCC-YESZJQIVSA-N	1	1	358.511	2.331	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c2ccccc2sc1C(=O)OC	ZINC000730285303	673268934	/nfs/dbraw/zinc/26/89/34/673268934.db2.gz	YYKGIHRDNGRTHU-HNNXBMFYSA-N	1	1	356.447	2.402	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1c2ccccc2sc1C(=O)OC	ZINC000730285303	673268936	/nfs/dbraw/zinc/26/89/36/673268936.db2.gz	YYKGIHRDNGRTHU-HNNXBMFYSA-N	1	1	356.447	2.402	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Cn3ccnn3)C2)cc1Cl	ZINC000595604777	673273087	/nfs/dbraw/zinc/27/30/87/673273087.db2.gz	CUVRLNRLXJQTKC-CYBMUJFWSA-N	1	1	358.833	2.154	20	30		FEEDMO
C[N@@H+](CCCCNC(=O)N1CCN(c2ccsc2C#N)CC1)C1CC1	ZINC000595645918	673278035	/nfs/dbraw/zinc/27/80/35/673278035.db2.gz	BHXUIKZEHAOGSI-UHFFFAOYSA-N	1	1	361.515	2.326	20	30		FEEDMO
N#Cc1ccc(C[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C2CC2)cc1	ZINC000730938133	673296067	/nfs/dbraw/zinc/29/60/67/673296067.db2.gz	ULBCDEJBVVPWET-UHFFFAOYSA-N	1	1	355.463	2.413	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccn2)CCC1=NNS(=O)(=O)c1ccccc1	ZINC000734361395	673461247	/nfs/dbraw/zinc/46/12/47/673461247.db2.gz	CFTXIPDXRLZEAR-OAHLLOKOSA-N	1	1	358.467	2.258	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NNS(=O)(=O)c1ccccc1	ZINC000734361395	673461249	/nfs/dbraw/zinc/46/12/49/673461249.db2.gz	CFTXIPDXRLZEAR-OAHLLOKOSA-N	1	1	358.467	2.258	20	30		FEEDMO
CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1	ZINC000598594295	673587414	/nfs/dbraw/zinc/58/74/14/673587414.db2.gz	GTNDCSALDRNFBR-INIZCTEOSA-N	1	1	363.889	2.327	20	30		FEEDMO
C[N@H+]1CCCC[C@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000599157546	673637247	/nfs/dbraw/zinc/63/72/47/673637247.db2.gz	XXFYUTGINXILIK-OAHLLOKOSA-N	1	1	361.515	2.183	20	30		FEEDMO
N#Cc1cnc2c(Br)cccc2c1NCC[N@@H+]1CC[C@H](O)C1	ZINC000599199431	673640105	/nfs/dbraw/zinc/64/01/05/673640105.db2.gz	KSZPPBDVJKFLFR-LBPRGKRZSA-N	1	1	361.243	2.347	20	30		FEEDMO
CO[C@]1(C(F)(F)F)CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599380855	673666962	/nfs/dbraw/zinc/66/69/62/673666962.db2.gz	ZTKGSGUCCXXTQT-DZGCQCFKSA-N	1	1	350.381	2.101	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000599586534	673694545	/nfs/dbraw/zinc/69/45/45/673694545.db2.gz	AMZGNBLAFVGXEK-OWCLPIDISA-N	1	1	351.491	2.294	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000599586534	673694546	/nfs/dbraw/zinc/69/45/46/673694546.db2.gz	AMZGNBLAFVGXEK-OWCLPIDISA-N	1	1	351.491	2.294	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c(Cl)c1	ZINC000599937678	673728925	/nfs/dbraw/zinc/72/89/25/673728925.db2.gz	HZXLADYFUSYCSP-NWDGAFQWSA-N	1	1	354.237	2.146	20	30		FEEDMO
C=CCn1nnn(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1=S	ZINC000743402641	673758842	/nfs/dbraw/zinc/75/88/42/673758842.db2.gz	NIVGKNRQZMIBHN-QGZVFWFLSA-N	1	1	358.515	2.406	20	30		FEEDMO
Cc1cc(C)c(CS(=O)(=O)CC(=O)Nc2ccc(C#N)cc2)c(C)[nH+]1	ZINC000600942312	673812324	/nfs/dbraw/zinc/81/23/24/673812324.db2.gz	ZOLVTJKYXYGMSK-UHFFFAOYSA-N	1	1	357.435	2.432	20	30		FEEDMO
N#Cc1c(Br)cccc1N1CC[NH+](CCc2cnccn2)CC1	ZINC000601253254	673835997	/nfs/dbraw/zinc/83/59/97/673835997.db2.gz	HUPHSAVQSRSTKT-UHFFFAOYSA-N	1	1	372.270	2.475	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@@H](c2c(F)cccc2Cl)N(C)C)CC1	ZINC000746191478	673866520	/nfs/dbraw/zinc/86/65/20/673866520.db2.gz	QOZZUWHZRVRHBW-QGZVFWFLSA-N	1	1	351.853	2.249	20	30		FEEDMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603298227	673923291	/nfs/dbraw/zinc/92/32/91/673923291.db2.gz	XJQWBPFYUNQJMS-OKILXGFUSA-N	1	1	350.488	2.022	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1	ZINC000818584402	675226151	/nfs/dbraw/zinc/22/61/51/675226151.db2.gz	LVCWHOAPAMLTEY-UHFFFAOYSA-N	1	1	368.231	2.351	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@H](C)Oc1cccc(Br)c1	ZINC000818609115	675228499	/nfs/dbraw/zinc/22/84/99/675228499.db2.gz	LDEDMFGJAZZCLP-CYBMUJFWSA-N	1	1	353.260	2.288	20	30		FEEDMO
C[C@H](SC[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000567849096	675328906	/nfs/dbraw/zinc/32/89/06/675328906.db2.gz	LWDNKXLGXYEZMO-RYUDHWBXSA-N	1	1	365.524	2.499	20	30		FEEDMO
C[C@H](SC[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000567849096	675328907	/nfs/dbraw/zinc/32/89/07/675328907.db2.gz	LWDNKXLGXYEZMO-RYUDHWBXSA-N	1	1	365.524	2.499	20	30		FEEDMO
C#CCN(CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)C(=O)OC(C)(C)C	ZINC000821986753	675462550	/nfs/dbraw/zinc/46/25/50/675462550.db2.gz	WXTXGGMJODVLJJ-JKSUJKDBSA-N	1	1	351.491	2.236	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1	ZINC000822153027	675471285	/nfs/dbraw/zinc/47/12/85/675471285.db2.gz	WKNYHMJIVRKEDV-QGZVFWFLSA-N	1	1	362.495	2.038	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1	ZINC000822153027	675471288	/nfs/dbraw/zinc/47/12/88/675471288.db2.gz	WKNYHMJIVRKEDV-QGZVFWFLSA-N	1	1	362.495	2.038	20	30		FEEDMO
C#C[C@@H]([NH2+]Cc1ncc(I)s1)C1CCOCC1	ZINC000827560840	675764960	/nfs/dbraw/zinc/76/49/60/675764960.db2.gz	VEMYAAVECBVDHY-SNVBAGLBSA-N	1	1	362.236	2.266	20	30		FEEDMO
Cc1c(Cl)cnc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1C#N	ZINC000603424450	675799125	/nfs/dbraw/zinc/79/91/25/675799125.db2.gz	WKRAHMFWBPOCJJ-HNNXBMFYSA-N	1	1	363.893	2.124	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2nc(C(C)C)ncc2Br)C1	ZINC000829582089	675884087	/nfs/dbraw/zinc/88/40/87/675884087.db2.gz	IUCPMAGPEZZDRK-GFCCVEGCSA-N	1	1	365.275	2.190	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nc(C(C)C)ncc2Br)C1	ZINC000829582089	675884088	/nfs/dbraw/zinc/88/40/88/675884088.db2.gz	IUCPMAGPEZZDRK-GFCCVEGCSA-N	1	1	365.275	2.190	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1	ZINC000618068348	676318565	/nfs/dbraw/zinc/31/85/65/676318565.db2.gz	VGBQFGHZXFPHGB-INIZCTEOSA-N	1	1	351.447	2.134	20	30		FEEDMO
C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619760228	676393713	/nfs/dbraw/zinc/39/37/13/676393713.db2.gz	DAUONNZBYGBFHB-AWEZNQCLSA-N	1	1	363.893	2.037	20	30		FEEDMO
CC(C)OCC[NH+]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1	ZINC000619826861	676396489	/nfs/dbraw/zinc/39/64/89/676396489.db2.gz	LYMCYFFXAYWMIZ-UHFFFAOYSA-N	1	1	364.877	2.464	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cc(S(C)(=O)=O)c(C)o1)C(C)C	ZINC000625558061	676657107	/nfs/dbraw/zinc/65/71/07/676657107.db2.gz	UMBPJILHCPNMBH-HNNXBMFYSA-N	1	1	368.499	2.420	20	30		FEEDMO
C=CCCC(C)(C)CNC(=O)NCC1([NH+]2CCOCC2)CCOCC1	ZINC000633299945	677041684	/nfs/dbraw/zinc/04/16/84/677041684.db2.gz	UETJAJWSWZPCHC-UHFFFAOYSA-N	1	1	353.507	2.159	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)C1=O	ZINC000639776677	677166348	/nfs/dbraw/zinc/16/63/48/677166348.db2.gz	ORMGKULMOIKTCP-UKRRQHHQSA-N	1	1	366.259	2.084	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)C1=O	ZINC000639776677	677166349	/nfs/dbraw/zinc/16/63/49/677166349.db2.gz	ORMGKULMOIKTCP-UKRRQHHQSA-N	1	1	366.259	2.084	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)nn1	ZINC000644675299	677247682	/nfs/dbraw/zinc/24/76/82/677247682.db2.gz	DDEXBQADUIPPTP-ZDUSSCGKSA-N	1	1	357.241	2.300	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)ccc1OCC#N	ZINC000760889520	680704268	/nfs/dbraw/zinc/70/42/68/680704268.db2.gz	QZQXKVONJZFAMO-UHFFFAOYSA-N	1	1	358.833	2.484	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CC)[C@@H](O)c1c(F)cccc1F	ZINC000838622838	680706506	/nfs/dbraw/zinc/70/65/06/680706506.db2.gz	PYGDECBETDCRGF-DOTOQJQBSA-N	1	1	353.413	2.031	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl	ZINC000838623205	680706696	/nfs/dbraw/zinc/70/66/96/680706696.db2.gz	UYODEWNIHQPTCR-MLGOLLRUSA-N	1	1	355.841	2.155	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C)C(C)(C)C	ZINC000661755512	678529956	/nfs/dbraw/zinc/52/99/56/678529956.db2.gz	SCZTUIFIRAGBDT-UHFFFAOYSA-N	1	1	353.488	2.176	20	30		FEEDMO
C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1	ZINC000662085616	678575537	/nfs/dbraw/zinc/57/55/37/678575537.db2.gz	IEUKNNJUZUCWDK-IYBDPMFKSA-N	1	1	363.483	2.025	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)C1=O	ZINC000840029913	680794123	/nfs/dbraw/zinc/79/41/23/680794123.db2.gz	HLRQQCHWWKWFPC-GJZGRUSLSA-N	1	1	352.479	2.103	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@](O)(C(F)F)C2)cc1	ZINC000831170675	679939991	/nfs/dbraw/zinc/93/99/91/679939991.db2.gz	WOLFZAPRRUOZSF-RDTXWAMCSA-N	1	1	351.397	2.332	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@](O)(C(F)F)C2)cc1	ZINC000831170675	679939995	/nfs/dbraw/zinc/93/99/95/679939995.db2.gz	WOLFZAPRRUOZSF-RDTXWAMCSA-N	1	1	351.397	2.332	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(CC)s2)C1	ZINC001019488265	680094621	/nfs/dbraw/zinc/09/46/21/680094621.db2.gz	ZDWGAVKMAZYJML-ZQIUZPCESA-N	1	1	364.515	2.162	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC3)s2)C1	ZINC001020726632	680113710	/nfs/dbraw/zinc/11/37/10/680113710.db2.gz	PPMFYYDGIYSZBZ-YXWQFLTLSA-N	1	1	362.499	2.134	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1	ZINC000992685477	680124018	/nfs/dbraw/zinc/12/40/18/680124018.db2.gz	CWSUHJIWUUOKGX-QMTMVMCOSA-N	1	1	367.921	2.166	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3csc(C)n3)C[C@H]21	ZINC000978844316	680181877	/nfs/dbraw/zinc/18/18/77/680181877.db2.gz	VOCGPOYHHXNZNR-TXTZMMAHSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3csc(C)n3)C[C@H]21	ZINC000978844316	680181881	/nfs/dbraw/zinc/18/18/81/680181881.db2.gz	VOCGPOYHHXNZNR-TXTZMMAHSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCc1ccns1)C2	ZINC000982023495	680263738	/nfs/dbraw/zinc/26/37/38/680263738.db2.gz	JKXIELMACVGHIE-SJORKVTESA-N	1	1	361.511	2.201	20	30		FEEDMO
C=C(Br)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001023605890	680266118	/nfs/dbraw/zinc/26/61/18/680266118.db2.gz	LWLIVRAYOGCJIL-TUVASFSCSA-N	1	1	357.292	2.291	20	30		FEEDMO
C=C(Br)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001023605890	680266120	/nfs/dbraw/zinc/26/61/20/680266120.db2.gz	LWLIVRAYOGCJIL-TUVASFSCSA-N	1	1	357.292	2.291	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCC(=NNCCC[NH+]2CCOCC2)C1(C)C	ZINC000834976473	680285727	/nfs/dbraw/zinc/28/57/27/680285727.db2.gz	LKLHCXARUNLUPI-UHFFFAOYSA-N	1	1	354.495	2.074	20	30		FEEDMO
O=[N+]([O-])c1ccc(OC(F)F)c(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c1	ZINC000753927502	680324833	/nfs/dbraw/zinc/32/48/33/680324833.db2.gz	CRPPEEDBGTWBFF-RYUDHWBXSA-N	1	1	353.329	2.390	20	30		FEEDMO
O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1)[C@]12C[C@H]1COC2	ZINC001027896046	680363585	/nfs/dbraw/zinc/36/35/85/680363585.db2.gz	FXGJTSYSEDGNFY-QRFRQXIXSA-N	1	1	358.869	2.309	20	30		FEEDMO
O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1)[C@]12C[C@H]1COC2	ZINC001027896046	680363593	/nfs/dbraw/zinc/36/35/93/680363593.db2.gz	FXGJTSYSEDGNFY-QRFRQXIXSA-N	1	1	358.869	2.309	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCn1cc(Cl)cn1	ZINC001028195758	680372689	/nfs/dbraw/zinc/37/26/89/680372689.db2.gz	UUFTVQHGLMTXIP-ULQDDVLXSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCn1cc(Cl)cn1	ZINC001028195758	680372693	/nfs/dbraw/zinc/37/26/93/680372693.db2.gz	UUFTVQHGLMTXIP-ULQDDVLXSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1	ZINC001028546456	680373424	/nfs/dbraw/zinc/37/34/24/680373424.db2.gz	WIWYFOLVRXQCEA-HYVNUMGLSA-N	1	1	362.905	2.345	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1	ZINC001028546456	680373428	/nfs/dbraw/zinc/37/34/28/680373428.db2.gz	WIWYFOLVRXQCEA-HYVNUMGLSA-N	1	1	362.905	2.345	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCC[N@H+](Cc2cnns2)CC1	ZINC000998129564	680377013	/nfs/dbraw/zinc/37/70/13/680377013.db2.gz	IXFUGZMHEOYMFR-UAGQMJEPSA-N	1	1	364.515	2.332	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CCC[N@@H+](Cc2cnns2)CC1	ZINC000998129564	680377018	/nfs/dbraw/zinc/37/70/18/680377018.db2.gz	IXFUGZMHEOYMFR-UAGQMJEPSA-N	1	1	364.515	2.332	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3C3CCC3)nn2)C1	ZINC001000026766	680417437	/nfs/dbraw/zinc/41/74/37/680417437.db2.gz	CSHFDOSDQSSBOQ-YESZJQIVSA-N	1	1	363.893	2.330	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3C3CCC3)nn2)C1	ZINC001000026766	680417439	/nfs/dbraw/zinc/41/74/39/680417439.db2.gz	CSHFDOSDQSSBOQ-YESZJQIVSA-N	1	1	363.893	2.330	20	30		FEEDMO
C=C(Br)CN1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC001033837893	680425792	/nfs/dbraw/zinc/42/57/92/680425792.db2.gz	KQXWSQDIVQXEAJ-QLFBSQMISA-N	1	1	358.324	2.158	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(CC)s1	ZINC001035074840	680443065	/nfs/dbraw/zinc/44/30/65/680443065.db2.gz	IQHYZLBCRQZAJS-KEYYUXOJSA-N	1	1	364.515	2.162	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](CCCO)C2)CC1	ZINC001035237378	680444607	/nfs/dbraw/zinc/44/46/07/680444607.db2.gz	ZRJKITIPPYGMBQ-ROUUACIJSA-N	1	1	350.503	2.055	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1	ZINC001035543996	680450972	/nfs/dbraw/zinc/45/09/72/680450972.db2.gz	YNPQEJZPESLRJM-SQNIBIBYSA-N	1	1	350.503	2.221	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3Cl)[C@@H]2C)CC[N@H+]1C	ZINC001040269664	680469918	/nfs/dbraw/zinc/46/99/18/680469918.db2.gz	ZYGXZEGPWZDCJV-FIRUKDTASA-N	1	1	361.877	2.348	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCc1ccc(F)c(Br)c1	ZINC000836488678	680476087	/nfs/dbraw/zinc/47/60/87/680476087.db2.gz	PIQPQPWPNGVCEV-UHFFFAOYSA-N	1	1	370.266	2.385	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2cc(OC)ns2)CC1	ZINC001001844544	680477938	/nfs/dbraw/zinc/47/79/38/680477938.db2.gz	OWFOKDWRZCPLGC-CVEARBPZSA-N	1	1	365.499	2.071	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(C(=O)[C@]45C[C@H]4COC5)C3)C2)s1	ZINC001041304969	680504030	/nfs/dbraw/zinc/50/40/30/680504030.db2.gz	QLTQLCXJSGCSPD-KYNGSXCRSA-N	1	1	357.479	2.081	20	30		FEEDMO
C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C	ZINC001042425910	680530297	/nfs/dbraw/zinc/53/02/97/680530297.db2.gz	GSQLRTNYKNVCQW-RTXFEEFZSA-N	1	1	367.906	2.093	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1	ZINC001043096215	680560340	/nfs/dbraw/zinc/56/03/40/680560340.db2.gz	WWOKFINTXYTVBJ-JLLWLGSASA-N	1	1	353.879	2.021	20	30		FEEDMO
C[C@@H](O)CN(C)[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1	ZINC000841651380	680904588	/nfs/dbraw/zinc/90/45/88/680904588.db2.gz	GGRSZGJNSUMFQB-CQSZACIVSA-N	1	1	360.483	2.293	20	30		FEEDMO
Brc1cc(C=NNC2=[NH+]CCN2)ccc1N1CCCCC1	ZINC000841658539	680905057	/nfs/dbraw/zinc/90/50/57/680905057.db2.gz	AXSOTJJQJOWMDF-UHFFFAOYSA-N	1	1	350.264	2.322	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)[C@]23C[C@H]2COC3)s1	ZINC001049492399	681033521	/nfs/dbraw/zinc/03/35/21/681033521.db2.gz	UNQNKYYFNPWQSM-UHEFJODHSA-N	1	1	357.479	2.222	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCCN(c3snc(Cl)c3C#N)CC2)CC[N@H+]1C	ZINC001057248409	681159662	/nfs/dbraw/zinc/15/96/62/681159662.db2.gz	LPPZMONKIMNTIQ-VXGBXAGGSA-N	1	1	367.906	2.047	20	30		FEEDMO
C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnn(C)c3)CC[C@@H]2C1	ZINC000946792092	681261656	/nfs/dbraw/zinc/26/16/56/681261656.db2.gz	DZCISSHICMSEBD-CIRFHOKZSA-N	1	1	362.905	2.447	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@@H]1CCCO1	ZINC000775784837	681334688	/nfs/dbraw/zinc/33/46/88/681334688.db2.gz	LGZJZEPNBAKLDG-CABCVRRESA-N	1	1	355.265	2.423	20	30		FEEDMO
C#C[C@@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCCO1	ZINC000775792252	681335668	/nfs/dbraw/zinc/33/56/68/681335668.db2.gz	YZZIWDNSQHYGJP-YPMHNXCESA-N	1	1	356.325	2.475	20	30		FEEDMO
C#C[C@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCCO1	ZINC000775792251	681335821	/nfs/dbraw/zinc/33/58/21/681335821.db2.gz	YZZIWDNSQHYGJP-WCQYABFASA-N	1	1	356.325	2.475	20	30		FEEDMO
C#C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@@H]1CCCO1	ZINC000775805904	681337079	/nfs/dbraw/zinc/33/70/79/681337079.db2.gz	HXOPZJACUDWHDG-KBPBESRZSA-N	1	1	352.228	2.491	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cccc(Br)c2OC)CC1	ZINC000775910772	681347736	/nfs/dbraw/zinc/34/77/36/681347736.db2.gz	JMFKBVKFDBCERC-UHFFFAOYSA-N	1	1	365.271	2.419	20	30		FEEDMO
C=CC1(CC(=O)NCC[N@@H+]2CC[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000933929609	681486215	/nfs/dbraw/zinc/48/62/15/681486215.db2.gz	PPEZXTZLQLYACS-HNNXBMFYSA-N	1	1	351.491	2.258	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(OC(F)F)c1	ZINC000934262487	681537365	/nfs/dbraw/zinc/53/73/65/681537365.db2.gz	KFJJEIDXSVKAEN-HOTGVXAUSA-N	1	1	351.397	2.191	20	30		FEEDMO
C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000948547283	681588524	/nfs/dbraw/zinc/58/85/24/681588524.db2.gz	VZFJQHLFERAWQG-ZNMIVQPWSA-N	1	1	364.408	2.222	20	30		FEEDMO
C=CCNC(=[NH2+])NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1	ZINC000849086020	681651446	/nfs/dbraw/zinc/65/14/46/681651446.db2.gz	LODVCNQEABYHDA-UHFFFAOYSA-N	1	1	355.408	2.257	20	30		FEEDMO
CC(C)(CC[NH+]1CCOCC1)NC(=O)CSCc1ccc(C#N)cc1	ZINC000912953931	685467857	/nfs/dbraw/zinc/46/78/57/685467857.db2.gz	PPVWLBSIYXGIHQ-UHFFFAOYSA-N	1	1	361.511	2.409	20	30		FEEDMO
C[N@H+]1C[C@@]2(C)CN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)C[C@@]2(C)C1	ZINC000913275200	685474920	/nfs/dbraw/zinc/47/49/20/685474920.db2.gz	ACINXJYDESWGDP-IYBDPMFKSA-N	1	1	352.360	2.386	20	30		FEEDMO
CCOCCOc1ccc(Br)cc1C=NNC1=[NH+]C[C@@H](C)N1	ZINC000779794195	681753867	/nfs/dbraw/zinc/75/38/67/681753867.db2.gz	DMHCHOPPWGTQDM-LLVKDONJSA-N	1	1	369.263	2.136	20	30		FEEDMO
CCOc1cc(C=NNC2=[NH+]C[C@H](C)N2)cc(Br)c1OC	ZINC000779805778	681755005	/nfs/dbraw/zinc/75/50/05/681755005.db2.gz	RNNUNBHBMWZUKR-VIFPVBQESA-N	1	1	355.236	2.128	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1csc(C#N)c1)c1ccc(F)cc1	ZINC000913947595	685489862	/nfs/dbraw/zinc/48/98/62/685489862.db2.gz	HEZFJAWNXVNCBI-MRXNPFEDSA-N	1	1	367.471	2.481	20	30		FEEDMO
CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)Cc1csc(C#N)c1	ZINC000914200802	685498594	/nfs/dbraw/zinc/49/85/94/685498594.db2.gz	QATHNLYEQYGGSW-GJZGRUSLSA-N	1	1	353.513	2.398	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)Cc1csc(C#N)c1	ZINC000914200802	685498595	/nfs/dbraw/zinc/49/85/95/685498595.db2.gz	QATHNLYEQYGGSW-GJZGRUSLSA-N	1	1	353.513	2.398	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1	ZINC000914273421	685502044	/nfs/dbraw/zinc/50/20/44/685502044.db2.gz	GNKKEQOOTHPGBR-RHSMWYFYSA-N	1	1	365.524	2.398	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@H]21	ZINC000959949197	682013200	/nfs/dbraw/zinc/01/32/00/682013200.db2.gz	WMWOXBSQKGOAIE-LFRCEIEQSA-N	1	1	361.873	2.263	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@H]21	ZINC000959949197	682013205	/nfs/dbraw/zinc/01/32/05/682013205.db2.gz	WMWOXBSQKGOAIE-LFRCEIEQSA-N	1	1	361.873	2.263	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC000961376960	682091392	/nfs/dbraw/zinc/09/13/92/682091392.db2.gz	UKSCXYYZPYLVFL-SZMVWBNQSA-N	1	1	370.921	2.493	20	30		FEEDMO
C=CCn1c(C)nn(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1=S	ZINC000782913165	682093634	/nfs/dbraw/zinc/09/36/34/682093634.db2.gz	KWUCJWJZUWPGON-CQSZACIVSA-N	1	1	351.520	2.051	20	30		FEEDMO
C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(F)(F)F)CC2)C1	ZINC000941456265	682126989	/nfs/dbraw/zinc/12/69/89/682126989.db2.gz	MYNGQAAQNPRTCR-HZPDHXFCSA-N	1	1	357.420	2.146	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@@H]2C1	ZINC000916663407	685526750	/nfs/dbraw/zinc/52/67/50/685526750.db2.gz	FEKLKDSDIODWLD-YPMHNXCESA-N	1	1	373.400	2.149	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(COC(=O)N2)CC1	ZINC000784456677	682228750	/nfs/dbraw/zinc/22/87/50/682228750.db2.gz	ABTASQRHYXIEHI-NSHDSACASA-N	1	1	362.817	2.113	20	30		FEEDMO
C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC000968916716	682250105	/nfs/dbraw/zinc/25/01/05/682250105.db2.gz	GWCTVSABWWNYQJ-ZNMIVQPWSA-N	1	1	364.408	2.270	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)O[C@@H](C)C(=O)N1CC[NH+](CC)CC1	ZINC000784752807	682252110	/nfs/dbraw/zinc/25/21/10/682252110.db2.gz	SZZUUSPCZLOLDE-HOTGVXAUSA-N	1	1	355.479	2.053	20	30		FEEDMO
C[C@@H](NC(=O)[C@]12C[C@H]1COC2)C1C[NH+](CC#Cc2cccc(Cl)c2)C1	ZINC000969713094	682274159	/nfs/dbraw/zinc/27/41/59/682274159.db2.gz	IIOXXWDWCOGOJZ-LIVBEALHSA-N	1	1	358.869	2.165	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)C1=O	ZINC000852604663	682307638	/nfs/dbraw/zinc/30/76/38/682307638.db2.gz	SPBQHEAIYBZZJM-OWCLPIDISA-N	1	1	351.491	2.399	20	30		FEEDMO
C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)C1	ZINC000972382510	682411348	/nfs/dbraw/zinc/41/13/48/682411348.db2.gz	ZMQSRHCNXGHVQB-HLIPFELVSA-N	1	1	358.507	2.487	20	30		FEEDMO
C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)C1	ZINC000972382510	682411350	/nfs/dbraw/zinc/41/13/50/682411350.db2.gz	ZMQSRHCNXGHVQB-HLIPFELVSA-N	1	1	358.507	2.487	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1)[C@H]1CCCO1	ZINC000795815836	683095053	/nfs/dbraw/zinc/09/50/53/683095053.db2.gz	BGQQWWVTJRTICV-HRCADAONSA-N	1	1	370.902	2.470	20	30		FEEDMO
N#Cc1ccc(Br)c(CN[C@@H]2CCC[N@@H+](CCCO)C2)c1	ZINC000922153967	683670798	/nfs/dbraw/zinc/67/07/98/683670798.db2.gz	GPEDERDHGQHYLB-OAHLLOKOSA-N	1	1	352.276	2.257	20	30		FEEDMO
N#Cc1ccc(Br)c(CN[C@@H]2CCC[N@H+](CCCO)C2)c1	ZINC000922153967	683670803	/nfs/dbraw/zinc/67/08/03/683670803.db2.gz	GPEDERDHGQHYLB-OAHLLOKOSA-N	1	1	352.276	2.257	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NN=C2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-]	ZINC000863065559	683675253	/nfs/dbraw/zinc/67/52/53/683675253.db2.gz	YMAAAMRSWPRLPN-UHFFFAOYSA-N	1	1	354.432	2.042	20	30		FEEDMO
Fc1cccc(C=NNCCC[NH+]2CCOCC2)c1OCC(F)(F)F	ZINC000863111394	683677740	/nfs/dbraw/zinc/67/77/40/683677740.db2.gz	ZQVOEXMFGDHIJR-UHFFFAOYSA-N	1	1	363.355	2.413	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)CC(C)(C)C=NN[C@@H]1CCCS(=O)(=O)C1	ZINC000863130631	683679142	/nfs/dbraw/zinc/67/91/42/683679142.db2.gz	QHRBMYDXRBQEGF-QGZVFWFLSA-N	1	1	351.516	2.297	20	30		FEEDMO
C#CC[C@H](CCOC)[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F	ZINC000863390404	683714180	/nfs/dbraw/zinc/71/41/80/683714180.db2.gz	JSPCVPXXHAYMKD-RISCZKNCSA-N	1	1	357.223	2.133	20	30		FEEDMO
C[C@](O)(C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)C(F)(F)C(F)(F)F	ZINC000930452039	683736402	/nfs/dbraw/zinc/73/64/02/683736402.db2.gz	FZLRIMHBQGOODK-YIZRAAEISA-N	1	1	359.257	2.428	20	30		FEEDMO
C[C@@](O)(C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(F)(F)C(F)(F)F	ZINC000930541957	683749137	/nfs/dbraw/zinc/74/91/37/683749137.db2.gz	QRPYNILNTGDVTH-DGCLKSJQSA-N	1	1	365.302	2.355	20	30		FEEDMO
C=CCCn1cc(C[NH2+]CC2(n3cc(Br)cn3)CC2)nn1	ZINC000922803108	683786168	/nfs/dbraw/zinc/78/61/68/683786168.db2.gz	VJRLHCCLQOQGDR-UHFFFAOYSA-N	1	1	351.252	2.092	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1	ZINC000866271224	684087145	/nfs/dbraw/zinc/08/71/45/684087145.db2.gz	GFNYSQVIHAGTIT-OCCSQVGLSA-N	1	1	359.898	2.480	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(F)cc(C#N)c1)c1cccs1	ZINC000866404358	684098946	/nfs/dbraw/zinc/09/89/46/684098946.db2.gz	ZKOATGUWYOWLII-AWEZNQCLSA-N	1	1	353.444	2.340	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CC(C)(C)CNC(=O)OC(C)(C)C)CC1	ZINC000931344372	684265127	/nfs/dbraw/zinc/26/51/27/684265127.db2.gz	LHCKVXBGPGVGHB-UHFFFAOYSA-N	1	1	351.491	2.095	20	30		FEEDMO
N#Cc1sc(NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)nc1Cl	ZINC000931724482	684337062	/nfs/dbraw/zinc/33/70/62/684337062.db2.gz	HXANUVRTUZDOQR-SNVBAGLBSA-N	1	1	355.851	2.043	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CCOCC1	ZINC000931908763	684368329	/nfs/dbraw/zinc/36/83/29/684368329.db2.gz	BWAVUCBSYVBIFW-GXTWGEPZSA-N	1	1	350.356	2.424	20	30		FEEDMO
COc1cc(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c(F)cc1C#N	ZINC000931983721	684382263	/nfs/dbraw/zinc/38/22/63/684382263.db2.gz	JVAADDOYRIUVDU-ZFWWWQNUSA-N	1	1	364.446	2.407	20	30		FEEDMO
C=CCN1C(=O)N(CC[NH+]2CCSCC2)C(=O)[C@@H]1Cc1ccccc1	ZINC000925283544	684546380	/nfs/dbraw/zinc/54/63/80/684546380.db2.gz	QMDSXZJFLJJXAE-KRWDZBQOSA-N	1	1	359.495	2.097	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ncc(Br)s1	ZINC000872239065	684931057	/nfs/dbraw/zinc/93/10/57/684931057.db2.gz	CJVBGJAXGZMCIF-LLVKDONJSA-N	1	1	368.256	2.307	20	30		FEEDMO
CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1	ZINC000876938166	686297787	/nfs/dbraw/zinc/29/77/87/686297787.db2.gz	SKLAHUGPAPGEON-UHFFFAOYSA-N	1	1	364.858	2.147	20	30		FEEDMO
C=CC[C@@H](C(=O)OC)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000878174254	686535283	/nfs/dbraw/zinc/53/52/83/686535283.db2.gz	MSCVIINHOSFNMV-IBGZPJMESA-N	1	1	351.535	2.232	20	30		FEEDMO
N#CCC1(C[NH+]2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CC1	ZINC000878675004	686631955	/nfs/dbraw/zinc/63/19/55/686631955.db2.gz	JRBAAGAUBZQLIU-KGLIPLIRSA-N	1	1	359.392	2.228	20	30		FEEDMO
COC(=O)CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000880040300	686982041	/nfs/dbraw/zinc/98/20/41/686982041.db2.gz	GQJVFQXXINOXTM-DZGCQCFKSA-N	1	1	361.467	2.390	20	30		FEEDMO
COC(=O)CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000880040300	686982047	/nfs/dbraw/zinc/98/20/47/686982047.db2.gz	GQJVFQXXINOXTM-DZGCQCFKSA-N	1	1	361.467	2.390	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@H](CF)C2)CC1	ZINC000880237360	687021327	/nfs/dbraw/zinc/02/13/27/687021327.db2.gz	VPJKDOLWCFSNIP-HZPDHXFCSA-N	1	1	364.490	2.138	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](CF)C1	ZINC000880291613	687028384	/nfs/dbraw/zinc/02/83/84/687028384.db2.gz	HHEGMUOTDQBOBN-OAHLLOKOSA-N	1	1	350.438	2.243	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](CF)C1	ZINC000880291613	687028387	/nfs/dbraw/zinc/02/83/87/687028387.db2.gz	HHEGMUOTDQBOBN-OAHLLOKOSA-N	1	1	350.438	2.243	20	30		FEEDMO
CC(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1	ZINC000880312308	687032451	/nfs/dbraw/zinc/03/24/51/687032451.db2.gz	YGVSNKFBJGIEQI-IYBDPMFKSA-N	1	1	352.356	2.347	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1	ZINC000887965637	688527621	/nfs/dbraw/zinc/52/76/21/688527621.db2.gz	KPXCWSMBEBCPDQ-IRXDYDNUSA-N	1	1	357.483	2.047	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2nc(Cl)c(C#N)s2)C1	ZINC000888406678	688605687	/nfs/dbraw/zinc/60/56/87/688605687.db2.gz	FGQCKNPWPAZTLJ-JTQLQIEISA-N	1	1	357.867	2.146	20	30		FEEDMO
C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2nc(Cl)c(C#N)s2)CC1	ZINC000888417626	688608456	/nfs/dbraw/zinc/60/84/56/688608456.db2.gz	JVVGUNLJYYFHAV-UHFFFAOYSA-N	1	1	370.910	2.206	20	30		FEEDMO
CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ncc(C#N)s2)[C@H](c2cnn(C)c2)C1	ZINC000896494058	689881038	/nfs/dbraw/zinc/88/10/38/689881038.db2.gz	HRUCUOMTLSGEJD-CABCVRRESA-N	1	1	358.471	2.201	20	30		FEEDMO
C#CC[N@@H+](C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C(C)C	ZINC000897171150	689984633	/nfs/dbraw/zinc/98/46/33/689984633.db2.gz	RNIDWVQUYSEVGD-INIZCTEOSA-N	1	1	351.491	2.093	20	30		FEEDMO
CC(C)(C)OC(=O)N1[C@@H](C[NH2+]Cc2nc(C#N)cs2)COC1(C)C	ZINC000897629221	690052896	/nfs/dbraw/zinc/05/28/96/690052896.db2.gz	HTYXLSVWFAXDBE-LBPRGKRZSA-N	1	1	352.460	2.476	20	30		FEEDMO
C[N@@H+](CCO)CCNC(=O)c1ccc(Sc2ccccc2C#N)cc1	ZINC000899735129	690415906	/nfs/dbraw/zinc/41/59/06/690415906.db2.gz	XRWSPLKGKHGLBG-UHFFFAOYSA-N	1	1	355.463	2.363	20	30		FEEDMO
C=CCC[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)[C@]1(C)CCCCO1	ZINC000902792792	690807839	/nfs/dbraw/zinc/80/78/39/690807839.db2.gz	DIWCARWLFJGNGB-HBFSDRIKSA-N	1	1	351.535	2.457	20	30		FEEDMO
CC(=O)CCc1ccc(OC[C@H](O)C[NH2+]Cc2nc(C#N)cs2)cc1	ZINC000905655294	691157208	/nfs/dbraw/zinc/15/72/08/691157208.db2.gz	KUHCOCWEBDIAMV-MRXNPFEDSA-N	1	1	359.451	2.066	20	30		FEEDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc3c(C#N)c[nH]c3n1)CC2	ZINC001164650054	719313419	/nfs/dbraw/zinc/31/34/19/719313419.db2.gz	AIJDRIODWLZTHL-UHFFFAOYSA-N	1	1	364.457	2.231	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(Cl)nc1C#N)C2	ZINC001164812742	720086479	/nfs/dbraw/zinc/08/64/79/720086479.db2.gz	ROASWTDHFIDTJJ-KDOFPFPSSA-N	1	1	361.877	2.186	20	30		FEEDMO
Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)n1	ZINC001164903825	721548957	/nfs/dbraw/zinc/54/89/57/721548957.db2.gz	DCBPLXZOWGHIQH-NVXWUHKLSA-N	1	1	353.401	2.138	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(F)c2C#N)[C@H]2CCCO[C@H]12	ZINC001164808780	721562498	/nfs/dbraw/zinc/56/24/98/721562498.db2.gz	VPPSBXORABSBQS-OTWHNJEPSA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(F)c2C#N)[C@H]2CCCO[C@H]12	ZINC001164808780	721562502	/nfs/dbraw/zinc/56/25/02/721562502.db2.gz	VPPSBXORABSBQS-OTWHNJEPSA-N	1	1	367.428	2.356	20	30		FEEDMO
Cc1ccc(C#N)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164982310	722106107	/nfs/dbraw/zinc/10/61/07/722106107.db2.gz	NKMIKTUPVATYIY-UXHICEINSA-N	1	1	363.465	2.384	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000041789194	540032857	/nfs/dbraw/zinc/03/28/57/540032857.db2.gz	FPFAVLQLVBJQKP-MRXNPFEDSA-N	1	1	372.469	2.156	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000041956547	540042356	/nfs/dbraw/zinc/04/23/56/540042356.db2.gz	WOKGNZKWOWPQEX-HNNXBMFYSA-N	1	1	362.433	2.060	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1	ZINC000041956547	540042357	/nfs/dbraw/zinc/04/23/57/540042357.db2.gz	WOKGNZKWOWPQEX-HNNXBMFYSA-N	1	1	362.433	2.060	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)[N@H+]3CCCC[C@@H]3C)cc2C1=O	ZINC000046593539	540263170	/nfs/dbraw/zinc/26/31/70/540263170.db2.gz	UMFFPFXLHYEHAM-GJZGRUSLSA-N	1	1	369.465	2.461	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1	ZINC000048046403	540341607	/nfs/dbraw/zinc/34/16/07/540341607.db2.gz	GKAGAMBLMYPUCM-UZLBHIALSA-N	1	1	362.518	2.011	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)c3sccc3C#N)cc2)CC1	ZINC000052147960	540455398	/nfs/dbraw/zinc/45/53/98/540455398.db2.gz	HHPJSYFVGQIUDM-UHFFFAOYSA-N	1	1	354.479	2.297	20	30		FEEDMO
COc1ccc(N2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1	ZINC000052465842	540467430	/nfs/dbraw/zinc/46/74/30/540467430.db2.gz	FCHVABJHIIZILF-FQEVSTJZSA-N	1	1	358.486	2.262	20	30		FEEDMO
COc1ccc(N2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1	ZINC000052465842	540467433	/nfs/dbraw/zinc/46/74/33/540467433.db2.gz	FCHVABJHIIZILF-FQEVSTJZSA-N	1	1	358.486	2.262	20	30		FEEDMO
COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)c1	ZINC000053098892	540511356	/nfs/dbraw/zinc/51/13/56/540511356.db2.gz	OBKAYRDJIRKLDN-GOSISDBHSA-N	1	1	370.453	2.497	20	30		FEEDMO
COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)c1	ZINC000053098892	540511360	/nfs/dbraw/zinc/51/13/60/540511360.db2.gz	OBKAYRDJIRKLDN-GOSISDBHSA-N	1	1	370.453	2.497	20	30		FEEDMO
CC(C)(C)CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000053179219	540515518	/nfs/dbraw/zinc/51/55/18/540515518.db2.gz	XHIXYSYQHKSTPJ-UHFFFAOYSA-N	1	1	370.497	2.145	20	30		FEEDMO
CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1	ZINC000053403219	540532021	/nfs/dbraw/zinc/53/20/21/540532021.db2.gz	LKJZTZQOSHSQIQ-PKOBYXMFSA-N	1	1	368.433	2.460	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCC(C(=O)OCC)CC1)Cc1ccc(OC)cc1	ZINC000054272029	540579592	/nfs/dbraw/zinc/57/95/92/540579592.db2.gz	FGRYRFQQTKIZNO-UHFFFAOYSA-N	1	1	374.481	2.485	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCC(C(=O)OCC)CC1)Cc1ccc(OC)cc1	ZINC000054272029	540579593	/nfs/dbraw/zinc/57/95/93/540579593.db2.gz	FGRYRFQQTKIZNO-UHFFFAOYSA-N	1	1	374.481	2.485	20	30		FEEDMO
C[C@H]1CCCN(C(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000055172349	540632792	/nfs/dbraw/zinc/63/27/92/540632792.db2.gz	XNQFCRSRWBDRKH-SFHVURJKSA-N	1	1	354.498	2.324	20	30		FEEDMO
C[C@H]1CCCN(C(=O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000055172349	540632798	/nfs/dbraw/zinc/63/27/98/540632798.db2.gz	XNQFCRSRWBDRKH-SFHVURJKSA-N	1	1	354.498	2.324	20	30		FEEDMO
C[C@H]1CCCN(C(=O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000055172349	540632801	/nfs/dbraw/zinc/63/28/01/540632801.db2.gz	XNQFCRSRWBDRKH-SFHVURJKSA-N	1	1	354.498	2.324	20	30		FEEDMO
N#Cc1ccc(OCC(=O)N2CC[NH+](CCc3cccs3)CC2)cc1	ZINC000055642774	540667077	/nfs/dbraw/zinc/66/70/77/540667077.db2.gz	SJGZLEJLBZNKRB-UHFFFAOYSA-N	1	1	355.463	2.385	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)NC3CC3)CC2)cc1Cl	ZINC000055915274	540687388	/nfs/dbraw/zinc/68/73/88/540687388.db2.gz	XWQHAJIALWEYQS-UHFFFAOYSA-N	1	1	360.845	2.141	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000057677615	540807745	/nfs/dbraw/zinc/80/77/45/540807745.db2.gz	DCHSJRJEJMOOMZ-LZWOXQAQSA-N	1	1	356.470	2.288	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1	ZINC000058578118	540850154	/nfs/dbraw/zinc/85/01/54/540850154.db2.gz	OQOBWOHHBWHOPK-INIZCTEOSA-N	1	1	371.403	2.062	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C(=O)Nc1cccc(OCC#N)c1)C1CCCCC1	ZINC000062128027	541145241	/nfs/dbraw/zinc/14/52/41/541145241.db2.gz	FZBYYRYGYWDWPP-UHFFFAOYSA-N	1	1	372.469	2.298	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(c2nccs2)CC1	ZINC000066349795	541306616	/nfs/dbraw/zinc/30/66/16/541306616.db2.gz	OLWALIGSCOTCEL-QGZVFWFLSA-N	1	1	359.495	2.434	20	30		FEEDMO
N#CCCC[NH+]1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1	ZINC000067127502	541421255	/nfs/dbraw/zinc/42/12/55/541421255.db2.gz	CVDRHSCSYFSLHH-UHFFFAOYSA-N	1	1	371.510	2.285	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1	ZINC000069121461	541659847	/nfs/dbraw/zinc/65/98/47/541659847.db2.gz	RXEFTEBHYCHBDP-QGZVFWFLSA-N	1	1	366.421	2.352	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+](CCO)C2CC2)c1C#N	ZINC000072514997	541824839	/nfs/dbraw/zinc/82/48/39/541824839.db2.gz	FDVCIDJCSYAZIM-UHFFFAOYSA-N	1	1	352.438	2.361	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](CCO)C2CC2)c1C#N	ZINC000072514997	541824843	/nfs/dbraw/zinc/82/48/43/541824843.db2.gz	FDVCIDJCSYAZIM-UHFFFAOYSA-N	1	1	352.438	2.361	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)CN1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000072553954	541831203	/nfs/dbraw/zinc/83/12/03/541831203.db2.gz	JXCOJODSKJSBLQ-MRXNPFEDSA-N	1	1	374.510	2.037	20	30		FEEDMO
CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000072976155	541901811	/nfs/dbraw/zinc/90/18/11/541901811.db2.gz	OEWFVPHUSYJEPE-MRXNPFEDSA-N	1	1	367.453	2.431	20	30		FEEDMO
CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000072976155	541901815	/nfs/dbraw/zinc/90/18/15/541901815.db2.gz	OEWFVPHUSYJEPE-MRXNPFEDSA-N	1	1	367.453	2.431	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(=O)(=O)CC)ccc2F)CC1	ZINC000073437033	541954006	/nfs/dbraw/zinc/95/40/06/541954006.db2.gz	CFNDMXIGHMPCJK-UHFFFAOYSA-N	1	1	368.474	2.390	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)CC1	ZINC000073615680	541974272	/nfs/dbraw/zinc/97/42/72/541974272.db2.gz	TVLGFPFQIOMHEV-OAHLLOKOSA-N	1	1	357.454	2.180	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)CC1	ZINC000073615680	541974276	/nfs/dbraw/zinc/97/42/76/541974276.db2.gz	TVLGFPFQIOMHEV-OAHLLOKOSA-N	1	1	357.454	2.180	20	30		FEEDMO
N#Cc1ccc(OCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc1	ZINC000074029367	542027792	/nfs/dbraw/zinc/02/77/92/542027792.db2.gz	YCVDYSCPUWXCBA-IBGZPJMESA-N	1	1	350.422	2.113	20	30		FEEDMO
N#Cc1ccc(OCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc1	ZINC000074029367	542027797	/nfs/dbraw/zinc/02/77/97/542027797.db2.gz	YCVDYSCPUWXCBA-IBGZPJMESA-N	1	1	350.422	2.113	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)ccc1OCC#N	ZINC000073991701	542023033	/nfs/dbraw/zinc/02/30/33/542023033.db2.gz	MKBXARIDHXHDQI-ACISRZNPSA-N	1	1	355.438	2.306	20	30		FEEDMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)c2cccc(C#N)c2)c1	ZINC000075579313	542189955	/nfs/dbraw/zinc/18/99/55/542189955.db2.gz	HKYZOFJHFFEDCB-UHFFFAOYSA-N	1	1	367.449	2.445	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC)C2)c1	ZINC000076673603	542311517	/nfs/dbraw/zinc/31/15/17/542311517.db2.gz	VYXWTVUSBJNVQT-MRXNPFEDSA-N	1	1	359.470	2.380	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(COc3ccccc3C#N)o2)CC1	ZINC000077040252	542343949	/nfs/dbraw/zinc/34/39/49/542343949.db2.gz	PHPDOJHBNNFSEI-UHFFFAOYSA-N	1	1	364.405	2.448	20	30		FEEDMO
Cc1nc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N	ZINC000078152735	542445387	/nfs/dbraw/zinc/44/53/87/542445387.db2.gz	GPISATJFJFLJOM-JXFKEZNVSA-N	1	1	364.449	2.281	20	30		FEEDMO
Cc1nc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N	ZINC000078152735	542445393	/nfs/dbraw/zinc/44/53/93/542445393.db2.gz	GPISATJFJFLJOM-JXFKEZNVSA-N	1	1	364.449	2.281	20	30		FEEDMO
C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@@H]1COc2ccccc2O1	ZINC000078778075	542480568	/nfs/dbraw/zinc/48/05/68/542480568.db2.gz	POHAJRWLJOHJDR-PKOBYXMFSA-N	1	1	368.433	2.264	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(F)cc1	ZINC000079281133	542510210	/nfs/dbraw/zinc/51/02/10/542510210.db2.gz	WUBSGBDJGQPWGM-SFHVURJKSA-N	1	1	361.442	2.420	20	30		FEEDMO
C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CCO[C@@H](C)C#N	ZINC000801946950	674156416	/nfs/dbraw/zinc/15/64/16/674156416.db2.gz	QTECGYNMMVRKIY-LSDHHAIUSA-N	1	1	351.472	2.148	20	30		FEEDMO
C[NH+]1CCN(C[C@@H]2CCCN(C(=O)c3cccc(SCC#N)c3)C2)CC1	ZINC000079541263	542525381	/nfs/dbraw/zinc/52/53/81/542525381.db2.gz	YSKJVKURJVNFNH-KRWDZBQOSA-N	1	1	372.538	2.402	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)c(F)c1	ZINC000080621878	542597726	/nfs/dbraw/zinc/59/77/26/542597726.db2.gz	UKCXJGMYWXOETL-DLBZAZTESA-N	1	1	356.445	2.220	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1	ZINC000081171718	542637175	/nfs/dbraw/zinc/63/71/75/542637175.db2.gz	PYLLWJHPMPBFQR-SJORKVTESA-N	1	1	357.454	2.275	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1	ZINC000081625970	542668964	/nfs/dbraw/zinc/66/89/64/542668964.db2.gz	VFUIGRTYCIVRGV-VQTJNVASSA-N	1	1	372.488	2.482	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000081625970	542668968	/nfs/dbraw/zinc/66/89/68/542668968.db2.gz	VFUIGRTYCIVRGV-VQTJNVASSA-N	1	1	372.488	2.482	20	30		FEEDMO
COc1cc(OC)cc([C@@H]2CC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)c1	ZINC000083403201	542696617	/nfs/dbraw/zinc/69/66/17/542696617.db2.gz	NDAJJDBKOMUFQN-MRXNPFEDSA-N	1	1	370.453	2.149	20	30		FEEDMO
COc1cc(OC)cc([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)c1	ZINC000083403201	542696618	/nfs/dbraw/zinc/69/66/18/542696618.db2.gz	NDAJJDBKOMUFQN-MRXNPFEDSA-N	1	1	370.453	2.149	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000087504351	542747686	/nfs/dbraw/zinc/74/76/86/542747686.db2.gz	PZFDSWFJBBIMPU-WBVHZDCISA-N	1	1	362.470	2.376	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000087504351	542747690	/nfs/dbraw/zinc/74/76/90/542747690.db2.gz	PZFDSWFJBBIMPU-WBVHZDCISA-N	1	1	362.470	2.376	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)O)C1	ZINC000089931536	542775476	/nfs/dbraw/zinc/77/54/76/542775476.db2.gz	NMPODYQEPUJJPK-BBWFWOEESA-N	1	1	359.470	2.423	20	30		FEEDMO
C=CCc1ccc(OCC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c(OC)c1	ZINC000090458503	542784941	/nfs/dbraw/zinc/78/49/41/542784941.db2.gz	PMSAVFNPBNGRKX-QZTJIDSGSA-N	1	1	374.481	2.172	20	30		FEEDMO
C=CCc1ccc(OCC(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c(OC)c1	ZINC000090458503	542784945	/nfs/dbraw/zinc/78/49/45/542784945.db2.gz	PMSAVFNPBNGRKX-QZTJIDSGSA-N	1	1	374.481	2.172	20	30		FEEDMO
COc1ccc([C@H](C)[N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1	ZINC000091515363	542811800	/nfs/dbraw/zinc/81/18/00/542811800.db2.gz	YAMZDMFNPBOUGR-FXAWDEMLSA-N	1	1	372.513	2.380	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1	ZINC000092239761	542851394	/nfs/dbraw/zinc/85/13/94/542851394.db2.gz	QSWRJXSXWFGFTH-WWDZGPRUSA-N	1	1	371.485	2.284	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000092799792	542888068	/nfs/dbraw/zinc/88/80/68/542888068.db2.gz	VBZPRHBKFDKCKB-CVEARBPZSA-N	1	1	364.490	2.222	20	30		FEEDMO
CN(CCC#N)C(=O)CC[NH+]1CCN(c2ccc(F)cc2Cl)CC1	ZINC000092807701	542888181	/nfs/dbraw/zinc/88/81/81/542888181.db2.gz	SEHCIYGXUDYXAX-UHFFFAOYSA-N	1	1	352.841	2.363	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1	ZINC000101607847	543036921	/nfs/dbraw/zinc/03/69/21/543036921.db2.gz	DJSVPPGDOYXLBI-INIZCTEOSA-N	1	1	373.476	2.261	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)c(C#N)c2)C1	ZINC000103156836	543095771	/nfs/dbraw/zinc/09/57/71/543095771.db2.gz	VCNWYQQPBYRCEA-CYBMUJFWSA-N	1	1	353.463	2.486	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1	ZINC000103466755	543108708	/nfs/dbraw/zinc/10/87/08/543108708.db2.gz	GGKXIGJXVBWTST-MRXNPFEDSA-N	1	1	364.453	2.304	20	30		FEEDMO
COc1ccccc1[C@@H](CNS(=O)(=O)CCCC#N)[NH+]1CCCC1	ZINC000104107372	543123725	/nfs/dbraw/zinc/12/37/25/543123725.db2.gz	UONAOPZZJNGIEV-MRXNPFEDSA-N	1	1	351.472	2.055	20	30		FEEDMO
COc1cc[nH+]c(N2CCN([C@@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1	ZINC000104719605	543139195	/nfs/dbraw/zinc/13/91/95/543139195.db2.gz	MEKLPIUTDWKTDK-HNNXBMFYSA-N	1	1	365.437	2.111	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1)C1CC1	ZINC000108387749	543288467	/nfs/dbraw/zinc/28/84/67/543288467.db2.gz	ZRXNALBULRAQDP-VQTJNVASSA-N	1	1	359.445	2.380	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1	ZINC000108388788	543288521	/nfs/dbraw/zinc/28/85/21/543288521.db2.gz	GESMDTYSWGNMHS-FQEVSTJZSA-N	1	1	372.444	2.227	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1	ZINC000108587245	543296066	/nfs/dbraw/zinc/29/60/66/543296066.db2.gz	IHLOBCRDSNRAOS-KRWDZBQOSA-N	1	1	356.470	2.453	20	30		FEEDMO
CC(C)[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(C#N)cc1	ZINC000109405472	543323948	/nfs/dbraw/zinc/32/39/48/543323948.db2.gz	BOYNRAWLCFDYAE-UHFFFAOYSA-N	1	1	373.478	2.495	20	30		FEEDMO
CCC(CC)C[N@@H+](CC)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000114725663	543532592	/nfs/dbraw/zinc/53/25/92/543532592.db2.gz	KHAJOZRAFMCCJL-UHFFFAOYSA-N	1	1	361.490	2.261	20	30		FEEDMO
COc1ccc([C@H]2[C@@H](CNS(=O)(=O)CCCC#N)CCC[N@H+]2C)cc1	ZINC000115587871	543576383	/nfs/dbraw/zinc/57/63/83/543576383.db2.gz	GBUUUQUHTLICRB-AEFFLSMTSA-N	1	1	365.499	2.301	20	30		FEEDMO
N#Cc1ccc([C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C(N)=O)cc1	ZINC000115597586	543577483	/nfs/dbraw/zinc/57/74/83/543577483.db2.gz	ZJCBPPUVIKOVNI-HXUWFJFHSA-N	1	1	366.440	2.478	20	30		FEEDMO
N#Cc1ccc([C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C(N)=O)cc1	ZINC000115597585	543577716	/nfs/dbraw/zinc/57/77/16/543577716.db2.gz	ZJCBPPUVIKOVNI-FQEVSTJZSA-N	1	1	366.440	2.478	20	30		FEEDMO
C=CCC[C@H](O)C[N@@H+](CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1	ZINC000121043695	543688618	/nfs/dbraw/zinc/68/86/18/543688618.db2.gz	XAZHPLPGSSDXFQ-ZDUSSCGKSA-N	1	1	361.442	2.089	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+](CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1	ZINC000121043695	543688622	/nfs/dbraw/zinc/68/86/22/543688622.db2.gz	XAZHPLPGSSDXFQ-ZDUSSCGKSA-N	1	1	361.442	2.089	20	30		FEEDMO
C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000119298727	543665795	/nfs/dbraw/zinc/66/57/95/543665795.db2.gz	KTRXHHYOBXTAGY-HOCLYGCPSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](Cn2ccnn2)C1	ZINC000119881159	543673096	/nfs/dbraw/zinc/67/30/96/543673096.db2.gz	GCXQEECJPWTLAR-MSOLQXFVSA-N	1	1	366.469	2.325	20	30		FEEDMO
N#CCN1CCC(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1	ZINC000122883862	543729920	/nfs/dbraw/zinc/72/99/20/543729920.db2.gz	RVJQWXLDSSUFMU-HXUWFJFHSA-N	1	1	354.498	2.393	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000121971369	543702159	/nfs/dbraw/zinc/70/21/59/543702159.db2.gz	VRKRVDWZZOHGTM-YJBOKZPZSA-N	1	1	368.481	2.369	20	30		FEEDMO
C[C@H]1C[C@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[N@H+]1C	ZINC000123662827	543775695	/nfs/dbraw/zinc/77/56/95/543775695.db2.gz	MEKLWTSBHJVAAS-MAUKXSAKSA-N	1	1	366.469	2.097	20	30		FEEDMO
CCCC[NH+]1CCC(NS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000124586118	543831218	/nfs/dbraw/zinc/83/12/18/543831218.db2.gz	NTOMBEPJINTOKQ-UHFFFAOYSA-N	1	1	357.426	2.379	20	30		FEEDMO
O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000126552320	543942985	/nfs/dbraw/zinc/94/29/85/543942985.db2.gz	NDUINDVUACONTL-AEFFLSMTSA-N	1	1	352.434	2.242	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)CC[C@@H]21	ZINC000126881597	543961704	/nfs/dbraw/zinc/96/17/04/543961704.db2.gz	UFUMQZOVZUFPNR-WFASDCNBSA-N	1	1	353.875	2.316	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000128268366	544042648	/nfs/dbraw/zinc/04/26/48/544042648.db2.gz	WCBWBFNJKMDOKI-INIZCTEOSA-N	1	1	360.454	2.054	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1	ZINC000134791829	544321511	/nfs/dbraw/zinc/32/15/11/544321511.db2.gz	QEPMONXCCHGHOW-RTBURBONSA-N	1	1	372.444	2.370	20	30		FEEDMO
CCOc1ccnc(N2CCC[N@@H+](CCOc3ccccc3C#N)CC2)n1	ZINC000135768699	544360620	/nfs/dbraw/zinc/36/06/20/544360620.db2.gz	XBLWTSMNHLAXJX-UHFFFAOYSA-N	1	1	367.453	2.338	20	30		FEEDMO
C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153265455	544754068	/nfs/dbraw/zinc/75/40/68/544754068.db2.gz	UZFYDKVZTBWIGI-AWEZNQCLSA-N	1	1	358.490	2.123	20	30		FEEDMO
CCOC(=O)C1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCC1	ZINC000153295945	544756774	/nfs/dbraw/zinc/75/67/74/544756774.db2.gz	JUSKZGUGJVXMLW-UHFFFAOYSA-N	1	1	369.465	2.326	20	30		FEEDMO
CCOC(=O)C1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCC1	ZINC000153295945	544756778	/nfs/dbraw/zinc/75/67/78/544756778.db2.gz	JUSKZGUGJVXMLW-UHFFFAOYSA-N	1	1	369.465	2.326	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1cccc(C#N)c1	ZINC000153176268	544742390	/nfs/dbraw/zinc/74/23/90/544742390.db2.gz	CZGFQAHPRNWXCP-BEFAXECRSA-N	1	1	362.433	2.133	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](c1ccccc1)[NH+](C)C	ZINC000185388354	327914062	/nfs/dbraw/zinc/91/40/62/327914062.db2.gz	VRKUBDFXAXWHMC-MRXNPFEDSA-N	1	1	359.451	2.148	20	30		FEEDMO
C[NH+]1CCN([C@@H]2CCCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1	ZINC000187495606	328029877	/nfs/dbraw/zinc/02/98/77/328029877.db2.gz	FUKYZWNXWOHCTP-HXUWFJFHSA-N	1	1	366.509	2.218	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000188672778	328103329	/nfs/dbraw/zinc/10/33/29/328103329.db2.gz	VGJKSBVIZSMIOZ-QFBILLFUSA-N	1	1	373.497	2.265	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)o1	ZINC000189107722	328129176	/nfs/dbraw/zinc/12/91/76/328129176.db2.gz	SDNCPOCDUIGPDV-AWEZNQCLSA-N	1	1	359.474	2.062	20	30		FEEDMO
C[C@H](O)C[NH+]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1	ZINC000189714181	328163629	/nfs/dbraw/zinc/16/36/29/328163629.db2.gz	IJDRETCJLKBJMW-INIZCTEOSA-N	1	1	365.433	2.489	20	30		FEEDMO
N#Cc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)cc1[O-]	ZINC000189895666	328174632	/nfs/dbraw/zinc/17/46/32/328174632.db2.gz	MZMNPZIEGXFUAL-UHFFFAOYSA-N	1	1	351.406	2.026	20	30		FEEDMO
N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c1	ZINC000191795283	328282229	/nfs/dbraw/zinc/28/22/29/328282229.db2.gz	ARIKDEUFYWBTGX-OAHLLOKOSA-N	1	1	350.260	2.227	20	30		FEEDMO
N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c1	ZINC000191795283	328282230	/nfs/dbraw/zinc/28/22/30/328282230.db2.gz	ARIKDEUFYWBTGX-OAHLLOKOSA-N	1	1	350.260	2.227	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccco1	ZINC000192499042	328322189	/nfs/dbraw/zinc/32/21/89/328322189.db2.gz	QUSHUIYEDAGUFE-CQSZACIVSA-N	1	1	371.441	2.065	20	30		FEEDMO
CC[N@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000193757502	328393486	/nfs/dbraw/zinc/39/34/86/328393486.db2.gz	ZRRUPHIVPUZVIX-SJORKVTESA-N	1	1	370.497	2.458	20	30		FEEDMO
CC[N@@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000193757502	328393487	/nfs/dbraw/zinc/39/34/87/328393487.db2.gz	ZRRUPHIVPUZVIX-SJORKVTESA-N	1	1	370.497	2.458	20	30		FEEDMO
C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C#N)cc1	ZINC000007493793	324356875	/nfs/dbraw/zinc/35/68/75/324356875.db2.gz	FBHODGKNHMJFCV-UHFFFAOYSA-N	1	1	364.449	2.465	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(C#N)cc1	ZINC000007493793	324356879	/nfs/dbraw/zinc/35/68/79/324356879.db2.gz	FBHODGKNHMJFCV-UHFFFAOYSA-N	1	1	364.449	2.465	20	30		FEEDMO
C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)C1	ZINC000081343162	325171186	/nfs/dbraw/zinc/17/11/86/325171186.db2.gz	UJKAQUYFUFFXPQ-LJQANCHMSA-N	1	1	351.406	2.406	20	30		FEEDMO
C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)C1	ZINC000081343162	325171189	/nfs/dbraw/zinc/17/11/89/325171189.db2.gz	UJKAQUYFUFFXPQ-LJQANCHMSA-N	1	1	351.406	2.406	20	30		FEEDMO
CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000085583376	325256053	/nfs/dbraw/zinc/25/60/53/325256053.db2.gz	INCAOCAUPDVUKR-CYBMUJFWSA-N	1	1	368.384	2.080	20	30		FEEDMO
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[NH+]2CCCC2)o1	ZINC000102101532	325487507	/nfs/dbraw/zinc/48/75/07/325487507.db2.gz	XMJBIRNKSAVXIE-QGZVFWFLSA-N	1	1	366.421	2.352	20	30		FEEDMO
Cc1cc(NC(=O)CN2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)no1	ZINC000118391860	326089777	/nfs/dbraw/zinc/08/97/77/326089777.db2.gz	CTYABJPGHNDNHX-HNNXBMFYSA-N	1	1	353.426	2.172	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C#N	ZINC000120713000	326281170	/nfs/dbraw/zinc/28/11/70/326281170.db2.gz	PCPNCMPOSHLQDH-WMLDXEAASA-N	1	1	372.469	2.225	20	30		FEEDMO
Cc1nc(N2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)sc1C	ZINC000128820459	326530312	/nfs/dbraw/zinc/53/03/12/326530312.db2.gz	NNZBAOCPSZBARB-QGZVFWFLSA-N	1	1	372.494	2.194	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000163630935	327055506	/nfs/dbraw/zinc/05/55/06/327055506.db2.gz	BDIVWAKNERKDOK-UHFFFAOYSA-N	1	1	350.419	2.102	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000172673391	327214223	/nfs/dbraw/zinc/21/42/23/327214223.db2.gz	WTBWACBHCPNUPN-UHFFFAOYSA-N	1	1	370.478	2.205	20	30		FEEDMO
CN1CC[NH+]([C@H]2CCCCN(C(=O)CSc3ccc(C#N)cc3)C2)CC1	ZINC000173275634	327245946	/nfs/dbraw/zinc/24/59/46/327245946.db2.gz	SIXWRLHCYKSECY-SFHVURJKSA-N	1	1	372.538	2.279	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)CCO1	ZINC000173559190	327266624	/nfs/dbraw/zinc/26/66/24/327266624.db2.gz	DTIQFDGZVHFRNZ-OAHLLOKOSA-N	1	1	367.453	2.293	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3ccc(C#N)cc3)c2)CC1	ZINC000173834078	327287657	/nfs/dbraw/zinc/28/76/57/327287657.db2.gz	YJXHSIANULXYFU-UHFFFAOYSA-N	1	1	362.433	2.127	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3CN3CCOCC3)o2)cc1	ZINC000174173732	327310533	/nfs/dbraw/zinc/31/05/33/327310533.db2.gz	SUBKOWAJTVHLJX-GOSISDBHSA-N	1	1	367.453	2.295	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3CN3CCOCC3)o2)cc1	ZINC000174173732	327310535	/nfs/dbraw/zinc/31/05/35/327310535.db2.gz	SUBKOWAJTVHLJX-GOSISDBHSA-N	1	1	367.453	2.295	20	30		FEEDMO
C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2cc(C#N)cn2C)C[C@H](C)O1	ZINC000176738630	327472817	/nfs/dbraw/zinc/47/28/17/327472817.db2.gz	NZAZYULNCARCJW-HOTGVXAUSA-N	1	1	366.465	2.436	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c(C(F)(F)F)c1	ZINC000266170511	329196932	/nfs/dbraw/zinc/19/69/32/329196932.db2.gz	JDNBPNDCZSNNOO-CYBMUJFWSA-N	1	1	371.384	2.212	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000266871569	329267912	/nfs/dbraw/zinc/26/79/12/329267912.db2.gz	QEVRFDCZJIIVNJ-DLBZAZTESA-N	1	1	363.483	2.174	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000267551948	329337705	/nfs/dbraw/zinc/33/77/05/329337705.db2.gz	DFZSNYQDYHPGMN-BBWFWOEESA-N	1	1	359.470	2.331	20	30		FEEDMO
COC(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1	ZINC000272206093	329759724	/nfs/dbraw/zinc/75/97/24/329759724.db2.gz	NIZIOIKDYTWGAU-INIZCTEOSA-N	1	1	353.378	2.223	20	30		FEEDMO
CN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000275626810	330072119	/nfs/dbraw/zinc/07/21/19/330072119.db2.gz	IUJJQFFWAYSKCN-IBGZPJMESA-N	1	1	362.433	2.230	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC2)o1	ZINC000276470122	330155486	/nfs/dbraw/zinc/15/54/86/330155486.db2.gz	QFAJOBCYHKUTQY-FUHWJXTLSA-N	1	1	371.485	2.014	20	30		FEEDMO
Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)cn1	ZINC000371454562	330243568	/nfs/dbraw/zinc/24/35/68/330243568.db2.gz	ADTRTRTXAIYSOX-OALUTQOASA-N	1	1	367.453	2.208	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCCN(C(=O)c2ccco2)CC1	ZINC000359933743	534817795	/nfs/dbraw/zinc/81/77/95/534817795.db2.gz	GLHIWKFCYYDIEQ-UHFFFAOYSA-N	1	1	366.421	2.328	20	30		FEEDMO
Cc1ccccc1NC(=O)CC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000155720374	545561461	/nfs/dbraw/zinc/56/14/61/545561461.db2.gz	XXLURXKRZBXURJ-INIZCTEOSA-N	1	1	364.453	2.196	20	30		FEEDMO
Cc1ccccc1NC(=O)CC[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000155720374	545561465	/nfs/dbraw/zinc/56/14/65/545561465.db2.gz	XXLURXKRZBXURJ-INIZCTEOSA-N	1	1	364.453	2.196	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000155963784	545587153	/nfs/dbraw/zinc/58/71/53/545587153.db2.gz	SPXXHJBGWAVCTL-QFBILLFUSA-N	1	1	366.465	2.281	20	30		FEEDMO
CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1	ZINC000156062627	545596192	/nfs/dbraw/zinc/59/61/92/545596192.db2.gz	YYPOWQPUHVSELS-SFHVURJKSA-N	1	1	355.463	2.349	20	30		FEEDMO
CC(C)C(=O)NCC[N@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000157641246	545764407	/nfs/dbraw/zinc/76/44/07/545764407.db2.gz	YJBNVVXJMKXLRV-KOHRHEQBSA-N	1	1	350.507	2.010	20	30		FEEDMO
CC(C)C(=O)NCC[N@@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000157641246	545764412	/nfs/dbraw/zinc/76/44/12/545764412.db2.gz	YJBNVVXJMKXLRV-KOHRHEQBSA-N	1	1	350.507	2.010	20	30		FEEDMO
C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(C#N)cc1F	ZINC000477918851	561156473	/nfs/dbraw/zinc/15/64/73/561156473.db2.gz	PZNIQMYLSGATHY-CYBMUJFWSA-N	1	1	362.426	2.314	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000159092455	545921053	/nfs/dbraw/zinc/92/10/53/545921053.db2.gz	QPFFGSWIFPUUMJ-HNNXBMFYSA-N	1	1	357.454	2.028	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCN1C(=O)c2ccccc2C1=O	ZINC000159092455	545921055	/nfs/dbraw/zinc/92/10/55/545921055.db2.gz	QPFFGSWIFPUUMJ-HNNXBMFYSA-N	1	1	357.454	2.028	20	30		FEEDMO
C#CCOCCC(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000160709083	546064734	/nfs/dbraw/zinc/06/47/34/546064734.db2.gz	PQUBACNIPIPFNO-GOSISDBHSA-N	1	1	352.438	2.309	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1	ZINC000171054985	546189081	/nfs/dbraw/zinc/18/90/81/546189081.db2.gz	OOGVBPVWFXAVBU-CQSZACIVSA-N	1	1	362.861	2.018	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1	ZINC000171054985	546189083	/nfs/dbraw/zinc/18/90/83/546189083.db2.gz	OOGVBPVWFXAVBU-CQSZACIVSA-N	1	1	362.861	2.018	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)NCCCCC#N)CC1	ZINC000171739835	546223726	/nfs/dbraw/zinc/22/37/26/546223726.db2.gz	OWXYGEFDKJHGNE-UHFFFAOYSA-N	1	1	357.502	2.317	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCC[C@H](OCCO)C1)c1cccc(Cl)c1	ZINC000172100205	546237304	/nfs/dbraw/zinc/23/73/04/546237304.db2.gz	ZMWDZPDEWQRPEL-KRWDZBQOSA-N	1	1	365.861	2.060	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCC[C@H](OCCO)C1)c1cccc(Cl)c1	ZINC000172100205	546237306	/nfs/dbraw/zinc/23/73/06/546237306.db2.gz	ZMWDZPDEWQRPEL-KRWDZBQOSA-N	1	1	365.861	2.060	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000172347159	546248459	/nfs/dbraw/zinc/24/84/59/546248459.db2.gz	WEFUKBGNGFTHIL-UHFFFAOYSA-N	1	1	358.486	2.192	20	30		FEEDMO
C=CCc1cc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc(OC)c1OC	ZINC000174200509	546293604	/nfs/dbraw/zinc/29/36/04/546293604.db2.gz	LBKAAIGTSURJRX-INIZCTEOSA-N	1	1	374.481	2.227	20	30		FEEDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12	ZINC000174846148	546304558	/nfs/dbraw/zinc/30/45/58/546304558.db2.gz	AZAOVRUKTYFYGU-LSDHHAIUSA-N	1	1	352.438	2.323	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000175771297	546347189	/nfs/dbraw/zinc/34/71/89/546347189.db2.gz	GNNYFXPFFBTMGK-UHFFFAOYSA-N	1	1	361.465	2.261	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)[N@@H+](C)Cc1ccccc1	ZINC000175982064	546384550	/nfs/dbraw/zinc/38/45/50/546384550.db2.gz	LWNXTQRGRJWWSN-AWEZNQCLSA-N	1	1	368.412	2.273	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000176212708	546420241	/nfs/dbraw/zinc/42/02/41/546420241.db2.gz	DKNITRKTOXRDRM-UHFFFAOYSA-N	1	1	370.375	2.364	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)C3(C#N)CCOCC3)CC2)C[C@H](C)O1	ZINC000178240021	546762782	/nfs/dbraw/zinc/76/27/82/546762782.db2.gz	MXIFZDRNKCAOBH-CALCHBBNSA-N	1	1	363.502	2.045	20	30		FEEDMO
COC(=O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000179130793	546903428	/nfs/dbraw/zinc/90/34/28/546903428.db2.gz	XWNGFERODXMJQK-LBPRGKRZSA-N	1	1	361.467	2.465	20	30		FEEDMO
C=CCCS(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000179898207	547025815	/nfs/dbraw/zinc/02/58/15/547025815.db2.gz	LKKZLROZKQNVKZ-MSOLQXFVSA-N	1	1	350.484	2.469	20	30		FEEDMO
C=CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000179898207	547025818	/nfs/dbraw/zinc/02/58/18/547025818.db2.gz	LKKZLROZKQNVKZ-MSOLQXFVSA-N	1	1	350.484	2.469	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000180679355	547156275	/nfs/dbraw/zinc/15/62/75/547156275.db2.gz	XKVOXPUVBXMRHO-HZPDHXFCSA-N	1	1	359.470	2.269	20	30		FEEDMO
N#CCCN(C(=O)C[NH+]1CCC(O[C@H]2CCOC2)CC1)c1ccccc1	ZINC000483057879	561266177	/nfs/dbraw/zinc/26/61/77/561266177.db2.gz	YIXRICTWTMSDPO-IBGZPJMESA-N	1	1	357.454	2.203	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1	ZINC000483148905	561268960	/nfs/dbraw/zinc/26/89/60/561268960.db2.gz	DOWQYINOUBPPMT-SFHLNBCPSA-N	1	1	361.482	2.425	20	30		FEEDMO
C=C(C)C[N@H+](C)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000181255523	547281734	/nfs/dbraw/zinc/28/17/34/547281734.db2.gz	PYQPNGVNXPYDGA-UHFFFAOYSA-N	1	1	357.498	2.234	20	30		FEEDMO
CC[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000181347256	547297521	/nfs/dbraw/zinc/29/75/21/547297521.db2.gz	JMHSDEVEFBXXDT-RBUKOAKNSA-N	1	1	352.438	2.296	20	30		FEEDMO
CC[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000181347256	547297526	/nfs/dbraw/zinc/29/75/26/547297526.db2.gz	JMHSDEVEFBXXDT-RBUKOAKNSA-N	1	1	352.438	2.296	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000181744649	547373167	/nfs/dbraw/zinc/37/31/67/547373167.db2.gz	XUTSDXJYKHOJLS-XHSDSOJGSA-N	1	1	372.469	2.153	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000181911921	547402891	/nfs/dbraw/zinc/40/28/91/547402891.db2.gz	YWDFWCKYCYESII-JKSUJKDBSA-N	1	1	372.469	2.010	20	30		FEEDMO
CC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1c(C)noc1C	ZINC000182469324	547499368	/nfs/dbraw/zinc/49/93/68/547499368.db2.gz	REYNFCGDPGFLKJ-IAGOWNOFSA-N	1	1	361.490	2.025	20	30		FEEDMO
CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182594838	547518664	/nfs/dbraw/zinc/51/86/64/547518664.db2.gz	ZGUXOSHTVDZBDI-SJLPKXTDSA-N	1	1	355.438	2.329	20	30		FEEDMO
CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182594838	547518667	/nfs/dbraw/zinc/51/86/67/547518667.db2.gz	ZGUXOSHTVDZBDI-SJLPKXTDSA-N	1	1	355.438	2.329	20	30		FEEDMO
C[C@@H](C1CC1)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000182620580	547523403	/nfs/dbraw/zinc/52/34/03/547523403.db2.gz	DEEPZBNWZHCSCZ-KXBFYZLASA-N	1	1	358.461	2.265	20	30		FEEDMO
C[C@H]([NH2+][C@@H](C[S@](C)=O)c1ccccc1)C(=O)NC1(C#N)CCCCC1	ZINC000183075667	547596764	/nfs/dbraw/zinc/59/67/64/547596764.db2.gz	NUBBXOSLWRGDKV-RTNKVPBISA-N	1	1	361.511	2.427	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)[N@H+]1CCC[C@@H](C)C1	ZINC000184621560	547855489	/nfs/dbraw/zinc/85/54/89/547855489.db2.gz	LPXCNJZAQVVRME-CABCVRRESA-N	1	1	367.457	2.381	20	30		FEEDMO
COc1cccc(-c2noc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)n2)c1	ZINC000185126458	547936833	/nfs/dbraw/zinc/93/68/33/547936833.db2.gz	CIVJCTRWLNDKSL-CYBMUJFWSA-N	1	1	357.414	2.158	20	30		FEEDMO
C=CCOc1ccc(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1OC	ZINC000185308036	547967800	/nfs/dbraw/zinc/96/78/00/547967800.db2.gz	SYNXYJJHCOHBPY-INIZCTEOSA-N	1	1	361.486	2.016	20	30		FEEDMO
CC#CCCCC(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CC[NH+](C)CC1	ZINC000185388332	547978777	/nfs/dbraw/zinc/97/87/77/547978777.db2.gz	PMCKMGSEHSOAGJ-HXUWFJFHSA-N	1	1	367.493	2.302	20	30		FEEDMO
C=CCn1c2nnc(SC[C@@H]3CC[N@H+](C)C3)n2c2ccccc2c1=O	ZINC000187649571	548261655	/nfs/dbraw/zinc/26/16/55/548261655.db2.gz	IMNIJKXQVXYHLM-CYBMUJFWSA-N	1	1	355.467	2.274	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1	ZINC000188036303	548269891	/nfs/dbraw/zinc/26/98/91/548269891.db2.gz	VVQUMLJOFBKQOS-KRWDZBQOSA-N	1	1	358.486	2.094	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000188079883	548270755	/nfs/dbraw/zinc/27/07/55/548270755.db2.gz	GGLIZYQYOKMIIK-MRXNPFEDSA-N	1	1	357.454	2.416	20	30		FEEDMO
C=CC[N@@H+](CCOC)CC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000191103488	548340519	/nfs/dbraw/zinc/34/05/19/548340519.db2.gz	HBGWTBDEEPRXIN-UHFFFAOYSA-N	1	1	351.878	2.123	20	30		FEEDMO
C=CC[N@H+](CCOC)CC(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000191103488	548340521	/nfs/dbraw/zinc/34/05/21/548340521.db2.gz	HBGWTBDEEPRXIN-UHFFFAOYSA-N	1	1	351.878	2.123	20	30		FEEDMO
CO[C@@H](C)c1noc(CN2CCC[N@H+](CC#Cc3ccccc3)CC2)n1	ZINC000192060937	548357322	/nfs/dbraw/zinc/35/73/22/548357322.db2.gz	CLNBWVPPPQOIJT-KRWDZBQOSA-N	1	1	354.454	2.336	20	30		FEEDMO
CO[C@@H](C)c1noc(CN2CCC[N@@H+](CC#Cc3ccccc3)CC2)n1	ZINC000192060937	548357328	/nfs/dbraw/zinc/35/73/28/548357328.db2.gz	CLNBWVPPPQOIJT-KRWDZBQOSA-N	1	1	354.454	2.336	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000193748348	548395856	/nfs/dbraw/zinc/39/58/56/548395856.db2.gz	NEBADZFKOCVHBK-HNNXBMFYSA-N	1	1	356.470	2.274	20	30		FEEDMO
C=CCSCCNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000194553325	548497507	/nfs/dbraw/zinc/49/75/07/548497507.db2.gz	CQLUGIACEUJGNM-MRXNPFEDSA-N	1	1	362.499	2.177	20	30		FEEDMO
C=CCSCCNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000194553325	548497509	/nfs/dbraw/zinc/49/75/09/548497509.db2.gz	CQLUGIACEUJGNM-MRXNPFEDSA-N	1	1	362.499	2.177	20	30		FEEDMO
CN(C)c1ccnc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000195247303	548602634	/nfs/dbraw/zinc/60/26/34/548602634.db2.gz	IYJDUVGREKMWRS-UHFFFAOYSA-N	1	1	363.465	2.367	20	30		FEEDMO
CN(C)c1ccnc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000195247303	548602640	/nfs/dbraw/zinc/60/26/40/548602640.db2.gz	IYJDUVGREKMWRS-UHFFFAOYSA-N	1	1	363.465	2.367	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C	ZINC000195321273	548621797	/nfs/dbraw/zinc/62/17/97/548621797.db2.gz	SEVKPIFBTJLVCV-VNHYZAJKSA-N	1	1	362.474	2.136	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C	ZINC000195321273	548621799	/nfs/dbraw/zinc/62/17/99/548621799.db2.gz	SEVKPIFBTJLVCV-VNHYZAJKSA-N	1	1	362.474	2.136	20	30		FEEDMO
COCCO[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245521481	548938393	/nfs/dbraw/zinc/93/83/93/548938393.db2.gz	KQKMEHHDNRYZIH-OALUTQOASA-N	1	1	357.454	2.181	20	30		FEEDMO
COCCO[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245521481	548938398	/nfs/dbraw/zinc/93/83/98/548938398.db2.gz	KQKMEHHDNRYZIH-OALUTQOASA-N	1	1	357.454	2.181	20	30		FEEDMO
CNC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000246261331	549091283	/nfs/dbraw/zinc/09/12/83/549091283.db2.gz	UTRGTCWZWZNBHQ-IRXDYDNUSA-N	1	1	358.486	2.253	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@@H](O)COCc1ccccc1	ZINC000246313968	549103854	/nfs/dbraw/zinc/10/38/54/549103854.db2.gz	DPZJLVDHXIUYSF-OXJNMPFZSA-N	1	1	367.449	2.395	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)COCc1ccccc1	ZINC000246313968	549103858	/nfs/dbraw/zinc/10/38/58/549103858.db2.gz	DPZJLVDHXIUYSF-OXJNMPFZSA-N	1	1	367.449	2.395	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)Cc1ccccc1	ZINC000246461363	549139246	/nfs/dbraw/zinc/13/92/46/549139246.db2.gz	YWCNCHRCJAGMGU-NRFANRHFSA-N	1	1	362.477	2.355	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)Cc1ccccc1	ZINC000246461363	549139252	/nfs/dbraw/zinc/13/92/52/549139252.db2.gz	YWCNCHRCJAGMGU-NRFANRHFSA-N	1	1	362.477	2.355	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2OCC#N)[C@@H](C)C1	ZINC000246693159	549189634	/nfs/dbraw/zinc/18/96/34/549189634.db2.gz	DGLHHNRLCRVWEK-WMZOPIPTSA-N	1	1	359.470	2.456	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000248404667	549430201	/nfs/dbraw/zinc/43/02/01/549430201.db2.gz	AHYHYIMYJNKGMI-QWHCGFSZSA-N	1	1	357.380	2.299	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000248404667	549430203	/nfs/dbraw/zinc/43/02/03/549430203.db2.gz	AHYHYIMYJNKGMI-QWHCGFSZSA-N	1	1	357.380	2.299	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1F	ZINC000489551523	561414078	/nfs/dbraw/zinc/41/40/78/561414078.db2.gz	PFSUGEIELBFILF-HNNXBMFYSA-N	1	1	351.447	2.240	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C	ZINC000249077372	549547162	/nfs/dbraw/zinc/54/71/62/549547162.db2.gz	LYKJYJIEEFPLPK-QGTPRVQTSA-N	1	1	355.438	2.185	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C	ZINC000249077372	549547165	/nfs/dbraw/zinc/54/71/65/549547165.db2.gz	LYKJYJIEEFPLPK-QGTPRVQTSA-N	1	1	355.438	2.185	20	30		FEEDMO
CN(C(=O)c1ccnc(C#N)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000249106013	549553713	/nfs/dbraw/zinc/55/37/13/549553713.db2.gz	PHNZJKQEKNBZPK-VQTJNVASSA-N	1	1	369.513	2.362	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)[C@@H](C)C1	ZINC000249154251	549561508	/nfs/dbraw/zinc/56/15/08/549561508.db2.gz	HYXXLLXIRSJCMC-LRDDRELGSA-N	1	1	362.861	2.339	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489664454	561416506	/nfs/dbraw/zinc/41/65/06/561416506.db2.gz	GLRUFOLZAJKMBT-OAHLLOKOSA-N	1	1	353.463	2.486	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3C[C@@H]4OCCC[C@H]34)CC2)cc1	ZINC000251614091	549648366	/nfs/dbraw/zinc/64/83/66/549648366.db2.gz	GGZXPKIURPFRCO-AQNXPRMDSA-N	1	1	368.481	2.343	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)[C@H](C)c1ccc(C#N)cc1	ZINC000253356099	549683915	/nfs/dbraw/zinc/68/39/15/549683915.db2.gz	WLOSGZDXUOXYCA-BEFAXECRSA-N	1	1	356.470	2.068	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000265869190	550014873	/nfs/dbraw/zinc/01/48/73/550014873.db2.gz	VGLQKSBUSUZNFB-CVEARBPZSA-N	1	1	351.491	2.422	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000265869192	550015118	/nfs/dbraw/zinc/01/51/18/550015118.db2.gz	VGLQKSBUSUZNFB-HOTGVXAUSA-N	1	1	351.491	2.422	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)[N@H+]1CCC[C@@H](C)C1	ZINC000269108969	550156374	/nfs/dbraw/zinc/15/63/74/550156374.db2.gz	PWEIKSVJHHOPDE-OLZOCXBDSA-N	1	1	362.861	2.387	20	30		FEEDMO
COc1ccc([C@H](C#N)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)cc1	ZINC000492817530	561452981	/nfs/dbraw/zinc/45/29/81/561452981.db2.gz	KVHSRHYMFPQSKW-PMACEKPBSA-N	1	1	368.481	2.031	20	30		FEEDMO
N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)c1	ZINC000269664642	550215044	/nfs/dbraw/zinc/21/50/44/550215044.db2.gz	KMHISFLNPPNCGF-GOSISDBHSA-N	1	1	353.470	2.009	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21)C1CC1	ZINC000270439279	550272438	/nfs/dbraw/zinc/27/24/38/550272438.db2.gz	JKUXVLVKVWNSHT-OXJNMPFZSA-N	1	1	351.454	2.309	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1	ZINC000270680540	550296103	/nfs/dbraw/zinc/29/61/03/550296103.db2.gz	YOKPZEXSHNGCFB-UHFFFAOYSA-N	1	1	350.260	2.029	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCc1cnccn1	ZINC000271283512	550361218	/nfs/dbraw/zinc/36/12/18/550361218.db2.gz	AQVFVUWIWUVIMA-INIZCTEOSA-N	1	1	367.453	2.295	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCc1cnccn1	ZINC000271283512	550361220	/nfs/dbraw/zinc/36/12/20/550361220.db2.gz	AQVFVUWIWUVIMA-INIZCTEOSA-N	1	1	367.453	2.295	20	30		FEEDMO
C#CCCN1CC[NH+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1	ZINC000272004601	550415706	/nfs/dbraw/zinc/41/57/06/550415706.db2.gz	INOWDCXHOLROAN-QFBILLFUSA-N	1	1	350.890	2.419	20	30		FEEDMO
N#CCN1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1	ZINC000272058695	550419432	/nfs/dbraw/zinc/41/94/32/550419432.db2.gz	BVHCRFBDCBZFNA-WOJBJXKFSA-N	1	1	354.498	2.393	20	30		FEEDMO
CCOCCOCc1cccc(CNC(=O)C[NH+]2CCC(C)(C#N)CC2)c1	ZINC000272631917	550461911	/nfs/dbraw/zinc/46/19/11/550461911.db2.gz	WKISYELWRCVSMR-UHFFFAOYSA-N	1	1	373.497	2.482	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21	ZINC000273241877	550491239	/nfs/dbraw/zinc/49/12/39/550491239.db2.gz	WVWOHXFBYCNBCQ-DOTOQJQBSA-N	1	1	358.442	2.141	20	30		FEEDMO
N#Cc1cccc(CN2C(=O)N[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)c1	ZINC000274277045	550531063	/nfs/dbraw/zinc/53/10/63/550531063.db2.gz	AKKXLHMGXGOWEK-OAQYLSRUSA-N	1	1	360.417	2.255	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc(C(=O)OC)cc2)o1	ZINC000274807757	550556232	/nfs/dbraw/zinc/55/62/32/550556232.db2.gz	CHUODLBQYQUSDL-UHFFFAOYSA-N	1	1	363.435	2.424	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C	ZINC000276243925	550577650	/nfs/dbraw/zinc/57/76/50/550577650.db2.gz	OPYNXHFSKHAKFG-GBESFXJTSA-N	1	1	351.535	2.302	20	30		FEEDMO
N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1	ZINC000277442453	550670993	/nfs/dbraw/zinc/67/09/93/550670993.db2.gz	HBWQDWQQYMUWCA-CQSZACIVSA-N	1	1	360.845	2.283	20	30		FEEDMO
C#CCC(CC#C)C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1	ZINC000277480991	550675715	/nfs/dbraw/zinc/67/57/15/550675715.db2.gz	QLDPIUNZTOGVJQ-UHFFFAOYSA-N	1	1	351.494	2.103	20	30		FEEDMO
C=C[C@@H]1CCCCN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000494863645	561478160	/nfs/dbraw/zinc/47/81/60/561478160.db2.gz	DQQHWCHRGVCUTA-GOSISDBHSA-N	1	1	357.502	2.344	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC(CO)(Cc2ccccc2)CC1)C1CC1	ZINC000277650644	550696738	/nfs/dbraw/zinc/69/67/38/550696738.db2.gz	CYLOBYQVLDWSRV-FQEVSTJZSA-N	1	1	355.482	2.112	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CC)Cc2ccc(O[C@H](C)C(=O)OC)cc2)n1	ZINC000278990205	550844019	/nfs/dbraw/zinc/84/40/19/550844019.db2.gz	BCKYYNWUUFQFMH-MRXNPFEDSA-N	1	1	355.438	2.479	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CC)Cc2ccc(O[C@H](C)C(=O)OC)cc2)n1	ZINC000278990205	550844020	/nfs/dbraw/zinc/84/40/20/550844020.db2.gz	BCKYYNWUUFQFMH-MRXNPFEDSA-N	1	1	355.438	2.479	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc[nH+]c(N(C)C)c3)CC2)o1	ZINC000279718942	550920746	/nfs/dbraw/zinc/92/07/46/550920746.db2.gz	BOBLMKRCWXGNNV-UHFFFAOYSA-N	1	1	354.414	2.171	20	30		FEEDMO
C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000279721893	550921463	/nfs/dbraw/zinc/92/14/63/550921463.db2.gz	LXJANZATKOPEOV-MRXNPFEDSA-N	1	1	353.470	2.111	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CC)CCC(=O)NC(=O)Nc2ccccc2)n1	ZINC000279741774	550923569	/nfs/dbraw/zinc/92/35/69/550923569.db2.gz	OXQLZCQVDKJHCP-UHFFFAOYSA-N	1	1	353.426	2.077	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CC)CCC(=O)NC(=O)Nc2ccccc2)n1	ZINC000279741774	550923570	/nfs/dbraw/zinc/92/35/70/550923570.db2.gz	OXQLZCQVDKJHCP-UHFFFAOYSA-N	1	1	353.426	2.077	20	30		FEEDMO
C#CCn1ccc(CN(CC)CCC[N@@H+](CC)Cc2ccn(CC#C)n2)n1	ZINC000279746586	550924581	/nfs/dbraw/zinc/92/45/81/550924581.db2.gz	PQACTLLVDJPKHM-UHFFFAOYSA-N	1	1	366.513	2.080	20	30		FEEDMO
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccnc1C#N	ZINC000280106314	550961338	/nfs/dbraw/zinc/96/13/38/550961338.db2.gz	BKMUUOBRTKSZFH-YJBOKZPZSA-N	1	1	368.462	2.258	20	30		FEEDMO
Cc1oc(NC(=O)C[N@@H+](C)[C@H](CC(N)=O)c2ccccc2)c(C#N)c1C	ZINC000280303553	550978333	/nfs/dbraw/zinc/97/83/33/550978333.db2.gz	FXHVCEGDQMHYAK-MRXNPFEDSA-N	1	1	354.410	2.255	20	30		FEEDMO
Cc1oc(NC(=O)C[N@H+](C)[C@H](CC(N)=O)c2ccccc2)c(C#N)c1C	ZINC000280303553	550978335	/nfs/dbraw/zinc/97/83/35/550978335.db2.gz	FXHVCEGDQMHYAK-MRXNPFEDSA-N	1	1	354.410	2.255	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1	ZINC000281263549	551079133	/nfs/dbraw/zinc/07/91/33/551079133.db2.gz	VOIJGMMUVZZECU-OXJNMPFZSA-N	1	1	356.470	2.088	20	30		FEEDMO
CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(C#N)s1	ZINC000496863294	561496071	/nfs/dbraw/zinc/49/60/71/561496071.db2.gz	GSVMDMWMFOJGQE-CQSZACIVSA-N	1	1	363.483	2.499	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1	ZINC000281658192	551127284	/nfs/dbraw/zinc/12/72/84/551127284.db2.gz	YWTURVOYXMMDML-ZCNNSNEGSA-N	1	1	357.498	2.073	20	30		FEEDMO
C[N@@H+]1CC=C(CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1	ZINC000281839576	551146429	/nfs/dbraw/zinc/14/64/29/551146429.db2.gz	ALQNYSZMYDYMFI-UHFFFAOYSA-N	1	1	359.373	2.117	20	30		FEEDMO
C=CCN1CC[C@H]([NH+]2CCC(Oc3c(OC)cccc3OC)CC2)C1=O	ZINC000282070536	551176638	/nfs/dbraw/zinc/17/66/38/551176638.db2.gz	SWVCFUNQYKVNQR-INIZCTEOSA-N	1	1	360.454	2.334	20	30		FEEDMO
C[N@@H+](CCCC1(C#N)CCOCC1)CCN1C(=O)c2ccccc2C1=O	ZINC000282072982	551177131	/nfs/dbraw/zinc/17/71/31/551177131.db2.gz	TUGQORSEULBDKL-UHFFFAOYSA-N	1	1	355.438	2.315	20	30		FEEDMO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)cc2nn[nH]c21	ZINC000282117685	551183119	/nfs/dbraw/zinc/18/31/19/551183119.db2.gz	JIMNETABTSMKCZ-UHFFFAOYSA-N	1	1	366.400	2.173	20	30		FEEDMO
C=CCn1c(COc2cccc(C)c2)nnc1N1CC[NH+](CCOC)CC1	ZINC000282747378	551265859	/nfs/dbraw/zinc/26/58/59/551265859.db2.gz	YPCYEIZELSLBTM-UHFFFAOYSA-N	1	1	371.485	2.120	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)c3cc(C#N)ccn3)cc2)CC1	ZINC000282935518	551287344	/nfs/dbraw/zinc/28/73/44/551287344.db2.gz	GFQPLCRQJYQHPU-UHFFFAOYSA-N	1	1	363.465	2.021	20	30		FEEDMO
CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)c1ccsc1	ZINC000282959353	551289967	/nfs/dbraw/zinc/28/99/67/551289967.db2.gz	VWIIWOKKFHXVNB-HIFRSBDPSA-N	1	1	358.533	2.057	20	30		FEEDMO
N#Cc1cc(N2CC[NH+](Cc3cccc(O)c3)CC2)cc(N)c1[N+](=O)[O-]	ZINC000283717074	551415366	/nfs/dbraw/zinc/41/53/66/551415366.db2.gz	FRDNKFRWUBHTFR-UHFFFAOYSA-N	1	1	353.382	2.076	20	30		FEEDMO
Cn1c(CC#N)nnc1SC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000284218748	551506658	/nfs/dbraw/zinc/50/66/58/551506658.db2.gz	MINFZWQWOVAOSM-INIZCTEOSA-N	1	1	357.483	2.264	20	30		FEEDMO
Cc1noc([C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)C2CCOCC2)n1	ZINC000498341467	561522796	/nfs/dbraw/zinc/52/27/96/561522796.db2.gz	FDJHYDUXHRDCFI-SFHVURJKSA-N	1	1	369.425	2.336	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1	ZINC000498532178	561527176	/nfs/dbraw/zinc/52/71/76/561527176.db2.gz	BHRBDHXAIGTIBF-SFHVURJKSA-N	1	1	359.514	2.422	20	30		FEEDMO
Cc1onc(CC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1C#N	ZINC000498514416	561526516	/nfs/dbraw/zinc/52/65/16/561526516.db2.gz	OEVLSOVLTJAYSH-CQSZACIVSA-N	1	1	358.467	2.487	20	30		FEEDMO
CC(C)[C@@H](C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000284776815	551630491	/nfs/dbraw/zinc/63/04/91/551630491.db2.gz	FWUSTONWBALEEY-HSALFYBXSA-N	1	1	365.481	2.300	20	30		FEEDMO
C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000285800350	551812660	/nfs/dbraw/zinc/81/26/60/551812660.db2.gz	PTMXFTWNKISPKS-GASCZTMLSA-N	1	1	358.461	2.465	20	30		FEEDMO
COc1ccc(C(=O)CC[NH+]2CCN(c3ccc(C#N)cn3)CC2)cc1	ZINC000286136599	551853188	/nfs/dbraw/zinc/85/31/88/551853188.db2.gz	WRFLUBXSRLARPE-UHFFFAOYSA-N	1	1	350.422	2.357	20	30		FEEDMO
CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000286386718	551881863	/nfs/dbraw/zinc/88/18/63/551881863.db2.gz	IQOVDNOUXBDFCN-INIZCTEOSA-N	1	1	353.426	2.489	20	30		FEEDMO
CCN(CCC#N)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000286387466	551881926	/nfs/dbraw/zinc/88/19/26/551881926.db2.gz	ZQIQZTVXSVKRLX-UXHICEINSA-N	1	1	365.481	2.398	20	30		FEEDMO
CNC(=O)CC[C@@H]1CCCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000286471914	551889857	/nfs/dbraw/zinc/88/98/57/551889857.db2.gz	NTBXMSMHOUAZQA-HKUYNNGSSA-N	1	1	368.481	2.434	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)NCCCCN1CC[NH+](CC)CC1	ZINC000286703629	551916546	/nfs/dbraw/zinc/91/65/46/551916546.db2.gz	RFHIJUOMZNGCBJ-OAQYLSRUSA-N	1	1	370.541	2.338	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289034056	552255998	/nfs/dbraw/zinc/25/59/98/552255998.db2.gz	GFJVEVUNBNXHRW-PKOBYXMFSA-N	1	1	357.498	2.438	20	30		FEEDMO
O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000289496206	552331154	/nfs/dbraw/zinc/33/11/54/552331154.db2.gz	KAPUSQSVZZKJPE-IYBDPMFKSA-N	1	1	364.367	2.369	20	30		FEEDMO
O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000289496206	552331156	/nfs/dbraw/zinc/33/11/56/552331156.db2.gz	KAPUSQSVZZKJPE-IYBDPMFKSA-N	1	1	364.367	2.369	20	30		FEEDMO
C=C(C)C[NH+]1CCC(N[C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1	ZINC000289725005	552368330	/nfs/dbraw/zinc/36/83/30/552368330.db2.gz	LLANVACNGIFGOT-IBGZPJMESA-N	1	1	363.527	2.342	20	30		FEEDMO
CCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1O	ZINC000290183239	552439320	/nfs/dbraw/zinc/43/93/20/552439320.db2.gz	FLTDIEKRKRQTDG-UHFFFAOYSA-N	1	1	359.451	2.345	20	30		FEEDMO
CCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccccc1O	ZINC000290183239	552439323	/nfs/dbraw/zinc/43/93/23/552439323.db2.gz	FLTDIEKRKRQTDG-UHFFFAOYSA-N	1	1	359.451	2.345	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1	ZINC000500824973	561583514	/nfs/dbraw/zinc/58/35/14/561583514.db2.gz	DSRSQWPYMIJRLL-GOSISDBHSA-N	1	1	370.501	2.049	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(C#N)cc2)n1C	ZINC000290665514	552515768	/nfs/dbraw/zinc/51/57/68/552515768.db2.gz	FZUMKVMWBREIIO-HNNXBMFYSA-N	1	1	366.469	2.043	20	30		FEEDMO
COCC[C@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000291131658	552590962	/nfs/dbraw/zinc/59/09/62/552590962.db2.gz	BWRZDLKBOMPJNN-ZDUSSCGKSA-N	1	1	363.483	2.174	20	30		FEEDMO
COCC[C@H]1COCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000291131658	552590963	/nfs/dbraw/zinc/59/09/63/552590963.db2.gz	BWRZDLKBOMPJNN-ZDUSSCGKSA-N	1	1	363.483	2.174	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C	ZINC000292023563	552685584	/nfs/dbraw/zinc/68/55/84/552685584.db2.gz	PLAIFCBLGAVKPZ-MISYRCLQSA-N	1	1	355.482	2.126	20	30		FEEDMO
C=CCCCS(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000292711995	552751811	/nfs/dbraw/zinc/75/18/11/552751811.db2.gz	UARQKHQMSMUKLO-SFHVURJKSA-N	1	1	352.500	2.029	20	30		FEEDMO
COc1nc(N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)ncc1Br	ZINC000292833151	552762694	/nfs/dbraw/zinc/76/26/94/552762694.db2.gz	OYNLLWQWDTXNOA-VXGBXAGGSA-N	1	1	366.263	2.062	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F	ZINC000293315656	552810655	/nfs/dbraw/zinc/81/06/55/552810655.db2.gz	CBMCFJGCKZTITK-UHFFFAOYSA-N	1	1	355.360	2.105	20	30		FEEDMO
C#CCNC(=O)CC[N@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F	ZINC000293315656	552810656	/nfs/dbraw/zinc/81/06/56/552810656.db2.gz	CBMCFJGCKZTITK-UHFFFAOYSA-N	1	1	355.360	2.105	20	30		FEEDMO
C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000293525110	552832480	/nfs/dbraw/zinc/83/24/80/552832480.db2.gz	YHNCOACCJPBFRM-UHFFFAOYSA-N	1	1	373.497	2.218	20	30		FEEDMO
CC[C@H](CO)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1	ZINC000295689771	553044686	/nfs/dbraw/zinc/04/46/86/553044686.db2.gz	LLHXWRFVXUZCAA-OAHLLOKOSA-N	1	1	358.442	2.259	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1	ZINC000502332304	561616439	/nfs/dbraw/zinc/61/64/39/561616439.db2.gz	LQIMVYNFDWXGSY-MSOLQXFVSA-N	1	1	364.511	2.170	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(C(=O)N2CCCCC2)cc1	ZINC000296371069	553148833	/nfs/dbraw/zinc/14/88/33/553148833.db2.gz	RIGHPRHIQSFWRR-UHFFFAOYSA-N	1	1	370.497	2.067	20	30		FEEDMO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+](C2CC2)C1	ZINC000296398794	553153144	/nfs/dbraw/zinc/15/31/44/553153144.db2.gz	XVWZFANOSPNRER-OAHLLOKOSA-N	1	1	368.481	2.369	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000502777164	561625293	/nfs/dbraw/zinc/62/52/93/561625293.db2.gz	WXIJLEZFEFIDIN-GOSISDBHSA-N	1	1	372.494	2.358	20	30		FEEDMO
Cn1cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000502777164	561625294	/nfs/dbraw/zinc/62/52/94/561625294.db2.gz	WXIJLEZFEFIDIN-GOSISDBHSA-N	1	1	372.494	2.358	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CC1	ZINC000297357419	553282912	/nfs/dbraw/zinc/28/29/12/553282912.db2.gz	KTAGWSLCSBQFCR-UHFFFAOYSA-N	1	1	362.499	2.410	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N(Cc1ccccc1)C[C@@H](O)c1ccco1	ZINC000297516012	553302926	/nfs/dbraw/zinc/30/29/26/553302926.db2.gz	PNZLTYUHFBOYQK-LJQANCHMSA-N	1	1	369.465	2.480	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1	ZINC000297980981	553366153	/nfs/dbraw/zinc/36/61/53/553366153.db2.gz	IJGNIDCUWCOEKA-IBGZPJMESA-N	1	1	357.498	2.392	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1	ZINC000298011677	553370814	/nfs/dbraw/zinc/37/08/14/553370814.db2.gz	LDJRBVJDUQLJCH-OAQYLSRUSA-N	1	1	355.482	2.146	20	30		FEEDMO
COc1cccc([C@H](CNS(=O)(=O)Cc2cccc(C#N)c2)[NH+](C)C)c1	ZINC000298375268	553418153	/nfs/dbraw/zinc/41/81/53/553418153.db2.gz	AUMKMYFLKBMVAZ-IBGZPJMESA-N	1	1	373.478	2.289	20	30		FEEDMO
C[C@H](C[S@](C)=O)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000299064633	553510572	/nfs/dbraw/zinc/51/05/72/553510572.db2.gz	SQEMJKQRWVUDMP-BGJPBQGDSA-N	1	1	353.513	2.136	20	30		FEEDMO
N#Cc1cc(F)ccc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1	ZINC000301395964	553648877	/nfs/dbraw/zinc/64/88/77/553648877.db2.gz	FSRJNRBTGIISIM-GOSISDBHSA-N	1	1	355.413	2.259	20	30		FEEDMO
N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000301576472	553662914	/nfs/dbraw/zinc/66/29/14/553662914.db2.gz	YUMQZQGZMKFDHU-KBPBESRZSA-N	1	1	354.376	2.398	20	30		FEEDMO
C[N@H+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1(C)C	ZINC000602931868	553672427	/nfs/dbraw/zinc/67/24/27/553672427.db2.gz	ITAXPAMUPZJEAL-UHFFFAOYSA-N	1	1	356.405	2.441	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N[C@@H]1CCCN(C2CCCCC2)C1=O	ZINC000328603389	553795044	/nfs/dbraw/zinc/79/50/44/553795044.db2.gz	HRRQEIBUDJYUQA-KURKYZTESA-N	1	1	362.518	2.441	20	30		FEEDMO
CNC(=O)Cc1noc(CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1	ZINC000328645741	553801920	/nfs/dbraw/zinc/80/19/20/553801920.db2.gz	GNWOCAINAWDISF-ZDUSSCGKSA-N	1	1	358.446	2.111	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O	ZINC000328665651	553804590	/nfs/dbraw/zinc/80/45/90/553804590.db2.gz	ZJTXXSAFTUGUAX-CVEARBPZSA-N	1	1	373.453	2.252	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@H]2CCCC23CCOCC3)C[C@H](C)O1	ZINC000328693603	553808427	/nfs/dbraw/zinc/80/84/27/553808427.db2.gz	FSCIEELHFIAKCI-BBWFWOEESA-N	1	1	353.507	2.291	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@H]2CCCC23CCOCC3)C[C@H](C)O1	ZINC000328693603	553808429	/nfs/dbraw/zinc/80/84/29/553808429.db2.gz	FSCIEELHFIAKCI-BBWFWOEESA-N	1	1	353.507	2.291	20	30		FEEDMO
O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cn2c(n1)CCCC2	ZINC000328701297	553809168	/nfs/dbraw/zinc/80/91/68/553809168.db2.gz	JCAJLXRCUNPEKV-KRWDZBQOSA-N	1	1	354.454	2.291	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)C1	ZINC000328718576	553811578	/nfs/dbraw/zinc/81/15/78/553811578.db2.gz	PXFRPPYXKUYVOM-JFIYKMOQSA-N	1	1	358.486	2.416	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)C1	ZINC000328810466	553825681	/nfs/dbraw/zinc/82/56/81/553825681.db2.gz	DVSACURWYOWEPS-RDJZCZTQSA-N	1	1	367.877	2.428	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1	ZINC000328822120	553828060	/nfs/dbraw/zinc/82/80/60/553828060.db2.gz	IAKLEMVRRGUTJQ-LBPRGKRZSA-N	1	1	369.368	2.396	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000328829176	553829126	/nfs/dbraw/zinc/82/91/26/553829126.db2.gz	JEBDGHWUQCKSTD-KFWWJZLASA-N	1	1	350.463	2.132	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000328829176	553829127	/nfs/dbraw/zinc/82/91/27/553829127.db2.gz	JEBDGHWUQCKSTD-KFWWJZLASA-N	1	1	350.463	2.132	20	30		FEEDMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC1CCC(F)(F)CC1	ZINC000328874545	553836920	/nfs/dbraw/zinc/83/69/20/553836920.db2.gz	FORSIAXWCQQTDL-HNNXBMFYSA-N	1	1	373.444	2.234	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C	ZINC000328890975	553839769	/nfs/dbraw/zinc/83/97/69/553839769.db2.gz	SDMKYDBXDSYAKY-RKVPGOIHSA-N	1	1	361.490	2.161	20	30		FEEDMO
Cc1ccc([C@H](CN2CCOCC2)NC(=O)[C@H]2CCc3nn[nH]c3C2)cc1	ZINC000328936332	553848505	/nfs/dbraw/zinc/84/85/05/553848505.db2.gz	FWCHLCBPIUEXNH-LPHOPBHVSA-N	1	1	369.469	2.248	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000505930585	561685548	/nfs/dbraw/zinc/68/55/48/561685548.db2.gz	PSSBKGAMPCNLKM-ZRGWGRIASA-N	1	1	351.491	2.485	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(S(=O)(=O)NC2CC2)c1	ZINC000328955447	553853118	/nfs/dbraw/zinc/85/31/18/553853118.db2.gz	YYACZZFYGDOKQU-SJORKVTESA-N	1	1	363.483	2.059	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)NCC(=O)N2CCCc3ccccc32)C[C@H]1C	ZINC000328975852	553856853	/nfs/dbraw/zinc/85/68/53/553856853.db2.gz	PYZUBWYVSMTDDT-CVEARBPZSA-N	1	1	358.486	2.294	20	30		FEEDMO
Cc1nnc2n1C[C@@H](C[NH+]=C([O-])NC1CC[NH+](CC3CCCC3)CC1)CC2	ZINC000329014015	553864760	/nfs/dbraw/zinc/86/47/60/553864760.db2.gz	JFIQTDBORIRKFK-QGZVFWFLSA-N	1	1	374.533	2.307	20	30		FEEDMO
Cc1nnc2n1C[C@@H](CNC([O-])=[NH+]C1CC[NH+](CC3CCCC3)CC1)CC2	ZINC000329014015	553864763	/nfs/dbraw/zinc/86/47/63/553864763.db2.gz	JFIQTDBORIRKFK-QGZVFWFLSA-N	1	1	374.533	2.307	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1	ZINC000329088088	553878136	/nfs/dbraw/zinc/87/81/36/553878136.db2.gz	HUBJRSSNXDZLRB-PBHICJAKSA-N	1	1	374.489	2.496	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)C1	ZINC000329091384	553879121	/nfs/dbraw/zinc/87/91/21/553879121.db2.gz	ADSUOCQJUBFXBA-CVEARBPZSA-N	1	1	350.507	2.156	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[C@@H]1c1ccccc1	ZINC000329107717	553881651	/nfs/dbraw/zinc/88/16/51/553881651.db2.gz	DZJCNSKPVDYGCS-DOADOZAASA-N	1	1	359.470	2.274	20	30		FEEDMO
CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1	ZINC000329136599	553887000	/nfs/dbraw/zinc/88/70/00/553887000.db2.gz	CVUQFGRAPDFTFB-GJZGRUSLSA-N	1	1	357.520	2.022	20	30		FEEDMO
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NCC[N@@H+]1CCC[C@H](C)C1	ZINC000329144296	553888325	/nfs/dbraw/zinc/88/83/25/553888325.db2.gz	MVQBJYPSMXBKAZ-YOEHRIQHSA-N	1	1	363.506	2.056	20	30		FEEDMO
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000329151105	553890209	/nfs/dbraw/zinc/89/02/09/553890209.db2.gz	ZXPYIXXLIQTHCZ-NCOADZHNSA-N	1	1	363.506	2.357	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc(Br)ccc1=O	ZINC000329176670	553895964	/nfs/dbraw/zinc/89/59/64/553895964.db2.gz	BYVRAYVNWBEBLT-ZDUSSCGKSA-N	1	1	356.264	2.442	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)CCC[N@H+]1C	ZINC000329179485	553896807	/nfs/dbraw/zinc/89/68/07/553896807.db2.gz	MSWBCOGDBVBXNG-PMUMKWKESA-N	1	1	372.473	2.035	20	30		FEEDMO
O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC[C@H]1CCCS(=O)(=O)C1	ZINC000329237043	553908361	/nfs/dbraw/zinc/90/83/61/553908361.db2.gz	OSUQQXZNPLTOQV-NVXWUHKLSA-N	1	1	371.547	2.112	20	30		FEEDMO
C[C@@H](NC(=O)N[C@@H](C)c1nnc2n1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000329322487	553925391	/nfs/dbraw/zinc/92/53/91/553925391.db2.gz	UTTDXYBCSQSPLZ-ILXRZTDVSA-N	1	1	360.506	2.442	20	30		FEEDMO
CC(C)[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCO1	ZINC000329409688	553941194	/nfs/dbraw/zinc/94/11/94/553941194.db2.gz	BPBVJMVCGBYRRM-RYQLBKOJSA-N	1	1	363.506	2.074	20	30		FEEDMO
O=C(NCC1CCN(C(=O)c2ccccc2)CC1)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000329412771	553941989	/nfs/dbraw/zinc/94/19/89/553941989.db2.gz	FEVZOHLWUZZCLX-GOSISDBHSA-N	1	1	370.497	2.279	20	30		FEEDMO
C[C@H]1CSCCN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C	ZINC000329438543	553947476	/nfs/dbraw/zinc/94/74/76/553947476.db2.gz	JRLLBRHARCYFAW-OFQRWUPVSA-N	1	1	351.520	2.154	20	30		FEEDMO
Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CCC[N@H+](C3CCCC3)CC1)CC2	ZINC000329464899	553951928	/nfs/dbraw/zinc/95/19/28/553951928.db2.gz	UUNWNUDFFRVTMR-INIZCTEOSA-N	1	1	360.506	2.013	20	30		FEEDMO
Cc1nnc2n1C[C@H](CNC(=O)N1CCC[N@@H+](C3CCCC3)CC1)CC2	ZINC000329464899	553951929	/nfs/dbraw/zinc/95/19/29/553951929.db2.gz	UUNWNUDFFRVTMR-INIZCTEOSA-N	1	1	360.506	2.013	20	30		FEEDMO
Cc1nnc2n1C[C@H](CNC(=O)N1CCC[N@H+](C3CCCC3)CC1)CC2	ZINC000329464899	553951932	/nfs/dbraw/zinc/95/19/32/553951932.db2.gz	UUNWNUDFFRVTMR-INIZCTEOSA-N	1	1	360.506	2.013	20	30		FEEDMO
Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000329485041	553955774	/nfs/dbraw/zinc/95/57/74/553955774.db2.gz	QPPHUBLJOBHSCM-QGZVFWFLSA-N	1	1	358.486	2.130	20	30		FEEDMO
Cc1ccc(N2CCC[C@@H](NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)nn1	ZINC000329528160	553962258	/nfs/dbraw/zinc/96/22/58/553962258.db2.gz	ICFARWUWANUNKH-HRBLRVMOSA-N	1	1	372.517	2.225	20	30		FEEDMO
CC[N@H+]1CC[C@H]2OCCN(C(=O)C[C@@H](C)NC(=O)C3CCCC3)[C@H]2C1	ZINC000329530813	553962686	/nfs/dbraw/zinc/96/26/86/553962686.db2.gz	JBBZNITWZIJALI-HYVNUMGLSA-N	1	1	351.491	2.233	20	30		FEEDMO
Cc1noc([C@H](NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C2CCOCC2)n1	ZINC000329535515	553963254	/nfs/dbraw/zinc/96/32/54/553963254.db2.gz	ZKSSLGOSTXNDQZ-GOEBONIOSA-N	1	1	365.478	2.033	20	30		FEEDMO
C[C@H](CNC(=O)Nc1ncn(C(C)(C)C)n1)[N@@H+]1CCc2sccc2C1	ZINC000329590652	553973233	/nfs/dbraw/zinc/97/32/33/553973233.db2.gz	YORGSGOSAPKIPU-GFCCVEGCSA-N	1	1	362.503	2.867	20	30		FEEDMO
C[C@H](CNC(=O)Nc1ncn(C(C)(C)C)n1)[N@H+]1CCc2sccc2C1	ZINC000329590652	553973237	/nfs/dbraw/zinc/97/32/37/553973237.db2.gz	YORGSGOSAPKIPU-GFCCVEGCSA-N	1	1	362.503	2.867	20	30		FEEDMO
C[C@]12CCC[N@@H+]1C[C@@H](c1noc(CNC(=O)NC3CCCCC3)n1)OC2	ZINC000329617819	553977238	/nfs/dbraw/zinc/97/72/38/553977238.db2.gz	STHHBBGCFFLWON-KBXCAEBGSA-N	1	1	363.462	2.332	20	30		FEEDMO
C[C@]12CCC[N@H+]1C[C@@H](c1noc(CNC(=O)NC3CCCCC3)n1)OC2	ZINC000329617819	553977239	/nfs/dbraw/zinc/97/72/39/553977239.db2.gz	STHHBBGCFFLWON-KBXCAEBGSA-N	1	1	363.462	2.332	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)C12CCC2	ZINC000329618370	553977523	/nfs/dbraw/zinc/97/75/23/553977523.db2.gz	GDLHNASXDAJNSU-WCXIOVBPSA-N	1	1	351.491	2.043	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)NC[C@H]1COc2ccccc2O1	ZINC000329667382	553985109	/nfs/dbraw/zinc/98/51/09/553985109.db2.gz	RMNFQDHUSOTWJK-ZACQAIPSSA-N	1	1	359.470	2.342	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1)[NH+]1CCOCC1	ZINC000329733190	553997274	/nfs/dbraw/zinc/99/72/74/553997274.db2.gz	QRLJPSRKIJZSTF-BBWFWOEESA-N	1	1	353.507	2.147	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2COCCO2)[C@@H]1c1cccs1	ZINC000329813343	554011086	/nfs/dbraw/zinc/01/10/86/554011086.db2.gz	NKVVLGLYDNHFRZ-IIAWOOMASA-N	1	1	353.488	2.050	20	30		FEEDMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1	ZINC000329914854	554030178	/nfs/dbraw/zinc/03/01/78/554030178.db2.gz	CSSYRWXZDKORFR-OKZBNKHCSA-N	1	1	364.534	2.355	20	30		FEEDMO
CN1CCO[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@H]21	ZINC000329927404	554033387	/nfs/dbraw/zinc/03/33/87/554033387.db2.gz	LNXAYIMVPAYOAJ-CVEARBPZSA-N	1	1	374.510	2.491	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1	ZINC000329995798	554046262	/nfs/dbraw/zinc/04/62/62/554046262.db2.gz	NTKOVYHGAQDSTQ-INIZCTEOSA-N	1	1	365.499	2.258	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000330024786	554051288	/nfs/dbraw/zinc/05/12/88/554051288.db2.gz	KBLIQNIWXICJKS-WBVHZDCISA-N	1	1	351.410	2.186	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cn([C@H]2CCOC2)nn1	ZINC000330078586	554060684	/nfs/dbraw/zinc/06/06/84/554060684.db2.gz	FPKGPSDJTHMLLM-NJAFHUGGSA-N	1	1	369.469	2.455	20	30		FEEDMO
O=C(c1ccsc1)N1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1	ZINC000330197642	554082981	/nfs/dbraw/zinc/08/29/81/554082981.db2.gz	SCCHQJGFFUXMPS-HNNXBMFYSA-N	1	1	373.482	2.022	20	30		FEEDMO
CC(C)CN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H](C)C1=O	ZINC000330202066	554084558	/nfs/dbraw/zinc/08/45/58/554084558.db2.gz	YVGMVVSDYOKLDP-XYTVBORESA-N	1	1	350.507	2.104	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C	ZINC000330238510	554091065	/nfs/dbraw/zinc/09/10/65/554091065.db2.gz	HXLWXRVPWFUIHZ-FSZRXZPDSA-N	1	1	361.490	2.016	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCO[C@H]1C1CC1	ZINC000330242855	554091713	/nfs/dbraw/zinc/09/17/13/554091713.db2.gz	CHVQANNSEXRJLY-SVFBPWRDSA-N	1	1	373.497	2.037	20	30		FEEDMO
CCn1cc(-c2n[nH]cc2C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1	ZINC000330255488	554094074	/nfs/dbraw/zinc/09/40/74/554094074.db2.gz	JYJGUNDVSLZNOS-OKILXGFUSA-N	1	1	374.489	2.486	20	30		FEEDMO
CCn1cc(-c2n[nH]cc2C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1	ZINC000330255488	554094076	/nfs/dbraw/zinc/09/40/76/554094076.db2.gz	JYJGUNDVSLZNOS-OKILXGFUSA-N	1	1	374.489	2.486	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1ccc2c(c1)COC2	ZINC000330271050	554097251	/nfs/dbraw/zinc/09/72/51/554097251.db2.gz	VHSBYISGIXOTND-HNNXBMFYSA-N	1	1	359.470	2.316	20	30		FEEDMO
N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1	ZINC000330298757	554101861	/nfs/dbraw/zinc/10/18/61/554101861.db2.gz	HPCKZWSLYDHKIR-INIZCTEOSA-N	1	1	362.499	2.276	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cnn(CCO)c1-c1ccccc1	ZINC000330324758	554105505	/nfs/dbraw/zinc/10/55/05/554105505.db2.gz	ITCRONZTYGEMQH-QZTJIDSGSA-N	1	1	354.454	2.474	20	30		FEEDMO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1	ZINC000330368655	554112120	/nfs/dbraw/zinc/11/21/20/554112120.db2.gz	AHDBFWLSXYTHSZ-WQVCFCJDSA-N	1	1	370.906	2.011	20	30		FEEDMO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1	ZINC000330368655	554112122	/nfs/dbraw/zinc/11/21/22/554112122.db2.gz	AHDBFWLSXYTHSZ-WQVCFCJDSA-N	1	1	370.906	2.011	20	30		FEEDMO
C[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC(=O)N1C	ZINC000330399130	554116443	/nfs/dbraw/zinc/11/64/43/554116443.db2.gz	CSVDZDGIVJNEES-DOMZBBRYSA-N	1	1	352.866	2.019	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1	ZINC000330416915	554118860	/nfs/dbraw/zinc/11/88/60/554118860.db2.gz	OEGMBJVLFQRWND-INIZCTEOSA-N	1	1	364.515	2.062	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1	ZINC000330416915	554118862	/nfs/dbraw/zinc/11/88/62/554118862.db2.gz	OEGMBJVLFQRWND-INIZCTEOSA-N	1	1	364.515	2.062	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000330427868	554120226	/nfs/dbraw/zinc/12/02/26/554120226.db2.gz	UDMYARSDLWCAEF-NUJGCVRESA-N	1	1	364.515	2.108	20	30		FEEDMO
COC(=O)c1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc(C)c1C	ZINC000330530427	554134449	/nfs/dbraw/zinc/13/44/49/554134449.db2.gz	GGSUPEIHIXLIDQ-UONOGXRCSA-N	1	1	363.458	2.022	20	30		FEEDMO
CCCS(=O)(=O)Nc1cccc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c1	ZINC000330708582	554160878	/nfs/dbraw/zinc/16/08/78/554160878.db2.gz	NTACTEPKVWNQHI-UONOGXRCSA-N	1	1	368.503	2.408	20	30		FEEDMO
CC(C)Oc1c(F)cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1F	ZINC000330806594	554174400	/nfs/dbraw/zinc/17/44/00/554174400.db2.gz	HREBLXQFXIDHDU-CYBMUJFWSA-N	1	1	356.417	2.324	20	30		FEEDMO
CCc1ccc(C[NH+]2CCN([C@H](C)C(=O)NC(=O)NC(C)C)CC2)s1	ZINC000330884120	554182811	/nfs/dbraw/zinc/18/28/11/554182811.db2.gz	KIOYXIREVRKWAA-CQSZACIVSA-N	1	1	366.531	2.255	20	30		FEEDMO
CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000330890691	554183839	/nfs/dbraw/zinc/18/38/39/554183839.db2.gz	JKZZVUQVNAYTMP-UWVGGRQHSA-N	1	1	361.368	2.047	20	30		FEEDMO
CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000330890691	554183843	/nfs/dbraw/zinc/18/38/43/554183843.db2.gz	JKZZVUQVNAYTMP-UWVGGRQHSA-N	1	1	361.368	2.047	20	30		FEEDMO
CC(C)CNC(=O)N1CCC[C@H](C(=O)NCC[N@H+]2CCCC[C@H]2C)C1	ZINC000330911904	554186996	/nfs/dbraw/zinc/18/69/96/554186996.db2.gz	QQCQLOUUODNBOO-SJORKVTESA-N	1	1	352.523	2.259	20	30		FEEDMO
COc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1OC(C)C	ZINC000330975582	554196200	/nfs/dbraw/zinc/19/62/00/554196200.db2.gz	HGWOVTXBWRHFII-GJZGRUSLSA-N	1	1	365.474	2.415	20	30		FEEDMO
Cc1cccc(C[N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1C	ZINC000331124743	554217560	/nfs/dbraw/zinc/21/75/60/554217560.db2.gz	AXRPBBHAWGWJSN-HXUWFJFHSA-N	1	1	356.514	2.428	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)CC[N@H+]1C[C@@H](C)O	ZINC000331128377	554218047	/nfs/dbraw/zinc/21/80/47/554218047.db2.gz	IGHGUVRYBXQJBY-DOMZBBRYSA-N	1	1	366.437	2.107	20	30		FEEDMO
CC[C@H](C)n1ncc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1C	ZINC000331168560	554224975	/nfs/dbraw/zinc/22/49/75/554224975.db2.gz	YWFBMSQLGJQLER-KBPBESRZSA-N	1	1	351.495	2.485	20	30		FEEDMO
C=CCn1c(-c2ccc[nH]2)nnc1N1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000508747066	561771348	/nfs/dbraw/zinc/77/13/48/561771348.db2.gz	MYNWWYJUJKFIIP-OAHLLOKOSA-N	1	1	356.474	2.149	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](CNC(N)=O)C1	ZINC000331272613	554239528	/nfs/dbraw/zinc/23/95/28/554239528.db2.gz	VNVOGHSQWCBVDD-JKSUJKDBSA-N	1	1	353.511	2.205	20	30		FEEDMO
C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[NH+](C2CC2)CC1	ZINC000508824434	561773939	/nfs/dbraw/zinc/77/39/39/561773939.db2.gz	BWQFUPGEHTUVAX-SFHVURJKSA-N	1	1	351.454	2.425	20	30		FEEDMO
C=CCn1c(-c2ncccc2C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000508914127	561777939	/nfs/dbraw/zinc/77/79/39/561777939.db2.gz	ROYLVIOMCZZDQM-CALCHBBNSA-N	1	1	370.501	2.380	20	30		FEEDMO
C=CCn1c(-c2ncccc2C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000508914127	561777940	/nfs/dbraw/zinc/77/79/40/561777940.db2.gz	ROYLVIOMCZZDQM-CALCHBBNSA-N	1	1	370.501	2.380	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000331435417	554264346	/nfs/dbraw/zinc/26/43/46/554264346.db2.gz	ZDJBVKBTGFBUOX-NVXWUHKLSA-N	1	1	354.454	2.220	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000331435417	554264348	/nfs/dbraw/zinc/26/43/48/554264348.db2.gz	ZDJBVKBTGFBUOX-NVXWUHKLSA-N	1	1	354.454	2.220	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1	ZINC000332077867	554375362	/nfs/dbraw/zinc/37/53/62/554375362.db2.gz	HEHLNNUCZLZYGK-CVEARBPZSA-N	1	1	357.454	2.037	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000332401201	554439337	/nfs/dbraw/zinc/43/93/37/554439337.db2.gz	SSEXZDQXDKCXIP-GJZGRUSLSA-N	1	1	358.461	2.465	20	30		FEEDMO
C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCOC1	ZINC000510132460	561826334	/nfs/dbraw/zinc/82/63/34/561826334.db2.gz	LRMGVRCWOVCBNO-MRXNPFEDSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCCOC1	ZINC000510132460	561826335	/nfs/dbraw/zinc/82/63/35/561826335.db2.gz	LRMGVRCWOVCBNO-MRXNPFEDSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@]2(C#N)CC23CCCC3)CC1	ZINC000333241147	554593167	/nfs/dbraw/zinc/59/31/67/554593167.db2.gz	WKSHMZYHBLREQG-LVCYWYKZSA-N	1	1	358.530	2.477	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000333287764	554599168	/nfs/dbraw/zinc/59/91/68/554599168.db2.gz	QVLLYFLNSATHPG-HZPDHXFCSA-N	1	1	372.494	2.059	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000333287764	554599169	/nfs/dbraw/zinc/59/91/69/554599169.db2.gz	QVLLYFLNSATHPG-HZPDHXFCSA-N	1	1	372.494	2.059	20	30		FEEDMO
C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(F)(C#N)CC1	ZINC000510936628	561851642	/nfs/dbraw/zinc/85/16/42/561851642.db2.gz	PFUMOKLNCFJWML-WMZOPIPTSA-N	1	1	358.461	2.093	20	30		FEEDMO
C=CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1CCOC1	ZINC000359912233	554856745	/nfs/dbraw/zinc/85/67/45/554856745.db2.gz	YTURMLCUVVQKFN-OALUTQOASA-N	1	1	364.511	2.115	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1	ZINC000360827838	554891014	/nfs/dbraw/zinc/89/10/14/554891014.db2.gz	FPEDPBQUMBTCTC-HOCLYGCPSA-N	1	1	372.494	2.231	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1	ZINC000360827838	554891015	/nfs/dbraw/zinc/89/10/15/554891015.db2.gz	FPEDPBQUMBTCTC-HOCLYGCPSA-N	1	1	372.494	2.231	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1	ZINC000361630438	554926903	/nfs/dbraw/zinc/92/69/03/554926903.db2.gz	YJQLVVVUHOYRKH-INIZCTEOSA-N	1	1	363.421	2.242	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)cc1	ZINC000361630438	554926904	/nfs/dbraw/zinc/92/69/04/554926904.db2.gz	YJQLVVVUHOYRKH-INIZCTEOSA-N	1	1	363.421	2.242	20	30		FEEDMO
C[NH+]1CCN(C[C@@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)CC1	ZINC000361831914	554937210	/nfs/dbraw/zinc/93/72/10/554937210.db2.gz	XRFMQRITKWKQRQ-AWEZNQCLSA-N	1	1	367.419	2.436	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)N[C@@H]2CCCN(c3ccccc3C#N)C2)CC1	ZINC000361988563	554942033	/nfs/dbraw/zinc/94/20/33/554942033.db2.gz	WRNANXPDTMGSLB-GOSISDBHSA-N	1	1	353.470	2.088	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1	ZINC000362942699	555001364	/nfs/dbraw/zinc/00/13/64/555001364.db2.gz	QZARNHWANKFXGA-GOSISDBHSA-N	1	1	354.454	2.364	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000363034002	555014861	/nfs/dbraw/zinc/01/48/61/555014861.db2.gz	GGFODHBANCOCQR-GJZGRUSLSA-N	1	1	372.494	2.374	20	30		FEEDMO
C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)n1cnc(C#N)n1	ZINC000511743367	561879453	/nfs/dbraw/zinc/87/94/53/561879453.db2.gz	MZIPWABGBKRMJW-DOTOQJQBSA-N	1	1	366.469	2.128	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3[C@H](C(N)=O)C[C@@H]4CCCC[C@@H]43)o2)cc1	ZINC000363447044	555107674	/nfs/dbraw/zinc/10/76/74/555107674.db2.gz	ANUNUEAJPJYOIL-JYJNAYRXSA-N	1	1	351.410	2.227	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3[C@H](C(N)=O)C[C@@H]4CCCC[C@@H]43)o2)cc1	ZINC000363447044	555107676	/nfs/dbraw/zinc/10/76/76/555107676.db2.gz	ANUNUEAJPJYOIL-JYJNAYRXSA-N	1	1	351.410	2.227	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc(OCC#N)cc1	ZINC000363663956	555159032	/nfs/dbraw/zinc/15/90/32/555159032.db2.gz	VYGHXMJIHWCEGB-LSTHTHJFSA-N	1	1	371.481	2.137	20	30		FEEDMO
COC(=O)[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1cccc(C#N)c1	ZINC000363707159	555168691	/nfs/dbraw/zinc/16/86/91/555168691.db2.gz	PSTIWXUNFLYMIH-XWPNQZOQSA-N	1	1	371.481	2.251	20	30		FEEDMO
Cn1cc(C[NH2+][C@](C)(C(N)=O)c2ccccc2)c(-c2ccc(C#N)cc2)n1	ZINC000363710687	555168890	/nfs/dbraw/zinc/16/88/90/555168890.db2.gz	MIEQVMDYYQDQEB-NRFANRHFSA-N	1	1	359.433	2.449	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000363870692	555203209	/nfs/dbraw/zinc/20/32/09/555203209.db2.gz	WYDBHHZLGWEEMZ-SJLPKXTDSA-N	1	1	352.523	2.242	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000363870692	555203210	/nfs/dbraw/zinc/20/32/10/555203210.db2.gz	WYDBHHZLGWEEMZ-SJLPKXTDSA-N	1	1	352.523	2.242	20	30		FEEDMO
C=CCN(C[C@H](C)CS(C)(=O)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363946232	555219755	/nfs/dbraw/zinc/21/97/55/555219755.db2.gz	BZPQQWBUKPUWKK-PKOBYXMFSA-N	1	1	350.528	2.430	20	30		FEEDMO
C=CCN(C[C@H](C)CS(C)(=O)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363946232	555219757	/nfs/dbraw/zinc/21/97/57/555219757.db2.gz	BZPQQWBUKPUWKK-PKOBYXMFSA-N	1	1	350.528	2.430	20	30		FEEDMO
C=CCN(C(=O)N[C@H](C)C[S@@](C)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364277635	555283333	/nfs/dbraw/zinc/28/33/33/555283333.db2.gz	CZKCPUWLPNIJAC-JTWNBILESA-N	1	1	363.527	2.226	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O)C1(C#N)CCCCC1	ZINC000364432957	555313041	/nfs/dbraw/zinc/31/30/41/555313041.db2.gz	DSLJIFCLKCPMPH-NRFANRHFSA-N	1	1	366.465	2.267	20	30		FEEDMO
C=CCN(C(=O)COCc1nc(C)no1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364579262	555343701	/nfs/dbraw/zinc/34/37/01/555343701.db2.gz	VKHCBVDDWWUVSA-SFHVURJKSA-N	1	1	370.453	2.184	20	30		FEEDMO
C[NH+](C)[C@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)c1ccccc1	ZINC000365094675	555483829	/nfs/dbraw/zinc/48/38/29/555483829.db2.gz	CYWTYNJJIONWRZ-FQEVSTJZSA-N	1	1	363.465	2.659	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1OC	ZINC000365337607	555547270	/nfs/dbraw/zinc/54/72/70/555547270.db2.gz	CVLXNRZJXGHJSZ-SFHVURJKSA-N	1	1	373.497	2.112	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@](C)(CC(=O)OC)c1cccc(F)c1	ZINC000513138143	561926639	/nfs/dbraw/zinc/92/66/39/561926639.db2.gz	DRLBHEWQGWUMCU-AUUYWEPGSA-N	1	1	363.433	2.202	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1	ZINC000365542955	555604548	/nfs/dbraw/zinc/60/45/48/555604548.db2.gz	AODYDDNHIOUKKH-YSIASYRMSA-N	1	1	369.513	2.289	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(O)(Cc2ccccc2F)CC1	ZINC000365855579	555684104	/nfs/dbraw/zinc/68/41/04/555684104.db2.gz	IGDFCJQRURLVJO-IBGZPJMESA-N	1	1	361.461	2.250	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F	ZINC000365959308	555711473	/nfs/dbraw/zinc/71/14/73/555711473.db2.gz	IQTDRAAYHNYREN-MRRJBJDNSA-N	1	1	363.408	2.456	20	30		FEEDMO
CC(C)[N@H+]1CCO[C@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000366182907	555774417	/nfs/dbraw/zinc/77/44/17/555774417.db2.gz	KLSXXUAPWUSKQU-INIZCTEOSA-N	1	1	354.372	2.282	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(C(=O)NCC#Cc3cccc(F)c3)cc2)CC1	ZINC000513918618	561954490	/nfs/dbraw/zinc/95/44/90/561954490.db2.gz	NAUNGHHEIVMEJS-UHFFFAOYSA-N	1	1	365.452	2.355	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3cccnc3)CC2)cc1	ZINC000366514617	555864919	/nfs/dbraw/zinc/86/49/19/555864919.db2.gz	XRBQKAHYPYFCLC-UHFFFAOYSA-N	1	1	363.421	2.242	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)CCO1	ZINC000366884798	555959870	/nfs/dbraw/zinc/95/98/70/555959870.db2.gz	OOWNTUUOTGZOOA-MRXNPFEDSA-N	1	1	367.490	2.312	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCO1	ZINC000366884798	555959873	/nfs/dbraw/zinc/95/98/73/555959873.db2.gz	OOWNTUUOTGZOOA-MRXNPFEDSA-N	1	1	367.490	2.312	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc(S(N)(=O)=O)ccc1C#N	ZINC000367326534	556019150	/nfs/dbraw/zinc/01/91/50/556019150.db2.gz	KPSBTXHNCWAILF-IFXJQAMLSA-N	1	1	370.478	2.138	20	30		FEEDMO
CN(CCC#N)c1ccc(CN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)cc1	ZINC000367467114	556058075	/nfs/dbraw/zinc/05/80/75/556058075.db2.gz	IJWPFMHFPARARN-RTWAWAEBSA-N	1	1	356.514	2.458	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCC[C@H]2CO)cc1	ZINC000367467114	556058079	/nfs/dbraw/zinc/05/80/79/556058079.db2.gz	IJWPFMHFPARARN-RTWAWAEBSA-N	1	1	356.514	2.458	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2CN2CCC[C@H]2CO)cc1	ZINC000367467114	556058083	/nfs/dbraw/zinc/05/80/83/556058083.db2.gz	IJWPFMHFPARARN-RTWAWAEBSA-N	1	1	356.514	2.458	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1Cl	ZINC000367571982	556086092	/nfs/dbraw/zinc/08/60/92/556086092.db2.gz	BZZMXAAODVXTDB-IAGOWNOFSA-N	1	1	363.845	2.420	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cc1Cl	ZINC000367571982	556086094	/nfs/dbraw/zinc/08/60/94/556086094.db2.gz	BZZMXAAODVXTDB-IAGOWNOFSA-N	1	1	363.845	2.420	20	30		FEEDMO
CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1	ZINC000367689459	556115314	/nfs/dbraw/zinc/11/53/14/556115314.db2.gz	VPXSTBSWFUOIDA-GOSISDBHSA-N	1	1	365.499	2.225	20	30		FEEDMO
CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1	ZINC000367689459	556115316	/nfs/dbraw/zinc/11/53/16/556115316.db2.gz	VPXSTBSWFUOIDA-GOSISDBHSA-N	1	1	365.499	2.225	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1	ZINC000368775857	556410534	/nfs/dbraw/zinc/41/05/34/556410534.db2.gz	UWRJWMABAUHGJP-KRWDZBQOSA-N	1	1	355.486	2.408	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCCC3)C2)c1	ZINC000368869362	556433882	/nfs/dbraw/zinc/43/38/82/556433882.db2.gz	PXYQXFSFOQUMCT-KRWDZBQOSA-N	1	1	354.454	2.410	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1	ZINC000368880958	556437685	/nfs/dbraw/zinc/43/76/85/556437685.db2.gz	WESXKVBVJMPAJT-QGZVFWFLSA-N	1	1	366.469	2.906	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1	ZINC000369105812	556506635	/nfs/dbraw/zinc/50/66/35/556506635.db2.gz	BACFIKSQFHGUJP-QGZVFWFLSA-N	1	1	355.486	2.380	20	30		FEEDMO
CCCN1CC[NH+](C2CCN(C(=O)c3ccc(C)c(C#N)c3)CC2)CC1	ZINC000369128933	556511892	/nfs/dbraw/zinc/51/18/92/556511892.db2.gz	ZKRFYFWIBSXJQI-UHFFFAOYSA-N	1	1	354.498	2.499	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)N(C)[C@H](C)CC#N)cc1	ZINC000369212411	556537544	/nfs/dbraw/zinc/53/75/44/556537544.db2.gz	BLNFQNKPCNGILH-ZIAGYGMSSA-N	1	1	361.471	2.310	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)n1	ZINC000369238861	556545564	/nfs/dbraw/zinc/54/55/64/556545564.db2.gz	SPMLBZZCADYQRQ-OALUTQOASA-N	1	1	369.469	2.061	20	30		FEEDMO
Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)cn1	ZINC000369284440	556564736	/nfs/dbraw/zinc/56/47/36/556564736.db2.gz	RDKDUYAZOHDDSV-HZPDHXFCSA-N	1	1	373.482	2.270	20	30		FEEDMO
Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c(F)c1	ZINC000369730631	556679516	/nfs/dbraw/zinc/67/95/16/556679516.db2.gz	QQIRTZKRIPEICR-CYBMUJFWSA-N	1	1	356.405	2.261	20	30		FEEDMO
C=CCC[C@H](C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000369956483	556741124	/nfs/dbraw/zinc/74/11/24/556741124.db2.gz	BZTBIEGWFYGIRJ-SFTDATJTSA-N	1	1	371.525	2.259	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1	ZINC000370213782	556812746	/nfs/dbraw/zinc/81/27/46/556812746.db2.gz	BXMIAYQNLUSGRE-HXUWFJFHSA-N	1	1	371.481	2.225	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000370237606	556819107	/nfs/dbraw/zinc/81/91/07/556819107.db2.gz	ZMNZJEPXAOLGAL-BRWVUGGUSA-N	1	1	372.494	2.200	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000370237606	556819110	/nfs/dbraw/zinc/81/91/10/556819110.db2.gz	ZMNZJEPXAOLGAL-BRWVUGGUSA-N	1	1	372.494	2.200	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cc1	ZINC000370293575	556831908	/nfs/dbraw/zinc/83/19/08/556831908.db2.gz	HCSMTYJOUZXCRC-JXFKEZNVSA-N	1	1	371.481	2.485	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cc1	ZINC000370293575	556831911	/nfs/dbraw/zinc/83/19/11/556831911.db2.gz	HCSMTYJOUZXCRC-JXFKEZNVSA-N	1	1	371.481	2.485	20	30		FEEDMO
C=CCN(C(=O)c1cc(C(N)=O)cn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000370327116	556840213	/nfs/dbraw/zinc/84/02/13/556840213.db2.gz	SURHSKPMYIXORE-SFHVURJKSA-N	1	1	366.465	2.027	20	30		FEEDMO
C[C@H](C(=O)N1CCCN(c2ccc(C#N)cc2)CC1)[NH+]1CCSCC1	ZINC000371015919	557045402	/nfs/dbraw/zinc/04/54/02/557045402.db2.gz	CBYSYQPUNUBMFN-MRXNPFEDSA-N	1	1	358.511	2.034	20	30		FEEDMO
C[NH+](C)[C@H](C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)c1ccccc1	ZINC000371322441	557145749	/nfs/dbraw/zinc/14/57/49/557145749.db2.gz	FRJNAXVEZANHJN-WVBUVRCRSA-N	1	1	374.444	2.161	20	30		FEEDMO
C[NH+](C)CCN1CCC(CNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1	ZINC000371514289	557206861	/nfs/dbraw/zinc/20/68/61/557206861.db2.gz	LWCZVESLGIWQTE-JOCHJYFZSA-N	1	1	368.525	2.075	20	30		FEEDMO
C=CCSCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1	ZINC000371739104	557279801	/nfs/dbraw/zinc/27/98/01/557279801.db2.gz	JJVZIWUEYSHJKN-ZBFHGGJFSA-N	1	1	351.520	2.021	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000372229635	557416266	/nfs/dbraw/zinc/41/62/66/557416266.db2.gz	XRSDOJDQDLGBNW-QVKFZJNVSA-N	1	1	360.417	2.361	20	30		FEEDMO
N#C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000372229635	557416268	/nfs/dbraw/zinc/41/62/68/557416268.db2.gz	XRSDOJDQDLGBNW-QVKFZJNVSA-N	1	1	360.417	2.361	20	30		FEEDMO
COC(=O)c1ccccc1CC[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000372469166	557478960	/nfs/dbraw/zinc/47/89/60/557478960.db2.gz	SINDJWPPHKLCCI-UHFFFAOYSA-N	1	1	364.449	2.495	20	30		FEEDMO
C=CCN(C(=O)C(=O)Nc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372643593	557528454	/nfs/dbraw/zinc/52/84/54/557528454.db2.gz	YSMDWQWOSZAXSO-LJQANCHMSA-N	1	1	364.449	2.309	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCc1ccc(C#N)cc1	ZINC000372653765	557530356	/nfs/dbraw/zinc/53/03/56/557530356.db2.gz	FTTFAKWSMRSVNF-MNEFBYGVSA-N	1	1	356.470	2.247	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1	ZINC000372945528	557594318	/nfs/dbraw/zinc/59/43/18/557594318.db2.gz	HULNXHHUWCGISR-UHFFFAOYSA-N	1	1	374.416	2.357	20	30		FEEDMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(F)c(C#N)c2Cl)CC1	ZINC000373014780	557610253	/nfs/dbraw/zinc/61/02/53/557610253.db2.gz	OWYFSRGERNLAGD-INIZCTEOSA-N	1	1	364.852	2.089	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(C)(C)C	ZINC000519825693	562145539	/nfs/dbraw/zinc/14/55/39/562145539.db2.gz	LKVJRHSSWKHGIX-UHFFFAOYSA-N	1	1	371.441	2.185	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000519838482	562146143	/nfs/dbraw/zinc/14/61/43/562146143.db2.gz	GVMFIFIEXRIPGE-QGZVFWFLSA-N	1	1	356.470	2.266	20	30		FEEDMO
CCn1c2ccc(F)cc2nc1C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373405073	557687891	/nfs/dbraw/zinc/68/78/91/557687891.db2.gz	SITPUHQDSBTQMP-UHFFFAOYSA-N	1	1	353.405	2.496	20	30		FEEDMO
Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(C#N)s3)CC2)[nH+]c1	ZINC000373742181	557749214	/nfs/dbraw/zinc/74/92/14/557749214.db2.gz	DGJPDGQTNNLNGS-UHFFFAOYSA-N	1	1	362.480	2.271	20	30		FEEDMO
C#CCC1(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)CCCCC1	ZINC000373762573	557753885	/nfs/dbraw/zinc/75/38/85/557753885.db2.gz	IMPGCSYRQATPPV-UHFFFAOYSA-N	1	1	359.514	2.163	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000374066897	557817235	/nfs/dbraw/zinc/81/72/35/557817235.db2.gz	QSRRALRCINBIBS-CVEARBPZSA-N	1	1	364.490	2.222	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000374066897	557817236	/nfs/dbraw/zinc/81/72/36/557817236.db2.gz	QSRRALRCINBIBS-CVEARBPZSA-N	1	1	364.490	2.222	20	30		FEEDMO
N#Cc1cccc(CCNC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c1	ZINC000374100113	557823321	/nfs/dbraw/zinc/82/33/21/557823321.db2.gz	CRCSDGVRNQTLHL-NRFANRHFSA-N	1	1	363.461	2.415	20	30		FEEDMO
Cn1cc([C@@H]2[C@@H](CNC(=O)NCC3CCC(C#N)CC3)CCC[N@H+]2C)cn1	ZINC000374143363	557831283	/nfs/dbraw/zinc/83/12/83/557831283.db2.gz	MCFKPNQRZKXBGI-WXVPWVKJSA-N	1	1	372.517	2.432	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1	ZINC000374161663	557834295	/nfs/dbraw/zinc/83/42/95/557834295.db2.gz	KJEYKEZMDQDHKE-XUVXKRRUSA-N	1	1	350.418	2.480	20	30		FEEDMO
CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1	ZINC000375019329	557965212	/nfs/dbraw/zinc/96/52/12/557965212.db2.gz	VNQSDWFUSVFBNR-GOSISDBHSA-N	1	1	355.486	2.619	20	30		FEEDMO
CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2cccc(Br)c2)C1	ZINC000375234022	557996210	/nfs/dbraw/zinc/99/62/10/557996210.db2.gz	OPDQUJHVLZFJKZ-CABCVRRESA-N	1	1	366.259	2.239	20	30		FEEDMO
CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H](C#N)c2cccc(Br)c2)C1	ZINC000375234022	557996211	/nfs/dbraw/zinc/99/62/11/557996211.db2.gz	OPDQUJHVLZFJKZ-CABCVRRESA-N	1	1	366.259	2.239	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1	ZINC000375294938	558005337	/nfs/dbraw/zinc/00/53/37/558005337.db2.gz	ZQKPLUJUYPVNFG-AWEZNQCLSA-N	1	1	350.413	2.237	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)C1	ZINC000375694215	558068729	/nfs/dbraw/zinc/06/87/29/558068729.db2.gz	WIDOGODAMUYIBV-WOJBJXKFSA-N	1	1	354.498	2.312	20	30		FEEDMO
CCC[N@H+]1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000376156142	558134466	/nfs/dbraw/zinc/13/44/66/558134466.db2.gz	HBDIZIVTTYPGNX-KRWDZBQOSA-N	1	1	358.461	2.468	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C[N@H+]1C1CC1	ZINC000376220073	558143480	/nfs/dbraw/zinc/14/34/80/558143480.db2.gz	HTHWBDYVSYYHTN-FVQBIDKESA-N	1	1	356.445	2.265	20	30		FEEDMO
Cc1cc(=NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)[nH]n1CCC#N	ZINC000376402929	558169003	/nfs/dbraw/zinc/16/90/03/558169003.db2.gz	WQSAFAFQHRITOR-AEFFLSMTSA-N	1	1	370.432	2.811	20	30		FEEDMO
Cc1cc(=NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)[nH]n1CCC#N	ZINC000376402929	558169004	/nfs/dbraw/zinc/16/90/04/558169004.db2.gz	WQSAFAFQHRITOR-AEFFLSMTSA-N	1	1	370.432	2.811	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1	ZINC000376641019	558201883	/nfs/dbraw/zinc/20/18/83/558201883.db2.gz	IHRYGACNCMRLOC-PXNSSMCTSA-N	1	1	374.529	2.155	20	30		FEEDMO
C[N@H+]1CC[C@H](CNC(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)C1	ZINC000376640489	558201900	/nfs/dbraw/zinc/20/19/00/558201900.db2.gz	IHIZJCDVPNPJGZ-CYBMUJFWSA-N	1	1	362.424	2.121	20	30		FEEDMO
Cc1cccc(C[NH+]2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)c1	ZINC000521820943	562184076	/nfs/dbraw/zinc/18/40/76/562184076.db2.gz	HAOGLGPWRFFMJA-UHFFFAOYSA-N	1	1	362.477	2.301	20	30		FEEDMO
C#CCC(CC#C)C(=O)N(C)[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000376982283	558247814	/nfs/dbraw/zinc/24/78/14/558247814.db2.gz	ZJVGEVKSMXOCKG-GHTZIAJQSA-N	1	1	352.478	2.397	20	30		FEEDMO
C#CCC(CC#C)C(=O)N(C)[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000376982283	558247815	/nfs/dbraw/zinc/24/78/15/558247815.db2.gz	ZJVGEVKSMXOCKG-GHTZIAJQSA-N	1	1	352.478	2.397	20	30		FEEDMO
C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1	ZINC000377212446	558290029	/nfs/dbraw/zinc/29/00/29/558290029.db2.gz	KVGUXIMLXHDZDY-UHFFFAOYSA-N	1	1	373.416	2.176	20	30		FEEDMO
CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)NCC(C)(C)CCC#N)C1	ZINC000377259278	558300164	/nfs/dbraw/zinc/30/01/64/558300164.db2.gz	KSECGXAXYNEQSZ-UHFFFAOYSA-N	1	1	356.470	2.449	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000377443320	558341654	/nfs/dbraw/zinc/34/16/54/558341654.db2.gz	SFTMQGPOIQWRRC-QFBILLFUSA-N	1	1	370.497	2.286	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](Cc2cnc(C3OCCO3)s2)CC1	ZINC000377705152	558401284	/nfs/dbraw/zinc/40/12/84/558401284.db2.gz	SOAAHAMEIWGLLP-UHFFFAOYSA-N	1	1	371.466	2.167	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+](Cc2cnc(C3OCCO3)s2)CC1	ZINC000377705152	558401286	/nfs/dbraw/zinc/40/12/86/558401286.db2.gz	SOAAHAMEIWGLLP-UHFFFAOYSA-N	1	1	371.466	2.167	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000522890148	562205645	/nfs/dbraw/zinc/20/56/45/562205645.db2.gz	OKECFUJCTIVSFT-RDJZCZTQSA-N	1	1	359.470	2.304	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@H]21	ZINC000378459778	558562664	/nfs/dbraw/zinc/56/26/64/558562664.db2.gz	ZPPHWSBYPUINRI-SMDDNHRTSA-N	1	1	373.400	2.292	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000523581072	562215563	/nfs/dbraw/zinc/21/55/63/562215563.db2.gz	ICYHDZVCWXTJCZ-FQEVSTJZSA-N	1	1	369.513	2.260	20	30		FEEDMO
CCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000523607393	562215809	/nfs/dbraw/zinc/21/58/09/562215809.db2.gz	XIJMOINCYXXOBE-TXPKVOOTSA-N	1	1	350.507	2.058	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@](O)(c4ccc(F)cc4)C3)C2=O)cc1	ZINC000378514608	558573058	/nfs/dbraw/zinc/57/30/58/558573058.db2.gz	FZVSPBCWDQCMEP-CTNGQTDRSA-N	1	1	365.408	2.396	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@](O)(c4ccc(F)cc4)C3)C2=O)cc1	ZINC000378514608	558573062	/nfs/dbraw/zinc/57/30/62/558573062.db2.gz	FZVSPBCWDQCMEP-CTNGQTDRSA-N	1	1	365.408	2.396	20	30		FEEDMO
C=CCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C	ZINC000378559773	558583001	/nfs/dbraw/zinc/58/30/01/558583001.db2.gz	LVAQSRVMPYZUGO-CZUORRHYSA-N	1	1	352.504	2.164	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)C1(C#N)CCCCC1	ZINC000408129714	558649606	/nfs/dbraw/zinc/64/96/06/558649606.db2.gz	BDHRVTSVOYOUJN-KRWDZBQOSA-N	1	1	360.502	2.006	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC	ZINC000409575714	558704554	/nfs/dbraw/zinc/70/45/54/558704554.db2.gz	KXWYUZMHLSNJGI-HOCLYGCPSA-N	1	1	372.560	2.447	20	30		FEEDMO
CC[N@@H+](CCC1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1)CC1CC1	ZINC000409888481	558724782	/nfs/dbraw/zinc/72/47/82/558724782.db2.gz	BHXFMFJIQBMXLM-OAHLLOKOSA-N	1	1	358.490	2.071	20	30		FEEDMO
CCC[C@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC[N@H+]1Cc1ccccc1	ZINC000409901394	558726224	/nfs/dbraw/zinc/72/62/24/558726224.db2.gz	NHHIZIUQVWUYCU-WMZOPIPTSA-N	1	1	366.469	2.224	20	30		FEEDMO
C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F	ZINC000411196474	558851896	/nfs/dbraw/zinc/85/18/96/558851896.db2.gz	UODYVBZVWDTSRC-LBPRGKRZSA-N	1	1	368.359	2.323	20	30		FEEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F	ZINC000411196474	558851897	/nfs/dbraw/zinc/85/18/97/558851897.db2.gz	UODYVBZVWDTSRC-LBPRGKRZSA-N	1	1	368.359	2.323	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F	ZINC000411645007	558935242	/nfs/dbraw/zinc/93/52/42/558935242.db2.gz	SAHIKWXEKWIULH-AWEZNQCLSA-N	1	1	350.438	2.302	20	30		FEEDMO
C=CCN(C)CC[N@H+](CC)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F	ZINC000411645007	558935244	/nfs/dbraw/zinc/93/52/44/558935244.db2.gz	SAHIKWXEKWIULH-AWEZNQCLSA-N	1	1	350.438	2.302	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC[N@H+]1C	ZINC000525852782	562257350	/nfs/dbraw/zinc/25/73/50/562257350.db2.gz	CJQMHLVUVFWMDQ-VNCIIQTRSA-N	1	1	371.485	2.425	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C	ZINC000413840425	559134089	/nfs/dbraw/zinc/13/40/89/559134089.db2.gz	VFJNEBNKMJWGOY-IEBWSBKVSA-N	1	1	373.497	2.453	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C	ZINC000413840425	559134091	/nfs/dbraw/zinc/13/40/91/559134091.db2.gz	VFJNEBNKMJWGOY-IEBWSBKVSA-N	1	1	373.497	2.453	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)c1	ZINC000414551521	559171117	/nfs/dbraw/zinc/17/11/17/559171117.db2.gz	BNIMPCQPZNETME-TZIWHRDSSA-N	1	1	352.434	2.312	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCCCOc1cccc(C#N)c1	ZINC000416287857	559302403	/nfs/dbraw/zinc/30/24/03/559302403.db2.gz	CJKJGUORVAZELG-DLBZAZTESA-N	1	1	359.470	2.021	20	30		FEEDMO
C=C(C)CS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000416608918	559324905	/nfs/dbraw/zinc/32/49/05/559324905.db2.gz	TUDMQKJUVOYYEU-QZTJIDSGSA-N	1	1	352.500	2.019	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c(C#N)cc1N(C)C	ZINC000417125738	559349031	/nfs/dbraw/zinc/34/90/31/559349031.db2.gz	BXIGUYFQVFONAG-HNNXBMFYSA-N	1	1	373.501	2.242	20	30		FEEDMO
Cc1cc(NC(=O)NC2CC[NH+](CCN(C)C)CC2)c(C#N)cc1N(C)C	ZINC000417130918	559349190	/nfs/dbraw/zinc/34/91/90/559349190.db2.gz	PRUBQTPPCRYJSH-UHFFFAOYSA-N	1	1	372.517	2.080	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)cc1	ZINC000418612977	559407914	/nfs/dbraw/zinc/40/79/14/559407914.db2.gz	FIRIMJZCRLURNG-HXUWFJFHSA-N	1	1	369.513	2.293	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)NCC2(C#N)CCC2)[C@H](c2ccccc2)C1	ZINC000419417601	559441154	/nfs/dbraw/zinc/44/11/54/559441154.db2.gz	HWPPCAQSFARGTF-IBGZPJMESA-N	1	1	369.513	2.358	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)NCC2(C#N)CCC2)[C@H](c2ccccc2)C1	ZINC000419417601	559441155	/nfs/dbraw/zinc/44/11/55/559441155.db2.gz	HWPPCAQSFARGTF-IBGZPJMESA-N	1	1	369.513	2.358	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)NCC2(C#N)CCC2)[C@H](c2ccccc2)C1	ZINC000419417601	559441156	/nfs/dbraw/zinc/44/11/56/559441156.db2.gz	HWPPCAQSFARGTF-IBGZPJMESA-N	1	1	369.513	2.358	20	30		FEEDMO
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO	ZINC000419604952	559449615	/nfs/dbraw/zinc/44/96/15/559449615.db2.gz	CZJHYIPUSGZYEV-HKUYNNGSSA-N	1	1	356.470	2.082	20	30		FEEDMO
CNC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	ZINC000420976567	559516015	/nfs/dbraw/zinc/51/60/15/559516015.db2.gz	PKZDKDBBVZUHGR-KBPBESRZSA-N	1	1	360.483	2.087	20	30		FEEDMO
CNC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	ZINC000420976567	559516016	/nfs/dbraw/zinc/51/60/16/559516016.db2.gz	PKZDKDBBVZUHGR-KBPBESRZSA-N	1	1	360.483	2.087	20	30		FEEDMO
CNC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000420980064	559516918	/nfs/dbraw/zinc/51/69/18/559516918.db2.gz	UBBGQGUJJVUUIZ-QWHCGFSZSA-N	1	1	374.510	2.284	20	30		FEEDMO
CNC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000420980064	559516919	/nfs/dbraw/zinc/51/69/19/559516919.db2.gz	UBBGQGUJJVUUIZ-QWHCGFSZSA-N	1	1	374.510	2.284	20	30		FEEDMO
C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000421021535	559520118	/nfs/dbraw/zinc/52/01/18/559520118.db2.gz	OKELNXRGVBUYDF-QAPCUYQASA-N	1	1	371.481	2.474	20	30		FEEDMO
C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000421021535	559520119	/nfs/dbraw/zinc/52/01/19/559520119.db2.gz	OKELNXRGVBUYDF-QAPCUYQASA-N	1	1	371.481	2.474	20	30		FEEDMO
C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000421021534	559520317	/nfs/dbraw/zinc/52/03/17/559520317.db2.gz	OKELNXRGVBUYDF-MAUKXSAKSA-N	1	1	371.481	2.474	20	30		FEEDMO
C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000421021534	559520318	/nfs/dbraw/zinc/52/03/18/559520318.db2.gz	OKELNXRGVBUYDF-MAUKXSAKSA-N	1	1	371.481	2.474	20	30		FEEDMO
C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc(C#N)c(F)c2)cc1	ZINC000421346890	559539866	/nfs/dbraw/zinc/53/98/66/559539866.db2.gz	ZZZJRMPAUOGLAF-UHFFFAOYSA-N	1	1	354.429	2.279	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)CCC#N	ZINC000421392782	559541052	/nfs/dbraw/zinc/54/10/52/559541052.db2.gz	VLPCMPBTLBUFAX-UHFFFAOYSA-N	1	1	368.459	2.135	20	30		FEEDMO
C=CCn1cc(C[NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)nn1	ZINC000424174004	559656680	/nfs/dbraw/zinc/65/66/80/559656680.db2.gz	QQJAJYXMONSWIG-UHFFFAOYSA-N	1	1	356.382	2.295	20	30		FEEDMO
COCC[N@@H+](C)CCOc1cccc(CNc2cc(C)ncc2C#N)c1	ZINC000425224759	559692281	/nfs/dbraw/zinc/69/22/81/559692281.db2.gz	LGJIXSBJUINDDR-UHFFFAOYSA-N	1	1	354.454	2.253	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](c2ccccc2)C1	ZINC000425409187	559700602	/nfs/dbraw/zinc/70/06/02/559700602.db2.gz	ADFZLFBJZYRJOF-DFQSSKMNSA-N	1	1	369.513	2.357	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](c2ccccc2)C1	ZINC000425409187	559700603	/nfs/dbraw/zinc/70/06/03/559700603.db2.gz	ADFZLFBJZYRJOF-DFQSSKMNSA-N	1	1	369.513	2.357	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H](c2ccccc2)C1	ZINC000425409187	559700604	/nfs/dbraw/zinc/70/06/04/559700604.db2.gz	ADFZLFBJZYRJOF-DFQSSKMNSA-N	1	1	369.513	2.357	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nn1	ZINC000425435621	559702094	/nfs/dbraw/zinc/70/20/94/559702094.db2.gz	TXWAXUKSEBGATD-OAHLLOKOSA-N	1	1	374.514	2.237	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425500124	559705933	/nfs/dbraw/zinc/70/59/33/559705933.db2.gz	LEYIDSWJPJCARK-QKNQBKEWSA-N	1	1	354.498	2.247	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NCCCN1CCCCCC1=O	ZINC000425541813	559708737	/nfs/dbraw/zinc/70/87/37/559708737.db2.gz	XHSUXPDLQOBMDF-QGZVFWFLSA-N	1	1	370.497	2.460	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NCCCN1CCCCCC1=O	ZINC000425541813	559708738	/nfs/dbraw/zinc/70/87/38/559708738.db2.gz	XHSUXPDLQOBMDF-QGZVFWFLSA-N	1	1	370.497	2.460	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000425547031	559708951	/nfs/dbraw/zinc/70/89/51/559708951.db2.gz	WWNUUXFAOFNTEW-YLJYHZDGSA-N	1	1	372.513	2.024	20	30		FEEDMO
COC(=O)[C@]1(c2ccccc2)CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000428788841	559783279	/nfs/dbraw/zinc/78/32/79/559783279.db2.gz	SJBGTQCPNNYTHF-OAQYLSRUSA-N	1	1	369.465	2.146	20	30		FEEDMO
COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000428788841	559783280	/nfs/dbraw/zinc/78/32/80/559783280.db2.gz	SJBGTQCPNNYTHF-OAQYLSRUSA-N	1	1	369.465	2.146	20	30		FEEDMO
COC(=O)c1ccccc1CC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428790215	559783620	/nfs/dbraw/zinc/78/36/20/559783620.db2.gz	QNDDMGDZRHHGNS-KRWDZBQOSA-N	1	1	351.406	2.436	20	30		FEEDMO
CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428823243	559784239	/nfs/dbraw/zinc/78/42/39/559784239.db2.gz	XEBZLSINJPTTCP-IBGZPJMESA-N	1	1	364.449	2.455	20	30		FEEDMO
CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428823243	559784240	/nfs/dbraw/zinc/78/42/40/559784240.db2.gz	XEBZLSINJPTTCP-IBGZPJMESA-N	1	1	364.449	2.455	20	30		FEEDMO
C=CCC(C)(C)CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1	ZINC000432076840	559851368	/nfs/dbraw/zinc/85/13/68/559851368.db2.gz	MMLOKECDMPYTJW-QGZVFWFLSA-N	1	1	359.518	2.494	20	30		FEEDMO
C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000433014124	559869982	/nfs/dbraw/zinc/86/99/82/559869982.db2.gz	QXNGAORYIYJABP-LLVKDONJSA-N	1	1	372.288	2.035	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000433014124	559869983	/nfs/dbraw/zinc/86/99/83/559869983.db2.gz	QXNGAORYIYJABP-LLVKDONJSA-N	1	1	372.288	2.035	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c(-c2ccncc2)n1	ZINC000435135834	559916844	/nfs/dbraw/zinc/91/68/44/559916844.db2.gz	VJOKZTQUPIVVTL-INIZCTEOSA-N	1	1	366.469	2.336	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1	ZINC000438442200	559979199	/nfs/dbraw/zinc/97/91/99/559979199.db2.gz	JDTPDKMZXJLMQA-BZSNNMDCSA-N	1	1	353.507	2.110	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C	ZINC000439419121	559993507	/nfs/dbraw/zinc/99/35/07/559993507.db2.gz	FDVDHLCMNCNLJH-KRWDZBQOSA-N	1	1	356.470	2.432	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000439433851	559993747	/nfs/dbraw/zinc/99/37/47/559993747.db2.gz	BKIGEERMZRAUHG-HNNXBMFYSA-N	1	1	360.433	2.263	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@](COC)(C(=O)OCC)C1	ZINC000439479464	559995024	/nfs/dbraw/zinc/99/50/24/559995024.db2.gz	SKDZLXDUEBXRPX-QFBILLFUSA-N	1	1	354.491	2.091	20	30		FEEDMO
CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@@H+](CCOc2ccc(C#N)cc2)C1	ZINC000440489908	560012065	/nfs/dbraw/zinc/01/20/65/560012065.db2.gz	GIBUIRZFJJVGSI-FQEVSTJZSA-N	1	1	359.470	2.333	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(C(F)(F)F)n[nH]3)C2=O)cc1	ZINC000440627854	560015073	/nfs/dbraw/zinc/01/50/73/560015073.db2.gz	JAHKIUWXYLDIRM-CQSZACIVSA-N	1	1	363.343	2.191	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1	ZINC000443368520	560082372	/nfs/dbraw/zinc/08/23/72/560082372.db2.gz	JMSWYZXUEGSDBK-ZBFHGGJFSA-N	1	1	372.469	2.227	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1	ZINC000444732887	560119169	/nfs/dbraw/zinc/11/91/69/560119169.db2.gz	WVTZJYZIJPKDCG-RDBSUJKOSA-N	1	1	361.408	2.353	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1	ZINC000444732887	560119170	/nfs/dbraw/zinc/11/91/70/560119170.db2.gz	WVTZJYZIJPKDCG-RDBSUJKOSA-N	1	1	361.408	2.353	20	30		FEEDMO
Cc1cc(C[N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)ccc1F	ZINC000444739169	560119323	/nfs/dbraw/zinc/11/93/23/560119323.db2.gz	VHLITKYUMGPIBJ-IBGZPJMESA-N	1	1	360.477	2.258	20	30		FEEDMO
Cc1cc(C[N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)ccc1F	ZINC000444739169	560119324	/nfs/dbraw/zinc/11/93/24/560119324.db2.gz	VHLITKYUMGPIBJ-IBGZPJMESA-N	1	1	360.477	2.258	20	30		FEEDMO
C=CC[C@@H]1N(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCCC1(C)C	ZINC000445153251	560129961	/nfs/dbraw/zinc/12/99/61/560129961.db2.gz	SOAQNYLZEILHEF-SJORKVTESA-N	1	1	364.534	2.350	20	30		FEEDMO
C[C@H]1[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCC[N@H+]1C	ZINC000446629704	560148841	/nfs/dbraw/zinc/14/88/41/560148841.db2.gz	VXXUCUGMCMINHH-KUQKPQIMSA-N	1	1	371.485	2.425	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1	ZINC000448323471	560184529	/nfs/dbraw/zinc/18/45/29/560184529.db2.gz	XVOWJPUIQXZCNJ-QGZVFWFLSA-N	1	1	359.470	2.427	20	30		FEEDMO
CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000448763074	560198167	/nfs/dbraw/zinc/19/81/67/560198167.db2.gz	MVKMQBGCTQILGQ-HIFRSBDPSA-N	1	1	374.872	2.023	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000448982115	560210157	/nfs/dbraw/zinc/21/01/57/560210157.db2.gz	WIUVMTRLOOCMMK-UKRRQHHQSA-N	1	1	374.872	2.117	20	30		FEEDMO
N#Cc1ccnc(NCCC[NH+]2CCN(c3ccccc3Cl)CC2)n1	ZINC000450277680	560256755	/nfs/dbraw/zinc/25/67/55/560256755.db2.gz	PVAXPEHVZMRJDN-UHFFFAOYSA-N	1	1	356.861	2.626	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO	ZINC000450519286	560264932	/nfs/dbraw/zinc/26/49/32/560264932.db2.gz	MBXCITCUHCYVAU-SFHVURJKSA-N	1	1	352.438	2.082	20	30		FEEDMO
C[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](CO)c1ccc(Cl)cc1	ZINC000451329403	560300433	/nfs/dbraw/zinc/30/04/33/560300433.db2.gz	KGLXCVMGZIIJSU-GOSISDBHSA-N	1	1	357.841	2.493	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](CO)c1ccc(Cl)cc1	ZINC000451329403	560300434	/nfs/dbraw/zinc/30/04/34/560300434.db2.gz	KGLXCVMGZIIJSU-GOSISDBHSA-N	1	1	357.841	2.493	20	30		FEEDMO
COC[C@]1(CO)CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1	ZINC000451927392	560338240	/nfs/dbraw/zinc/33/82/40/560338240.db2.gz	NFEAVYLTQVVPCQ-HXUWFJFHSA-N	1	1	355.438	2.068	20	30		FEEDMO
COC[C@]1(CO)CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1	ZINC000451927392	560338241	/nfs/dbraw/zinc/33/82/41/560338241.db2.gz	NFEAVYLTQVVPCQ-HXUWFJFHSA-N	1	1	355.438	2.068	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C[C@H]1c1ccccc1	ZINC000452000820	560344275	/nfs/dbraw/zinc/34/42/75/560344275.db2.gz	ZTRWFCKVDWWGOY-LNNXQNCSSA-N	1	1	371.481	2.318	20	30		FEEDMO
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[NH+](CCOC(C)C)CC1	ZINC000453472447	560387745	/nfs/dbraw/zinc/38/77/45/560387745.db2.gz	XJUAJCOFWQPQOR-QGZVFWFLSA-N	1	1	363.506	2.253	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)c1ccco1	ZINC000453569082	560389040	/nfs/dbraw/zinc/38/90/40/560389040.db2.gz	CFEMKBXRFIZUJN-HNNXBMFYSA-N	1	1	374.828	2.357	20	30		FEEDMO
N#CCc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)c(Cl)c1	ZINC000453654636	560393870	/nfs/dbraw/zinc/39/38/70/560393870.db2.gz	WEMDIEIMRQDWJR-UHFFFAOYSA-N	1	1	360.845	2.041	20	30		FEEDMO
C=CC(C)(C)CNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000454611835	560451321	/nfs/dbraw/zinc/45/13/21/560451321.db2.gz	HLORWJLLWCWYHQ-UHFFFAOYSA-N	1	1	374.485	2.417	20	30		FEEDMO
C=CCC1(CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCCC1	ZINC000454645363	560452805	/nfs/dbraw/zinc/45/28/05/560452805.db2.gz	IBYMAMHFKMYHPU-QGZVFWFLSA-N	1	1	364.534	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(CCC[N@H+](C)CCOC)CC1	ZINC000455407061	560481043	/nfs/dbraw/zinc/48/10/43/560481043.db2.gz	LWMDGCBUXLZPBP-MSOLQXFVSA-N	1	1	353.507	2.110	20	30		FEEDMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]1C	ZINC000455696916	560492200	/nfs/dbraw/zinc/49/22/00/560492200.db2.gz	DEJGTIZMFIYEJO-QWHCGFSZSA-N	1	1	350.850	2.325	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]1C	ZINC000455696916	560492201	/nfs/dbraw/zinc/49/22/01/560492201.db2.gz	DEJGTIZMFIYEJO-QWHCGFSZSA-N	1	1	350.850	2.325	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCNC(=O)Nc2cnc(C#N)c(Cl)c2)C[C@H](C)O1	ZINC000455751924	560493798	/nfs/dbraw/zinc/49/37/98/560493798.db2.gz	IKAQWIQBHBOMFO-TXEJJXNPSA-N	1	1	351.838	2.227	20	30		FEEDMO
CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H](C#N)CCc2ccccc2)CC1	ZINC000456886571	560535681	/nfs/dbraw/zinc/53/56/81/560535681.db2.gz	UMMNZPIDTOBEHS-LJQANCHMSA-N	1	1	356.514	2.291	20	30		FEEDMO
C[C@H]1CC[C@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)O1	ZINC000459171342	560672062	/nfs/dbraw/zinc/67/20/62/560672062.db2.gz	QDZYRYDYRDDLNL-QFBILLFUSA-N	1	1	356.470	2.343	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000459258827	560676525	/nfs/dbraw/zinc/67/65/25/560676525.db2.gz	MPJPTQNQJITZHA-UHFFFAOYSA-N	1	1	364.412	2.222	20	30		FEEDMO
N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCCOc1ccc(C(F)(F)F)cc1	ZINC000459469956	560688203	/nfs/dbraw/zinc/68/82/03/560688203.db2.gz	SVRCLDHEAHDNLC-SWLSCSKDSA-N	1	1	355.360	2.482	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000459817787	560710609	/nfs/dbraw/zinc/71/06/09/560710609.db2.gz	NHTBEYFITGNADJ-QFIPXVFZSA-N	1	1	367.493	2.312	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000459818682	560710614	/nfs/dbraw/zinc/71/06/14/560710614.db2.gz	RBMTVKREQAICFM-WOJBJXKFSA-N	1	1	367.493	2.168	20	30		FEEDMO
CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000460054002	560731943	/nfs/dbraw/zinc/73/19/43/560731943.db2.gz	MXAUTOMCQABTHN-ZHALLVOQSA-N	1	1	370.497	2.288	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C	ZINC000460953770	560757056	/nfs/dbraw/zinc/75/70/56/560757056.db2.gz	ULLGHPMSLSEOGC-HZPDHXFCSA-N	1	1	362.522	2.159	20	30		FEEDMO
N#C[C@H]1CCC[C@@H]1NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000461953951	560789489	/nfs/dbraw/zinc/78/94/89/560789489.db2.gz	CLBBNQIBTOUBMC-MOPGFXCFSA-N	1	1	371.485	2.008	20	30		FEEDMO
CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCOC1	ZINC000463440899	560814776	/nfs/dbraw/zinc/81/47/76/560814776.db2.gz	GYNPXQIYVRJKBP-INIZCTEOSA-N	1	1	354.372	2.284	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000464333817	560838987	/nfs/dbraw/zinc/83/89/87/560838987.db2.gz	KPZLNOFNOXRBQA-KRWDZBQOSA-N	1	1	357.454	2.326	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000466761541	560894807	/nfs/dbraw/zinc/89/48/07/560894807.db2.gz	DFTFNROLNIUTIJ-KDOFPFPSSA-N	1	1	371.460	2.012	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NCCNc1cccc(C)[nH+]1	ZINC000469599990	560959449	/nfs/dbraw/zinc/95/94/49/560959449.db2.gz	BZYAHASGVBSZQE-UHFFFAOYSA-N	1	1	354.458	2.278	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1	ZINC000470361061	560979333	/nfs/dbraw/zinc/97/93/33/560979333.db2.gz	IQVZMVTZKGMGTR-HKUYNNGSSA-N	1	1	370.497	2.279	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1	ZINC000470361061	560979334	/nfs/dbraw/zinc/97/93/34/560979334.db2.gz	IQVZMVTZKGMGTR-HKUYNNGSSA-N	1	1	370.497	2.279	20	30		FEEDMO
N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)cc1	ZINC000471149111	560999286	/nfs/dbraw/zinc/99/92/86/560999286.db2.gz	YTVLWTGFHBIQLA-SFHVURJKSA-N	1	1	355.463	2.478	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc(OC)cc1OC)C(C)(C)C	ZINC000474155867	561067042	/nfs/dbraw/zinc/06/70/42/561067042.db2.gz	DENDZZMHEDNEEK-UHFFFAOYSA-N	1	1	363.458	2.316	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc(OC)cc1OC)C(C)(C)C	ZINC000474155867	561067043	/nfs/dbraw/zinc/06/70/43/561067043.db2.gz	DENDZZMHEDNEEK-UHFFFAOYSA-N	1	1	363.458	2.316	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)cc1	ZINC000475679216	561102191	/nfs/dbraw/zinc/10/21/91/561102191.db2.gz	LEVLMZFUAWOFPR-IRLDBZIGSA-N	1	1	366.461	2.368	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)C2)nc1	ZINC000528294610	562321410	/nfs/dbraw/zinc/32/14/10/562321410.db2.gz	LLSBXIWRADXJOA-ZWKOTPCHSA-N	1	1	369.469	2.133	20	30		FEEDMO
Cc1nccc([C@H]2CCC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)n1	ZINC000528357936	562324550	/nfs/dbraw/zinc/32/45/50/562324550.db2.gz	WIXYARFRFYNMED-KRWDZBQOSA-N	1	1	374.444	2.264	20	30		FEEDMO
Cc1nccc([C@H]2CCC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)n1	ZINC000528357936	562324551	/nfs/dbraw/zinc/32/45/51/562324551.db2.gz	WIXYARFRFYNMED-KRWDZBQOSA-N	1	1	374.444	2.264	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](Cc2ccncc2)C1	ZINC000528442915	562329501	/nfs/dbraw/zinc/32/95/01/562329501.db2.gz	NAAKFICJEOZYPJ-GOSISDBHSA-N	1	1	359.429	2.246	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1	ZINC000528473860	562330986	/nfs/dbraw/zinc/33/09/86/562330986.db2.gz	IXUZCVFEEXFMGD-INIZCTEOSA-N	1	1	351.447	2.383	20	30		FEEDMO
N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1	ZINC000528490069	562331948	/nfs/dbraw/zinc/33/19/48/562331948.db2.gz	PPNNAGRRZVZVIB-QZTJIDSGSA-N	1	1	363.889	2.188	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1	ZINC000528517844	562333655	/nfs/dbraw/zinc/33/36/55/562333655.db2.gz	PHYPUCWBCQZWMC-SFHLNBCPSA-N	1	1	370.424	2.098	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1	ZINC000528517844	562333656	/nfs/dbraw/zinc/33/36/56/562333656.db2.gz	PHYPUCWBCQZWMC-SFHLNBCPSA-N	1	1	370.424	2.098	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)C2=O)cc1	ZINC000528785656	562347713	/nfs/dbraw/zinc/34/77/13/562347713.db2.gz	SZQDDFRFEKWSQP-YPDQXUDRSA-N	1	1	357.479	2.039	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@H]4CC[C@@H](C3)[S@@]4=O)C2=O)cc1	ZINC000528785656	562347714	/nfs/dbraw/zinc/34/77/14/562347714.db2.gz	SZQDDFRFEKWSQP-YPDQXUDRSA-N	1	1	357.479	2.039	20	30		FEEDMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)C2(C#N)CC(C)C2)c1	ZINC000531817464	562457615	/nfs/dbraw/zinc/45/76/15/562457615.db2.gz	KHPXXOJVPYIKMQ-UHFFFAOYSA-N	1	1	359.470	2.200	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000532438040	562478034	/nfs/dbraw/zinc/47/80/34/562478034.db2.gz	GDQVRMWUVMRQJR-WBVHZDCISA-N	1	1	358.442	2.332	20	30		FEEDMO
CC(C)(O)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CCOCC1	ZINC000533345433	562506008	/nfs/dbraw/zinc/50/60/08/562506008.db2.gz	QEBYMYZCGNJPHC-UHFFFAOYSA-N	1	1	365.861	2.402	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1	ZINC000533451827	562509421	/nfs/dbraw/zinc/50/94/21/562509421.db2.gz	FXVWCZIKYHIUQC-YOEHRIQHSA-N	1	1	363.458	2.335	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1	ZINC000534355239	562532573	/nfs/dbraw/zinc/53/25/73/562532573.db2.gz	PLIBQRMBMFNYRQ-OAQYLSRUSA-N	1	1	363.461	2.448	20	30		FEEDMO
CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000534359261	562532613	/nfs/dbraw/zinc/53/26/13/562532613.db2.gz	HCBQSBPDICDUDK-RBUKOAKNSA-N	1	1	357.502	2.296	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000534862526	562544213	/nfs/dbraw/zinc/54/42/13/562544213.db2.gz	OHCPOOOLOHUZMJ-MAUKXSAKSA-N	1	1	372.444	2.158	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000534862526	562544214	/nfs/dbraw/zinc/54/42/14/562544214.db2.gz	OHCPOOOLOHUZMJ-MAUKXSAKSA-N	1	1	372.444	2.158	20	30		FEEDMO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)s1	ZINC000536433236	562575354	/nfs/dbraw/zinc/57/53/54/562575354.db2.gz	MGQYKVHEPCIAMS-NVXWUHKLSA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)s1	ZINC000536433236	562575355	/nfs/dbraw/zinc/57/53/55/562575355.db2.gz	MGQYKVHEPCIAMS-NVXWUHKLSA-N	1	1	355.463	2.233	20	30		FEEDMO
N#CCC1CC[NH+](CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1	ZINC000541023035	562600646	/nfs/dbraw/zinc/60/06/46/562600646.db2.gz	KZQYFERCZHSNPP-UHFFFAOYSA-N	1	1	356.470	2.083	20	30		FEEDMO
CC(C)[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000602243800	567958970	/nfs/dbraw/zinc/95/89/70/567958970.db2.gz	CBXGQNFVJJAICJ-IBGZPJMESA-N	1	1	370.497	2.165	20	30		FEEDMO
CC(C)[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CC[N@H+]1Cc1ccccc1	ZINC000602243800	567958971	/nfs/dbraw/zinc/95/89/71/567958971.db2.gz	CBXGQNFVJJAICJ-IBGZPJMESA-N	1	1	370.497	2.165	20	30		FEEDMO
CC(C)[C@H]1CN(C(=O)C(=O)NCCCCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000602243801	567958978	/nfs/dbraw/zinc/95/89/78/567958978.db2.gz	CBXGQNFVJJAICJ-LJQANCHMSA-N	1	1	370.497	2.165	20	30		FEEDMO
CC(C)[C@H]1CN(C(=O)C(=O)NCCCCC#N)CC[N@H+]1Cc1ccccc1	ZINC000602243801	567958979	/nfs/dbraw/zinc/95/89/79/567958979.db2.gz	CBXGQNFVJJAICJ-LJQANCHMSA-N	1	1	370.497	2.165	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000568333164	568025458	/nfs/dbraw/zinc/02/54/58/568025458.db2.gz	MXEIDNVLXHJWJI-LLVKDONJSA-N	1	1	374.304	2.328	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCC(F)(F)C3)CC2)cn1	ZINC000330267424	568038874	/nfs/dbraw/zinc/03/88/74/568038874.db2.gz	IBVHIQAEHNWPHO-CQSZACIVSA-N	1	1	355.433	2.277	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCC(F)(F)C3)CC2)cn1	ZINC000330267424	568038876	/nfs/dbraw/zinc/03/88/76/568038876.db2.gz	IBVHIQAEHNWPHO-CQSZACIVSA-N	1	1	355.433	2.277	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(c2cc(C(=O)OC)on2)CC1	ZINC000602999888	568043778	/nfs/dbraw/zinc/04/37/78/568043778.db2.gz	PHHSRJHJESIHSE-AWEZNQCLSA-N	1	1	361.442	2.230	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)n1cc(C[NH2+]Cc2ccccc2)nn1	ZINC000603177133	568068174	/nfs/dbraw/zinc/06/81/74/568068174.db2.gz	RFWBAGXCACBIBT-HNAYVOBHSA-N	1	1	354.458	2.183	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1	ZINC000603173491	568071256	/nfs/dbraw/zinc/07/12/56/568071256.db2.gz	WZJNJXNAIRZEEO-QUCCMNQESA-N	1	1	366.469	2.110	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1	ZINC000603864366	568161552	/nfs/dbraw/zinc/16/15/52/568161552.db2.gz	BKTSHOCYXRZYHN-WIRSXHRWSA-N	1	1	354.498	2.498	20	30		FEEDMO
C=CCc1cc(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc(OC)c1OC	ZINC000604185441	568222607	/nfs/dbraw/zinc/22/26/07/568222607.db2.gz	NGCFTEKQZMXZJJ-MRXNPFEDSA-N	1	1	359.470	2.468	20	30		FEEDMO
COC(=O)c1cc(C)nc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000584711404	568369042	/nfs/dbraw/zinc/36/90/42/568369042.db2.gz	RVNMTNBPNYFYTR-UHFFFAOYSA-N	1	1	365.437	2.156	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000637185024	568534070	/nfs/dbraw/zinc/53/40/70/568534070.db2.gz	DUQZFCZOOSPAJN-IEBWSBKVSA-N	1	1	355.482	2.071	20	30		FEEDMO
N#CCC[C@H](C#N)C[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000556706447	674414249	/nfs/dbraw/zinc/41/42/49/674414249.db2.gz	ZFAOJPMHLKFHMV-QGZVFWFLSA-N	1	1	360.483	2.394	20	30		FEEDMO
C#C[C@@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)C(C)(C)C	ZINC000807883130	674433189	/nfs/dbraw/zinc/43/31/89/674433189.db2.gz	HSKDSPUFNFVSCA-OAHLLOKOSA-N	1	1	351.491	2.140	20	30		FEEDMO
C=CC[N@H+](Cc1ccc(C(=O)NC)cc1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000735419634	598557595	/nfs/dbraw/zinc/55/75/95/598557595.db2.gz	YKEWXPVOQHUGCU-UHFFFAOYSA-N	1	1	362.437	2.415	20	30		FEEDMO
CCOC(=O)C1CCC([N@@H+](CC)CC(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000558747537	674514416	/nfs/dbraw/zinc/51/44/16/674514416.db2.gz	ITYKAMMSPIMVDV-LADRWXRNSA-N	1	1	351.491	2.485	20	30		FEEDMO
C#C[C@@H](NCc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1	ZINC000811516332	674610766	/nfs/dbraw/zinc/61/07/66/674610766.db2.gz	LPMZDDBVBOAQGI-GOSISDBHSA-N	1	1	355.873	2.346	20	30		FEEDMO
C#C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCN(C)CC1)c1ccc(Cl)cc1	ZINC000811998587	674645809	/nfs/dbraw/zinc/64/58/09/674645809.db2.gz	TWVAGDMTGLZLRU-QGZVFWFLSA-N	1	1	362.905	2.340	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000815203972	674930022	/nfs/dbraw/zinc/93/00/22/674930022.db2.gz	PCLXSNXLIIKMNM-HZPDHXFCSA-N	1	1	351.491	2.400	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1SC(F)(F)F	ZINC000815860659	674978820	/nfs/dbraw/zinc/97/88/20/674978820.db2.gz	VLTANTFFAMLFLM-UHFFFAOYSA-N	1	1	373.400	2.308	20	30		FEEDMO
CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2ccn(CCC#N)n2)[C@H](C(F)(F)F)C1	ZINC000569700963	670599311	/nfs/dbraw/zinc/59/93/11/670599311.db2.gz	ORSNUXVBSQYINB-VXGBXAGGSA-N	1	1	357.380	2.644	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000116742845	670908395	/nfs/dbraw/zinc/90/83/95/670908395.db2.gz	LSDLZMKEDFKZMS-UHFFFAOYSA-N	1	1	365.817	2.185	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1Cl	ZINC000572024188	670952649	/nfs/dbraw/zinc/95/26/49/670952649.db2.gz	CXYSIXBVXWDEJI-CQSZACIVSA-N	1	1	358.891	2.405	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1Cl	ZINC000572024188	670952651	/nfs/dbraw/zinc/95/26/51/670952651.db2.gz	CXYSIXBVXWDEJI-CQSZACIVSA-N	1	1	358.891	2.405	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1	ZINC000609438305	675922249	/nfs/dbraw/zinc/92/22/49/675922249.db2.gz	BQLXYUSXWSEKTD-KGLIPLIRSA-N	1	1	360.483	2.230	20	30		FEEDMO
CC(C)[C@H](C#N)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1	ZINC000609537732	675925041	/nfs/dbraw/zinc/92/50/41/675925041.db2.gz	DDFUZYOUTSATIY-AEFFLSMTSA-N	1	1	351.878	2.245	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+](CCO)[C@@H]2CCCSC2)c(C#N)c1C	ZINC000578598203	671676134	/nfs/dbraw/zinc/67/61/34/671676134.db2.gz	WLSINUPEZBCZDT-CYBMUJFWSA-N	1	1	353.513	2.365	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+](CCO)[C@@H]2CCCSC2)c(C#N)c1C	ZINC000578598203	671676136	/nfs/dbraw/zinc/67/61/36/671676136.db2.gz	WLSINUPEZBCZDT-CYBMUJFWSA-N	1	1	353.513	2.365	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+](C[C@@H]2CCCO2)C2CCCC2)nc1	ZINC000580738151	671828499	/nfs/dbraw/zinc/82/84/99/671828499.db2.gz	YDJFJEKVXBNVGQ-KRWDZBQOSA-N	1	1	363.483	2.151	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+](C[C@@H]2CCCO2)C2CCCC2)nc1	ZINC000580738151	671828502	/nfs/dbraw/zinc/82/85/02/671828502.db2.gz	YDJFJEKVXBNVGQ-KRWDZBQOSA-N	1	1	363.483	2.151	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000580743841	671828852	/nfs/dbraw/zinc/82/88/52/671828852.db2.gz	QHOGCKHYZVQSNE-LLVKDONJSA-N	1	1	374.304	2.328	20	30		FEEDMO
C[C@H](SC[C@@H]1C[N@H+](C)CCO1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000580833023	671838541	/nfs/dbraw/zinc/83/85/41/671838541.db2.gz	QVMMINMKYCUQBO-LPMVOBIJSA-N	1	1	353.532	2.370	20	30		FEEDMO
C[C@H](SC[C@@H]1C[N@@H+](C)CCO1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000580833023	671838547	/nfs/dbraw/zinc/83/85/47/671838547.db2.gz	QVMMINMKYCUQBO-LPMVOBIJSA-N	1	1	353.532	2.370	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)C[C@H]1[NH+]1CCOCC1	ZINC000581175023	671870136	/nfs/dbraw/zinc/87/01/36/671870136.db2.gz	WLEKYKOLNQVTAR-MLGOLLRUSA-N	1	1	363.849	2.181	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C	ZINC000134652361	672125398	/nfs/dbraw/zinc/12/53/98/672125398.db2.gz	WHYFLFFWRSJFHM-LSDHHAIUSA-N	1	1	352.479	2.126	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C	ZINC000134652361	672125399	/nfs/dbraw/zinc/12/53/99/672125399.db2.gz	WHYFLFFWRSJFHM-LSDHHAIUSA-N	1	1	352.479	2.126	20	30		FEEDMO
C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C2(CCCCC2)C1	ZINC000584034742	672149096	/nfs/dbraw/zinc/14/90/96/672149096.db2.gz	WRDBLACFKIIEJF-UHFFFAOYSA-N	1	1	365.474	2.477	20	30		FEEDMO
C[N@H+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C2(CCCCC2)C1	ZINC000584034742	672149099	/nfs/dbraw/zinc/14/90/99/672149099.db2.gz	WRDBLACFKIIEJF-UHFFFAOYSA-N	1	1	365.474	2.477	20	30		FEEDMO
N#CC1(CS(=O)(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1	ZINC000584689345	672205971	/nfs/dbraw/zinc/20/59/71/672205971.db2.gz	JDPQNJTVGCDCGV-ROUUACIJSA-N	1	1	359.495	2.074	20	30		FEEDMO
C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000610901860	676004738	/nfs/dbraw/zinc/00/47/38/676004738.db2.gz	IQJKIAUNICOBPK-YGRLFVJLSA-N	1	1	356.348	2.418	20	30		FEEDMO
C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000610901860	676004739	/nfs/dbraw/zinc/00/47/39/676004739.db2.gz	IQJKIAUNICOBPK-YGRLFVJLSA-N	1	1	356.348	2.418	20	30		FEEDMO
N#Cc1cccc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)n1	ZINC000589461292	672527316	/nfs/dbraw/zinc/52/73/16/672527316.db2.gz	WSXSQVUXBWSQSM-QGZVFWFLSA-N	1	1	352.463	2.301	20	30		FEEDMO
N#Cc1cccc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)n1	ZINC000589461292	672527319	/nfs/dbraw/zinc/52/73/19/672527319.db2.gz	WSXSQVUXBWSQSM-QGZVFWFLSA-N	1	1	352.463	2.301	20	30		FEEDMO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cn3ccccc3c2C#N)C1	ZINC000592184272	672768632	/nfs/dbraw/zinc/76/86/32/672768632.db2.gz	ICUBYHJFTQDLSJ-MRXNPFEDSA-N	1	1	350.344	2.311	20	30		FEEDMO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cn3ccccc3c2C#N)C1	ZINC000592184272	672768636	/nfs/dbraw/zinc/76/86/36/672768636.db2.gz	ICUBYHJFTQDLSJ-MRXNPFEDSA-N	1	1	350.344	2.311	20	30		FEEDMO
C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3ccc(Br)cc3C#N)[C@@H]2C1	ZINC000593743643	672986707	/nfs/dbraw/zinc/98/67/07/672986707.db2.gz	GZQZCOOTIAJTPO-XJKSGUPXSA-N	1	1	362.271	2.416	20	30		FEEDMO
CCN1CCN([C@@H](C)CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)CC1	ZINC000303893036	673018594	/nfs/dbraw/zinc/01/85/94/673018594.db2.gz	OAQGFSDFKJTKKY-ZDUSSCGKSA-N	1	1	353.898	2.101	20	30		FEEDMO
O=C(NCC[NH+]1CCC2(CCCCC2)CC1)NC[C@@H]1CCCS1(=O)=O	ZINC000328614799	673064025	/nfs/dbraw/zinc/06/40/25/673064025.db2.gz	RJIWAJQHAPYCTE-INIZCTEOSA-N	1	1	371.547	2.114	20	30		FEEDMO
CC(C)[C@@H](C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000329839036	673084107	/nfs/dbraw/zinc/08/41/07/673084107.db2.gz	VWQKCFLLXWCTCX-AIVZJVSBSA-N	1	1	351.491	2.086	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1	ZINC000594853978	673164446	/nfs/dbraw/zinc/16/44/46/673164446.db2.gz	CCPUMWZNEWFELM-HNNXBMFYSA-N	1	1	363.483	2.252	20	30		FEEDMO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H]2CC[N@H+](C)C2)nc1C	ZINC000729284321	673231298	/nfs/dbraw/zinc/23/12/98/673231298.db2.gz	YQEPJVDNGAZPQN-JTQLQIEISA-N	1	1	364.500	2.075	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1F	ZINC000595411107	673246083	/nfs/dbraw/zinc/24/60/83/673246083.db2.gz	NWJDWFFWORCFCR-AWEZNQCLSA-N	1	1	351.447	2.098	20	30		FEEDMO
C[C@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)C1=CC[N@@H+](C)CC1	ZINC000595581481	673269583	/nfs/dbraw/zinc/26/95/83/673269583.db2.gz	LGXBDFKRLZPLTM-AWEZNQCLSA-N	1	1	359.499	2.102	20	30		FEEDMO
Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccsc2C#N)CC1	ZINC000595634070	673276698	/nfs/dbraw/zinc/27/66/98/673276698.db2.gz	WBRIEIULJAEOCR-MRXNPFEDSA-N	1	1	357.479	2.490	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC(F)(F)[C@@H](CO)C1	ZINC000463228212	673302014	/nfs/dbraw/zinc/30/20/14/673302014.db2.gz	AIXUSGWIDRNCGE-KRIMKBQASA-N	1	1	357.445	2.255	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC(F)(F)[C@@H](CO)C1	ZINC000463228212	673302016	/nfs/dbraw/zinc/30/20/16/673302016.db2.gz	AIXUSGWIDRNCGE-KRIMKBQASA-N	1	1	357.445	2.255	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNc3nc(C#N)c(Cl)s3)cc2)CC1	ZINC000596075740	673356471	/nfs/dbraw/zinc/35/64/71/673356471.db2.gz	KHJWZGNABMVYGD-UHFFFAOYSA-N	1	1	361.902	3.028	20	30		FEEDMO
N#Cc1sccc1N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1	ZINC000596151314	673363464	/nfs/dbraw/zinc/36/34/64/673363464.db2.gz	HHKWQYCRZNAXBG-GJZGRUSLSA-N	1	1	359.499	2.078	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=C1CCC[C@@H]1c1ccccc1	ZINC000732527976	673370811	/nfs/dbraw/zinc/37/08/11/673370811.db2.gz	OZYSOUKWTYWLGL-QGZVFWFLSA-N	1	1	360.527	2.497	20	30		FEEDMO
C=CC[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)C1CC1	ZINC000537858250	673412130	/nfs/dbraw/zinc/41/21/30/673412130.db2.gz	XUJSKVCTKUYEAZ-UHFFFAOYSA-N	1	1	365.499	2.306	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)C1CC1	ZINC000537858250	673412131	/nfs/dbraw/zinc/41/21/31/673412131.db2.gz	XUJSKVCTKUYEAZ-UHFFFAOYSA-N	1	1	365.499	2.306	20	30		FEEDMO
CN(C[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1)S(C)(=O)=O	ZINC000597126749	673450172	/nfs/dbraw/zinc/45/01/72/673450172.db2.gz	CHTQHKLNOHRMBS-QGZVFWFLSA-N	1	1	361.511	2.345	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2nn(C(C)(C)C)cc2Br)CC1	ZINC000597166174	673453057	/nfs/dbraw/zinc/45/30/57/673453057.db2.gz	OTQOERZSKSHCCV-UHFFFAOYSA-N	1	1	368.279	2.118	20	30		FEEDMO
CCOCCC[N@H+]1CCC(=NNS(=O)(=O)c2ccccc2)[C@@H](C)C1	ZINC000735224200	673486522	/nfs/dbraw/zinc/48/65/22/673486522.db2.gz	PJUKTVIJJAUCBG-HNNXBMFYSA-N	1	1	353.488	2.089	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000542879070	673612807	/nfs/dbraw/zinc/61/28/07/673612807.db2.gz	IGZGUBMWEJBBEG-WFASDCNBSA-N	1	1	357.376	2.337	20	30		FEEDMO
C=CCSCCNC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000543745914	673667832	/nfs/dbraw/zinc/66/78/32/673667832.db2.gz	SSMGODNPNIDTPF-SJLPKXTDSA-N	1	1	363.527	2.494	20	30		FEEDMO
C=CCSCCNC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000543745914	673667835	/nfs/dbraw/zinc/66/78/35/673667835.db2.gz	SSMGODNPNIDTPF-SJLPKXTDSA-N	1	1	363.527	2.494	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c(Cl)c1	ZINC000599937679	673728918	/nfs/dbraw/zinc/72/89/18/673728918.db2.gz	HZXLADYFUSYCSP-RYUDHWBXSA-N	1	1	354.237	2.146	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)CC1(C#N)CCCC1)Cc1ccc(F)cc1	ZINC000545362483	673763180	/nfs/dbraw/zinc/76/31/80/673763180.db2.gz	MXNFXLXEPSCSKZ-UHFFFAOYSA-N	1	1	353.463	2.261	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)CC1(C#N)CCCC1)Cc1ccc(F)cc1	ZINC000545362483	673763184	/nfs/dbraw/zinc/76/31/84/673763184.db2.gz	MXNFXLXEPSCSKZ-UHFFFAOYSA-N	1	1	353.463	2.261	20	30		FEEDMO
CC(C)(C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1)N1CCOCC1	ZINC000602633657	673908632	/nfs/dbraw/zinc/90/86/32/673908632.db2.gz	MVJKILIPWHCNNO-UHFFFAOYSA-N	1	1	362.905	2.444	20	30		FEEDMO
CC(C)(CN1CCN(c2ccc(C#N)cc2Cl)CC1)[NH+]1CCOCC1	ZINC000602633657	673908634	/nfs/dbraw/zinc/90/86/34/673908634.db2.gz	MVJKILIPWHCNNO-UHFFFAOYSA-N	1	1	362.905	2.444	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@@H+](CCN1CCOCC1)[C@H]1CCSC1	ZINC000602879569	673912326	/nfs/dbraw/zinc/91/23/26/673912326.db2.gz	BRINBMCVKGZEFP-SFHVURJKSA-N	1	1	361.511	2.207	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C	ZINC000818593243	675226903	/nfs/dbraw/zinc/22/69/03/675226903.db2.gz	QVRCWDCHZYGTFL-GFCCVEGCSA-N	1	1	358.408	2.237	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cn(C(C)(C)C)nc1Br	ZINC000818602763	675227804	/nfs/dbraw/zinc/22/78/04/675227804.db2.gz	CTSGRSKRNANCEH-UHFFFAOYSA-N	1	1	355.280	2.086	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1C	ZINC000819452290	675291667	/nfs/dbraw/zinc/29/16/67/675291667.db2.gz	KKYPPNDQVLCHBJ-ILXRZTDVSA-N	1	1	352.479	2.125	20	30		FEEDMO
CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819545128	675297634	/nfs/dbraw/zinc/29/76/34/675297634.db2.gz	XUSIRBRMGPBCKE-GJZGRUSLSA-N	1	1	352.479	2.126	20	30		FEEDMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819545128	675297635	/nfs/dbraw/zinc/29/76/35/675297635.db2.gz	XUSIRBRMGPBCKE-GJZGRUSLSA-N	1	1	352.479	2.126	20	30		FEEDMO
C[C@H]1CCC[N@H+]1CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819931965	675325397	/nfs/dbraw/zinc/32/53/97/675325397.db2.gz	YHRUQZLDYOWPIY-LSDHHAIUSA-N	1	1	352.479	2.174	20	30		FEEDMO
C#C[C@@H](NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccc(Cl)cc1	ZINC000820553990	675369477	/nfs/dbraw/zinc/36/94/77/675369477.db2.gz	YJKMOOOBYKRDIU-ZWKOTPCHSA-N	1	1	361.873	2.255	20	30		FEEDMO
C#C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Cl)cc1F	ZINC000820750082	675384973	/nfs/dbraw/zinc/38/49/73/675384973.db2.gz	KEDHLQGRHAPUCV-RHSMWYFYSA-N	1	1	367.852	2.299	20	30		FEEDMO
Cn1nc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl	ZINC000822293241	675476298	/nfs/dbraw/zinc/47/62/98/675476298.db2.gz	QEBLHIFIEIHXDJ-UHFFFAOYSA-N	1	1	357.845	2.293	20	30		FEEDMO
Cn1nc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl	ZINC000822293241	675476300	/nfs/dbraw/zinc/47/63/00/675476300.db2.gz	QEBLHIFIEIHXDJ-UHFFFAOYSA-N	1	1	357.845	2.293	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cccn3cc(C(F)(F)F)nc23)CC1	ZINC000825078108	675635822	/nfs/dbraw/zinc/63/58/22/675635822.db2.gz	UBZBGYYYROOSET-UHFFFAOYSA-N	1	1	350.344	2.134	20	30		FEEDMO
O=C(C#Cc1cccs1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000827919544	675786901	/nfs/dbraw/zinc/78/69/01/675786901.db2.gz	KTDDUQHJSLHZKB-MJGOQNOKSA-N	1	1	354.475	2.099	20	30		FEEDMO
CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1	ZINC000619057793	676361970	/nfs/dbraw/zinc/36/19/70/676361970.db2.gz	LDFPJPRYFPWYAF-GOSISDBHSA-N	1	1	361.511	2.488	20	30		FEEDMO
C=CCOc1c(Cl)cc(CN2CC[N@@H+](CCO)C[C@@H]2C)cc1OC	ZINC000628304351	676797522	/nfs/dbraw/zinc/79/75/22/676797522.db2.gz	RTCOPQNRHWFEKR-AWEZNQCLSA-N	1	1	354.878	2.412	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)nn1	ZINC000634717029	677080487	/nfs/dbraw/zinc/08/04/87/677080487.db2.gz	DCQYLKGBJBVUSE-AWEZNQCLSA-N	1	1	357.241	2.300	20	30		FEEDMO
C=CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000643721897	677229846	/nfs/dbraw/zinc/22/98/46/677229846.db2.gz	MIMVCAPGWSLORH-HZPDHXFCSA-N	1	1	363.531	2.333	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Nc1cccc(I)c1	ZINC000838624304	680706800	/nfs/dbraw/zinc/70/68/00/680706800.db2.gz	QRBKUAYTMUUNJC-UHFFFAOYSA-N	1	1	371.222	2.368	20	30		FEEDMO
C=CCc1cc(OC)cc(C[N@@H+]2CCSC[C@H](C(=O)OC)C2)c1O	ZINC000840186700	680805749	/nfs/dbraw/zinc/80/57/49/680805749.db2.gz	RFWYMQLASCCDRH-OAHLLOKOSA-N	1	1	351.468	2.467	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1coc2ccccc12	ZINC000747746519	679900846	/nfs/dbraw/zinc/90/08/46/679900846.db2.gz	JDFNUFWNPGUHCX-UHFFFAOYSA-N	1	1	360.483	2.343	20	30		FEEDMO
C#CCN1CCN(C(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000748810683	679997344	/nfs/dbraw/zinc/99/73/44/679997344.db2.gz	ZVFPKTMRCOUIEY-UHFFFAOYSA-N	1	1	354.281	2.203	20	30		FEEDMO
C#CCN1CCN(C(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000748810683	679997345	/nfs/dbraw/zinc/99/73/45/679997345.db2.gz	ZVFPKTMRCOUIEY-UHFFFAOYSA-N	1	1	354.281	2.203	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CC#Cc3cccc(Cl)c3)C2)CC[N@H+]1C	ZINC001014473715	680037467	/nfs/dbraw/zinc/03/74/67/680037467.db2.gz	DVDOAGNICTUBID-AYOQOUSVSA-N	1	1	359.901	2.222	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1	ZINC001015721677	680049716	/nfs/dbraw/zinc/04/97/16/680049716.db2.gz	MVBKZRXJNRSKDH-QRVBRYPASA-N	1	1	358.869	2.473	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1	ZINC001015721677	680049722	/nfs/dbraw/zinc/04/97/22/680049722.db2.gz	MVBKZRXJNRSKDH-QRVBRYPASA-N	1	1	358.869	2.473	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2	ZINC001019053295	680087475	/nfs/dbraw/zinc/08/74/75/680087475.db2.gz	KKLABGDEPJAUFR-UKRRQHHQSA-N	1	1	367.921	2.166	20	30		FEEDMO
CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21	ZINC000978542736	680178172	/nfs/dbraw/zinc/17/81/72/680178172.db2.gz	RDZVZDFOEAACHC-DZVNLGKHSA-N	1	1	359.495	2.229	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1nc(C)cs1)C2	ZINC000982023765	680263804	/nfs/dbraw/zinc/26/38/04/680263804.db2.gz	VQTSOPRDKGVRAH-CVEARBPZSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1nc(C)cs1)C2	ZINC000982023765	680263806	/nfs/dbraw/zinc/26/38/06/680263806.db2.gz	VQTSOPRDKGVRAH-CVEARBPZSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2snnc2C)C1	ZINC001023643502	680268400	/nfs/dbraw/zinc/26/84/00/680268400.db2.gz	ZXEPASBDUQYRIH-ZOBUZTSGSA-N	1	1	364.515	2.156	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2snnc2C)C1	ZINC001023643502	680268404	/nfs/dbraw/zinc/26/84/04/680268404.db2.gz	ZXEPASBDUQYRIH-ZOBUZTSGSA-N	1	1	364.515	2.156	20	30		FEEDMO
C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC001024508337	680294827	/nfs/dbraw/zinc/29/48/27/680294827.db2.gz	IGVUASGJAHEQED-ZNMIVQPWSA-N	1	1	364.408	2.270	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(OC)ns2)C1	ZINC001027586296	680360824	/nfs/dbraw/zinc/36/08/24/680360824.db2.gz	ZFHLSHNLBLZHDD-BMFZPTHFSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(OC)ns2)C1	ZINC001027586296	680360825	/nfs/dbraw/zinc/36/08/25/680360825.db2.gz	ZFHLSHNLBLZHDD-BMFZPTHFSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(OC)ns1	ZINC001028195796	680372752	/nfs/dbraw/zinc/37/27/52/680372752.db2.gz	VXXBNBOBHPUVPX-QRTARXTBSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(OC)ns1	ZINC001028195796	680372757	/nfs/dbraw/zinc/37/27/57/680372757.db2.gz	VXXBNBOBHPUVPX-QRTARXTBSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CCOCC2)C1	ZINC001028860601	680385778	/nfs/dbraw/zinc/38/57/78/680385778.db2.gz	AWFVDGOJFBFRPE-FHWLQOOXSA-N	1	1	350.503	2.222	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCCNc1cccc(S(N)(=O)=O)c1C#N	ZINC000754978953	680391343	/nfs/dbraw/zinc/39/13/43/680391343.db2.gz	IMRHMWBEZPHBQN-CQSZACIVSA-N	1	1	350.488	2.272	20	30		FEEDMO
C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC001032641582	680415074	/nfs/dbraw/zinc/41/50/74/680415074.db2.gz	YPEFRLHYEVDREA-OKYOBFRVSA-N	1	1	359.901	2.369	20	30		FEEDMO
CN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1	ZINC001033094314	680417037	/nfs/dbraw/zinc/41/70/37/680417037.db2.gz	VSKLHZZEIJZCLL-HQRMLTQVSA-N	1	1	358.869	2.261	20	30		FEEDMO
CN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1	ZINC001033094314	680417038	/nfs/dbraw/zinc/41/70/38/680417038.db2.gz	VSKLHZZEIJZCLL-HQRMLTQVSA-N	1	1	358.869	2.261	20	30		FEEDMO
Cc1nc[nH]c1C=NNC(=S)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000755512819	680418783	/nfs/dbraw/zinc/41/87/83/680418783.db2.gz	UPPSVSHOZHVZFR-UHFFFAOYSA-N	1	1	356.499	2.181	20	30		FEEDMO
C#C[C@@H](NC(=O)NCC[N@H+](C)CCOC)c1ccc(Br)cc1	ZINC000836285928	680444947	/nfs/dbraw/zinc/44/49/47/680444947.db2.gz	YWQLTFKTILNINF-OAHLLOKOSA-N	1	1	368.275	2.001	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CC#Cc2cccc(Cl)c2)CC[N@H+]1C	ZINC001038266627	680454631	/nfs/dbraw/zinc/45/46/31/680454631.db2.gz	UCLOZTZCDNZBJQ-ATZDWAIDSA-N	1	1	359.901	2.222	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1	ZINC001039131824	680462052	/nfs/dbraw/zinc/46/20/52/680462052.db2.gz	WTVYSVPKUCONCN-XOKHGSTOSA-N	1	1	367.921	2.214	20	30		FEEDMO
C=C(Br)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC000985664548	680468266	/nfs/dbraw/zinc/46/82/66/680468266.db2.gz	MCPLUEURSRCXET-KFWWJZLASA-N	1	1	357.292	2.385	20	30		FEEDMO
C=C(Br)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC000985664548	680468267	/nfs/dbraw/zinc/46/82/67/680468267.db2.gz	MCPLUEURSRCXET-KFWWJZLASA-N	1	1	357.292	2.385	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H](C)c2nnc(C)s2)CC1	ZINC000985667243	680468580	/nfs/dbraw/zinc/46/85/80/680468580.db2.gz	OROUFXFJUQXUHE-WQVCFCJDSA-N	1	1	364.515	2.421	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H](C)c2nnc(C)s2)CC1	ZINC000985667243	680468582	/nfs/dbraw/zinc/46/85/82/680468582.db2.gz	OROUFXFJUQXUHE-WQVCFCJDSA-N	1	1	364.515	2.421	20	30		FEEDMO
C#Cc1ccc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)nc1	ZINC000758101015	680555646	/nfs/dbraw/zinc/55/56/46/680555646.db2.gz	NRLFYSZQIJJMKI-SFHVURJKSA-N	1	1	351.475	2.410	20	30		FEEDMO
C#Cc1ccc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)nc1	ZINC000758101015	680555648	/nfs/dbraw/zinc/55/56/48/680555648.db2.gz	NRLFYSZQIJJMKI-SFHVURJKSA-N	1	1	351.475	2.410	20	30		FEEDMO
C[N@H+]1CCCC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)CC1	ZINC000758108908	680555935	/nfs/dbraw/zinc/55/59/35/680555935.db2.gz	XNGSURJUNNFCGM-UHFFFAOYSA-N	1	1	353.492	2.042	20	30		FEEDMO
C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1	ZINC001004458084	680557057	/nfs/dbraw/zinc/55/70/57/680557057.db2.gz	OAJLIBBPIBFVHN-WDSOQIARSA-N	1	1	350.503	2.460	20	30		FEEDMO
Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](Nc2ncc(C#N)cc2Cl)C1	ZINC001043206673	680565994	/nfs/dbraw/zinc/56/59/94/680565994.db2.gz	ZEQGBGDUUDZVIS-IAQYHMDHSA-N	1	1	358.833	2.071	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C	ZINC000758485215	680584829	/nfs/dbraw/zinc/58/48/29/680584829.db2.gz	WSOGTQSYTMXZCE-CVEARBPZSA-N	1	1	355.479	2.053	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C	ZINC000758485215	680584833	/nfs/dbraw/zinc/58/48/33/680584833.db2.gz	WSOGTQSYTMXZCE-CVEARBPZSA-N	1	1	355.479	2.053	20	30		FEEDMO
C=C(Br)CN1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC001046330871	680647345	/nfs/dbraw/zinc/64/73/45/680647345.db2.gz	VLQOGWQTYAZMLY-SQWLQELKSA-N	1	1	358.324	2.206	20	30		FEEDMO
C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2snc(Cl)c2C#N)C1	ZINC001047216498	680658596	/nfs/dbraw/zinc/65/85/96/680658596.db2.gz	FYMRPIAMALZSDM-LOWVWBTDSA-N	1	1	367.906	2.459	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](Nc2ncc(C#N)cc2Cl)C1	ZINC001047217342	680658659	/nfs/dbraw/zinc/65/86/59/680658659.db2.gz	PGDGAEMKHYLWRP-JGGQBBKZSA-N	1	1	361.877	2.398	20	30		FEEDMO
C=C[C@@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C(=O)OCC	ZINC000842980873	680980174	/nfs/dbraw/zinc/98/01/74/680980174.db2.gz	PTDOMLMYYCURFS-GFCCVEGCSA-N	1	1	351.309	2.479	20	30		FEEDMO
C#C[C@@H](C)[N@H+](C)CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	ZINC000769961823	681001750	/nfs/dbraw/zinc/00/17/50/681001750.db2.gz	NMHGNAKGCVGPIY-CQSZACIVSA-N	1	1	351.853	2.077	20	30		FEEDMO
C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	ZINC000769961823	681001752	/nfs/dbraw/zinc/00/17/52/681001752.db2.gz	NMHGNAKGCVGPIY-CQSZACIVSA-N	1	1	351.853	2.077	20	30		FEEDMO
CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O	ZINC000843873672	681023361	/nfs/dbraw/zinc/02/33/61/681023361.db2.gz	QCKGFOBOENXVMU-HBUWYVDXSA-N	1	1	352.479	2.029	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1	ZINC000844124880	681040246	/nfs/dbraw/zinc/04/02/46/681040246.db2.gz	IBXSXAWWKNXLBM-HOTGVXAUSA-N	1	1	350.821	2.477	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2c(F)cccc2Cl)C1	ZINC000844124880	681040248	/nfs/dbraw/zinc/04/02/48/681040248.db2.gz	IBXSXAWWKNXLBM-HOTGVXAUSA-N	1	1	350.821	2.477	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC1CCCCCC1	ZINC001051123924	681063142	/nfs/dbraw/zinc/06/31/42/681063142.db2.gz	IREFVFXDVWUZML-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC1CCCCCC1	ZINC001051123924	681063144	/nfs/dbraw/zinc/06/31/44/681063144.db2.gz	IREFVFXDVWUZML-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(C[NH+](CCC(C)(C)C)C2)C1	ZINC001053260610	681093923	/nfs/dbraw/zinc/09/39/23/681093923.db2.gz	HSLQZLRKSRCKPO-SJORKVTESA-N	1	1	350.503	2.317	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNc1ncc(C#N)cc1Cl	ZINC001054408567	681107455	/nfs/dbraw/zinc/10/74/55/681107455.db2.gz	MYFHDCYOUHEHDE-VHDGCEQUSA-N	1	1	361.877	2.065	20	30		FEEDMO
Cc1nsc(NC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C)c1C#N	ZINC001054569077	681113166	/nfs/dbraw/zinc/11/31/66/681113166.db2.gz	AZUWWLJPEXOGGK-UMVBOHGHSA-N	1	1	361.515	2.171	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCO1	ZINC000773259389	681133372	/nfs/dbraw/zinc/13/33/72/681133372.db2.gz	MAWYZXKQBGYANA-RYQLBKOJSA-N	1	1	361.511	2.440	20	30		FEEDMO
C=C[C@H](C)ONC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000845626412	681141987	/nfs/dbraw/zinc/14/19/87/681141987.db2.gz	GRIJMIXTAJYWOL-RYQLBKOJSA-N	1	1	352.523	2.471	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CCC(Nc3snc(C)c3C#N)CC2)CC[N@H+]1C	ZINC001057443949	681160916	/nfs/dbraw/zinc/16/09/16/681160916.db2.gz	PRIBFLYRJCXKLH-GOEBONIOSA-N	1	1	361.515	2.456	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1	ZINC000932192594	681192461	/nfs/dbraw/zinc/19/24/61/681192461.db2.gz	MXFJYBSFNLYOMM-QWHCGFSZSA-N	1	1	362.499	2.212	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1	ZINC000932192594	681192463	/nfs/dbraw/zinc/19/24/63/681192463.db2.gz	MXFJYBSFNLYOMM-QWHCGFSZSA-N	1	1	362.499	2.212	20	30		FEEDMO
C[N@@H+]1C[C@H]2CN(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)C[C@H]2C1	ZINC000932236112	681202707	/nfs/dbraw/zinc/20/27/07/681202707.db2.gz	ZROYMAMWVUQETR-ZNMIVQPWSA-N	1	1	352.360	2.365	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(S(N)(=O)=O)cc1C#N	ZINC000775708340	681326299	/nfs/dbraw/zinc/32/62/99/681326299.db2.gz	BFPKAFPQSVTMPX-CQSZACIVSA-N	1	1	358.467	2.138	20	30		FEEDMO
COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932941932	681332102	/nfs/dbraw/zinc/33/21/02/681332102.db2.gz	DVXWJWJSRBZIKB-BIIVOSGPSA-N	1	1	357.241	2.097	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1ccccc1C(F)(F)F	ZINC000933248055	681380451	/nfs/dbraw/zinc/38/04/51/681380451.db2.gz	RDCMZGVBTXULPU-GOEBONIOSA-N	1	1	357.376	2.383	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH2+][C@@H](CO)c1ccccc1C(F)(F)F)C1CC1	ZINC000933248875	681380491	/nfs/dbraw/zinc/38/04/91/681380491.db2.gz	WAHFKVKFTGYUMS-GOEBONIOSA-N	1	1	355.360	2.137	20	30		FEEDMO
CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O	ZINC000848009088	681461257	/nfs/dbraw/zinc/46/12/57/681461257.db2.gz	XHKKFVBRKGWXKZ-KBXCAEBGSA-N	1	1	352.479	2.030	20	30		FEEDMO
CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C[N@H+]2CC[C@H](C)C2)C1=O	ZINC000848009088	681461260	/nfs/dbraw/zinc/46/12/60/681461260.db2.gz	XHKKFVBRKGWXKZ-KBXCAEBGSA-N	1	1	352.479	2.030	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1	ZINC000933756120	681464291	/nfs/dbraw/zinc/46/42/91/681464291.db2.gz	NTDLGISJYLLAEB-DOXZYTNZSA-N	1	1	361.511	2.239	20	30		FEEDMO
C#CCN1CCC(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1	ZINC000913891051	685487894	/nfs/dbraw/zinc/48/78/94/685487894.db2.gz	ICECBSYILGRDDT-QGZVFWFLSA-N	1	1	360.527	2.282	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC000781801724	681975421	/nfs/dbraw/zinc/97/54/21/681975421.db2.gz	GJDRSBKSTDGKBR-LBPRGKRZSA-N	1	1	354.309	2.451	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC000781801724	681975424	/nfs/dbraw/zinc/97/54/24/681975424.db2.gz	GJDRSBKSTDGKBR-LBPRGKRZSA-N	1	1	354.309	2.451	20	30		FEEDMO
N#Cc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)s1	ZINC000961949673	682104954	/nfs/dbraw/zinc/10/49/54/682104954.db2.gz	PZEUHSJRHKDRTC-DCNYZXSGSA-N	1	1	355.467	2.131	20	30		FEEDMO
Cc1cc(C=NNC(=S)NC(C)(C)C)c(C)n1CC[NH+]1CCOCC1	ZINC000915951713	685519868	/nfs/dbraw/zinc/51/98/68/685519868.db2.gz	RPXKXWKSBTXMQL-UHFFFAOYSA-N	1	1	365.547	2.034	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc2c(c1)CCC2	ZINC000916310111	685523515	/nfs/dbraw/zinc/52/35/15/685523515.db2.gz	OHUPTCPIJZPDQV-UHFFFAOYSA-N	1	1	360.527	2.086	20	30		FEEDMO
N#Cc1ccc(CC[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1	ZINC000852134621	682225211	/nfs/dbraw/zinc/22/52/11/682225211.db2.gz	FQANFFSXRAPNJP-HOTGVXAUSA-N	1	1	351.372	2.443	20	30		FEEDMO
CCOP(=O)(OCC)[C@H](O)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1	ZINC000852210694	682239868	/nfs/dbraw/zinc/23/98/68/682239868.db2.gz	JVTWVGUAWTXSMH-CVEARBPZSA-N	1	1	356.359	2.108	20	30		FEEDMO
C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC000968916430	682250453	/nfs/dbraw/zinc/25/04/53/682250453.db2.gz	CHKZCFRQANQIAG-KFWWJZLASA-N	1	1	364.408	2.270	20	30		FEEDMO
C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308501	682257817	/nfs/dbraw/zinc/25/78/17/682257817.db2.gz	GNQHWMVRFKSPGL-SFHVURJKSA-N	1	1	352.479	2.030	20	30		FEEDMO
C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308501	682257819	/nfs/dbraw/zinc/25/78/19/682257819.db2.gz	GNQHWMVRFKSPGL-SFHVURJKSA-N	1	1	352.479	2.030	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCC(C)(C)C)CCO2	ZINC000972560794	682421888	/nfs/dbraw/zinc/42/18/88/682421888.db2.gz	GDUIEGVOBJSJSW-UWVAXJGDSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CC(C)C)CCO2	ZINC000972595204	682425300	/nfs/dbraw/zinc/42/53/00/682425300.db2.gz	WHOBZYYWANTEAB-CMKODMSKSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCCC)CCO2	ZINC000972593494	682425321	/nfs/dbraw/zinc/42/53/21/682425321.db2.gz	MYFJEOVFLWSKGW-BJLQDIEVSA-N	1	1	350.503	2.461	20	30		FEEDMO
C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)C1	ZINC000972595140	682425327	/nfs/dbraw/zinc/42/53/27/682425327.db2.gz	VNUGVMILHQBCBI-MBOZVWFJSA-N	1	1	358.507	2.487	20	30		FEEDMO
C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)C1	ZINC000972595140	682425330	/nfs/dbraw/zinc/42/53/30/682425330.db2.gz	VNUGVMILHQBCBI-MBOZVWFJSA-N	1	1	358.507	2.487	20	30		FEEDMO
C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C#Cc2cccs2)C1	ZINC000856327182	682765822	/nfs/dbraw/zinc/76/58/22/682765822.db2.gz	FNELLMUQOYTJIU-SFHVURJKSA-N	1	1	353.491	2.032	20	30		FEEDMO
C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C#Cc2cccs2)C1	ZINC000856327182	682765825	/nfs/dbraw/zinc/76/58/25/682765825.db2.gz	FNELLMUQOYTJIU-SFHVURJKSA-N	1	1	353.491	2.032	20	30		FEEDMO
C=CCCCS(=O)(=O)N1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1	ZINC000856544466	682792597	/nfs/dbraw/zinc/79/25/97/682792597.db2.gz	OVQYGLGPHBOOFX-SFHVURJKSA-N	1	1	367.515	2.282	20	30		FEEDMO
C[C@@H](C[N@H+](C)CC(=O)NC1(C#N)CCCCC1)NC(=O)OC(C)(C)C	ZINC000860093088	683200655	/nfs/dbraw/zinc/20/06/55/683200655.db2.gz	RGSINTMXHCPVEB-AWEZNQCLSA-N	1	1	352.479	2.174	20	30		FEEDMO
C[C@@H](C[N@@H+](C)CC(=O)NC1(C#N)CCCCC1)NC(=O)OC(C)(C)C	ZINC000860093088	683200659	/nfs/dbraw/zinc/20/06/59/683200659.db2.gz	RGSINTMXHCPVEB-AWEZNQCLSA-N	1	1	352.479	2.174	20	30		FEEDMO
C=CC1(CC(=O)NC[C@@H]2CCC[N@@H+]2CC)CN(C(=O)OC(C)(C)C)C1	ZINC000929463607	683598820	/nfs/dbraw/zinc/59/88/20/683598820.db2.gz	XZNUJBPFSJFXSV-HNNXBMFYSA-N	1	1	351.491	2.400	20	30		FEEDMO
Fc1c(Br)ccc(C=NNCCC[NH+]2CCOCC2)c1F	ZINC000863111151	683677734	/nfs/dbraw/zinc/67/77/34/683677734.db2.gz	OUZCQJMOVKNCIN-UHFFFAOYSA-N	1	1	362.218	2.373	20	30		FEEDMO
Cc1cnn([C@H]2[C@H]([NH2+]Cc3cc(C#N)ccc3Br)C[C@@H]2O)c1	ZINC000922252939	683688233	/nfs/dbraw/zinc/68/82/33/683688233.db2.gz	OKOJCUHVSHBGDL-PMPSAXMXSA-N	1	1	361.243	2.290	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1=O	ZINC000930310508	683709321	/nfs/dbraw/zinc/70/93/21/683709321.db2.gz	HCFCTEFJBCFCSK-PMPSAXMXSA-N	1	1	351.491	2.399	20	30		FEEDMO
C[C@@H](CC#N)[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000930866102	683794643	/nfs/dbraw/zinc/79/46/43/683794643.db2.gz	BCNVSEMULMSDSY-XHDPSFHLSA-N	1	1	355.360	2.059	20	30		FEEDMO
C#CC1(O)CC[NH+](Cc2ccc(OC)c(OC)c2Br)CC1	ZINC000931144661	683840934	/nfs/dbraw/zinc/84/09/34/683840934.db2.gz	AAKWJGWQVJKDFK-UHFFFAOYSA-N	1	1	354.244	2.426	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1	ZINC000931144623	683841347	/nfs/dbraw/zinc/84/13/47/683841347.db2.gz	YTMOUWQKBZURRD-LBPRGKRZSA-N	1	1	356.344	2.372	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2(C#N)CCSCC2)CC1	ZINC000931301659	684257932	/nfs/dbraw/zinc/25/79/32/684257932.db2.gz	XVECLBVYGVURHQ-CALCHBBNSA-N	1	1	364.559	2.040	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C(F)(F)F)nc3ccccn32)C1	ZINC000923555846	684305041	/nfs/dbraw/zinc/30/50/41/684305041.db2.gz	SPRUJGKULXNYHQ-GFCCVEGCSA-N	1	1	350.344	2.181	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C(F)(F)F)nc3ccccn32)C1	ZINC000923555846	684305045	/nfs/dbraw/zinc/30/50/45/684305045.db2.gz	SPRUJGKULXNYHQ-GFCCVEGCSA-N	1	1	350.344	2.181	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2c(C(F)(F)F)nc3n2CCCC3)C1	ZINC000923557334	684305283	/nfs/dbraw/zinc/30/52/83/684305283.db2.gz	LRJPUQVSBKQHGQ-LBPRGKRZSA-N	1	1	354.376	2.066	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(C(F)(F)F)nc3n2CCCC3)C1	ZINC000923557334	684305287	/nfs/dbraw/zinc/30/52/87/684305287.db2.gz	LRJPUQVSBKQHGQ-LBPRGKRZSA-N	1	1	354.376	2.066	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)cc1	ZINC000932075014	684402032	/nfs/dbraw/zinc/40/20/32/684402032.db2.gz	KHJNPHPWSRYTJP-DZGCQCFKSA-N	1	1	360.401	2.472	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCS[C@@H](C(F)(F)F)C2)cc1	ZINC000932075014	684402037	/nfs/dbraw/zinc/40/20/37/684402037.db2.gz	KHJNPHPWSRYTJP-DZGCQCFKSA-N	1	1	360.401	2.472	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21	ZINC000868521120	684505670	/nfs/dbraw/zinc/50/56/70/684505670.db2.gz	QEOLRYKUYKZTLB-HZSPNIEDSA-N	1	1	357.882	2.185	20	30		FEEDMO
CC[C@@H](C[NH+](C)C)OC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000870550056	684729760	/nfs/dbraw/zinc/72/97/60/684729760.db2.gz	CIXRAEBNJWHCRL-HNNXBMFYSA-N	1	1	352.456	2.261	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(S(=O)(=O)c3c(C)cccc3C#N)CC2)c1	ZINC000872464414	684956421	/nfs/dbraw/zinc/95/64/21/684956421.db2.gz	UTFIRFGNONVUQF-UHFFFAOYSA-N	1	1	356.451	2.081	20	30		FEEDMO
N#Cc1ccc(-c2ccn(C[N@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)n2)cc1	ZINC000872687423	685004905	/nfs/dbraw/zinc/00/49/05/685004905.db2.gz	FTNUKEPDSPUEMJ-LSDHHAIUSA-N	1	1	350.344	2.482	20	30		FEEDMO
N#Cc1ccc(-c2ccn(C[N@@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)n2)cc1	ZINC000872687423	685004906	/nfs/dbraw/zinc/00/49/06/685004906.db2.gz	FTNUKEPDSPUEMJ-LSDHHAIUSA-N	1	1	350.344	2.482	20	30		FEEDMO
C=CC[N@@H+](CC(C)(C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000876629823	686232875	/nfs/dbraw/zinc/23/28/75/686232875.db2.gz	NLURLNJYPNMIDP-AWEZNQCLSA-N	1	1	360.520	2.212	20	30		FEEDMO
C=CC[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000876629823	686232880	/nfs/dbraw/zinc/23/28/80/686232880.db2.gz	NLURLNJYPNMIDP-AWEZNQCLSA-N	1	1	360.520	2.212	20	30		FEEDMO
N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCN(Cc3ccccn3)C2=O)c1	ZINC000877306723	686351434	/nfs/dbraw/zinc/35/14/34/686351434.db2.gz	XNACHSHDFRFEKS-INIZCTEOSA-N	1	1	355.829	2.282	20	30		FEEDMO
N#Cc1cnc(Cl)c(CNCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1	ZINC000877625216	686424904	/nfs/dbraw/zinc/42/49/04/686424904.db2.gz	WXTPQNACZROAIW-SFHVURJKSA-N	1	1	356.857	2.463	20	30		FEEDMO
N#Cc1ccc(Br)c(C[NH+]2CCC([C@@H](F)C(N)=O)CC2)c1	ZINC000879045475	686723907	/nfs/dbraw/zinc/72/39/07/686723907.db2.gz	YEOIHHUUMJEERT-CQSZACIVSA-N	1	1	354.223	2.356	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1	ZINC000879576983	686861665	/nfs/dbraw/zinc/86/16/65/686861665.db2.gz	ZFHWMNLAXOVHKF-DVOMOZLQSA-N	1	1	358.511	2.461	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO	ZINC000880070872	686993561	/nfs/dbraw/zinc/99/35/61/686993561.db2.gz	NDAKZOBYMUECOA-JKSUJKDBSA-N	1	1	361.511	2.044	20	30		FEEDMO
CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C(F)(F)F	ZINC000880156392	687007729	/nfs/dbraw/zinc/00/77/29/687007729.db2.gz	FVQQYDNEDPHNJK-RBSFLKMASA-N	1	1	356.344	2.265	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCCSC[C@@H]1c1ccccc1OC	ZINC000880172858	687010471	/nfs/dbraw/zinc/01/04/71/687010471.db2.gz	QPNDDTKHQPVOFA-OAHLLOKOSA-N	1	1	363.483	2.187	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCCSC[C@@H]1c1ccccc1OC	ZINC000880172858	687010475	/nfs/dbraw/zinc/01/04/75/687010475.db2.gz	QPNDDTKHQPVOFA-OAHLLOKOSA-N	1	1	363.483	2.187	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](c2nccs2)C1	ZINC000880323924	687035490	/nfs/dbraw/zinc/03/54/90/687035490.db2.gz	WYVQUOZGIOUMJQ-AWEZNQCLSA-N	1	1	351.431	2.232	20	30		FEEDMO
C#CCC1(O)CC[NH+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1	ZINC000880480991	687052771	/nfs/dbraw/zinc/05/27/71/687052771.db2.gz	JZAGDXCQHURDLU-MRXNPFEDSA-N	1	1	350.821	2.435	20	30		FEEDMO
N#Cc1cc(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)cc1F	ZINC000880714863	687077796	/nfs/dbraw/zinc/07/77/96/687077796.db2.gz	BLXPBDNIIYCERA-ZDUSSCGKSA-N	1	1	350.369	2.165	20	30		FEEDMO
CC#CC[C@H](CO)[NH2+]Cc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2	ZINC000883156785	687578738	/nfs/dbraw/zinc/57/87/38/687578738.db2.gz	YZWLDKTWKMMANA-CYBMUJFWSA-N	1	1	365.499	2.300	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1C(F)(F)F	ZINC000884957417	687975144	/nfs/dbraw/zinc/97/51/44/687975144.db2.gz	PXNFSOQLJDTRKR-STQMWFEESA-N	1	1	373.400	2.482	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000885456522	688077348	/nfs/dbraw/zinc/07/73/48/688077348.db2.gz	AEPRAUXFEHEGRR-CVEARBPZSA-N	1	1	351.447	2.086	20	30		FEEDMO
C#CC[N@H+](CC1(C(=O)OC)CC1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426134	688253458	/nfs/dbraw/zinc/25/34/58/688253458.db2.gz	JMWMBTQEDGBOME-UHFFFAOYSA-N	1	1	350.459	2.274	20	30		FEEDMO
C#CC[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1	ZINC000887618499	688462786	/nfs/dbraw/zinc/46/27/86/688462786.db2.gz	JSTUBOYNJYDWQZ-SJORKVTESA-N	1	1	360.527	2.091	20	30		FEEDMO
C#CCC1(NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CCOCC1	ZINC000887772731	688489960	/nfs/dbraw/zinc/48/99/60/688489960.db2.gz	AHFKBTNOGLLVOF-HNNXBMFYSA-N	1	1	361.511	2.366	20	30		FEEDMO
C#CCC1(NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CCOCC1	ZINC000887772731	688489965	/nfs/dbraw/zinc/48/99/65/688489965.db2.gz	AHFKBTNOGLLVOF-HNNXBMFYSA-N	1	1	361.511	2.366	20	30		FEEDMO
C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000887995119	688532816	/nfs/dbraw/zinc/53/28/16/688532816.db2.gz	YUIXRWMCBMGOHM-LLVKDONJSA-N	1	1	352.232	2.228	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888420867	688609362	/nfs/dbraw/zinc/60/93/62/688609362.db2.gz	PTCJOXKYIVFUFC-SNVBAGLBSA-N	1	1	369.878	2.385	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)C1	ZINC000890368441	688911230	/nfs/dbraw/zinc/91/12/30/688911230.db2.gz	IDVAWNGYYWDHKL-ULQDDVLXSA-N	1	1	361.511	2.443	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)C1	ZINC000890368441	688911235	/nfs/dbraw/zinc/91/12/35/688911235.db2.gz	IDVAWNGYYWDHKL-ULQDDVLXSA-N	1	1	361.511	2.443	20	30		FEEDMO
C#CC[N@H+](C)CCCNCc1ccc(Br)cc1NC(C)=O	ZINC000894639655	689571958	/nfs/dbraw/zinc/57/19/58/689571958.db2.gz	QKFJNZOWUDMIHH-UHFFFAOYSA-N	1	1	352.276	2.452	20	30		FEEDMO
C#CC[N@@H+](C)CCCNCc1ccc(Br)cc1NC(C)=O	ZINC000894639655	689571961	/nfs/dbraw/zinc/57/19/61/689571961.db2.gz	QKFJNZOWUDMIHH-UHFFFAOYSA-N	1	1	352.276	2.452	20	30		FEEDMO
CCc1c(C)[nH+]c2ccccc2c1N1C[C@@H]2CS(=O)(=O)C[C@]2(C#N)C1	ZINC000896403611	689869947	/nfs/dbraw/zinc/86/99/47/689869947.db2.gz	JEHIVLGNYQCHKO-KUHUBIRLSA-N	1	1	355.463	2.480	20	30		FEEDMO
C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)[C@@H]1C[N@@H+](C)CCN1C	ZINC000900801172	690564115	/nfs/dbraw/zinc/56/41/15/690564115.db2.gz	BJENEGDEFYUZII-YGRLFVJLSA-N	1	1	355.269	2.229	20	30		FEEDMO
N#Cc1ccccc1C(F)(F)C(=O)NCCCC[N@@H+]1CCC[C@H]1CO	ZINC000901139260	690617618	/nfs/dbraw/zinc/61/76/18/690617618.db2.gz	PIJDZXJUDRCIQB-HNNXBMFYSA-N	1	1	351.397	2.003	20	30		FEEDMO
CCc1nnc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)s1	ZINC000901350782	690639087	/nfs/dbraw/zinc/63/90/87/690639087.db2.gz	USXJLQDSBXFSOM-UHFFFAOYSA-N	1	1	355.467	2.389	20	30		FEEDMO
C[C@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)c1cc(C#N)ccn1	ZINC000902978375	690826381	/nfs/dbraw/zinc/82/63/81/690826381.db2.gz	DKLVFHYMCSJAHS-ZDUSSCGKSA-N	1	1	362.430	2.064	20	30		FEEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nccc3ccc(C#N)cc31)CC2	ZINC001164685189	719713528	/nfs/dbraw/zinc/71/35/28/719713528.db2.gz	RXXYBHUUQQKJCC-UHFFFAOYSA-N	1	1	363.465	2.287	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc(Cl)c1C#N)C2	ZINC001164807943	720087716	/nfs/dbraw/zinc/08/77/16/720087716.db2.gz	GPUSQBUDROKSNE-KDOFPFPSSA-N	1	1	361.877	2.186	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nccc4ccc(C#N)cc43)CC[C@H]2C1	ZINC001164850130	720849720	/nfs/dbraw/zinc/84/97/20/720849720.db2.gz	DMNDERRXXJBIEQ-AZUAARDMSA-N	1	1	366.465	2.280	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH]ccc5ncc(C#N)c4-5)C[C@@H]3C2)cn1	ZINC001164773336	721182171	/nfs/dbraw/zinc/18/21/71/721182171.db2.gz	WHTHXEVHRNFIEB-RDJZCZTQSA-N	1	1	361.453	2.126	20	30		FEEDMO
N#Cc1cc2c(nc1N1C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C1)CCOC2	ZINC001164780800	721433514	/nfs/dbraw/zinc/43/35/14/721433514.db2.gz	AHAFNTWNAJEHAZ-HZPDHXFCSA-N	1	1	367.478	2.051	20	30		FEEDMO
N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2	ZINC001164966819	722072660	/nfs/dbraw/zinc/07/26/60/722072660.db2.gz	DMVVIRPIDSHRGE-OKILXGFUSA-N	1	1	368.815	2.451	20	30		FEEDMO
N#Cc1ccc(Cl)nc1C(F)(F)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2	ZINC001164966819	722072661	/nfs/dbraw/zinc/07/26/61/722072661.db2.gz	DMVVIRPIDSHRGE-OKILXGFUSA-N	1	1	368.815	2.451	20	30		FEEDMO
N#Cc1cc(F)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164981562	722105116	/nfs/dbraw/zinc/10/51/16/722105116.db2.gz	LSIOBGVRRSOFAP-QFBILLFUSA-N	1	1	367.428	2.215	20	30		FEEDMO
Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1C#N	ZINC001164973145	722129719	/nfs/dbraw/zinc/12/97/19/722129719.db2.gz	BARRXMNAXZPOGE-UXHICEINSA-N	1	1	363.465	2.384	20	30		FEEDMO
C[C@@H](NC(=O)CNc1ccc(C#N)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000490834400	889566361	/nfs/dbraw/zinc/56/63/61/889566361.db2.gz	MLSRXPMRKGVGKW-VQIMIIECSA-N	1	1	363.465	2.392	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000800121606	674020986	/nfs/dbraw/zinc/02/09/86/674020986.db2.gz	CGNIOKJTVCNWTM-LLVKDONJSA-N	1	1	361.389	2.340	20	30		FEEDMO
N#Cc1ccc(CN2CC[NH+](C[C@@H](O)COc3ccc(F)cc3)CC2)cc1	ZINC000025226833	539752015	/nfs/dbraw/zinc/75/20/15/539752015.db2.gz	CZKLHCRBOAGCHU-HXUWFJFHSA-N	1	1	369.440	2.255	20	30		FEEDMO
N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1	ZINC000025698663	539766633	/nfs/dbraw/zinc/76/66/33/539766633.db2.gz	LMXJNDXYRGGFBG-CTNGQTDRSA-N	1	1	369.440	2.448	20	30		FEEDMO
COC(=O)c1cc(C[N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)oc1C	ZINC000028694932	539836014	/nfs/dbraw/zinc/83/60/14/539836014.db2.gz	LHIPGYNWUYYSJZ-HNNXBMFYSA-N	1	1	358.394	2.118	20	30		FEEDMO
COC(=O)c1cc(C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)oc1C	ZINC000028694932	539836017	/nfs/dbraw/zinc/83/60/17/539836017.db2.gz	LHIPGYNWUYYSJZ-HNNXBMFYSA-N	1	1	358.394	2.118	20	30		FEEDMO
N#Cc1ccnc(N2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)c1	ZINC000029448518	539854227	/nfs/dbraw/zinc/85/42/27/539854227.db2.gz	FBXRZEDJVUFFJR-KRWDZBQOSA-N	1	1	372.856	2.169	20	30		FEEDMO
CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000030969153	539895222	/nfs/dbraw/zinc/89/52/22/539895222.db2.gz	RDCRNSTUUFSMSC-HNAYVOBHSA-N	1	1	350.507	2.058	20	30		FEEDMO
Cc1ccsc1C[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000042122348	540052438	/nfs/dbraw/zinc/05/24/38/540052438.db2.gz	GQSOOZSFKOWTKS-UHFFFAOYSA-N	1	1	373.482	2.005	20	30		FEEDMO
Cc1ccsc1C[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000042122348	540052442	/nfs/dbraw/zinc/05/24/42/540052442.db2.gz	GQSOOZSFKOWTKS-UHFFFAOYSA-N	1	1	373.482	2.005	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCCn3ccnc3)CC2)cc1	ZINC000042898206	540082626	/nfs/dbraw/zinc/08/26/26/540082626.db2.gz	QIBPNDMIYQLTIP-UHFFFAOYSA-N	1	1	366.469	2.062	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000550420589	674094536	/nfs/dbraw/zinc/09/45/36/674094536.db2.gz	XDALMKVULRXROX-GFCCVEGCSA-N	1	1	362.499	2.456	20	30		FEEDMO
C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)Cc1ccc(C#N)cc1	ZINC000046530476	540261085	/nfs/dbraw/zinc/26/10/85/540261085.db2.gz	YAJOFYZZQIEOSS-UHFFFAOYSA-N	1	1	363.465	2.124	20	30		FEEDMO
COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000046528714	540261145	/nfs/dbraw/zinc/26/11/45/540261145.db2.gz	OHEGOMGOEQYTTL-GOSISDBHSA-N	1	1	354.406	2.217	20	30		FEEDMO
CCCCN(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000052186429	540457089	/nfs/dbraw/zinc/45/70/89/540457089.db2.gz	CPTIYAWWOJZNLL-JXFKEZNVSA-N	1	1	364.534	2.400	20	30		FEEDMO
C=CCc1cc(CNC(=O)NCCn2cc[nH+]c2C)cc(OC)c1OC	ZINC000052299304	540461919	/nfs/dbraw/zinc/46/19/19/540461919.db2.gz	GMLBJXAFDIJWET-UHFFFAOYSA-N	1	1	358.442	2.437	20	30		FEEDMO
N#CCc1cccc(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1	ZINC000052779299	540488405	/nfs/dbraw/zinc/48/84/05/540488405.db2.gz	KKUHIGJXHFOLRD-UHFFFAOYSA-N	1	1	366.440	2.444	20	30		FEEDMO
COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)c(OC)c1	ZINC000053099580	540511306	/nfs/dbraw/zinc/51/13/06/540511306.db2.gz	GSRDAKOYJLFVMG-SFHVURJKSA-N	1	1	370.453	2.497	20	30		FEEDMO
COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)c(OC)c1	ZINC000053099580	540511309	/nfs/dbraw/zinc/51/13/09/540511309.db2.gz	GSRDAKOYJLFVMG-SFHVURJKSA-N	1	1	370.453	2.497	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@H+](C)Cc1ccccc1	ZINC000054281540	540580171	/nfs/dbraw/zinc/58/01/71/540580171.db2.gz	PSSMXABDKWVMAA-UHFFFAOYSA-N	1	1	366.465	2.044	20	30		FEEDMO
N#Cc1ccc(OCC[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc1	ZINC000054613931	540597945	/nfs/dbraw/zinc/59/79/45/540597945.db2.gz	LVRCYSCXKPTWPC-UHFFFAOYSA-N	1	1	361.449	2.403	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C	ZINC000057665831	540806685	/nfs/dbraw/zinc/80/66/85/540806685.db2.gz	HKRCLFJELYTSOM-MRXNPFEDSA-N	1	1	356.451	2.286	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCCc2nnc(-c3ccccc3)o2)CC1	ZINC000064443669	541206166	/nfs/dbraw/zinc/20/61/66/541206166.db2.gz	IXGWXDFLPJULQZ-UHFFFAOYSA-N	1	1	352.438	2.227	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1	ZINC000066875179	541385174	/nfs/dbraw/zinc/38/51/74/541385174.db2.gz	JBYHHRJESZLTOD-HXUWFJFHSA-N	1	1	362.518	2.202	20	30		FEEDMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C1(C#N)CCCC1	ZINC000067068546	541412919	/nfs/dbraw/zinc/41/29/19/541412919.db2.gz	SBJVWXCNMDLJFP-UHFFFAOYSA-N	1	1	370.453	2.105	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@H](O)COCc2ccccc2)CC1	ZINC000067460053	541467310	/nfs/dbraw/zinc/46/73/10/541467310.db2.gz	YIJKMRVPXMFOPH-FQEVSTJZSA-N	1	1	366.465	2.043	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@H+]1C	ZINC000542960254	541509303	/nfs/dbraw/zinc/50/93/03/541509303.db2.gz	VPSHLDPLGSQGSM-GXTWGEPZSA-N	1	1	356.405	2.487	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCCN(c3nccs3)CC2)cc1	ZINC000068301848	541573952	/nfs/dbraw/zinc/57/39/52/541573952.db2.gz	CDDYARPSYPGYDW-KRWDZBQOSA-N	1	1	372.494	2.161	20	30		FEEDMO
N#CCCCCS(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000068874964	541635724	/nfs/dbraw/zinc/63/57/24/541635724.db2.gz	PCNTUGGHSXKGQH-UHFFFAOYSA-N	1	1	360.483	2.090	20	30		FEEDMO
N#CCCCCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000068874964	541635727	/nfs/dbraw/zinc/63/57/27/541635727.db2.gz	PCNTUGGHSXKGQH-UHFFFAOYSA-N	1	1	360.483	2.090	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)CCCCC#N)cc1F	ZINC000068900872	541638841	/nfs/dbraw/zinc/63/88/41/541638841.db2.gz	IHPCHXGUIDNJML-UHFFFAOYSA-N	1	1	350.419	2.433	20	30		FEEDMO
CCN(CC)C(=O)C1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000069682368	541703320	/nfs/dbraw/zinc/70/33/20/541703320.db2.gz	WNEABGSUJLAUQB-INIZCTEOSA-N	1	1	362.518	2.298	20	30		FEEDMO
CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)CS(=O)(=O)CC	ZINC000072633129	541842149	/nfs/dbraw/zinc/84/21/49/541842149.db2.gz	TWHWMWSKMJJZEM-CQSZACIVSA-N	1	1	351.472	2.032	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)CS(=O)(=O)CC	ZINC000072633129	541842153	/nfs/dbraw/zinc/84/21/53/541842153.db2.gz	TWHWMWSKMJJZEM-CQSZACIVSA-N	1	1	351.472	2.032	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@H](O)COCc1ccccc1	ZINC000074289690	542065772	/nfs/dbraw/zinc/06/57/72/542065772.db2.gz	LQRNOFYXZSOBCE-MJGOQNOKSA-N	1	1	373.497	2.227	20	30		FEEDMO
CCCNC(=O)[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000075676343	542196546	/nfs/dbraw/zinc/19/65/46/542196546.db2.gz	DZCKCNUPRZGDAC-INIZCTEOSA-N	1	1	353.426	2.346	20	30		FEEDMO
CCCNC(=O)[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000075676343	542196551	/nfs/dbraw/zinc/19/65/51/542196551.db2.gz	DZCKCNUPRZGDAC-INIZCTEOSA-N	1	1	353.426	2.346	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)o2)cc1	ZINC000075739169	542201793	/nfs/dbraw/zinc/20/17/93/542201793.db2.gz	AWWPDQFJXDYNTG-QGZVFWFLSA-N	1	1	367.453	2.152	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](CN4CCOCC4)C3)o2)cc1	ZINC000075739169	542201796	/nfs/dbraw/zinc/20/17/96/542201796.db2.gz	AWWPDQFJXDYNTG-QGZVFWFLSA-N	1	1	367.453	2.152	20	30		FEEDMO
C=CCCC[N@H+](C)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1	ZINC000076736450	542319487	/nfs/dbraw/zinc/31/94/87/542319487.db2.gz	HUEQYXUZMPZVFK-UHFFFAOYSA-N	1	1	357.498	2.164	20	30		FEEDMO
N#Cc1cc(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1F	ZINC000077497905	542389379	/nfs/dbraw/zinc/38/93/79/542389379.db2.gz	NYLIUDVAOMHBKI-GOSISDBHSA-N	1	1	368.412	2.238	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1	ZINC000077817126	542423746	/nfs/dbraw/zinc/42/37/46/542423746.db2.gz	WXMWNWDETDSABS-UONOGXRCSA-N	1	1	360.483	2.087	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1	ZINC000078451661	542462541	/nfs/dbraw/zinc/46/25/41/542462541.db2.gz	WIIIVDCEZCLQRL-WOJBJXKFSA-N	1	1	354.498	2.343	20	30		FEEDMO
COc1cc(OC)cc([C@H]2CC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)c1	ZINC000083403203	542697267	/nfs/dbraw/zinc/69/72/67/542697267.db2.gz	NDAJJDBKOMUFQN-INIZCTEOSA-N	1	1	370.453	2.149	20	30		FEEDMO
COc1cc(OC)cc([C@H]2CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)c1	ZINC000083403203	542697269	/nfs/dbraw/zinc/69/72/69/542697269.db2.gz	NDAJJDBKOMUFQN-INIZCTEOSA-N	1	1	370.453	2.149	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3nc[nH]n3)CC1)CCC2	ZINC000083443377	542697555	/nfs/dbraw/zinc/69/75/55/542697555.db2.gz	LJEJCLKGONTDGN-UHFFFAOYSA-N	1	1	370.482	2.435	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO	ZINC000085576581	542730789	/nfs/dbraw/zinc/73/07/89/542730789.db2.gz	AGBAAJIVODOZSQ-DLBZAZTESA-N	1	1	372.469	2.410	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N(C)C[C@H](C)C#N)C2)cc(OC)c1	ZINC000088679544	542754926	/nfs/dbraw/zinc/75/49/26/542754926.db2.gz	BESOTVNHYOEFCC-GDBMZVCRSA-N	1	1	360.458	2.079	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)N(C)C[C@H](C)C#N)C2)cc(OC)c1	ZINC000088679544	542754927	/nfs/dbraw/zinc/75/49/27/542754927.db2.gz	BESOTVNHYOEFCC-GDBMZVCRSA-N	1	1	360.458	2.079	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)nc1	ZINC000089644440	542767640	/nfs/dbraw/zinc/76/76/40/542767640.db2.gz	KDGYSLQFSOIUBP-RTBURBONSA-N	1	1	366.465	2.045	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC([C@@H](O)c2nccn2C)CC1	ZINC000089925584	542773706	/nfs/dbraw/zinc/77/37/06/542773706.db2.gz	YYSWKIFHYHZXCI-RDTXWAMCSA-N	1	1	367.453	2.064	20	30		FEEDMO
NC(=O)c1cc(OC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)ccn1	ZINC000093261256	542922053	/nfs/dbraw/zinc/92/20/53/542922053.db2.gz	YTUCHPOLDOLKSA-UHFFFAOYSA-N	1	1	353.397	2.215	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1	ZINC000103163851	543095714	/nfs/dbraw/zinc/09/57/14/543095714.db2.gz	AHKRMMJRWYPCGK-LJQANCHMSA-N	1	1	369.490	2.401	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCn3cnnc3C1)CCCCC2	ZINC000106168976	543212235	/nfs/dbraw/zinc/21/22/35/543212235.db2.gz	ZDRVCMMZOBCXDF-UHFFFAOYSA-N	1	1	370.482	2.325	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCn3cnnc3C1)CCCCC2	ZINC000106168976	543212238	/nfs/dbraw/zinc/21/22/38/543212238.db2.gz	ZDRVCMMZOBCXDF-UHFFFAOYSA-N	1	1	370.482	2.325	20	30		FEEDMO
COc1ccc(C[NH2+][C@H](C)CN2CCN(C)CC2)cc1OCCCC#N	ZINC000106485693	543231969	/nfs/dbraw/zinc/23/19/69/543231969.db2.gz	WMBGWJGEARHWAY-QGZVFWFLSA-N	1	1	360.502	2.103	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1	ZINC000108375380	543288284	/nfs/dbraw/zinc/28/82/84/543288284.db2.gz	XDJODCXHZCTUSY-UHFFFAOYSA-N	1	1	373.432	2.092	20	30		FEEDMO
C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000113339435	543484308	/nfs/dbraw/zinc/48/43/08/543484308.db2.gz	OCJQACPYXSUGAO-SFHVURJKSA-N	1	1	366.513	2.189	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21	ZINC000119433373	543667571	/nfs/dbraw/zinc/66/75/71/543667571.db2.gz	KYPQRDFKBOSHFW-IEBWSBKVSA-N	1	1	357.502	2.289	20	30		FEEDMO
Cc1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)ccc1-n1cncn1	ZINC000122906491	543730854	/nfs/dbraw/zinc/73/08/54/543730854.db2.gz	VTQDJSSDHJUZNT-UHFFFAOYSA-N	1	1	359.437	2.165	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2C1=O	ZINC000123385574	543759079	/nfs/dbraw/zinc/75/90/79/543759079.db2.gz	FNTHRCQUAPTXAL-DZGCQCFKSA-N	1	1	355.438	2.023	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)CCCCC1	ZINC000123640523	543774468	/nfs/dbraw/zinc/77/44/68/543774468.db2.gz	NPLLXDUOPRMCQO-HZPDHXFCSA-N	1	1	351.516	2.316	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1	ZINC000124801426	543843908	/nfs/dbraw/zinc/84/39/08/543843908.db2.gz	HLASDVHMYSICQC-SFHVURJKSA-N	1	1	356.470	2.201	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CCN1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000124860694	543847189	/nfs/dbraw/zinc/84/71/89/543847189.db2.gz	XYZPQDRMYQAQGE-HNNXBMFYSA-N	1	1	355.442	2.413	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[N@H+]1C1CC1	ZINC000127834657	544016056	/nfs/dbraw/zinc/01/60/56/544016056.db2.gz	AZBPLNZRKPIONS-GOEBONIOSA-N	1	1	371.460	2.154	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)CC1	ZINC000127304899	543984775	/nfs/dbraw/zinc/98/47/75/543984775.db2.gz	LKMWQGPSTXWTQK-OAQYLSRUSA-N	1	1	357.498	2.149	20	30		FEEDMO
CCC[C@H]1CN(C(=O)Cc2cccc(OCC#N)c2)CC[N@H+]1CCOC	ZINC000128140165	544034928	/nfs/dbraw/zinc/03/49/28/544034928.db2.gz	WVJZCEZMVBUVDY-SFHVURJKSA-N	1	1	359.470	2.091	20	30		FEEDMO
Cc1oc(NC(=O)CN2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C	ZINC000129685523	544123411	/nfs/dbraw/zinc/12/34/11/544123411.db2.gz	MVEULBOWDRPJGT-JKIFEVAISA-N	1	1	374.485	2.280	20	30		FEEDMO
Cc1oc(NC(=O)CN2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C	ZINC000129685523	544123413	/nfs/dbraw/zinc/12/34/13/544123413.db2.gz	MVEULBOWDRPJGT-JKIFEVAISA-N	1	1	374.485	2.280	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3CC(C)C)CC2)o1	ZINC000130245996	544144253	/nfs/dbraw/zinc/14/42/53/544144253.db2.gz	WIPPPGQZGRWGML-INIZCTEOSA-N	1	1	359.474	2.014	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1	ZINC000130529762	544154546	/nfs/dbraw/zinc/15/45/46/544154546.db2.gz	FNGQQYCFMXFDLR-MRXNPFEDSA-N	1	1	359.470	2.443	20	30		FEEDMO
N#CCCN(C(=O)C[NH+]1CCC(OC[C@H]2CCOC2)CC1)c1ccccc1	ZINC000132056725	544217470	/nfs/dbraw/zinc/21/74/70/544217470.db2.gz	ZCVKGVTZCZNYKC-SFHVURJKSA-N	1	1	371.481	2.451	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000133370011	544267125	/nfs/dbraw/zinc/26/71/25/544267125.db2.gz	SGUWAPHMLGGHAX-KGLIPLIRSA-N	1	1	360.845	2.235	20	30		FEEDMO
C=C[C@H](CC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C)CC2)C1)c1ccccc1	ZINC000134672423	544317696	/nfs/dbraw/zinc/31/76/96/544317696.db2.gz	SEWGBYJTDKQDRB-UYAOXDASSA-N	1	1	369.509	2.359	20	30		FEEDMO
N#Cc1ccc(CN2CCC([NH2+][C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1	ZINC000134870546	544324655	/nfs/dbraw/zinc/32/46/55/544324655.db2.gz	SKJADAQFZNRFDV-FQEVSTJZSA-N	1	1	366.440	2.478	20	30		FEEDMO
COc1ncncc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000135913218	544363162	/nfs/dbraw/zinc/36/31/62/544363162.db2.gz	YXDYYSNIZDRLMR-UHFFFAOYSA-N	1	1	366.425	2.097	20	30		FEEDMO
COc1ncncc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000135913218	544363164	/nfs/dbraw/zinc/36/31/64/544363164.db2.gz	YXDYYSNIZDRLMR-UHFFFAOYSA-N	1	1	366.425	2.097	20	30		FEEDMO
C[C@H](CNC(=O)CCCCOc1cccc(C#N)c1)C[NH+]1CCOCC1	ZINC000150720687	544465028	/nfs/dbraw/zinc/46/50/28/544465028.db2.gz	WPMKMGVZSGSSLD-QGZVFWFLSA-N	1	1	359.470	2.192	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Cc2ccc(OCC#N)cc2)C[C@H](C)O1	ZINC000247512351	549348422	/nfs/dbraw/zinc/34/84/22/549348422.db2.gz	JTNCIWOCJCSPLU-ZIFCJYIRSA-N	1	1	371.481	2.232	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000151619852	544562766	/nfs/dbraw/zinc/56/27/66/544562766.db2.gz	GDLMILWLRRQKPE-MRXNPFEDSA-N	1	1	366.387	2.320	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1	ZINC000151867055	544589939	/nfs/dbraw/zinc/58/99/39/544589939.db2.gz	FQVRITARQINFCX-LNLFQRSKSA-N	1	1	356.422	2.479	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000151974221	544602380	/nfs/dbraw/zinc/60/23/80/544602380.db2.gz	FYABDARGMGFWDN-QAPCUYQASA-N	1	1	356.470	2.466	20	30		FEEDMO
C[NH+]1CCN([C@@H](C(=O)Nc2ccc(C#N)c(C#N)c2)c2ccccc2)CC1	ZINC000152581420	544670937	/nfs/dbraw/zinc/67/09/37/544670937.db2.gz	HDQAXDVLZCNIFH-HXUWFJFHSA-N	1	1	359.433	2.357	20	30		FEEDMO
CC[C@H](NC(=O)c1cc(C#N)cn1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000152319498	544638998	/nfs/dbraw/zinc/63/89/98/544638998.db2.gz	CZCPBSIGQYEGGJ-AZUAARDMSA-N	1	1	366.465	2.306	20	30		FEEDMO
CC[C@H](NC(=O)c1cc(C#N)cn1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000152319498	544639000	/nfs/dbraw/zinc/63/90/00/544639000.db2.gz	CZCPBSIGQYEGGJ-AZUAARDMSA-N	1	1	366.465	2.306	20	30		FEEDMO
CCN(C(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000153275599	544755174	/nfs/dbraw/zinc/75/51/74/544755174.db2.gz	ITLWJSXVOOOIIV-CQSZACIVSA-N	1	1	354.458	2.170	20	30		FEEDMO
C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153325489	544761586	/nfs/dbraw/zinc/76/15/86/544761586.db2.gz	WTMXQNLEZBFBRT-SNVBAGLBSA-N	1	1	362.384	2.033	20	30		FEEDMO
C=CCSCCNC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1	ZINC000552503270	674212367	/nfs/dbraw/zinc/21/23/67/674212367.db2.gz	QTGNOMBUGWPCIT-SJORKVTESA-N	1	1	367.559	2.135	20	30		FEEDMO
CC(C)C(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000553442404	674262166	/nfs/dbraw/zinc/26/21/66/674262166.db2.gz	LLSBYJKREQKJPQ-UHFFFAOYSA-N	1	1	362.861	2.340	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1cccc(Br)c1C#N)C1CC1	ZINC000553818813	674287547	/nfs/dbraw/zinc/28/75/47/674287547.db2.gz	DSQYKGFXGBPNBI-UHFFFAOYSA-N	1	1	372.288	2.083	20	30		FEEDMO
C[C@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@H+]1CC(C)(C)O	ZINC000188616843	328099142	/nfs/dbraw/zinc/09/91/42/328099142.db2.gz	SXGYBNMCFYJTCE-KRWDZBQOSA-N	1	1	373.497	2.411	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)NC(=O)C4)CC2)cc1	ZINC000189975366	328179990	/nfs/dbraw/zinc/17/99/90/328179990.db2.gz	VBOWXNIRSSXVBX-UHFFFAOYSA-N	1	1	374.444	2.401	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)NC(=O)C4)CC2)cc1	ZINC000189975366	328179991	/nfs/dbraw/zinc/17/99/91/328179991.db2.gz	VBOWXNIRSSXVBX-UHFFFAOYSA-N	1	1	374.444	2.401	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC([C@@H]4CCCO4)CC3)C2=O)cc1	ZINC000190079506	328186378	/nfs/dbraw/zinc/18/63/78/328186378.db2.gz	VXIQRSVWOSVGAQ-ROUUACIJSA-N	1	1	353.422	2.081	20	30		FEEDMO
CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)n1	ZINC000192061068	328297665	/nfs/dbraw/zinc/29/76/65/328297665.db2.gz	RBKIDRDFSWERQK-AWEZNQCLSA-N	1	1	373.432	2.496	20	30		FEEDMO
CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)n1	ZINC000192061068	328297667	/nfs/dbraw/zinc/29/76/67/328297667.db2.gz	RBKIDRDFSWERQK-AWEZNQCLSA-N	1	1	373.432	2.496	20	30		FEEDMO
Cn1c(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc2ccccc21	ZINC000192241623	328308685	/nfs/dbraw/zinc/30/86/85/328308685.db2.gz	IHFAFECBKGGONW-GOSISDBHSA-N	1	1	359.433	2.336	20	30		FEEDMO
CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)[C@@H](C)c1ccc(C#N)cc1	ZINC000193759737	328393723	/nfs/dbraw/zinc/39/37/23/328393723.db2.gz	CCYDRQTYYPTABD-NSHDSACASA-N	1	1	356.348	2.329	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C(=O)N(C)C)CC1	ZINC000043784780	324549691	/nfs/dbraw/zinc/54/96/91/324549691.db2.gz	VGOMCQRUNSULSM-LBPRGKRZSA-N	1	1	362.861	2.339	20	30		FEEDMO
Cc1cnn(CCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000080266268	325125886	/nfs/dbraw/zinc/12/58/86/325125886.db2.gz	ODGDTCNWSALREW-UHFFFAOYSA-N	1	1	351.454	2.188	20	30		FEEDMO
CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1	ZINC000085576058	325255991	/nfs/dbraw/zinc/25/59/91/325255991.db2.gz	VTVNUNYGHGNOGT-INIZCTEOSA-N	1	1	360.458	2.266	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1	ZINC000088780201	325301455	/nfs/dbraw/zinc/30/14/55/325301455.db2.gz	UKFYAPCKATYKDR-AWEZNQCLSA-N	1	1	362.861	2.340	20	30		FEEDMO
N#Cc1cc(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1F	ZINC000089868333	325338103	/nfs/dbraw/zinc/33/81/03/325338103.db2.gz	HJUZLEMKIZXNCF-QZTJIDSGSA-N	1	1	368.412	2.454	20	30		FEEDMO
Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1C	ZINC000089942914	325344029	/nfs/dbraw/zinc/34/40/29/325344029.db2.gz	WAHGBTZZRXHKDE-INIZCTEOSA-N	1	1	371.485	2.093	20	30		FEEDMO
Cc1nc(CN2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)oc1C	ZINC000104071526	325531904	/nfs/dbraw/zinc/53/19/04/325531904.db2.gz	HIJUTBIUWFFVLE-UHFFFAOYSA-N	1	1	367.453	2.310	20	30		FEEDMO
CCC[C@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000121969940	326378825	/nfs/dbraw/zinc/37/88/25/326378825.db2.gz	KRIBKPYHHLXWBZ-IBGZPJMESA-N	1	1	358.486	2.320	20	30		FEEDMO
CCC[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1CCOC	ZINC000121969940	326378826	/nfs/dbraw/zinc/37/88/26/326378826.db2.gz	KRIBKPYHHLXWBZ-IBGZPJMESA-N	1	1	358.486	2.320	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000162340199	327023179	/nfs/dbraw/zinc/02/31/79/327023179.db2.gz	ASBNRUURRZJCLL-KSSFIOAISA-N	1	1	373.453	2.496	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1F	ZINC000162349457	327023312	/nfs/dbraw/zinc/02/33/12/327023312.db2.gz	RVQCKMLAOWZIBZ-KDOFPFPSSA-N	1	1	373.453	2.496	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)CNc3cccc(C#N)c3)CC2)nc(C)[nH+]1	ZINC000164366448	327069119	/nfs/dbraw/zinc/06/91/19/327069119.db2.gz	HYZMPCMOFCDMKO-UHFFFAOYSA-N	1	1	364.453	2.162	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1	ZINC000171800534	327162151	/nfs/dbraw/zinc/16/21/51/327162151.db2.gz	GDHARWYEVNDDOO-UHFFFAOYSA-N	1	1	365.437	2.356	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000171908526	327169523	/nfs/dbraw/zinc/16/95/23/327169523.db2.gz	OPJMCCSXGHQHNY-LJQANCHMSA-N	1	1	356.470	2.343	20	30		FEEDMO
N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000173010558	327229933	/nfs/dbraw/zinc/22/99/33/327229933.db2.gz	CMNNVBBDSVLSCU-UHFFFAOYSA-N	1	1	353.875	2.461	20	30		FEEDMO
C[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C1([NH+]2CCOCC2)CCCC1	ZINC000173180645	327239702	/nfs/dbraw/zinc/23/97/02/327239702.db2.gz	PLLTXVSSIMMAHF-DLBZAZTESA-N	1	1	371.481	2.475	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C(C)C)c1C#N	ZINC000173277571	327246123	/nfs/dbraw/zinc/24/61/23/327246123.db2.gz	WUACQIWPFZXUEB-JKSUJKDBSA-N	1	1	354.454	2.279	20	30		FEEDMO
CCc1nsc(N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)n1	ZINC000173855573	327289097	/nfs/dbraw/zinc/28/90/97/327289097.db2.gz	BBKUSAAUELSRSD-UHFFFAOYSA-N	1	1	370.482	2.123	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](CO)C2)c1C#N	ZINC000174704931	327344500	/nfs/dbraw/zinc/34/45/00/327344500.db2.gz	VKWYDXHXLIIMFV-INIZCTEOSA-N	1	1	352.438	2.219	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](CO)C2)c1C#N	ZINC000174704931	327344501	/nfs/dbraw/zinc/34/45/01/327344501.db2.gz	VKWYDXHXLIIMFV-INIZCTEOSA-N	1	1	352.438	2.219	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)c3ccc(C#N)c(C)n3)CC2)nc(C)[nH+]1	ZINC000174884438	327357847	/nfs/dbraw/zinc/35/78/47/327357847.db2.gz	YXJOOJDMEZHABS-UHFFFAOYSA-N	1	1	350.426	2.067	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1	ZINC000264523742	329032422	/nfs/dbraw/zinc/03/24/22/329032422.db2.gz	MXZVJYBSECKAJS-NDDJGDGRSA-N	1	1	352.482	2.200	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C/c2cccc(C#N)c2)CC1	ZINC000264523740	329032495	/nfs/dbraw/zinc/03/24/95/329032495.db2.gz	MXZVJYBSECKAJS-IBDYFIJFSA-N	1	1	352.482	2.200	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNc1c(C#N)cnc2ccc(OC(F)F)cc21	ZINC000264688881	329048888	/nfs/dbraw/zinc/04/88/88/329048888.db2.gz	BSQYSTCDKVGQMP-ZDUSSCGKSA-N	1	1	361.396	2.366	20	30		FEEDMO
C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCOC1	ZINC000266563464	329236461	/nfs/dbraw/zinc/23/64/61/329236461.db2.gz	NFQSKGAZLGZIEQ-QFBILLFUSA-N	1	1	356.470	2.201	20	30		FEEDMO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)c1	ZINC000267401813	329323290	/nfs/dbraw/zinc/32/32/90/329323290.db2.gz	ZXMJFRIFQYQQGD-GOSISDBHSA-N	1	1	367.497	2.256	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[NH+]2CCC(c3nnc4n3CCCC4)CC2)c1	ZINC000274996345	330000274	/nfs/dbraw/zinc/00/02/74/330000274.db2.gz	OXHFOAZBYZNYNC-UHFFFAOYSA-N	1	1	364.453	2.304	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1	ZINC000367182244	330227085	/nfs/dbraw/zinc/22/70/85/330227085.db2.gz	YEZRODDCIZFWBO-IYBDPMFKSA-N	1	1	373.503	2.372	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[N@@H+]3CCCC[C@@H]3C)C2)n1	ZINC000377932279	330252972	/nfs/dbraw/zinc/25/29/72/330252972.db2.gz	OEKKYTXHUKKCDX-HKUYNNGSSA-N	1	1	369.513	2.469	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCCCC1	ZINC000156844779	545669388	/nfs/dbraw/zinc/66/93/88/545669388.db2.gz	XDIDPCXYKNAIFP-UHFFFAOYSA-N	1	1	366.443	2.009	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000157544165	545753226	/nfs/dbraw/zinc/75/32/26/545753226.db2.gz	FRVPUKXBKMAVIY-CYBMUJFWSA-N	1	1	366.443	2.009	20	30		FEEDMO
C=CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000478027859	561158502	/nfs/dbraw/zinc/15/85/02/561158502.db2.gz	MPNKWTAIGFDPAP-CQSZACIVSA-N	1	1	368.401	2.016	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000159841535	545985091	/nfs/dbraw/zinc/98/50/91/545985091.db2.gz	AOINVDFRUZDOLE-QGZVFWFLSA-N	1	1	373.476	2.403	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1	ZINC000171854594	546228036	/nfs/dbraw/zinc/22/80/36/546228036.db2.gz	OARWBEAMNRLSIR-GOSISDBHSA-N	1	1	361.486	2.407	20	30		FEEDMO
C[C@H](CNC(=O)Nc1ccn(CCC#N)n1)[N@@H+]1CCc2sccc2C1	ZINC000173357291	546279269	/nfs/dbraw/zinc/27/92/69/546279269.db2.gz	DCQSABURGLOVOB-CYBMUJFWSA-N	1	1	358.471	2.427	20	30		FEEDMO
C[C@H](CNC(=O)Nc1ccn(CCC#N)n1)[N@H+]1CCc2sccc2C1	ZINC000173357291	546279272	/nfs/dbraw/zinc/27/92/72/546279272.db2.gz	DCQSABURGLOVOB-CYBMUJFWSA-N	1	1	358.471	2.427	20	30		FEEDMO
Cc1cccc(N2CCC(NC(=O)Nc3ccn(CCC#N)n3)CC2)[nH+]1	ZINC000173375236	546280735	/nfs/dbraw/zinc/28/07/35/546280735.db2.gz	UAFLPKNSDZRRSA-UHFFFAOYSA-N	1	1	353.430	2.291	20	30		FEEDMO
COCCN1CCC([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1	ZINC000173644413	546284522	/nfs/dbraw/zinc/28/45/22/546284522.db2.gz	NJJNMVQWLLKOAD-SFHVURJKSA-N	1	1	372.513	2.331	20	30		FEEDMO
C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)CN1CC[NH+](C)CC1	ZINC000175792972	546352157	/nfs/dbraw/zinc/35/21/57/546352157.db2.gz	ADWGBVAYZGCVFU-QGZVFWFLSA-N	1	1	369.513	2.116	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc(C#N)cn1C	ZINC000176043459	546395327	/nfs/dbraw/zinc/39/53/27/546395327.db2.gz	XEKYAEWHUZZUDX-GOSISDBHSA-N	1	1	351.454	2.418	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000176301367	546429429	/nfs/dbraw/zinc/42/94/29/546429429.db2.gz	UJDXHHLABOMITF-CQSZACIVSA-N	1	1	368.474	2.002	20	30		FEEDMO
COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@@H+](CCC(=O)N(C)CCC#N)C1	ZINC000179380110	546943230	/nfs/dbraw/zinc/94/32/30/546943230.db2.gz	XEQFJFQUKWDRAM-MSOLQXFVSA-N	1	1	357.454	2.027	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000180407455	547102884	/nfs/dbraw/zinc/10/28/84/547102884.db2.gz	RYDFWQSZUXHHTB-KGLIPLIRSA-N	1	1	372.444	2.405	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NCc1cnc(N2CC[NH+](C)CC2)nc1	ZINC000181128356	547255508	/nfs/dbraw/zinc/25/55/08/547255508.db2.gz	RKADPEMQCUSRNL-HNNXBMFYSA-N	1	1	352.442	2.131	20	30		FEEDMO
CCCNC(=O)[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182718063	547540321	/nfs/dbraw/zinc/54/03/21/547540321.db2.gz	GYMNPFJPWZQPEZ-PKOBYXMFSA-N	1	1	368.481	2.292	20	30		FEEDMO
Cc1nc2c(cnn2C)c(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)n1	ZINC000182738403	547543945	/nfs/dbraw/zinc/54/39/45/547543945.db2.gz	IKIGHTOMDKUHGH-CQSZACIVSA-N	1	1	361.453	2.427	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](C4OCCO4)C3)C2=O)cc1	ZINC000182742735	547545593	/nfs/dbraw/zinc/54/55/93/547545593.db2.gz	USZUPTUWCNGAQH-FUHWJXTLSA-N	1	1	355.438	2.139	20	30		FEEDMO
N#CCOc1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000183419033	547655718	/nfs/dbraw/zinc/65/57/18/547655718.db2.gz	SXXRKRXXNGHKMF-GOSISDBHSA-N	1	1	365.433	2.086	20	30		FEEDMO
CC[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[N@H+]1Cc1ccccc1	ZINC000183755377	547713536	/nfs/dbraw/zinc/71/35/36/547713536.db2.gz	FQYPPSDHXKUICJ-FQEVSTJZSA-N	1	1	367.497	2.239	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1cccc(Br)c1	ZINC000183899659	547736613	/nfs/dbraw/zinc/73/66/13/547736613.db2.gz	BSJHBOLXAIYDJK-GOEBONIOSA-N	1	1	368.275	2.127	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1	ZINC000184618700	547855504	/nfs/dbraw/zinc/85/55/04/547855504.db2.gz	URFOGLLQMHEUIR-KRWDZBQOSA-N	1	1	362.470	2.347	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1	ZINC000185494069	547992145	/nfs/dbraw/zinc/99/21/45/547992145.db2.gz	TWCCUFHTLAGEBE-CQSZACIVSA-N	1	1	365.499	2.356	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@@H+](CCCCC#N)C2)C(=O)C1	ZINC000186475259	548140994	/nfs/dbraw/zinc/14/09/94/548140994.db2.gz	PKBUYRKBIBRXEJ-INIZCTEOSA-N	1	1	364.490	2.224	20	30		FEEDMO
C[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@H+]1CC(C)(C)O	ZINC000186938290	548223554	/nfs/dbraw/zinc/22/35/54/548223554.db2.gz	UBLQQFCTGNOHTF-AWEZNQCLSA-N	1	1	361.490	2.424	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NCC(=O)NC2(C#N)CCCCC2)[C@H](C)C1	ZINC000187020446	548242917	/nfs/dbraw/zinc/24/29/17/548242917.db2.gz	PMTPLFHHRGRTDD-MSOLQXFVSA-N	1	1	364.534	2.056	20	30		FEEDMO
C=CCN(CCOC)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000190836652	548334891	/nfs/dbraw/zinc/33/48/91/548334891.db2.gz	PLRFDSAQNBAKAM-IBGZPJMESA-N	1	1	361.486	2.122	20	30		FEEDMO
C=CCOc1c(Br)cc(C[NH2+]C2(C(N)=O)CC2)cc1OC	ZINC000191482824	548347016	/nfs/dbraw/zinc/34/70/16/548347016.db2.gz	PMPUKASCVIVLMH-UHFFFAOYSA-N	1	1	355.232	2.130	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1	ZINC000192461750	548364588	/nfs/dbraw/zinc/36/45/88/548364588.db2.gz	XEUWHCOBXURHKW-CYBMUJFWSA-N	1	1	361.417	2.121	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(C#N)s3)cc2)CC1	ZINC000486787622	561356482	/nfs/dbraw/zinc/35/64/82/561356482.db2.gz	LNGLSURPOIDDFT-UHFFFAOYSA-N	1	1	354.479	2.297	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1	ZINC000245410941	548910499	/nfs/dbraw/zinc/91/04/99/548910499.db2.gz	UFCCAXFALOQKAP-GJZGRUSLSA-N	1	1	374.510	2.464	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC(N)=O)C1	ZINC000245410941	548910503	/nfs/dbraw/zinc/91/05/03/548910503.db2.gz	UFCCAXFALOQKAP-GJZGRUSLSA-N	1	1	374.510	2.464	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OCC#N	ZINC000245447819	548924481	/nfs/dbraw/zinc/92/44/81/548924481.db2.gz	MKBXARIDHXHDQI-CDFMYIFESA-N	1	1	355.438	2.306	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21	ZINC000245523712	548938109	/nfs/dbraw/zinc/93/81/09/548938109.db2.gz	NAWYXHIMUBEXHO-HOJAQTOUSA-N	1	1	352.482	2.470	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1	ZINC000245728354	548984006	/nfs/dbraw/zinc/98/40/06/548984006.db2.gz	JBPCNYVDLRBOIT-IAGOWNOFSA-N	1	1	367.453	2.173	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1	ZINC000245728354	548984014	/nfs/dbraw/zinc/98/40/14/548984014.db2.gz	JBPCNYVDLRBOIT-IAGOWNOFSA-N	1	1	367.453	2.173	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)cc1	ZINC000245728354	548984020	/nfs/dbraw/zinc/98/40/20/548984020.db2.gz	JBPCNYVDLRBOIT-IAGOWNOFSA-N	1	1	367.453	2.173	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000245986446	549031348	/nfs/dbraw/zinc/03/13/48/549031348.db2.gz	KHNQISBEWZDOAX-MJBXVCDLSA-N	1	1	360.433	2.118	20	30		FEEDMO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1C	ZINC000246069423	549045662	/nfs/dbraw/zinc/04/56/62/549045662.db2.gz	SLOCRESUIPRLCU-NEPJUHHUSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1C	ZINC000246069423	549045664	/nfs/dbraw/zinc/04/56/64/549045664.db2.gz	SLOCRESUIPRLCU-NEPJUHHUSA-N	1	1	368.384	2.078	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+](CCC)[C@H]1CCS(=O)(=O)C1	ZINC000246155695	549064591	/nfs/dbraw/zinc/06/45/91/549064591.db2.gz	BRXUSFARZKOJRV-ZWKOTPCHSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+](CCC)[C@H]1CCS(=O)(=O)C1	ZINC000246155695	549064594	/nfs/dbraw/zinc/06/45/94/549064594.db2.gz	BRXUSFARZKOJRV-ZWKOTPCHSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCn1cccc1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000488979346	561400765	/nfs/dbraw/zinc/40/07/65/561400765.db2.gz	IHXWZRALNSBTDL-UHFFFAOYSA-N	1	1	353.470	2.011	20	30		FEEDMO
C=CCn1cccc1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000489067816	561402575	/nfs/dbraw/zinc/40/25/75/561402575.db2.gz	GXNZJNBTVZXYJJ-UHFFFAOYSA-N	1	1	359.392	2.401	20	30		FEEDMO
N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(F)c1	ZINC000489091294	561403147	/nfs/dbraw/zinc/40/31/47/561403147.db2.gz	ZELWKKMVLTZAOC-UHFFFAOYSA-N	1	1	353.397	2.421	20	30		FEEDMO
C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000248988359	549536523	/nfs/dbraw/zinc/53/65/23/549536523.db2.gz	GSYFQKHWYPMIJD-RCJHGTSTSA-N	1	1	368.481	2.037	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)[C@@H](C)C1	ZINC000249153465	549561325	/nfs/dbraw/zinc/56/13/25/549561325.db2.gz	HVCZSYUCBRBEDD-BLLLJJGKSA-N	1	1	362.861	2.339	20	30		FEEDMO
COCCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000249363070	549583669	/nfs/dbraw/zinc/58/36/69/549583669.db2.gz	LZYRYQFDOCYBPO-DHADLLTHSA-N	1	1	351.491	2.043	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1	ZINC000489868031	561420894	/nfs/dbraw/zinc/42/08/94/561420894.db2.gz	AXBCPGZNJWCZFF-ZDUSSCGKSA-N	1	1	371.407	2.380	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1	ZINC000489868031	561420895	/nfs/dbraw/zinc/42/08/95/561420895.db2.gz	AXBCPGZNJWCZFF-ZDUSSCGKSA-N	1	1	371.407	2.380	20	30		FEEDMO
C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N1CC[C@H](N2CC=CC2)C1	ZINC000262794534	549850368	/nfs/dbraw/zinc/85/03/68/549850368.db2.gz	OXGWQPZQZBGEFC-LBPRGKRZSA-N	1	1	373.448	2.226	20	30		FEEDMO
CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000264540208	549997713	/nfs/dbraw/zinc/99/77/13/549997713.db2.gz	MHBUDOJJDXVXEE-UHFFFAOYSA-N	1	1	362.499	2.477	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)CS(=O)(=O)C1CCCC1)C(C)C	ZINC000264960724	550004263	/nfs/dbraw/zinc/00/42/63/550004263.db2.gz	ZPALPYKNGYBYCD-QGZVFWFLSA-N	1	1	356.532	2.159	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000265114394	550006201	/nfs/dbraw/zinc/00/62/01/550006201.db2.gz	FOAHRNFSKJHCKB-IBGZPJMESA-N	1	1	366.469	2.001	20	30		FEEDMO
N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1	ZINC000267537331	550032737	/nfs/dbraw/zinc/03/27/37/550032737.db2.gz	UAVZCGKJLLCWFL-HKUYNNGSSA-N	1	1	358.461	2.142	20	30		FEEDMO
N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1	ZINC000267537331	550032741	/nfs/dbraw/zinc/03/27/41/550032741.db2.gz	UAVZCGKJLLCWFL-HKUYNNGSSA-N	1	1	358.461	2.142	20	30		FEEDMO
N#Cc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1	ZINC000270572748	550285066	/nfs/dbraw/zinc/28/50/66/550285066.db2.gz	BUPDJVMQBKEWNS-RTWAWAEBSA-N	1	1	363.461	2.100	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1	ZINC000270954391	550325149	/nfs/dbraw/zinc/32/51/49/550325149.db2.gz	UDKAQWCRFRKBQV-HKUYNNGSSA-N	1	1	368.481	2.327	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1	ZINC000270954391	550325151	/nfs/dbraw/zinc/32/51/51/550325151.db2.gz	UDKAQWCRFRKBQV-HKUYNNGSSA-N	1	1	368.481	2.327	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)CCc2cnccn2)c(OC)c1	ZINC000271345256	550367234	/nfs/dbraw/zinc/36/72/34/550367234.db2.gz	NSXXJHMWOKPOOG-GOSISDBHSA-N	1	1	357.454	2.128	20	30		FEEDMO
C#CCOc1ccccc1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1	ZINC000271455656	550376470	/nfs/dbraw/zinc/37/64/70/550376470.db2.gz	JCJCPOAEGPVWQB-HNNXBMFYSA-N	1	1	358.463	2.458	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1	ZINC000272066929	550420082	/nfs/dbraw/zinc/42/00/82/550420082.db2.gz	YCCIOMQWIONGBZ-HNNXBMFYSA-N	1	1	365.880	2.467	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000272288096	550434510	/nfs/dbraw/zinc/43/45/10/550434510.db2.gz	COSYPWZUNFWHOM-IBGZPJMESA-N	1	1	362.518	2.292	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)[C@H]2C1	ZINC000272455887	550450028	/nfs/dbraw/zinc/45/00/28/550450028.db2.gz	JYMAXLAEAXAMSJ-HKUYNNGSSA-N	1	1	368.481	2.266	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)Cc1cccc(C#N)c1)CCC(F)(F)F	ZINC000494408405	561469175	/nfs/dbraw/zinc/46/91/75/561469175.db2.gz	WVZVBYZCFARCSY-UHFFFAOYSA-N	1	1	363.405	2.252	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)Cc1cccc(C#N)c1)CCC(F)(F)F	ZINC000494408405	561469176	/nfs/dbraw/zinc/46/91/76/561469176.db2.gz	WVZVBYZCFARCSY-UHFFFAOYSA-N	1	1	363.405	2.252	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ccc1OCC#N	ZINC000272578287	550458905	/nfs/dbraw/zinc/45/89/05/550458905.db2.gz	WAHMMYQRICCEHN-JSYWMUGDSA-N	1	1	355.438	2.163	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)ccc1OCC#N	ZINC000272657940	550463513	/nfs/dbraw/zinc/46/35/13/550463513.db2.gz	GHYPSRRDNSIMMC-KEDPEKRHSA-N	1	1	355.438	2.377	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C	ZINC000272835182	550472543	/nfs/dbraw/zinc/47/25/43/550472543.db2.gz	LVVXJHZJQXHBTK-UHFFFAOYSA-N	1	1	361.389	2.283	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N(CCC#N)CCC#N	ZINC000274856980	550560032	/nfs/dbraw/zinc/56/00/32/550560032.db2.gz	SNZBKDXBQBEGQK-UYAOXDASSA-N	1	1	367.497	2.143	20	30		FEEDMO
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)CCC#N	ZINC000274856980	550560033	/nfs/dbraw/zinc/56/00/33/550560033.db2.gz	SNZBKDXBQBEGQK-UYAOXDASSA-N	1	1	367.497	2.143	20	30		FEEDMO
CC1(C)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@H]1O	ZINC000275539954	550572931	/nfs/dbraw/zinc/57/29/31/550572931.db2.gz	YQFGOGVMWAJYEN-MRXNPFEDSA-N	1	1	368.399	2.266	20	30		FEEDMO
CC1(C)C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@H]1O	ZINC000275539954	550572932	/nfs/dbraw/zinc/57/29/32/550572932.db2.gz	YQFGOGVMWAJYEN-MRXNPFEDSA-N	1	1	368.399	2.266	20	30		FEEDMO
CCOCCOCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000276241106	550577611	/nfs/dbraw/zinc/57/76/11/550577611.db2.gz	MCBHDDDFUBGANR-INIZCTEOSA-N	1	1	365.449	2.446	20	30		FEEDMO
CCOCCOCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000276241106	550577612	/nfs/dbraw/zinc/57/76/12/550577612.db2.gz	MCBHDDDFUBGANR-INIZCTEOSA-N	1	1	365.449	2.446	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1Cl	ZINC000277396206	550665361	/nfs/dbraw/zinc/66/53/61/550665361.db2.gz	AZRAOPLWPUINII-HNNXBMFYSA-N	1	1	360.845	2.283	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)[C@H](C)C1	ZINC000277814435	550717311	/nfs/dbraw/zinc/71/73/11/550717311.db2.gz	WNTASDPZDVKNIR-RDTXWAMCSA-N	1	1	373.501	2.260	20	30		FEEDMO
COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000278275816	550768085	/nfs/dbraw/zinc/76/80/85/550768085.db2.gz	JPKCNJMXJPAVKZ-SJLPKXTDSA-N	1	1	371.399	2.403	20	30		FEEDMO
COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000278275816	550768087	/nfs/dbraw/zinc/76/80/87/550768087.db2.gz	JPKCNJMXJPAVKZ-SJLPKXTDSA-N	1	1	371.399	2.403	20	30		FEEDMO
C#CCOc1ccccc1CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000278532182	550796148	/nfs/dbraw/zinc/79/61/48/550796148.db2.gz	ZYLUNHPXMJSLSM-QGZVFWFLSA-N	1	1	371.481	2.093	20	30		FEEDMO
N#Cc1cccc(-c2cc(C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)on2)c1	ZINC000279478737	550894774	/nfs/dbraw/zinc/89/47/74/550894774.db2.gz	OABHWUKSDKYXFU-MRXNPFEDSA-N	1	1	366.421	2.008	20	30		FEEDMO
C[C@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1	ZINC000279695156	550917799	/nfs/dbraw/zinc/91/77/99/550917799.db2.gz	GKUKUDWACFYTGD-LPHOPBHVSA-N	1	1	369.465	2.324	20	30		FEEDMO
C[C@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1	ZINC000279695156	550917801	/nfs/dbraw/zinc/91/78/01/550917801.db2.gz	GKUKUDWACFYTGD-LPHOPBHVSA-N	1	1	369.465	2.324	20	30		FEEDMO
C[C@@H]1OCC[C@@]12C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CCO2	ZINC000279720490	550921123	/nfs/dbraw/zinc/92/11/23/550921123.db2.gz	UPOOXWKXTHCDPV-OXJNMPFZSA-N	1	1	367.453	2.239	20	30		FEEDMO
C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CCO2	ZINC000279720490	550921125	/nfs/dbraw/zinc/92/11/25/550921125.db2.gz	UPOOXWKXTHCDPV-OXJNMPFZSA-N	1	1	367.453	2.239	20	30		FEEDMO
C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000279806089	550931037	/nfs/dbraw/zinc/93/10/37/550931037.db2.gz	POVNPGJHLJBMGI-CRAIPNDOSA-N	1	1	367.453	2.308	20	30		FEEDMO
C[C@@H](O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000279806089	550931038	/nfs/dbraw/zinc/93/10/38/550931038.db2.gz	POVNPGJHLJBMGI-CRAIPNDOSA-N	1	1	367.453	2.308	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000280518086	551002987	/nfs/dbraw/zinc/00/29/87/551002987.db2.gz	RRVPPWZLGSTJJI-SVFBPWRDSA-N	1	1	354.498	2.105	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000280619725	551014044	/nfs/dbraw/zinc/01/40/44/551014044.db2.gz	RKNFMSHLZGSUCQ-UHFFFAOYSA-N	1	1	366.465	2.397	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	ZINC000280661136	551018884	/nfs/dbraw/zinc/01/88/84/551018884.db2.gz	DUZAHJMCUHMCLY-AUUYWEPGSA-N	1	1	374.510	2.477	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	ZINC000280661136	551018885	/nfs/dbraw/zinc/01/88/85/551018885.db2.gz	DUZAHJMCUHMCLY-AUUYWEPGSA-N	1	1	374.510	2.477	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C	ZINC000280757515	551028971	/nfs/dbraw/zinc/02/89/71/551028971.db2.gz	NXXSAVVUTUEWPY-GDBMZVCRSA-N	1	1	353.422	2.479	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C[C@H]1C	ZINC000280757515	551028973	/nfs/dbraw/zinc/02/89/73/551028973.db2.gz	NXXSAVVUTUEWPY-GDBMZVCRSA-N	1	1	353.422	2.479	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](OCc2ccncc2)C1	ZINC000280976384	551051101	/nfs/dbraw/zinc/05/11/01/551051101.db2.gz	KWVFVOZOYRXAJC-SJLPKXTDSA-N	1	1	356.470	2.404	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](OCc2ccncc2)C1	ZINC000280976384	551051103	/nfs/dbraw/zinc/05/11/03/551051103.db2.gz	KWVFVOZOYRXAJC-SJLPKXTDSA-N	1	1	356.470	2.404	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1=O	ZINC000281377520	551090071	/nfs/dbraw/zinc/09/00/71/551090071.db2.gz	OXZVEFBXBKGTDO-HOTGVXAUSA-N	1	1	356.388	2.328	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)C1=O	ZINC000281427151	551096041	/nfs/dbraw/zinc/09/60/41/551096041.db2.gz	ZJGHBPNNFHRYBF-MRXNPFEDSA-N	1	1	358.438	2.229	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)C1=O	ZINC000281427151	551096044	/nfs/dbraw/zinc/09/60/44/551096044.db2.gz	ZJGHBPNNFHRYBF-MRXNPFEDSA-N	1	1	358.438	2.229	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)C1=O	ZINC000281476064	551102400	/nfs/dbraw/zinc/10/24/00/551102400.db2.gz	WGJCTMVSYUPWNI-IBGZPJMESA-N	1	1	367.449	2.428	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)C1=O	ZINC000281476064	551102403	/nfs/dbraw/zinc/10/24/03/551102403.db2.gz	WGJCTMVSYUPWNI-IBGZPJMESA-N	1	1	367.449	2.428	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1	ZINC000281509789	551106837	/nfs/dbraw/zinc/10/68/37/551106837.db2.gz	YRCRIFZWGVKRHE-JZXOWHBKSA-N	1	1	370.453	2.061	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1	ZINC000281509789	551106838	/nfs/dbraw/zinc/10/68/38/551106838.db2.gz	YRCRIFZWGVKRHE-JZXOWHBKSA-N	1	1	370.453	2.061	20	30		FEEDMO
N#CCCN(C(=O)C[NH2+][C@@]1(CO)CCOc2ccccc21)c1ccccc1	ZINC000281617812	551120857	/nfs/dbraw/zinc/12/08/57/551120857.db2.gz	HFSLTYVJSACBFO-OAQYLSRUSA-N	1	1	365.433	2.193	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC(N2CCc3ccccc32)CC1)C1CC1	ZINC000281998791	551167564	/nfs/dbraw/zinc/16/75/64/551167564.db2.gz	ISDMZRVMMTVRAA-NRFANRHFSA-N	1	1	352.482	2.322	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000497363348	561499481	/nfs/dbraw/zinc/49/94/81/561499481.db2.gz	FPTIRHRLPYRLOH-TXPKVOOTSA-N	1	1	350.507	2.058	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000497363348	561499482	/nfs/dbraw/zinc/49/94/82/561499482.db2.gz	FPTIRHRLPYRLOH-TXPKVOOTSA-N	1	1	350.507	2.058	20	30		FEEDMO
C=CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](CCOCC)CC1	ZINC000282747325	551265995	/nfs/dbraw/zinc/26/59/95/551265995.db2.gz	YMFQMOGQUXFCGW-UHFFFAOYSA-N	1	1	373.476	2.353	20	30		FEEDMO
C#CC[C@]1(C(=O)NCCCn2cc[nH+]c2C)CCCN1C(=O)OC(C)(C)C	ZINC000282867045	551279667	/nfs/dbraw/zinc/27/96/67/551279667.db2.gz	AHLIXRDJWPLAAX-HXUWFJFHSA-N	1	1	374.485	2.491	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1	ZINC000282926651	551286239	/nfs/dbraw/zinc/28/62/39/551286239.db2.gz	YFFJIDGMDUAXTR-KRWDZBQOSA-N	1	1	351.454	2.452	20	30		FEEDMO
C=CCn1c(-c2cccnc2)nnc1N1CC[N@@H+](CCOC)[C@@H](CCC)C1	ZINC000283675184	551407423	/nfs/dbraw/zinc/40/74/23/551407423.db2.gz	ZXSVFHLSFDRSMU-SFHVURJKSA-N	1	1	370.501	2.463	20	30		FEEDMO
C[N@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1	ZINC000283992914	551464131	/nfs/dbraw/zinc/46/41/31/551464131.db2.gz	DECKJOXSNPWHJV-RTWAWAEBSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1	ZINC000283992914	551464133	/nfs/dbraw/zinc/46/41/33/551464133.db2.gz	DECKJOXSNPWHJV-RTWAWAEBSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1	ZINC000283992914	551464136	/nfs/dbraw/zinc/46/41/36/551464136.db2.gz	DECKJOXSNPWHJV-RTWAWAEBSA-N	1	1	365.477	2.157	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000498119891	561516424	/nfs/dbraw/zinc/51/64/24/561516424.db2.gz	UNXNJMHUZZJFCB-QUCCMNQESA-N	1	1	359.514	2.463	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000498119891	561516425	/nfs/dbraw/zinc/51/64/25/561516425.db2.gz	UNXNJMHUZZJFCB-QUCCMNQESA-N	1	1	359.514	2.463	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1	ZINC000498119891	561516426	/nfs/dbraw/zinc/51/64/26/561516426.db2.gz	UNXNJMHUZZJFCB-QUCCMNQESA-N	1	1	359.514	2.463	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](c2n[nH]c(=O)o2)C1	ZINC000284360780	551532336	/nfs/dbraw/zinc/53/23/36/551532336.db2.gz	SUNDNZFPASKUKL-CYBMUJFWSA-N	1	1	374.466	2.459	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCN(C(=O)Cc3noc(C)c3C#N)CC2)cc1	ZINC000498502959	561526102	/nfs/dbraw/zinc/52/61/02/561526102.db2.gz	KQYCEMCLTXGXFD-UHFFFAOYSA-N	1	1	368.437	2.140	20	30		FEEDMO
CCOC1CC2(C1)CC[N@@H+]([C@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)C2	ZINC000285041675	551695473	/nfs/dbraw/zinc/69/54/73/551695473.db2.gz	IZYHCEVQEJUHBD-GNZRSQJKSA-N	1	1	353.422	2.081	20	30		FEEDMO
CCOC1CC2(C1)CC[N@H+]([C@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)C2	ZINC000285041675	551695475	/nfs/dbraw/zinc/69/54/75/551695475.db2.gz	IZYHCEVQEJUHBD-GNZRSQJKSA-N	1	1	353.422	2.081	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1	ZINC000285326044	551738722	/nfs/dbraw/zinc/73/87/22/551738722.db2.gz	UBOAKRYWWWPVOI-GOSISDBHSA-N	1	1	355.482	2.192	20	30		FEEDMO
N#CC1(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CCOCC1	ZINC000285360297	551743770	/nfs/dbraw/zinc/74/37/70/551743770.db2.gz	BLIFNXHNEOYRAZ-MRXNPFEDSA-N	1	1	363.408	2.333	20	30		FEEDMO
COC[C@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000285589356	551779503	/nfs/dbraw/zinc/77/95/03/551779503.db2.gz	HSSKIPZLSVVWPJ-RDJZCZTQSA-N	1	1	351.397	2.189	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCc1nc(-c2ccccc2)no1	ZINC000286049348	551842894	/nfs/dbraw/zinc/84/28/94/551842894.db2.gz	RAPAXUQKSSQWAL-LJQANCHMSA-N	1	1	355.442	2.265	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCc1nc(-c2ccccc2)no1	ZINC000286049348	551842896	/nfs/dbraw/zinc/84/28/96/551842896.db2.gz	RAPAXUQKSSQWAL-LJQANCHMSA-N	1	1	355.442	2.265	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000286103585	551849061	/nfs/dbraw/zinc/84/90/61/551849061.db2.gz	OULPWZFTIAVKJD-UHFFFAOYSA-N	1	1	358.461	2.466	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CCc1nc(-c2ccccc2)no1	ZINC000286157407	551855380	/nfs/dbraw/zinc/85/53/80/551855380.db2.gz	WDKZATHJAQCIAP-HNNXBMFYSA-N	1	1	355.442	2.219	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCc1nc(-c2ccccc2)no1	ZINC000286157407	551855382	/nfs/dbraw/zinc/85/53/82/551855382.db2.gz	WDKZATHJAQCIAP-HNNXBMFYSA-N	1	1	355.442	2.219	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)C1CC1	ZINC000286189083	551858995	/nfs/dbraw/zinc/85/89/95/551858995.db2.gz	XLCAFJCSVRAORF-WERVVEIQSA-N	1	1	353.466	2.299	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286246614	551865379	/nfs/dbraw/zinc/86/53/79/551865379.db2.gz	MJSQLLWQEJTFRL-HFTRVMKXSA-N	1	1	358.461	2.322	20	30		FEEDMO
COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000286525436	551896049	/nfs/dbraw/zinc/89/60/49/551896049.db2.gz	NKIFGIIPMWLOKV-INIZCTEOSA-N	1	1	369.343	2.314	20	30		FEEDMO
C#CCN(Cc1ccccc1)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000286985030	551948335	/nfs/dbraw/zinc/94/83/35/551948335.db2.gz	FXNIPGSOMAGVSZ-HXUWFJFHSA-N	1	1	356.514	2.103	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1	ZINC000287156081	551970416	/nfs/dbraw/zinc/97/04/16/551970416.db2.gz	QCBNMILVJQQRRE-FQEVSTJZSA-N	1	1	374.529	2.323	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000288233294	552115705	/nfs/dbraw/zinc/11/57/05/552115705.db2.gz	RRXVNXXFWNGYSY-HKUYNNGSSA-N	1	1	357.498	2.108	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1	ZINC000288233296	552115903	/nfs/dbraw/zinc/11/59/03/552115903.db2.gz	RRXVNXXFWNGYSY-IEBWSBKVSA-N	1	1	357.498	2.108	20	30		FEEDMO
C[C@@H]1COCCN1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000499773902	561558131	/nfs/dbraw/zinc/55/81/31/561558131.db2.gz	PQPOJUKYNPVFRQ-APWZRJJASA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@@H]1COCC[N@@H+]1CCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000499773902	561558132	/nfs/dbraw/zinc/55/81/32/561558132.db2.gz	PQPOJUKYNPVFRQ-APWZRJJASA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@@H]1COCC[N@H+]1CCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000499773902	561558133	/nfs/dbraw/zinc/55/81/33/561558133.db2.gz	PQPOJUKYNPVFRQ-APWZRJJASA-N	1	1	362.905	2.243	20	30		FEEDMO
C#CCC(C)(C)c1nc(-c2ccccc2C[N@@H+]2CCC[C@H]2C(N)=O)no1	ZINC000288922557	552236521	/nfs/dbraw/zinc/23/65/21/552236521.db2.gz	DFAFPZNPVLAUMU-INIZCTEOSA-N	1	1	352.438	2.487	20	30		FEEDMO
C#CCC(C)(C)c1nc(-c2ccccc2C[N@H+]2CCC[C@H]2C(N)=O)no1	ZINC000288922557	552236522	/nfs/dbraw/zinc/23/65/22/552236522.db2.gz	DFAFPZNPVLAUMU-INIZCTEOSA-N	1	1	352.438	2.487	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(F)(c2cccc(OC)c2)CC1	ZINC000500149045	561566883	/nfs/dbraw/zinc/56/68/83/561566883.db2.gz	AMBUTGJCCKNBGA-CQSZACIVSA-N	1	1	363.433	2.356	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(F)(c2cccc(OC)c2)CC1	ZINC000500149043	561566911	/nfs/dbraw/zinc/56/69/11/561566911.db2.gz	AMBUTGJCCKNBGA-AWEZNQCLSA-N	1	1	363.433	2.356	20	30		FEEDMO
N#Cc1cccc(OCC[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1	ZINC000289472482	552327222	/nfs/dbraw/zinc/32/72/22/552327222.db2.gz	NGVUYQJKDKUJSO-CQSZACIVSA-N	1	1	355.360	2.328	20	30		FEEDMO
C=CCn1c(-c2ccccc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1	ZINC000289562900	552341418	/nfs/dbraw/zinc/34/14/18/552341418.db2.gz	GEFNWGVAKREEPG-IBGZPJMESA-N	1	1	366.513	2.347	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1OC	ZINC000289570273	552342874	/nfs/dbraw/zinc/34/28/74/552342874.db2.gz	JMKNINBYVCHRIE-QRWLVFNGSA-N	1	1	373.453	2.213	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1	ZINC000290318988	552459481	/nfs/dbraw/zinc/45/94/81/552459481.db2.gz	VKBALQCPFVFVDI-ZDUSSCGKSA-N	1	1	360.433	2.263	20	30		FEEDMO
CC(C)(C)n1cnc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000290975037	552571188	/nfs/dbraw/zinc/57/11/88/552571188.db2.gz	PGMCOCZXKUTBGD-UHFFFAOYSA-N	1	1	366.469	2.253	20	30		FEEDMO
CC(C)(C)n1cnc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000290975037	552571189	/nfs/dbraw/zinc/57/11/89/552571189.db2.gz	PGMCOCZXKUTBGD-UHFFFAOYSA-N	1	1	366.469	2.253	20	30		FEEDMO
N#CCCCC(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000291523055	552633685	/nfs/dbraw/zinc/63/36/85/552633685.db2.gz	PDYMCDOPUYOHFY-UHFFFAOYSA-N	1	1	362.405	2.119	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C2)C1	ZINC000291622348	552644595	/nfs/dbraw/zinc/64/45/95/552644595.db2.gz	CKNVLFTZPGIEHG-OAHLLOKOSA-N	1	1	373.400	2.293	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1	ZINC000291706616	552653004	/nfs/dbraw/zinc/65/30/04/552653004.db2.gz	IIPGLQONSSNXHY-SFTDATJTSA-N	1	1	355.482	2.112	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1	ZINC000291706616	552653005	/nfs/dbraw/zinc/65/30/05/552653005.db2.gz	IIPGLQONSSNXHY-SFTDATJTSA-N	1	1	355.482	2.112	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)N3CCc4sccc4C3)C2)nc1	ZINC000292093447	552692892	/nfs/dbraw/zinc/69/28/92/552692892.db2.gz	FSFDWLODUSAUDY-INIZCTEOSA-N	1	1	368.462	2.053	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)N3CCc4sccc4C3)C2)nc1	ZINC000292093447	552692894	/nfs/dbraw/zinc/69/28/94/552692894.db2.gz	FSFDWLODUSAUDY-INIZCTEOSA-N	1	1	368.462	2.053	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](C[C@@H](O)COc3ccccc3Cl)C2)nc1	ZINC000292125451	552696210	/nfs/dbraw/zinc/69/62/10/552696210.db2.gz	IHMCITCIWRHFGF-CVEARBPZSA-N	1	1	373.840	2.500	20	30		FEEDMO
CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292244572	552708077	/nfs/dbraw/zinc/70/80/77/552708077.db2.gz	QLOHFWIZTRYIGS-MJGOQNOKSA-N	1	1	350.422	2.236	20	30		FEEDMO
CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292244572	552708079	/nfs/dbraw/zinc/70/80/79/552708079.db2.gz	QLOHFWIZTRYIGS-MJGOQNOKSA-N	1	1	350.422	2.236	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](CCC(=O)N3CCc4ccccc43)C2)nc1	ZINC000292292592	552712943	/nfs/dbraw/zinc/71/29/43/552712943.db2.gz	UIWYTEMPGJNYCM-GOSISDBHSA-N	1	1	362.433	2.386	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)C2)nc1	ZINC000292699927	552750617	/nfs/dbraw/zinc/75/06/17/552750617.db2.gz	QOWUHHMDTPLMME-ROUUACIJSA-N	1	1	369.469	2.133	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(-c2cccnc2)n1	ZINC000292800074	552759606	/nfs/dbraw/zinc/75/96/06/552759606.db2.gz	NLGBGQJJFWFHDJ-GOSISDBHSA-N	1	1	360.421	2.402	20	30		FEEDMO
C#CCNC(=O)CC[N@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1	ZINC000292805327	552760238	/nfs/dbraw/zinc/76/02/38/552760238.db2.gz	MPWVYNVUQYUVCZ-UHFFFAOYSA-N	1	1	355.482	2.143	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1F	ZINC000292846488	552764256	/nfs/dbraw/zinc/76/42/56/552764256.db2.gz	CGYDSDVKSLLQDX-UHFFFAOYSA-N	1	1	374.441	2.035	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2ccncc2)c(C)c1	ZINC000293281531	552806721	/nfs/dbraw/zinc/80/67/21/552806721.db2.gz	GDEUZQMZVQAHEF-UHFFFAOYSA-N	1	1	364.449	2.067	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1c(F)cccc1I	ZINC000293977270	552872462	/nfs/dbraw/zinc/87/24/62/552872462.db2.gz	MPSKLYLHFKQCCX-UHFFFAOYSA-N	1	1	374.197	2.115	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN1c1ncnc2sc(C)cc21	ZINC000294075478	552879936	/nfs/dbraw/zinc/87/99/36/552879936.db2.gz	WEYFVSPLLLPCJX-INIZCTEOSA-N	1	1	371.510	2.040	20	30		FEEDMO
CN(C(=O)C(=O)Nc1sccc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000294891867	552941782	/nfs/dbraw/zinc/94/17/82/552941782.db2.gz	VKZMEHBTRYRPQP-MRXNPFEDSA-N	1	1	368.462	2.291	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000295209870	552970232	/nfs/dbraw/zinc/97/02/32/552970232.db2.gz	UNECBBHLOHCVCC-OAHLLOKOSA-N	1	1	367.490	2.485	20	30		FEEDMO
COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)CC(C)(C)CC#N)cc1	ZINC000296035357	553093518	/nfs/dbraw/zinc/09/35/18/553093518.db2.gz	NUYUGQQYSLRXSO-MRXNPFEDSA-N	1	1	353.488	2.157	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NCc1cc(OC)ccc1OC(F)F	ZINC000296258159	553130612	/nfs/dbraw/zinc/13/06/12/553130612.db2.gz	BVLJCNVDUYQPKX-UHFFFAOYSA-N	1	1	355.385	2.051	20	30		FEEDMO
CCN(C)C(=O)[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C#N)C(C)C	ZINC000296385316	553151302	/nfs/dbraw/zinc/15/13/02/553151302.db2.gz	SIJCMNILCOGVHK-HNNXBMFYSA-N	1	1	350.488	2.268	20	30		FEEDMO
CC(C)[C@H](CNc1ncc(Br)cc1C#N)N1CC[NH+](C)CC1	ZINC000296649852	553193262	/nfs/dbraw/zinc/19/32/62/553193262.db2.gz	XHUUPBGUQSSKKY-HNNXBMFYSA-N	1	1	366.307	2.400	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C	ZINC000297081586	553250611	/nfs/dbraw/zinc/25/06/11/553250611.db2.gz	ZIAMJIJXSILXTJ-UHFFFAOYSA-N	1	1	358.486	2.147	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CNc1ccc(C#N)cn1	ZINC000601707131	553460176	/nfs/dbraw/zinc/46/01/76/553460176.db2.gz	VVXURWFCOIGTIX-VQIMIIECSA-N	1	1	363.465	2.249	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000299183752	553526630	/nfs/dbraw/zinc/52/66/30/553526630.db2.gz	QGZSJACGPRVRMT-VQTJNVASSA-N	1	1	369.509	2.186	20	30		FEEDMO
C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000299191396	553527651	/nfs/dbraw/zinc/52/76/51/553527651.db2.gz	HRFDNFQYJRGVGY-MBOZVWFJSA-N	1	1	370.497	2.460	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C	ZINC000504359856	561657012	/nfs/dbraw/zinc/65/70/12/561657012.db2.gz	XAARZGSDAOFGSG-INIZCTEOSA-N	1	1	373.497	2.047	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C	ZINC000504359856	561657013	/nfs/dbraw/zinc/65/70/13/561657013.db2.gz	XAARZGSDAOFGSG-INIZCTEOSA-N	1	1	373.497	2.047	20	30		FEEDMO
C#CCNC(=O)c1ccc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)nc1	ZINC000301225739	553632859	/nfs/dbraw/zinc/63/28/59/553632859.db2.gz	GDRGIHLJLZAHPN-CQSZACIVSA-N	1	1	354.479	2.365	20	30		FEEDMO
COCC[NH+]1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC1	ZINC000301357562	553645049	/nfs/dbraw/zinc/64/50/49/553645049.db2.gz	MTOSYNHGINRTBU-UHFFFAOYSA-N	1	1	362.380	2.476	20	30		FEEDMO
CN(C)CC[NH+]1CCC(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000301375523	553646927	/nfs/dbraw/zinc/64/69/27/553646927.db2.gz	XHIKQFZRPCPBHN-UHFFFAOYSA-N	1	1	368.441	2.453	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C[C@H]21	ZINC000301647991	553668165	/nfs/dbraw/zinc/66/81/65/553668165.db2.gz	IQEBICRNCIGPRW-HZPDHXFCSA-N	1	1	360.364	2.227	20	30		FEEDMO
CCc1nnc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C#N)c1CC	ZINC000301817464	553682456	/nfs/dbraw/zinc/68/24/56/553682456.db2.gz	FFVWSSXEYQBEPW-SJPCQFCGSA-N	1	1	368.529	2.220	20	30		FEEDMO
C[C@H]1[C@H](NS(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000310790566	553754356	/nfs/dbraw/zinc/75/43/56/553754356.db2.gz	QQIBVINPJMZYRF-HNAYVOBHSA-N	1	1	355.463	2.500	20	30		FEEDMO
C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)[C@H]1CCCO1	ZINC000328634221	553800012	/nfs/dbraw/zinc/80/00/12/553800012.db2.gz	TUMLYAWSTUZPLG-CWLKWCNXSA-N	1	1	363.506	2.216	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@@H]3CCC(=O)NC34CCC4)CC2)CCO1	ZINC000328682340	553806803	/nfs/dbraw/zinc/80/68/03/553806803.db2.gz	CYBPKYJHKMPSBB-GDBMZVCRSA-N	1	1	364.490	2.127	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C[C@](C)(O)C3CC3)c2)CC1	ZINC000328768996	553819613	/nfs/dbraw/zinc/81/96/13/553819613.db2.gz	IGPFSIRNTOSDIG-FQEVSTJZSA-N	1	1	359.470	2.142	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1)N1CC[NH+](C)CC1	ZINC000328846083	553831703	/nfs/dbraw/zinc/83/17/03/553831703.db2.gz	VLBGHRXUAHMOOL-LBPRGKRZSA-N	1	1	365.865	2.298	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCC12CCOCC2	ZINC000328852607	553833076	/nfs/dbraw/zinc/83/30/76/553833076.db2.gz	XAYYFCYBXPEUDX-HZPDHXFCSA-N	1	1	353.507	2.027	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1	ZINC000505882791	561683821	/nfs/dbraw/zinc/68/38/21/561683821.db2.gz	JYBKLAWMZCTQOE-SFHVURJKSA-N	1	1	373.497	2.217	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)C1	ZINC000328920797	553845013	/nfs/dbraw/zinc/84/50/13/553845013.db2.gz	BYSZDKXLNYNUEX-SUMDDJOVSA-N	1	1	359.470	2.243	20	30		FEEDMO
CC(C)[C@H](CNC(=O)[C@H]1CSCN1C(=O)C1CCC1)[NH+]1CCOCC1	ZINC000328927621	553846825	/nfs/dbraw/zinc/84/68/25/553846825.db2.gz	XGBMGZDZFJJFPK-JKSUJKDBSA-N	1	1	369.531	2.001	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1	ZINC000328954402	553852928	/nfs/dbraw/zinc/85/29/28/553852928.db2.gz	MVMFQZPXTACSTE-KZNAEPCWSA-N	1	1	360.502	2.467	20	30		FEEDMO
C[C@H](CC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21)NC(=O)C1CCCCC1	ZINC000328973070	553856063	/nfs/dbraw/zinc/85/60/63/553856063.db2.gz	PGDFHBKMKLEXTD-DJIMGWMZSA-N	1	1	351.491	2.233	20	30		FEEDMO
Cn1nccc1[C@@H]1[C@H](C(=O)NCC2=CC[N@@H+](C)CC2)CCC(=O)N1C1CC1	ZINC000328966374	553855262	/nfs/dbraw/zinc/85/52/62/553855262.db2.gz	MVSMXTKBMMPWNE-APWZRJJASA-N	1	1	371.485	2.081	20	30		FEEDMO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1nc2c(s1)CCC2	ZINC000328979877	553857862	/nfs/dbraw/zinc/85/78/62/553857862.db2.gz	RFALCNRZXOTYEO-IAISJRAMSA-N	1	1	365.499	2.472	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000328979837	553857903	/nfs/dbraw/zinc/85/79/03/553857903.db2.gz	DCBUCPGRUXUVRK-QGPMSJSTSA-N	1	1	359.474	2.055	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000328990611	553860364	/nfs/dbraw/zinc/86/03/64/553860364.db2.gz	FKOKJCYQJJLPED-OBVSXPTNSA-N	1	1	353.507	2.145	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C	ZINC000328990609	553860474	/nfs/dbraw/zinc/86/04/74/553860474.db2.gz	FKOKJCYQJJLPED-HSFUPAIVSA-N	1	1	353.507	2.145	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)C[N@H+]1C1CC1	ZINC000329001495	553862264	/nfs/dbraw/zinc/86/22/64/553862264.db2.gz	XOCMYGOKMKSNBK-UOSKARGWSA-N	1	1	371.481	2.384	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2	ZINC000329049177	553871549	/nfs/dbraw/zinc/87/15/49/553871549.db2.gz	VXZFCIQNTMSYMS-HZPDHXFCSA-N	1	1	373.453	2.461	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000329103598	553880846	/nfs/dbraw/zinc/88/08/46/553880846.db2.gz	GESYADANTVSZTO-YFVAEKQCSA-N	1	1	373.497	2.445	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000329103598	553880848	/nfs/dbraw/zinc/88/08/48/553880848.db2.gz	GESYADANTVSZTO-YFVAEKQCSA-N	1	1	373.497	2.445	20	30		FEEDMO
O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000329110347	553882191	/nfs/dbraw/zinc/88/21/91/553882191.db2.gz	QGPJNBXHGXYEEW-OAHLLOKOSA-N	1	1	371.437	2.029	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000506208678	561693251	/nfs/dbraw/zinc/69/32/51/561693251.db2.gz	IUGCDQZFIJFYIT-HNAYVOBHSA-N	1	1	351.491	2.485	20	30		FEEDMO
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000329166202	553893364	/nfs/dbraw/zinc/89/33/64/553893364.db2.gz	HTMKGRIFMZYZND-XYPHTWIQSA-N	1	1	363.506	2.053	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)[C@@H]2C1	ZINC000329172283	553895086	/nfs/dbraw/zinc/89/50/86/553895086.db2.gz	AFSJWWAVOFEITA-JTDSTZFVSA-N	1	1	356.445	2.076	20	30		FEEDMO
CN1CC[C@H]([NH+]2CCC(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)CC2)C1=O	ZINC000329171615	553895275	/nfs/dbraw/zinc/89/52/75/553895275.db2.gz	KPJAVBHPFIFBLY-MYSGWJLTSA-N	1	1	361.486	2.033	20	30		FEEDMO
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000329194884	553899943	/nfs/dbraw/zinc/89/99/43/553899943.db2.gz	UYNKMFOCVGZBLA-GOEBONIOSA-N	1	1	357.520	2.164	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@H]1C	ZINC000329221445	553905552	/nfs/dbraw/zinc/90/55/52/553905552.db2.gz	UURRANMYMQSGTD-VYDXJSESSA-N	1	1	358.461	2.465	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1	ZINC000329256233	553912492	/nfs/dbraw/zinc/91/24/92/553912492.db2.gz	XLYKVBNQHJUAKX-VXGBXAGGSA-N	1	1	362.405	2.049	20	30		FEEDMO
C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1cncc(F)c1	ZINC000329273785	553914812	/nfs/dbraw/zinc/91/48/12/553914812.db2.gz	AVICRINDUMICQZ-YJBOKZPZSA-N	1	1	363.481	2.298	20	30		FEEDMO
CC(C)[N@H+]1CCCN(C(=O)N[C@H](c2nccn2C)C2CCOCC2)CC1	ZINC000329336621	553927558	/nfs/dbraw/zinc/92/75/58/553927558.db2.gz	LWORZLRRPMXUQQ-KRWDZBQOSA-N	1	1	363.506	2.218	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)C1	ZINC000329338374	553928206	/nfs/dbraw/zinc/92/82/06/553928206.db2.gz	QLJHURFZKIXZHF-HCXYKTFWSA-N	1	1	367.534	2.130	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000329350673	553930141	/nfs/dbraw/zinc/93/01/41/553930141.db2.gz	DIWPSGBWBSDKKA-CWQOZTLDSA-N	1	1	353.507	2.289	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000329350673	553930144	/nfs/dbraw/zinc/93/01/44/553930144.db2.gz	DIWPSGBWBSDKKA-CWQOZTLDSA-N	1	1	353.507	2.289	20	30		FEEDMO
C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCC(F)(C#N)CC2)c1)C1CC1	ZINC000506583932	561702911	/nfs/dbraw/zinc/70/29/11/561702911.db2.gz	ADDHZRUZCDKRPJ-UHFFFAOYSA-N	1	1	372.444	2.116	20	30		FEEDMO
Cc1noc([C@@H]2CCCN2C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1	ZINC000329424715	553944346	/nfs/dbraw/zinc/94/43/46/553944346.db2.gz	GLBOOSSQOZTLFA-GUTXKFCHSA-N	1	1	365.478	2.317	20	30		FEEDMO
Cc1noc([C@@H]2CCCN2C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1	ZINC000329424715	553944347	/nfs/dbraw/zinc/94/43/47/553944347.db2.gz	GLBOOSSQOZTLFA-GUTXKFCHSA-N	1	1	365.478	2.317	20	30		FEEDMO
COC1(C)CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC1	ZINC000329432712	553945823	/nfs/dbraw/zinc/94/58/23/553945823.db2.gz	IDZJCBDFBLUFHE-DOTOQJQBSA-N	1	1	363.506	2.218	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1	ZINC000329509251	553959467	/nfs/dbraw/zinc/95/94/67/553959467.db2.gz	JPMYELVPAIIOPS-OWCLPIDISA-N	1	1	371.485	2.242	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1	ZINC000329510342	553960230	/nfs/dbraw/zinc/96/02/30/553960230.db2.gz	KAKKQHJKHOGOPI-BHIYHBOVSA-N	1	1	359.470	2.416	20	30		FEEDMO
Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H](C)[N@H+]3CCC[C@@H](C)C3)C2)nn1	ZINC000329699578	553991181	/nfs/dbraw/zinc/99/11/81/553991181.db2.gz	ZDPYURHHQWQSPT-NJAFHUGGSA-N	1	1	374.533	2.378	20	30		FEEDMO
CC(C)CN1CCO[C@H](CNC(=O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)C1	ZINC000329697385	553991416	/nfs/dbraw/zinc/99/14/16/553991416.db2.gz	YHDZVHRAKCTWSL-ZWKOTPCHSA-N	1	1	367.534	2.191	20	30		FEEDMO
CC(C)CN1CCO[C@H](CNC(=O)C[N@H+]2CCC3(CCOCC3)[C@@H]2C)C1	ZINC000329697385	553991418	/nfs/dbraw/zinc/99/14/18/553991418.db2.gz	YHDZVHRAKCTWSL-ZWKOTPCHSA-N	1	1	367.534	2.191	20	30		FEEDMO
C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2	ZINC000329703882	553991739	/nfs/dbraw/zinc/99/17/39/553991739.db2.gz	IMYOVXSFAJAVCU-CWQOZTLDSA-N	1	1	363.502	2.043	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(C(=O)NC3CC(C(F)(F)F)C3)CC2)cn1	ZINC000329713687	553993737	/nfs/dbraw/zinc/99/37/37/553993737.db2.gz	RWFNACUROLBZKA-UHFFFAOYSA-N	1	1	359.396	2.183	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)NC3CC(C(F)(F)F)C3)CC2)cn1	ZINC000329713687	553993739	/nfs/dbraw/zinc/99/37/39/553993739.db2.gz	RWFNACUROLBZKA-UHFFFAOYSA-N	1	1	359.396	2.183	20	30		FEEDMO
Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1	ZINC000329727842	553996253	/nfs/dbraw/zinc/99/62/53/553996253.db2.gz	GZJZJANEPMDBRV-KFWWJZLASA-N	1	1	352.442	2.235	20	30		FEEDMO
C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C	ZINC000329743476	553998376	/nfs/dbraw/zinc/99/83/76/553998376.db2.gz	XGMMWCCPKFLNIS-KCYZZUKISA-N	1	1	366.506	2.229	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NCC[C@@H]2CCO[C@H](C)C2)C[C@H]1[NH+]1CCOCC1	ZINC000329760739	554001375	/nfs/dbraw/zinc/00/13/75/554001375.db2.gz	QOXYRYCGVOZAOJ-BRSBDYLESA-N	1	1	353.507	2.148	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1ncn(C(C)(C)C)n1)[N@H+]1CCc2ccccc2C1	ZINC000329764917	554001830	/nfs/dbraw/zinc/00/18/30/554001830.db2.gz	WJAUJZIDNRUEJS-AWEZNQCLSA-N	1	1	356.474	2.806	20	30		FEEDMO
Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)nn1	ZINC000329779589	554004836	/nfs/dbraw/zinc/00/48/36/554004836.db2.gz	RCPRWYHGJRJDOU-YESZJQIVSA-N	1	1	360.506	2.082	20	30		FEEDMO
CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(OCCCC#N)c1	ZINC000507154708	561719687	/nfs/dbraw/zinc/71/96/87/561719687.db2.gz	KSMVGPPVWHMTMM-QGZVFWFLSA-N	1	1	365.499	2.273	20	30		FEEDMO
CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1	ZINC000507154708	561719688	/nfs/dbraw/zinc/71/96/88/561719688.db2.gz	KSMVGPPVWHMTMM-QGZVFWFLSA-N	1	1	365.499	2.273	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1	ZINC000329803898	554008385	/nfs/dbraw/zinc/00/83/85/554008385.db2.gz	JYSCJQLVGYYQTE-QWHCGFSZSA-N	1	1	373.457	2.296	20	30		FEEDMO
[O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCO[C@H](c2cccc(O)c2)C1	ZINC000329889984	554025281	/nfs/dbraw/zinc/02/52/81/554025281.db2.gz	FKQQPXGWJPWPQJ-YOEHRIQHSA-N	1	1	356.426	2.139	20	30		FEEDMO
O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCO[C@H](c2cccc(O)c2)C1	ZINC000329889984	554025283	/nfs/dbraw/zinc/02/52/83/554025283.db2.gz	FKQQPXGWJPWPQJ-YOEHRIQHSA-N	1	1	356.426	2.139	20	30		FEEDMO
CC(C)N1C[C@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1=O	ZINC000329894447	554026603	/nfs/dbraw/zinc/02/66/03/554026603.db2.gz	BIQFPNNCMUHIQT-QZTJIDSGSA-N	1	1	358.486	2.021	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](c3nnc(C(C)C)o3)C2)C1	ZINC000329932587	554034217	/nfs/dbraw/zinc/03/42/17/554034217.db2.gz	IUQRPPZTJIRUOS-HUUCEWRRSA-N	1	1	365.478	2.212	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1	ZINC000329941532	554036225	/nfs/dbraw/zinc/03/62/25/554036225.db2.gz	CFFHCWILWDQMAC-JTDSTZFVSA-N	1	1	353.507	2.291	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1c(C)cc(C)[nH]c1=O	ZINC000329989124	554044836	/nfs/dbraw/zinc/04/48/36/554044836.db2.gz	HTJYPAWDQCCQEC-UHFFFAOYSA-N	1	1	354.414	2.445	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+](CCC2CCCCC2)CC(N)=O)cc1	ZINC000507431824	561729412	/nfs/dbraw/zinc/72/94/12/561729412.db2.gz	WKHXLRXQDBMOIW-GOSISDBHSA-N	1	1	359.470	2.056	20	30		FEEDMO
CN(C)c1ncn(-c2cccc(NC(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)c2)n1	ZINC000330004039	554047971	/nfs/dbraw/zinc/04/79/71/554047971.db2.gz	CFTUFZSZBQDVLS-OAHLLOKOSA-N	1	1	371.489	2.152	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1CC(=O)NC[C@@H]1Cc2ccccc2O1	ZINC000330178214	554078921	/nfs/dbraw/zinc/07/89/21/554078921.db2.gz	DLMHMRJSLNAJPS-LPHOPBHVSA-N	1	1	373.497	2.132	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)N3CC[C@H](O)C[C@@H]3C)CC2)oc1C	ZINC000330197957	554083832	/nfs/dbraw/zinc/08/38/32/554083832.db2.gz	SNPYIDCHYALSHR-GUYCJALGSA-N	1	1	364.490	2.263	20	30		FEEDMO
CN(C([O-])=[NH+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1Cc2ccccc2C1	ZINC000330245258	554092488	/nfs/dbraw/zinc/09/24/88/554092488.db2.gz	XQDZEJBUXZVYLD-WOJBJXKFSA-N	1	1	357.498	2.377	20	30		FEEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000330268718	554096383	/nfs/dbraw/zinc/09/63/83/554096383.db2.gz	RILUOZCBZYVVDX-BZUAXINKSA-N	1	1	359.536	2.062	20	30		FEEDMO
Cc1ccn2cc(CNC(=O)N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)nc2c1	ZINC000330269945	554096636	/nfs/dbraw/zinc/09/66/36/554096636.db2.gz	SQBQUDFHMFOSOZ-INIZCTEOSA-N	1	1	371.485	2.242	20	30		FEEDMO
CC[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C1CCOCC1	ZINC000330271558	554096928	/nfs/dbraw/zinc/09/69/28/554096928.db2.gz	WCLVECOAPFNDOM-CRAIPNDOSA-N	1	1	353.507	2.291	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	ZINC000330325416	554105431	/nfs/dbraw/zinc/10/54/31/554105431.db2.gz	UPLINMHSFSGCKD-KYJSFNMBSA-N	1	1	351.491	2.043	20	30		FEEDMO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1	ZINC000330368654	554112165	/nfs/dbraw/zinc/11/21/65/554112165.db2.gz	AHDBFWLSXYTHSZ-UHOFOFEASA-N	1	1	370.906	2.011	20	30		FEEDMO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1	ZINC000330368654	554112167	/nfs/dbraw/zinc/11/21/67/554112167.db2.gz	AHDBFWLSXYTHSZ-UHOFOFEASA-N	1	1	370.906	2.011	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H](CNC(N)=O)C1	ZINC000330480593	554126628	/nfs/dbraw/zinc/12/66/28/554126628.db2.gz	NWEAXDLCTJDYDS-XUWVNRHRSA-N	1	1	353.511	2.061	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](CNC(N)=O)C2)C1	ZINC000330483797	554127423	/nfs/dbraw/zinc/12/74/23/554127423.db2.gz	VOJCXGGWKIGYJZ-XHSDSOJGSA-N	1	1	367.538	2.451	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1	ZINC000330541963	554135529	/nfs/dbraw/zinc/13/55/29/554135529.db2.gz	WTFKNCWAJQKVNR-WDEREUQCSA-N	1	1	361.364	2.360	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O	ZINC000330986589	554197417	/nfs/dbraw/zinc/19/74/17/554197417.db2.gz	RAWWBYWYOQILEV-BXUZGUMPSA-N	1	1	354.382	2.056	20	30		FEEDMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000331031365	554203447	/nfs/dbraw/zinc/20/34/47/554203447.db2.gz	ZPZGDAAEBCMJGI-UHFFFAOYSA-N	1	1	371.485	2.116	20	30		FEEDMO
COC1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CCC(C)CC1	ZINC000331049500	554206189	/nfs/dbraw/zinc/20/61/89/554206189.db2.gz	HPGADAMUWWYDHO-WUJZJPHMSA-N	1	1	355.523	2.273	20	30		FEEDMO
CC[C@@H](C)n1ncc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1C	ZINC000331168563	554224799	/nfs/dbraw/zinc/22/47/99/554224799.db2.gz	YWFBMSQLGJQLER-KGLIPLIRSA-N	1	1	351.495	2.485	20	30		FEEDMO
C=CCn1c(-c2cccn2C)nnc1N1CC[N@@H+](CCOC)[C@H](CCC)C1	ZINC000508707997	561770197	/nfs/dbraw/zinc/77/01/97/561770197.db2.gz	ZFIHRIQZAUUKLA-QGZVFWFLSA-N	1	1	372.517	2.407	20	30		FEEDMO
Cc1nnccc1NC(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000331195903	554229626	/nfs/dbraw/zinc/22/96/26/554229626.db2.gz	YGMRIFXQJIKDBB-UHFFFAOYSA-N	1	1	363.462	2.068	20	30		FEEDMO
Cc1nnccc1NC(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000331195903	554229629	/nfs/dbraw/zinc/22/96/29/554229629.db2.gz	YGMRIFXQJIKDBB-UHFFFAOYSA-N	1	1	363.462	2.068	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000331290632	554242428	/nfs/dbraw/zinc/24/24/28/554242428.db2.gz	KFQRQACNMGLNDH-KGLIPLIRSA-N	1	1	353.463	2.237	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000331406977	554259179	/nfs/dbraw/zinc/25/91/79/554259179.db2.gz	ULXFKLDGWZOOSU-NVXWUHKLSA-N	1	1	354.454	2.220	20	30		FEEDMO
CN(C)C1(C#N)CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1	ZINC000331594546	554291289	/nfs/dbraw/zinc/29/12/89/554291289.db2.gz	NDLSHIGTRXHQSV-SFHVURJKSA-N	1	1	361.534	2.413	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c(C#N)cc1N(C)C	ZINC000331611516	554294581	/nfs/dbraw/zinc/29/45/81/554294581.db2.gz	RQUOTKAWDLPGFF-INIZCTEOSA-N	1	1	371.485	2.119	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1C(F)(F)F	ZINC000332322174	554425187	/nfs/dbraw/zinc/42/51/87/554425187.db2.gz	ZUFBUWNETWDOTJ-LSDHHAIUSA-N	1	1	373.400	2.482	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N=c2[nH]n(C)cc2C#N)CC[N@@H+]1Cc1ccccc1	ZINC000610572109	554531693	/nfs/dbraw/zinc/53/16/93/554531693.db2.gz	CCTDQOKPANOKDJ-WMLDXEAASA-N	1	1	352.442	2.466	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N=c2[nH]n(C)cc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000610572109	554531695	/nfs/dbraw/zinc/53/16/95/554531695.db2.gz	CCTDQOKPANOKDJ-WMLDXEAASA-N	1	1	352.442	2.466	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1=O	ZINC000510587906	561839788	/nfs/dbraw/zinc/83/97/88/561839788.db2.gz	AIVSSWIRPGVASZ-UXHICEINSA-N	1	1	369.509	2.377	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@@H](NC(=O)CCCc3ccccc3)C2)C1=O	ZINC000510587906	561839789	/nfs/dbraw/zinc/83/97/89/561839789.db2.gz	AIVSSWIRPGVASZ-UXHICEINSA-N	1	1	369.509	2.377	20	30		FEEDMO
CCc1nc(CN2CCC[C@@H]([N@@H+](C)CCOc3cccc(C#N)c3)C2)no1	ZINC000363077241	555025393	/nfs/dbraw/zinc/02/53/93/555025393.db2.gz	KLTUETFDJWLTEU-QGZVFWFLSA-N	1	1	369.469	2.479	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCCC3)C2)cc1	ZINC000363196868	555050894	/nfs/dbraw/zinc/05/08/94/555050894.db2.gz	XFIXYRYNNLLEAG-KRWDZBQOSA-N	1	1	354.454	2.410	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1cnc2ccc(C#N)cn12	ZINC000363236022	555060859	/nfs/dbraw/zinc/06/08/59/555060859.db2.gz	IYQMEYVEJXOKOI-MNEFBYGVSA-N	1	1	353.470	2.185	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000363236022	555060861	/nfs/dbraw/zinc/06/08/61/555060861.db2.gz	IYQMEYVEJXOKOI-MNEFBYGVSA-N	1	1	353.470	2.185	20	30		FEEDMO
C[N@@H+](CCNC(=O)NCC1CCN(c2ccccc2C#N)CC1)C1CC1	ZINC000363287149	555071297	/nfs/dbraw/zinc/07/12/97/555071297.db2.gz	AXMYOLKACZSAHF-UHFFFAOYSA-N	1	1	355.486	2.168	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1	ZINC000363522075	555127276	/nfs/dbraw/zinc/12/72/76/555127276.db2.gz	ADEWCKPBOHIBRA-GOSISDBHSA-N	1	1	370.478	2.144	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1	ZINC000363522075	555127278	/nfs/dbraw/zinc/12/72/78/555127278.db2.gz	ADEWCKPBOHIBRA-GOSISDBHSA-N	1	1	370.478	2.144	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@H](C)c2nc(-c3cccc(F)c3)no2)CC1	ZINC000363710907	555169260	/nfs/dbraw/zinc/16/92/60/555169260.db2.gz	GHXAKEBUPFLSOS-CYBMUJFWSA-N	1	1	356.401	2.398	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC#Cc1cccc(F)c1	ZINC000512158934	561894354	/nfs/dbraw/zinc/89/43/54/561894354.db2.gz	OMRYIROXOLPIJK-MRXNPFEDSA-N	1	1	359.445	2.072	20	30		FEEDMO
Cc1[nH+]c(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c2n1CCCC2	ZINC000364032623	555236798	/nfs/dbraw/zinc/23/67/98/555236798.db2.gz	ZPDSBKHFIDRXHG-UHFFFAOYSA-N	1	1	365.437	2.372	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)N(C)c2ccccc2)CC1	ZINC000364514771	555327299	/nfs/dbraw/zinc/32/72/99/555327299.db2.gz	VOJBIZLVORANHR-NRFANRHFSA-N	1	1	370.497	2.416	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)c1	ZINC000364863605	555418857	/nfs/dbraw/zinc/41/88/57/555418857.db2.gz	SWGIANPQNPLPGD-QFIPXVFZSA-N	1	1	363.461	2.244	20	30		FEEDMO
C=CCC1(C(=O)NCc2c(C)nn(C)c2N2CCC[N@@H+](C)CC2)CCC1	ZINC000365090844	555482925	/nfs/dbraw/zinc/48/29/25/555482925.db2.gz	LUVGUXQJOBANMA-UHFFFAOYSA-N	1	1	359.518	2.233	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@](C)(CC(=O)OC)c1cccc(F)c1	ZINC000513138144	561926695	/nfs/dbraw/zinc/92/66/95/561926695.db2.gz	DRLBHEWQGWUMCU-IFXJQAMLSA-N	1	1	363.433	2.202	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)n1	ZINC000365310887	555538837	/nfs/dbraw/zinc/53/88/37/555538837.db2.gz	PNFKDHVDESEURM-UHFFFAOYSA-N	1	1	365.481	2.485	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NCc1cccc(C#N)c1	ZINC000365336491	555546391	/nfs/dbraw/zinc/54/63/91/555546391.db2.gz	MXYVGVVWHDININ-ATZDWAIDSA-N	1	1	356.470	2.247	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)C2(CO)CC2)c1C#N	ZINC000513155860	561927444	/nfs/dbraw/zinc/92/74/44/561927444.db2.gz	YKMWMZMDDKHZKL-UHFFFAOYSA-N	1	1	370.453	2.403	20	30		FEEDMO
C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1	ZINC000365534194	555601574	/nfs/dbraw/zinc/60/15/74/555601574.db2.gz	FKJUILUIZBMJQC-NSISKUIASA-N	1	1	356.466	2.318	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000365656304	555633947	/nfs/dbraw/zinc/63/39/47/555633947.db2.gz	HFJJUCQQOAWTGW-UHFFFAOYSA-N	1	1	369.469	2.075	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1	ZINC000365925478	555702563	/nfs/dbraw/zinc/70/25/63/555702563.db2.gz	WYSOPOYUAYPTFY-SJLPKXTDSA-N	1	1	367.497	2.405	20	30		FEEDMO
Cc1cccc(NC2CCN(C(=O)C(=O)Nc3ccc(C#N)cc3)CC2)[nH+]1	ZINC000366222637	555786143	/nfs/dbraw/zinc/78/61/43/555786143.db2.gz	OAARSRXSHNDEFH-UHFFFAOYSA-N	1	1	363.421	2.303	20	30		FEEDMO
CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000366232710	555788275	/nfs/dbraw/zinc/78/82/75/555788275.db2.gz	GXEIVJCUYLRLHN-RTBURBONSA-N	1	1	356.470	2.343	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4cc[nH]n4)o3)C2=O)cc1	ZINC000366836509	555947128	/nfs/dbraw/zinc/94/71/28/555947128.db2.gz	NKBMTHHBEPHAEV-GOSISDBHSA-N	1	1	361.405	2.432	20	30		FEEDMO
N#C[C@@]1(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CCc2ccccc2C1	ZINC000367699568	556117900	/nfs/dbraw/zinc/11/79/00/556117900.db2.gz	QYVMDKLSZQYWJF-PZJWPPBQSA-N	1	1	355.482	2.038	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCC(C)(C)C#N)C[C@@H]2[C@@H]1c1ccccc1	ZINC000367708605	556119798	/nfs/dbraw/zinc/11/97/98/556119798.db2.gz	VFRYSNKGNLUDBW-SQNIBIBYSA-N	1	1	361.511	2.491	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[N@H+]4CCC[C@H]4C3)C2)c(F)c1	ZINC000367721692	556122886	/nfs/dbraw/zinc/12/28/86/556122886.db2.gz	RFPRSFIPAOOIEP-IRXDYDNUSA-N	1	1	356.445	2.220	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1	ZINC000367744622	556128398	/nfs/dbraw/zinc/12/83/98/556128398.db2.gz	DEQYQFVIKURMLT-MRXNPFEDSA-N	1	1	359.451	2.342	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1	ZINC000368066893	556208912	/nfs/dbraw/zinc/20/89/12/556208912.db2.gz	ZOZSBBILDBONMJ-VDZJLULYSA-N	1	1	363.889	2.402	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1	ZINC000368066893	556208914	/nfs/dbraw/zinc/20/89/14/556208914.db2.gz	ZOZSBBILDBONMJ-VDZJLULYSA-N	1	1	363.889	2.402	20	30		FEEDMO
N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1	ZINC000368068772	556209905	/nfs/dbraw/zinc/20/99/05/556209905.db2.gz	BZWNJXVZMIYVCI-KRWDZBQOSA-N	1	1	353.401	2.120	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1	ZINC000368803527	556417299	/nfs/dbraw/zinc/41/72/99/556417299.db2.gz	CZUALPYAGOFSGD-OXQOHEQNSA-N	1	1	362.518	2.202	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1	ZINC000368803527	556417302	/nfs/dbraw/zinc/41/73/02/556417302.db2.gz	CZUALPYAGOFSGD-OXQOHEQNSA-N	1	1	362.518	2.202	20	30		FEEDMO
COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1OCCCC#N	ZINC000368976609	556465345	/nfs/dbraw/zinc/46/53/45/556465345.db2.gz	XTCSNDAIHJFERV-FRQCXROJSA-N	1	1	357.454	2.464	20	30		FEEDMO
CC(C)(C#N)CCC[N@H+]1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1	ZINC000369030790	556482032	/nfs/dbraw/zinc/48/20/32/556482032.db2.gz	MZOPBURCYUHCIC-QGZVFWFLSA-N	1	1	373.501	2.047	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1	ZINC000369179547	556527282	/nfs/dbraw/zinc/52/72/82/556527282.db2.gz	SXCREYVYZCJENQ-WFASDCNBSA-N	1	1	351.497	2.257	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O	ZINC000369378066	556585001	/nfs/dbraw/zinc/58/50/01/556585001.db2.gz	POQNCMDYTGJMMC-BXVXDWSXSA-N	1	1	371.481	2.423	20	30		FEEDMO
Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc1	ZINC000516172156	562033817	/nfs/dbraw/zinc/03/38/17/562033817.db2.gz	GSEOQQYCGICYQY-MRXNPFEDSA-N	1	1	351.410	2.139	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1	ZINC000369662217	556662608	/nfs/dbraw/zinc/66/26/08/556662608.db2.gz	GOHBKXWOESVTOZ-OQIJWPOYSA-N	1	1	360.502	2.291	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCCc1cccc(C#N)c1	ZINC000369873671	556718307	/nfs/dbraw/zinc/71/83/07/556718307.db2.gz	MOEGGCXBTQMTDH-UXPWSPDFSA-N	1	1	370.497	2.289	20	30		FEEDMO
N#Cc1ccccc1OCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000516562555	562048229	/nfs/dbraw/zinc/04/82/29/562048229.db2.gz	JNQFRYITWJCUBN-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
CCCn1nc2c(cc1=O)C[N@H+](CCCOc1cccc(C#N)c1)CC2	ZINC000370565819	556910099	/nfs/dbraw/zinc/91/00/99/556910099.db2.gz	OFNUGAKFZBWYHJ-UHFFFAOYSA-N	1	1	352.438	2.352	20	30		FEEDMO
Cn1cc([C@@H]2[C@H](CNC(=O)CCc3ccc(C#N)cc3)CCC[N@H+]2C)cn1	ZINC000370905502	557010399	/nfs/dbraw/zinc/01/03/99/557010399.db2.gz	PSIDMGXHFBKIMD-RXVVDRJESA-N	1	1	365.481	2.424	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(CC#N)c2)CC1=O	ZINC000517014115	562071106	/nfs/dbraw/zinc/07/11/06/562071106.db2.gz	IVUINMMPQUUSMJ-AEFFLSMTSA-N	1	1	354.454	2.024	20	30		FEEDMO
O=C(NCC#Cc1cccc(F)c1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1	ZINC000517248093	562082545	/nfs/dbraw/zinc/08/25/45/562082545.db2.gz	MDLLHJLAHYZVTH-NRFANRHFSA-N	1	1	366.436	2.491	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000371292793	557134040	/nfs/dbraw/zinc/13/40/40/557134040.db2.gz	RXJHFNYLOXAMGY-KXBFYZLASA-N	1	1	367.453	2.482	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1Cl	ZINC000371298405	557136573	/nfs/dbraw/zinc/13/65/73/557136573.db2.gz	VKUJQYWRGALCIB-XJKSGUPXSA-N	1	1	360.845	2.141	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC=C(c2ccnc3[nH]ccc32)CC1	ZINC000371477800	557193691	/nfs/dbraw/zinc/19/36/91/557193691.db2.gz	PGMLKQWJVGVAEN-UHFFFAOYSA-N	1	1	362.437	2.308	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC=C(c2ccnc3[nH]ccc32)CC1	ZINC000371477800	557193693	/nfs/dbraw/zinc/19/36/93/557193693.db2.gz	PGMLKQWJVGVAEN-UHFFFAOYSA-N	1	1	362.437	2.308	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC000371572000	557226355	/nfs/dbraw/zinc/22/63/55/557226355.db2.gz	VTFRYIWLSPQDQR-OAHLLOKOSA-N	1	1	372.494	2.328	20	30		FEEDMO
C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000518689016	562116537	/nfs/dbraw/zinc/11/65/37/562116537.db2.gz	GJIGYYGCZZFYNM-LIVBEALHSA-N	1	1	354.454	2.341	20	30		FEEDMO
N#C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2)C[C@]12C(=O)Nc1ccccc12	ZINC000372229634	557416175	/nfs/dbraw/zinc/41/61/75/557416175.db2.gz	XRSDOJDQDLGBNW-BTYIYWSLSA-N	1	1	360.417	2.361	20	30		FEEDMO
N#C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2)C[C@]12C(=O)Nc1ccccc12	ZINC000372229634	557416176	/nfs/dbraw/zinc/41/61/76/557416176.db2.gz	XRSDOJDQDLGBNW-BTYIYWSLSA-N	1	1	360.417	2.361	20	30		FEEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1)CC(F)(F)F	ZINC000519156732	562126104	/nfs/dbraw/zinc/12/61/04/562126104.db2.gz	IUQOPZMLJDGWSC-ZDUSSCGKSA-N	1	1	366.391	2.307	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1c1cccnc1	ZINC000372432202	557469003	/nfs/dbraw/zinc/46/90/03/557469003.db2.gz	SHRNRYPESMTFPB-OALUTQOASA-N	1	1	370.478	2.066	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C	ZINC000372478312	557480987	/nfs/dbraw/zinc/48/09/87/557480987.db2.gz	QBXIMHMMHYDTLH-INDMIFKZSA-N	1	1	351.535	2.279	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C	ZINC000372478312	557480990	/nfs/dbraw/zinc/48/09/90/557480990.db2.gz	QBXIMHMMHYDTLH-INDMIFKZSA-N	1	1	351.535	2.279	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1	ZINC000372621624	557523384	/nfs/dbraw/zinc/52/33/84/557523384.db2.gz	SJQVXWGXBKZFKX-INIZCTEOSA-N	1	1	367.453	2.371	20	30		FEEDMO
N#Cc1cccc(CNC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000372728954	557548702	/nfs/dbraw/zinc/54/87/02/557548702.db2.gz	JZAGAZPNEVRTEM-UYAOXDASSA-N	1	1	352.482	2.123	20	30		FEEDMO
C=CCN(C(=O)c1cccc(=O)n1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372878469	557581356	/nfs/dbraw/zinc/58/13/56/557581356.db2.gz	GSBHXBVCADWMSA-SFHVURJKSA-N	1	1	351.450	2.288	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CCCO1	ZINC000372894317	557583966	/nfs/dbraw/zinc/58/39/66/557583966.db2.gz	ZCDPBVVPUTZLGX-UTKZUKDTSA-N	1	1	355.482	2.302	20	30		FEEDMO
CCN1CCC(N(CCS(=O)(=O)c2cccc(C#N)c2)C2CC2)CC1	ZINC000373224413	557653266	/nfs/dbraw/zinc/65/32/66/557653266.db2.gz	TYVWUPBPQJARGP-UHFFFAOYSA-N	1	1	361.511	2.281	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1cc(C#N)ccc1F	ZINC000373270977	557662450	/nfs/dbraw/zinc/66/24/50/557662450.db2.gz	OLZRCGCFCKRTOU-AWEZNQCLSA-N	1	1	360.433	2.092	20	30		FEEDMO
C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc2c(c1)OCCO2	ZINC000520172838	562149939	/nfs/dbraw/zinc/14/99/39/562149939.db2.gz	GDHQSTJGRHAFOJ-UHFFFAOYSA-N	1	1	351.406	2.078	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc2c(c1)OCCO2	ZINC000520172838	562149940	/nfs/dbraw/zinc/14/99/40/562149940.db2.gz	GDHQSTJGRHAFOJ-UHFFFAOYSA-N	1	1	351.406	2.078	20	30		FEEDMO
COCC[N@H+]1CCCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1	ZINC000520407192	562155737	/nfs/dbraw/zinc/15/57/37/562155737.db2.gz	SFRQPMYPVKIASA-UHFFFAOYSA-N	1	1	374.510	2.347	20	30		FEEDMO
C#CCC1(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CCCCC1	ZINC000373750384	557751177	/nfs/dbraw/zinc/75/11/77/557751177.db2.gz	HCFSFDZOJPEBPA-UHFFFAOYSA-N	1	1	373.541	2.363	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCCC[C@H](CO)C1	ZINC000374049454	557813973	/nfs/dbraw/zinc/81/39/73/557813973.db2.gz	KAHKHZUHZDUABQ-SJORKVTESA-N	1	1	359.470	2.425	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000520847496	562164977	/nfs/dbraw/zinc/16/49/77/562164977.db2.gz	DLPAYBYNHDUFKH-WFASDCNBSA-N	1	1	351.834	2.193	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000520847496	562164978	/nfs/dbraw/zinc/16/49/78/562164978.db2.gz	DLPAYBYNHDUFKH-WFASDCNBSA-N	1	1	351.834	2.193	20	30		FEEDMO
C=CCN(C(=O)NCC[N@H+](C)C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000520923320	562166085	/nfs/dbraw/zinc/16/60/85/562166085.db2.gz	KMHSIEKGBFQXQF-INIZCTEOSA-N	1	1	371.489	2.261	20	30		FEEDMO
CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000374333345	557867121	/nfs/dbraw/zinc/86/71/21/557867121.db2.gz	UOUFMUSSMUUXPQ-FQELHTAISA-N	1	1	366.465	2.121	20	30		FEEDMO
Cc1ccc(OC2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)nc1	ZINC000374667399	557914538	/nfs/dbraw/zinc/91/45/38/557914538.db2.gz	ZGHHABSZNULIEG-UHFFFAOYSA-N	1	1	364.449	2.421	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1	ZINC000374742696	557924260	/nfs/dbraw/zinc/92/42/60/557924260.db2.gz	KEYKMJRDOBKWQE-LJQANCHMSA-N	1	1	359.433	2.471	20	30		FEEDMO
N#Cc1cc(Cl)ccc1S(=O)(=O)NCc1c[nH+]c2n1CCCC2	ZINC000375105195	557978834	/nfs/dbraw/zinc/97/88/34/557978834.db2.gz	KXSKTXQHVTYTTL-UHFFFAOYSA-N	1	1	350.831	2.223	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1CCc2n[nH]nc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375444865	558028400	/nfs/dbraw/zinc/02/84/00/558028400.db2.gz	ZZWVIVIZBYEKLF-QZTJIDSGSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1CCc2[nH]nnc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000375444865	558028402	/nfs/dbraw/zinc/02/84/02/558028402.db2.gz	ZZWVIVIZBYEKLF-QZTJIDSGSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1CCc2[nH]nnc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375444865	558028404	/nfs/dbraw/zinc/02/84/04/558028404.db2.gz	ZZWVIVIZBYEKLF-QZTJIDSGSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1CCc2nn[nH]c2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000375444865	558028405	/nfs/dbraw/zinc/02/84/05/558028405.db2.gz	ZZWVIVIZBYEKLF-QZTJIDSGSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1CCc2nn[nH]c2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375444865	558028407	/nfs/dbraw/zinc/02/84/07/558028407.db2.gz	ZZWVIVIZBYEKLF-QZTJIDSGSA-N	1	1	365.481	2.199	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2Cl)C[C@H]1C(=O)N1CCOCC1	ZINC000375527407	558043377	/nfs/dbraw/zinc/04/33/77/558043377.db2.gz	APDYCUJDWUDEQD-IUODEOHRSA-N	1	1	365.836	2.277	20	30		FEEDMO
CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)[C@H](C)CC#N	ZINC000375705736	558070471	/nfs/dbraw/zinc/07/04/71/558070471.db2.gz	HNIOYINOPOOPCH-SJLPKXTDSA-N	1	1	364.515	2.062	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000375748697	558076585	/nfs/dbraw/zinc/07/65/85/558076585.db2.gz	JOYAYTZWFWGNHV-MTQWCTHYSA-N	1	1	358.482	2.109	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000375748696	558076616	/nfs/dbraw/zinc/07/66/16/558076616.db2.gz	JOYAYTZWFWGNHV-IYWMVGAKSA-N	1	1	358.482	2.109	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@@H]21	ZINC000376075043	558123321	/nfs/dbraw/zinc/12/33/21/558123321.db2.gz	KYDTYTDXLGFHDJ-JXFKEZNVSA-N	1	1	370.472	2.466	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1=O	ZINC000376128294	558130496	/nfs/dbraw/zinc/13/04/96/558130496.db2.gz	DWODPJOXUOCEDB-UHOSZYNNSA-N	1	1	370.497	2.078	20	30		FEEDMO
CC(C)c1[nH+]ccn1[C@H]1CCCN(c2cc(S(N)(=O)=O)ccc2C#N)C1	ZINC000376189960	558138747	/nfs/dbraw/zinc/13/87/47/558138747.db2.gz	WNXSAGDEKKEALX-HNNXBMFYSA-N	1	1	373.482	2.367	20	30		FEEDMO
N#CC1CCC(CNC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1	ZINC000376388212	558166758	/nfs/dbraw/zinc/16/67/58/558166758.db2.gz	SGONLVCZQYWILM-TZJYRCSTSA-N	1	1	370.497	2.251	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000376837118	558228080	/nfs/dbraw/zinc/22/80/80/558228080.db2.gz	ROAWPSMZMPSBLF-DOTOQJQBSA-N	1	1	358.442	2.141	20	30		FEEDMO
CC1(C#N)CC[NH+](CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CC1	ZINC000376847255	558229337	/nfs/dbraw/zinc/22/93/37/558229337.db2.gz	VQTTYDDSKDBTNQ-UHFFFAOYSA-N	1	1	374.529	2.253	20	30		FEEDMO
CC1(C)C[NH+](CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1	ZINC000521898126	562185959	/nfs/dbraw/zinc/18/59/59/562185959.db2.gz	RQAGEMHFAXDBKU-KRWDZBQOSA-N	1	1	360.889	2.391	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c(F)c1	ZINC000377166384	558280105	/nfs/dbraw/zinc/28/01/05/558280105.db2.gz	ZOUAJNNOOCJSCG-YESZJQIVSA-N	1	1	356.445	2.267	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000377268763	558302655	/nfs/dbraw/zinc/30/26/55/558302655.db2.gz	UYAGMCQNWSVNSI-IBGZPJMESA-N	1	1	361.449	2.455	20	30		FEEDMO
CCCC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000522418467	562198263	/nfs/dbraw/zinc/19/82/63/562198263.db2.gz	UHQDETFBBAUWJZ-IAGOWNOFSA-N	1	1	362.518	2.346	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1	ZINC000377670970	558392344	/nfs/dbraw/zinc/39/23/44/558392344.db2.gz	JESCDWZDBFXYLN-ILXRZTDVSA-N	1	1	372.494	2.087	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1	ZINC000377670970	558392347	/nfs/dbraw/zinc/39/23/47/558392347.db2.gz	JESCDWZDBFXYLN-ILXRZTDVSA-N	1	1	372.494	2.087	20	30		FEEDMO
CC(C)(C#N)CCS(=O)(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1	ZINC000377835729	558432240	/nfs/dbraw/zinc/43/22/40/558432240.db2.gz	WAZZWDSDTXZAAW-ZWKOTPCHSA-N	1	1	361.511	2.462	20	30		FEEDMO
Cc1cc(C2=CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC2)cc([N+](=O)[O-])c1N	ZINC000377931882	558449248	/nfs/dbraw/zinc/44/92/48/558449248.db2.gz	LTJRZYMVFHAKGX-CQSZACIVSA-N	1	1	371.441	2.335	20	30		FEEDMO
Cc1cc(C2=CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)CC2)cc([N+](=O)[O-])c1N	ZINC000377931882	558449252	/nfs/dbraw/zinc/44/92/52/558449252.db2.gz	LTJRZYMVFHAKGX-CQSZACIVSA-N	1	1	371.441	2.335	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)OCC	ZINC000378311677	558526887	/nfs/dbraw/zinc/52/68/87/558526887.db2.gz	JDQMAQAUDDEQKK-LJQANCHMSA-N	1	1	351.535	2.375	20	30		FEEDMO
CC(=O)Nc1ccc(C[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1	ZINC000378374815	558543135	/nfs/dbraw/zinc/54/31/35/558543135.db2.gz	WPDSDARZKJVIQU-HRAATJIYSA-N	1	1	360.417	2.490	20	30		FEEDMO
CC(=O)Nc1ccc(C[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)cc1	ZINC000378374815	558543137	/nfs/dbraw/zinc/54/31/37/558543137.db2.gz	WPDSDARZKJVIQU-HRAATJIYSA-N	1	1	360.417	2.490	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)c1	ZINC000378389187	558545680	/nfs/dbraw/zinc/54/56/80/558545680.db2.gz	QOHPQYMWVDTABD-GOSISDBHSA-N	1	1	366.465	2.221	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000523496958	562214359	/nfs/dbraw/zinc/21/43/59/562214359.db2.gz	LNFOWGJIXIZEHN-PBHICJAKSA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000523496958	562214360	/nfs/dbraw/zinc/21/43/60/562214360.db2.gz	LNFOWGJIXIZEHN-PBHICJAKSA-N	1	1	356.451	2.067	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CC1	ZINC000378463436	558563045	/nfs/dbraw/zinc/56/30/45/558563045.db2.gz	QLTOTZZCIKUZED-GCJKJVERSA-N	1	1	368.525	2.075	20	30		FEEDMO
C[C@@H]1C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)N1CCO	ZINC000378568026	558584793	/nfs/dbraw/zinc/58/47/93/558584793.db2.gz	WAOKYHFWPZDBBO-QZTJIDSGSA-N	1	1	367.497	2.351	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)C2)n1	ZINC000408288362	558664195	/nfs/dbraw/zinc/66/41/95/558664195.db2.gz	XKIJDSMFHFQQST-NJAFHUGGSA-N	1	1	355.486	2.077	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C1CC1	ZINC000410083661	558737837	/nfs/dbraw/zinc/73/78/37/558737837.db2.gz	BTVXJQBVRDPEQC-UHFFFAOYSA-N	1	1	361.389	2.340	20	30		FEEDMO
C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1=O	ZINC000410122033	558739841	/nfs/dbraw/zinc/73/98/41/558739841.db2.gz	UQJKVAONQTUKCA-MSOLQXFVSA-N	1	1	359.445	2.035	20	30		FEEDMO
C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1=O	ZINC000410122033	558739845	/nfs/dbraw/zinc/73/98/45/558739845.db2.gz	UQJKVAONQTUKCA-MSOLQXFVSA-N	1	1	359.445	2.035	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC[N@@H+]1Cc1ccccc1	ZINC000410922081	558824153	/nfs/dbraw/zinc/82/41/53/558824153.db2.gz	BGVZEKAVIAFSII-IEBWSBKVSA-N	1	1	370.497	2.118	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC[N@H+]1Cc1ccccc1	ZINC000410922081	558824154	/nfs/dbraw/zinc/82/41/54/558824154.db2.gz	BGVZEKAVIAFSII-IEBWSBKVSA-N	1	1	370.497	2.118	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1	ZINC000411638360	558933458	/nfs/dbraw/zinc/93/34/58/558933458.db2.gz	HELXNWXVLMFFLC-UHFFFAOYSA-N	1	1	358.442	2.062	20	30		FEEDMO
CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000411937021	558991036	/nfs/dbraw/zinc/99/10/36/558991036.db2.gz	GDIGMJSBFHHEET-CYBMUJFWSA-N	1	1	374.510	2.237	20	30		FEEDMO
CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000411937021	558991040	/nfs/dbraw/zinc/99/10/40/558991040.db2.gz	GDIGMJSBFHHEET-CYBMUJFWSA-N	1	1	374.510	2.237	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c1	ZINC000411954840	558994396	/nfs/dbraw/zinc/99/43/96/558994396.db2.gz	PUDHAKBAAOASFL-QZTJIDSGSA-N	1	1	370.497	2.349	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000411958637	558995346	/nfs/dbraw/zinc/99/53/46/558995346.db2.gz	CFHDEXWCZDLTBI-NRFANRHFSA-N	1	1	365.433	2.075	20	30		FEEDMO
C[C@@H]1[C@H](CO)CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000412100280	559013482	/nfs/dbraw/zinc/01/34/82/559013482.db2.gz	XEOJJCXTJBIWEJ-ZBFHGGJFSA-N	1	1	368.399	2.266	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1	ZINC000526058000	562265397	/nfs/dbraw/zinc/26/53/97/562265397.db2.gz	WNNOHXZPFJMKRO-HNNXBMFYSA-N	1	1	359.445	2.146	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H](O)COc2cc(Br)ccc2C#N)C[C@@H](C)O1	ZINC000414132582	559150414	/nfs/dbraw/zinc/15/04/14/559150414.db2.gz	ATDUDEHTGKSONB-JMSVASOKSA-N	1	1	369.259	2.170	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](Cc2ccc(C(F)(F)F)c(C)c2)CC1	ZINC000414375045	559159466	/nfs/dbraw/zinc/15/94/66/559159466.db2.gz	XNGBUEURRANTPW-UHFFFAOYSA-N	1	1	355.404	2.434	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2cncc(C#N)c2)c1	ZINC000414475854	559167530	/nfs/dbraw/zinc/16/75/30/559167530.db2.gz	YRSAPAPFUKPJLR-UHFFFAOYSA-N	1	1	358.467	2.272	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)[N@@H+](C)C1CC1	ZINC000416389248	559309465	/nfs/dbraw/zinc/30/94/65/559309465.db2.gz	PBHROOHPJOCKLO-JTQLQIEISA-N	1	1	372.288	2.082	20	30		FEEDMO
C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000416822175	559333908	/nfs/dbraw/zinc/33/39/08/559333908.db2.gz	VEJGLRFDQMRRPN-VXGBXAGGSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000416822175	559333909	/nfs/dbraw/zinc/33/39/09/559333909.db2.gz	VEJGLRFDQMRRPN-VXGBXAGGSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@@H](CCCC[NH3+])NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000418686854	559411243	/nfs/dbraw/zinc/41/12/43/559411243.db2.gz	CSQXAESKWBUVQV-KRWDZBQOSA-N	1	1	357.502	2.293	20	30		FEEDMO
N#CC1(CNC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CCC1	ZINC000419420651	559441293	/nfs/dbraw/zinc/44/12/93/559441293.db2.gz	KBDNLGNNRJRBJY-UHFFFAOYSA-N	1	1	369.513	2.187	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)C[C@@H]1CCC[N@H+]1C	ZINC000420993748	559518222	/nfs/dbraw/zinc/51/82/22/559518222.db2.gz	BAJGJCJKGLHVDT-IRXDYDNUSA-N	1	1	358.486	2.356	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2CC[N@@H+](C)CC[C@@H]2C)c(C#N)cn1CC	ZINC000421178296	559529252	/nfs/dbraw/zinc/52/92/52/559529252.db2.gz	WXXZRXOSNUNHEV-ZDUSSCGKSA-N	1	1	361.446	2.114	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000527295466	562284050	/nfs/dbraw/zinc/28/40/50/562284050.db2.gz	HYIOVDGRNJUEEC-QGZVFWFLSA-N	1	1	365.481	2.017	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC	ZINC000422310114	559577639	/nfs/dbraw/zinc/57/76/39/559577639.db2.gz	VMGRELVLBMNRKN-RTBURBONSA-N	1	1	357.498	2.281	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC(C)(C)CC#N	ZINC000422343176	559580105	/nfs/dbraw/zinc/58/01/05/559580105.db2.gz	SGPJNNMNURFVAA-WMZOPIPTSA-N	1	1	370.497	2.069	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1	ZINC000422422011	559587258	/nfs/dbraw/zinc/58/72/58/559587258.db2.gz	FCUTYASMZGRBMR-QFBILLFUSA-N	1	1	355.482	2.057	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1	ZINC000422492081	559591822	/nfs/dbraw/zinc/59/18/22/559591822.db2.gz	VCZPBHJAKWYEJR-LJQANCHMSA-N	1	1	357.498	2.092	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C	ZINC000422533428	559593342	/nfs/dbraw/zinc/59/33/42/559593342.db2.gz	XHHCEIGMUZFZAF-QRQLOZEOSA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000422547726	559594374	/nfs/dbraw/zinc/59/43/74/559594374.db2.gz	XNWIZNSAROLGTM-WOJBJXKFSA-N	1	1	371.525	2.480	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000424500596	559667657	/nfs/dbraw/zinc/66/76/57/559667657.db2.gz	JTKXZZMARBEFDB-JFRXWTBNSA-N	1	1	350.503	2.315	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000425529358	559708065	/nfs/dbraw/zinc/70/80/65/559708065.db2.gz	BHEMHUKHUMNHBK-XLIONFOSSA-N	1	1	367.497	2.243	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000425529358	559708066	/nfs/dbraw/zinc/70/80/66/559708066.db2.gz	BHEMHUKHUMNHBK-XLIONFOSSA-N	1	1	367.497	2.243	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)NC(=O)NCC(F)(F)F	ZINC000425531800	559708133	/nfs/dbraw/zinc/70/81/33/559708133.db2.gz	ICAGNULGSGCRHP-LLVKDONJSA-N	1	1	356.348	2.329	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N1CCN(Cc2ccco2)CC1	ZINC000425539643	559708564	/nfs/dbraw/zinc/70/85/64/559708564.db2.gz	UDNKISVWGWLQPD-QGZVFWFLSA-N	1	1	366.465	2.488	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CCN(Cc2ccco2)CC1	ZINC000425539643	559708565	/nfs/dbraw/zinc/70/85/65/559708565.db2.gz	UDNKISVWGWLQPD-QGZVFWFLSA-N	1	1	366.465	2.488	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)C2CCC2)c(C#N)c1C	ZINC000429538839	559800661	/nfs/dbraw/zinc/80/06/61/559800661.db2.gz	ITEFXWRVSSLEEG-CYBMUJFWSA-N	1	1	360.458	2.333	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)C2CCC2)c(C#N)c1C	ZINC000429538839	559800662	/nfs/dbraw/zinc/80/06/62/559800662.db2.gz	ITEFXWRVSSLEEG-CYBMUJFWSA-N	1	1	360.458	2.333	20	30		FEEDMO
CC(=O)N1CCC([N@H+](Cc2cc(C#N)n(C)c2)Cc2cncs2)CC1	ZINC000430193068	559815065	/nfs/dbraw/zinc/81/50/65/559815065.db2.gz	CRDDCSFXAUCDKT-UHFFFAOYSA-N	1	1	357.483	2.366	20	30		FEEDMO
CC(=O)N1CCC([N@@H+](Cc2cc(C#N)n(C)c2)Cc2cncs2)CC1	ZINC000430193068	559815066	/nfs/dbraw/zinc/81/50/66/559815066.db2.gz	CRDDCSFXAUCDKT-UHFFFAOYSA-N	1	1	357.483	2.366	20	30		FEEDMO
C=CCNC(=O)Nc1ccc(NC(=O)CCCN2CCC([NH3+])CC2)cc1	ZINC000433168344	559872897	/nfs/dbraw/zinc/87/28/97/559872897.db2.gz	MMHLFDLHWTYXRU-UHFFFAOYSA-N	1	1	359.474	2.136	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C	ZINC000435155389	559917351	/nfs/dbraw/zinc/91/73/51/559917351.db2.gz	LAPPDHHIFWHBAD-ZYHUDNBSSA-N	1	1	361.389	2.338	20	30		FEEDMO
N#CCCCn1cc(C(=O)NCCC[NH+]2CCOCC2)c2ccccc21	ZINC000436469512	559942163	/nfs/dbraw/zinc/94/21/63/559942163.db2.gz	MQZNETQHGWTYFS-UHFFFAOYSA-N	1	1	354.454	2.397	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000437625559	559967032	/nfs/dbraw/zinc/96/70/32/559967032.db2.gz	PDGWBLNKLCLEKB-VQTJNVASSA-N	1	1	373.497	2.299	20	30		FEEDMO
CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@@H+](CCOc2ccccc2C#N)C1	ZINC000440537327	560014072	/nfs/dbraw/zinc/01/40/72/560014072.db2.gz	YZHPAWZHNYYGBQ-FQEVSTJZSA-N	1	1	359.470	2.333	20	30		FEEDMO
CCOc1ccccc1CN1CC[N@@H+](CCC(=O)N(C)CCC#N)[C@H](C)C1	ZINC000441333272	560028773	/nfs/dbraw/zinc/02/87/73/560028773.db2.gz	TZJDBXATPROXGT-GOSISDBHSA-N	1	1	372.513	2.354	20	30		FEEDMO
N#Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)cc1O	ZINC000443278796	560077635	/nfs/dbraw/zinc/07/76/35/560077635.db2.gz	XHVMFUUCVMNIAF-UHFFFAOYSA-N	1	1	351.406	2.473	20	30		FEEDMO
C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000443321230	560079640	/nfs/dbraw/zinc/07/96/40/560079640.db2.gz	PTRHTBYUYLFNAX-RVKKMQEKSA-N	1	1	367.453	2.164	20	30		FEEDMO
C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000443321230	560079641	/nfs/dbraw/zinc/07/96/41/560079641.db2.gz	PTRHTBYUYLFNAX-RVKKMQEKSA-N	1	1	367.453	2.164	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1	ZINC000444732883	560119253	/nfs/dbraw/zinc/11/92/53/560119253.db2.gz	WVTZJYZIJPKDCG-MGPQQGTHSA-N	1	1	361.408	2.353	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1	ZINC000444732883	560119254	/nfs/dbraw/zinc/11/92/54/560119254.db2.gz	WVTZJYZIJPKDCG-MGPQQGTHSA-N	1	1	361.408	2.353	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](O)C(C)(C)C2)cc1	ZINC000446069978	560139127	/nfs/dbraw/zinc/13/91/27/560139127.db2.gz	MFWXTFDYXAWNJA-GOSISDBHSA-N	1	1	359.470	2.425	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](O)C(C)(C)C2)cc1	ZINC000446069978	560139128	/nfs/dbraw/zinc/13/91/28/560139128.db2.gz	MFWXTFDYXAWNJA-GOSISDBHSA-N	1	1	359.470	2.425	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000450070509	560249888	/nfs/dbraw/zinc/24/98/88/560249888.db2.gz	ZRRWVMAABHETLO-JFRXWTBNSA-N	1	1	350.503	2.315	20	30		FEEDMO
C[C@@H]1[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC[N@H+]1C	ZINC000450559065	560266136	/nfs/dbraw/zinc/26/61/36/560266136.db2.gz	XJUKLYHBRHYKMI-HACGYAERSA-N	1	1	374.872	2.163	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)CC1	ZINC000450749588	560272140	/nfs/dbraw/zinc/27/21/40/560272140.db2.gz	YXGLCHQEVONCMB-IBGZPJMESA-N	1	1	369.513	2.341	20	30		FEEDMO
C=CCOc1ccc(CC(=O)NC2CCN(c3[nH+]ccn3C)CC2)cc1	ZINC000451143686	560289681	/nfs/dbraw/zinc/28/96/81/560289681.db2.gz	XKKZPDXLPMQDEI-UHFFFAOYSA-N	1	1	354.454	2.313	20	30		FEEDMO
CC(C)(CC#N)CS(=O)(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000451162865	560290619	/nfs/dbraw/zinc/29/06/19/560290619.db2.gz	AWBPHBKAMKQOAF-GOSISDBHSA-N	1	1	363.527	2.410	20	30		FEEDMO
CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451195130	560292443	/nfs/dbraw/zinc/29/24/43/560292443.db2.gz	XCWVQOUYOGYZFZ-CQSZACIVSA-N	1	1	353.875	2.263	20	30		FEEDMO
CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451195130	560292444	/nfs/dbraw/zinc/29/24/44/560292444.db2.gz	XCWVQOUYOGYZFZ-CQSZACIVSA-N	1	1	353.875	2.263	20	30		FEEDMO
CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451203012	560292908	/nfs/dbraw/zinc/29/29/08/560292908.db2.gz	OVGOBKUQYLSSCS-AWEZNQCLSA-N	1	1	355.891	2.368	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1	ZINC000451214740	560293598	/nfs/dbraw/zinc/29/35/98/560293598.db2.gz	XUJHOJMCNLSGMW-JKSUJKDBSA-N	1	1	362.518	2.331	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)C1	ZINC000451290558	560298355	/nfs/dbraw/zinc/29/83/55/560298355.db2.gz	ZJCCHPDVVSLBOK-AWEZNQCLSA-N	1	1	355.891	2.368	20	30		FEEDMO
C[C@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[N@@H+](Cc2ccccc2)C1	ZINC000451714266	560324162	/nfs/dbraw/zinc/32/41/62/560324162.db2.gz	VBGAWKMQLFKWEE-LJQANCHMSA-N	1	1	367.497	2.096	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[S@](=O)C(C)(C)CC1	ZINC000451753250	560326556	/nfs/dbraw/zinc/32/65/56/560326556.db2.gz	AMMTUSMQIIEKEF-XDHUDOTRSA-N	1	1	351.512	2.388	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[S@](=O)C(C)(C)CC1	ZINC000451753250	560326557	/nfs/dbraw/zinc/32/65/57/560326557.db2.gz	AMMTUSMQIIEKEF-XDHUDOTRSA-N	1	1	351.512	2.388	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@@H+](Cc2ccccc2)C1	ZINC000451921637	560337519	/nfs/dbraw/zinc/33/75/19/560337519.db2.gz	CONDLMRZQPJYBX-QGZVFWFLSA-N	1	1	361.511	2.464	20	30		FEEDMO
C=CCn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](CCOCC)[C@@H](CC)C1	ZINC000453424037	560386365	/nfs/dbraw/zinc/38/63/65/560386365.db2.gz	GOBPINICIGFJGA-IRXDYDNUSA-N	1	1	363.506	2.253	20	30		FEEDMO
C=CCn1c(N2CC[N@H+](CCOCC)[C@@H](C)C2)nnc1[C@]1(C)CCCO1	ZINC000453448034	560386797	/nfs/dbraw/zinc/38/67/97/560386797.db2.gz	XTCVSKHABULROR-LPHOPBHVSA-N	1	1	363.506	2.037	20	30		FEEDMO
C=CCn1c(N2CC[N@H+](CCOCC)[C@H](C)C2)nnc1[C@]1(C)CCCO1	ZINC000453448032	560386805	/nfs/dbraw/zinc/38/68/05/560386805.db2.gz	XTCVSKHABULROR-APWZRJJASA-N	1	1	363.506	2.037	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453610962	560391193	/nfs/dbraw/zinc/39/11/93/560391193.db2.gz	RFRPYALEAAARTL-ZDUSSCGKSA-N	1	1	362.861	2.335	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@H](C)C1	ZINC000453754215	560401766	/nfs/dbraw/zinc/40/17/66/560401766.db2.gz	VWRICUZEKIEECX-CQSZACIVSA-N	1	1	372.469	2.227	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@H](C)C1	ZINC000453754215	560401767	/nfs/dbraw/zinc/40/17/67/560401767.db2.gz	VWRICUZEKIEECX-CQSZACIVSA-N	1	1	372.469	2.227	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000454049627	560424891	/nfs/dbraw/zinc/42/48/91/560424891.db2.gz	CNTDSFXSSYSFHK-VQIMIIECSA-N	1	1	373.497	2.300	20	30		FEEDMO
CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000454102150	560429470	/nfs/dbraw/zinc/42/94/70/560429470.db2.gz	OWQPCISOOBEEMO-KRWDZBQOSA-N	1	1	372.469	2.249	20	30		FEEDMO
CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000454110141	560430098	/nfs/dbraw/zinc/43/00/98/560430098.db2.gz	UERLAVQBZYYLNG-AWEZNQCLSA-N	1	1	362.861	2.286	20	30		FEEDMO
C[N@@H+](CCCCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C1CC1	ZINC000455109279	560470418	/nfs/dbraw/zinc/47/04/18/560470418.db2.gz	YDRYWHUETHJOJV-UHFFFAOYSA-N	1	1	370.432	2.879	20	30		FEEDMO
C[N@@H+](CCCCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1CC1	ZINC000455109656	560470556	/nfs/dbraw/zinc/47/05/56/560470556.db2.gz	WFKKWOLVCNTODX-UHFFFAOYSA-N	1	1	370.432	2.879	20	30		FEEDMO
C=CC(C)(C)CNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000455360683	560479427	/nfs/dbraw/zinc/47/94/27/560479427.db2.gz	CRBIBHVOMWHIMJ-GOSISDBHSA-N	1	1	372.513	2.395	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccc(C#N)c(F)c2)C[C@@H](C)O1	ZINC000455553331	560486974	/nfs/dbraw/zinc/48/69/74/560486974.db2.gz	ZUGSCWKCEDDRLJ-ZIAGYGMSSA-N	1	1	362.449	2.384	20	30		FEEDMO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]1C	ZINC000455696917	560492205	/nfs/dbraw/zinc/49/22/05/560492205.db2.gz	DEJGTIZMFIYEJO-STQMWFEESA-N	1	1	350.850	2.325	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]1C	ZINC000455696917	560492206	/nfs/dbraw/zinc/49/22/06/560492206.db2.gz	DEJGTIZMFIYEJO-STQMWFEESA-N	1	1	350.850	2.325	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2cnc(C#N)c(Cl)c2)C1	ZINC000455752517	560493831	/nfs/dbraw/zinc/49/38/31/560493831.db2.gz	JEAPXFIOBDSEHU-ZDUSSCGKSA-N	1	1	351.838	2.085	20	30		FEEDMO
CCOCC[N@@H+]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000455793793	560494877	/nfs/dbraw/zinc/49/48/77/560494877.db2.gz	SFFMDURBRHKHQJ-LBPRGKRZSA-N	1	1	351.838	2.181	20	30		FEEDMO
CCOCC[N@H+]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000455793793	560494878	/nfs/dbraw/zinc/49/48/78/560494878.db2.gz	SFFMDURBRHKHQJ-LBPRGKRZSA-N	1	1	351.838	2.181	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000455806325	560495243	/nfs/dbraw/zinc/49/52/43/560495243.db2.gz	YADDCKSSKPDXHJ-HNNXBMFYSA-N	1	1	373.501	2.493	20	30		FEEDMO
CCOC(=O)c1ncn(C2CC[NH+](Cc3cccc(C#N)c3F)CC2)c1N	ZINC000459432664	560685885	/nfs/dbraw/zinc/68/58/85/560685885.db2.gz	UCNILYATEIAECP-UHFFFAOYSA-N	1	1	371.416	2.490	20	30		FEEDMO
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N	ZINC000459466263	560687929	/nfs/dbraw/zinc/68/79/29/560687929.db2.gz	ODIZBBYAFAEZAI-VQIMIIECSA-N	1	1	351.454	2.387	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1	ZINC000459495529	560689669	/nfs/dbraw/zinc/68/96/69/560689669.db2.gz	VADGMKPSNQTVJG-OAHLLOKOSA-N	1	1	360.458	2.437	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000459670654	560701426	/nfs/dbraw/zinc/70/14/26/560701426.db2.gz	VJHVFXFVHGJXIY-AWEZNQCLSA-N	1	1	361.408	2.430	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000459870864	560715268	/nfs/dbraw/zinc/71/52/68/560715268.db2.gz	RKIZBFQPELBEFQ-RDJZCZTQSA-N	1	1	361.511	2.205	20	30		FEEDMO
C=C(C)Cn1c(CC2CC2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1	ZINC000460381843	560743016	/nfs/dbraw/zinc/74/30/16/560743016.db2.gz	AQSSEDGAEZLZOG-UHFFFAOYSA-N	1	1	369.517	2.253	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3C#N)CC2)cc1	ZINC000461939259	560788923	/nfs/dbraw/zinc/78/89/23/560788923.db2.gz	WMMKGFGJIXWVMY-OALUTQOASA-N	1	1	351.454	2.468	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000461958261	560789616	/nfs/dbraw/zinc/78/96/16/560789616.db2.gz	QQYOTQIHXKHMFU-ZHALLVOQSA-N	1	1	355.486	2.189	20	30		FEEDMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000461962830	560789862	/nfs/dbraw/zinc/78/98/62/560789862.db2.gz	XRMFWSTUAKBTOY-PKOBYXMFSA-N	1	1	355.486	2.142	20	30		FEEDMO
CCOCC[N@H+]1CCN(C(=O)NCCc2cccc(C#N)c2)C[C@@H]1CC	ZINC000466822589	560896845	/nfs/dbraw/zinc/89/68/45/560896845.db2.gz	NARUJYCQDFPEBG-IBGZPJMESA-N	1	1	358.486	2.243	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000467022144	560901682	/nfs/dbraw/zinc/90/16/82/560901682.db2.gz	HCFSLQYJDLFONU-LPHOPBHVSA-N	1	1	368.481	2.312	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000467059689	560902585	/nfs/dbraw/zinc/90/25/85/560902585.db2.gz	VNSPNBDZNUNWOD-SUMWQHHRSA-N	1	1	354.454	2.025	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C	ZINC000469998851	560971508	/nfs/dbraw/zinc/97/15/08/560971508.db2.gz	HVHJGAIMBUUTPC-RYUDHWBXSA-N	1	1	361.467	2.320	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1	ZINC000470808765	560990208	/nfs/dbraw/zinc/99/02/08/560990208.db2.gz	UCCAFMQSIXDIRW-HOTGVXAUSA-N	1	1	368.522	2.412	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1	ZINC000472253311	561021892	/nfs/dbraw/zinc/02/18/92/561021892.db2.gz	ATPBWARJPMOWHO-VQTJNVASSA-N	1	1	350.466	2.431	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000473506724	561051442	/nfs/dbraw/zinc/05/14/42/561051442.db2.gz	NOXOYDFCBBZBOG-RBUKOAKNSA-N	1	1	369.513	2.421	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@@H]1C	ZINC000476610405	561124178	/nfs/dbraw/zinc/12/41/78/561124178.db2.gz	WTZWVOBWIVWROU-WMZOPIPTSA-N	1	1	357.454	2.170	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@@H]1C	ZINC000476610405	561124179	/nfs/dbraw/zinc/12/41/79/561124179.db2.gz	WTZWVOBWIVWROU-WMZOPIPTSA-N	1	1	357.454	2.170	20	30		FEEDMO
C[C@H](c1cccnc1)N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1	ZINC000528385579	562326248	/nfs/dbraw/zinc/32/62/48/562326248.db2.gz	CQKMGYWSMASMQF-YLJYHZDGSA-N	1	1	366.465	2.072	20	30		FEEDMO
CCc1cnc(N2CC[NH+](C[C@@H](O)COc3ccccc3C#N)CC2)s1	ZINC000528387049	562326289	/nfs/dbraw/zinc/32/62/89/562326289.db2.gz	CMXCAGGXCXVZFT-MRXNPFEDSA-N	1	1	372.494	2.139	20	30		FEEDMO
COc1cc2c(c(OC)c1OC)CC[N@@H+](C[C@H](O)CC1(C#N)CC1)CC2	ZINC000528406826	562327312	/nfs/dbraw/zinc/32/73/12/562327312.db2.gz	ZGJNXCODVQVHIA-OAHLLOKOSA-N	1	1	360.454	2.168	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](Cc2ccccc2)C1	ZINC000528436295	562329334	/nfs/dbraw/zinc/32/93/34/562329334.db2.gz	AYGKCKDWWPKRPF-WOJBJXKFSA-N	1	1	352.434	2.241	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](Cc2ccccc2)C1	ZINC000528436295	562329335	/nfs/dbraw/zinc/32/93/35/562329335.db2.gz	AYGKCKDWWPKRPF-WOJBJXKFSA-N	1	1	352.434	2.241	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](c2ccccn2)C2CCC2)nc1	ZINC000528660235	562340729	/nfs/dbraw/zinc/34/07/29/562340729.db2.gz	QONVNVYOHCTAQE-GOSISDBHSA-N	1	1	356.451	2.253	20	30		FEEDMO
COCc1ccc(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1C#N	ZINC000529204753	562364506	/nfs/dbraw/zinc/36/45/06/562364506.db2.gz	HMWPXYJHORETDH-UHFFFAOYSA-N	1	1	360.458	2.279	20	30		FEEDMO
COCc1ccc(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1C#N	ZINC000529204753	562364507	/nfs/dbraw/zinc/36/45/07/562364507.db2.gz	HMWPXYJHORETDH-UHFFFAOYSA-N	1	1	360.458	2.279	20	30		FEEDMO
COCc1ccc(NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)cc1C#N	ZINC000529817688	562386577	/nfs/dbraw/zinc/38/65/77/562386577.db2.gz	NUVNKIZIAQIDCW-UHFFFAOYSA-N	1	1	364.409	2.493	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@H](O)C[C@@H]2C)c1C#N	ZINC000530361214	562408205	/nfs/dbraw/zinc/40/82/05/562408205.db2.gz	CBLRFWSQZFVNNM-XJKSGUPXSA-N	1	1	370.453	2.402	20	30		FEEDMO
CC(C)c1ccc(C[NH+]2CCN(C(=O)CN(CC#N)C3CC3)CC2)cc1	ZINC000532267597	562472176	/nfs/dbraw/zinc/47/21/76/562472176.db2.gz	ITOAJDDHRQGCKE-UHFFFAOYSA-N	1	1	354.498	2.442	20	30		FEEDMO
COC[C@@H]1CC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000532583983	562482253	/nfs/dbraw/zinc/48/22/53/562482253.db2.gz	OWYQXIASYOMNQV-OAHLLOKOSA-N	1	1	354.372	2.141	20	30		FEEDMO
C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1	ZINC000533377878	562506859	/nfs/dbraw/zinc/50/68/59/562506859.db2.gz	DAQCARHBKXXYOY-KRWDZBQOSA-N	1	1	373.464	2.413	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000534305914	562530870	/nfs/dbraw/zinc/53/08/70/562530870.db2.gz	LUQIULOZIFRXOM-GOSISDBHSA-N	1	1	373.453	2.391	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000541951503	562624254	/nfs/dbraw/zinc/62/42/54/562624254.db2.gz	GIFHFFXXACVKGF-GOEBONIOSA-N	1	1	357.376	2.383	20	30		FEEDMO
C=C(C)C[C@H](NC(=O)c1sc2c(c1Br)C[NH2+]C2)C(=O)OC	ZINC000602601058	568000567	/nfs/dbraw/zinc/00/05/67/568000567.db2.gz	QOHCDDQBVXFBCT-VIFPVBQESA-N	1	1	373.272	2.351	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000603145963	568067671	/nfs/dbraw/zinc/06/76/71/568067671.db2.gz	OOOVOZWRJQBLEO-FRFSOERESA-N	1	1	371.403	2.119	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)Cn1cc(C[NH+]2CCCC2)nn1	ZINC000603174695	568067904	/nfs/dbraw/zinc/06/79/04/568067904.db2.gz	BNJNASOFJXFABU-UHFFFAOYSA-N	1	1	356.455	2.128	20	30		FEEDMO
Cc1nccc([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)n1	ZINC000603834448	568158797	/nfs/dbraw/zinc/15/87/97/568158797.db2.gz	UGWJHVTVVUIIKF-ZWKOTPCHSA-N	1	1	352.438	2.276	20	30		FEEDMO
COc1cc(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1C#N	ZINC000568821568	568228667	/nfs/dbraw/zinc/22/86/67/568228667.db2.gz	BVXFNFJIYFMEEL-ROUUACIJSA-N	1	1	372.469	2.009	20	30		FEEDMO
CC[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1nnc2n1CCCCC2	ZINC000569686011	568411763	/nfs/dbraw/zinc/41/17/63/568411763.db2.gz	CZMIEVXGOHAFJD-AEFFLSMTSA-N	1	1	369.469	2.357	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)Cc1ccc(C#N)cc1)CCC(F)(F)F	ZINC000570003159	568448630	/nfs/dbraw/zinc/44/86/30/568448630.db2.gz	ODBKBLODBZUPLU-UHFFFAOYSA-N	1	1	363.405	2.252	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)Cc1ccc(C#N)cc1)CCC(F)(F)F	ZINC000570003159	568448631	/nfs/dbraw/zinc/44/86/31/568448631.db2.gz	ODBKBLODBZUPLU-UHFFFAOYSA-N	1	1	363.405	2.252	20	30		FEEDMO
C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000570231499	568463836	/nfs/dbraw/zinc/46/38/36/568463836.db2.gz	HMGYDLSSEPPWES-KYHPRHEASA-N	1	1	356.470	2.299	20	30		FEEDMO
C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000570231499	568463838	/nfs/dbraw/zinc/46/38/38/568463838.db2.gz	HMGYDLSSEPPWES-KYHPRHEASA-N	1	1	356.470	2.299	20	30		FEEDMO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@H+](CC)C(C)C	ZINC000735420772	598362064	/nfs/dbraw/zinc/36/20/64/598362064.db2.gz	UBCFCFGPIFYEQA-UHFFFAOYSA-N	1	1	371.489	2.295	20	30		FEEDMO
C#CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1)C1CCCC1	ZINC000819697563	606783938	/nfs/dbraw/zinc/78/39/38/606783938.db2.gz	IAKKLFSQORLWRG-UHFFFAOYSA-N	1	1	358.471	2.361	20	30		FEEDMO
C#CC[N@H+](CC(=O)Nc1sc(C)c(C)c1-c1nn[nH]n1)C1CCCC1	ZINC000819697563	606783941	/nfs/dbraw/zinc/78/39/41/606783941.db2.gz	IAKKLFSQORLWRG-UHFFFAOYSA-N	1	1	358.471	2.361	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1	ZINC000815082275	674914058	/nfs/dbraw/zinc/91/40/58/674914058.db2.gz	IOTVVFHROLNOCR-UHFFFAOYSA-N	1	1	352.353	2.078	20	30		FEEDMO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OCC)c2ccccc21	ZINC000815083057	674914523	/nfs/dbraw/zinc/91/45/23/674914523.db2.gz	NPVJYQSGRPYPMQ-UHFFFAOYSA-N	1	1	360.479	2.472	20	30		FEEDMO
C=CCOc1cccc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1	ZINC000564312568	674993998	/nfs/dbraw/zinc/99/39/98/674993998.db2.gz	OPACVHGZCQZJTG-KRWDZBQOSA-N	1	1	352.500	2.355	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](CC)OC	ZINC001048564469	675010496	/nfs/dbraw/zinc/01/04/96/675010496.db2.gz	OUPPOYABOWBENA-BDPHEOEISA-N	1	1	350.503	2.362	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC	ZINC001048570649	675010711	/nfs/dbraw/zinc/01/07/11/675010711.db2.gz	UBKTYOAOBHNXAM-PJVZLEMVSA-N	1	1	350.503	2.363	20	30		FEEDMO
CC[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2C1	ZINC001048947928	675019648	/nfs/dbraw/zinc/01/96/48/675019648.db2.gz	OSEFQJUJONZXMM-NONVJHHQSA-N	1	1	359.495	2.325	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1	ZINC001049104197	675023256	/nfs/dbraw/zinc/02/32/56/675023256.db2.gz	GNZDPJQISSAEAO-DFGXFYAUSA-N	1	1	361.511	2.405	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1	ZINC001049104197	675023258	/nfs/dbraw/zinc/02/32/58/675023258.db2.gz	GNZDPJQISSAEAO-DFGXFYAUSA-N	1	1	361.511	2.405	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nc(C)cs3)C[C@@H]2C1	ZINC001049111499	675023404	/nfs/dbraw/zinc/02/34/04/675023404.db2.gz	UBSHXASJRNDVKJ-DFGXFYAUSA-N	1	1	361.511	2.323	20	30		FEEDMO
CC[C@H](CSC)[N@@H+](C)CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000091024760	670716118	/nfs/dbraw/zinc/71/61/18/670716118.db2.gz	YYWFPTPNSFVVEU-MRXNPFEDSA-N	1	1	360.483	2.353	20	30		FEEDMO
CC[C@H](CSC)[N@@H+](C)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000091024106	670716353	/nfs/dbraw/zinc/71/63/53/670716353.db2.gz	KBBIQSHTOLAIGS-MRXNPFEDSA-N	1	1	360.483	2.353	20	30		FEEDMO
C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1	ZINC000571228384	670838051	/nfs/dbraw/zinc/83/80/51/670838051.db2.gz	FMMXCEHTTIMARE-OAHLLOKOSA-N	1	1	359.499	2.412	20	30		FEEDMO
C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[N@H+]2CCOC[C@H]2C1	ZINC000571228384	670838059	/nfs/dbraw/zinc/83/80/59/670838059.db2.gz	FMMXCEHTTIMARE-OAHLLOKOSA-N	1	1	359.499	2.412	20	30		FEEDMO
C[NH+]1CCN(c2ccc(NC(=O)C3(C#N)CCOCC3)cc2Cl)CC1	ZINC000109141884	670838090	/nfs/dbraw/zinc/83/80/90/670838090.db2.gz	JICQHGZVLDPPPI-UHFFFAOYSA-N	1	1	362.861	2.351	20	30		FEEDMO
CC1CC[NH+]([C@H](CNC[C@@H](O)CN(C)CCC#N)c2cccs2)CC1	ZINC000565762836	675149410	/nfs/dbraw/zinc/14/94/10/675149410.db2.gz	ZCUQHXYKEDTNJO-QZTJIDSGSA-N	1	1	364.559	2.317	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc(Br)c(C#N)cc1F	ZINC000574770949	671275997	/nfs/dbraw/zinc/27/59/97/671275997.db2.gz	NCCTUZSVHDNRPE-WDEREUQCSA-N	1	1	356.239	2.351	20	30		FEEDMO
C[N@H+]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1(C)C	ZINC000579024659	671706945	/nfs/dbraw/zinc/70/69/45/671706945.db2.gz	RSUFYFDEQRZLPT-UHFFFAOYSA-N	1	1	366.259	2.252	20	30		FEEDMO
C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1	ZINC000579407865	671733275	/nfs/dbraw/zinc/73/32/75/671733275.db2.gz	NLYYSMQFFCAOBQ-INIZCTEOSA-N	1	1	352.500	2.355	20	30		FEEDMO
C[C@H]1SCC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)[C@H]1C	ZINC000118383686	671885806	/nfs/dbraw/zinc/88/58/06/671885806.db2.gz	ZWIIFHYYJAJCJH-UONOGXRCSA-N	1	1	358.467	2.106	20	30		FEEDMO
C[C@H]1SCC[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)[C@H]1C	ZINC000118383686	671885809	/nfs/dbraw/zinc/88/58/09/671885809.db2.gz	ZWIIFHYYJAJCJH-UONOGXRCSA-N	1	1	358.467	2.106	20	30		FEEDMO
CNC(NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)=[NH+]C	ZINC000122466176	671967311	/nfs/dbraw/zinc/96/73/11/671967311.db2.gz	RHDDLIDIIRSPOZ-UHFFFAOYSA-N	1	1	357.424	2.012	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000583184459	672071139	/nfs/dbraw/zinc/07/11/39/672071139.db2.gz	IXNGVIKWSQHXJE-GFCCVEGCSA-N	1	1	366.259	2.158	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@H+](C2CCC2)C1	ZINC000584756268	672212676	/nfs/dbraw/zinc/21/26/76/672212676.db2.gz	TZVDYTZXSATDSY-CQSZACIVSA-N	1	1	365.474	2.333	20	30		FEEDMO
C=CCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000167072351	672320142	/nfs/dbraw/zinc/32/01/42/672320142.db2.gz	VLXCFMZWNWFRBX-ROUUACIJSA-N	1	1	357.564	2.161	20	30		FEEDMO
C=CCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1	ZINC000167072351	672320144	/nfs/dbraw/zinc/32/01/44/672320144.db2.gz	VLXCFMZWNWFRBX-ROUUACIJSA-N	1	1	357.564	2.161	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C[C@H]1C	ZINC000611100530	676016883	/nfs/dbraw/zinc/01/68/83/676016883.db2.gz	ITKCLFZUEULSGD-CQSZACIVSA-N	1	1	360.483	2.183	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C[C@H]1C	ZINC000611100530	676016885	/nfs/dbraw/zinc/01/68/85/676016885.db2.gz	ITKCLFZUEULSGD-CQSZACIVSA-N	1	1	360.483	2.183	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000181556624	672427903	/nfs/dbraw/zinc/42/79/03/672427903.db2.gz	VEOOTSAEFWDJOY-OAHLLOKOSA-N	1	1	352.479	2.080	20	30		FEEDMO
C[C@](O)(C1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1)C(F)(F)F	ZINC000592505910	672809394	/nfs/dbraw/zinc/80/93/94/672809394.db2.gz	GZLYORYEMXMWFO-HNNXBMFYSA-N	1	1	353.348	2.126	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc(F)c1	ZINC000612057627	676066462	/nfs/dbraw/zinc/06/64/62/676066462.db2.gz	QLNZXGMUCCGTAZ-SFHVURJKSA-N	1	1	361.442	2.420	20	30		FEEDMO
CSC[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000247032177	672845943	/nfs/dbraw/zinc/84/59/43/672845943.db2.gz	QTNJPIVJUDIMNU-YJBOKZPZSA-N	1	1	358.467	2.110	20	30		FEEDMO
CSC[C@@H]1CCC[N@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000247032177	672845948	/nfs/dbraw/zinc/84/59/48/672845948.db2.gz	QTNJPIVJUDIMNU-YJBOKZPZSA-N	1	1	358.467	2.110	20	30		FEEDMO
COCC[N@H+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)C1	ZINC000593101699	672876317	/nfs/dbraw/zinc/87/63/17/672876317.db2.gz	RNRDLENKSDYRLS-UHFFFAOYSA-N	1	1	364.877	2.193	20	30		FEEDMO
CC[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1	ZINC000593416094	672920624	/nfs/dbraw/zinc/92/06/24/672920624.db2.gz	VUCCTVCMPSABPU-LBPRGKRZSA-N	1	1	350.260	2.321	20	30		FEEDMO
C#CCCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000288422394	672986173	/nfs/dbraw/zinc/98/61/73/672986173.db2.gz	SAIVCQVVQRUULZ-OAHLLOKOSA-N	1	1	360.401	2.222	20	30		FEEDMO
C#CCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000288422394	672986175	/nfs/dbraw/zinc/98/61/75/672986175.db2.gz	SAIVCQVVQRUULZ-OAHLLOKOSA-N	1	1	360.401	2.222	20	30		FEEDMO
CC(C)NC(=[NH2+])NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1	ZINC000304774475	673020884	/nfs/dbraw/zinc/02/08/84/673020884.db2.gz	BXHLMGQDGVOLFN-UHFFFAOYSA-N	1	1	357.424	2.270	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	ZINC000594071758	673028459	/nfs/dbraw/zinc/02/84/59/673028459.db2.gz	QYXUMMSLMBZLST-QLFBSQMISA-N	1	1	360.483	2.364	20	30		FEEDMO
Cn1ncc(C2CCC2)c1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000594733013	673125665	/nfs/dbraw/zinc/12/56/65/673125665.db2.gz	PCDJQHNTGXGNJQ-UHFFFAOYSA-N	1	1	358.467	2.123	20	30		FEEDMO
CCC(CC)[C@H](CNC(=O)N1CCC[C@H](CC#N)C1)[NH+]1CCOCC1	ZINC000595447369	673252306	/nfs/dbraw/zinc/25/23/06/673252306.db2.gz	UXXQFWRPRYPQIB-AEFFLSMTSA-N	1	1	350.507	2.459	20	30		FEEDMO
C=CCCSCCNC(=O)NCC[NH+]1CCN(c2ccccc2)CC1	ZINC000595461798	673253751	/nfs/dbraw/zinc/25/37/51/673253751.db2.gz	NUYLFCAATDGOIP-UHFFFAOYSA-N	1	1	362.543	2.417	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@H](O)CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000595463981	673254261	/nfs/dbraw/zinc/25/42/61/673254261.db2.gz	FCWGSLYBXKOITO-OALUTQOASA-N	1	1	364.921	2.223	20	30		FEEDMO
CNS(=O)(=O)c1cccc2c1CC[N@H+](CCc1ccc(C#N)cc1)C2	ZINC000595477015	673255800	/nfs/dbraw/zinc/25/58/00/673255800.db2.gz	PASNBQYJSWIYCW-UHFFFAOYSA-N	1	1	355.463	2.067	20	30		FEEDMO
CNS(=O)(=O)c1cccc2c1CC[N@@H+](CCc1ccc(C#N)cc1)C2	ZINC000595477015	673255802	/nfs/dbraw/zinc/25/58/02/673255802.db2.gz	PASNBQYJSWIYCW-UHFFFAOYSA-N	1	1	355.463	2.067	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)cc1Cl	ZINC000595744964	673288298	/nfs/dbraw/zinc/28/82/98/673288298.db2.gz	WTUSOGYIMPTKSX-XJKSGUPXSA-N	1	1	360.845	2.141	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1	ZINC000595913229	673338058	/nfs/dbraw/zinc/33/80/58/673338058.db2.gz	FFKOVDOKIJQHPL-AWEZNQCLSA-N	1	1	363.483	2.310	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1	ZINC000595913229	673338060	/nfs/dbraw/zinc/33/80/60/673338060.db2.gz	FFKOVDOKIJQHPL-AWEZNQCLSA-N	1	1	363.483	2.310	20	30		FEEDMO
N#Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)sc1Cl	ZINC000596136366	673362067	/nfs/dbraw/zinc/36/20/67/673362067.db2.gz	SZXFTNPPPHOZPX-KGLIPLIRSA-N	1	1	362.886	2.963	20	30		FEEDMO
N#Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)sc1Cl	ZINC000596136364	673362146	/nfs/dbraw/zinc/36/21/46/673362146.db2.gz	SZXFTNPPPHOZPX-KBPBESRZSA-N	1	1	362.886	2.963	20	30		FEEDMO
COCCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1	ZINC000735307043	673489979	/nfs/dbraw/zinc/48/99/79/673489979.db2.gz	XRCBMLMYCPTJPK-UHFFFAOYSA-N	1	1	365.861	2.217	20	30		FEEDMO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1	ZINC000597862260	673513892	/nfs/dbraw/zinc/51/38/92/673513892.db2.gz	YTIPLGCRKLJZQV-KUHUBIRLSA-N	1	1	351.491	2.485	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599359385	673663403	/nfs/dbraw/zinc/66/34/03/673663403.db2.gz	ACUVJANXKKGNKL-JKSUJKDBSA-N	1	1	352.475	2.111	20	30		FEEDMO
C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CCN(CC(F)(F)F)CC1	ZINC000599434605	673675334	/nfs/dbraw/zinc/67/53/34/673675334.db2.gz	CTIWXMDIQCWKMT-HNNXBMFYSA-N	1	1	363.424	2.016	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c(Cl)c1	ZINC000600065244	673738269	/nfs/dbraw/zinc/73/82/69/673738269.db2.gz	YARNAUWYUIDTIW-AWEZNQCLSA-N	1	1	360.845	2.283	20	30		FEEDMO
N#CC1(CS(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCC1	ZINC000545365299	673763311	/nfs/dbraw/zinc/76/33/11/673763311.db2.gz	RXNCNVWQNVMLLO-NVXWUHKLSA-N	1	1	351.516	2.349	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C	ZINC000743866876	673773851	/nfs/dbraw/zinc/77/38/51/673773851.db2.gz	PBLPIPNENWDHHY-HNNXBMFYSA-N	1	1	352.479	2.080	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C	ZINC000743866876	673773853	/nfs/dbraw/zinc/77/38/53/673773853.db2.gz	PBLPIPNENWDHHY-HNNXBMFYSA-N	1	1	352.479	2.080	20	30		FEEDMO
CN(CCC#N)C[C@H](O)CN[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1	ZINC000600754791	673796726	/nfs/dbraw/zinc/79/67/26/673796726.db2.gz	IICPGSFISZOFAK-RHSMWYFYSA-N	1	1	373.328	2.392	20	30		FEEDMO
CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)[NH+]1CCCCC1	ZINC000745084152	673824562	/nfs/dbraw/zinc/82/45/62/673824562.db2.gz	RFBMYWGYECOQTJ-TXPKVOOTSA-N	1	1	351.491	2.483	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2CCC[C@H](n3ccnn3)CC2)c(C#N)c1C	ZINC000602894126	673913148	/nfs/dbraw/zinc/91/31/48/673913148.db2.gz	ZCMXQFSSUIQIOS-AWEZNQCLSA-N	1	1	358.471	2.494	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2CCC[C@H](n3ccnn3)CC2)c(C#N)c1C	ZINC000602894126	673913153	/nfs/dbraw/zinc/91/31/53/673913153.db2.gz	ZCMXQFSSUIQIOS-AWEZNQCLSA-N	1	1	358.471	2.494	20	30		FEEDMO
N#Cc1cc(N2CCCC[C@H]2C[NH+]2CCOCC2)ncc1Br	ZINC000603304142	673923635	/nfs/dbraw/zinc/92/36/35/673923635.db2.gz	OORIHFSTWDNLHE-AWEZNQCLSA-N	1	1	365.275	2.407	20	30		FEEDMO
C[C@@H]1COCC[N@H+]1C1CCN(c2cc(C#N)c(Br)cn2)CC1	ZINC000603403037	673929863	/nfs/dbraw/zinc/92/98/63/673929863.db2.gz	QUNWIKXSIGKRSJ-GFCCVEGCSA-N	1	1	365.275	2.405	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1	ZINC000818615549	675228850	/nfs/dbraw/zinc/22/88/50/675228850.db2.gz	PUSXNPXTGCEJIL-INIZCTEOSA-N	1	1	361.511	2.127	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC[N@H+]1C	ZINC000819314264	675280285	/nfs/dbraw/zinc/28/02/85/675280285.db2.gz	WGNBEOFYNLCFAT-KFWWJZLASA-N	1	1	352.479	2.172	20	30		FEEDMO
CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C)C1	ZINC000819313667	675280518	/nfs/dbraw/zinc/28/05/18/675280518.db2.gz	JKNLTSCNTCPMME-CABCVRRESA-N	1	1	352.479	2.126	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819575552	675302168	/nfs/dbraw/zinc/30/21/68/675302168.db2.gz	GAVCXLFHTPBKEF-LSDHHAIUSA-N	1	1	352.479	2.126	20	30		FEEDMO
C#CCN(CC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)C(=O)OC(C)(C)C	ZINC000822059228	675467606	/nfs/dbraw/zinc/46/76/06/675467606.db2.gz	PSXWZDSSISZFHZ-HZPDHXFCSA-N	1	1	351.491	2.093	20	30		FEEDMO
C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000825838670	675670683	/nfs/dbraw/zinc/67/06/83/675670683.db2.gz	FDYIFSJXAQKYCN-BBRMVZONSA-N	1	1	354.372	2.434	20	30		FEEDMO
C[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1	ZINC000618202310	676324533	/nfs/dbraw/zinc/32/45/33/676324533.db2.gz	XOPCHWRVCQNIGG-OAHLLOKOSA-N	1	1	361.877	2.137	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)ccc1C(F)(F)F	ZINC000619709627	676391673	/nfs/dbraw/zinc/39/16/73/676391673.db2.gz	SRADZIOYWJDDSD-CYBMUJFWSA-N	1	1	373.400	2.340	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)C[N@H+](C)CCC)cc1	ZINC000620626011	676423372	/nfs/dbraw/zinc/42/33/72/676423372.db2.gz	JLEKHAPMHDDCEK-UHFFFAOYSA-N	1	1	367.515	2.001	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1	ZINC000625368749	676643184	/nfs/dbraw/zinc/64/31/84/676643184.db2.gz	NOGODKABRHBVMD-INIZCTEOSA-N	1	1	361.511	2.396	20	30		FEEDMO
C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C1	ZINC000625701900	676669291	/nfs/dbraw/zinc/66/92/91/676669291.db2.gz	UJPQWFQPVCUNJZ-HNNXBMFYSA-N	1	1	365.499	2.082	20	30		FEEDMO
CNS(=O)(=O)C[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000626168343	676693432	/nfs/dbraw/zinc/69/34/32/676693432.db2.gz	QBWMZUTXWNOJSE-HNNXBMFYSA-N	1	1	374.428	2.318	20	30		FEEDMO
CNS(=O)(=O)C[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000626168343	676693434	/nfs/dbraw/zinc/69/34/34/676693434.db2.gz	QBWMZUTXWNOJSE-HNNXBMFYSA-N	1	1	374.428	2.318	20	30		FEEDMO
CC#CC[C@H](CO)[NH2+]Cc1c(Br)cncc1Br	ZINC000641767255	677215258	/nfs/dbraw/zinc/21/52/58/677215258.db2.gz	HXPNYCAZDZRUPD-SECBINFHSA-N	1	1	362.065	2.471	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12	ZINC000656360474	677749275	/nfs/dbraw/zinc/74/92/75/677749275.db2.gz	UAIINQKRRIANLM-IRXDYDNUSA-N	1	1	361.511	2.396	20	30		FEEDMO
C[C@H](O)[C@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000661769485	678531826	/nfs/dbraw/zinc/53/18/26/678531826.db2.gz	ISTBCQOMHWOPIL-XJKSGUPXSA-N	1	1	354.372	2.018	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1=O	ZINC000840044060	680794897	/nfs/dbraw/zinc/79/48/97/680794897.db2.gz	XRMDBNFRFXUVHA-GJZGRUSLSA-N	1	1	352.479	2.103	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1=O	ZINC000840044060	680794898	/nfs/dbraw/zinc/79/48/98/680794898.db2.gz	XRMDBNFRFXUVHA-GJZGRUSLSA-N	1	1	352.479	2.103	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H](C)S[C@H](C)C1	ZINC000669033957	679216225	/nfs/dbraw/zinc/21/62/25/679216225.db2.gz	DSVLZFWZCYZCIH-FPCVCCKLSA-N	1	1	363.531	2.330	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1CCSC1	ZINC000669336536	679230038	/nfs/dbraw/zinc/23/00/38/679230038.db2.gz	KPQMOQVJDSRHCB-PMPSAXMXSA-N	1	1	363.531	2.332	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2OC)CC1	ZINC000747823178	679905279	/nfs/dbraw/zinc/90/52/79/679905279.db2.gz	NYJRECJOZPSTFS-UHFFFAOYSA-N	1	1	365.271	2.419	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCOCC2)C1	ZINC001008584696	679918901	/nfs/dbraw/zinc/91/89/01/679918901.db2.gz	XSZGRHSHNAMLDA-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1	ZINC000831822440	680048157	/nfs/dbraw/zinc/04/81/57/680048157.db2.gz	BXGXRIUHPNMMOG-UHFFFAOYSA-N	1	1	352.479	2.128	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(CCC)s2)C1	ZINC001020726493	680113892	/nfs/dbraw/zinc/11/38/92/680113892.db2.gz	NQXCAFASANAMKY-WSMBLCCSSA-N	1	1	364.515	2.209	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CC2CC(OCC)C2)CC1	ZINC000981186230	680219067	/nfs/dbraw/zinc/21/90/67/680219067.db2.gz	PZYXSEGRJRELGA-GMNCBBECSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(=C)Br)C1	ZINC001023599154	680265053	/nfs/dbraw/zinc/26/50/53/680265053.db2.gz	BMMHVDJXOXEAKR-ZNMIVQPWSA-N	1	1	357.292	2.314	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=C)Br)C1	ZINC001023599154	680265055	/nfs/dbraw/zinc/26/50/55/680265055.db2.gz	BMMHVDJXOXEAKR-ZNMIVQPWSA-N	1	1	357.292	2.314	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(C)s1	ZINC001024966674	680308103	/nfs/dbraw/zinc/30/81/03/680308103.db2.gz	HEAJHKYOFNIULN-OAGGEKHMSA-N	1	1	364.515	2.298	20	30		FEEDMO
N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)s1	ZINC001026896739	680352506	/nfs/dbraw/zinc/35/25/06/680352506.db2.gz	FPKOKEHETAHHRH-APHBMKBZSA-N	1	1	355.467	2.085	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CCOCC2)C1	ZINC001027585861	680360142	/nfs/dbraw/zinc/36/01/42/680360142.db2.gz	RJAAFTXHKINFLT-OTWHNJEPSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCCC2CCOCC2)C1	ZINC001028808817	680382925	/nfs/dbraw/zinc/38/29/25/680382925.db2.gz	GEMPWJJEOPYDGY-QRVBRYPASA-N	1	1	350.503	2.222	20	30		FEEDMO
C=C(Cl)CNC(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000755183364	680404173	/nfs/dbraw/zinc/40/41/73/680404173.db2.gz	ZORWXHPPDCLNKV-CQSZACIVSA-N	1	1	353.850	2.330	20	30		FEEDMO
C=C(Cl)CNC(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000755183364	680404175	/nfs/dbraw/zinc/40/41/75/680404175.db2.gz	ZORWXHPPDCLNKV-CQSZACIVSA-N	1	1	353.850	2.330	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1csc(C)n1	ZINC001032410021	680412654	/nfs/dbraw/zinc/41/26/54/680412654.db2.gz	MGIQXEGWNYMKPQ-FJIDUMEYSA-N	1	1	361.511	2.260	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1csc(C)n1	ZINC001032410021	680412656	/nfs/dbraw/zinc/41/26/56/680412656.db2.gz	MGIQXEGWNYMKPQ-FJIDUMEYSA-N	1	1	361.511	2.260	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1	ZINC001033497989	680424517	/nfs/dbraw/zinc/42/45/17/680424517.db2.gz	QOJPLPWYZSJXMK-QYZOEREBSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCOC2CCC2)C1	ZINC001033495833	680424572	/nfs/dbraw/zinc/42/45/72/680424572.db2.gz	BISWTKLSAMCISX-NEWSRXKRSA-N	1	1	350.503	2.460	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCOCC2)C1	ZINC001034215733	680430853	/nfs/dbraw/zinc/43/08/53/680430853.db2.gz	BLLDGSXTHRBSAJ-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCn2cc(Cl)cn2)C1	ZINC001034407791	680435255	/nfs/dbraw/zinc/43/52/55/680435255.db2.gz	DHIHHCDHQVNNRA-ZACQAIPSSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[N@H+](C[C@H](C)OC)C2)CC1	ZINC001035237711	680444790	/nfs/dbraw/zinc/44/47/90/680444790.db2.gz	RREQZXYLMHVOMU-BZSNNMDCSA-N	1	1	350.503	2.317	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3snc(Cl)c3C#N)[C@@H]2C)CC[N@H+]1C	ZINC001040269230	680470101	/nfs/dbraw/zinc/47/01/01/680470101.db2.gz	QFVRJYCZQDLYRI-XZUYRWCXSA-N	1	1	367.906	2.410	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1	ZINC000836488105	680475745	/nfs/dbraw/zinc/47/57/45/680475745.db2.gz	LPVZCUZFUIEVEV-KRWDZBQOSA-N	1	1	351.397	2.003	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CCCCN1C(=O)c1cccs1	ZINC000756541006	680483930	/nfs/dbraw/zinc/48/39/30/680483930.db2.gz	FCQOKBGFPDAQRI-JKSUJKDBSA-N	1	1	360.479	2.384	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1Nc1nc(Cl)c(C#N)s1	ZINC001043608147	680591139	/nfs/dbraw/zinc/59/11/39/680591139.db2.gz	GHLFZPKUNPGPFX-IJLUTSLNSA-N	1	1	367.906	2.411	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC000988022801	680598099	/nfs/dbraw/zinc/59/80/99/680598099.db2.gz	JZTZHCJIASWWEV-FVQBIDKESA-N	1	1	369.937	2.412	20	30		FEEDMO
C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2snc(Cl)c2C#N)C1	ZINC001045497526	680632031	/nfs/dbraw/zinc/63/20/31/680632031.db2.gz	DZZWRWKRDQPEDD-CYZMBNFOSA-N	1	1	367.906	2.459	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCOCC2)C1	ZINC001007356540	680636525	/nfs/dbraw/zinc/63/65/25/680636525.db2.gz	HPQKWDSXZDDTQD-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)C1	ZINC001046957834	680654751	/nfs/dbraw/zinc/65/47/51/680654751.db2.gz	JOLDFPSABJRDFK-RBSFLKMASA-N	1	1	352.429	2.173	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@H+]1C	ZINC001047065892	680656994	/nfs/dbraw/zinc/65/69/94/680656994.db2.gz	QYCYZIQKRVWYQH-QHSBEEBCSA-N	1	1	361.877	2.254	20	30		FEEDMO
C[N@H+](CC(=O)OCc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCSC1	ZINC000767112647	680899414	/nfs/dbraw/zinc/89/94/14/680899414.db2.gz	RHYYVGPCWIXJKS-AWEZNQCLSA-N	1	1	358.423	2.089	20	30		FEEDMO
C[N@@H+](CC(=O)OCc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCSC1	ZINC000767112647	680899415	/nfs/dbraw/zinc/89/94/15/680899415.db2.gz	RHYYVGPCWIXJKS-AWEZNQCLSA-N	1	1	358.423	2.089	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cccc(OC)c2OC(F)F)CC1	ZINC000769023008	680968146	/nfs/dbraw/zinc/96/81/46/680968146.db2.gz	XOYANSLTJLFLLS-UHFFFAOYSA-N	1	1	352.381	2.258	20	30		FEEDMO
CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1	ZINC000843433172	681003710	/nfs/dbraw/zinc/00/37/10/681003710.db2.gz	VKIWXKRNWXBQQR-LRDDRELGSA-N	1	1	355.360	2.478	20	30		FEEDMO
C=C(Br)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC001052572714	681081291	/nfs/dbraw/zinc/08/12/91/681081291.db2.gz	QJEBCLDTKLKDMH-RDGWLKQMSA-N	1	1	369.303	2.289	20	30		FEEDMO
C=C(Br)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC001052572714	681081294	/nfs/dbraw/zinc/08/12/94/681081294.db2.gz	QJEBCLDTKLKDMH-RDGWLKQMSA-N	1	1	369.303	2.289	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2csnc2OC)CC1	ZINC001052721247	681083978	/nfs/dbraw/zinc/08/39/78/681083978.db2.gz	BFESOZBADZVUME-OAGGEKHMSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2csnc2OC)CC1	ZINC001052721247	681083982	/nfs/dbraw/zinc/08/39/82/681083982.db2.gz	BFESOZBADZVUME-OAGGEKHMSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCOCC2)CC1	ZINC001052723113	681084641	/nfs/dbraw/zinc/08/46/41/681084641.db2.gz	QCXDLNREUCDPOB-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCc2sc(Br)cc2C1	ZINC000772140755	681087586	/nfs/dbraw/zinc/08/75/86/681087586.db2.gz	DMFKKMCKYMBESI-LBPRGKRZSA-N	1	1	353.285	2.493	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2sc(Br)cc2C1	ZINC000772140755	681087588	/nfs/dbraw/zinc/08/75/88/681087588.db2.gz	DMFKKMCKYMBESI-LBPRGKRZSA-N	1	1	353.285	2.493	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000845220745	681111676	/nfs/dbraw/zinc/11/16/76/681111676.db2.gz	NESRFHBGZLSUME-LJQANCHMSA-N	1	1	363.889	2.288	20	30		FEEDMO
N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1	ZINC000846313137	681223803	/nfs/dbraw/zinc/22/38/03/681223803.db2.gz	KJSMCYMXNXZXIX-PBHICJAKSA-N	1	1	359.499	2.108	20	30		FEEDMO
CC[N@@H+](CCC(N)=O)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000932480843	681253187	/nfs/dbraw/zinc/25/31/87/681253187.db2.gz	MNYGEXBRVMOLBY-GFCCVEGCSA-N	1	1	362.499	2.270	20	30		FEEDMO
CC[N@@H+](CCNC(=O)Nc1cnc(OC)c(C#N)c1)CCC(F)(F)F	ZINC000932515675	681259795	/nfs/dbraw/zinc/25/97/95/681259795.db2.gz	HZTLCHZEQKANJW-UHFFFAOYSA-N	1	1	359.352	2.358	20	30		FEEDMO
N#CC[C@@H](NC(=O)N1CC[NH+](CCc2cccs2)CC1)C(F)(F)F	ZINC000932922325	681328875	/nfs/dbraw/zinc/32/88/75/681328875.db2.gz	LTODCYVNJWZZJI-CYBMUJFWSA-N	1	1	360.405	2.462	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@H]1CCCO1	ZINC000775784843	681334798	/nfs/dbraw/zinc/33/47/98/681334798.db2.gz	LGZJZEPNBAKLDG-LSDHHAIUSA-N	1	1	355.265	2.423	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@H]1CCCO1	ZINC000775785996	681335212	/nfs/dbraw/zinc/33/52/12/681335212.db2.gz	UIPOZEWNFZKDTB-JKSUJKDBSA-N	1	1	352.381	2.017	20	30		FEEDMO
C#C[C@@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCCO1	ZINC000775792250	681335734	/nfs/dbraw/zinc/33/57/34/681335734.db2.gz	YZZIWDNSQHYGJP-DGCLKSJQSA-N	1	1	356.325	2.475	20	30		FEEDMO
C#C[C@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)[C@H]1CCCO1	ZINC000775793743	681335826	/nfs/dbraw/zinc/33/58/26/681335826.db2.gz	NMWFBKALMZWXMX-DOTOQJQBSA-N	1	1	356.447	2.119	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)s1	ZINC000933088842	681361493	/nfs/dbraw/zinc/36/14/93/681361493.db2.gz	UBJDCJAEUKKONB-UHFFFAOYSA-N	1	1	353.513	2.400	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933715096	681456573	/nfs/dbraw/zinc/45/65/73/681456573.db2.gz	YNBDTNBWNRXCLR-LBPRGKRZSA-N	1	1	355.364	2.047	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(OC(F)F)c1	ZINC000934262480	681537235	/nfs/dbraw/zinc/53/72/35/681537235.db2.gz	KFJJEIDXSVKAEN-CVEARBPZSA-N	1	1	351.397	2.191	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Nc1c(Br)cnn1C1CC1	ZINC000934362273	681556964	/nfs/dbraw/zinc/55/69/64/681556964.db2.gz	AQJWHETZKJIUCZ-UHFFFAOYSA-N	1	1	354.252	2.057	20	30		FEEDMO
C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000934464016	681575057	/nfs/dbraw/zinc/57/50/57/681575057.db2.gz	ALWIPRDKQKUMQL-ZDUSSCGKSA-N	1	1	371.890	2.179	20	30		FEEDMO
C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000934464016	681575060	/nfs/dbraw/zinc/57/50/60/681575060.db2.gz	ALWIPRDKQKUMQL-ZDUSSCGKSA-N	1	1	371.890	2.179	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@@H+](CCCF)CCO2	ZINC000949492400	681643913	/nfs/dbraw/zinc/64/39/13/681643913.db2.gz	ATNZOJUZSDLYJZ-IRXDYDNUSA-N	1	1	354.466	2.021	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N(CC)C2CN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC000950367277	681686324	/nfs/dbraw/zinc/68/63/24/681686324.db2.gz	BLTYGRIYOAQWAV-ZWKOTPCHSA-N	1	1	360.527	2.383	20	30		FEEDMO
CCOCCOc1ccc(Br)cc1C=NNC1=[NH+]C[C@H](C)N1	ZINC000779794196	681754050	/nfs/dbraw/zinc/75/40/50/681754050.db2.gz	DMHCHOPPWGTQDM-NSHDSACASA-N	1	1	369.263	2.136	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@H]2CC(C)(C)CO2)C1	ZINC000953830783	681800999	/nfs/dbraw/zinc/80/09/99/681800999.db2.gz	JBEQYPOVZLORFA-SQNIBIBYSA-N	1	1	350.503	2.315	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCCCCNC(=O)OC(C)(C)C)CC1	ZINC000780535224	681839586	/nfs/dbraw/zinc/83/95/86/681839586.db2.gz	ASZPPFMGMOKIDM-UHFFFAOYSA-N	1	1	351.491	2.239	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1	ZINC000913852612	685486616	/nfs/dbraw/zinc/48/66/16/685486616.db2.gz	WJOFLHDCDZEXES-MRXNPFEDSA-N	1	1	361.492	2.314	20	30		FEEDMO
C=CCCn1cc(C[NH2+]C[C@H](O)c2ccccc2Br)nn1	ZINC000850319150	681885061	/nfs/dbraw/zinc/88/50/61/681885061.db2.gz	IKJOTPVKFKQKKK-HNNXBMFYSA-N	1	1	351.248	2.440	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1	ZINC000939121190	681965848	/nfs/dbraw/zinc/96/58/48/681965848.db2.gz	YXKWNTIDCFNRMS-YUELXQCFSA-N	1	1	355.910	2.213	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1	ZINC000914273420	685502017	/nfs/dbraw/zinc/50/20/17/685502017.db2.gz	GNKKEQOOTHPGBR-PBHICJAKSA-N	1	1	365.524	2.398	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C	ZINC000960010730	682020392	/nfs/dbraw/zinc/02/03/92/682020392.db2.gz	OVDYQTHTOFSQMD-RVKKMQEKSA-N	1	1	360.527	2.431	20	30		FEEDMO
COCC[N@@H+](CCn1cnc(Br)n1)Cc1ccc(C#N)cc1	ZINC000851739750	682116509	/nfs/dbraw/zinc/11/65/09/682116509.db2.gz	OKBXHABQBAXHNM-UHFFFAOYSA-N	1	1	364.247	2.061	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl	ZINC000783533173	682150310	/nfs/dbraw/zinc/15/03/10/682150310.db2.gz	XUNIPNVVDYTPCB-AWEZNQCLSA-N	1	1	372.918	2.428	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1	ZINC000917654584	685533494	/nfs/dbraw/zinc/53/34/94/685533494.db2.gz	HNSPHENXPDYPET-CHWSQXEVSA-N	1	1	373.400	2.482	20	30		FEEDMO
COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1	ZINC000852339049	682263464	/nfs/dbraw/zinc/26/34/64/682263464.db2.gz	DKEASFBHBUJBDG-QLFBSQMISA-N	1	1	356.344	2.265	20	30		FEEDMO
Cc1c(CN2CCSCC2)cccc1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852863790	682351260	/nfs/dbraw/zinc/35/12/60/682351260.db2.gz	IOHGNARCFJQROE-UHFFFAOYSA-N	1	1	357.523	2.485	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCOCC2)C1	ZINC000971558787	682359040	/nfs/dbraw/zinc/35/90/40/682359040.db2.gz	IKSJKYRPLNUKIU-QRVBRYPASA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCOCC2)C1	ZINC000972522189	682419162	/nfs/dbraw/zinc/41/91/62/682419162.db2.gz	HTVAKEHNVCDOKK-QYZOEREBSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(OC)ns2)C1	ZINC000972523757	682419172	/nfs/dbraw/zinc/41/91/72/682419172.db2.gz	WHESZLOHKJGTFQ-QRTARXTBSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(OC)ns2)C1	ZINC000972523757	682419173	/nfs/dbraw/zinc/41/91/73/682419173.db2.gz	WHESZLOHKJGTFQ-QRTARXTBSA-N	1	1	365.499	2.166	20	30		FEEDMO
Cn1nc(Br)cc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000787057966	682432218	/nfs/dbraw/zinc/43/22/18/682432218.db2.gz	DJXALMWENZGDTN-UHFFFAOYSA-N	1	1	374.286	2.372	20	30		FEEDMO
C#CCN(CC(=O)NCCC[N@@H+]1CCCC[C@H]1C)C(=O)OC(C)(C)C	ZINC000854271116	682531731	/nfs/dbraw/zinc/53/17/31/682531731.db2.gz	YUWMUWZIHRLASH-MRXNPFEDSA-N	1	1	351.491	2.237	20	30		FEEDMO
COCCN(C)[NH+]=Cc1ccc(Br)cc1N1CCOCC1	ZINC000794969510	683005644	/nfs/dbraw/zinc/00/56/44/683005644.db2.gz	GSRDSYQDGGCERY-UHFFFAOYSA-N	1	1	356.264	2.198	20	30		FEEDMO
C=C(C)CNC(=S)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000795132610	683021393	/nfs/dbraw/zinc/02/13/93/683021393.db2.gz	WKDFHUVABLPUGD-LJQANCHMSA-N	1	1	358.555	2.329	20	30		FEEDMO
CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C2	ZINC000926168446	683087104	/nfs/dbraw/zinc/08/71/04/683087104.db2.gz	YGHLAWHXBCAQEN-VXNCWWDNSA-N	1	1	361.873	2.421	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cn2ccc(Br)cc2n1	ZINC000796988295	683213618	/nfs/dbraw/zinc/21/36/18/683213618.db2.gz	IAGIFWYFNCGYNG-CYBMUJFWSA-N	1	1	362.227	2.351	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cn2ccc(Br)cc2n1	ZINC000796988295	683213622	/nfs/dbraw/zinc/21/36/22/683213622.db2.gz	IAGIFWYFNCGYNG-CYBMUJFWSA-N	1	1	362.227	2.351	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cnc1C(F)(F)F	ZINC000928079532	683372443	/nfs/dbraw/zinc/37/24/43/683372443.db2.gz	IYIBWAFUBKQJFJ-QWHCGFSZSA-N	1	1	370.400	2.282	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cnc1C(F)(F)F	ZINC000928079532	683372450	/nfs/dbraw/zinc/37/24/50/683372450.db2.gz	IYIBWAFUBKQJFJ-QWHCGFSZSA-N	1	1	370.400	2.282	20	30		FEEDMO
C[NH+]1CCN([C@H](C/N=C\c2ccc(O)c(O)c2O)c2cccs2)CC1	ZINC000920943706	683382628	/nfs/dbraw/zinc/38/26/28/683382628.db2.gz	FANCACJDWKPRGW-AXLWCPOOSA-N	1	1	361.467	2.273	20	30		FEEDMO
COc1ccc(-c2nc(C=NNCCC[NH+]3CCOCC3)cs2)cc1	ZINC000799489022	683460106	/nfs/dbraw/zinc/46/01/06/683460106.db2.gz	ZPWBQZHJAGXHOH-UHFFFAOYSA-N	1	1	360.483	2.465	20	30		FEEDMO
Brc1ccc2c(c1)OCCC2=NNCCC[NH+]1CCOCC1	ZINC000799489847	683460126	/nfs/dbraw/zinc/46/01/26/683460126.db2.gz	FOFVAOPONDXOFF-UHFFFAOYSA-N	1	1	368.275	2.248	20	30		FEEDMO
Cc1cc(Br)c(O)c(C=NNCCC[NH+]2CCOCC2)c1	ZINC000799489807	683460178	/nfs/dbraw/zinc/46/01/78/683460178.db2.gz	DCQYSCSMFQMLLL-UHFFFAOYSA-N	1	1	356.264	2.109	20	30		FEEDMO
C=CC[C@H]1CCN(C(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1	ZINC000862544749	683600029	/nfs/dbraw/zinc/60/00/29/683600029.db2.gz	UNLUFJNIQGDNQQ-HNNXBMFYSA-N	1	1	351.491	2.400	20	30		FEEDMO
N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1	ZINC000930278263	683703699	/nfs/dbraw/zinc/70/36/99/683703699.db2.gz	JMVZKUWRPKYNFS-MSOLQXFVSA-N	1	1	361.873	2.470	20	30		FEEDMO
C[NH+]1CCN(c2ccc(NC(=O)[C@@]3(C#N)CCCOC3)cc2Cl)CC1	ZINC000865077971	683932678	/nfs/dbraw/zinc/93/26/78/683932678.db2.gz	LESQOBJYNQWXEM-GOSISDBHSA-N	1	1	362.861	2.351	20	30		FEEDMO
N#Cc1c(NC[C@H]2CC[N@H+]2C2CCCCCC2)cccc1S(N)(=O)=O	ZINC000866194364	684081910	/nfs/dbraw/zinc/08/19/10/684081910.db2.gz	VBJUJSCIUMVKDU-OAHLLOKOSA-N	1	1	362.499	2.415	20	30		FEEDMO
C=CCCSCCNC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000923228729	684245738	/nfs/dbraw/zinc/24/57/38/684245738.db2.gz	WZIRAEVHDLBSBZ-CBZIJGRNSA-N	1	1	355.548	2.075	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1C(=O)NCC1(C)C	ZINC000931657990	684321852	/nfs/dbraw/zinc/32/18/52/684321852.db2.gz	IVGGJMGMTUVEFL-BLLLJJGKSA-N	1	1	360.483	2.134	20	30		FEEDMO
C=CC1(CC(=O)NCC[N@H+](CC)C2CC2)CN(C(=O)OC(C)(C)C)C1	ZINC000931835891	684354907	/nfs/dbraw/zinc/35/49/07/684354907.db2.gz	NXVPTPXQGMULEE-UHFFFAOYSA-N	1	1	351.491	2.400	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)cc1	ZINC000932075016	684402371	/nfs/dbraw/zinc/40/23/71/684402371.db2.gz	KHJNPHPWSRYTJP-UKRRQHHQSA-N	1	1	360.401	2.472	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CCS[C@@H](C(F)(F)F)C2)cc1	ZINC000932075016	684402376	/nfs/dbraw/zinc/40/23/76/684402376.db2.gz	KHJNPHPWSRYTJP-UKRRQHHQSA-N	1	1	360.401	2.472	20	30		FEEDMO
CN(CCc1cccc(C#N)c1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12	ZINC000925167224	684534247	/nfs/dbraw/zinc/53/42/47/684534247.db2.gz	AYEKMUJXWQGAGI-ROUUACIJSA-N	1	1	358.511	2.322	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1	ZINC000876711090	686249826	/nfs/dbraw/zinc/24/98/26/686249826.db2.gz	TUMIEXHTUPZCMD-SJORKVTESA-N	1	1	351.878	2.418	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1	ZINC000876782415	686268003	/nfs/dbraw/zinc/26/80/03/686268003.db2.gz	QEBXQPPGYVCBSV-BBRMVZONSA-N	1	1	368.884	2.225	20	30		FEEDMO
C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1	ZINC000878136483	686528250	/nfs/dbraw/zinc/52/82/50/686528250.db2.gz	AEXSYLQJBWWZGM-CHWSQXEVSA-N	1	1	350.381	2.227	20	30		FEEDMO
C#CCOCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1	ZINC000880025990	686977933	/nfs/dbraw/zinc/97/79/33/686977933.db2.gz	CUKKOAFOQKRKAF-OLZOCXBDSA-N	1	1	350.381	2.271	20	30		FEEDMO
C=CC[C@@H](C(=O)OC)[NH+]1CCC(Cc2ncc(C(=O)OC)s2)CC1	ZINC000880275698	687027211	/nfs/dbraw/zinc/02/72/11/687027211.db2.gz	URJGPAMPYNUIGU-ZDUSSCGKSA-N	1	1	352.456	2.302	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1	ZINC000880323015	687034922	/nfs/dbraw/zinc/03/49/22/687034922.db2.gz	MWNDFVHRHCFRMT-STQMWFEESA-N	1	1	351.472	2.108	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1	ZINC000880323015	687034924	/nfs/dbraw/zinc/03/49/24/687034924.db2.gz	MWNDFVHRHCFRMT-STQMWFEESA-N	1	1	351.472	2.108	20	30		FEEDMO
COC(=O)C(C)(C)C[N@@H+](CC(C)C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000880383654	687042574	/nfs/dbraw/zinc/04/25/74/687042574.db2.gz	HRMRIGBVFNPDNY-MRXNPFEDSA-N	1	1	354.491	2.215	20	30		FEEDMO
N#Cc1nc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1Br	ZINC000883079152	687558861	/nfs/dbraw/zinc/55/88/61/687558861.db2.gz	LNYZFAZSTMQVFD-WCQYABFASA-N	1	1	364.247	2.464	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883099702	687564943	/nfs/dbraw/zinc/56/49/43/687564943.db2.gz	DGVSFELTJDGOBZ-VHSXEESVSA-N	1	1	352.236	2.272	20	30		FEEDMO
O=S1(=O)CCC(NN=C2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1	ZINC000884446342	687872526	/nfs/dbraw/zinc/87/25/26/687872526.db2.gz	ONNCMFUHDAAJNX-LPHOPBHVSA-N	1	1	361.511	2.194	20	30		FEEDMO
COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1	ZINC000886305802	688228786	/nfs/dbraw/zinc/22/87/86/688228786.db2.gz	QUUZHFOQVUPCIN-BEFAXECRSA-N	1	1	352.475	2.111	20	30		FEEDMO
Cc1c(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cnn1CCC#N	ZINC000888118532	688548147	/nfs/dbraw/zinc/54/81/47/688548147.db2.gz	XVYPXGRKXLSHCM-ZDUSSCGKSA-N	1	1	357.483	2.343	20	30		FEEDMO
Cc1c(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cnn1CCC#N	ZINC000888118532	688548150	/nfs/dbraw/zinc/54/81/50/688548150.db2.gz	XVYPXGRKXLSHCM-ZDUSSCGKSA-N	1	1	357.483	2.343	20	30		FEEDMO
CC(C)[C@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)N1CC[NH+](C)CC1	ZINC000888406915	688606168	/nfs/dbraw/zinc/60/61/68/688606168.db2.gz	MKOHTWUKFQZSED-NSHDSACASA-N	1	1	370.910	2.062	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)N1CCO[C@](C)(C#N)C1)c1ccccc1Cl	ZINC000891551728	689076712	/nfs/dbraw/zinc/07/67/12/689076712.db2.gz	JLLOMKCHBDQUQP-NVXWUHKLSA-N	1	1	350.850	2.267	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(Nc2c(Br)cc(C)cc2C#N)CC1	ZINC000891767170	689104533	/nfs/dbraw/zinc/10/45/33/689104533.db2.gz	BVLFCJYCJGSJDJ-UHFFFAOYSA-N	1	1	365.275	2.252	20	30		FEEDMO
Cc1cc(CNC(=O)NCc2nc(C#N)cs2)cc(N2CCCC2)[nH+]1	ZINC000894948769	689626349	/nfs/dbraw/zinc/62/63/49/689626349.db2.gz	ZNLCQAJIPLOSLO-UHFFFAOYSA-N	1	1	356.455	2.318	20	30		FEEDMO
N#C[C@@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccc(Cl)c(Cl)c1	ZINC000900643312	690542372	/nfs/dbraw/zinc/54/23/72/690542372.db2.gz	KPUWXTQKFQPYHE-IUODEOHRSA-N	1	1	354.237	2.395	20	30		FEEDMO
C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000900788443	690561950	/nfs/dbraw/zinc/56/19/50/690561950.db2.gz	BACKOSAZNFGAIH-BEFAXECRSA-N	1	1	355.463	2.358	20	30		FEEDMO
C[N@H+]1CCC[C@@](O)(CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000900941576	690591475	/nfs/dbraw/zinc/59/14/75/690591475.db2.gz	JMLISZOXLIEYFP-QGZVFWFLSA-N	1	1	354.372	2.020	20	30		FEEDMO
NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC#C[C@H]1CCCCO1	ZINC000901704487	690682020	/nfs/dbraw/zinc/68/20/20/690682020.db2.gz	VDDJDJZYWCLCLA-CVEARBPZSA-N	1	1	354.372	2.264	20	30		FEEDMO
C=CCOC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[O-]	ZINC000901808335	690696672	/nfs/dbraw/zinc/69/66/72/690696672.db2.gz	DVENRNBRICCMFB-SFHVURJKSA-N	1	1	350.434	2.078	20	30		FEEDMO
N#C[C@]12C[N@H+](Cn3ccc(=S)c4ccccc43)C[C@H]1CS(=O)(=O)C2	ZINC000902526481	690774419	/nfs/dbraw/zinc/77/44/19/690774419.db2.gz	HNQSWDSLDIXYQW-SUMWQHHRSA-N	1	1	359.476	2.198	20	30		FEEDMO
C[N@@H+](Cc1cn([C@H]2CCN(c3sccc3C#N)C2=O)nn1)C(C)(C)C	ZINC000905786752	691174344	/nfs/dbraw/zinc/17/43/44/691174344.db2.gz	GIWSPXYEXDQMSU-AWEZNQCLSA-N	1	1	358.471	2.420	20	30		FEEDMO
CN1CC[N@@H+](C)CC(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)C1	ZINC000906626198	691294051	/nfs/dbraw/zinc/29/40/51/691294051.db2.gz	WMTKYYDOZKTFJF-AWEZNQCLSA-N	1	1	355.269	2.168	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2c[nH]c3ncc(Cl)cc23)CC1	ZINC000906925065	691345114	/nfs/dbraw/zinc/34/51/14/691345114.db2.gz	JPLHWWCSOLPWJE-UHFFFAOYSA-N	1	1	354.863	2.145	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@]2(C)C1	ZINC000907548999	691517907	/nfs/dbraw/zinc/51/79/07/691517907.db2.gz	RJQOCRNRZOMCJB-DOMZBBRYSA-N	1	1	373.400	2.149	20	30		FEEDMO
Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(Cl)cc1C#N	ZINC001164743547	720803643	/nfs/dbraw/zinc/80/36/43/720803643.db2.gz	GUAWFLZFJPTIGE-CABCVRRESA-N	1	1	370.844	2.047	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncc4c(c3C#N)CCCC4)CC[C@H]2C1	ZINC001164863003	720891027	/nfs/dbraw/zinc/89/10/27/720891027.db2.gz	SGJGXTUBYBAKGL-FXAWDEMLSA-N	1	1	370.497	2.006	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ncc4c(c3C#N)CCCC4)CC[C@@H]2C1	ZINC001164863009	720891034	/nfs/dbraw/zinc/89/10/34/720891034.db2.gz	SGJGXTUBYBAKGL-YLJYHZDGSA-N	1	1	370.497	2.006	20	30		FEEDMO
N#Cc1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1	ZINC001164870021	721052150	/nfs/dbraw/zinc/05/21/50/721052150.db2.gz	VHTDWUQXGDLERV-IAGOWNOFSA-N	1	1	369.856	2.481	20	30		FEEDMO
N#Cc1cnc2cc[nH]c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c1-2	ZINC001164880421	721127331	/nfs/dbraw/zinc/12/73/31/721127331.db2.gz	WLENDNSNJJULAX-ZWKOTPCHSA-N	1	1	374.448	2.309	20	30		FEEDMO
Cc1ccc(CC#N)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164877637	721157086	/nfs/dbraw/zinc/15/70/86/721157086.db2.gz	PKRQYJKBGIVVNL-PMACEKPBSA-N	1	1	363.465	2.331	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5[nH]c(C#N)cc5n4)C[C@H]3C2)cn1	ZINC001164771484	721187146	/nfs/dbraw/zinc/18/71/46/721187146.db2.gz	QLHHQIYLPBVFJL-HZPDHXFCSA-N	1	1	361.453	2.126	20	30		FEEDMO
Cc1ccc(CC#N)c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1	ZINC001164763213	721209106	/nfs/dbraw/zinc/20/91/06/721209106.db2.gz	DSLSEUPYYNSKMR-RTBURBONSA-N	1	1	350.470	2.148	20	30		FEEDMO
Cc1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N	ZINC001164980686	722103334	/nfs/dbraw/zinc/10/33/34/722103334.db2.gz	JYCGMPJYFUEBHE-ICSRJNTNSA-N	1	1	363.465	2.384	20	30		FEEDMO
N#Cc1c(F)cccc1-n1ccc(NC(=O)CCCC[NH+]2CCOCC2)n1	ZINC000512140849	808425680	/nfs/dbraw/zinc/42/56/80/808425680.db2.gz	ZZFYVXSDKKOYQR-UHFFFAOYSA-N	1	1	371.416	2.324	20	30		FEEDMO
C[C@H]1CCN(C(=O)CNc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1	ZINC000502072292	813809998	/nfs/dbraw/zinc/80/99/98/813809998.db2.gz	UATLEGPZCSNDEN-KRWDZBQOSA-N	1	1	363.465	2.488	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Nc2ccn(CCC#N)n2)cc1	ZINC000528988776	829657755	/nfs/dbraw/zinc/65/77/55/829657755.db2.gz	ZQDXOHJWXXTMTD-MRXNPFEDSA-N	1	1	368.441	2.201	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Nc2ccn(CCC#N)n2)cc1	ZINC000528988776	829657757	/nfs/dbraw/zinc/65/77/57/829657757.db2.gz	ZQDXOHJWXXTMTD-MRXNPFEDSA-N	1	1	368.441	2.201	20	30		FEEDMO
C[C@H](NC(=O)CNc1ccc(C#N)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000490834399	887340591	/nfs/dbraw/zinc/34/05/91/887340591.db2.gz	MLSRXPMRKGVGKW-QFBILLFUSA-N	1	1	363.465	2.392	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)CNc1ccc(C#N)cn1)C1CC1	ZINC000482259265	887351638	/nfs/dbraw/zinc/35/16/38/887351638.db2.gz	GKXSCQUIAAIENN-IBGZPJMESA-N	1	1	363.465	2.392	20	30		FEEDMO
CNC(=O)c1ccc(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)cc1	ZINC000007996064	539474044	/nfs/dbraw/zinc/47/40/44/539474044.db2.gz	BJXUNOZUGQDGPY-UHFFFAOYSA-N	1	1	356.451	2.440	20	30		FEEDMO
N#Cc1cccc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1	ZINC000011035708	539523875	/nfs/dbraw/zinc/52/38/75/539523875.db2.gz	WLHOITUAEMCTGV-KRWDZBQOSA-N	1	1	360.377	2.166	20	30		FEEDMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000021053259	539680117	/nfs/dbraw/zinc/68/01/17/539680117.db2.gz	IOECVOOKJLPCEK-BZUAXINKSA-N	1	1	359.470	2.330	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1	ZINC000023828604	539721881	/nfs/dbraw/zinc/72/18/81/539721881.db2.gz	AVFFZYIINUTGDM-UHFFFAOYSA-N	1	1	358.467	2.488	20	30		FEEDMO
Cc1cccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c1	ZINC000025226496	539751812	/nfs/dbraw/zinc/75/18/12/539751812.db2.gz	BNTKWMLRFVLJDG-OAQYLSRUSA-N	1	1	365.477	2.424	20	30		FEEDMO
Cc1ccccc1C[NH+]1CCN(CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000025750349	539768554	/nfs/dbraw/zinc/76/85/54/539768554.db2.gz	QQJWZVBXWGAFGH-UHFFFAOYSA-N	1	1	354.498	2.455	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccccc1N1CCOCC1	ZINC000027552022	539809257	/nfs/dbraw/zinc/80/92/57/539809257.db2.gz	VPYCWBINQVAICY-HXUWFJFHSA-N	1	1	358.486	2.009	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccccc1N1CCOCC1	ZINC000027552022	539809260	/nfs/dbraw/zinc/80/92/60/539809260.db2.gz	VPYCWBINQVAICY-HXUWFJFHSA-N	1	1	358.486	2.009	20	30		FEEDMO
Cc1nc(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)ccc1C#N	ZINC000032728338	539949387	/nfs/dbraw/zinc/94/93/87/539949387.db2.gz	FVIQEBSODUITTM-INIZCTEOSA-N	1	1	363.465	2.202	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C[N@H+](C)C(C)C)CC1	ZINC000039564035	540002029	/nfs/dbraw/zinc/00/20/29/540002029.db2.gz	NRTSMLIAQOBTCO-UHFFFAOYSA-N	1	1	372.513	2.375	20	30		FEEDMO
C=CCOc1ccc(C(=O)NCCCCN2CC[NH+](C)CC2)cc1OC	ZINC000041350464	540017892	/nfs/dbraw/zinc/01/78/92/540017892.db2.gz	ZGAQAMOXSZVMMQ-UHFFFAOYSA-N	1	1	361.486	2.017	20	30		FEEDMO
COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000046528710	540260773	/nfs/dbraw/zinc/26/07/73/540260773.db2.gz	OHEGOMGOEQYTTL-SFHVURJKSA-N	1	1	354.406	2.217	20	30		FEEDMO
C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046530128	540260947	/nfs/dbraw/zinc/26/09/47/540260947.db2.gz	BUWLZLWDFIQWNK-MAUKXSAKSA-N	1	1	365.433	2.335	20	30		FEEDMO
C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000046530128	540260950	/nfs/dbraw/zinc/26/09/50/540260950.db2.gz	BUWLZLWDFIQWNK-MAUKXSAKSA-N	1	1	365.433	2.335	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1	ZINC000047415457	540308720	/nfs/dbraw/zinc/30/87/20/540308720.db2.gz	DKPYFOIWBGCIBB-KBPBESRZSA-N	1	1	358.486	2.033	20	30		FEEDMO
Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1	ZINC000047859031	540331264	/nfs/dbraw/zinc/33/12/64/540331264.db2.gz	HYKBJZYRRPMWAH-LJQANCHMSA-N	1	1	366.465	2.132	20	30		FEEDMO
CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)Cc1ccc(C#N)cc1)cc2=O	ZINC000052580716	540474621	/nfs/dbraw/zinc/47/46/21/540474621.db2.gz	ATFXNMRUIZCQQD-UHFFFAOYSA-N	1	1	365.393	2.115	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)CC1	ZINC000057153766	540773642	/nfs/dbraw/zinc/77/36/42/540773642.db2.gz	ZIGFDGCTYJIPNC-UHFFFAOYSA-N	1	1	368.477	2.462	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1	ZINC000057699784	540809027	/nfs/dbraw/zinc/80/90/27/540809027.db2.gz	FXBXCNNCOMWJQC-UHFFFAOYSA-N	1	1	372.469	2.228	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CC(=O)N2CCCC2)CC1	ZINC000061050258	541125686	/nfs/dbraw/zinc/12/56/86/541125686.db2.gz	WCMQMJVGFGTMDP-JXFKEZNVSA-N	1	1	362.518	2.154	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+](CCC(N)=O)Cc2ccccc2)cc1	ZINC000063483664	541170397	/nfs/dbraw/zinc/17/03/97/541170397.db2.gz	UHLQQFHOLRBPDN-UHFFFAOYSA-N	1	1	350.422	2.264	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000063710799	541181043	/nfs/dbraw/zinc/18/10/43/541181043.db2.gz	YUIMPEOANUNROX-CYBMUJFWSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC[N@@H+](CC(=O)NCC(C)(C)N1CCOCC1)[C@H](C)c1ccc(C#N)cc1	ZINC000066962076	541401118	/nfs/dbraw/zinc/40/11/18/541401118.db2.gz	OUFLYJMYHJMVET-QGZVFWFLSA-N	1	1	372.513	2.168	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000067397564	541456475	/nfs/dbraw/zinc/45/64/75/541456475.db2.gz	JNWYZWGJWRBQAQ-LSDHHAIUSA-N	1	1	372.469	2.132	20	30		FEEDMO
C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1	ZINC000543001981	541517105	/nfs/dbraw/zinc/51/71/05/541517105.db2.gz	XPGCPGBIRAFWOW-ZDUSSCGKSA-N	1	1	373.844	2.304	20	30		FEEDMO
C=CC[N@@H+](CCc1ccccc1)CC(=O)N[C@H](C(=O)NC)c1ccccc1	ZINC000068334402	541578676	/nfs/dbraw/zinc/57/86/76/541578676.db2.gz	FLGRYTZQRZPDJU-NRFANRHFSA-N	1	1	365.477	2.321	20	30		FEEDMO
C=CC[N@H+](CCc1ccccc1)CC(=O)N[C@H](C(=O)NC)c1ccccc1	ZINC000068334402	541578678	/nfs/dbraw/zinc/57/86/78/541578678.db2.gz	FLGRYTZQRZPDJU-NRFANRHFSA-N	1	1	365.477	2.321	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1	ZINC000068343923	541579836	/nfs/dbraw/zinc/57/98/36/541579836.db2.gz	PBSIZYIELFRIOV-SJORKVTESA-N	1	1	362.518	2.155	20	30		FEEDMO
C[C@@H](CC[NH+](C)C)NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000068598734	541613026	/nfs/dbraw/zinc/61/30/26/541613026.db2.gz	VKJPONMQUZLJJS-KRWDZBQOSA-N	1	1	357.502	2.116	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2C(N)=O)sc2c1CCCC2	ZINC000068756863	541625216	/nfs/dbraw/zinc/62/52/16/541625216.db2.gz	GOBHIMSXIMWTDE-AWEZNQCLSA-N	1	1	360.483	2.167	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2C(N)=O)sc2c1CCCC2	ZINC000068756863	541625220	/nfs/dbraw/zinc/62/52/20/541625220.db2.gz	GOBHIMSXIMWTDE-AWEZNQCLSA-N	1	1	360.483	2.167	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C	ZINC000069500696	541691676	/nfs/dbraw/zinc/69/16/76/541691676.db2.gz	FAKDNDXNOUSMDV-HKUYNNGSSA-N	1	1	359.470	2.189	20	30		FEEDMO
Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2C#N)CC1	ZINC000072073571	541782331	/nfs/dbraw/zinc/78/23/31/541782331.db2.gz	KTVVAWVOPPVFOQ-IBGZPJMESA-N	1	1	351.450	2.429	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000072664904	541847236	/nfs/dbraw/zinc/84/72/36/541847236.db2.gz	DXLMWUSSTACRHI-GJZGRUSLSA-N	1	1	359.430	2.065	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000072664904	541847239	/nfs/dbraw/zinc/84/72/39/541847239.db2.gz	DXLMWUSSTACRHI-GJZGRUSLSA-N	1	1	359.430	2.065	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000073793963	542001122	/nfs/dbraw/zinc/00/11/22/542001122.db2.gz	MXIXKUHDCZTGCZ-IBGZPJMESA-N	1	1	355.463	2.252	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000074659203	542110078	/nfs/dbraw/zinc/11/00/78/542110078.db2.gz	NPMPQPUKMBJPRA-SJORKVTESA-N	1	1	357.502	2.192	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000075969176	542221698	/nfs/dbraw/zinc/22/16/98/542221698.db2.gz	NPQCOVYGDQVUSR-RTWAWAEBSA-N	1	1	374.525	2.342	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000077538954	542394392	/nfs/dbraw/zinc/39/43/92/542394392.db2.gz	ZAYUYZWOYHYOJC-CQSZACIVSA-N	1	1	360.433	2.407	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC1CCN(CC#N)CC1	ZINC000077567491	542398757	/nfs/dbraw/zinc/39/87/57/542398757.db2.gz	YTBYWJLRLNUVJR-GOSISDBHSA-N	1	1	369.513	2.280	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1	ZINC000078451648	542462102	/nfs/dbraw/zinc/46/21/02/542462102.db2.gz	WIIIVDCEZCLQRL-VQTJNVASSA-N	1	1	354.498	2.343	20	30		FEEDMO
O=C(NCC#Cc1ccccc1)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000079953630	542553208	/nfs/dbraw/zinc/55/32/08/542553208.db2.gz	ININQQLKYUMHRU-UHFFFAOYSA-N	1	1	363.461	2.370	20	30		FEEDMO
C=CC[C@H](C)NC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000079856638	542546244	/nfs/dbraw/zinc/54/62/44/542546244.db2.gz	SPQMTVZMAAFDEE-INIZCTEOSA-N	1	1	358.486	2.479	20	30		FEEDMO
Cc1ccccc1C[NH+]1CCN(C(=O)CN(CCC#N)CC2CC2)CC1	ZINC000081044860	542627619	/nfs/dbraw/zinc/62/76/19/542627619.db2.gz	UEBJFOOODPXCHE-UHFFFAOYSA-N	1	1	354.498	2.265	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000081097804	542633019	/nfs/dbraw/zinc/63/30/19/542633019.db2.gz	QEVRFDCZJIIVNJ-SJORKVTESA-N	1	1	363.483	2.174	20	30		FEEDMO
C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000085789048	542732114	/nfs/dbraw/zinc/73/21/14/542732114.db2.gz	ICOXZBIUOYPQOI-INIZCTEOSA-N	1	1	367.471	2.254	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000087504349	542747425	/nfs/dbraw/zinc/74/74/25/542747425.db2.gz	PZFDSWFJBBIMPU-RDJZCZTQSA-N	1	1	362.470	2.376	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000087504349	542747429	/nfs/dbraw/zinc/74/74/29/542747429.db2.gz	PZFDSWFJBBIMPU-RDJZCZTQSA-N	1	1	362.470	2.376	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(c2[nH+]ccn2C)CC1	ZINC000089926636	542774589	/nfs/dbraw/zinc/77/45/89/542774589.db2.gz	AFJLKHJEZATNLQ-MRXNPFEDSA-N	1	1	373.526	2.207	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCCNC(=O)Cc2cccc(OCC#N)c2)C[C@H](C)O1	ZINC000090060934	542781386	/nfs/dbraw/zinc/78/13/86/542781386.db2.gz	VOJIFANVEYCDNU-CALCHBBNSA-N	1	1	359.470	2.137	20	30		FEEDMO
Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)n1	ZINC000091593745	542814497	/nfs/dbraw/zinc/81/44/97/542814497.db2.gz	NYUBPQBBRWOSBR-PMACEKPBSA-N	1	1	369.513	2.219	20	30		FEEDMO
Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)n1	ZINC000091593745	542814499	/nfs/dbraw/zinc/81/44/99/542814499.db2.gz	NYUBPQBBRWOSBR-PMACEKPBSA-N	1	1	369.513	2.219	20	30		FEEDMO
CC[C@](C)([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1nccs1	ZINC000092643085	542876804	/nfs/dbraw/zinc/87/68/04/542876804.db2.gz	YOYVQAJSIXLULR-YJBOKZPZSA-N	1	1	363.531	2.050	20	30		FEEDMO
COCC[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@@H](C)C(N)=O	ZINC000093139345	542912268	/nfs/dbraw/zinc/91/22/68/542912268.db2.gz	DRPFDQIKMQBOCN-INIZCTEOSA-N	1	1	367.449	2.459	20	30		FEEDMO
COCC[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@@H](C)C(N)=O	ZINC000093139345	542912270	/nfs/dbraw/zinc/91/22/70/542912270.db2.gz	DRPFDQIKMQBOCN-INIZCTEOSA-N	1	1	367.449	2.459	20	30		FEEDMO
COC(=O)C(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000093298062	542924639	/nfs/dbraw/zinc/92/46/39/542924639.db2.gz	QAGGLGCUMHEFPK-ROUUACIJSA-N	1	1	374.481	2.404	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000093329169	542927280	/nfs/dbraw/zinc/92/72/80/542927280.db2.gz	QMQQIFRYJYLJIY-AWEZNQCLSA-N	1	1	370.375	2.316	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2c1	ZINC000093534374	542933974	/nfs/dbraw/zinc/93/39/74/542933974.db2.gz	NVNFNFHHUOMCFC-AWEZNQCLSA-N	1	1	363.381	2.196	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2c1	ZINC000093534374	542933978	/nfs/dbraw/zinc/93/39/78/542933978.db2.gz	NVNFNFHHUOMCFC-AWEZNQCLSA-N	1	1	363.381	2.196	20	30		FEEDMO
N#CCCN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1ccco1	ZINC000096970492	543001074	/nfs/dbraw/zinc/00/10/74/543001074.db2.gz	WIRJCITVHONQRL-UHFFFAOYSA-N	1	1	366.465	2.340	20	30		FEEDMO
CC[N@@H+](CCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(C)C	ZINC000102479521	543071132	/nfs/dbraw/zinc/07/11/32/543071132.db2.gz	BMZAGYMVFKOOCD-UHFFFAOYSA-N	1	1	365.499	2.224	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)[N@@H+](C)C1CC1	ZINC000105267914	543167486	/nfs/dbraw/zinc/16/74/86/543167486.db2.gz	IOVUGNHJYOQJAX-INIZCTEOSA-N	1	1	355.486	2.263	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000108619115	543298604	/nfs/dbraw/zinc/29/86/04/543298604.db2.gz	HZGDFUCPTUIODH-HNNXBMFYSA-N	1	1	372.494	2.231	20	30		FEEDMO
CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000114187349	543506845	/nfs/dbraw/zinc/50/68/45/543506845.db2.gz	HFWMOGDSEMIHDR-ZWKOTPCHSA-N	1	1	367.453	2.308	20	30		FEEDMO
CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000114187349	543506847	/nfs/dbraw/zinc/50/68/47/543506847.db2.gz	HFWMOGDSEMIHDR-ZWKOTPCHSA-N	1	1	367.453	2.308	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)CNc2ccc(C#N)cc2)[C@H](C)C1	ZINC000115486671	543570277	/nfs/dbraw/zinc/57/02/77/543570277.db2.gz	FRBHIQVKHSFQEI-VQIMIIECSA-N	1	1	358.486	2.223	20	30		FEEDMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCCC1	ZINC000118132558	543647480	/nfs/dbraw/zinc/64/74/80/543647480.db2.gz	WFGQGJLNQIIXIG-UHFFFAOYSA-N	1	1	356.470	2.417	20	30		FEEDMO
COc1cc(/C=C/C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCC#N	ZINC000120911201	543686736	/nfs/dbraw/zinc/68/67/36/543686736.db2.gz	OCYIDDPWPNRGEI-YFZXXLGGSA-N	1	1	357.454	2.409	20	30		FEEDMO
CC(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000119854211	543672853	/nfs/dbraw/zinc/67/28/53/543672853.db2.gz	VOTXPQJCWBHXAC-INIZCTEOSA-N	1	1	356.470	2.264	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C	ZINC000120458384	543680308	/nfs/dbraw/zinc/68/03/08/543680308.db2.gz	YGASEBXMVBWUTR-RHSMWYFYSA-N	1	1	356.470	2.367	20	30		FEEDMO
C=CCC[C@H](O)C[NH+]1CCN(C(=O)COc2ccc(Cl)cc2)CC1	ZINC000123234223	543749904	/nfs/dbraw/zinc/74/99/04/543749904.db2.gz	LSMZZLGXPXHSGF-INIZCTEOSA-N	1	1	352.862	2.190	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1	ZINC000123376844	543758210	/nfs/dbraw/zinc/75/82/10/543758210.db2.gz	IMMHAIUBBZUZGE-QGZVFWFLSA-N	1	1	373.476	2.261	20	30		FEEDMO
Cc1cccc(NCCNS(=O)(=O)c2cccc(Cl)c2C#N)[nH+]1	ZINC000124304935	543813220	/nfs/dbraw/zinc/81/32/20/543813220.db2.gz	FMTJCKMQRZYQIF-UHFFFAOYSA-N	1	1	350.831	2.306	20	30		FEEDMO
CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000124009643	543796399	/nfs/dbraw/zinc/79/63/99/543796399.db2.gz	VJHCNVURKLUWMS-IRXDYDNUSA-N	1	1	362.518	2.346	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)c1c(F)cc(C#N)cc1F)C1CCCCC1	ZINC000124621451	543833571	/nfs/dbraw/zinc/83/35/71/543833571.db2.gz	LMXBHDZJKWURRP-UHFFFAOYSA-N	1	1	357.426	2.379	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)c1c(F)cc(C#N)cc1F)C1CCCCC1	ZINC000124621451	543833573	/nfs/dbraw/zinc/83/35/73/543833573.db2.gz	LMXBHDZJKWURRP-UHFFFAOYSA-N	1	1	357.426	2.379	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1	ZINC000125656630	543894445	/nfs/dbraw/zinc/89/44/45/543894445.db2.gz	QIWBYNZAQVLYFB-SNVBAGLBSA-N	1	1	373.379	2.008	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)CC[C@@H]21	ZINC000126881749	543961490	/nfs/dbraw/zinc/96/14/90/543961490.db2.gz	UFUMQZOVZUFPNR-DOMZBBRYSA-N	1	1	353.875	2.316	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1	ZINC000127308723	543984885	/nfs/dbraw/zinc/98/48/85/543984885.db2.gz	JIQUMJHKJKHGGW-GOSISDBHSA-N	1	1	353.510	2.384	20	30		FEEDMO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)c1C#N	ZINC000128158833	544036312	/nfs/dbraw/zinc/03/63/12/544036312.db2.gz	HZPUCZLYSCLJLY-UHFFFAOYSA-N	1	1	367.388	2.215	20	30		FEEDMO
Cc1oc(NC(=O)CN2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C	ZINC000129685757	544123492	/nfs/dbraw/zinc/12/34/92/544123492.db2.gz	MVEULBOWDRPJGT-VBQJREDUSA-N	1	1	374.485	2.280	20	30		FEEDMO
Cc1oc(NC(=O)CN2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C	ZINC000129685757	544123494	/nfs/dbraw/zinc/12/34/94/544123494.db2.gz	MVEULBOWDRPJGT-VBQJREDUSA-N	1	1	374.485	2.280	20	30		FEEDMO
C#CCOCCC(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1	ZINC000130470953	544152519	/nfs/dbraw/zinc/15/25/19/544152519.db2.gz	ZXJWGHRPNNWULF-UHFFFAOYSA-N	1	1	373.497	2.170	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[N@H+]1C1CC1	ZINC000130508878	544153648	/nfs/dbraw/zinc/15/36/48/544153648.db2.gz	DFBIPXYTBVWTFG-IMFGXOCKSA-N	1	1	367.497	2.031	20	30		FEEDMO
C=C(C)COCCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1	ZINC000135031734	544331512	/nfs/dbraw/zinc/33/15/12/544331512.db2.gz	UTQMEGSVZHOLNW-QGZVFWFLSA-N	1	1	361.486	2.299	20	30		FEEDMO
C=C(C)COCCNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1	ZINC000135031734	544331514	/nfs/dbraw/zinc/33/15/14/544331514.db2.gz	UTQMEGSVZHOLNW-QGZVFWFLSA-N	1	1	361.486	2.299	20	30		FEEDMO
COC(=O)c1cccc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)c1	ZINC000142487153	544417022	/nfs/dbraw/zinc/41/70/22/544417022.db2.gz	JYNWIOORIIFCBU-UHFFFAOYSA-N	1	1	350.422	2.452	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000151376457	544534324	/nfs/dbraw/zinc/53/43/24/544534324.db2.gz	MMCQNJJFIVVGQY-QUCCMNQESA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000151376457	544534328	/nfs/dbraw/zinc/53/43/28/544534328.db2.gz	MMCQNJJFIVVGQY-QUCCMNQESA-N	1	1	364.449	2.363	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1	ZINC000151919064	544595325	/nfs/dbraw/zinc/59/53/25/544595325.db2.gz	LGZDEVHOHPRUDE-GDBMZVCRSA-N	1	1	357.454	2.321	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1)C1(C#N)CCCCC1	ZINC000152467628	544657853	/nfs/dbraw/zinc/65/78/53/544657853.db2.gz	BVAYGQYEJLJAPU-MRXNPFEDSA-N	1	1	370.501	2.477	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1)C1(C#N)CCCCC1	ZINC000152467628	544657857	/nfs/dbraw/zinc/65/78/57/544657857.db2.gz	BVAYGQYEJLJAPU-MRXNPFEDSA-N	1	1	370.501	2.477	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)c1cc(C2CC2)nc(SC)c1C#N	ZINC000152366466	544644096	/nfs/dbraw/zinc/64/40/96/544644096.db2.gz	CDHCKYFJEZAFFO-UHFFFAOYSA-N	1	1	362.499	2.251	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(N2CCCCC2=O)CC1	ZINC000153071862	544729721	/nfs/dbraw/zinc/72/97/21/544729721.db2.gz	CLJXVUWWELQIFJ-OAHLLOKOSA-N	1	1	354.454	2.362	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H](C)C[NH+]1CCOCC1	ZINC000152788501	544695882	/nfs/dbraw/zinc/69/58/82/544695882.db2.gz	YWIGIRAFBXTXIY-OAHLLOKOSA-N	1	1	360.458	2.435	20	30		FEEDMO
C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153271702	544755423	/nfs/dbraw/zinc/75/54/23/544755423.db2.gz	RUASPGBWDSSPRY-CQSZACIVSA-N	1	1	366.469	2.096	20	30		FEEDMO
C[C@@H](CNC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000153290980	544757408	/nfs/dbraw/zinc/75/74/08/544757408.db2.gz	DZEYCEJDUYQDAD-LSDHHAIUSA-N	1	1	368.485	2.036	20	30		FEEDMO
Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1F	ZINC000153327404	544762609	/nfs/dbraw/zinc/76/26/09/544762609.db2.gz	SJUXFVNYSHHKSS-GFCCVEGCSA-N	1	1	358.421	2.203	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCOc2ccc(C#N)cc2)CC1	ZINC000153984438	544848242	/nfs/dbraw/zinc/84/82/42/544848242.db2.gz	MWOBQWSSMGTIJY-KDURUIRLSA-N	1	1	356.514	2.427	20	30		FEEDMO
N#Cc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1O	ZINC000189198661	328134283	/nfs/dbraw/zinc/13/42/83/328134283.db2.gz	ZNMLTZMHWGOMHX-IBGZPJMESA-N	1	1	365.433	2.151	20	30		FEEDMO
N#Cc1cccc(OCc2ccoc2C(=O)NCC[N@@H+]2CCCOCC2)c1	ZINC000189440684	328148533	/nfs/dbraw/zinc/14/85/33/328148533.db2.gz	UTOOTUYITCQJSH-UHFFFAOYSA-N	1	1	369.421	2.182	20	30		FEEDMO
N#Cc1cccc(OCc2ccoc2C(=O)NCC[N@H+]2CCCOCC2)c1	ZINC000189440684	328148534	/nfs/dbraw/zinc/14/85/34/328148534.db2.gz	UTOOTUYITCQJSH-UHFFFAOYSA-N	1	1	369.421	2.182	20	30		FEEDMO
COCCO[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000189676571	328161666	/nfs/dbraw/zinc/16/16/66/328161666.db2.gz	VOFUAFOZXWCIPU-ZDUSSCGKSA-N	1	1	363.483	2.174	20	30		FEEDMO
CCOC(=O)c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1	ZINC000190837648	328235437	/nfs/dbraw/zinc/23/54/37/328235437.db2.gz	CXJVJQMWDOGYCW-KRWDZBQOSA-N	1	1	367.405	2.219	20	30		FEEDMO
C[C@@]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)(C(N)=O)c1ccccc1	ZINC000192651478	328331025	/nfs/dbraw/zinc/33/10/25/328331025.db2.gz	MSIXJCSRBQOVLE-RXVVDRJESA-N	1	1	362.433	2.044	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000194088720	328410651	/nfs/dbraw/zinc/41/06/51/328410651.db2.gz	UQHUDULUQKOBAH-UHFFFAOYSA-N	1	1	372.469	2.117	20	30		FEEDMO
N#Cc1cccnc1N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000079389194	325088447	/nfs/dbraw/zinc/08/84/47/325088447.db2.gz	SENRZONTVPXWPI-UHFFFAOYSA-N	1	1	367.409	2.453	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(OC[C@H]4CCCO4)CC3)C2=O)cc1	ZINC000083413321	325218783	/nfs/dbraw/zinc/21/87/83/325218783.db2.gz	ANSUYGSMOZMCKD-WOJBJXKFSA-N	1	1	369.465	2.324	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cc(C#N)cs3)cc2)CC1	ZINC000084085438	325228269	/nfs/dbraw/zinc/22/82/69/325228269.db2.gz	FDZBRVYDDRFOPQ-UHFFFAOYSA-N	1	1	368.462	2.189	20	30		FEEDMO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1	ZINC000088775438	325300650	/nfs/dbraw/zinc/30/06/50/325300650.db2.gz	LUXUNRBDDICOIR-ZDUSSCGKSA-N	1	1	360.845	2.283	20	30		FEEDMO
Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089943028	325344056	/nfs/dbraw/zinc/34/40/56/325344056.db2.gz	LJEBJCWFQLDCJN-AWEZNQCLSA-N	1	1	354.458	2.372	20	30		FEEDMO
C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(C#N)cn2)C[C@H](C)O1	ZINC000107452214	325628371	/nfs/dbraw/zinc/62/83/71/325628371.db2.gz	OGOFUQYYJPEJPI-HOTGVXAUSA-N	1	1	364.449	2.492	20	30		FEEDMO
C[C@@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000125675262	326475878	/nfs/dbraw/zinc/47/58/78/326475878.db2.gz	NBULCCDOGUOWIS-HNNXBMFYSA-N	1	1	370.478	2.457	20	30		FEEDMO
C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000125714049	326476662	/nfs/dbraw/zinc/47/66/62/326476662.db2.gz	KKHHGJOSFLCABY-OAHLLOKOSA-N	1	1	370.478	2.457	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCN(c2ccccc2C#N)CC1	ZINC000171216139	327125327	/nfs/dbraw/zinc/12/53/27/327125327.db2.gz	PVQUZZYKCHLTRY-INIZCTEOSA-N	1	1	366.469	2.231	20	30		FEEDMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCOc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000173800156	327284993	/nfs/dbraw/zinc/28/49/93/327284993.db2.gz	GNEXBFNDQAMZAS-HOTGVXAUSA-N	1	1	374.485	2.124	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CC[C@H](CO)C2)c1C#N	ZINC000174704780	327344497	/nfs/dbraw/zinc/34/44/97/327344497.db2.gz	ITAATFLGNYXWFW-SFHVURJKSA-N	1	1	366.465	2.278	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CC[C@H](CO)C2)c1C#N	ZINC000174704780	327344498	/nfs/dbraw/zinc/34/44/98/327344498.db2.gz	ITAATFLGNYXWFW-SFHVURJKSA-N	1	1	366.465	2.278	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C	ZINC000175068743	327371885	/nfs/dbraw/zinc/37/18/85/327371885.db2.gz	RUYRYXWCWZEBIU-SJORKVTESA-N	1	1	370.497	2.270	20	30		FEEDMO
CCC(CC)[C@H](CNC(=O)COc1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000248231716	328712387	/nfs/dbraw/zinc/71/23/87/328712387.db2.gz	AONQNQJXEOYLEE-IBGZPJMESA-N	1	1	359.470	2.190	20	30		FEEDMO
CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264156579	328995841	/nfs/dbraw/zinc/99/58/41/328995841.db2.gz	VBFJDGLRMAWRDJ-UHFFFAOYSA-N	1	1	358.442	2.026	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCNC(=O)C[C@H]1c1ccccc1	ZINC000264229932	329002404	/nfs/dbraw/zinc/00/24/04/329002404.db2.gz	RFIOAFORDZDZPJ-IBGZPJMESA-N	1	1	362.433	2.450	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000264288328	329007406	/nfs/dbraw/zinc/00/74/06/329007406.db2.gz	TYVVODRAGFEMQB-GPMSIDNRSA-N	1	1	356.470	2.341	20	30		FEEDMO
C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000266782083	329259330	/nfs/dbraw/zinc/25/93/30/329259330.db2.gz	XTYJBUAQQBVSJG-KRWDZBQOSA-N	1	1	372.469	2.116	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000266782083	329259331	/nfs/dbraw/zinc/25/93/31/329259331.db2.gz	XTYJBUAQQBVSJG-KRWDZBQOSA-N	1	1	372.469	2.116	20	30		FEEDMO
CC[N@@H+](CCCO)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1	ZINC000266869747	329267481	/nfs/dbraw/zinc/26/74/81/329267481.db2.gz	PIWPQZSAMFBMKI-UHFFFAOYSA-N	1	1	358.442	2.261	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1c[nH+]c(N(C)C)n1C	ZINC000267642074	329346094	/nfs/dbraw/zinc/34/60/94/329346094.db2.gz	UEBSCCXMFJPVMI-UHFFFAOYSA-N	1	1	354.458	2.480	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000268161138	329392050	/nfs/dbraw/zinc/39/20/50/329392050.db2.gz	OMJUKSYCYSTRSF-QFBILLFUSA-N	1	1	367.497	2.263	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000275588596	330067171	/nfs/dbraw/zinc/06/71/71/330067171.db2.gz	JOOUJPBNYTYBNC-MRXNPFEDSA-N	1	1	357.458	2.085	20	30		FEEDMO
COc1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)ccc1C#N	ZINC000367036681	330209891	/nfs/dbraw/zinc/20/98/91/330209891.db2.gz	OXNFPGHXFOBFNI-MRXNPFEDSA-N	1	1	367.453	2.371	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[N@@H+]3CCCC[C@@H]3C)C2)n1	ZINC000377932282	330252819	/nfs/dbraw/zinc/25/28/19/330252819.db2.gz	OEKKYTXHUKKCDX-PKOBYXMFSA-N	1	1	369.513	2.469	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000416706002	330262350	/nfs/dbraw/zinc/26/23/50/330262350.db2.gz	MHGULFMDNDYAGV-UZLBHIALSA-N	1	1	369.513	2.261	20	30		FEEDMO
CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000440867069	330278030	/nfs/dbraw/zinc/27/80/30/330278030.db2.gz	XIQKGWMROHFKLQ-LBPRGKRZSA-N	1	1	361.389	2.340	20	30		FEEDMO
C[C@@H](C(=O)Nc1ncccn1)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000328636925	524308982	/nfs/dbraw/zinc/30/89/82/524308982.db2.gz	OIWDXMRXCASHBO-YQQAZPJKSA-N	1	1	371.489	2.202	20	30		FEEDMO
C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1	ZINC000328636925	524308987	/nfs/dbraw/zinc/30/89/87/524308987.db2.gz	OIWDXMRXCASHBO-YQQAZPJKSA-N	1	1	371.489	2.202	20	30		FEEDMO
C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1	ZINC000328636925	524308993	/nfs/dbraw/zinc/30/89/93/524308993.db2.gz	OIWDXMRXCASHBO-YQQAZPJKSA-N	1	1	371.489	2.202	20	30		FEEDMO
CO[C@@H]1CCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000155606252	545548655	/nfs/dbraw/zinc/54/86/55/545548655.db2.gz	LRTMXHJYNPWGBT-RTBURBONSA-N	1	1	356.470	2.343	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000156026341	545593692	/nfs/dbraw/zinc/59/36/92/545593692.db2.gz	CJLDOOFQDXXOLB-VQIMIIECSA-N	1	1	351.450	2.082	20	30		FEEDMO
COCC[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)c1ccc(C#N)cc1	ZINC000156332348	545618052	/nfs/dbraw/zinc/61/80/52/545618052.db2.gz	VCFQXKZYYNSAJM-SFHVURJKSA-N	1	1	354.406	2.469	20	30		FEEDMO
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)C[C@H](C)O)cc1	ZINC000156343645	545618916	/nfs/dbraw/zinc/61/89/16/545618916.db2.gz	VECLODAOCZLEBS-ZDUSSCGKSA-N	1	1	370.453	2.226	20	30		FEEDMO
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)C[C@H](C)O)cc1	ZINC000156343645	545618920	/nfs/dbraw/zinc/61/89/20/545618920.db2.gz	VECLODAOCZLEBS-ZDUSSCGKSA-N	1	1	370.453	2.226	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000156558111	545635423	/nfs/dbraw/zinc/63/54/23/545635423.db2.gz	GCGRRWCDRBNAGK-IBGZPJMESA-N	1	1	370.497	2.350	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000156623220	545640392	/nfs/dbraw/zinc/64/03/92/545640392.db2.gz	ZFAQXJCTSPQARI-IBGZPJMESA-N	1	1	370.497	2.350	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000156711733	545650912	/nfs/dbraw/zinc/65/09/12/545650912.db2.gz	PJCFKJAZSHFHMA-CYBMUJFWSA-N	1	1	353.463	2.486	20	30		FEEDMO
CCOc1ccnc(N2CCC[N@H+](Cc3cc(C#N)ccc3OC)CC2)n1	ZINC000157270270	545721778	/nfs/dbraw/zinc/72/17/78/545721778.db2.gz	PYAOFDQTYQRDFD-UHFFFAOYSA-N	1	1	367.453	2.468	20	30		FEEDMO
CCOc1ccnc(N2CCC[N@@H+](Cc3cc(C#N)ccc3OC)CC2)n1	ZINC000157270270	545721785	/nfs/dbraw/zinc/72/17/85/545721785.db2.gz	PYAOFDQTYQRDFD-UHFFFAOYSA-N	1	1	367.453	2.468	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000157356633	545730579	/nfs/dbraw/zinc/73/05/79/545730579.db2.gz	NIMKMTKNHZVBIO-CZUORRHYSA-N	1	1	360.845	2.093	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH+]1CCC(Oc2ccccc2Cl)CC1	ZINC000157363010	545732374	/nfs/dbraw/zinc/73/23/74/545732374.db2.gz	CLIFOOJLZNUWIH-UHFFFAOYSA-N	1	1	351.834	2.195	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000157382734	545734636	/nfs/dbraw/zinc/73/46/36/545734636.db2.gz	RABVCXBXKIDGEU-LLVKDONJSA-N	1	1	361.389	2.197	20	30		FEEDMO
COc1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1OCCCC#N	ZINC000157941926	545803087	/nfs/dbraw/zinc/80/30/87/545803087.db2.gz	AAEAEQVTSAINPF-UHFFFAOYSA-N	1	1	367.453	2.490	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccccc1	ZINC000478141513	561160720	/nfs/dbraw/zinc/16/07/20/561160720.db2.gz	CUHSBCGCWFEUEI-GOSISDBHSA-N	1	1	361.442	2.420	20	30		FEEDMO
N#CCCCS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1	ZINC000161831735	546134000	/nfs/dbraw/zinc/13/40/00/546134000.db2.gz	AIMMCOJJBMYQPS-HNNXBMFYSA-N	1	1	371.890	2.233	20	30		FEEDMO
CNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000164454543	546151503	/nfs/dbraw/zinc/15/15/03/546151503.db2.gz	KIJWDFMLAKHZPX-LJQANCHMSA-N	1	1	362.433	2.060	20	30		FEEDMO
CNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000164454543	546151508	/nfs/dbraw/zinc/15/15/08/546151508.db2.gz	KIJWDFMLAKHZPX-LJQANCHMSA-N	1	1	362.433	2.060	20	30		FEEDMO
C=CC[NH+]1CCC(N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1	ZINC000173398268	546280326	/nfs/dbraw/zinc/28/03/26/546280326.db2.gz	DNPJLJDPRJYFNZ-HNNXBMFYSA-N	1	1	351.516	2.238	20	30		FEEDMO
C[C@H]1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@H+]1Cc1ccccc1	ZINC000174430859	546296117	/nfs/dbraw/zinc/29/61/17/546296117.db2.gz	YRCYEDCWTWCRNB-UWJYYQICSA-N	1	1	354.498	2.391	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)NCC(C)(C)C#N)[C@H](c2ccccc2)C1	ZINC000479820269	561197768	/nfs/dbraw/zinc/19/77/68/561197768.db2.gz	XIIVBKCWSXWQEO-SFHVURJKSA-N	1	1	357.502	2.214	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)NCC(C)(C)C#N)[C@H](c2ccccc2)C1	ZINC000479820269	561197769	/nfs/dbraw/zinc/19/77/69/561197769.db2.gz	XIIVBKCWSXWQEO-SFHVURJKSA-N	1	1	357.502	2.214	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)NCC(C)(C)C#N)[C@H](c2ccccc2)C1	ZINC000479820269	561197770	/nfs/dbraw/zinc/19/77/70/561197770.db2.gz	XIIVBKCWSXWQEO-SFHVURJKSA-N	1	1	357.502	2.214	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000177440980	546618711	/nfs/dbraw/zinc/61/87/11/546618711.db2.gz	KJKDWGKIGKDTBV-HXUWFJFHSA-N	1	1	357.454	2.435	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000177440980	546618716	/nfs/dbraw/zinc/61/87/16/546618716.db2.gz	KJKDWGKIGKDTBV-HXUWFJFHSA-N	1	1	357.454	2.435	20	30		FEEDMO
C[C@@H](N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1)C(F)(F)F	ZINC000178709880	546836564	/nfs/dbraw/zinc/83/65/64/546836564.db2.gz	IHVLWBHOFHVABN-CYBMUJFWSA-N	1	1	354.376	2.455	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1	ZINC000481618163	561237507	/nfs/dbraw/zinc/23/75/07/561237507.db2.gz	CBDRNPPPLXXNDV-MRXNPFEDSA-N	1	1	361.461	2.203	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000481880094	561244572	/nfs/dbraw/zinc/24/45/72/561244572.db2.gz	SKPLIKPQOLOJFB-DLBZAZTESA-N	1	1	373.497	2.104	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000481880096	561244655	/nfs/dbraw/zinc/24/46/55/561244655.db2.gz	SKPLIKPQOLOJFB-IRXDYDNUSA-N	1	1	373.497	2.104	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1	ZINC000179473326	546960980	/nfs/dbraw/zinc/96/09/80/546960980.db2.gz	OEQHVWNRIRRXIS-IEBWSBKVSA-N	1	1	362.433	2.367	20	30		FEEDMO
COCCOC[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000180215732	547069424	/nfs/dbraw/zinc/06/94/24/547069424.db2.gz	LTGBRVFKBVWDTH-QGZVFWFLSA-N	1	1	354.454	2.444	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000180288278	547079874	/nfs/dbraw/zinc/07/98/74/547079874.db2.gz	OLFVWIHWEDTTCR-QGZVFWFLSA-N	1	1	351.454	2.259	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000180395273	547100605	/nfs/dbraw/zinc/10/06/05/547100605.db2.gz	MWQADIYNTGNFOS-UHFFFAOYSA-N	1	1	354.498	2.340	20	30		FEEDMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000180395273	547100607	/nfs/dbraw/zinc/10/06/07/547100607.db2.gz	MWQADIYNTGNFOS-UHFFFAOYSA-N	1	1	354.498	2.340	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000180414738	547105622	/nfs/dbraw/zinc/10/56/22/547105622.db2.gz	UUMMTTZARKIJRD-UONOGXRCSA-N	1	1	372.444	2.405	20	30		FEEDMO
CC#CCCNC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000482867230	561261761	/nfs/dbraw/zinc/26/17/61/561261761.db2.gz	HRLMGMYVYVYXER-UHFFFAOYSA-N	1	1	356.514	2.297	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](CC)O[C@]2(CCOC2)C1	ZINC000483148906	561268860	/nfs/dbraw/zinc/26/88/60/561268860.db2.gz	DOWQYINOUBPPMT-SVFBPWRDSA-N	1	1	361.482	2.425	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c1	ZINC000483308924	561273793	/nfs/dbraw/zinc/27/37/93/561273793.db2.gz	RCJASRXGGPSMQX-MJGOQNOKSA-N	1	1	359.470	2.022	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c1	ZINC000483308924	561273794	/nfs/dbraw/zinc/27/37/94/561273794.db2.gz	RCJASRXGGPSMQX-MJGOQNOKSA-N	1	1	359.470	2.022	20	30		FEEDMO
C[C@H]1OCC[C@H]1[N@@H+](CCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000483315586	561273964	/nfs/dbraw/zinc/27/39/64/561273964.db2.gz	OYDAWPSSFYRJCP-MLGOLLRUSA-N	1	1	351.834	2.012	20	30		FEEDMO
C[N@H+](Cc1ccc(C#N)cc1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1	ZINC000181959491	547413891	/nfs/dbraw/zinc/41/38/91/547413891.db2.gz	PXNTZFOXQYFYMG-LJQANCHMSA-N	1	1	358.463	2.301	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)cc1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1	ZINC000181959491	547413893	/nfs/dbraw/zinc/41/38/93/547413893.db2.gz	PXNTZFOXQYFYMG-LJQANCHMSA-N	1	1	358.463	2.301	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(F)c2F)CC1	ZINC000181976395	547416661	/nfs/dbraw/zinc/41/66/61/547416661.db2.gz	KDXCLEKTTAXAJV-WMLDXEAASA-N	1	1	364.440	2.308	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccnc(C)n2)CC1	ZINC000183794248	547720412	/nfs/dbraw/zinc/72/04/12/547720412.db2.gz	FJKBVNGAOGMMIE-IBGZPJMESA-N	1	1	368.481	2.075	20	30		FEEDMO
CC[N@@H+](CCO)CCNC(=O)c1cccc(OCc2ccccc2C#N)c1	ZINC000183920567	547740043	/nfs/dbraw/zinc/74/00/43/547740043.db2.gz	KMKNHEMKRPFFFD-UHFFFAOYSA-N	1	1	367.449	2.181	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1C#N	ZINC000184546246	547843034	/nfs/dbraw/zinc/84/30/34/547843034.db2.gz	MNSHLDAFYXGXCE-MRXNPFEDSA-N	1	1	373.501	2.493	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C	ZINC000185506169	547995303	/nfs/dbraw/zinc/99/53/03/547995303.db2.gz	JCRQNPWPKXRVCY-KRWDZBQOSA-N	1	1	373.478	2.457	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1	ZINC000185900228	548054310	/nfs/dbraw/zinc/05/43/10/548054310.db2.gz	PNOZFWQLUPDOBV-OAHLLOKOSA-N	1	1	373.478	2.366	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000186912285	548216624	/nfs/dbraw/zinc/21/66/24/548216624.db2.gz	KVEOJTGUSKIJJW-UHFFFAOYSA-N	1	1	354.498	2.124	20	30		FEEDMO
C=C(C)[C@H]([NH2+]CC(=O)N1CCC[C@@H](NC(C)=O)C1)c1ccc(F)c(F)c1	ZINC000187754623	548262208	/nfs/dbraw/zinc/26/22/08/548262208.db2.gz	PDBLDRZWFNKLRI-BEFAXECRSA-N	1	1	365.424	2.299	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1	ZINC000189200086	548297481	/nfs/dbraw/zinc/29/74/81/548297481.db2.gz	CVJYVCAVGOTJID-NRFANRHFSA-N	1	1	373.497	2.170	20	30		FEEDMO
COCCO[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000189654139	548307845	/nfs/dbraw/zinc/30/78/45/548307845.db2.gz	JXPXZIINIRRQBB-QGZVFWFLSA-N	1	1	365.861	2.324	20	30		FEEDMO
COCCO[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000189654139	548307849	/nfs/dbraw/zinc/30/78/49/548307849.db2.gz	JXPXZIINIRRQBB-QGZVFWFLSA-N	1	1	365.861	2.324	20	30		FEEDMO
C=CCN(CCOC)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000190836636	548335257	/nfs/dbraw/zinc/33/52/57/548335257.db2.gz	PLRFDSAQNBAKAM-LJQANCHMSA-N	1	1	361.486	2.122	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)C[N@H+](C)C1(CO)CCOCC1	ZINC000191026840	548339092	/nfs/dbraw/zinc/33/90/92/548339092.db2.gz	XVFCYQUSSBCTPL-UHFFFAOYSA-N	1	1	350.484	2.377	20	30		FEEDMO
COCC[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1	ZINC000193346738	548385309	/nfs/dbraw/zinc/38/53/09/548385309.db2.gz	ZWWCXUBWCNNYPZ-LJQANCHMSA-N	1	1	372.513	2.203	20	30		FEEDMO
C=CC[N@@H+](CCC(=O)NC(=O)NC)Cc1cc(Br)ccc1F	ZINC000195003203	548562893	/nfs/dbraw/zinc/56/28/93/548562893.db2.gz	LYVGGUNRWMWPIS-UHFFFAOYSA-N	1	1	372.238	2.422	20	30		FEEDMO
C=CC[N@H+](CCC(=O)NC(=O)NC)Cc1cc(Br)ccc1F	ZINC000195003203	548562896	/nfs/dbraw/zinc/56/28/96/548562896.db2.gz	LYVGGUNRWMWPIS-UHFFFAOYSA-N	1	1	372.238	2.422	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[C@H](Cc1ccccc1)C(=O)OCC	ZINC000487354982	561368210	/nfs/dbraw/zinc/36/82/10/561368210.db2.gz	OXTCRLWTICSREQ-BHIYHBOVSA-N	1	1	358.482	2.373	20	30		FEEDMO
COCCOC[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000245439818	548920410	/nfs/dbraw/zinc/92/04/10/548920410.db2.gz	GAJSIWJJTBCTDK-SFANZJOMSA-N	1	1	365.518	2.291	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCC[C@H]1C	ZINC000487978303	561380589	/nfs/dbraw/zinc/38/05/89/561380589.db2.gz	XNTHMPLDDOTTNX-CRAIPNDOSA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCC[C@H]1C	ZINC000487978303	561380590	/nfs/dbraw/zinc/38/05/90/561380590.db2.gz	XNTHMPLDDOTTNX-CRAIPNDOSA-N	1	1	350.484	2.469	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000488146883	561384565	/nfs/dbraw/zinc/38/45/65/561384565.db2.gz	PAIYTZHPRCZJBB-RLLQIKCJSA-N	1	1	369.509	2.438	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1C	ZINC000245874283	549007792	/nfs/dbraw/zinc/00/77/92/549007792.db2.gz	XKHARMZCLFAWAU-NVXWUHKLSA-N	1	1	356.470	2.136	20	30		FEEDMO
CCC[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1CCOC	ZINC000245926825	549020787	/nfs/dbraw/zinc/02/07/87/549020787.db2.gz	OSMQCPFGIVTSPN-UXHICEINSA-N	1	1	370.497	2.096	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C)C1	ZINC000246091160	549050178	/nfs/dbraw/zinc/05/01/78/549050178.db2.gz	NTAQRCGMGFMJSI-SJLPKXTDSA-N	1	1	372.469	2.310	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@H](CCC#N)c2ccccc2)[C@H](C)C1	ZINC000246091160	549050181	/nfs/dbraw/zinc/05/01/81/549050181.db2.gz	NTAQRCGMGFMJSI-SJLPKXTDSA-N	1	1	372.469	2.310	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000246097169	549051457	/nfs/dbraw/zinc/05/14/57/549051457.db2.gz	LLGSXRYSKJGCON-OLZOCXBDSA-N	1	1	353.875	2.459	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000246163547	549066630	/nfs/dbraw/zinc/06/66/30/549066630.db2.gz	RGDCSEICIYNAKH-GOEBONIOSA-N	1	1	364.453	2.303	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000246163547	549066635	/nfs/dbraw/zinc/06/66/35/549066635.db2.gz	RGDCSEICIYNAKH-GOEBONIOSA-N	1	1	364.453	2.303	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3ccccc3[C@@H]2C)CC1	ZINC000246165508	549068005	/nfs/dbraw/zinc/06/80/05/549068005.db2.gz	UXGAMKPEFQFXPJ-FXAWDEMLSA-N	1	1	354.498	2.298	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCO[C@@H](C#N)C1	ZINC000246285450	549096885	/nfs/dbraw/zinc/09/68/85/549096885.db2.gz	AIGFPZHRSMOJAA-OGWHTMIXSA-N	1	1	356.470	2.077	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000246410141	549126921	/nfs/dbraw/zinc/12/69/21/549126921.db2.gz	JXDUBKSMLQYWMR-YPMHNXCESA-N	1	1	373.400	2.434	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1C#N	ZINC000488678563	561394495	/nfs/dbraw/zinc/39/44/95/561394495.db2.gz	VQUWDGULEZJVPZ-KRWDZBQOSA-N	1	1	372.469	2.083	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1C#N	ZINC000488678563	561394496	/nfs/dbraw/zinc/39/44/96/561394496.db2.gz	VQUWDGULEZJVPZ-KRWDZBQOSA-N	1	1	372.469	2.083	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1	ZINC000246984279	549257798	/nfs/dbraw/zinc/25/77/98/549257798.db2.gz	JRQQFSXLHZLUNI-FUHWJXTLSA-N	1	1	359.470	2.110	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000247127465	549288106	/nfs/dbraw/zinc/28/81/06/549288106.db2.gz	NIMKMTKNHZVBIO-XJKSGUPXSA-N	1	1	360.845	2.093	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1	ZINC000248648993	549476654	/nfs/dbraw/zinc/47/66/54/549476654.db2.gz	RDNGEKVEMAXIMO-QFBILLFUSA-N	1	1	371.462	2.291	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1	ZINC000248648993	549476655	/nfs/dbraw/zinc/47/66/55/549476655.db2.gz	RDNGEKVEMAXIMO-QFBILLFUSA-N	1	1	371.462	2.291	20	30		FEEDMO
COCC[N@@H+](Cc1scnc1C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000489444906	561411544	/nfs/dbraw/zinc/41/15/44/561411544.db2.gz	XMNHFXHONYDUCZ-INIZCTEOSA-N	1	1	361.467	2.212	20	30		FEEDMO
COCC[N@H+](Cc1scnc1C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000489444906	561411545	/nfs/dbraw/zinc/41/15/45/561411545.db2.gz	XMNHFXHONYDUCZ-INIZCTEOSA-N	1	1	361.467	2.212	20	30		FEEDMO
C=CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000489566417	561414282	/nfs/dbraw/zinc/41/42/82/561414282.db2.gz	HHSGTSMNBQEQRZ-MRXNPFEDSA-N	1	1	368.499	2.164	20	30		FEEDMO
C=CCCCS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000489566417	561414283	/nfs/dbraw/zinc/41/42/83/561414283.db2.gz	HHSGTSMNBQEQRZ-MRXNPFEDSA-N	1	1	368.499	2.164	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1	ZINC000249439238	549592343	/nfs/dbraw/zinc/59/23/43/549592343.db2.gz	LRFDXEOEUVOULB-LPHOPBHVSA-N	1	1	358.486	2.223	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1	ZINC000489770959	561418765	/nfs/dbraw/zinc/41/87/65/561418765.db2.gz	HIRWNLXQRWTYAK-CYBMUJFWSA-N	1	1	371.407	2.380	20	30		FEEDMO
CCc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000261722147	549748030	/nfs/dbraw/zinc/74/80/30/549748030.db2.gz	NPZFWVSOAIUKOG-IBGZPJMESA-N	1	1	355.463	2.456	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1ccco1	ZINC000490287452	561430230	/nfs/dbraw/zinc/43/02/30/561430230.db2.gz	RMEKLPQDXXRJAL-CQSZACIVSA-N	1	1	360.801	2.162	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1	ZINC000263679185	549918653	/nfs/dbraw/zinc/91/86/53/549918653.db2.gz	MXAZHFRNWWOGBF-UHFFFAOYSA-N	1	1	365.264	2.351	20	30		FEEDMO
C#CCOc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1	ZINC000264577909	549998453	/nfs/dbraw/zinc/99/84/53/549998453.db2.gz	WYKWVDCZRLATPG-QGZVFWFLSA-N	1	1	371.481	2.265	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000264635799	549999028	/nfs/dbraw/zinc/99/90/28/549999028.db2.gz	XCTSFANQQVNUTG-ZDUSSCGKSA-N	1	1	371.466	2.341	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC3(CNC(=O)C3)CC2)cc1C	ZINC000267719583	550034370	/nfs/dbraw/zinc/03/43/70/550034370.db2.gz	YISDSRGFQPIOEG-UHFFFAOYSA-N	1	1	368.481	2.152	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)ccc1OCC#N	ZINC000268221152	550037890	/nfs/dbraw/zinc/03/78/90/550037890.db2.gz	LYCZXGGHCOYYJF-YDCQGFNMSA-N	1	1	355.438	2.210	20	30		FEEDMO
CC(C)(C)c1nc(CN2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)no1	ZINC000268637347	550097480	/nfs/dbraw/zinc/09/74/80/550097480.db2.gz	GHGWSHUCQAZUIX-QGZVFWFLSA-N	1	1	369.469	2.090	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)NC2(c3cccc(C#N)c3)CC2)CC1	ZINC000269682779	550216250	/nfs/dbraw/zinc/21/62/50/550216250.db2.gz	NBMBZMKFBSPYAT-QGZVFWFLSA-N	1	1	369.513	2.120	20	30		FEEDMO
C#CC[C@@H](NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1)c1ccccc1	ZINC000270478416	550275943	/nfs/dbraw/zinc/27/59/43/550275943.db2.gz	WFMNZWNDEOLZNT-AZUAARDMSA-N	1	1	356.514	2.324	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1C	ZINC000270981029	550328492	/nfs/dbraw/zinc/32/84/92/550328492.db2.gz	XHFUXAAPAMFZAT-IBGZPJMESA-N	1	1	368.481	2.247	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1C	ZINC000270981029	550328493	/nfs/dbraw/zinc/32/84/93/550328493.db2.gz	XHFUXAAPAMFZAT-IBGZPJMESA-N	1	1	368.481	2.247	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N(Cc2ccco2)c2ccccc2)CC1	ZINC000272055451	550419537	/nfs/dbraw/zinc/41/95/37/550419537.db2.gz	VKNUDEUPRKANLF-UHFFFAOYSA-N	1	1	351.450	2.454	20	30		FEEDMO
CC1(C#N)CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1	ZINC000272394860	550443475	/nfs/dbraw/zinc/44/34/75/550443475.db2.gz	AGFMTEPNLFMJRX-KRWDZBQOSA-N	1	1	369.469	2.294	20	30		FEEDMO
CC1(C#N)CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1	ZINC000272394860	550443477	/nfs/dbraw/zinc/44/34/77/550443477.db2.gz	AGFMTEPNLFMJRX-KRWDZBQOSA-N	1	1	369.469	2.294	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)[C@@H]2C1	ZINC000272405827	550444624	/nfs/dbraw/zinc/44/46/24/550444624.db2.gz	KPWKEPLLETVURK-BXUZGUMPSA-N	1	1	373.400	2.292	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000273072521	550483661	/nfs/dbraw/zinc/48/36/61/550483661.db2.gz	AFUKHNABMQHALL-WBVHZDCISA-N	1	1	358.442	2.332	20	30		FEEDMO
C[C@H](NCC(=O)NCc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000273314703	550493938	/nfs/dbraw/zinc/49/39/38/550493938.db2.gz	VGUOPGHVZMPHJC-LPHOPBHVSA-N	1	1	354.498	2.417	20	30		FEEDMO
COC(=O)COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1	ZINC000274891094	550562860	/nfs/dbraw/zinc/56/28/60/550562860.db2.gz	PRFUZTVYZCEEMA-UHFFFAOYSA-N	1	1	367.405	2.181	20	30		FEEDMO
COC(=O)COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)cc1	ZINC000274891094	550562861	/nfs/dbraw/zinc/56/28/61/550562861.db2.gz	PRFUZTVYZCEEMA-UHFFFAOYSA-N	1	1	367.405	2.181	20	30		FEEDMO
C=CC[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1	ZINC000275351363	550571849	/nfs/dbraw/zinc/57/18/49/550571849.db2.gz	SEIAKFQZIYYSOF-OALUTQOASA-N	1	1	357.498	2.405	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1	ZINC000276057392	550576220	/nfs/dbraw/zinc/57/62/20/550576220.db2.gz	KKFVUTQYOMIAQB-OAHLLOKOSA-N	1	1	357.454	2.347	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1cccnc1C#N	ZINC000276998043	550619964	/nfs/dbraw/zinc/61/99/64/550619964.db2.gz	JLPBXKFTQCYVIO-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1cccnc1C#N	ZINC000276998043	550619965	/nfs/dbraw/zinc/61/99/65/550619965.db2.gz	JLPBXKFTQCYVIO-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1	ZINC000279422957	550888609	/nfs/dbraw/zinc/88/86/09/550888609.db2.gz	ISJQLLGPMMOJTB-FGTMMUONSA-N	1	1	359.518	2.414	20	30		FEEDMO
COCCO[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000279482074	550895058	/nfs/dbraw/zinc/89/50/58/550895058.db2.gz	WWHMJTHHXGFKHC-SFHVURJKSA-N	1	1	355.442	2.096	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1	ZINC000279883272	550939092	/nfs/dbraw/zinc/93/90/92/550939092.db2.gz	CVJPKKWXVIHUEZ-WOJBJXKFSA-N	1	1	365.481	2.493	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)c3cc(C#N)oc3C)C2)cc(OC)c1	ZINC000280606204	551012683	/nfs/dbraw/zinc/01/26/83/551012683.db2.gz	JTVWMXWLURCBFC-HNNXBMFYSA-N	1	1	369.421	2.481	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)oc3C)C2)cc(OC)c1	ZINC000280606204	551012684	/nfs/dbraw/zinc/01/26/84/551012684.db2.gz	JTVWMXWLURCBFC-HNNXBMFYSA-N	1	1	369.421	2.481	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1	ZINC000280705965	551023529	/nfs/dbraw/zinc/02/35/29/551023529.db2.gz	HEYRDWUIJZKWMX-FQEVSTJZSA-N	1	1	352.438	2.196	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H]1C	ZINC000280790352	551032654	/nfs/dbraw/zinc/03/26/54/551032654.db2.gz	QZBLRCUUGVCDHF-BZUAXINKSA-N	1	1	373.453	2.071	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H]1C	ZINC000280790352	551032656	/nfs/dbraw/zinc/03/26/56/551032656.db2.gz	QZBLRCUUGVCDHF-BZUAXINKSA-N	1	1	373.453	2.071	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000280991529	551052389	/nfs/dbraw/zinc/05/23/89/551052389.db2.gz	JTRGITCTDKDVLJ-SFHVURJKSA-N	1	1	353.422	2.481	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000280991526	551052432	/nfs/dbraw/zinc/05/24/32/551052432.db2.gz	JTRGITCTDKDVLJ-GOSISDBHSA-N	1	1	353.422	2.481	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1	ZINC000281534159	551109815	/nfs/dbraw/zinc/10/98/15/551109815.db2.gz	WKRRNYDAOVGVLV-OTWHNJEPSA-N	1	1	362.495	2.347	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CCC(=O)Nc2ccccc2C#N)O1	ZINC000282348783	551215190	/nfs/dbraw/zinc/21/51/90/551215190.db2.gz	CLQRKYMBYDMHLX-LIRZEXBASA-N	1	1	371.437	2.070	20	30		FEEDMO
C=CCn1c(COc2ccc(OC)cc2)nnc1N1CC[NH+](C2CC2)CC1	ZINC000282351201	551215480	/nfs/dbraw/zinc/21/54/80/551215480.db2.gz	SISOGWCWAMQDNT-UHFFFAOYSA-N	1	1	369.469	2.336	20	30		FEEDMO
N#CC1CCC(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1	ZINC000282573068	551247587	/nfs/dbraw/zinc/24/75/87/551247587.db2.gz	DESPQCCDUXTZKH-LBXVMSDZSA-N	1	1	370.497	2.382	20	30		FEEDMO
COC(=O)[C@]1(C)C[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1C	ZINC000282604740	551251191	/nfs/dbraw/zinc/25/11/91/551251191.db2.gz	WSHSNUVXMQNTTD-FZKQIMNGSA-N	1	1	361.467	2.372	20	30		FEEDMO
COC(=O)[C@]1(C)C[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1C	ZINC000282604740	551251193	/nfs/dbraw/zinc/25/11/93/551251193.db2.gz	WSHSNUVXMQNTTD-FZKQIMNGSA-N	1	1	361.467	2.372	20	30		FEEDMO
CN1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[C@@H]1C#N	ZINC000282895312	551282644	/nfs/dbraw/zinc/28/26/44/551282644.db2.gz	XOXNMTOBTNPTPD-RBUKOAKNSA-N	1	1	369.513	2.136	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1	ZINC000283534110	551383158	/nfs/dbraw/zinc/38/31/58/551383158.db2.gz	DKSOICIYUBEUAK-QAPCUYQASA-N	1	1	356.470	2.068	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000283803056	551429758	/nfs/dbraw/zinc/42/97/58/551429758.db2.gz	AVFGNDMHUXLFHO-MOPGFXCFSA-N	1	1	368.481	2.038	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1	ZINC000283990846	551463480	/nfs/dbraw/zinc/46/34/80/551463480.db2.gz	JHJGEHDEJXXVJV-QGZVFWFLSA-N	1	1	370.497	2.143	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)Cc3noc(C)c3C#N)CC2)oc1C	ZINC000498529771	561527053	/nfs/dbraw/zinc/52/70/53/561527053.db2.gz	OZVMXGIPGYGFGQ-UHFFFAOYSA-N	1	1	371.441	2.030	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)cc2C1=O	ZINC000498585446	561529718	/nfs/dbraw/zinc/52/97/18/561529718.db2.gz	STRXPQFQBUHJQW-KBPBESRZSA-N	1	1	355.438	2.023	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C)[N@@H+](CC)C[C@H]3C)cc2C1=O	ZINC000498585448	561529725	/nfs/dbraw/zinc/52/97/25/561529725.db2.gz	STRXPQFQBUHJQW-UONOGXRCSA-N	1	1	355.438	2.023	20	30		FEEDMO
C[N@H+]1CCN(CC(=O)NCc2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1	ZINC000284927222	551669490	/nfs/dbraw/zinc/66/94/90/551669490.db2.gz	YCLIZPRTVVMSHG-NRFANRHFSA-N	1	1	362.477	2.033	20	30		FEEDMO
CCCCCC(=O)NC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000498647681	561531053	/nfs/dbraw/zinc/53/10/53/561531053.db2.gz	VRDUIHSXVXQYCD-UHFFFAOYSA-N	1	1	362.518	2.490	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)C1CC1	ZINC000286189077	551858945	/nfs/dbraw/zinc/85/89/45/551858945.db2.gz	XLCAFJCSVRAORF-ANTGDGSKSA-N	1	1	353.466	2.299	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286246631	551865272	/nfs/dbraw/zinc/86/52/72/551865272.db2.gz	MJSQLLWQEJTFRL-UWWQBHOKSA-N	1	1	358.461	2.322	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1C	ZINC000286321926	551874197	/nfs/dbraw/zinc/87/41/97/551874197.db2.gz	QAYSBBIERAPKKM-HYVNUMGLSA-N	1	1	358.461	2.465	20	30		FEEDMO
Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)CCC(N)=O)c1C#N	ZINC000286590999	551903373	/nfs/dbraw/zinc/90/33/73/551903373.db2.gz	VXSTWLNPBLXOBQ-UHFFFAOYSA-N	1	1	359.474	2.228	20	30		FEEDMO
Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+](C)CCC(N)=O)c1C#N	ZINC000286590999	551903374	/nfs/dbraw/zinc/90/33/74/551903374.db2.gz	VXSTWLNPBLXOBQ-UHFFFAOYSA-N	1	1	359.474	2.228	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(F)cc1	ZINC000286874530	551935388	/nfs/dbraw/zinc/93/53/88/551935388.db2.gz	YXKKJWLCNJCPMY-GOSISDBHSA-N	1	1	361.442	2.420	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000287018011	551952353	/nfs/dbraw/zinc/95/23/53/551952353.db2.gz	JNUSAHBCUUPTDI-MRXNPFEDSA-N	1	1	361.511	2.277	20	30		FEEDMO
CCOC(=O)CC(C)(C)CC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000287756740	552042732	/nfs/dbraw/zinc/04/27/32/552042732.db2.gz	LZGVPRIGOINSSE-HNNXBMFYSA-N	1	1	359.474	2.228	20	30		FEEDMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000288187114	552106618	/nfs/dbraw/zinc/10/66/18/552106618.db2.gz	BFTPKKAHFRAIAP-DLBZAZTESA-N	1	1	358.461	2.324	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C#N)o1	ZINC000288267809	552122153	/nfs/dbraw/zinc/12/21/53/552122153.db2.gz	ULHFOJIDWWZLGK-OAHLLOKOSA-N	1	1	359.451	2.436	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C#N)o1	ZINC000288267809	552122156	/nfs/dbraw/zinc/12/21/56/552122156.db2.gz	ULHFOJIDWWZLGK-OAHLLOKOSA-N	1	1	359.451	2.436	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289034039	552255901	/nfs/dbraw/zinc/25/59/01/552255901.db2.gz	GFJVEVUNBNXHRW-HKUYNNGSSA-N	1	1	357.498	2.438	20	30		FEEDMO
CC(C)(C#N)Cc1nc(-c2ccccc2C[N@@H+]2CCC[C@@H]2C(N)=O)no1	ZINC000289181809	552278599	/nfs/dbraw/zinc/27/85/99/552278599.db2.gz	VZDWUZZJLNHSEF-OAHLLOKOSA-N	1	1	353.426	2.279	20	30		FEEDMO
CC(C)(C#N)Cc1nc(-c2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)no1	ZINC000289181809	552278601	/nfs/dbraw/zinc/27/86/01/552278601.db2.gz	VZDWUZZJLNHSEF-OAHLLOKOSA-N	1	1	353.426	2.279	20	30		FEEDMO
COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(C#N)o3)C2=O)c(OC)c1	ZINC000290025797	552415778	/nfs/dbraw/zinc/41/57/78/552415778.db2.gz	DNYWYUWNXSZLKW-QGZVFWFLSA-N	1	1	355.394	2.059	20	30		FEEDMO
C=C(C)Cn1c(SC[C@@H](O)C[N@H+](C)C2CC2)nnc1-c1ccncc1	ZINC000290728552	552527303	/nfs/dbraw/zinc/52/73/03/552527303.db2.gz	FSIQGPHTUAFKHT-INIZCTEOSA-N	1	1	359.499	2.463	20	30		FEEDMO
COCC[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000291310989	552613390	/nfs/dbraw/zinc/61/33/90/552613390.db2.gz	SWWGZCOYHMAXBH-HNNXBMFYSA-N	1	1	351.834	2.278	20	30		FEEDMO
COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)ccc1C#N	ZINC000291519794	552633508	/nfs/dbraw/zinc/63/35/08/552633508.db2.gz	JADGUWSDJJUIFY-CYBMUJFWSA-N	1	1	355.360	2.457	20	30		FEEDMO
COc1cc(C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)ccc1C#N	ZINC000291519794	552633509	/nfs/dbraw/zinc/63/35/09/552633509.db2.gz	JADGUWSDJJUIFY-CYBMUJFWSA-N	1	1	355.360	2.457	20	30		FEEDMO
CC[C@@H](NC(=O)c1cc(C#N)ccn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000501290923	561594422	/nfs/dbraw/zinc/59/44/22/561594422.db2.gz	RZUDPLMAYFLCAR-UYAOXDASSA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@@H](NC(=O)c1cc(C#N)ccn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000501290923	561594423	/nfs/dbraw/zinc/59/44/23/561594423.db2.gz	RZUDPLMAYFLCAR-UYAOXDASSA-N	1	1	364.449	2.363	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@](CO)(c2ccccc2)C1	ZINC000291758742	552658801	/nfs/dbraw/zinc/65/88/01/552658801.db2.gz	KZLPSEWWSPTPAI-YLJYHZDGSA-N	1	1	355.482	2.354	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@](CO)(c2ccccc2)C1	ZINC000291758742	552658803	/nfs/dbraw/zinc/65/88/03/552658803.db2.gz	KZLPSEWWSPTPAI-YLJYHZDGSA-N	1	1	355.482	2.354	20	30		FEEDMO
COc1cc(O)c(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OC	ZINC000291823183	552665291	/nfs/dbraw/zinc/66/52/91/552665291.db2.gz	FEOLWYYWKMNJJP-OAHLLOKOSA-N	1	1	355.394	2.329	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@@H+]([C@H](C(=O)NC3CC3)c3ccccc3)C2)nc1	ZINC000292110507	552694888	/nfs/dbraw/zinc/69/48/88/552694888.db2.gz	HBFUMIWDYPHZDE-QUCCMNQESA-N	1	1	362.433	2.426	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+]([C@H](C(=O)NC3CC3)c3ccccc3)C2)nc1	ZINC000292110507	552694889	/nfs/dbraw/zinc/69/48/89/552694889.db2.gz	HBFUMIWDYPHZDE-QUCCMNQESA-N	1	1	362.433	2.426	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](C)C2)C1	ZINC000292195765	552703287	/nfs/dbraw/zinc/70/32/87/552703287.db2.gz	RTXQMHXCAMAZKG-LAUBAEHRSA-N	1	1	370.497	2.358	20	30		FEEDMO
CS(=O)(=O)C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000292717124	552752183	/nfs/dbraw/zinc/75/21/83/552752183.db2.gz	DULIVAQSYXASTD-MRXNPFEDSA-N	1	1	372.494	2.330	20	30		FEEDMO
CS(=O)(=O)C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000292717124	552752184	/nfs/dbraw/zinc/75/21/84/552752184.db2.gz	DULIVAQSYXASTD-MRXNPFEDSA-N	1	1	372.494	2.330	20	30		FEEDMO
CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CC(N)=O	ZINC000292717227	552752205	/nfs/dbraw/zinc/75/22/05/552752205.db2.gz	RUMOWFKZYZWKCQ-LBPRGKRZSA-N	1	1	362.499	2.269	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cnc(C4OCCO4)s3)C2)nc1	ZINC000292725713	552753089	/nfs/dbraw/zinc/75/30/89/552753089.db2.gz	FULQQOGWZWETGH-CYBMUJFWSA-N	1	1	358.423	2.108	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cnc(C4OCCO4)s3)C2)nc1	ZINC000292725713	552753091	/nfs/dbraw/zinc/75/30/91/552753091.db2.gz	FULQQOGWZWETGH-CYBMUJFWSA-N	1	1	358.423	2.108	20	30		FEEDMO
C=CCCCS(=O)(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1	ZINC000293214458	552799865	/nfs/dbraw/zinc/79/98/65/552799865.db2.gz	ZXZSRJSYWWAYMR-INIZCTEOSA-N	1	1	352.500	2.293	20	30		FEEDMO
C=CCCCS(=O)(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1	ZINC000293214458	552799866	/nfs/dbraw/zinc/79/98/66/552799866.db2.gz	ZXZSRJSYWWAYMR-INIZCTEOSA-N	1	1	352.500	2.293	20	30		FEEDMO
C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCOCCC#N)CC1	ZINC000293266613	552805072	/nfs/dbraw/zinc/80/50/72/552805072.db2.gz	XSURSPCISPIFRJ-AWEZNQCLSA-N	1	1	361.471	2.407	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC(C)C)c(Cl)c1	ZINC000293483570	552828253	/nfs/dbraw/zinc/82/82/53/552828253.db2.gz	VVUVRMLNIQAERV-UHFFFAOYSA-N	1	1	365.861	2.137	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21	ZINC000293892169	552865406	/nfs/dbraw/zinc/86/54/06/552865406.db2.gz	DPCAGYBUVDCUAP-UHFFFAOYSA-N	1	1	361.445	2.226	20	30		FEEDMO
CSc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)o2)[NH+](C)C)cc1	ZINC000293997618	552873808	/nfs/dbraw/zinc/87/38/08/552873808.db2.gz	FUMGFZNOQMLWPO-HNNXBMFYSA-N	1	1	365.480	2.454	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)cc1OC	ZINC000294005875	552874735	/nfs/dbraw/zinc/87/47/35/552874735.db2.gz	XXZWWPSTBQOHQK-DLBZAZTESA-N	1	1	360.454	2.195	20	30		FEEDMO
Cn1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1Cl	ZINC000294317715	552896549	/nfs/dbraw/zinc/89/65/49/552896549.db2.gz	HJSJNASNZQWADO-UHFFFAOYSA-N	1	1	357.845	2.293	20	30		FEEDMO
Cn1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1Cl	ZINC000294317715	552896551	/nfs/dbraw/zinc/89/65/51/552896551.db2.gz	HJSJNASNZQWADO-UHFFFAOYSA-N	1	1	357.845	2.293	20	30		FEEDMO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)CCC#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000295132499	552962190	/nfs/dbraw/zinc/96/21/90/552962190.db2.gz	JZKUZMITHVQTCY-SWLSCSKDSA-N	1	1	359.854	2.305	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNS(=O)(=O)CCC#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000295132499	552962191	/nfs/dbraw/zinc/96/21/91/552962191.db2.gz	JZKUZMITHVQTCY-SWLSCSKDSA-N	1	1	359.854	2.305	20	30		FEEDMO
CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1	ZINC000295689769	553044780	/nfs/dbraw/zinc/04/47/80/553044780.db2.gz	LLHXWRFVXUZCAA-HNNXBMFYSA-N	1	1	358.442	2.259	20	30		FEEDMO
COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)CC(C)(C)CC#N)cc1	ZINC000296035351	553093450	/nfs/dbraw/zinc/09/34/50/553093450.db2.gz	NUYUGQQYSLRXSO-INIZCTEOSA-N	1	1	353.488	2.157	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000297505093	553301629	/nfs/dbraw/zinc/30/16/29/553301629.db2.gz	LSUOETLFHJTQQB-LJQANCHMSA-N	1	1	355.482	2.168	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1	ZINC000298590384	553445740	/nfs/dbraw/zinc/44/57/40/553445740.db2.gz	IHNIVTKBUVGBLZ-IRXDYDNUSA-N	1	1	354.454	2.169	20	30		FEEDMO
C[C@H](C[NH+]1CCN(C)CC1)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000301400231	553648762	/nfs/dbraw/zinc/64/87/62/553648762.db2.gz	PQOYNPAKXKIRAD-CYBMUJFWSA-N	1	1	354.414	2.062	20	30		FEEDMO
C[C@H](CNc1nccc(C#N)c1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1	ZINC000301618837	553666152	/nfs/dbraw/zinc/66/61/52/553666152.db2.gz	DGDIOJLYDIKOAJ-OAHLLOKOSA-N	1	1	366.425	2.484	20	30		FEEDMO
N#Cc1ccc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c(C(F)(F)F)c1	ZINC000301971373	553695165	/nfs/dbraw/zinc/69/51/65/553695165.db2.gz	SFBFNFYGARREPF-INIZCTEOSA-N	1	1	366.387	2.496	20	30		FEEDMO
CC1(C)CN(CCNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1	ZINC000328613700	553796201	/nfs/dbraw/zinc/79/62/01/553796201.db2.gz	QOJJAAKSTBIKHB-SFHVURJKSA-N	1	1	366.550	2.398	20	30		FEEDMO
C[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)[C@@H]1CCCO1	ZINC000328634222	553800050	/nfs/dbraw/zinc/80/00/50/553800050.db2.gz	TUMLYAWSTUZPLG-UOVPBQLFSA-N	1	1	363.506	2.216	20	30		FEEDMO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1	ZINC000328654795	553803004	/nfs/dbraw/zinc/80/30/04/553803004.db2.gz	MBUCAUILFUMMTN-MJGOQNOKSA-N	1	1	371.460	2.360	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ncnn1C(C)(C)C	ZINC000328663207	553804396	/nfs/dbraw/zinc/80/43/96/553804396.db2.gz	XUDFOGZPTUVNHV-UHFFFAOYSA-N	1	1	356.434	2.074	20	30		FEEDMO
CCc1cc(N2CCC[C@H](NC(=O)NC[C@@H]3CCC[N@H+](CC)C3)C2)ncn1	ZINC000328713532	553811255	/nfs/dbraw/zinc/81/12/55/553811255.db2.gz	NTLNCZXLNJHMDQ-WMZOPIPTSA-N	1	1	374.533	2.243	20	30		FEEDMO
CCS(=O)(=O)N1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1	ZINC000328772847	553820257	/nfs/dbraw/zinc/82/02/57/553820257.db2.gz	BIYHYCGHZMZUQH-INIZCTEOSA-N	1	1	357.520	2.164	20	30		FEEDMO
CC[NH+]1CCN(C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1	ZINC000328786352	553822394	/nfs/dbraw/zinc/82/23/94/553822394.db2.gz	OPDWMOIVQWIOGO-QGZVFWFLSA-N	1	1	361.490	2.022	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)CCC2CCCC2)CC1	ZINC000328815662	553826858	/nfs/dbraw/zinc/82/68/58/553826858.db2.gz	OHADGGVHQCQHOW-KRWDZBQOSA-N	1	1	350.507	2.109	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1CCCO1)[NH+]1CCOCC1	ZINC000328872166	553836457	/nfs/dbraw/zinc/83/64/57/553836457.db2.gz	IQHOEJYFUYSCPK-KURKYZTESA-N	1	1	353.507	2.291	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H]([NH2+]CC(=O)NC2CCCCC2)CC(=O)N1C1CC1	ZINC000328945867	553851051	/nfs/dbraw/zinc/85/10/51/553851051.db2.gz	BAGWUURGGOOVHF-DNVCBOLYSA-N	1	1	359.474	2.103	20	30		FEEDMO
O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000328955832	553852807	/nfs/dbraw/zinc/85/28/07/553852807.db2.gz	ZBJXMTUCYFNWNC-CVEARBPZSA-N	1	1	356.426	2.076	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1[C@@H](C)OCC(=O)N1Cc1ccccc1	ZINC000328999605	553862223	/nfs/dbraw/zinc/86/22/23/553862223.db2.gz	XECZFIGDMDVARN-CWLMSFPYSA-N	1	1	371.481	2.242	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)NCCC1=CCCCC1	ZINC000329114148	553882549	/nfs/dbraw/zinc/88/25/49/553882549.db2.gz	HNYXHBBIWUTZIZ-FQEVSTJZSA-N	1	1	363.502	2.283	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)NCCC1=CCCCC1	ZINC000329114148	553882551	/nfs/dbraw/zinc/88/25/51/553882551.db2.gz	HNYXHBBIWUTZIZ-FQEVSTJZSA-N	1	1	363.502	2.283	20	30		FEEDMO
NC(=O)[C@]1(O)CCCN(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1	ZINC000329113224	553882627	/nfs/dbraw/zinc/88/26/27/553882627.db2.gz	HIWXDRUCTYSVMV-APWZRJJASA-N	1	1	366.506	2.307	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)NC1CCCCCC1	ZINC000329122712	553884030	/nfs/dbraw/zinc/88/40/30/553884030.db2.gz	KZSZIOGQDHDVPW-LJQANCHMSA-N	1	1	351.491	2.115	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)NC1CCCCCC1	ZINC000329122712	553884033	/nfs/dbraw/zinc/88/40/33/553884033.db2.gz	KZSZIOGQDHDVPW-LJQANCHMSA-N	1	1	351.491	2.115	20	30		FEEDMO
C[N@@H+](CC(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)[C@@H]1CCSC1	ZINC000329126317	553885237	/nfs/dbraw/zinc/88/52/37/553885237.db2.gz	UFGPUJQXSFQABT-VXGBXAGGSA-N	1	1	369.437	2.464	20	30		FEEDMO
C[C@H](CNC(=O)N1CCN(C(=O)C2CCCCC2)CC1)[N@@H+](C)C1CC1	ZINC000329126719	553885261	/nfs/dbraw/zinc/88/52/61/553885261.db2.gz	UKFLNGCRDAFJTK-OAHLLOKOSA-N	1	1	350.507	2.108	20	30		FEEDMO
CN1CCOC[C@H]1C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000329131675	553886550	/nfs/dbraw/zinc/88/65/50/553886550.db2.gz	OXKZILDVQOPEHC-RDJZCZTQSA-N	1	1	360.458	2.352	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1	ZINC000329144161	553888481	/nfs/dbraw/zinc/88/84/81/553888481.db2.gz	WCKBLQNCIHHLQK-KBPBESRZSA-N	1	1	371.528	2.342	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1	ZINC000329155821	553891020	/nfs/dbraw/zinc/89/10/20/553891020.db2.gz	VKPJYNKFGLIVAC-JKSUJKDBSA-N	1	1	350.507	2.108	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](Cc2ccc3cc(OC)ccc3c2)CC1	ZINC000506280973	561694806	/nfs/dbraw/zinc/69/48/06/561694806.db2.gz	MDHWKPJWUHZLOG-UHFFFAOYSA-N	1	1	353.466	2.268	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1	ZINC000329180514	553896735	/nfs/dbraw/zinc/89/67/35/553896735.db2.gz	DMJINVJVZXFASD-YTQUADARSA-N	1	1	359.470	2.416	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3c(F)cccc3Cl)[C@@H]2C1	ZINC000329257665	553912220	/nfs/dbraw/zinc/91/22/20/553912220.db2.gz	CBNHPRDQMJOESZ-BXUZGUMPSA-N	1	1	353.825	2.336	20	30		FEEDMO
CNC(=O)[C@@H]1CN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCO1	ZINC000329360129	553932567	/nfs/dbraw/zinc/93/25/67/553932567.db2.gz	CBRNMVOUWOTPKE-RDJZCZTQSA-N	1	1	374.485	2.307	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1	ZINC000329400031	553939276	/nfs/dbraw/zinc/93/92/76/553939276.db2.gz	YNTKRJRTVAKFQK-KQNFGGRRSA-N	1	1	374.529	2.250	20	30		FEEDMO
C[C@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[N@H+]1CCc2ccccc2C1	ZINC000329428173	553944973	/nfs/dbraw/zinc/94/49/73/553944973.db2.gz	GYMQOOCFDGDUDX-ZTFGCOKTSA-N	1	1	356.470	2.398	20	30		FEEDMO
CC(C)c1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC[C@@H](c3[nH]cc[nH+]3)C1)CC2	ZINC000329440744	553947176	/nfs/dbraw/zinc/94/71/76/553947176.db2.gz	MZBQUXXIXWGALI-ZIAGYGMSSA-N	1	1	357.462	2.233	20	30		FEEDMO
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CCC(=O)c4ccccc43)CC2)C1=O	ZINC000329471827	553953179	/nfs/dbraw/zinc/95/31/79/553953179.db2.gz	ZHCWCKJNKPMXQZ-ROUUACIJSA-N	1	1	369.465	2.398	20	30		FEEDMO
CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)O1	ZINC000329480390	553954398	/nfs/dbraw/zinc/95/43/98/553954398.db2.gz	CYBDDJVSXKGJCG-YESZJQIVSA-N	1	1	351.491	2.376	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2nnc3n2CCC3)C1	ZINC000329482769	553955413	/nfs/dbraw/zinc/95/54/13/553955413.db2.gz	DXNHEMBLFGSTKF-HZPDHXFCSA-N	1	1	360.506	2.225	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1	ZINC000329510344	553960249	/nfs/dbraw/zinc/96/02/49/553960249.db2.gz	KAKKQHJKHOGOPI-NZSAHSFTSA-N	1	1	359.470	2.416	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)[C@]12CCCO2	ZINC000329527783	553962169	/nfs/dbraw/zinc/96/21/69/553962169.db2.gz	SGNAHJJHWJZMQZ-YTGMWSOZSA-N	1	1	351.491	2.186	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@]12CCCO2	ZINC000329539411	553964271	/nfs/dbraw/zinc/96/42/71/553964271.db2.gz	MSULJPZUYMKOBQ-RWNCLZGFSA-N	1	1	351.491	2.184	20	30		FEEDMO
C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)NCCO[C@@H]1CCCC[C@H]1C	ZINC000329545021	553965132	/nfs/dbraw/zinc/96/51/32/553965132.db2.gz	GJKSUOJSKMYXCF-BRSBDYLESA-N	1	1	353.507	2.291	20	30		FEEDMO
CC[C@H](C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)[N@@H+](C)Cc1ccccc1	ZINC000329540327	553964599	/nfs/dbraw/zinc/96/45/99/553964599.db2.gz	WMKKHKMOSRNOQP-DLBZAZTESA-N	1	1	367.515	2.278	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@]12CCCO2	ZINC000329543237	553965108	/nfs/dbraw/zinc/96/51/08/553965108.db2.gz	YFCBTECTXGOXIN-BMFAXAFESA-N	1	1	352.475	2.313	20	30		FEEDMO
C[C@H](NC(=O)N1CCO[C@]2(CCCOC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000329580247	553971072	/nfs/dbraw/zinc/97/10/72/553971072.db2.gz	WVEBMVGRTIEYET-ABSDTBQOSA-N	1	1	365.518	2.435	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3ccc(-n4cccn4)cc3)[C@H]2C1	ZINC000329590056	553972744	/nfs/dbraw/zinc/97/27/44/553972744.db2.gz	ZNRVHDUFXMRCAT-MJGOQNOKSA-N	1	1	353.470	2.355	20	30		FEEDMO
O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCCN2c3ccccc3C[C@@H]2C1	ZINC000329637208	553980719	/nfs/dbraw/zinc/98/07/19/553980719.db2.gz	YOEZWFIEBOECED-FUHWJXTLSA-N	1	1	365.481	2.497	20	30		FEEDMO
COCC1(O)CCN(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1	ZINC000329710474	553993218	/nfs/dbraw/zinc/99/32/18/553993218.db2.gz	NSNIAWPFBGCRQE-CVEARBPZSA-N	1	1	353.507	2.027	20	30		FEEDMO
C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C	ZINC000329723505	553995308	/nfs/dbraw/zinc/99/53/08/553995308.db2.gz	BIHAZOIBAGPVQL-WCXIOVBPSA-N	1	1	366.506	2.231	20	30		FEEDMO
C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C	ZINC000329723505	553995313	/nfs/dbraw/zinc/99/53/13/553995313.db2.gz	BIHAZOIBAGPVQL-WCXIOVBPSA-N	1	1	366.506	2.231	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1	ZINC000329731296	553996366	/nfs/dbraw/zinc/99/63/66/553996366.db2.gz	IEEXWDIBGJPEID-JLOCXQCDSA-N	1	1	364.490	2.126	20	30		FEEDMO
COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(OC)c1	ZINC000329751179	553999831	/nfs/dbraw/zinc/99/98/31/553999831.db2.gz	VLUYRHRARKWHBM-LSDHHAIUSA-N	1	1	363.458	2.087	20	30		FEEDMO
COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)c(OC)c1	ZINC000329751179	553999835	/nfs/dbraw/zinc/99/98/35/553999835.db2.gz	VLUYRHRARKWHBM-LSDHHAIUSA-N	1	1	363.458	2.087	20	30		FEEDMO
C[C@H](NC(=O)N1CCC[C@H](S(C)(=O)=O)C1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000329752303	553999979	/nfs/dbraw/zinc/99/99/79/553999979.db2.gz	WEPCUBGGRTXPGW-ZOBUZTSGSA-N	1	1	371.547	2.062	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3nc4ccccc4o3)CC2)CC[N@H+]1C	ZINC000329794526	554007651	/nfs/dbraw/zinc/00/76/51/554007651.db2.gz	CCCMAFXMPSXEHJ-CABCVRRESA-N	1	1	357.458	2.347	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1	ZINC000329802524	554008727	/nfs/dbraw/zinc/00/87/27/554008727.db2.gz	ZDPIPHRVRBLDET-IKGGRYGDSA-N	1	1	371.547	2.064	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1	ZINC000329821469	554012486	/nfs/dbraw/zinc/01/24/86/554012486.db2.gz	PUQLEDJWDYOMLX-INIZCTEOSA-N	1	1	371.547	2.066	20	30		FEEDMO
C=C[C@@](C)(O)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2	ZINC000507191215	561720559	/nfs/dbraw/zinc/72/05/59/561720559.db2.gz	XXFLMJGBWBTYGN-PZJWPPBQSA-N	1	1	372.509	2.359	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1	ZINC000329867931	554021874	/nfs/dbraw/zinc/02/18/74/554021874.db2.gz	WTPPNNAJJBRASV-VBQJREDUSA-N	1	1	372.494	2.271	20	30		FEEDMO
CCN1CCCN(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1=O	ZINC000329869236	554022426	/nfs/dbraw/zinc/02/24/26/554022426.db2.gz	YMMWGZZHPSBORL-FUHWJXTLSA-N	1	1	358.486	2.290	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)O[C@]2(CCOC2)C1	ZINC000329964530	554040369	/nfs/dbraw/zinc/04/03/69/554040369.db2.gz	QQZRIYPTSNTNEX-YQVWRLOYSA-N	1	1	353.507	2.291	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCCc2c1cnn2C	ZINC000330000500	554047394	/nfs/dbraw/zinc/04/73/94/554047394.db2.gz	WMSJEDTUBNLODD-CQSZACIVSA-N	1	1	353.430	2.338	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[S@@](=O)C2)C1	ZINC000330036732	554053267	/nfs/dbraw/zinc/05/32/67/554053267.db2.gz	YMNFHOYUFKLKGN-LNJIKXCHSA-N	1	1	363.527	2.443	20	30		FEEDMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CCC2(CCCCC2)O1	ZINC000330078883	554060633	/nfs/dbraw/zinc/06/06/33/554060633.db2.gz	FSNVYXHTPRALGP-IAGOWNOFSA-N	1	1	352.523	2.008	20	30		FEEDMO
CC(=O)N1CC[C@H](NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1	ZINC000330111320	554066726	/nfs/dbraw/zinc/06/67/26/554066726.db2.gz	RDCZLCIKKOJZJF-APWZRJJASA-N	1	1	364.534	2.498	20	30		FEEDMO
Cc1nnc2n1C[C@H](CNC(=O)N1CC[NH+](C3CCCCC3)CC1)CC2	ZINC000330115569	554067151	/nfs/dbraw/zinc/06/71/51/554067151.db2.gz	FSUXSLYDICKGTJ-INIZCTEOSA-N	1	1	360.506	2.013	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)c(Cl)c1	ZINC000330229294	554089376	/nfs/dbraw/zinc/08/93/76/554089376.db2.gz	QBPUSOGLFBMZCU-GOSISDBHSA-N	1	1	358.873	2.487	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2ccc(C)c3c[nH]nc32)C[C@@H]1[NH+]1CCOCC1	ZINC000330258447	554094498	/nfs/dbraw/zinc/09/44/98/554094498.db2.gz	MKJQSLZBCYCEEC-PBHICJAKSA-N	1	1	357.458	2.459	20	30		FEEDMO
C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1	ZINC000330258101	554094635	/nfs/dbraw/zinc/09/46/35/554094635.db2.gz	RAXOTKOCFHQPLI-YJBOKZPZSA-N	1	1	365.518	2.359	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1	ZINC000330306739	554102855	/nfs/dbraw/zinc/10/28/55/554102855.db2.gz	RRBFUGWLVGISHB-AYOQOUSVSA-N	1	1	359.470	2.416	20	30		FEEDMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(F)cc2n[nH]nc21	ZINC000330305730	554102887	/nfs/dbraw/zinc/10/28/87/554102887.db2.gz	QXIDKJFLLFZGEE-UHFFFAOYSA-N	1	1	361.421	2.437	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC(C)(C)OC1(C)C	ZINC000330325584	554105547	/nfs/dbraw/zinc/10/55/47/554105547.db2.gz	URZHWAMHLRKCJJ-HOCLYGCPSA-N	1	1	353.507	2.432	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N(C2CC2)[C@@H]1c1ccnn1C	ZINC000330355714	554111014	/nfs/dbraw/zinc/11/10/14/554111014.db2.gz	QVIKRNABZUHVGR-MDZRGWNJSA-N	1	1	373.501	2.303	20	30		FEEDMO
CCc1ccc(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1F	ZINC000330403911	554117334	/nfs/dbraw/zinc/11/73/34/554117334.db2.gz	MCQSEVPVPGPUSW-UHFFFAOYSA-N	1	1	350.438	2.030	20	30		FEEDMO
CO[C@@H](C)c1nc(C)c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)s1	ZINC000330419080	554119401	/nfs/dbraw/zinc/11/94/01/554119401.db2.gz	PEUSWWGSVFNBKA-ZDUSSCGKSA-N	1	1	354.520	2.490	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cccc(C(=O)NC)c2C)CC[N@H+]1C[C@@H](C)O	ZINC000330664521	554153230	/nfs/dbraw/zinc/15/32/30/554153230.db2.gz	YQGMAUOQMFSARB-UKRRQHHQSA-N	1	1	362.474	2.252	20	30		FEEDMO
O=C(CC[N@H+]1CCO[C@H](C2CCCCC2)C1)NC(=O)NCC(F)(F)F	ZINC000330899398	554184932	/nfs/dbraw/zinc/18/49/32/554184932.db2.gz	VTZJAVJTZXYXTN-ZDUSSCGKSA-N	1	1	365.396	2.250	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O	ZINC000330986590	554197447	/nfs/dbraw/zinc/19/74/47/554197447.db2.gz	RAWWBYWYOQILEV-FZMZJTMJSA-N	1	1	354.382	2.056	20	30		FEEDMO
CC(C)[C@@H](C)NC(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1	ZINC000330987272	554197960	/nfs/dbraw/zinc/19/79/60/554197960.db2.gz	QFXQWOWKMJXHNL-ILXRZTDVSA-N	1	1	366.485	2.350	20	30		FEEDMO
C=CCn1c(-c2cccn2C)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000508460822	561762677	/nfs/dbraw/zinc/76/26/77/561762677.db2.gz	FTRAVRZIYBJKFR-IYBDPMFKSA-N	1	1	358.490	2.015	20	30		FEEDMO
C=CCn1c(-c2cccn2C)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000508460822	561762679	/nfs/dbraw/zinc/76/26/79/561762679.db2.gz	FTRAVRZIYBJKFR-IYBDPMFKSA-N	1	1	358.490	2.015	20	30		FEEDMO
Cc1c(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cccc1[N+](=O)[O-]	ZINC000331085125	554210285	/nfs/dbraw/zinc/21/02/85/554210285.db2.gz	CHHXVUQVHMUHAN-CYBMUJFWSA-N	1	1	364.446	2.094	20	30		FEEDMO
CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(NC(C)=O)cc2Cl)CC1	ZINC000331121421	554216518	/nfs/dbraw/zinc/21/65/18/554216518.db2.gz	GIOAMYFCDYTWMM-AWEZNQCLSA-N	1	1	368.865	2.232	20	30		FEEDMO
CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C)CC[N@H+]1CCOC	ZINC000508592681	561766976	/nfs/dbraw/zinc/76/69/76/561766976.db2.gz	OIBOEZJYWDBQKA-GOSISDBHSA-N	1	1	368.485	2.291	20	30		FEEDMO
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1	ZINC000331235517	554234843	/nfs/dbraw/zinc/23/48/43/554234843.db2.gz	LTJYNJYXYSHSLX-IKGGRYGDSA-N	1	1	355.523	2.271	20	30		FEEDMO
Cc1ccc(NC(=O)N(C)C)cc1NC(=O)C[N@H+](C)[C@@H]1CCSC1	ZINC000331245155	554235971	/nfs/dbraw/zinc/23/59/71/554235971.db2.gz	RFFRSYPQMOWOFM-CQSZACIVSA-N	1	1	350.488	2.478	20	30		FEEDMO
Cc1ccc(NC(=O)N(C)C)cc1NC(=O)C[N@@H+](C)[C@@H]1CCSC1	ZINC000331245155	554235973	/nfs/dbraw/zinc/23/59/73/554235973.db2.gz	RFFRSYPQMOWOFM-CQSZACIVSA-N	1	1	350.488	2.478	20	30		FEEDMO
CC1(C)CCC[N@@H+](CCNS(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000331292666	554242409	/nfs/dbraw/zinc/24/24/09/554242409.db2.gz	QCQFOZQUXVLFRK-UHFFFAOYSA-N	1	1	353.463	2.239	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(C#N)cc1OC(F)F	ZINC000331306755	554244503	/nfs/dbraw/zinc/24/45/03/554244503.db2.gz	VYHZYIRDMVHNBM-CYBMUJFWSA-N	1	1	353.413	2.437	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2cn(C)nc2C(F)(F)F)C1	ZINC000331320111	554246591	/nfs/dbraw/zinc/24/65/91/554246591.db2.gz	IYHPCQPHZXKVFV-LLVKDONJSA-N	1	1	363.384	2.122	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000509011805	561781357	/nfs/dbraw/zinc/78/13/57/561781357.db2.gz	CJDLKHOSEFVAFF-KRWDZBQOSA-N	1	1	356.470	2.417	20	30		FEEDMO
C=CCn1c(COCC)nnc1N1CC[NH+](Cc2ccccc2OC)CC1	ZINC000508906558	561777735	/nfs/dbraw/zinc/77/77/35/561777735.db2.gz	GQLLWNMOGSXYRG-UHFFFAOYSA-N	1	1	371.485	2.331	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](O)C2)c1C#N	ZINC000509129183	561785951	/nfs/dbraw/zinc/78/59/51/561785951.db2.gz	UWWOLHUZLBPDFK-SCLBCKFNSA-N	1	1	370.453	2.259	20	30		FEEDMO
COC[C@H]1CCN(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000509411540	561798405	/nfs/dbraw/zinc/79/84/05/561798405.db2.gz	URVUPXLKZYPMCX-IBGZPJMESA-N	1	1	356.470	2.154	20	30		FEEDMO
COC[C@H]1CCN(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000509411540	561798407	/nfs/dbraw/zinc/79/84/07/561798407.db2.gz	URVUPXLKZYPMCX-IBGZPJMESA-N	1	1	356.470	2.154	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Cc2c(F)cccc2C#N)CC1	ZINC000509502401	561802685	/nfs/dbraw/zinc/80/26/85/561802685.db2.gz	XMRKQPUUENMEHV-CALCHBBNSA-N	1	1	372.488	2.257	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000509657100	561809426	/nfs/dbraw/zinc/80/94/26/561809426.db2.gz	IJFSCRHJDIJESI-DLBZAZTESA-N	1	1	356.470	2.264	20	30		FEEDMO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1	ZINC000332685083	554496682	/nfs/dbraw/zinc/49/66/82/554496682.db2.gz	MBUCAUILFUMMTN-HKUYNNGSSA-N	1	1	371.460	2.156	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)[nH]1	ZINC000610634592	554542266	/nfs/dbraw/zinc/54/22/66/554542266.db2.gz	PSLSTXOSYFNQTI-UHFFFAOYSA-N	1	1	352.442	2.420	20	30		FEEDMO
C[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000611519445	554641122	/nfs/dbraw/zinc/64/11/22/554641122.db2.gz	LFXOTJBBDNJPER-HOCLYGCPSA-N	1	1	352.442	2.324	20	30		FEEDMO
C[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000611519445	554641124	/nfs/dbraw/zinc/64/11/24/554641124.db2.gz	LFXOTJBBDNJPER-HOCLYGCPSA-N	1	1	352.442	2.324	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1=O	ZINC000348559633	554688604	/nfs/dbraw/zinc/68/86/04/554688604.db2.gz	CCOGFDZHOWYPJT-QRQLOZEOSA-N	1	1	371.481	2.410	20	30		FEEDMO
C[C@@](C#N)(NC(=O)CN1CCC[N@H+](Cc2ccccc2F)CC1)C1CC1	ZINC000360157309	554865295	/nfs/dbraw/zinc/86/52/95/554865295.db2.gz	HPPGYJDAZSAUSK-FQEVSTJZSA-N	1	1	358.461	2.142	20	30		FEEDMO
C[C@@](C#N)(NC(=O)CN1CCC[N@@H+](Cc2ccccc2F)CC1)C1CC1	ZINC000360157309	554865296	/nfs/dbraw/zinc/86/52/96/554865296.db2.gz	HPPGYJDAZSAUSK-FQEVSTJZSA-N	1	1	358.461	2.142	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2F)CC1	ZINC000361637419	554927497	/nfs/dbraw/zinc/92/74/97/554927497.db2.gz	UYWXTRCCFUEHQZ-GOSISDBHSA-N	1	1	358.392	2.477	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1	ZINC000511630232	561875410	/nfs/dbraw/zinc/87/54/10/561875410.db2.gz	RZAMGLQIGXBBMQ-ZFWWWQNUSA-N	1	1	355.360	2.380	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1	ZINC000363045839	555017503	/nfs/dbraw/zinc/01/75/03/555017503.db2.gz	PBSIZYIELFRIOV-IAGOWNOFSA-N	1	1	362.518	2.155	20	30		FEEDMO
CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C#N)c1C	ZINC000363977146	555225739	/nfs/dbraw/zinc/22/57/39/555225739.db2.gz	UQZSMLNOWYQCJY-MRXNPFEDSA-N	1	1	365.437	2.255	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC#Cc1cccc(F)c1	ZINC000512185305	561895374	/nfs/dbraw/zinc/89/53/74/561895374.db2.gz	OMRYIROXOLPIJK-INIZCTEOSA-N	1	1	359.445	2.072	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O)C1(C#N)CCCCC1	ZINC000364432958	555312988	/nfs/dbraw/zinc/31/29/88/555312988.db2.gz	DSLJIFCLKCPMPH-OAQYLSRUSA-N	1	1	366.465	2.267	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)Cc2cccc(C#N)c2)cn1	ZINC000364604585	555350913	/nfs/dbraw/zinc/35/09/13/555350913.db2.gz	FDZYBSHJLXFCIJ-UHFFFAOYSA-N	1	1	367.434	2.067	20	30		FEEDMO
Cc1nc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)ccc1C#N	ZINC000364663363	555366467	/nfs/dbraw/zinc/36/64/67/555366467.db2.gz	NDPFZTVHMJUFNR-QFBILLFUSA-N	1	1	366.469	2.150	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)CC1	ZINC000364755107	555394403	/nfs/dbraw/zinc/39/44/03/555394403.db2.gz	AMEZUHKOAMDIKZ-QGZVFWFLSA-N	1	1	354.458	2.234	20	30		FEEDMO
CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1	ZINC000364983865	555456925	/nfs/dbraw/zinc/45/69/25/555456925.db2.gz	NRMFAFJCPWUUQR-YJXRAILPSA-N	1	1	353.466	2.079	20	30		FEEDMO
CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1	ZINC000364983865	555456930	/nfs/dbraw/zinc/45/69/30/555456930.db2.gz	NRMFAFJCPWUUQR-YJXRAILPSA-N	1	1	353.466	2.079	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000365222028	555515214	/nfs/dbraw/zinc/51/52/14/555515214.db2.gz	JQICTYHTJAYSKC-HZPDHXFCSA-N	1	1	364.490	2.080	20	30		FEEDMO
C[NH+]1CCN([C@@H](C(=O)NCC#Cc2cccc(F)c2)c2ccccc2)CC1	ZINC000513191215	561928569	/nfs/dbraw/zinc/92/85/69/561928569.db2.gz	GZIWGDQHZRCBNZ-OAQYLSRUSA-N	1	1	365.452	2.282	20	30		FEEDMO
COc1ccc(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc1	ZINC000366048874	555736779	/nfs/dbraw/zinc/73/67/79/555736779.db2.gz	KFVBEMOEXYYJLP-UHFFFAOYSA-N	1	1	364.449	2.239	20	30		FEEDMO
N#Cc1cc(Br)ccc1CN1CC[NH+]([C@H]2CCOC2)CC1	ZINC000367756094	556131086	/nfs/dbraw/zinc/13/10/86/556131086.db2.gz	RRJPPEYQBFMQCA-INIZCTEOSA-N	1	1	350.260	2.227	20	30		FEEDMO
C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C	ZINC000514894126	561985267	/nfs/dbraw/zinc/98/52/67/561985267.db2.gz	UWFYWJVLWRIOLT-GJZGRUSLSA-N	1	1	362.522	2.301	20	30		FEEDMO
N#Cc1c(NC(=O)C[N@H+]2CC[C@H](CC(N)=O)C2)sc2c1CCCCC2	ZINC000367993496	556190846	/nfs/dbraw/zinc/19/08/46/556190846.db2.gz	LUEMNNGAZOKSFN-GFCCVEGCSA-N	1	1	360.483	2.024	20	30		FEEDMO
N#Cc1c(NC(=O)C[N@@H+]2CC[C@H](CC(N)=O)C2)sc2c1CCCCC2	ZINC000367993496	556190849	/nfs/dbraw/zinc/19/08/49/556190849.db2.gz	LUEMNNGAZOKSFN-GFCCVEGCSA-N	1	1	360.483	2.024	20	30		FEEDMO
Cc1ccc2ncc(C#N)c(N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)c2c1	ZINC000368147767	556230557	/nfs/dbraw/zinc/23/05/57/556230557.db2.gz	IJYQSDDPTAAOKL-LJQANCHMSA-N	1	1	363.465	2.333	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1	ZINC000368573022	556350122	/nfs/dbraw/zinc/35/01/22/556350122.db2.gz	QCEFJUFVWHBRFF-QZTJIDSGSA-N	1	1	366.396	2.197	20	30		FEEDMO
C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(F)cc1	ZINC000368573022	556350125	/nfs/dbraw/zinc/35/01/25/556350125.db2.gz	QCEFJUFVWHBRFF-QZTJIDSGSA-N	1	1	366.396	2.197	20	30		FEEDMO
Cc1noc(C)c1CO[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000368853073	556429824	/nfs/dbraw/zinc/42/98/24/556429824.db2.gz	ICDKJLXGAUAJGA-IEBWSBKVSA-N	1	1	371.437	2.194	20	30		FEEDMO
COCCC[N@H+]1CCCN(C(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000368858743	556431281	/nfs/dbraw/zinc/43/12/81/556431281.db2.gz	IPHVDKCBQYSIGW-UHFFFAOYSA-N	1	1	361.511	2.362	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCCCNC1=O	ZINC000368891369	556440352	/nfs/dbraw/zinc/44/03/52/556440352.db2.gz	DBQGATORWVBOAG-HNNXBMFYSA-N	1	1	374.510	2.428	20	30		FEEDMO
C[NH+](C)[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1	ZINC000368923373	556449368	/nfs/dbraw/zinc/44/93/68/556449368.db2.gz	RHDNSOGQQDNEEU-FQEVSTJZSA-N	1	1	363.465	2.341	20	30		FEEDMO
Cc1cc(C[NH+]2CCC(N(C)C(=O)COc3ccc(C#N)cc3)CC2)on1	ZINC000368968247	556462464	/nfs/dbraw/zinc/46/24/64/556462464.db2.gz	HUUWQMYRSUZMMM-UHFFFAOYSA-N	1	1	368.437	2.357	20	30		FEEDMO
N#Cc1ccc2ncc(C[NH2+]Cc3ccncc3OC[C@H]3CCOC3)n2c1	ZINC000515701281	562019829	/nfs/dbraw/zinc/01/98/29/562019829.db2.gz	LFYPRLQUOMAGGP-INIZCTEOSA-N	1	1	363.421	2.306	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000369372559	556583561	/nfs/dbraw/zinc/58/35/61/556583561.db2.gz	JZVRRBUBYUNKDW-GOSISDBHSA-N	1	1	372.513	2.219	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000369372559	556583564	/nfs/dbraw/zinc/58/35/64/556583564.db2.gz	JZVRRBUBYUNKDW-GOSISDBHSA-N	1	1	372.513	2.219	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@@H]2CCCN(c3cc(C)ccc3F)C2=O)CC1	ZINC000369444638	556601928	/nfs/dbraw/zinc/60/19/28/556601928.db2.gz	DPCNVMFDBPWZSU-GOSISDBHSA-N	1	1	371.456	2.091	20	30		FEEDMO
C=C(C)Cn1c(-c2ccccn2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000516196914	562035423	/nfs/dbraw/zinc/03/54/23/562035423.db2.gz	NVDJSRKTOWJIEO-CALCHBBNSA-N	1	1	370.501	2.462	20	30		FEEDMO
C=C(C)Cn1c(-c2ccccn2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000516196914	562035425	/nfs/dbraw/zinc/03/54/25/562035425.db2.gz	NVDJSRKTOWJIEO-CALCHBBNSA-N	1	1	370.501	2.462	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCc2sc(C)nc21	ZINC000369556390	556630046	/nfs/dbraw/zinc/63/00/46/556630046.db2.gz	LTZWGUOGMFQYNH-AAEUAGOBSA-N	1	1	350.488	2.204	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c(C#N)c1C	ZINC000370014456	556758144	/nfs/dbraw/zinc/75/81/44/556758144.db2.gz	YYRFBJYKMXYALW-ZFWWWQNUSA-N	1	1	355.442	2.393	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c(C#N)c1C	ZINC000370014456	556758142	/nfs/dbraw/zinc/75/81/42/556758142.db2.gz	YYRFBJYKMXYALW-ZFWWWQNUSA-N	1	1	355.442	2.393	20	30		FEEDMO
N#Cc1cccc(OCCC[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)c1	ZINC000370564924	556910120	/nfs/dbraw/zinc/91/01/20/556910120.db2.gz	DKFVKSHDJPHNSQ-LJQANCHMSA-N	1	1	357.454	2.040	20	30		FEEDMO
CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NC3(C#N)CCCCC3)C[C@H]21	ZINC000370796845	556971727	/nfs/dbraw/zinc/97/17/27/556971727.db2.gz	WVIPRWHQBJUJMJ-DLBZAZTESA-N	1	1	374.529	2.298	20	30		FEEDMO
CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NC3(C#N)CCCCC3)C[C@H]21	ZINC000370796845	556971730	/nfs/dbraw/zinc/97/17/30/556971730.db2.gz	WVIPRWHQBJUJMJ-DLBZAZTESA-N	1	1	374.529	2.298	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C3(C#N)CCOCC3)[C@H](C)C2)s1	ZINC000370960504	557028506	/nfs/dbraw/zinc/02/85/06/557028506.db2.gz	GTFSFGGPMVTZAS-CJNGLKHVSA-N	1	1	362.499	2.099	20	30		FEEDMO
Cn1cc([C@H]2[C@H](CNC(=O)c3c(F)cc(C#N)cc3F)CCC[N@H+]2C)cn1	ZINC000371897222	557323565	/nfs/dbraw/zinc/32/35/65/557323565.db2.gz	KMXHRTLKDPSYLC-SCLBCKFNSA-N	1	1	373.407	2.383	20	30		FEEDMO
Cc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)nn1-c1cccc(C#N)c1	ZINC000372378219	557454966	/nfs/dbraw/zinc/45/49/66/557454966.db2.gz	PVRSQTRDHLEUSL-YOEHRIQHSA-N	1	1	366.469	2.999	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCCN(c3ncccc3F)CC2)cc1	ZINC000372609675	557519957	/nfs/dbraw/zinc/51/99/57/557519957.db2.gz	AHQPOSYQUZKVJP-KRWDZBQOSA-N	1	1	370.428	2.044	20	30		FEEDMO
CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1	ZINC000372612071	557521151	/nfs/dbraw/zinc/52/11/51/557521151.db2.gz	JUEUFWGSHBRLLW-MRXNPFEDSA-N	1	1	367.453	2.242	20	30		FEEDMO
Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)c2cccnc2C#N)CC1	ZINC000373035143	557614195	/nfs/dbraw/zinc/61/41/95/557614195.db2.gz	LDAXUHRMJPARTB-UHFFFAOYSA-N	1	1	370.478	2.158	20	30		FEEDMO
Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)c2cccnc2C#N)CC1	ZINC000373035143	557614197	/nfs/dbraw/zinc/61/41/97/557614197.db2.gz	LDAXUHRMJPARTB-UHFFFAOYSA-N	1	1	370.478	2.158	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3CCC[N@H+](C(C)(C)C)CC3)cc2C1=O	ZINC000520150394	562149681	/nfs/dbraw/zinc/14/96/81/562149681.db2.gz	PMECAKOWMDGXGU-UHFFFAOYSA-N	1	1	369.465	2.415	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000373271700	557662753	/nfs/dbraw/zinc/66/27/53/557662753.db2.gz	QYKPKTSPPVFBJM-WOJBJXKFSA-N	1	1	363.546	2.375	20	30		FEEDMO
Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000373401310	557687334	/nfs/dbraw/zinc/68/73/34/557687334.db2.gz	WWPBLZVFFYDHHU-HNNXBMFYSA-N	1	1	352.442	2.431	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)NCCCCN1CC[NH+](C)CC1	ZINC000520472640	562157276	/nfs/dbraw/zinc/15/72/76/562157276.db2.gz	PMHXISSBBQHXKT-UHFFFAOYSA-N	1	1	350.532	2.473	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000373863568	557775878	/nfs/dbraw/zinc/77/58/78/557775878.db2.gz	SDOFAYFROAOASR-FQEVSTJZSA-N	1	1	353.422	2.169	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000373965096	557797907	/nfs/dbraw/zinc/79/79/07/557797907.db2.gz	MNYXBGYLVYYTJH-RTBURBONSA-N	1	1	354.454	2.362	20	30		FEEDMO
Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1C#N	ZINC000374134865	557829680	/nfs/dbraw/zinc/82/96/80/557829680.db2.gz	ATAWHGQWLQIVEH-APWZRJJASA-N	1	1	351.454	2.413	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)c1	ZINC000374556510	557899411	/nfs/dbraw/zinc/89/94/11/557899411.db2.gz	MRMAKLCOASLPBE-JOCHJYFZSA-N	1	1	363.461	2.201	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)c1	ZINC000374556510	557899412	/nfs/dbraw/zinc/89/94/12/557899412.db2.gz	MRMAKLCOASLPBE-JOCHJYFZSA-N	1	1	363.461	2.201	20	30		FEEDMO
CN(C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1	ZINC000374588274	557903156	/nfs/dbraw/zinc/90/31/56/557903156.db2.gz	VPLKNAPYQCPZSJ-UHFFFAOYSA-N	1	1	356.470	2.297	20	30		FEEDMO
CN(C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CCOCC1	ZINC000374588274	557903158	/nfs/dbraw/zinc/90/31/58/557903158.db2.gz	VPLKNAPYQCPZSJ-UHFFFAOYSA-N	1	1	356.470	2.297	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000521217020	562172023	/nfs/dbraw/zinc/17/20/23/562172023.db2.gz	HSSISJFZLHAEPW-QXAKKESOSA-N	1	1	373.497	2.315	20	30		FEEDMO
C=CCn1cc(CNC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)nn1	ZINC000521229353	562172299	/nfs/dbraw/zinc/17/22/99/562172299.db2.gz	JIXAZJZAXLUDFQ-IAGOWNOFSA-N	1	1	368.485	2.269	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1	ZINC000375011531	557963823	/nfs/dbraw/zinc/96/38/23/557963823.db2.gz	GRXNBRXNEAPFFZ-MSOLQXFVSA-N	1	1	362.495	2.471	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1	ZINC000375011531	557963824	/nfs/dbraw/zinc/96/38/24/557963824.db2.gz	GRXNBRXNEAPFFZ-MSOLQXFVSA-N	1	1	362.495	2.471	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCNC(=O)[C@H]1CC(C)C	ZINC000521279086	562173447	/nfs/dbraw/zinc/17/34/47/562173447.db2.gz	YQXYARROKKGEGD-RTBURBONSA-N	1	1	360.498	2.391	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)NCc1c[nH+]c2n1CCCC2	ZINC000375427575	558025027	/nfs/dbraw/zinc/02/50/27/558025027.db2.gz	RTBPHFJVDKMKSH-UHFFFAOYSA-N	1	1	369.425	2.438	20	30		FEEDMO
N#Cc1c(C#N)c(N2CC[N@@H+]3CCOC[C@H]3C2)nc2c1CCCCCC2	ZINC000375654420	558062847	/nfs/dbraw/zinc/06/28/47/558062847.db2.gz	ITMSNOPGTQNCAV-OAHLLOKOSA-N	1	1	351.454	2.005	20	30		FEEDMO
N#Cc1c(C#N)c(N2CC[N@H+]3CCOC[C@H]3C2)nc2c1CCCCCC2	ZINC000375654420	558062849	/nfs/dbraw/zinc/06/28/49/558062849.db2.gz	ITMSNOPGTQNCAV-OAHLLOKOSA-N	1	1	351.454	2.005	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1	ZINC000375761228	558078782	/nfs/dbraw/zinc/07/87/82/558078782.db2.gz	HEHXAXSQJIWKNI-ROUUACIJSA-N	1	1	373.453	2.436	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1	ZINC000375761228	558078783	/nfs/dbraw/zinc/07/87/83/558078783.db2.gz	HEHXAXSQJIWKNI-ROUUACIJSA-N	1	1	373.453	2.436	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000375965102	558106122	/nfs/dbraw/zinc/10/61/22/558106122.db2.gz	WMINRMCXUVHLJC-YWZLYKJASA-N	1	1	359.445	2.450	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000375965102	558106124	/nfs/dbraw/zinc/10/61/24/558106124.db2.gz	WMINRMCXUVHLJC-YWZLYKJASA-N	1	1	359.445	2.450	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)C2([NH+]3CCN(C)CC3)CCCC2)cc1	ZINC000376012333	558113676	/nfs/dbraw/zinc/11/36/76/558113676.db2.gz	FIRXWHOSOMOCEK-UHFFFAOYSA-N	1	1	357.498	2.428	20	30		FEEDMO
N#Cc1ncn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1	ZINC000376122235	558129736	/nfs/dbraw/zinc/12/97/36/558129736.db2.gz	GHWOMCYEVHSMCF-SLFFLAALSA-N	1	1	364.497	2.430	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)C1([NH+]2CCN(C)CC2)CCCC1	ZINC000376204540	558140833	/nfs/dbraw/zinc/14/08/33/558140833.db2.gz	CRVYLJYIHBNZFA-HXUWFJFHSA-N	1	1	353.510	2.297	20	30		FEEDMO
COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)cc1C#N	ZINC000376252342	558148123	/nfs/dbraw/zinc/14/81/23/558148123.db2.gz	HNUQUOUDSIGBMP-OAHLLOKOSA-N	1	1	367.453	2.371	20	30		FEEDMO
N#Cc1ccc(C[C@@H](C#N)C(=O)NCC2([NH+]3CCOCC3)CCCC2)cc1	ZINC000376299023	558154297	/nfs/dbraw/zinc/15/42/97/558154297.db2.gz	ADRRRWJOXKVDKR-IBGZPJMESA-N	1	1	366.465	2.002	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000376333221	558159212	/nfs/dbraw/zinc/15/92/12/558159212.db2.gz	MZJBKIQINLHFMW-DLBZAZTESA-N	1	1	357.454	2.152	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000376333228	558159246	/nfs/dbraw/zinc/15/92/46/558159246.db2.gz	MZJBKIQINLHFMW-SJORKVTESA-N	1	1	357.454	2.152	20	30		FEEDMO
COCC[N@H+](CCc1ccccc1)CC(=O)NCc1ccc(C#N)cc1	ZINC000521859892	562184983	/nfs/dbraw/zinc/18/49/83/562184983.db2.gz	XWJNXBWLKRTOGR-UHFFFAOYSA-N	1	1	351.450	2.366	20	30		FEEDMO
COCC[N@@H+](CCc1ccccc1)CC(=O)NCc1ccc(C#N)cc1	ZINC000521859892	562184984	/nfs/dbraw/zinc/18/49/84/562184984.db2.gz	XWJNXBWLKRTOGR-UHFFFAOYSA-N	1	1	351.450	2.366	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000377239772	558296178	/nfs/dbraw/zinc/29/61/78/558296178.db2.gz	RJXOZAWZLVHPFM-NHCUHLMSSA-N	1	1	368.525	2.042	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](CC(N)=O)C2)c1	ZINC000377490133	558350042	/nfs/dbraw/zinc/35/00/42/558350042.db2.gz	KQOOTEAOBSILOR-DLBZAZTESA-N	1	1	356.470	2.136	20	30		FEEDMO
C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1	ZINC000377758141	558413342	/nfs/dbraw/zinc/41/33/42/558413342.db2.gz	BIJKNKFDYRSMCU-PBHICJAKSA-N	1	1	368.462	2.367	20	30		FEEDMO
N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21	ZINC000377844180	558433969	/nfs/dbraw/zinc/43/39/69/558433969.db2.gz	KIWVYJWUUCBWPH-BPUTZDHNSA-N	1	1	365.886	2.316	20	30		FEEDMO
C#Cc1ccccc1CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000377939122	558449226	/nfs/dbraw/zinc/44/92/26/558449226.db2.gz	JFAINZVBHOHYAC-WIYYLYMNSA-N	1	1	350.466	2.143	20	30		FEEDMO
Cn1c(Cl)cnc1CN1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000378136919	558488641	/nfs/dbraw/zinc/48/86/41/558488641.db2.gz	CQGVRCOPANAIRQ-KRWDZBQOSA-N	1	1	373.888	2.186	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1	ZINC000378207438	558502722	/nfs/dbraw/zinc/50/27/22/558502722.db2.gz	RHTWYOIJWARQSF-AWEZNQCLSA-N	1	1	354.454	2.281	20	30		FEEDMO
Cc1cc(=NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)[nH]n1CCC#N	ZINC000378510896	558572706	/nfs/dbraw/zinc/57/27/06/558572706.db2.gz	JGKXZUVUESXTTG-GOSISDBHSA-N	1	1	366.469	2.843	20	30		FEEDMO
C[C@@]1(CNS(=O)(=O)c2cccnc2C#N)CCC[N@H+]1Cc1ccccc1	ZINC000398114420	558626366	/nfs/dbraw/zinc/62/63/66/558626366.db2.gz	TYOWRQPIMNOTTM-IBGZPJMESA-N	1	1	370.478	2.286	20	30		FEEDMO
N#Cc1ccc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)nc1	ZINC000404208940	558631508	/nfs/dbraw/zinc/63/15/08/558631508.db2.gz	VPDLAJRAQJWTBN-WOJBJXKFSA-N	1	1	362.433	2.069	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1	ZINC000408288363	558664379	/nfs/dbraw/zinc/66/43/79/558664379.db2.gz	XKIJDSMFHFQQST-RYQLBKOJSA-N	1	1	355.486	2.077	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@H]1C	ZINC000408332648	558667309	/nfs/dbraw/zinc/66/73/09/558667309.db2.gz	YCZVEBPKQIWDAK-HZPDHXFCSA-N	1	1	367.497	2.375	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)n1cnc(C#N)n1	ZINC000409459518	558694285	/nfs/dbraw/zinc/69/42/85/558694285.db2.gz	RTGPQPBHQNQWHR-HOTGVXAUSA-N	1	1	366.469	2.402	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000410140034	558741379	/nfs/dbraw/zinc/74/13/79/558741379.db2.gz	OYFOOIPUUYCGED-DLBZAZTESA-N	1	1	356.536	2.053	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C	ZINC000410161455	558743277	/nfs/dbraw/zinc/74/32/77/558743277.db2.gz	KTNLXNGIHPVYSQ-PWSUYJOCSA-N	1	1	361.389	2.338	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)C1=O	ZINC000410394521	558755197	/nfs/dbraw/zinc/75/51/97/558755197.db2.gz	YZJQMGBRSQWZRL-GDBMZVCRSA-N	1	1	372.387	2.164	20	30		FEEDMO
CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2	ZINC000525274893	562244855	/nfs/dbraw/zinc/24/48/55/562244855.db2.gz	QLSHFZTTYGZYRI-IAGOWNOFSA-N	1	1	368.437	2.360	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)[C@H](C(N)=O)c1ccc(Br)cc1	ZINC000411635117	558932861	/nfs/dbraw/zinc/93/28/61/558932861.db2.gz	AWXLFEKSZWVDCZ-HNNXBMFYSA-N	1	1	354.292	2.415	20	30		FEEDMO
CC(C)[N@@H+](C[C@@H]1CCC(=O)N1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000412065100	559008649	/nfs/dbraw/zinc/00/86/49/559008649.db2.gz	CVEYLOYKGLADMU-WMZOPIPTSA-N	1	1	354.454	2.043	20	30		FEEDMO
COc1cc(OCC[NH+](C)C)ccc1NC(=O)c1ccc(C#N)c(O)c1	ZINC000412582509	559044770	/nfs/dbraw/zinc/04/47/70/559044770.db2.gz	VIHYEJNWGFYEOZ-UHFFFAOYSA-N	1	1	355.394	2.465	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)[nH]c1C	ZINC000412650980	559048524	/nfs/dbraw/zinc/04/85/24/559048524.db2.gz	CDMYXFCILSASNI-YLJYHZDGSA-N	1	1	366.465	2.462	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@H](O)[C@@H](CO)C2)c1	ZINC000414551517	559171201	/nfs/dbraw/zinc/17/12/01/559171201.db2.gz	BNIMPCQPZNETME-CTNGQTDRSA-N	1	1	352.434	2.312	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1	ZINC000528547796	562335463	/nfs/dbraw/zinc/33/54/63/562335463.db2.gz	IWUGTPFQQAQTII-MRXNPFEDSA-N	1	1	351.447	2.134	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)NC2CCC([NH+]3CCNCC3)CC2)cc1	ZINC000418167136	559392654	/nfs/dbraw/zinc/39/26/54/559392654.db2.gz	LWQVTGXMXHZOQK-UHFFFAOYSA-N	1	1	372.513	2.267	20	30		FEEDMO
Cc1ncccc1OC[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000419400548	559440777	/nfs/dbraw/zinc/44/07/77/559440777.db2.gz	MOXYGHRKUQBSFI-LJQANCHMSA-N	1	1	364.449	2.421	20	30		FEEDMO
Cc1ncccc1OC[C@H]1CCC[N@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000419400548	559440778	/nfs/dbraw/zinc/44/07/78/559440778.db2.gz	MOXYGHRKUQBSFI-LJQANCHMSA-N	1	1	364.449	2.421	20	30		FEEDMO
C=CCC[C@@H]1NC(=O)N(Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)C1=O	ZINC000419924049	559464724	/nfs/dbraw/zinc/46/47/24/559464724.db2.gz	MNALXYZWCGVDBZ-IBGZPJMESA-N	1	1	370.497	2.211	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000420739207	559501548	/nfs/dbraw/zinc/50/15/48/559501548.db2.gz	PGWKAVNMWQVVRA-GFCCVEGCSA-N	1	1	361.389	2.292	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000420771128	559503496	/nfs/dbraw/zinc/50/34/96/559503496.db2.gz	RGFIQYDIEGJTEI-LBPRGKRZSA-N	1	1	361.389	2.292	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000420984626	559517570	/nfs/dbraw/zinc/51/75/70/559517570.db2.gz	UAFVGDOUVHAFQJ-IBGZPJMESA-N	1	1	362.562	2.068	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000422071207	559563725	/nfs/dbraw/zinc/56/37/25/559563725.db2.gz	MGVISYPJBIYUDN-CEXWTWQISA-N	1	1	355.482	2.033	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)NCC(C)(C)CC#N)cc1	ZINC000422404132	559585551	/nfs/dbraw/zinc/58/55/51/559585551.db2.gz	WBINLMARSOJQPI-CQSZACIVSA-N	1	1	367.453	2.414	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000422536670	559593468	/nfs/dbraw/zinc/59/34/68/559593468.db2.gz	DDSLCNHCZPBYKK-QRQLOZEOSA-N	1	1	357.498	2.231	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(NC(=O)C2CCCCC2)CC1	ZINC000527298032	562284319	/nfs/dbraw/zinc/28/43/19/562284319.db2.gz	LVPJVENLSPRZLM-HNNXBMFYSA-N	1	1	360.502	2.098	20	30		FEEDMO
C=CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](CCOCC)CC1	ZINC000424131180	559655672	/nfs/dbraw/zinc/65/56/72/559655672.db2.gz	WBBIOCUFQRMBBG-OAHLLOKOSA-N	1	1	351.520	2.191	20	30		FEEDMO
C=CCC1(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CCOCC1	ZINC000424679549	559673484	/nfs/dbraw/zinc/67/34/84/559673484.db2.gz	BAAXFKLGANDAAR-UHFFFAOYSA-N	1	1	363.546	2.426	20	30		FEEDMO
C=CCC1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CCOCC1	ZINC000424723019	559674782	/nfs/dbraw/zinc/67/47/82/559674782.db2.gz	OMLJFSOCIPJPSV-GOSISDBHSA-N	1	1	371.481	2.448	20	30		FEEDMO
C=CCC1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CCOCC1	ZINC000424723019	559674783	/nfs/dbraw/zinc/67/47/83/559674783.db2.gz	OMLJFSOCIPJPSV-GOSISDBHSA-N	1	1	371.481	2.448	20	30		FEEDMO
N#Cc1cccc([N+](=O)[O-])c1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000425203350	559691120	/nfs/dbraw/zinc/69/11/20/559691120.db2.gz	FEOMEMVVFSQOIJ-QGZVFWFLSA-N	1	1	352.394	2.298	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)nn1	ZINC000425423106	559701290	/nfs/dbraw/zinc/70/12/90/559701290.db2.gz	YQWVGSUNJCUKOP-WBVHZDCISA-N	1	1	354.458	2.099	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000425484505	559704971	/nfs/dbraw/zinc/70/49/71/559704971.db2.gz	JBZVUMRKCPMYBS-AEFFLSMTSA-N	1	1	368.485	2.174	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](n3ccnn3)C2)c(OC)c1	ZINC000425497089	559705580	/nfs/dbraw/zinc/70/55/80/559705580.db2.gz	BYFLOAASGLAQAZ-QZTJIDSGSA-N	1	1	372.469	2.092	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)NC(=O)NCC(F)(F)F	ZINC000425531801	559708081	/nfs/dbraw/zinc/70/80/81/559708081.db2.gz	ICAGNULGSGCRHP-NSHDSACASA-N	1	1	356.348	2.329	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C	ZINC000425910557	559725005	/nfs/dbraw/zinc/72/50/05/559725005.db2.gz	WNSIXIJMVVPWFB-QAPCUYQASA-N	1	1	370.497	2.314	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[N@@H+]1CCO	ZINC000428523727	559777185	/nfs/dbraw/zinc/77/71/85/559777185.db2.gz	ROWNVZYTGZPFFL-MRXNPFEDSA-N	1	1	364.449	2.440	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[N@H+]1CCO	ZINC000428523727	559777186	/nfs/dbraw/zinc/77/71/86/559777186.db2.gz	ROWNVZYTGZPFFL-MRXNPFEDSA-N	1	1	364.449	2.440	20	30		FEEDMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)s1	ZINC000428688717	559781179	/nfs/dbraw/zinc/78/11/79/559781179.db2.gz	AKKWOGVHDHXXAG-IBGZPJMESA-N	1	1	355.463	2.329	20	30		FEEDMO
Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000428781555	559783075	/nfs/dbraw/zinc/78/30/75/559783075.db2.gz	GZUKCNBMLYFUSG-OALUTQOASA-N	1	1	367.449	2.463	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000429926990	559808862	/nfs/dbraw/zinc/80/88/62/559808862.db2.gz	BAUUICDUVTYRTF-UONOGXRCSA-N	1	1	366.487	2.224	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[NH+]2CCC(CO)(c3ccccc3)CC2)cc1	ZINC000433053383	559870570	/nfs/dbraw/zinc/87/05/70/559870570.db2.gz	PZGKVECHVGIKLH-UHFFFAOYSA-N	1	1	363.461	2.201	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC[N@H+]1C	ZINC000433869692	559889200	/nfs/dbraw/zinc/88/92/00/559889200.db2.gz	NCQMVPNHEUDZBO-ZYHUDNBSSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1	ZINC000435018276	559914318	/nfs/dbraw/zinc/91/43/18/559914318.db2.gz	BXNSTWYYIOJWOT-HXUWFJFHSA-N	1	1	366.509	2.218	20	30		FEEDMO
CC[C@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)C[C@@H]1[NH+]1CCOCC1	ZINC000435090246	559916023	/nfs/dbraw/zinc/91/60/23/559916023.db2.gz	ACBHZVJKZYHPOP-HKUYNNGSSA-N	1	1	353.466	2.159	20	30		FEEDMO
CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000435124811	559916793	/nfs/dbraw/zinc/91/67/93/559916793.db2.gz	AQYXZLDNTUKGAH-GOSISDBHSA-N	1	1	366.469	2.349	20	30		FEEDMO
CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000435153541	559917428	/nfs/dbraw/zinc/91/74/28/559917428.db2.gz	KONMDKXJXDDWGB-CYBMUJFWSA-N	1	1	373.400	2.434	20	30		FEEDMO
CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000435153541	559917429	/nfs/dbraw/zinc/91/74/29/559917429.db2.gz	KONMDKXJXDDWGB-CYBMUJFWSA-N	1	1	373.400	2.434	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1c[nH+]c(N(C)C)n1C	ZINC000435536595	559924823	/nfs/dbraw/zinc/92/48/23/559924823.db2.gz	AXRNLOWCBJPGNI-UHFFFAOYSA-N	1	1	372.429	2.292	20	30		FEEDMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3cc(C#N)oc3C)n2)c1C	ZINC000437199856	559961762	/nfs/dbraw/zinc/96/17/62/559961762.db2.gz	SBUHCWCWQKMQKL-UHFFFAOYSA-N	1	1	366.381	2.372	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000438944254	559985858	/nfs/dbraw/zinc/98/58/58/559985858.db2.gz	QKJIHRMGMOLPTP-HNNXBMFYSA-N	1	1	353.463	2.486	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000439354703	559992663	/nfs/dbraw/zinc/99/26/63/559992663.db2.gz	RYPKQIPLSNHTLO-LLVKDONJSA-N	1	1	368.359	2.068	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1	ZINC000439469444	559994744	/nfs/dbraw/zinc/99/47/44/559994744.db2.gz	AAADDBWHXBULKW-GQIGUUNPSA-N	1	1	363.502	2.438	20	30		FEEDMO
C=CCN(C(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)C1CC1	ZINC000442417285	560051154	/nfs/dbraw/zinc/05/11/54/560051154.db2.gz	WMBYOMQQFZDQJT-IYBDPMFKSA-N	1	1	371.481	2.411	20	30		FEEDMO
C=CCN(C(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)C1CC1	ZINC000442417285	560051155	/nfs/dbraw/zinc/05/11/55/560051155.db2.gz	WMBYOMQQFZDQJT-IYBDPMFKSA-N	1	1	371.481	2.411	20	30		FEEDMO
C=CC[C@H]1[N@@H+](CC(=O)c2c(N)n(CCC)c(=O)[nH]c2=O)CCCC1(C)C	ZINC000444774651	560120419	/nfs/dbraw/zinc/12/04/19/560120419.db2.gz	JYADLQVMOBHNAK-CQSZACIVSA-N	1	1	362.474	2.191	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1	ZINC000444806186	560121403	/nfs/dbraw/zinc/12/14/03/560121403.db2.gz	UBLBRYKYFBNSCV-QZTJIDSGSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1	ZINC000444806186	560121404	/nfs/dbraw/zinc/12/14/04/560121404.db2.gz	UBLBRYKYFBNSCV-QZTJIDSGSA-N	1	1	367.511	2.054	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000448321750	560184038	/nfs/dbraw/zinc/18/40/38/560184038.db2.gz	NPRAMKLOMLNOCF-OAHLLOKOSA-N	1	1	362.861	2.387	20	30		FEEDMO
C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000448836672	560201700	/nfs/dbraw/zinc/20/17/00/560201700.db2.gz	PXQYLCRIAIQZLK-QRWLVFNGSA-N	1	1	352.438	2.462	20	30		FEEDMO
C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cccc(C#N)c1Br	ZINC000448971816	560209616	/nfs/dbraw/zinc/20/96/16/560209616.db2.gz	QANUJGIBEPZEGT-LBPRGKRZSA-N	1	1	366.259	2.161	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@H+]1C	ZINC000449942636	560245970	/nfs/dbraw/zinc/24/59/70/560245970.db2.gz	UTYIZOJXAVCNBQ-VHDGCEQUSA-N	1	1	374.872	2.163	20	30		FEEDMO
N#Cc1cccc(NCCCN2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-]	ZINC000450293540	560257468	/nfs/dbraw/zinc/25/74/68/560257468.db2.gz	JZSVAEIIDRNYEK-UHFFFAOYSA-N	1	1	366.425	2.486	20	30		FEEDMO
CCOCC[N@@H+]1CCN(c2ncc(Br)cc2C#N)C[C@@H]1C	ZINC000450310492	560257926	/nfs/dbraw/zinc/25/79/26/560257926.db2.gz	DSQIZNODJMIPEK-LBPRGKRZSA-N	1	1	353.264	2.263	20	30		FEEDMO
CCOCC[N@H+]1CCN(c2ncc(Br)cc2C#N)C[C@@H]1C	ZINC000450310492	560257927	/nfs/dbraw/zinc/25/79/27/560257927.db2.gz	DSQIZNODJMIPEK-LBPRGKRZSA-N	1	1	353.264	2.263	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)COc1ccc(C#N)c(Br)c1	ZINC000450693242	560270283	/nfs/dbraw/zinc/27/02/83/560270283.db2.gz	BIBNMIGLTFDYOR-UHFFFAOYSA-N	1	1	366.259	2.252	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3ccc(C#N)c(C)n3)C2)CC1	ZINC000450781367	560273106	/nfs/dbraw/zinc/27/31/06/560273106.db2.gz	ZQRASBCOTLCZCI-GOSISDBHSA-N	1	1	355.486	2.032	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@H]1C	ZINC000451236052	560294907	/nfs/dbraw/zinc/29/49/07/560294907.db2.gz	MKIDWSUKJZIZAP-DYVFJYSZSA-N	1	1	353.463	2.332	20	30		FEEDMO
COc1c(C)c[nH+]c(CN(C)CC(=O)NCc2cccc(C#N)c2)c1C	ZINC000451369959	560302983	/nfs/dbraw/zinc/30/29/83/560302983.db2.gz	ARCLTARRYASRKG-UHFFFAOYSA-N	1	1	352.438	2.327	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000451550439	560314056	/nfs/dbraw/zinc/31/40/56/560314056.db2.gz	RRSCBMWAUNIETN-HIFRSBDPSA-N	1	1	360.414	2.175	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000451550439	560314057	/nfs/dbraw/zinc/31/40/57/560314057.db2.gz	RRSCBMWAUNIETN-HIFRSBDPSA-N	1	1	360.414	2.175	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1	ZINC000451706007	560323463	/nfs/dbraw/zinc/32/34/63/560323463.db2.gz	JFOKBTBWXOAHKZ-WIYYLYMNSA-N	1	1	356.514	2.495	20	30		FEEDMO
C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)CC[N@@H+](Cc2ccccc2)C1	ZINC000451714263	560324210	/nfs/dbraw/zinc/32/42/10/560324210.db2.gz	VBGAWKMQLFKWEE-IBGZPJMESA-N	1	1	367.497	2.096	20	30		FEEDMO
CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000451947710	560340028	/nfs/dbraw/zinc/34/00/28/560340028.db2.gz	QEFAMVNUOVHDGD-NUEKZKHPSA-N	1	1	363.483	2.413	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1	ZINC000452044059	560347528	/nfs/dbraw/zinc/34/75/28/560347528.db2.gz	VTPROTPAZGUOPQ-UHFFFAOYSA-N	1	1	368.403	2.133	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CCCO)C1	ZINC000452127274	560353019	/nfs/dbraw/zinc/35/30/19/560353019.db2.gz	KZXPGAAAULBHPV-IAGOWNOFSA-N	1	1	359.470	2.425	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[N@H+](C(C)C)CC1	ZINC000453454729	560387078	/nfs/dbraw/zinc/38/70/78/560387078.db2.gz	QSAGSONDPQYMBV-KRWDZBQOSA-N	1	1	365.522	2.499	20	30		FEEDMO
CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000453585464	560389711	/nfs/dbraw/zinc/38/97/11/560389711.db2.gz	SROPLUPAFQNVBX-UHFFFAOYSA-N	1	1	362.861	2.145	20	30		FEEDMO
CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C)n2)CC1	ZINC000453609323	560391043	/nfs/dbraw/zinc/39/10/43/560391043.db2.gz	VWYZYVHIOFFNNQ-UHFFFAOYSA-N	1	1	371.485	2.171	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000453704794	560398132	/nfs/dbraw/zinc/39/81/32/560398132.db2.gz	TXMYZMQXEGKAQD-DOTOQJQBSA-N	1	1	368.481	2.460	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+](C2CC2)C1	ZINC000453771076	560403216	/nfs/dbraw/zinc/40/32/16/560403216.db2.gz	UEGZUDGXKREPAP-ZDUSSCGKSA-N	1	1	374.872	2.287	20	30		FEEDMO
C=C(C)CCNC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000453874836	560409902	/nfs/dbraw/zinc/40/99/02/560409902.db2.gz	KQUZIFOJWWUPMW-IYBDPMFKSA-N	1	1	359.470	2.317	20	30		FEEDMO
C=C(C)CCNC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000453874836	560409903	/nfs/dbraw/zinc/40/99/03/560409903.db2.gz	KQUZIFOJWWUPMW-IYBDPMFKSA-N	1	1	359.470	2.317	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCC[N@H+]1CCO	ZINC000454570205	560449944	/nfs/dbraw/zinc/44/99/44/560449944.db2.gz	DLOLSTGEFLSAII-MRXNPFEDSA-N	1	1	360.458	2.314	20	30		FEEDMO
C[C@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)C[NH+]1CCOCC1	ZINC000455694592	560492011	/nfs/dbraw/zinc/49/20/11/560492011.db2.gz	AEHFUTOIRFQJQW-CYBMUJFWSA-N	1	1	350.850	2.496	20	30		FEEDMO
C=CCN(C(=O)Cn1cc[nH+]c1C)[C@@H](Cc1ccccc1)C(=O)OCC	ZINC000457766013	560586434	/nfs/dbraw/zinc/58/64/34/560586434.db2.gz	XVECMPXUIPWOIQ-SFHVURJKSA-N	1	1	355.438	2.381	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCc2ccc(C#N)c(F)c2)C[C@@H](C)O1	ZINC000459132828	560668910	/nfs/dbraw/zinc/66/89/10/560668910.db2.gz	XVKTUMJZAQCRRA-IIDMSEBBSA-N	1	1	374.460	2.481	20	30		FEEDMO
C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@@H+]1C1CCN(C)CC1	ZINC000459376169	560683176	/nfs/dbraw/zinc/68/31/76/560683176.db2.gz	QZDMPTPHUJDQIJ-OAHLLOKOSA-N	1	1	357.458	2.067	20	30		FEEDMO
C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@H+]1C1CCN(C)CC1	ZINC000459376169	560683177	/nfs/dbraw/zinc/68/31/77/560683177.db2.gz	QZDMPTPHUJDQIJ-OAHLLOKOSA-N	1	1	357.458	2.067	20	30		FEEDMO
COc1cc(CCNC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)ccc1OC(F)F	ZINC000459450380	560687228	/nfs/dbraw/zinc/68/72/28/560687228.db2.gz	ACBFINRJMLBXDB-KBPBESRZSA-N	1	1	367.396	2.237	20	30		FEEDMO
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH2+][C@H]1CCC[C@H]1C#N	ZINC000459466259	560687972	/nfs/dbraw/zinc/68/79/72/560687972.db2.gz	ODIZBBYAFAEZAI-LPHOPBHVSA-N	1	1	351.454	2.387	20	30		FEEDMO
CON1CCC([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000459579728	560695486	/nfs/dbraw/zinc/69/54/86/560695486.db2.gz	LNIZRKSAAFUMMY-UHFFFAOYSA-N	1	1	350.850	2.498	20	30		FEEDMO
CCNC(=O)C(C)(C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000459596550	560696738	/nfs/dbraw/zinc/69/67/38/560696738.db2.gz	NQZZXLYQYYVLEF-UHFFFAOYSA-N	1	1	362.499	2.331	20	30		FEEDMO
CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000460133688	560735935	/nfs/dbraw/zinc/73/59/35/560735935.db2.gz	YUTYTYJBWRFOLK-RTBURBONSA-N	1	1	356.470	2.343	20	30		FEEDMO
CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1	ZINC000460241144	560739113	/nfs/dbraw/zinc/73/91/13/560739113.db2.gz	VPXDETIKBGNVLQ-KRWDZBQOSA-N	1	1	366.469	2.422	20	30		FEEDMO
C=C(C)Cn1c(COCC)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000460369480	560742557	/nfs/dbraw/zinc/74/25/57/560742557.db2.gz	JGVFGRDRAUVECV-MRXNPFEDSA-N	1	1	363.506	2.080	20	30		FEEDMO
C=C(C)Cn1c(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)nnc1C(C)(C)C	ZINC000460944727	560756750	/nfs/dbraw/zinc/75/67/50/560756750.db2.gz	SBLYHTCHFZUQFT-QGZVFWFLSA-N	1	1	360.550	2.368	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@H]1CCC[C@H]1C#N)CC2	ZINC000461945447	560789124	/nfs/dbraw/zinc/78/91/24/560789124.db2.gz	CNYFOADWKRCWLW-RDJZCZTQSA-N	1	1	372.469	2.053	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@H]1CCC[C@H]1C#N)CC2	ZINC000461945447	560789125	/nfs/dbraw/zinc/78/91/25/560789125.db2.gz	CNYFOADWKRCWLW-RDJZCZTQSA-N	1	1	372.469	2.053	20	30		FEEDMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)N[C@H]2CCC[C@@H]2C#N)c1	ZINC000461960237	560789872	/nfs/dbraw/zinc/78/98/72/560789872.db2.gz	SXSKLKJVDDREBZ-MJGOQNOKSA-N	1	1	374.485	2.135	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1	ZINC000461964897	560790062	/nfs/dbraw/zinc/79/00/62/560790062.db2.gz	WMCTWISTPICAOV-MSOLQXFVSA-N	1	1	350.507	2.459	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1	ZINC000464799338	560851593	/nfs/dbraw/zinc/85/15/93/560851593.db2.gz	OKQKCPQQFYVKNI-QRWLVFNGSA-N	1	1	372.444	2.063	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1	ZINC000464799338	560851594	/nfs/dbraw/zinc/85/15/94/560851594.db2.gz	OKQKCPQQFYVKNI-QRWLVFNGSA-N	1	1	372.444	2.063	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H]1C	ZINC000469855081	560966633	/nfs/dbraw/zinc/96/66/33/560966633.db2.gz	UFMRUCVCHWWPRP-IAGOWNOFSA-N	1	1	357.454	2.434	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H]1C	ZINC000469855081	560966634	/nfs/dbraw/zinc/96/66/34/560966634.db2.gz	UFMRUCVCHWWPRP-IAGOWNOFSA-N	1	1	357.454	2.434	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H]1C	ZINC000469997543	560971075	/nfs/dbraw/zinc/97/10/75/560971075.db2.gz	AJAYBFOWHDPDMB-XJKSGUPXSA-N	1	1	363.845	2.470	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H]1C	ZINC000469997543	560971076	/nfs/dbraw/zinc/97/10/76/560971076.db2.gz	AJAYBFOWHDPDMB-XJKSGUPXSA-N	1	1	363.845	2.470	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1	ZINC000470100787	560974319	/nfs/dbraw/zinc/97/43/19/560974319.db2.gz	PLWLKOQAIFOWKQ-MRXNPFEDSA-N	1	1	362.470	2.491	20	30		FEEDMO
C=CCOCCC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1	ZINC000470757123	560988948	/nfs/dbraw/zinc/98/89/48/560988948.db2.gz	RBKDNKUMLRUYGT-GOSISDBHSA-N	1	1	364.511	2.436	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@@H]1CC(=O)OC	ZINC000476572427	561122939	/nfs/dbraw/zinc/12/29/39/561122939.db2.gz	QFCCBZZFPCLOQQ-DLBZAZTESA-N	1	1	365.495	2.135	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@@H]1C	ZINC000476610401	561124136	/nfs/dbraw/zinc/12/41/36/561124136.db2.gz	WTZWVOBWIVWROU-FUHWJXTLSA-N	1	1	357.454	2.170	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C[C@@H]1C	ZINC000476610401	561124137	/nfs/dbraw/zinc/12/41/37/561124137.db2.gz	WTZWVOBWIVWROU-FUHWJXTLSA-N	1	1	357.454	2.170	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCOC[C@@H](C2CCC2)C1	ZINC000528510632	562333222	/nfs/dbraw/zinc/33/32/22/562333222.db2.gz	BSYIRTPKDPJDOG-KRWDZBQOSA-N	1	1	352.434	2.035	20	30		FEEDMO
Cc1ccnc([C@H]2CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)c1	ZINC000528515844	562333355	/nfs/dbraw/zinc/33/33/55/562333355.db2.gz	BDFMJBXMENKMIF-KRWDZBQOSA-N	1	1	359.429	2.479	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1	ZINC000528534668	562334744	/nfs/dbraw/zinc/33/47/44/562334744.db2.gz	CZMUMGVZXVZRNJ-APWZRJJASA-N	1	1	352.434	2.177	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)CC(C)(C)OC	ZINC000531576040	562450580	/nfs/dbraw/zinc/45/05/80/562450580.db2.gz	OYTLBFBRFIUNQI-UHFFFAOYSA-N	1	1	364.490	2.308	20	30		FEEDMO
CC1CC(C#N)(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1	ZINC000531808453	562457314	/nfs/dbraw/zinc/45/73/14/562457314.db2.gz	AWLHUBPDFXDLKS-UHFFFAOYSA-N	1	1	354.498	2.250	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1	ZINC000532378848	562475838	/nfs/dbraw/zinc/47/58/38/562475838.db2.gz	GZMDFXCSXZAAJT-KXBFYZLASA-N	1	1	351.491	2.485	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1	ZINC000532378848	562475839	/nfs/dbraw/zinc/47/58/39/562475839.db2.gz	GZMDFXCSXZAAJT-KXBFYZLASA-N	1	1	351.491	2.485	20	30		FEEDMO
CC(C)C[N@@H+](CC(=O)NCC(=O)NC(C)(C)C)Cc1ccc(C#N)cc1	ZINC000532933498	562492896	/nfs/dbraw/zinc/49/28/96/562492896.db2.gz	FTBCEIHUUOPDOB-UHFFFAOYSA-N	1	1	358.486	2.047	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1nccs1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000532960524	562494035	/nfs/dbraw/zinc/49/40/35/562494035.db2.gz	PROUYXVVYFNNMQ-ZDUSSCGKSA-N	1	1	369.454	2.307	20	30		FEEDMO
C=CC[N@@H+](CC(=O)Nc1nccs1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000532960524	562494036	/nfs/dbraw/zinc/49/40/36/562494036.db2.gz	PROUYXVVYFNNMQ-ZDUSSCGKSA-N	1	1	369.454	2.307	20	30		FEEDMO
COC(=O)c1cccc(C[N@H+](CCC(N)=O)Cc2ccccc2)c1C#N	ZINC000534470483	562534705	/nfs/dbraw/zinc/53/47/05/562534705.db2.gz	PVJNEXPSLMPDMK-UHFFFAOYSA-N	1	1	351.406	2.222	20	30		FEEDMO
COC(=O)c1cccc(C[N@@H+](CCC(N)=O)Cc2ccccc2)c1C#N	ZINC000534470483	562534706	/nfs/dbraw/zinc/53/47/06/562534706.db2.gz	PVJNEXPSLMPDMK-UHFFFAOYSA-N	1	1	351.406	2.222	20	30		FEEDMO
N#Cc1ccsc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000534917940	562545105	/nfs/dbraw/zinc/54/51/05/562545105.db2.gz	YGIHJEKFWPRLEU-SJORKVTESA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1cccc(-c2csc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)n2)c1	ZINC000535728906	562565809	/nfs/dbraw/zinc/56/58/09/562565809.db2.gz	CTJHIFFMJYYUNJ-MRXNPFEDSA-N	1	1	353.451	2.010	20	30		FEEDMO
O=C(NC1CC1)N[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000545506241	562628457	/nfs/dbraw/zinc/62/84/57/562628457.db2.gz	SKBLRUGXNHZSDJ-OAHLLOKOSA-N	1	1	367.371	2.473	20	30		FEEDMO
O=C(NC1CC1)N[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000545506241	562628458	/nfs/dbraw/zinc/62/84/58/562628458.db2.gz	SKBLRUGXNHZSDJ-OAHLLOKOSA-N	1	1	367.371	2.473	20	30		FEEDMO
CCC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@H]1CC(=O)N(C)C1=O	ZINC000549820346	562640065	/nfs/dbraw/zinc/64/00/65/562640065.db2.gz	FSNBLUDHUXZPJT-INIZCTEOSA-N	1	1	373.453	2.347	20	30		FEEDMO
CCC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@H]1CC(=O)N(C)C1=O	ZINC000549820346	562640066	/nfs/dbraw/zinc/64/00/66/562640066.db2.gz	FSNBLUDHUXZPJT-INIZCTEOSA-N	1	1	373.453	2.347	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000609470577	567826622	/nfs/dbraw/zinc/82/66/22/567826622.db2.gz	BPVFMFZLHWTPIT-SJORKVTESA-N	1	1	373.476	2.307	20	30		FEEDMO
COc1cc([C@H](C#N)NC(=O)C[N@@H+](C)CC(C)(C)C)cc(OC)c1OC	ZINC000602089965	567923882	/nfs/dbraw/zinc/92/38/82/567923882.db2.gz	ZXUMVDFXOQUCHY-AWEZNQCLSA-N	1	1	363.458	2.371	20	30		FEEDMO
C[N@H+]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000609471655	568010959	/nfs/dbraw/zinc/01/09/59/568010959.db2.gz	OWSRQHIYZLJJOR-MRXNPFEDSA-N	1	1	359.449	2.013	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(OC(F)F)cn2)cc1	ZINC000568501735	568038477	/nfs/dbraw/zinc/03/84/77/568038477.db2.gz	BHUZTSGSDCEPLK-UHFFFAOYSA-N	1	1	367.377	2.118	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)CCC1	ZINC000602810749	568041986	/nfs/dbraw/zinc/04/19/86/568041986.db2.gz	IOPJSMNROREYNO-INIZCTEOSA-N	1	1	351.454	2.311	20	30		FEEDMO
O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1C[C@H]2CC[C@@H](C1)O2	ZINC000330275408	568083057	/nfs/dbraw/zinc/08/30/57/568083057.db2.gz	LLRMJFKJVZIBGW-OTWHNJEPSA-N	1	1	359.470	2.055	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1	ZINC000603901467	568180128	/nfs/dbraw/zinc/18/01/28/568180128.db2.gz	QIEHGOMQDKLNNZ-LJQANCHMSA-N	1	1	353.422	2.386	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000568926021	568253051	/nfs/dbraw/zinc/25/30/51/568253051.db2.gz	QIGRQFRYTRMZBW-AWEZNQCLSA-N	1	1	354.458	2.176	20	30		FEEDMO
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN([C@H](C#N)C(C)C)CC1	ZINC000609487118	568346603	/nfs/dbraw/zinc/34/66/03/568346603.db2.gz	WXEUQQCMMAXDQH-GOSISDBHSA-N	1	1	373.457	2.398	20	30		FEEDMO
CC[C@H]1C[N@H+](CCNc2c(C#N)cnc3c(F)c(F)c(F)cc32)CCO1	ZINC000569394360	568400517	/nfs/dbraw/zinc/40/05/17/568400517.db2.gz	SKBIBOXPFPJKDQ-LBPRGKRZSA-N	1	1	364.371	2.468	20	30		FEEDMO
CC[C@H]1C[N@@H+](CCNc2c(C#N)cnc3c(F)c(F)c(F)cc32)CCO1	ZINC000569394360	568400518	/nfs/dbraw/zinc/40/05/18/568400518.db2.gz	SKBIBOXPFPJKDQ-LBPRGKRZSA-N	1	1	364.371	2.468	20	30		FEEDMO
C[NH+]1CCN(C[C@@H](O)CNc2cccc(Oc3ccc(C#N)cc3)c2)CC1	ZINC000569475459	568401786	/nfs/dbraw/zinc/40/17/86/568401786.db2.gz	HNRVRTORDSKNGZ-IBGZPJMESA-N	1	1	366.465	2.371	20	30		FEEDMO
CC(C)[NH2+]CCCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000570382925	568481815	/nfs/dbraw/zinc/48/18/15/568481815.db2.gz	VFIQOGCJDNRBFP-UHFFFAOYSA-N	1	1	357.502	2.164	20	30		FEEDMO
C#CC[N@@H+](CC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CC[C@@H](C)C2	ZINC000819702201	606074768	/nfs/dbraw/zinc/07/47/68/606074768.db2.gz	SWLNWRSWKCIYOX-GFCCVEGCSA-N	1	1	372.498	2.337	20	30		FEEDMO
C#CC[N@@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCCC1	ZINC000819697410	606784761	/nfs/dbraw/zinc/78/47/61/606784761.db2.gz	DSAFFNPUBMOZGB-UHFFFAOYSA-N	1	1	358.833	2.336	20	30		FEEDMO
C#CC[N@H+](CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C1CCCC1	ZINC000819697410	606784764	/nfs/dbraw/zinc/78/47/64/606784764.db2.gz	DSAFFNPUBMOZGB-UHFFFAOYSA-N	1	1	358.833	2.336	20	30		FEEDMO
C=CC[N@H+](CCc1nc(C(C)=O)c(C)[nH]1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823909518	607958134	/nfs/dbraw/zinc/95/81/34/607958134.db2.gz	HJQVXMJJHYVOJV-UHFFFAOYSA-N	1	1	365.441	2.332	20	30		FEEDMO
C=CC[N@@H+](CCc1nc(C)c(C(C)=O)[nH]1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823909518	607958135	/nfs/dbraw/zinc/95/81/35/607958135.db2.gz	HJQVXMJJHYVOJV-UHFFFAOYSA-N	1	1	365.441	2.332	20	30		FEEDMO
C=CC[N@H+](CCc1nc(C)c(C(C)=O)[nH]1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823909518	607958136	/nfs/dbraw/zinc/95/81/36/607958136.db2.gz	HJQVXMJJHYVOJV-UHFFFAOYSA-N	1	1	365.441	2.332	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1CCC(CC#N)CC1	ZINC000824045241	609428329	/nfs/dbraw/zinc/42/83/29/609428329.db2.gz	JUUGUSPJYBPMBW-LLVKDONJSA-N	1	1	373.848	2.473	20	30		FEEDMO
N#CC1(CS(=O)(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1	ZINC000562003538	674714925	/nfs/dbraw/zinc/71/49/25/674714925.db2.gz	LUIPHIOMBRZXND-HDICACEKSA-N	1	1	359.495	2.074	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000562358376	674745736	/nfs/dbraw/zinc/74/57/36/674745736.db2.gz	RPMMDCIFQRMNBY-CQSZACIVSA-N	1	1	363.483	2.062	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCc3ccccc3CC2)nc1	ZINC000562552997	674769910	/nfs/dbraw/zinc/76/99/10/674769910.db2.gz	XQVQNAIRAASBQZ-UHFFFAOYSA-N	1	1	355.463	2.218	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCc3ccccc3CC2)nc1	ZINC000562552997	674769915	/nfs/dbraw/zinc/76/99/15/674769915.db2.gz	XQVQNAIRAASBQZ-UHFFFAOYSA-N	1	1	355.463	2.218	20	30		FEEDMO
C=CCCCNC(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000564528363	675032088	/nfs/dbraw/zinc/03/20/88/675032088.db2.gz	SKGUNQYDBCFPFL-IAGOWNOFSA-N	1	1	353.507	2.252	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1	ZINC000564915678	675076073	/nfs/dbraw/zinc/07/60/73/675076073.db2.gz	ABTHKORAZHWJIM-OAGGEKHMSA-N	1	1	351.491	2.294	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1	ZINC000564915678	675076075	/nfs/dbraw/zinc/07/60/75/675076075.db2.gz	ABTHKORAZHWJIM-OAGGEKHMSA-N	1	1	351.491	2.294	20	30		FEEDMO
C=CC[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1	ZINC000066561136	670444050	/nfs/dbraw/zinc/44/40/50/670444050.db2.gz	YNBXSANNUVCTEG-INIZCTEOSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CC[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1	ZINC000066561136	670444053	/nfs/dbraw/zinc/44/40/53/670444053.db2.gz	YNBXSANNUVCTEG-INIZCTEOSA-N	1	1	372.531	2.309	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1	ZINC000817716605	675164515	/nfs/dbraw/zinc/16/45/15/675164515.db2.gz	OWBZQUWQVKNCRG-JKSUJKDBSA-N	1	1	350.459	2.321	20	30		FEEDMO
N#Cc1cc(NCCC[NH+]2CCN(c3ccccc3Cl)CC2)ncn1	ZINC000576298535	671358981	/nfs/dbraw/zinc/35/89/81/671358981.db2.gz	RYPFAFWBSUZQFN-UHFFFAOYSA-N	1	1	356.861	2.626	20	30		FEEDMO
Cc1nsc(N2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)c1C#N	ZINC000577671760	671612338	/nfs/dbraw/zinc/61/23/38/671612338.db2.gz	FPPNELHPDOXUCJ-OAHLLOKOSA-N	1	1	361.515	2.236	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1	ZINC000609438303	675922122	/nfs/dbraw/zinc/92/21/22/675922122.db2.gz	BQLXYUSXWSEKTD-KBPBESRZSA-N	1	1	360.483	2.230	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1	ZINC000609438307	675922233	/nfs/dbraw/zinc/92/22/33/675922233.db2.gz	BQLXYUSXWSEKTD-ZIAGYGMSSA-N	1	1	360.483	2.230	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CCN1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000609433619	675922252	/nfs/dbraw/zinc/92/22/52/675922252.db2.gz	WRPXYZKTETWQLC-INIZCTEOSA-N	1	1	362.499	2.135	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(C(=O)N[C@]3(C#N)CCSC3)CC2)cs1	ZINC000609456904	675922618	/nfs/dbraw/zinc/92/26/18/675922618.db2.gz	XQCBWTQEOSBHEQ-INIZCTEOSA-N	1	1	350.513	2.179	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)NCC2(C#N)CCC2)c2cccs2)CC1	ZINC000578122609	671642213	/nfs/dbraw/zinc/64/22/13/671642213.db2.gz	UGZBJGPQBPTFPC-OAHLLOKOSA-N	1	1	361.515	2.030	20	30		FEEDMO
CC[C@@](C)(C#N)C(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000579264239	671723446	/nfs/dbraw/zinc/72/34/46/671723446.db2.gz	DIBFJCMSVAGIAB-FCEWJHQRSA-N	1	1	351.491	2.043	20	30		FEEDMO
CC[C@@](C)(C#N)C(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000579264239	671723447	/nfs/dbraw/zinc/72/34/47/671723447.db2.gz	DIBFJCMSVAGIAB-FCEWJHQRSA-N	1	1	351.491	2.043	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](n3ccnn3)C2)cc1Cl	ZINC000580437779	671807474	/nfs/dbraw/zinc/80/74/74/671807474.db2.gz	WVHCMCYKKAJNSJ-OAHLLOKOSA-N	1	1	358.833	2.469	20	30		FEEDMO
COCC[N@@H+]1[C@H](C)CN(CC(=O)Nc2cc(Cl)ccc2C#N)C[C@@H]1C	ZINC000128944726	672055182	/nfs/dbraw/zinc/05/51/82/672055182.db2.gz	NNYUFNVVSXRKCA-OKILXGFUSA-N	1	1	364.877	2.191	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1C(F)(F)F	ZINC000610583892	675982768	/nfs/dbraw/zinc/98/27/68/675982768.db2.gz	UVDMHMRARRRLEZ-CYBMUJFWSA-N	1	1	373.400	2.340	20	30		FEEDMO
C=CCn1c(C)nn(CN2CC[N@@H+](CCOC)[C@@H](CCC)C2)c1=S	ZINC000159824093	672285434	/nfs/dbraw/zinc/28/54/34/672285434.db2.gz	DYODZJYYKZVCAW-INIZCTEOSA-N	1	1	353.536	2.299	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CC(N)=NOCC(=O)N1CCC[C@H]2CCCC[C@@H]21	ZINC000177592701	672384038	/nfs/dbraw/zinc/38/40/38/672384038.db2.gz	OAYZCUVZKQHLSG-ZACQAIPSSA-N	1	1	350.507	2.331	20	30		FEEDMO
C[C@H](CNC(=O)c1c(Cl)cc(C#N)cc1Cl)CN1CC[NH+](C)CC1	ZINC000611094226	676016927	/nfs/dbraw/zinc/01/69/27/676016927.db2.gz	BNXIIGSXYGVCGA-GFCCVEGCSA-N	1	1	369.296	2.478	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1cncc(C#N)c1)c1ccc(Cl)cc1	ZINC000589282304	672519266	/nfs/dbraw/zinc/51/92/66/672519266.db2.gz	TXJFQHNKKBPJIV-MRXNPFEDSA-N	1	1	364.858	2.188	20	30		FEEDMO
C=CCOCCN[C@H](C[NH+]1CCC(C(N)=O)CC1)c1ccc(Cl)cc1	ZINC000680349104	672567445	/nfs/dbraw/zinc/56/74/45/672567445.db2.gz	HCUQWHCQYLBYPF-GOSISDBHSA-N	1	1	365.905	2.371	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@H](Nc3ncc(Br)cc3C#N)C2)CC1	ZINC000590690088	672602327	/nfs/dbraw/zinc/60/23/27/672602327.db2.gz	PUOWBUUOGUWJKT-AWEZNQCLSA-N	1	1	364.291	2.296	20	30		FEEDMO
C[NH+]1CCC(N2CC[C@H](Nc3ncc(Br)cc3C#N)C2)CC1	ZINC000590690088	672602331	/nfs/dbraw/zinc/60/23/31/672602331.db2.gz	PUOWBUUOGUWJKT-AWEZNQCLSA-N	1	1	364.291	2.296	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1	ZINC000593457181	672926690	/nfs/dbraw/zinc/92/66/90/672926690.db2.gz	WCOVDUWSYBOTQD-HNNXBMFYSA-N	1	1	350.260	2.464	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1ccsc1C#N	ZINC000593595548	672953859	/nfs/dbraw/zinc/95/38/59/672953859.db2.gz	OMOMQFLJZMPLCK-UHFFFAOYSA-N	1	1	353.469	2.355	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl	ZINC000594326951	673059073	/nfs/dbraw/zinc/05/90/73/673059073.db2.gz	SNMWHQXYWKVISU-JKSUJKDBSA-N	1	1	360.845	2.283	20	30		FEEDMO
CC(C)N1CC[NH+](C2CCN(C(=O)NCc3nccs3)CC2)CC1	ZINC000328825808	673067549	/nfs/dbraw/zinc/06/75/49/673067549.db2.gz	HRNXSRNRSNFXRD-UHFFFAOYSA-N	1	1	351.520	2.048	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)[N@H+](C)C1	ZINC000328950187	673069917	/nfs/dbraw/zinc/06/99/17/673069917.db2.gz	CFGCQZIOELGWFU-GLQYFDAESA-N	1	1	369.824	2.260	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)[N@@H+](C)C1	ZINC000328950187	673069921	/nfs/dbraw/zinc/06/99/21/673069921.db2.gz	CFGCQZIOELGWFU-GLQYFDAESA-N	1	1	369.824	2.260	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)[N@H+](C)C1	ZINC000329041589	673071489	/nfs/dbraw/zinc/07/14/89/673071489.db2.gz	OMQMFLIAXBALKY-CQDKDKBSSA-N	1	1	369.824	2.260	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)[N@@H+](C)C1	ZINC000329041589	673071491	/nfs/dbraw/zinc/07/14/91/673071491.db2.gz	OMQMFLIAXBALKY-CQDKDKBSSA-N	1	1	369.824	2.260	20	30		FEEDMO
O=C(NCC[NH+]1CCSCC1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1	ZINC000329463561	673078001	/nfs/dbraw/zinc/07/80/01/673078001.db2.gz	UMEOHKJVYXHSRI-JKSUJKDBSA-N	1	1	353.532	2.421	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@H](c2ccccc2Cl)[NH+](C)C)C1=O	ZINC000348459989	673115150	/nfs/dbraw/zinc/11/51/50/673115150.db2.gz	KJCAQMKILWIQJU-LSDHHAIUSA-N	1	1	351.834	2.066	20	30		FEEDMO
N#Cc1sccc1N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1	ZINC000595496113	673257916	/nfs/dbraw/zinc/25/79/16/673257916.db2.gz	VPWUMIUDQWJXRG-LSDHHAIUSA-N	1	1	359.499	2.078	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCOc1cccc(Br)c1	ZINC000730105084	673262388	/nfs/dbraw/zinc/26/23/88/673262388.db2.gz	BEVVWDSVACWDBD-HNNXBMFYSA-N	1	1	351.244	2.042	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCOc1cccc(Br)c1	ZINC000730105084	673262391	/nfs/dbraw/zinc/26/23/91/673262391.db2.gz	BEVVWDSVACWDBD-HNNXBMFYSA-N	1	1	351.244	2.042	20	30		FEEDMO
C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599308839	673656468	/nfs/dbraw/zinc/65/64/68/673656468.db2.gz	YBLWIZNHNUVWND-FZXICVGQSA-N	1	1	364.511	2.488	20	30		FEEDMO
C[N@H+](Cc1ccc([S@@](C)=O)cc1)C[C@H](O)COc1ccccc1C#N	ZINC000599309344	673656947	/nfs/dbraw/zinc/65/69/47/673656947.db2.gz	WJOBWNJPGJBFCN-SSOJOUAXSA-N	1	1	358.463	2.167	20	30		FEEDMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599339003	673661126	/nfs/dbraw/zinc/66/11/26/673661126.db2.gz	DMMXMRHDKNTEJB-IRXDYDNUSA-N	1	1	352.475	2.113	20	30		FEEDMO
N#CC[C@@]1(O)CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1	ZINC000599455146	673677154	/nfs/dbraw/zinc/67/71/54/673677154.db2.gz	IDLOTRFOFDTDSB-GDBMZVCRSA-N	1	1	364.243	2.053	20	30		FEEDMO
N#CC[C@@]1(O)CC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1	ZINC000599455146	673677155	/nfs/dbraw/zinc/67/71/55/673677155.db2.gz	IDLOTRFOFDTDSB-GDBMZVCRSA-N	1	1	364.243	2.053	20	30		FEEDMO
C[C@@H]1C[NH+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C[C@@H](C)S1	ZINC000743376777	673757329	/nfs/dbraw/zinc/75/73/29/673757329.db2.gz	UXPABSSOYKYMBB-ZIAGYGMSSA-N	1	1	358.467	2.106	20	30		FEEDMO
C[C@](O)(C[C@H](O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1)C1CC1	ZINC000600846193	673803336	/nfs/dbraw/zinc/80/33/36/673803336.db2.gz	NESVHYCGQAEDLY-LPHOPBHVSA-N	1	1	363.889	2.246	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1C	ZINC000601355530	673847304	/nfs/dbraw/zinc/84/73/04/673847304.db2.gz	TXCIVFPXWPNVAT-XJKSGUPXSA-N	1	1	353.463	2.499	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21	ZINC000601374139	673850927	/nfs/dbraw/zinc/85/09/27/673850927.db2.gz	BHCMFXGYJGRTSO-BBRMVZONSA-N	1	1	351.447	2.111	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@H](c2c(F)cccc2Cl)N(C)C)CC1	ZINC000746191454	673866444	/nfs/dbraw/zinc/86/64/44/673866444.db2.gz	QOZZUWHZRVRHBW-KRWDZBQOSA-N	1	1	351.853	2.249	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)CC1(CC#N)CC1	ZINC000601481361	673869462	/nfs/dbraw/zinc/86/94/62/673869462.db2.gz	DZHQCVAKAJDXGQ-FUHWJXTLSA-N	1	1	361.511	2.368	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](n3ccnn3)CC2)C1=O	ZINC000602891836	673913133	/nfs/dbraw/zinc/91/31/33/673913133.db2.gz	JOZMYYMZIUTITJ-LSDHHAIUSA-N	1	1	356.455	2.044	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](n3ccnn3)CC2)C1=O	ZINC000602891836	673913135	/nfs/dbraw/zinc/91/31/35/673913135.db2.gz	JOZMYYMZIUTITJ-LSDHHAIUSA-N	1	1	356.455	2.044	20	30		FEEDMO
C=CCn1c(Cc2nc(C)cs2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1	ZINC000566738324	675239070	/nfs/dbraw/zinc/23/90/70/675239070.db2.gz	WBJOWEODLWHVOC-HNNXBMFYSA-N	1	1	358.515	2.493	20	30		FEEDMO
C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)c1nc(-c2ccc(Cl)cc2)no1	ZINC000819124063	675262820	/nfs/dbraw/zinc/26/28/20/675262820.db2.gz	LCIMLUKAYUVWSX-DOMZBBRYSA-N	1	1	363.849	2.247	20	30		FEEDMO
C[C@H]1CCC[N@H+]1CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819931963	675325289	/nfs/dbraw/zinc/32/52/89/675325289.db2.gz	YHRUQZLDYOWPIY-GJZGRUSLSA-N	1	1	352.479	2.174	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)CC2(C#N)CCC2)cc1F	ZINC000569039279	675419232	/nfs/dbraw/zinc/41/92/32/675419232.db2.gz	VIUQULNUTWXFTE-UHFFFAOYSA-N	1	1	362.430	2.433	20	30		FEEDMO
C#CC[N@@H+](CC)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC	ZINC000823419026	675551753	/nfs/dbraw/zinc/55/17/53/675551753.db2.gz	OQIPCTPTRYJOHP-GFCCVEGCSA-N	1	1	353.260	2.418	20	30		FEEDMO
C#CC[N@H+](CC)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC	ZINC000823419026	675551754	/nfs/dbraw/zinc/55/17/54/675551754.db2.gz	OQIPCTPTRYJOHP-GFCCVEGCSA-N	1	1	353.260	2.418	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CC[NH+]2CCCCC2)c1	ZINC000824114801	675584713	/nfs/dbraw/zinc/58/47/13/675584713.db2.gz	ADSZVPGNFCGRQC-UHFFFAOYSA-N	1	1	362.495	2.042	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CC[C@@H]21	ZINC000827234083	675741943	/nfs/dbraw/zinc/74/19/43/675741943.db2.gz	WNNRFLZDMPJGFA-BBRMVZONSA-N	1	1	362.271	2.416	20	30		FEEDMO
O=C(C#Cc1cccs1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000827316448	675747570	/nfs/dbraw/zinc/74/75/70/675747570.db2.gz	BJYBRZQGOVAIHQ-PKOBYXMFSA-N	1	1	354.475	2.099	20	30		FEEDMO
CC(C)(C)OCCC[NH+]1CCN(C(=O)C2(C#N)CCSCC2)CC1	ZINC000829399845	675878055	/nfs/dbraw/zinc/87/80/55/675878055.db2.gz	APCCIHPHUOVFFH-UHFFFAOYSA-N	1	1	353.532	2.373	20	30		FEEDMO
C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)C1	ZINC000625701903	676669298	/nfs/dbraw/zinc/66/92/98/676669298.db2.gz	UJPQWFQPVCUNJZ-OAHLLOKOSA-N	1	1	365.499	2.082	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)CCCOc2ccc(OC)cc2)CC1	ZINC000655502553	677644557	/nfs/dbraw/zinc/64/45/57/677644557.db2.gz	PJQMXOBFNNMBNV-UHFFFAOYSA-N	1	1	368.499	2.034	20	30		FEEDMO
C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CC[NH+](C(COC)COC)CC1	ZINC000661421361	678482399	/nfs/dbraw/zinc/48/23/99/678482399.db2.gz	UOENBCYRRGMTMS-SJLPKXTDSA-N	1	1	353.507	2.110	20	30		FEEDMO
C=CCn1c(C2CC2)nn(CN2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)c1=S	ZINC000840083951	680796859	/nfs/dbraw/zinc/79/68/59/680796859.db2.gz	PBCTWCGLKNRLIM-JKSUJKDBSA-N	1	1	363.531	2.230	20	30		FEEDMO
C=CCC1(NC(=O)NC2CC[NH+](CC(=O)NCCC)CC2)CCCC1	ZINC000663663398	678771334	/nfs/dbraw/zinc/77/13/34/678771334.db2.gz	BPIULYKEIBKPIV-UHFFFAOYSA-N	1	1	350.507	2.165	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H]2C[C@H]1CS2	ZINC000669336142	679229990	/nfs/dbraw/zinc/22/99/90/679229990.db2.gz	XBKBSJYCYXEMDF-UGUYLWEFSA-N	1	1	361.515	2.084	20	30		FEEDMO
C#C[C@H](C)[N@@H+](C)Cn1ncc2c1ccc(Br)c2C(=O)OC	ZINC000766665943	680884044	/nfs/dbraw/zinc/88/40/44/680884044.db2.gz	KWBBFHKRMUUGMO-JTQLQIEISA-N	1	1	350.216	2.496	20	30		FEEDMO
C#C[C@H](C)[N@H+](C)Cn1ncc2c1ccc(Br)c2C(=O)OC	ZINC000766665943	680884046	/nfs/dbraw/zinc/88/40/46/680884046.db2.gz	KWBBFHKRMUUGMO-JTQLQIEISA-N	1	1	350.216	2.496	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=S)NCc1ccc(Br)cc1	ZINC000840759141	680841274	/nfs/dbraw/zinc/84/12/74/680841274.db2.gz	VSVWCDXLXDPVOM-UHFFFAOYSA-N	1	1	354.317	2.368	20	30		FEEDMO
CC(=NNCCOCC(F)(F)F)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000765594723	680847733	/nfs/dbraw/zinc/84/77/33/680847733.db2.gz	YLDNGPLZNNESGS-MRXNPFEDSA-N	1	1	359.392	2.432	20	30		FEEDMO
CC(=NNCCOCC(F)(F)F)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000765594723	680847735	/nfs/dbraw/zinc/84/77/35/680847735.db2.gz	YLDNGPLZNNESGS-MRXNPFEDSA-N	1	1	359.392	2.432	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1	ZINC000831170673	679939980	/nfs/dbraw/zinc/93/99/80/679939980.db2.gz	WOLFZAPRRUOZSF-KDOFPFPSSA-N	1	1	351.397	2.332	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@](O)(C(F)F)C2)cc1	ZINC000831170673	679939983	/nfs/dbraw/zinc/93/99/83/679939983.db2.gz	WOLFZAPRRUOZSF-KDOFPFPSSA-N	1	1	351.397	2.332	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)Oc1ccccc1Br	ZINC000748757654	679993553	/nfs/dbraw/zinc/99/35/53/679993553.db2.gz	GVOCMPHHSFEULL-ZFWWWQNUSA-N	1	1	365.271	2.430	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)Oc1ccccc1Br	ZINC000748757654	679993558	/nfs/dbraw/zinc/99/35/58/679993558.db2.gz	GVOCMPHHSFEULL-ZFWWWQNUSA-N	1	1	365.271	2.430	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1	ZINC001015721956	680049613	/nfs/dbraw/zinc/04/96/13/680049613.db2.gz	PMSDHBADWKRUCW-QRVBRYPASA-N	1	1	358.869	2.473	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1	ZINC001015721956	680049616	/nfs/dbraw/zinc/04/96/16/680049616.db2.gz	PMSDHBADWKRUCW-QRVBRYPASA-N	1	1	358.869	2.473	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2cnns2)C1	ZINC001017129920	680069765	/nfs/dbraw/zinc/06/97/65/680069765.db2.gz	IKHCSAJJLZGJLJ-OIISXLGYSA-N	1	1	364.515	2.190	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2cnns2)C1	ZINC001017129920	680069768	/nfs/dbraw/zinc/06/97/68/680069768.db2.gz	IKHCSAJJLZGJLJ-OIISXLGYSA-N	1	1	364.515	2.190	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1	ZINC000992942275	680137987	/nfs/dbraw/zinc/13/79/87/680137987.db2.gz	NNOUPOYDLKZYPT-YZVOILCLSA-N	1	1	367.921	2.024	20	30		FEEDMO
C=C(C)CNC(=S)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000751035847	680150300	/nfs/dbraw/zinc/15/03/00/680150300.db2.gz	APVXHODVCVDWAD-UHFFFAOYSA-N	1	1	360.527	2.256	20	30		FEEDMO
C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]34CCC[C@H]3OCC4)[C@@H]2C1	ZINC000978473129	680176896	/nfs/dbraw/zinc/17/68/96/680176896.db2.gz	SREKQGSTGWEEOI-GAGVYUBLSA-N	1	1	369.303	2.148	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)sc3C)C[C@H]21	ZINC000978720281	680179452	/nfs/dbraw/zinc/17/94/52/680179452.db2.gz	RYUHGRATCTZDSR-JLOCXQCDSA-N	1	1	361.511	2.145	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@@H]2CCCOC2)CC1	ZINC000982134881	680270522	/nfs/dbraw/zinc/27/05/22/680270522.db2.gz	LHTCUYVUYPBKMT-FHWLQOOXSA-N	1	1	350.503	2.319	20	30		FEEDMO
Brc1ccc2ncc(C=NNC3=[NH+][C@@H]4CCCC[C@H]4N3)n2c1	ZINC000753940197	680325477	/nfs/dbraw/zinc/32/54/77/680325477.db2.gz	RZYSUXZREMCAGO-CHWSQXEVSA-N	1	1	361.247	2.291	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnsc2Cl)C1	ZINC001026850510	680350145	/nfs/dbraw/zinc/35/01/45/680350145.db2.gz	XVGYNVWUCSFKTL-BZPMIXESSA-N	1	1	370.906	2.111	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@@](C)(O)c2cccc(C(F)(F)F)c2)CC1	ZINC000754852109	680384347	/nfs/dbraw/zinc/38/43/47/680384347.db2.gz	SPRLZBRDXHQBLD-KRWDZBQOSA-N	1	1	354.372	2.080	20	30		FEEDMO
C[N@@H+](CCCNc1cccc(S(N)(=O)=O)c1C#N)C1CCCCC1	ZINC000754978113	680391248	/nfs/dbraw/zinc/39/12/48/680391248.db2.gz	CZELLMMAJWPWIV-UHFFFAOYSA-N	1	1	350.488	2.272	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nn(C)cc2Cl)C1	ZINC000999182613	680397032	/nfs/dbraw/zinc/39/70/32/680397032.db2.gz	RCKHYULEFMDPJU-VBQJREDUSA-N	1	1	366.893	2.135	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](CCCC2CCOCC2)C1	ZINC001031076959	680404368	/nfs/dbraw/zinc/40/43/68/680404368.db2.gz	DKNQRFLEWGEFQR-OALUTQOASA-N	1	1	350.503	2.365	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC001033095756	680418102	/nfs/dbraw/zinc/41/81/02/680418102.db2.gz	DSRMMEBCMQREER-JCGIZDLHSA-N	1	1	360.527	2.383	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1	ZINC001033498442	680424508	/nfs/dbraw/zinc/42/45/08/680424508.db2.gz	YCGKZCZQYCINDT-ULQDDVLXSA-N	1	1	366.893	2.050	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001033498442	680424511	/nfs/dbraw/zinc/42/45/11/680424511.db2.gz	YCGKZCZQYCINDT-ULQDDVLXSA-N	1	1	366.893	2.050	20	30		FEEDMO
C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1	ZINC001035606177	680450898	/nfs/dbraw/zinc/45/08/98/680450898.db2.gz	BAKUJIOLSIBLTF-CWRNSKLLSA-N	1	1	350.409	2.461	20	30		FEEDMO
C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1	ZINC001035606177	680450902	/nfs/dbraw/zinc/45/09/02/680450902.db2.gz	BAKUJIOLSIBLTF-CWRNSKLLSA-N	1	1	350.409	2.461	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+](Cc3cc(C)ns3)C2)CC1	ZINC001035800802	680452683	/nfs/dbraw/zinc/45/26/83/680452683.db2.gz	MFPXFFRPCTZKHP-SJORKVTESA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C(C)CCNC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000836344612	680454331	/nfs/dbraw/zinc/45/43/31/680454331.db2.gz	FZPDFFSACLMMOX-UHFFFAOYSA-N	1	1	354.495	2.195	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	ZINC000756542381	680484257	/nfs/dbraw/zinc/48/42/57/680484257.db2.gz	IBYKKVLAEPKYSR-YOEHRIQHSA-N	1	1	360.841	2.334	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1	ZINC001041703260	680509196	/nfs/dbraw/zinc/50/91/96/680509196.db2.gz	DWMSLNAMTWIBBW-PNBKFKSVSA-N	1	1	369.303	2.387	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)C1	ZINC001041703260	680509199	/nfs/dbraw/zinc/50/91/99/680509199.db2.gz	DWMSLNAMTWIBBW-PNBKFKSVSA-N	1	1	369.303	2.387	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1	ZINC001004442523	680556338	/nfs/dbraw/zinc/55/63/38/680556338.db2.gz	MWKNAKCCVXAISG-XYPHTWIQSA-N	1	1	367.921	2.357	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3snc(Cl)c3C#N)C2)C1	ZINC001043517067	680585328	/nfs/dbraw/zinc/58/53/28/680585328.db2.gz	JZAMVIMTSPVKQA-NQBHXWOUSA-N	1	1	367.906	2.269	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C2CC2)s1	ZINC001045208764	680624838	/nfs/dbraw/zinc/62/48/38/680624838.db2.gz	KSUNVSFZOZPAJF-ZNMIVQPWSA-N	1	1	362.499	2.087	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cc(Cl)c(OC)c(OC)c2)CC1	ZINC000769020935	680968175	/nfs/dbraw/zinc/96/81/75/680968175.db2.gz	JKLUMFFQBWILOB-UHFFFAOYSA-N	1	1	350.846	2.319	20	30		FEEDMO
C=C(Br)CNC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1	ZINC000844929274	681093758	/nfs/dbraw/zinc/09/37/58/681093758.db2.gz	ONTCTPULJCIUHB-OAHLLOKOSA-N	1	1	352.276	2.463	20	30		FEEDMO
C=C(Br)CNC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1	ZINC000844929274	681093761	/nfs/dbraw/zinc/09/37/61/681093761.db2.gz	ONTCTPULJCIUHB-OAHLLOKOSA-N	1	1	352.276	2.463	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCO1	ZINC000773259392	681133366	/nfs/dbraw/zinc/13/33/66/681133366.db2.gz	MAWYZXKQBGYANA-SZMVWBNQSA-N	1	1	361.511	2.440	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)c3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001057053234	681158449	/nfs/dbraw/zinc/15/84/49/681158449.db2.gz	ZDQBOBSVMUESHY-IJLUTSLNSA-N	1	1	367.906	2.045	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCCN(c3nc(Cl)c(C#N)s3)CC2)CC[N@H+]1C	ZINC001057248200	681159638	/nfs/dbraw/zinc/15/96/38/681159638.db2.gz	BEYLNNWKVDQYHJ-VXGBXAGGSA-N	1	1	367.906	2.047	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](c2ncc(C(=O)OC)s2)C1	ZINC000932663981	681280223	/nfs/dbraw/zinc/28/02/23/681280223.db2.gz	KOMODXJEKGSZHS-KGLIPLIRSA-N	1	1	363.483	2.308	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2ncc(C(=O)OC)s2)C1	ZINC000932663981	681280225	/nfs/dbraw/zinc/28/02/25/681280225.db2.gz	KOMODXJEKGSZHS-KGLIPLIRSA-N	1	1	363.483	2.308	20	30		FEEDMO
C#C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1	ZINC000775805279	681336762	/nfs/dbraw/zinc/33/67/62/681336762.db2.gz	FJFQEAQOUGETQK-DGFSRKRXSA-N	1	1	351.790	2.346	20	30		FEEDMO
C[N@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1(C)C	ZINC000848035371	681465722	/nfs/dbraw/zinc/46/57/22/681465722.db2.gz	SVAGBXNFEDDXDK-CQSZACIVSA-N	1	1	352.479	2.126	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1	ZINC000934263053	681537854	/nfs/dbraw/zinc/53/78/54/681537854.db2.gz	ARBLDAYGQVMBAN-IAGOWNOFSA-N	1	1	364.287	2.352	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1	ZINC000778211933	681585561	/nfs/dbraw/zinc/58/55/61/681585561.db2.gz	QSMPVTAPKFVJPZ-UHFFFAOYSA-N	1	1	360.255	2.282	20	30		FEEDMO
C=CC1(CC(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)CN(C(=O)OC(C)(C)C)C1	ZINC000935190306	681707640	/nfs/dbraw/zinc/70/76/40/681707640.db2.gz	PWWZFKPULRSYLB-HUUCEWRRSA-N	1	1	351.491	2.351	20	30		FEEDMO
C=CC1(CC(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)CN(C(=O)OC(C)(C)C)C1	ZINC000935190304	681707732	/nfs/dbraw/zinc/70/77/32/681707732.db2.gz	PWWZFKPULRSYLB-CABCVRRESA-N	1	1	351.491	2.351	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)Cc1csc(C#N)c1)Cc1ccc(F)cc1	ZINC000914224192	685499641	/nfs/dbraw/zinc/49/96/41/685499641.db2.gz	CYMBTOXCNIWYKE-UHFFFAOYSA-N	1	1	367.471	2.310	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)Cc1csc(C#N)c1)Cc1ccc(F)cc1	ZINC000914224192	685499642	/nfs/dbraw/zinc/49/96/42/685499642.db2.gz	CYMBTOXCNIWYKE-UHFFFAOYSA-N	1	1	367.471	2.310	20	30		FEEDMO
C=CCNS(=O)(=O)c1cccc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)c1	ZINC000914424467	685507678	/nfs/dbraw/zinc/50/76/78/685507678.db2.gz	GOAXWSXXYSCKNX-MRXNPFEDSA-N	1	1	366.483	2.182	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@]23CCC[C@H]2OCC3)s1	ZINC000961037177	682079007	/nfs/dbraw/zinc/07/90/07/682079007.db2.gz	RXPODBVESBNNCG-BCDMZGRMSA-N	1	1	357.479	2.125	20	30		FEEDMO
C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)C1	ZINC000941599945	682137974	/nfs/dbraw/zinc/13/79/74/682137974.db2.gz	NQMOPDMISJYWNE-RBUKOAKNSA-N	1	1	359.901	2.458	20	30		FEEDMO
C#CCOCC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br	ZINC000852337295	682262891	/nfs/dbraw/zinc/26/28/91/682262891.db2.gz	NPNDVXLIXNARKR-MNOVXSKESA-N	1	1	351.082	2.464	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC2CCOCC2)C1	ZINC000972522187	682419158	/nfs/dbraw/zinc/41/91/58/682419158.db2.gz	HTVAKEHNVCDOKK-FHWLQOOXSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=CC[C@H]1CCC[N@@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)C1	ZINC000853536195	682429952	/nfs/dbraw/zinc/42/99/52/682429952.db2.gz	OSBOHGUEVKQGOQ-AWEZNQCLSA-N	1	1	361.467	2.327	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(COc2ccc(Cl)nc2)CC1	ZINC000790094211	682656082	/nfs/dbraw/zinc/65/60/82/682656082.db2.gz	NOHCHAXCPMRWOS-KRWDZBQOSA-N	1	1	361.873	2.450	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(COc2ccc(Cl)nc2)CC1	ZINC000790094211	682656084	/nfs/dbraw/zinc/65/60/84/682656084.db2.gz	NOHCHAXCPMRWOS-KRWDZBQOSA-N	1	1	361.873	2.450	20	30		FEEDMO
C=CC[C@]1(C(=O)N2CCC[N@H+](C)CC2)CCCN1C(=O)OC(C)(C)C	ZINC000790110058	682656394	/nfs/dbraw/zinc/65/63/94/682656394.db2.gz	CPNDHZTVTJWKTB-LJQANCHMSA-N	1	1	351.491	2.496	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNc2cc(Br)cnc2C#N)C1	ZINC000791409027	682741472	/nfs/dbraw/zinc/74/14/72/682741472.db2.gz	CENLJAHBRJVDKE-ZDUSSCGKSA-N	1	1	353.264	2.484	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cn1nc(CC#N)n(C)c1=S	ZINC000794628559	682985073	/nfs/dbraw/zinc/98/50/73/682985073.db2.gz	NPPWNLGLYADMNK-OAHLLOKOSA-N	1	1	356.499	2.181	20	30		FEEDMO
C[C@H](c1ccsc1)[NH+]1CCN(Cn2nc(CC#N)n(C)c2=S)CC1	ZINC000794640438	682986348	/nfs/dbraw/zinc/98/63/48/682986348.db2.gz	QRJBVEFPYZONKT-CYBMUJFWSA-N	1	1	362.528	2.415	20	30		FEEDMO
CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3sccc3CC#N)C2)[C@@H]1C(C)C	ZINC000926264254	683101029	/nfs/dbraw/zinc/10/10/29/683101029.db2.gz	FLGGUFHUHVEJNB-IIHSZXCVSA-N	1	1	361.511	2.414	20	30		FEEDMO
N#CCSCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F	ZINC000860050517	683195002	/nfs/dbraw/zinc/19/50/02/683195002.db2.gz	XADHWWDKYZPUBD-DGAVXFQQSA-N	1	1	361.433	2.364	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1	ZINC000928092770	683381619	/nfs/dbraw/zinc/38/16/19/683381619.db2.gz	JNBRYXDOOVBAPB-DLBZAZTESA-N	1	1	361.536	2.487	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1	ZINC000928092770	683381625	/nfs/dbraw/zinc/38/16/25/683381625.db2.gz	JNBRYXDOOVBAPB-DLBZAZTESA-N	1	1	361.536	2.487	20	30		FEEDMO
C[NH+]1CCN([C@@H](C/N=C\c2ccc(O)c(O)c2O)c2cccs2)CC1	ZINC000920943708	683382518	/nfs/dbraw/zinc/38/25/18/683382518.db2.gz	FANCACJDWKPRGW-KVMVOAJRSA-N	1	1	361.467	2.273	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@H+]1C	ZINC000928428056	683449224	/nfs/dbraw/zinc/44/92/24/683449224.db2.gz	MCUROOAYVXOUMJ-QLFBSQMISA-N	1	1	352.479	2.172	20	30		FEEDMO
CC(=NNCCC[NH+]1CCOCC1)c1ncc(Br)cc1F	ZINC000799489623	683460208	/nfs/dbraw/zinc/46/02/08/683460208.db2.gz	YHTNYGVMAZEMHM-UHFFFAOYSA-N	1	1	359.243	2.019	20	30		FEEDMO
FC(F)(F)c1cnc2c(c1)C(=NNCCC[NH+]1CCOCC1)CCC2	ZINC000799488936	683460407	/nfs/dbraw/zinc/46/04/07/683460407.db2.gz	MZCBDJOWPNFIOT-UHFFFAOYSA-N	1	1	356.392	2.453	20	30		FEEDMO
N#Cc1ccc(Br)c(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1	ZINC000921691515	683544499	/nfs/dbraw/zinc/54/44/99/683544499.db2.gz	YWVMXUJXSZRPKP-GJZGRUSLSA-N	1	1	350.260	2.274	20	30		FEEDMO
C[N@H+]1CCN(CC[NH2+]Cc2cc(C#N)ccc2Br)CC1(C)C	ZINC000922096953	683658444	/nfs/dbraw/zinc/65/84/44/683658444.db2.gz	ATOLOLNMLRAALY-UHFFFAOYSA-N	1	1	365.319	2.436	20	30		FEEDMO
C[N@@H+]1CCN(CCNCc2cc(C#N)ccc2Br)CC1(C)C	ZINC000922096953	683658448	/nfs/dbraw/zinc/65/84/48/683658448.db2.gz	ATOLOLNMLRAALY-UHFFFAOYSA-N	1	1	365.319	2.436	20	30		FEEDMO
C[N@H+]1CCN(CCNCc2cc(C#N)ccc2Br)CC1(C)C	ZINC000922096953	683658450	/nfs/dbraw/zinc/65/84/50/683658450.db2.gz	ATOLOLNMLRAALY-UHFFFAOYSA-N	1	1	365.319	2.436	20	30		FEEDMO
CC(C)(O)C[N@H+]1CC[C@H](NCc2cc(C#N)ccc2Br)C1	ZINC000922298580	683694910	/nfs/dbraw/zinc/69/49/10/683694910.db2.gz	JAQDKORFSUCUPJ-AWEZNQCLSA-N	1	1	352.276	2.256	20	30		FEEDMO
CC(C)(O)CN1CC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)C1	ZINC000922298580	683694912	/nfs/dbraw/zinc/69/49/12/683694912.db2.gz	JAQDKORFSUCUPJ-AWEZNQCLSA-N	1	1	352.276	2.256	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1cc(F)cc(C#N)c1	ZINC000867267093	684235309	/nfs/dbraw/zinc/23/53/09/684235309.db2.gz	FSEWVXGJQATLKK-UHFFFAOYSA-N	1	1	365.430	2.433	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2sc(CC(F)(F)F)nc2C)C1	ZINC000923595122	684310897	/nfs/dbraw/zinc/31/08/97/684310897.db2.gz	GUYGMHZFLKOBLV-GFCCVEGCSA-N	1	1	359.417	2.313	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2sc(CC(F)(F)F)nc2C)C1	ZINC000923595122	684310899	/nfs/dbraw/zinc/31/08/99/684310899.db2.gz	GUYGMHZFLKOBLV-GFCCVEGCSA-N	1	1	359.417	2.313	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(C(C)C)c2Br)C1	ZINC000923599249	684311756	/nfs/dbraw/zinc/31/17/56/684311756.db2.gz	SLZZULSWSYQKNF-LBPRGKRZSA-N	1	1	353.264	2.054	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(C(C)C)c2Br)C1	ZINC000923599249	684311758	/nfs/dbraw/zinc/31/17/58/684311758.db2.gz	SLZZULSWSYQKNF-LBPRGKRZSA-N	1	1	353.264	2.054	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC[C@@H]21	ZINC000867812932	684397448	/nfs/dbraw/zinc/39/74/48/684397448.db2.gz	OEIAVHAOZLFXNT-WFASDCNBSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[C@@H](Nc1cc2n(n1)CC[N@@H+](C)C2)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000871929264	684884281	/nfs/dbraw/zinc/88/42/81/684884281.db2.gz	VZWHAHIBVLJHJA-LLVKDONJSA-N	1	1	358.833	2.293	20	30		FEEDMO
CCC(CCC(F)(F)F)=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000872330992	684937535	/nfs/dbraw/zinc/93/75/35/684937535.db2.gz	YUSFATAZRACNFR-UHFFFAOYSA-N	1	1	354.442	2.281	20	30		FEEDMO
CCn1c(=O)c2ccccc2nc1N=NC1CCC[N@H+]2CCSC[C@H]12	ZINC000872337605	684937718	/nfs/dbraw/zinc/93/77/18/684937718.db2.gz	DDDAFLNUTLOQOX-MRXNPFEDSA-N	1	1	357.483	2.396	20	30		FEEDMO
N#CCCCOc1cccc(C[NH+]2CC(CNC(=O)C(F)(F)F)C2)c1	ZINC000877776790	686453760	/nfs/dbraw/zinc/45/37/60/686453760.db2.gz	AAQDDWQDNITMGV-UHFFFAOYSA-N	1	1	355.360	2.479	20	30		FEEDMO
C#CCCCCC[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1	ZINC000878217125	686543733	/nfs/dbraw/zinc/54/37/33/686543733.db2.gz	YNURGFMOOKUHIU-UHFFFAOYSA-N	1	1	360.483	2.063	20	30		FEEDMO
CC(C)(O)C[C@@H](O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000878536469	686604147	/nfs/dbraw/zinc/60/41/47/686604147.db2.gz	XPPZQPYYOLKXKV-SJORKVTESA-N	1	1	351.878	2.044	20	30		FEEDMO
NC(=O)[C@@H](F)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000879041491	686721747	/nfs/dbraw/zinc/72/17/47/686721747.db2.gz	GJZTWQRRLWOPBS-HNNXBMFYSA-N	1	1	358.335	2.472	20	30		FEEDMO
C#CC[C@H](CO)NC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1	ZINC000880093341	686997193	/nfs/dbraw/zinc/99/71/93/686997193.db2.gz	SIHDTEPMDWZCKT-CYBMUJFWSA-N	1	1	358.467	2.396	20	30		FEEDMO
C[N@@H+](CC(=O)NCCC#N)C1(CNC(=O)OC(C)(C)C)CCCCC1	ZINC000880346218	687038838	/nfs/dbraw/zinc/03/88/38/687038838.db2.gz	MHYBBPLIEQVKGN-UHFFFAOYSA-N	1	1	352.479	2.176	20	30		FEEDMO
C#CCC1(O)CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1	ZINC000880480780	687052960	/nfs/dbraw/zinc/05/29/60/687052960.db2.gz	GHIDZZQZRYFFRQ-MRXNPFEDSA-N	1	1	350.821	2.435	20	30		FEEDMO
CC(C)C[C@@H](C(N)=O)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000880591097	687064673	/nfs/dbraw/zinc/06/46/73/687064673.db2.gz	XOBMUQCHXXCLKB-AWEZNQCLSA-N	1	1	362.499	2.269	20	30		FEEDMO
C#CC[C@H](CO)[NH2+]Cc1c(F)ccc(I)c1F	ZINC000883124877	687572869	/nfs/dbraw/zinc/57/28/69/687572869.db2.gz	SGMLPCWNTZXACZ-MRVPVSSYSA-N	1	1	351.134	2.043	20	30		FEEDMO
C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(Br)c(C#N)c1	ZINC000887995120	688532725	/nfs/dbraw/zinc/53/27/25/688532725.db2.gz	YUIXRWMCBMGOHM-NSHDSACASA-N	1	1	352.232	2.228	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCSC[C@@H]2c2nccs2)C1	ZINC000890366705	688911114	/nfs/dbraw/zinc/91/11/14/688911114.db2.gz	CIGLNNTUHUTJTR-ZIAGYGMSSA-N	1	1	350.513	2.040	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCSC[C@@H]2c2nccs2)C1	ZINC000890366705	688911117	/nfs/dbraw/zinc/91/11/17/688911117.db2.gz	CIGLNNTUHUTJTR-ZIAGYGMSSA-N	1	1	350.513	2.040	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCOC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCO1	ZINC000893384894	689340286	/nfs/dbraw/zinc/34/02/86/689340286.db2.gz	AYZSHUVVPSTJKZ-LLVKDONJSA-N	1	1	357.332	2.240	20	30		FEEDMO
CCOc1cc(C[NH2+][C@@H]2CCCN(O)C2=O)cc(Br)c1O	ZINC000895157990	689669369	/nfs/dbraw/zinc/66/93/69/689669369.db2.gz	GUBMFHRNRVQSNA-LLVKDONJSA-N	1	1	359.220	2.023	20	30		FEEDMO
C[C@H](CNC(=O)N(C)Cc1cc(C#N)cs1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000895606286	689743506	/nfs/dbraw/zinc/74/35/06/689743506.db2.gz	PLEWBUQIVSUSSU-MCIONIFRSA-N	1	1	350.488	2.259	20	30		FEEDMO
C[C@H](CNC(=O)N(C)Cc1cc(C#N)cs1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000895606286	689743507	/nfs/dbraw/zinc/74/35/07/689743507.db2.gz	PLEWBUQIVSUSSU-MCIONIFRSA-N	1	1	350.488	2.259	20	30		FEEDMO
N#Cc1cc(F)c(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Br	ZINC000897218491	689989571	/nfs/dbraw/zinc/98/95/71/689989571.db2.gz	DICAWGLXNVRFFC-CABCVRRESA-N	1	1	368.250	2.495	20	30		FEEDMO
N#Cc1cc(F)c(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1Br	ZINC000897218493	689989588	/nfs/dbraw/zinc/98/95/88/689989588.db2.gz	DICAWGLXNVRFFC-HUUCEWRRSA-N	1	1	368.250	2.495	20	30		FEEDMO
C[C@@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)[C@H]1C[N@@H+](C)CCN1C	ZINC000900801171	690563993	/nfs/dbraw/zinc/56/39/93/690563993.db2.gz	BJENEGDEFYUZII-QMTHXVAHSA-N	1	1	355.269	2.229	20	30		FEEDMO
C=CCCC[N@H+](CC)Cn1c2ccc(S(=O)(=O)N(C)C)cc2oc1=O	ZINC000902668440	690795757	/nfs/dbraw/zinc/79/57/57/690795757.db2.gz	ARBJIUUGEHJFRM-UHFFFAOYSA-N	1	1	367.471	2.090	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cn(C)nc2C2CCCC2)CC1	ZINC000906924981	691344996	/nfs/dbraw/zinc/34/49/96/691344996.db2.gz	HXUCXLUVXKXXHL-UHFFFAOYSA-N	1	1	352.504	2.006	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CSc1nccn1Cc1ccccc1	ZINC000908436851	691679029	/nfs/dbraw/zinc/67/90/29/691679029.db2.gz	XQCFILVHAWHALF-UHFFFAOYSA-N	1	1	356.495	2.095	20	30		FEEDMO
C#C[C@@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccc(Br)cc1	ZINC000908516397	691692445	/nfs/dbraw/zinc/69/24/45/691692445.db2.gz	IELVHSFCGWCDLF-NVXWUHKLSA-N	1	1	365.271	2.086	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(Cl)nc1C#N)C2	ZINC001164812744	720085897	/nfs/dbraw/zinc/08/58/97/720085897.db2.gz	ROASWTDHFIDTJJ-KSSFIOAISA-N	1	1	361.877	2.186	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(OC)c(C#N)cc1F)C2	ZINC001164814386	720157999	/nfs/dbraw/zinc/15/79/99/720157999.db2.gz	FYRNBHCHXHZGGE-OXJNMPFZSA-N	1	1	374.460	2.286	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(OC)c(C#N)cc1F)C2	ZINC001164814390	720158790	/nfs/dbraw/zinc/15/87/90/720158790.db2.gz	FYRNBHCHXHZGGE-UZLBHIALSA-N	1	1	374.460	2.286	20	30		FEEDMO
N#Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1	ZINC001164725996	720380217	/nfs/dbraw/zinc/38/02/17/720380217.db2.gz	OIQILEPZNHGSLZ-JKSUJKDBSA-N	1	1	350.382	2.110	20	30		FEEDMO
COc1nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c(F)cc1C#N	ZINC001164732872	720428676	/nfs/dbraw/zinc/42/86/76/720428676.db2.gz	OTPPMUFDCIYNOC-IAGOWNOFSA-N	1	1	353.401	2.349	20	30		FEEDMO
Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)cc1C#N	ZINC001164743548	720803773	/nfs/dbraw/zinc/80/37/73/720803773.db2.gz	GUAWFLZFJPTIGE-GJZGRUSLSA-N	1	1	370.844	2.047	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(C#N)ccc1[N+](=O)[O-])[C@H]2C	ZINC001164856131	720958729	/nfs/dbraw/zinc/95/87/29/720958729.db2.gz	ASSFXOTYKVCCOU-ZDUSSCGKSA-N	1	1	369.429	2.479	20	30		FEEDMO
N#Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164867942	721039806	/nfs/dbraw/zinc/03/98/06/721039806.db2.gz	LDJSIMYTKWMVNQ-DLBZAZTESA-N	1	1	369.856	2.481	20	30		FEEDMO
Cc1cc(C#N)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1C	ZINC001164865963	721075631	/nfs/dbraw/zinc/07/56/31/721075631.db2.gz	QLFJPBSOLTZPTQ-UXHICEINSA-N	1	1	363.465	2.445	20	30		FEEDMO
N#Cc1cc(Cl)cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164865715	721076774	/nfs/dbraw/zinc/07/67/74/721076774.db2.gz	OUXJGDNWONJHOG-QZTJIDSGSA-N	1	1	369.856	2.481	20	30		FEEDMO
Cc1cc(C#N)c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)nc1C	ZINC001164764242	721112248	/nfs/dbraw/zinc/11/22/48/721112248.db2.gz	HLRLWWOUKOROGR-MJGOQNOKSA-N	1	1	350.470	2.262	20	30		FEEDMO
Cc1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C#N	ZINC001164884473	721387661	/nfs/dbraw/zinc/38/76/61/721387661.db2.gz	BEQTWEOWAPSUSM-GHTZIAJQSA-N	1	1	369.513	2.027	20	30		FEEDMO
Cc1ccc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1C#N	ZINC001164883566	721407486	/nfs/dbraw/zinc/40/74/86/721407486.db2.gz	AWIJFFUCFUJLJQ-WIYYLYMNSA-N	1	1	369.513	2.027	20	30		FEEDMO
CSc1nc(Cl)c(C#N)c(N2CC[NH+](C[C@H]3CCCO3)CC2)n1	ZINC001165039726	721900786	/nfs/dbraw/zinc/90/07/86/721900786.db2.gz	ZGFFRSGSIJNWTK-LLVKDONJSA-N	1	1	353.879	2.025	20	30		FEEDMO
C[C@H](NC(=O)CNc1ccc(C#N)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000490834398	887340202	/nfs/dbraw/zinc/34/02/02/887340202.db2.gz	MLSRXPMRKGVGKW-LPHOPBHVSA-N	1	1	363.465	2.392	20	30		FEEDMO
C=C[C@@H](C(=O)OC)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000800329063	674042793	/nfs/dbraw/zinc/04/27/93/674042793.db2.gz	ZTTOCXRBNUPZLA-HNNXBMFYSA-N	1	1	358.360	2.430	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)F)c(OC)c1	ZINC000024371743	539730187	/nfs/dbraw/zinc/73/01/87/539730187.db2.gz	YQBWOLDMBXYSMZ-LLVKDONJSA-N	1	1	371.384	2.129	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1	ZINC000024371743	539730188	/nfs/dbraw/zinc/73/01/88/539730188.db2.gz	YQBWOLDMBXYSMZ-LLVKDONJSA-N	1	1	371.384	2.129	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)NC(C)(C)C	ZINC000028900311	539839121	/nfs/dbraw/zinc/83/91/21/539839121.db2.gz	ZFUSKFVZXBWRCH-UHFFFAOYSA-N	1	1	362.499	2.284	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)[NH+]1CCOCC1	ZINC000029783440	539864695	/nfs/dbraw/zinc/86/46/95/539864695.db2.gz	XEIHSADVPYOHRJ-SJLPKXTDSA-N	1	1	359.470	2.189	20	30		FEEDMO
CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000029927122	539869159	/nfs/dbraw/zinc/86/91/59/539869159.db2.gz	LARVDDUGIQYFHI-MRXNPFEDSA-N	1	1	362.518	2.346	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[NH+](CCOc2ccccc2)CC1	ZINC000032512205	539942653	/nfs/dbraw/zinc/94/26/53/539942653.db2.gz	DAYDXWYQMGJIIL-NQIIRXRSSA-N	1	1	372.513	2.126	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](CCOc2ccccc2)CC1	ZINC000042384989	540062298	/nfs/dbraw/zinc/06/22/98/540062298.db2.gz	RQMAPWFWZHRNHG-LJQANCHMSA-N	1	1	359.514	2.496	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccc(C#N)cc1	ZINC000046527943	540260841	/nfs/dbraw/zinc/26/08/41/540260841.db2.gz	IFWSQYKZPCXDSK-UHFFFAOYSA-N	1	1	366.440	2.478	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccc(C#N)cc1	ZINC000046527943	540260845	/nfs/dbraw/zinc/26/08/45/540260845.db2.gz	IFWSQYKZPCXDSK-UHFFFAOYSA-N	1	1	366.440	2.478	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000048767772	540373040	/nfs/dbraw/zinc/37/30/40/540373040.db2.gz	DZGCPSQBDNTCMK-INIZCTEOSA-N	1	1	352.394	2.043	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000051056713	540421022	/nfs/dbraw/zinc/42/10/22/540421022.db2.gz	INLXUMQGJDUEEJ-DLBZAZTESA-N	1	1	362.518	2.346	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000051056713	540421024	/nfs/dbraw/zinc/42/10/24/540421024.db2.gz	INLXUMQGJDUEEJ-DLBZAZTESA-N	1	1	362.518	2.346	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1	ZINC000051098108	540422294	/nfs/dbraw/zinc/42/22/94/540422294.db2.gz	CCQQKXGKQCEKDE-UHFFFAOYSA-N	1	1	362.499	2.013	20	30		FEEDMO
CCCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000051801443	540445117	/nfs/dbraw/zinc/44/51/17/540445117.db2.gz	KUPCLHLFNZRQGH-JXFKEZNVSA-N	1	1	364.534	2.448	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](C2OCCO2)C1	ZINC000076294529	542256205	/nfs/dbraw/zinc/25/62/05/542256205.db2.gz	LYJGNKQLCDXLQQ-IRXDYDNUSA-N	1	1	357.454	2.407	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1cccs1)C[C@@H]1CCCO1	ZINC000053133942	540512518	/nfs/dbraw/zinc/51/25/18/540512518.db2.gz	YILSOQCABGJZJC-INIZCTEOSA-N	1	1	360.483	2.385	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1	ZINC000053133942	540512522	/nfs/dbraw/zinc/51/25/22/540512522.db2.gz	YILSOQCABGJZJC-INIZCTEOSA-N	1	1	360.483	2.385	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1	ZINC000054990813	540620305	/nfs/dbraw/zinc/62/03/05/540620305.db2.gz	XLVZGOXLCKXNBY-LJQANCHMSA-N	1	1	354.454	2.324	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1)C[C@H]1CCCO1	ZINC000054990813	540620310	/nfs/dbraw/zinc/62/03/10/540620310.db2.gz	XLVZGOXLCKXNBY-LJQANCHMSA-N	1	1	354.454	2.324	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(Cc3nnc4n3CCCCC4)CC2)cc1	ZINC000055528147	540657048	/nfs/dbraw/zinc/65/70/48/540657048.db2.gz	AEUTWMFIJGKNQR-UHFFFAOYSA-N	1	1	350.470	2.194	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(=O)NC2CC2)CC1	ZINC000055913539	540686691	/nfs/dbraw/zinc/68/66/91/540686691.db2.gz	GRJRNAFIMUPVCQ-MRXNPFEDSA-N	1	1	368.481	2.312	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)Nc3ccccc3)CC2)cc1	ZINC000056291447	540716368	/nfs/dbraw/zinc/71/63/68/540716368.db2.gz	TVSOYSZCCKYYSS-UHFFFAOYSA-N	1	1	362.433	2.231	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)Nc3ccccc3)CC2)cc1	ZINC000056291447	540716371	/nfs/dbraw/zinc/71/63/71/540716371.db2.gz	TVSOYSZCCKYYSS-UHFFFAOYSA-N	1	1	362.433	2.231	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000058918729	540860092	/nfs/dbraw/zinc/86/00/92/540860092.db2.gz	BXVCTVKOKHLVSL-JXFKEZNVSA-N	1	1	372.517	2.238	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000058918729	540860095	/nfs/dbraw/zinc/86/00/95/540860095.db2.gz	BXVCTVKOKHLVSL-JXFKEZNVSA-N	1	1	372.517	2.238	20	30		FEEDMO
CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064633474	541213031	/nfs/dbraw/zinc/21/30/31/541213031.db2.gz	HJWDXTAEESKVBE-LJQANCHMSA-N	1	1	363.465	2.295	20	30		FEEDMO
CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064633474	541213033	/nfs/dbraw/zinc/21/30/33/541213033.db2.gz	HJWDXTAEESKVBE-LJQANCHMSA-N	1	1	363.465	2.295	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2nnc3ccccn32)CC1	ZINC000067443424	541465330	/nfs/dbraw/zinc/46/53/30/541465330.db2.gz	XJPAGIIUYMXNCS-MGPUTAFESA-N	1	1	368.485	2.352	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1	ZINC000067524875	541474942	/nfs/dbraw/zinc/47/49/42/541474942.db2.gz	KUKKPRQCOUKDNZ-HNNXBMFYSA-N	1	1	357.454	2.181	20	30		FEEDMO
N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)n1	ZINC000542839462	541484346	/nfs/dbraw/zinc/48/43/46/541484346.db2.gz	NJENSUFQMVUYOS-UHFFFAOYSA-N	1	1	354.389	2.195	20	30		FEEDMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000067781836	541512890	/nfs/dbraw/zinc/51/28/90/541512890.db2.gz	IOFFOUAJFGVGRF-INIZCTEOSA-N	1	1	372.469	2.154	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)CC1	ZINC000068444284	541593599	/nfs/dbraw/zinc/59/35/99/541593599.db2.gz	KPVONLAJBKFICK-UHFFFAOYSA-N	1	1	370.428	2.284	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1	ZINC000068444884	541593724	/nfs/dbraw/zinc/59/37/24/541593724.db2.gz	FBXMNQWJFZLNET-HXUWFJFHSA-N	1	1	367.493	2.015	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)COc2ccccc2C#N)C[C@H](C)O1	ZINC000070903114	541750581	/nfs/dbraw/zinc/75/05/81/541750581.db2.gz	BKKDXCWURLDNGG-JZXOWHBKSA-N	1	1	357.454	2.037	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)COc2ccccc2C#N)C[C@H](C)O1	ZINC000070903114	541750586	/nfs/dbraw/zinc/75/05/86/541750586.db2.gz	BKKDXCWURLDNGG-JZXOWHBKSA-N	1	1	357.454	2.037	20	30		FEEDMO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1	ZINC000071108728	541764180	/nfs/dbraw/zinc/76/41/80/541764180.db2.gz	MFTAXPGXNNZIPK-ZWKOTPCHSA-N	1	1	370.453	2.051	20	30		FEEDMO
C[C@@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(=O)NC1(C#N)CCCCC1	ZINC000073412681	541950500	/nfs/dbraw/zinc/95/05/00/541950500.db2.gz	YVBIZVMANNXVLD-OAHLLOKOSA-N	1	1	371.485	2.330	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1	ZINC000074311536	542067581	/nfs/dbraw/zinc/06/75/81/542067581.db2.gz	LBLTZYWNBLPHMY-GHTZIAJQSA-N	1	1	352.434	2.280	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000074655352	542106961	/nfs/dbraw/zinc/10/69/61/542106961.db2.gz	TUPVVEGXVWVSBY-MRXNPFEDSA-N	1	1	350.532	2.329	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC3(CNC(=O)C3)CC2)c1	ZINC000075014414	542145723	/nfs/dbraw/zinc/14/57/23/542145723.db2.gz	VNZZZNYTGZYNOO-UHFFFAOYSA-N	1	1	368.481	2.152	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)o2)c1	ZINC000075638463	542195101	/nfs/dbraw/zinc/19/51/01/542195101.db2.gz	BEVVBBYXDNKWIS-QGZVFWFLSA-N	1	1	365.437	2.346	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)o2)c1	ZINC000075638463	542195103	/nfs/dbraw/zinc/19/51/03/542195103.db2.gz	BEVVBBYXDNKWIS-QGZVFWFLSA-N	1	1	365.437	2.346	20	30		FEEDMO
C=CCCC[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000076736782	542319618	/nfs/dbraw/zinc/31/96/18/542319618.db2.gz	UAAKUZKENKTRQR-UHFFFAOYSA-N	1	1	365.499	2.308	20	30		FEEDMO
C[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)[NH+]1CCN(c2ccccc2)CC1	ZINC000076744586	542320587	/nfs/dbraw/zinc/32/05/87/542320587.db2.gz	KHWNMSAMXRBCTD-HNNXBMFYSA-N	1	1	366.425	2.484	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH+]1CCC(CCN2CCOCC2)CC1	ZINC000077273291	542360494	/nfs/dbraw/zinc/36/04/94/542360494.db2.gz	OORRFFNGTWRFJR-UHFFFAOYSA-N	1	1	373.497	2.380	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000077286572	542361593	/nfs/dbraw/zinc/36/15/93/542361593.db2.gz	KQFHGJFVBLVAKN-SFHVURJKSA-N	1	1	359.470	2.132	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC1CCN(CC#N)CC1	ZINC000077567492	542398448	/nfs/dbraw/zinc/39/84/48/542398448.db2.gz	YTBYWJLRLNUVJR-SFHVURJKSA-N	1	1	369.513	2.280	20	30		FEEDMO
C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1	ZINC000077817564	542423564	/nfs/dbraw/zinc/42/35/64/542423564.db2.gz	YEDLSKYABGSNBE-LJQANCHMSA-N	1	1	361.445	2.093	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1	ZINC000079303682	542511990	/nfs/dbraw/zinc/51/19/90/542511990.db2.gz	LHHKGTVHQRNXOF-SJORKVTESA-N	1	1	372.513	2.408	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1	ZINC000079303682	542511993	/nfs/dbraw/zinc/51/19/93/542511993.db2.gz	LHHKGTVHQRNXOF-SJORKVTESA-N	1	1	372.513	2.408	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000156200606	545607898	/nfs/dbraw/zinc/60/78/98/545607898.db2.gz	LYGGVXBZRNQJTC-CYBMUJFWSA-N	1	1	366.443	2.009	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](OCCCc2ccccc2)C1	ZINC000079503392	542523698	/nfs/dbraw/zinc/52/36/98/542523698.db2.gz	JRQQFSXLHZLUNI-WMZOPIPTSA-N	1	1	359.470	2.110	20	30		FEEDMO
C=CCOCCCC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000079862166	542545826	/nfs/dbraw/zinc/54/58/26/542545826.db2.gz	FTYPBEANDQYLMI-QGZVFWFLSA-N	1	1	359.470	2.305	20	30		FEEDMO
N#Cc1cccc(C2([NH2+]CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1	ZINC000551713423	674159428	/nfs/dbraw/zinc/15/94/28/674159428.db2.gz	ZWLWLSXFZDOAHQ-UHFFFAOYSA-N	1	1	351.431	2.483	20	30		FEEDMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N(C)[C@@H](C)CC#N)cc2)CC1	ZINC000086303028	542735980	/nfs/dbraw/zinc/73/59/80/542735980.db2.gz	YWIDFPFUCBBZFM-INIZCTEOSA-N	1	1	371.485	2.159	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)C3(C#N)CCCC3)C2)cc(OC)c1	ZINC000087503632	542746744	/nfs/dbraw/zinc/74/67/44/542746744.db2.gz	SJBHCXAHFPUESH-INIZCTEOSA-N	1	1	357.454	2.478	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)C3(C#N)CCCC3)C2)cc(OC)c1	ZINC000087503632	542746747	/nfs/dbraw/zinc/74/67/47/542746747.db2.gz	SJBHCXAHFPUESH-INIZCTEOSA-N	1	1	357.454	2.478	20	30		FEEDMO
C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1	ZINC000088758016	542756628	/nfs/dbraw/zinc/75/66/28/542756628.db2.gz	TUBALYKMISZHET-MRXNPFEDSA-N	1	1	363.465	2.239	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)O)C1	ZINC000089931533	542775168	/nfs/dbraw/zinc/77/51/68/542775168.db2.gz	NMPODYQEPUJJPK-YESZJQIVSA-N	1	1	359.470	2.423	20	30		FEEDMO
CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1cccc(F)c1	ZINC000091536967	542811925	/nfs/dbraw/zinc/81/19/25/542811925.db2.gz	LNBYRWMPWQVPMQ-LJQANCHMSA-N	1	1	360.477	2.340	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1cccc(F)c1	ZINC000091536967	542811928	/nfs/dbraw/zinc/81/19/28/542811928.db2.gz	LNBYRWMPWQVPMQ-LJQANCHMSA-N	1	1	360.477	2.340	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(OCc2ccc(F)cc2)CC1	ZINC000091888816	542829895	/nfs/dbraw/zinc/82/98/95/542829895.db2.gz	XXFVVRVDYQRWCH-UHFFFAOYSA-N	1	1	372.444	2.463	20	30		FEEDMO
CCOc1cccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1O	ZINC000091936667	542833293	/nfs/dbraw/zinc/83/32/93/542833293.db2.gz	UMANLPCNMLHNNA-AWEZNQCLSA-N	1	1	353.426	2.163	20	30		FEEDMO
CC[C@@](C)([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1nccs1	ZINC000092643088	542876379	/nfs/dbraw/zinc/87/63/79/542876379.db2.gz	YOYVQAJSIXLULR-CRAIPNDOSA-N	1	1	363.531	2.050	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cccc(OCCCC#N)c2)CC1	ZINC000093821056	542942787	/nfs/dbraw/zinc/94/27/87/542942787.db2.gz	LZZKMZUSVADJAG-HXUWFJFHSA-N	1	1	370.497	2.108	20	30		FEEDMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccc(OCCCC#N)c2)CC1	ZINC000093821057	542942815	/nfs/dbraw/zinc/94/28/15/542942815.db2.gz	LZZKMZUSVADJAG-FQEVSTJZSA-N	1	1	370.497	2.108	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CC[NH+](CCN(C)C)CC1	ZINC000097178334	543006798	/nfs/dbraw/zinc/00/67/98/543006798.db2.gz	RDXBHSNLWOYBLH-UHFFFAOYSA-N	1	1	373.501	2.493	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)n1	ZINC000106181789	543214235	/nfs/dbraw/zinc/21/42/35/543214235.db2.gz	ROKAAHADCVGOJA-YJLNNSPDSA-N	1	1	360.506	2.050	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1Cl	ZINC000106786627	543246774	/nfs/dbraw/zinc/24/67/74/543246774.db2.gz	OJRHOSRIYQVHFA-CQSZACIVSA-N	1	1	360.845	2.283	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(C#N)cn3)c2)CCO1	ZINC000107569205	543272914	/nfs/dbraw/zinc/27/29/14/543272914.db2.gz	PBQGXEMNQJIKRQ-OAHLLOKOSA-N	1	1	350.422	2.104	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(C#N)cn3)c2)CCO1	ZINC000107569205	543272916	/nfs/dbraw/zinc/27/29/16/543272916.db2.gz	PBQGXEMNQJIKRQ-OAHLLOKOSA-N	1	1	350.422	2.104	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1	ZINC000108406662	543289492	/nfs/dbraw/zinc/28/94/92/543289492.db2.gz	LPLFLFMPNLGVFF-GFCCVEGCSA-N	1	1	361.389	2.197	20	30		FEEDMO
C=CCN(CC=C)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000108579007	543295378	/nfs/dbraw/zinc/29/53/78/543295378.db2.gz	QRGVXBGVNGHRTN-IBGZPJMESA-N	1	1	370.497	2.268	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000111267320	543390846	/nfs/dbraw/zinc/39/08/46/543390846.db2.gz	GSDPJQVVGBUSLC-ZDUSSCGKSA-N	1	1	374.510	2.285	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)[N@@H+](C)Cc1ccccc1	ZINC000111348321	543397997	/nfs/dbraw/zinc/39/79/97/543397997.db2.gz	ARJICARJCSZSGB-AWEZNQCLSA-N	1	1	361.442	2.496	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000111633578	543409796	/nfs/dbraw/zinc/40/97/96/543409796.db2.gz	FFVZYCGXQDJEGP-MRXNPFEDSA-N	1	1	370.497	2.305	20	30		FEEDMO
CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000111633580	543409821	/nfs/dbraw/zinc/40/98/21/543409821.db2.gz	FFVZYCGXQDJEGP-INIZCTEOSA-N	1	1	370.497	2.305	20	30		FEEDMO
COC[C@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000112987784	543470946	/nfs/dbraw/zinc/47/09/46/543470946.db2.gz	JZCQDGBIOPSJBL-HNNXBMFYSA-N	1	1	353.426	2.041	20	30		FEEDMO
COC[C@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000112987784	543470947	/nfs/dbraw/zinc/47/09/47/543470947.db2.gz	JZCQDGBIOPSJBL-HNNXBMFYSA-N	1	1	353.426	2.041	20	30		FEEDMO
CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)CS(=O)(=O)CC	ZINC000113001190	543472414	/nfs/dbraw/zinc/47/24/14/543472414.db2.gz	MJULIPSLBQCHJV-AWEZNQCLSA-N	1	1	351.472	2.032	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)CS(=O)(=O)CC	ZINC000113001190	543472416	/nfs/dbraw/zinc/47/24/16/543472416.db2.gz	MJULIPSLBQCHJV-AWEZNQCLSA-N	1	1	351.472	2.032	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1	ZINC000114843290	543540257	/nfs/dbraw/zinc/54/02/57/543540257.db2.gz	CMQAHNPWQCXLLW-LJQANCHMSA-N	1	1	362.433	2.278	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C	ZINC000118104035	543645059	/nfs/dbraw/zinc/64/50/59/543645059.db2.gz	CLUBPKPKCIDEQR-KGLIPLIRSA-N	1	1	360.483	2.230	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1	ZINC000118898979	543662021	/nfs/dbraw/zinc/66/20/21/543662021.db2.gz	YXSRGFOMCATKJQ-GJZGRUSLSA-N	1	1	374.510	2.477	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCc1ccc(C#N)cc1F	ZINC000125818502	543903589	/nfs/dbraw/zinc/90/35/89/543903589.db2.gz	ICWUYIDOTGBUJV-UHFFFAOYSA-N	1	1	362.449	2.197	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCN1CC(F)(F)F	ZINC000127949030	544023346	/nfs/dbraw/zinc/02/33/46/544023346.db2.gz	HPLPAZLMCOZOFS-CYBMUJFWSA-N	1	1	354.376	2.455	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCN1CC(F)(F)F	ZINC000127949030	544023349	/nfs/dbraw/zinc/02/33/49/544023349.db2.gz	HPLPAZLMCOZOFS-CYBMUJFWSA-N	1	1	354.376	2.455	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@H](C)C1	ZINC000127365811	543988413	/nfs/dbraw/zinc/98/84/13/543988413.db2.gz	RROQHEKLSZVDFB-KDOFPFPSSA-N	1	1	366.469	2.128	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2cccc(C#N)c2)C[N@H+]1Cc1ccccc1	ZINC000128125741	544034032	/nfs/dbraw/zinc/03/40/32/544034032.db2.gz	OGTKRJLPHLGITE-YJBOKZPZSA-N	1	1	355.463	2.500	20	30		FEEDMO
C#CCOc1ccc(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)C)cc1	ZINC000129183240	544095656	/nfs/dbraw/zinc/09/56/56/544095656.db2.gz	XHQJVMMKIAWVHT-OAHLLOKOSA-N	1	1	352.398	2.354	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000133796230	544283791	/nfs/dbraw/zinc/28/37/91/544283791.db2.gz	ODRRIWUCBKELCJ-GOSISDBHSA-N	1	1	369.513	2.368	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H](CO)C(C)(C)C	ZINC000134397886	544306480	/nfs/dbraw/zinc/30/64/80/544306480.db2.gz	JIPKLKCIQNTOCH-INIZCTEOSA-N	1	1	355.442	2.021	20	30		FEEDMO
C=C[C@@H](CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1)c1ccccc1	ZINC000134564764	544313211	/nfs/dbraw/zinc/31/32/11/544313211.db2.gz	NRONAFDYMSBTJI-PKOBYXMFSA-N	1	1	355.482	2.111	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1	ZINC000134799891	544321840	/nfs/dbraw/zinc/32/18/40/544321840.db2.gz	ICQJBCNRXOTPSD-XYPHTWIQSA-N	1	1	363.433	2.114	20	30		FEEDMO
CCOC(=O)CNC(=O)C1CC[NH+](CC#Cc2ccccc2Cl)CC1	ZINC000135215902	544338386	/nfs/dbraw/zinc/33/83/86/544338386.db2.gz	MEYALFWDXYANIB-UHFFFAOYSA-N	1	1	362.857	2.083	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1	ZINC000152901447	544709486	/nfs/dbraw/zinc/70/94/86/544709486.db2.gz	RKHUDGYGFWDYMO-AWEZNQCLSA-N	1	1	370.497	2.271	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CC[N@H+](CCOC)[C@@H](CCC)C2)s1	ZINC000153693605	544810048	/nfs/dbraw/zinc/81/00/48/544810048.db2.gz	XGOGQNJEHRXKQG-AWEZNQCLSA-N	1	1	352.504	2.314	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CC[N@@H+](CCOC)[C@@H](CCC)C2)s1	ZINC000153693605	544810053	/nfs/dbraw/zinc/81/00/53/544810053.db2.gz	XGOGQNJEHRXKQG-AWEZNQCLSA-N	1	1	352.504	2.314	20	30		FEEDMO
N#CCSCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1	ZINC000153956867	544845506	/nfs/dbraw/zinc/84/55/06/544845506.db2.gz	IIEGARLLZIDFLN-CQSZACIVSA-N	1	1	353.875	2.383	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1cc(Br)cc(C#N)c1)C1CC1	ZINC000155176839	544998563	/nfs/dbraw/zinc/99/85/63/544998563.db2.gz	AOLNHXKRMSUMOJ-UHFFFAOYSA-N	1	1	372.288	2.083	20	30		FEEDMO
C[C@@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC[N@H+]1CCO	ZINC000553540390	674269336	/nfs/dbraw/zinc/26/93/36/674269336.db2.gz	LXGRTBZGFDQIPW-SNVBAGLBSA-N	1	1	350.344	2.027	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21	ZINC000184852345	327885733	/nfs/dbraw/zinc/88/57/33/327885733.db2.gz	DHFJUBWQRONWEK-MRXNPFEDSA-N	1	1	371.462	2.248	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1cccc(Br)c1C#N)C(C)C	ZINC000553875997	674291553	/nfs/dbraw/zinc/29/15/53/674291553.db2.gz	VSKOJXVWFONROE-UHFFFAOYSA-N	1	1	374.304	2.329	20	30		FEEDMO
N#Cc1ccc(OC(F)F)c(NC(=O)NCC[N@H+]2CCCOCC2)c1	ZINC000188103479	328066244	/nfs/dbraw/zinc/06/62/44/328066244.db2.gz	JYQPQBLDHIIQPK-UHFFFAOYSA-N	1	1	354.357	2.003	20	30		FEEDMO
COCCO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000189664285	328160768	/nfs/dbraw/zinc/16/07/68/328160768.db2.gz	HQHJMCLDSPHHBJ-OAHLLOKOSA-N	1	1	351.834	2.278	20	30		FEEDMO
COCCC[N@@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000189915606	328176017	/nfs/dbraw/zinc/17/60/17/328176017.db2.gz	VCXBTFQFPPFGKO-UHFFFAOYSA-N	1	1	365.499	2.158	20	30		FEEDMO
CCOCCOCC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000190250043	328196855	/nfs/dbraw/zinc/19/68/55/328196855.db2.gz	QBPXIXNZUDQGDG-CYBMUJFWSA-N	1	1	365.499	2.420	20	30		FEEDMO
CCOCCOCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000190250043	328196857	/nfs/dbraw/zinc/19/68/57/328196857.db2.gz	QBPXIXNZUDQGDG-CYBMUJFWSA-N	1	1	365.499	2.420	20	30		FEEDMO
C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000191083209	328249161	/nfs/dbraw/zinc/24/91/61/328249161.db2.gz	GSYFQKHWYPMIJD-CYJAXWMASA-N	1	1	368.481	2.037	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1C#N	ZINC000191542259	328270401	/nfs/dbraw/zinc/27/04/01/328270401.db2.gz	HUVYMPZUSTZQJI-UHFFFAOYSA-N	1	1	370.404	2.479	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)cc1C#N	ZINC000191542259	328270403	/nfs/dbraw/zinc/27/04/03/328270403.db2.gz	HUVYMPZUSTZQJI-UHFFFAOYSA-N	1	1	370.404	2.479	20	30		FEEDMO
CN(C)c1noc(C2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)n1	ZINC000191909668	328288125	/nfs/dbraw/zinc/28/81/25/328288125.db2.gz	AUAVXUDPBPITIX-UHFFFAOYSA-N	1	1	351.414	2.035	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2=O)cc1	ZINC000192241563	328308603	/nfs/dbraw/zinc/30/86/03/328308603.db2.gz	ITZQYWHEFVULEB-OAHLLOKOSA-N	1	1	356.407	2.419	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc4c3OCCO4)C2=O)cc1	ZINC000192244167	328308670	/nfs/dbraw/zinc/30/86/70/328308670.db2.gz	RLFFGUDYJAFVLY-GOSISDBHSA-N	1	1	363.417	2.220	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000193225758	328363647	/nfs/dbraw/zinc/36/36/47/328363647.db2.gz	STKRNQBBLJBMND-INIZCTEOSA-N	1	1	359.474	2.062	20	30		FEEDMO
Cc1ccccc1Cc1nnc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)o1	ZINC000089943361	325343924	/nfs/dbraw/zinc/34/39/24/325343924.db2.gz	MJXSLKOJDMVXOB-UHFFFAOYSA-N	1	1	365.441	2.210	20	30		FEEDMO
Cc1ccccc1Cc1nnc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)o1	ZINC000089943361	325343930	/nfs/dbraw/zinc/34/39/30/325343930.db2.gz	MJXSLKOJDMVXOB-UHFFFAOYSA-N	1	1	365.441	2.210	20	30		FEEDMO
Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2cn3ccccc3c2C#N)CC1	ZINC000106142811	325585927	/nfs/dbraw/zinc/58/59/27/325585927.db2.gz	RQFLUOSOJIKNPY-UHFFFAOYSA-N	1	1	362.481	2.479	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000118810782	326104132	/nfs/dbraw/zinc/10/41/32/326104132.db2.gz	DWSSAPCOVRQRHG-SJORKVTESA-N	1	1	357.502	2.192	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000120954041	326301946	/nfs/dbraw/zinc/30/19/46/326301946.db2.gz	OQYROSXEBAVLTO-JKSUJKDBSA-N	1	1	351.447	2.086	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1C1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000121703040	326359368	/nfs/dbraw/zinc/35/93/68/326359368.db2.gz	ZXYMTIRDXXRHQN-CYBMUJFWSA-N	1	1	358.417	2.111	20	30		FEEDMO
C[C@@H](C(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1)[NH+]1CCSCC1	ZINC000152408292	326706485	/nfs/dbraw/zinc/70/64/85/326706485.db2.gz	BKXUBXWGCPNVBR-DOTOQJQBSA-N	1	1	358.511	2.081	20	30		FEEDMO
COc1cccc(OCC[NH+]2CCN(c3nc(C)ccc3C#N)CC2)c1	ZINC000161905455	327011963	/nfs/dbraw/zinc/01/19/63/327011963.db2.gz	YFYRYQLREKNTNI-UHFFFAOYSA-N	1	1	352.438	2.471	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NO[C@@H]3CCCCO3)CC2)cc1	ZINC000166589773	327082482	/nfs/dbraw/zinc/08/24/82/327082482.db2.gz	PCXOXTOJCZZRCL-GOSISDBHSA-N	1	1	358.442	2.234	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NO[C@@H]3CCCCO3)CC2)cc1	ZINC000166589773	327082483	/nfs/dbraw/zinc/08/24/83/327082483.db2.gz	PCXOXTOJCZZRCL-GOSISDBHSA-N	1	1	358.442	2.234	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C(C)C	ZINC000171056679	327114741	/nfs/dbraw/zinc/11/47/41/327114741.db2.gz	BZRSMGHXABKEDK-UHFFFAOYSA-N	1	1	371.441	2.185	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@H](O)COCc1ccccc1	ZINC000172252679	327190542	/nfs/dbraw/zinc/19/05/42/327190542.db2.gz	NINDLLLECGYNPA-FQEVSTJZSA-N	1	1	367.449	2.396	20	30		FEEDMO
CN(C)c1[nH+]cc(CNC(=O)CCCCOc2cccc(C#N)c2)n1C	ZINC000265095846	329090409	/nfs/dbraw/zinc/09/04/09/329090409.db2.gz	FBFUQGRQQWLEKP-UHFFFAOYSA-N	1	1	355.442	2.223	20	30		FEEDMO
CNC(=O)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000266962094	329277442	/nfs/dbraw/zinc/27/74/42/329277442.db2.gz	XVXNHOGATYZWHV-GFCCVEGCSA-N	1	1	362.861	2.387	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1	ZINC000267386442	329321446	/nfs/dbraw/zinc/32/14/46/329321446.db2.gz	NRVRAYOWVBJRDF-FQEVSTJZSA-N	1	1	371.481	2.225	20	30		FEEDMO
COCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000270345906	329592593	/nfs/dbraw/zinc/59/25/93/329592593.db2.gz	GDRRDBKPLLEYAQ-LBPRGKRZSA-N	1	1	351.834	2.012	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1F	ZINC000805074396	674317143	/nfs/dbraw/zinc/31/71/43/674317143.db2.gz	JIQVQNXJSZTKQV-KEYYUXOJSA-N	1	1	365.836	2.316	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc(F)c1C#N)c1ccc(F)cc1	ZINC000805121958	674320420	/nfs/dbraw/zinc/32/04/20/674320420.db2.gz	WTQKYZDPSHJMAJ-MRXNPFEDSA-N	1	1	365.405	2.418	20	30		FEEDMO
CO[C@H]1CCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000155606366	545547920	/nfs/dbraw/zinc/54/79/20/545547920.db2.gz	LRTMXHJYNPWGBT-MOPGFXCFSA-N	1	1	356.470	2.343	20	30		FEEDMO
CCN(CC)C(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000477281869	561141215	/nfs/dbraw/zinc/14/12/15/561141215.db2.gz	XFSDSBJFAMQCLJ-OAHLLOKOSA-N	1	1	356.470	2.466	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000157375822	545733598	/nfs/dbraw/zinc/73/35/98/545733598.db2.gz	WIWILNFRXYWROM-CQSZACIVSA-N	1	1	373.400	2.340	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@](C)(C(N)=O)c1ccccc1	ZINC000158202070	545834450	/nfs/dbraw/zinc/83/44/50/545834450.db2.gz	OREAUMQJJQAZOY-RXVVDRJESA-N	1	1	354.450	2.145	20	30		FEEDMO
CC[N@H+]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1	ZINC000158251700	545839682	/nfs/dbraw/zinc/83/96/82/545839682.db2.gz	KTYKRZOBAGZLOL-KRWDZBQOSA-N	1	1	358.486	2.358	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000158386323	545854349	/nfs/dbraw/zinc/85/43/49/545854349.db2.gz	WFROKIMIIFDROQ-MRXNPFEDSA-N	1	1	367.453	2.363	20	30		FEEDMO
N#Cc1ccsc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000158637153	545879207	/nfs/dbraw/zinc/87/92/07/545879207.db2.gz	BXOGMUVTVOPQSA-IAGOWNOFSA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1ccsc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000158637153	545879209	/nfs/dbraw/zinc/87/92/09/545879209.db2.gz	BXOGMUVTVOPQSA-IAGOWNOFSA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1ccc(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)[nH]1	ZINC000159101764	545922159	/nfs/dbraw/zinc/92/21/59/545922159.db2.gz	ISHQRXAQMDCRPC-UHFFFAOYSA-N	1	1	365.481	2.214	20	30		FEEDMO
COc1cc(O)c(C[N@H+]2CCCN(c3ncccc3C#N)CC2)cc1OC	ZINC000159926172	545992717	/nfs/dbraw/zinc/99/27/17/545992717.db2.gz	LUVXLUBAOSEFCP-UHFFFAOYSA-N	1	1	368.437	2.388	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1C#N	ZINC000161333761	546120871	/nfs/dbraw/zinc/12/08/71/546120871.db2.gz	PGIUDVWDJKUPAL-KRWDZBQOSA-N	1	1	372.469	2.083	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1C#N	ZINC000161333761	546120875	/nfs/dbraw/zinc/12/08/75/546120875.db2.gz	PGIUDVWDJKUPAL-KRWDZBQOSA-N	1	1	372.469	2.083	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1	ZINC000171537406	546213895	/nfs/dbraw/zinc/21/38/95/546213895.db2.gz	NWPPZLVTJKLBIP-UHFFFAOYSA-N	1	1	353.444	2.140	20	30		FEEDMO
COc1cccc([C@H](C)[NH+]2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)c1	ZINC000171705973	546219730	/nfs/dbraw/zinc/21/97/30/546219730.db2.gz	NOPLQDNFRSEZDO-DLBZAZTESA-N	1	1	358.486	2.134	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000171716208	546220374	/nfs/dbraw/zinc/22/03/74/546220374.db2.gz	LHFRGXSCFDJLKE-CQSZACIVSA-N	1	1	368.474	2.145	20	30		FEEDMO
COC(=O)CN(CC#N)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1	ZINC000172359211	546249972	/nfs/dbraw/zinc/24/99/72/546249972.db2.gz	RJNOFKZTKOJWBN-UHFFFAOYSA-N	1	1	365.433	2.457	20	30		FEEDMO
CN(CC(=O)N(CCC#N)CCC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000174946259	546305260	/nfs/dbraw/zinc/30/52/60/546305260.db2.gz	QWIUMHJYRRCPOE-HXUWFJFHSA-N	1	1	367.497	2.239	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000175781879	546349220	/nfs/dbraw/zinc/34/92/20/546349220.db2.gz	ZHFGFWFFBHKMNN-GOSISDBHSA-N	1	1	371.529	2.363	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1	ZINC000175871403	546364931	/nfs/dbraw/zinc/36/49/31/546364931.db2.gz	ZFTGKURCVQKXPC-OAHLLOKOSA-N	1	1	363.502	2.236	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)[N@@H+](C)Cc1ccccc1	ZINC000175982081	546384025	/nfs/dbraw/zinc/38/40/25/546384025.db2.gz	LWNXTQRGRJWWSN-CQSZACIVSA-N	1	1	368.412	2.273	20	30		FEEDMO
N#CCCN(CC1CC1)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000176332942	546433348	/nfs/dbraw/zinc/43/33/48/546433348.db2.gz	NSARLBUWEXRTFA-GOSISDBHSA-N	1	1	369.469	2.294	20	30		FEEDMO
N#CCCN(CC1CC1)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000176332942	546433349	/nfs/dbraw/zinc/43/33/49/546433349.db2.gz	NSARLBUWEXRTFA-GOSISDBHSA-N	1	1	369.469	2.294	20	30		FEEDMO
N#C[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1	ZINC000176610822	546467521	/nfs/dbraw/zinc/46/75/21/546467521.db2.gz	MHYKRXXRNNRVBW-HXUWFJFHSA-N	1	1	354.498	2.393	20	30		FEEDMO
N#Cc1csc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c1	ZINC000176980186	546518566	/nfs/dbraw/zinc/51/85/66/546518566.db2.gz	HPBIQPSFLVJOMB-OAHLLOKOSA-N	1	1	354.435	2.322	20	30		FEEDMO
N#Cc1csc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c1	ZINC000176980186	546518569	/nfs/dbraw/zinc/51/85/69/546518569.db2.gz	HPBIQPSFLVJOMB-OAHLLOKOSA-N	1	1	354.435	2.322	20	30		FEEDMO
C=CCCS(=O)(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000480967425	561221504	/nfs/dbraw/zinc/22/15/04/561221504.db2.gz	VMDAULHENHOWLJ-UHFFFAOYSA-N	1	1	365.543	2.080	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000178043948	546729619	/nfs/dbraw/zinc/72/96/19/546729619.db2.gz	BOGIDBOFHJCSSU-GOSISDBHSA-N	1	1	355.482	2.329	20	30		FEEDMO
CC(C)(C)NC(=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000481144133	561226221	/nfs/dbraw/zinc/22/62/21/561226221.db2.gz	NIPONSPBUBMKPF-UHFFFAOYSA-N	1	1	357.458	2.013	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1	ZINC000178412505	546789211	/nfs/dbraw/zinc/78/92/11/546789211.db2.gz	HFYGQHWTCJUVTH-UHFFFAOYSA-N	1	1	364.449	2.444	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000178501520	546803914	/nfs/dbraw/zinc/80/39/14/546803914.db2.gz	FYOGRKWGHWZUBA-QGZVFWFLSA-N	1	1	354.454	2.186	20	30		FEEDMO
CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000481606314	561237083	/nfs/dbraw/zinc/23/70/83/561237083.db2.gz	QPVNGRYUNCTIDN-LBPRGKRZSA-N	1	1	362.861	2.387	20	30		FEEDMO
CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000481737670	561240335	/nfs/dbraw/zinc/24/03/35/561240335.db2.gz	PAUQYSXSNOHIHE-HOTGVXAUSA-N	1	1	370.409	2.151	20	30		FEEDMO
CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000481737670	561240336	/nfs/dbraw/zinc/24/03/36/561240336.db2.gz	PAUQYSXSNOHIHE-HOTGVXAUSA-N	1	1	370.409	2.151	20	30		FEEDMO
C=C[C@H](CC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1	ZINC000179302488	546928064	/nfs/dbraw/zinc/92/80/64/546928064.db2.gz	ACFKMIJDHZVMLA-IEBWSBKVSA-N	1	1	355.482	2.111	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000180407425	547102399	/nfs/dbraw/zinc/10/23/99/547102399.db2.gz	RYDFWQSZUXHHTB-ZIAGYGMSSA-N	1	1	372.444	2.405	20	30		FEEDMO
C=C(C)COc1cc(C[N@H+]2CC[C@H](S(=O)(=O)NCC)C2)ccc1OC	ZINC000181567205	547337703	/nfs/dbraw/zinc/33/77/03/547337703.db2.gz	LWEBAMVQBXUGAA-INIZCTEOSA-N	1	1	368.499	2.164	20	30		FEEDMO
C=C(C)COc1cc(C[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)ccc1OC	ZINC000181567205	547337706	/nfs/dbraw/zinc/33/77/06/547337706.db2.gz	LWEBAMVQBXUGAA-INIZCTEOSA-N	1	1	368.499	2.164	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(F)c2F)CC1	ZINC000181976414	547416169	/nfs/dbraw/zinc/41/61/69/547416169.db2.gz	KDXCLEKTTAXAJV-YOEHRIQHSA-N	1	1	364.440	2.308	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2cccc(F)c2F)CC1	ZINC000181976433	547416322	/nfs/dbraw/zinc/41/63/22/547416322.db2.gz	KDXCLEKTTAXAJV-RHSMWYFYSA-N	1	1	364.440	2.308	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1C#N	ZINC000182082546	547434257	/nfs/dbraw/zinc/43/42/57/547434257.db2.gz	XKNKREISAIWNSQ-LSDHHAIUSA-N	1	1	360.458	2.264	20	30		FEEDMO
CCOCCO[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182921518	547573542	/nfs/dbraw/zinc/57/35/42/547573542.db2.gz	JDLUXPFWZBFCNZ-OALUTQOASA-N	1	1	357.454	2.181	20	30		FEEDMO
CCOCCO[C@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182921518	547573544	/nfs/dbraw/zinc/57/35/44/547573544.db2.gz	JDLUXPFWZBFCNZ-OALUTQOASA-N	1	1	357.454	2.181	20	30		FEEDMO
N#Cc1ccc(CCC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000183414578	547654196	/nfs/dbraw/zinc/65/41/96/547654196.db2.gz	UMWHZZRWJKHTIB-OAQYLSRUSA-N	1	1	363.461	2.374	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000184306067	547804393	/nfs/dbraw/zinc/80/43/93/547804393.db2.gz	YYJDPTKSGOLZIY-MRXNPFEDSA-N	1	1	373.501	2.467	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000184306067	547804397	/nfs/dbraw/zinc/80/43/97/547804397.db2.gz	YYJDPTKSGOLZIY-MRXNPFEDSA-N	1	1	373.501	2.467	20	30		FEEDMO
C[C@H]1C[C@@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC[N@H+]1C	ZINC000184642030	547859821	/nfs/dbraw/zinc/85/98/21/547859821.db2.gz	PNFGYQVMZUAEEG-BBRMVZONSA-N	1	1	353.430	2.085	20	30		FEEDMO
COc1cc(Cl)cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1O	ZINC000184702551	547866986	/nfs/dbraw/zinc/86/69/86/547866986.db2.gz	SWXAIJIGEMKQAP-GFCCVEGCSA-N	1	1	373.844	2.427	20	30		FEEDMO
COc1cc(Cl)cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1O	ZINC000184702551	547866987	/nfs/dbraw/zinc/86/69/87/547866987.db2.gz	SWXAIJIGEMKQAP-GFCCVEGCSA-N	1	1	373.844	2.427	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1	ZINC000185182083	547947925	/nfs/dbraw/zinc/94/79/25/547947925.db2.gz	BDCHPAOCOXAXOZ-KRWDZBQOSA-N	1	1	371.481	2.121	20	30		FEEDMO
C[C@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1	ZINC000186269997	548110706	/nfs/dbraw/zinc/11/07/06/548110706.db2.gz	PJUAJEWQVNLMCP-ABAIWWIYSA-N	1	1	355.269	2.310	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1	ZINC000186755491	548185704	/nfs/dbraw/zinc/18/57/04/548185704.db2.gz	BPUPESBBPWRYIB-CABCVRRESA-N	1	1	360.458	2.286	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H](C)O1	ZINC000195314632	548620275	/nfs/dbraw/zinc/62/02/75/548620275.db2.gz	RTLGZRHRJJCCOC-GASCZTMLSA-N	1	1	355.442	2.149	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H](C)O1	ZINC000195314632	548620280	/nfs/dbraw/zinc/62/02/80/548620280.db2.gz	RTLGZRHRJJCCOC-GASCZTMLSA-N	1	1	355.442	2.149	20	30		FEEDMO
CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245395072	548906247	/nfs/dbraw/zinc/90/62/47/548906247.db2.gz	ZCMNXURWIUIFBQ-HKUYNNGSSA-N	1	1	368.481	2.292	20	30		FEEDMO
CCCC(=O)NC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245395072	548906251	/nfs/dbraw/zinc/90/62/51/548906251.db2.gz	ZCMNXURWIUIFBQ-HKUYNNGSSA-N	1	1	368.481	2.292	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCC[C@@H]1C	ZINC000488039314	561382072	/nfs/dbraw/zinc/38/20/72/561382072.db2.gz	AVWOZBVLQXSPBM-MAUKXSAKSA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCC[C@@H]1C	ZINC000488039314	561382073	/nfs/dbraw/zinc/38/20/73/561382073.db2.gz	AVWOZBVLQXSPBM-MAUKXSAKSA-N	1	1	350.484	2.469	20	30		FEEDMO
N#Cc1cc(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1F	ZINC000245837999	549001368	/nfs/dbraw/zinc/00/13/68/549001368.db2.gz	HJUZLEMKIZXNCF-ROUUACIJSA-N	1	1	368.412	2.454	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)CN2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c1C	ZINC000245875440	549008033	/nfs/dbraw/zinc/00/80/33/549008033.db2.gz	MFUVXWMRZHNUDA-MRXNPFEDSA-N	1	1	361.486	2.043	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)CN2CC[N@H+](CCC(=O)OC)C[C@H]2C)c1C	ZINC000245875440	549008036	/nfs/dbraw/zinc/00/80/36/549008036.db2.gz	MFUVXWMRZHNUDA-MRXNPFEDSA-N	1	1	361.486	2.043	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1	ZINC000246095240	549051393	/nfs/dbraw/zinc/05/13/93/549051393.db2.gz	OGLUKDGCPLHBPS-AEFFLSMTSA-N	1	1	367.453	2.104	20	30		FEEDMO
CC(C)n1cnnc1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000246148937	549063717	/nfs/dbraw/zinc/06/37/17/549063717.db2.gz	LXSGVRCYYFXZCG-QZTJIDSGSA-N	1	1	369.469	2.350	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[N@H+]1C1CC1	ZINC000246153319	549064194	/nfs/dbraw/zinc/06/41/94/549064194.db2.gz	DFBIPXYTBVWTFG-POAQFYNOSA-N	1	1	367.497	2.031	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000246209249	549078460	/nfs/dbraw/zinc/07/84/60/549078460.db2.gz	AINWWYAXWFPUDS-HKUYNNGSSA-N	1	1	359.495	2.337	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[N@H+]1CCC[C@H](C)C1	ZINC000246284478	549095964	/nfs/dbraw/zinc/09/59/64/549095964.db2.gz	UCHXRLDOWJZISS-QWHCGFSZSA-N	1	1	362.861	2.387	20	30		FEEDMO
CCN(C[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1)CC(F)(F)F	ZINC000246285184	549097485	/nfs/dbraw/zinc/09/74/85/549097485.db2.gz	XFLBQNIYVHRDDS-XJKSGUPXSA-N	1	1	360.424	2.001	20	30		FEEDMO
COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1	ZINC000246291457	549099119	/nfs/dbraw/zinc/09/91/19/549099119.db2.gz	OWCXWLOJHJGHAT-RYQLBKOJSA-N	1	1	357.454	2.026	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N	ZINC000246741146	549201891	/nfs/dbraw/zinc/20/18/91/549201891.db2.gz	QQCMHMLALBQTOD-HUUCEWRRSA-N	1	1	374.510	2.477	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(F)cc1	ZINC000488893378	561399002	/nfs/dbraw/zinc/39/90/02/561399002.db2.gz	TVWQTAINYMLNMK-KRWDZBQOSA-N	1	1	365.405	2.418	20	30		FEEDMO
CCc1ccc([C@H](CNS(=O)(=O)c2cnc(C)c(C#N)c2)[NH+](C)C)cc1	ZINC000489067276	561402515	/nfs/dbraw/zinc/40/25/15/561402515.db2.gz	DGTXHQUGDSJMES-IBGZPJMESA-N	1	1	372.494	2.405	20	30		FEEDMO
CC[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O	ZINC000247142425	549290459	/nfs/dbraw/zinc/29/04/59/549290459.db2.gz	WHVFVSNYEFSVJR-RDJZCZTQSA-N	1	1	359.470	2.019	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000489114814	561403619	/nfs/dbraw/zinc/40/36/19/561403619.db2.gz	JJGGRWJKUSJPEN-UHFFFAOYSA-N	1	1	367.434	2.234	20	30		FEEDMO
COc1ccccc1C[N@@H+](CCO)CCC(=O)Nc1sccc1C#N	ZINC000489195391	561405409	/nfs/dbraw/zinc/40/54/09/561405409.db2.gz	KHZQHUYKDALDLH-UHFFFAOYSA-N	1	1	359.451	2.451	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1	ZINC000247877127	549388847	/nfs/dbraw/zinc/38/88/47/549388847.db2.gz	YVIHEAMOHKSFJP-IRXDYDNUSA-N	1	1	370.501	2.108	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000248387273	549425039	/nfs/dbraw/zinc/42/50/39/549425039.db2.gz	ATFZXXZBFSYSOJ-CABCVRRESA-N	1	1	367.457	2.381	20	30		FEEDMO
CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000248687296	549485404	/nfs/dbraw/zinc/48/54/04/549485404.db2.gz	ANIBDNZSHUZALP-YLJYHZDGSA-N	1	1	360.454	2.209	20	30		FEEDMO
C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000489473865	561412419	/nfs/dbraw/zinc/41/24/19/561412419.db2.gz	JWGHXSVLLJFGII-SJORKVTESA-N	1	1	358.511	2.497	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(Cc2cc(C#N)ccc2Br)[C@H](C)C1	ZINC000249205347	549569733	/nfs/dbraw/zinc/56/97/33/549569733.db2.gz	BDYUCAPOOFQKFX-OLZOCXBDSA-N	1	1	352.276	2.208	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1	ZINC000249255302	549572914	/nfs/dbraw/zinc/57/29/14/549572914.db2.gz	YJIUINULIHADLZ-MAUKXSAKSA-N	1	1	357.454	2.133	20	30		FEEDMO
CN1CCN(c2ccc(CNC(=[NH2+])Nc3cc(F)ccc3F)cn2)CC1	ZINC000262255699	549803007	/nfs/dbraw/zinc/80/30/07/549803007.db2.gz	FDJYZYZXEMDNFM-UHFFFAOYSA-N	1	1	360.412	2.038	20	30		FEEDMO
N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1	ZINC000263676438	549917877	/nfs/dbraw/zinc/91/78/77/549917877.db2.gz	IAUSFWWHTUQINP-MJGOQNOKSA-N	1	1	353.470	2.017	20	30		FEEDMO
COCC[N@@H+](C)CCNC(=O)c1occc1COc1cccc(C#N)c1	ZINC000263714691	549924533	/nfs/dbraw/zinc/92/45/33/549924533.db2.gz	DTDZQOMOSJRSGL-UHFFFAOYSA-N	1	1	357.410	2.038	20	30		FEEDMO
COC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000264972402	550004215	/nfs/dbraw/zinc/00/42/15/550004215.db2.gz	GLZHZBNWBNROCR-CABCVRRESA-N	1	1	361.442	2.071	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)CC1(CS(C)(=O)=O)CC1)C(C)C	ZINC000267035870	550027133	/nfs/dbraw/zinc/02/71/33/550027133.db2.gz	USQXLPVREZTBLW-MRXNPFEDSA-N	1	1	356.532	2.016	20	30		FEEDMO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2cn[nH]c21	ZINC000269021004	550145185	/nfs/dbraw/zinc/14/51/85/550145185.db2.gz	IDQIKCKFPPPLII-GOSISDBHSA-N	1	1	366.469	2.432	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC2(CC1)OCCc1ccsc12)C1CC1	ZINC000492581525	561451961	/nfs/dbraw/zinc/45/19/61/561451961.db2.gz	STNKPBRFXKMNAB-SFHVURJKSA-N	1	1	359.495	2.420	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)N1CC[NH+](C)CC1	ZINC000269687957	550216839	/nfs/dbraw/zinc/21/68/39/550216839.db2.gz	NYVJOTNKAPQVSC-LJQANCHMSA-N	1	1	369.513	2.119	20	30		FEEDMO
COC[C@H](C)NC(=[NH2+])NC[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000270535831	550281155	/nfs/dbraw/zinc/28/11/55/550281155.db2.gz	AIZXXADZBLAEEY-GHJWDPDVSA-N	1	1	356.873	2.411	20	30		FEEDMO
CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@@H]1O	ZINC000270930211	550322391	/nfs/dbraw/zinc/32/23/91/550322391.db2.gz	QBTWVFAIAILWQJ-QAPCUYQASA-N	1	1	370.453	2.259	20	30		FEEDMO
CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@@H]1O	ZINC000270930211	550322394	/nfs/dbraw/zinc/32/23/94/550322394.db2.gz	QBTWVFAIAILWQJ-QAPCUYQASA-N	1	1	370.453	2.259	20	30		FEEDMO
COc1cccc(C[N@@H+](CCC(=O)N(C)CCC#N)C[C@@H]2CCCO2)c1	ZINC000271492970	550379659	/nfs/dbraw/zinc/37/96/59/550379659.db2.gz	FSVBEJXJSDFAJK-IBGZPJMESA-N	1	1	359.470	2.438	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1	ZINC000273149983	550487470	/nfs/dbraw/zinc/48/74/70/550487470.db2.gz	HPHLBRXGHPLLLC-CQSZACIVSA-N	1	1	358.442	2.355	20	30		FEEDMO
COC(=O)c1coc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1	ZINC000273381463	550496290	/nfs/dbraw/zinc/49/62/90/550496290.db2.gz	HUTODYNIJFFTJD-KRWDZBQOSA-N	1	1	353.378	2.223	20	30		FEEDMO
C[N@@H+]1CC=C(CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000274054093	550521260	/nfs/dbraw/zinc/52/12/60/550521260.db2.gz	ZGDXUPGYNINRDQ-UHFFFAOYSA-N	1	1	359.373	2.117	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1C	ZINC000275071753	550570440	/nfs/dbraw/zinc/57/04/40/550570440.db2.gz	AKBHRXLWQVSNDZ-AWEZNQCLSA-N	1	1	371.403	2.474	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)c1C	ZINC000275071753	550570442	/nfs/dbraw/zinc/57/04/42/550570442.db2.gz	AKBHRXLWQVSNDZ-AWEZNQCLSA-N	1	1	371.403	2.474	20	30		FEEDMO
C=CC[C@H](C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1	ZINC000275126064	550570566	/nfs/dbraw/zinc/57/05/66/550570566.db2.gz	KCIPSEWJZITVOJ-FQEVSTJZSA-N	1	1	369.509	2.359	20	30		FEEDMO
CC1(C)C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@@H]1O	ZINC000275539950	550572807	/nfs/dbraw/zinc/57/28/07/550572807.db2.gz	YQFGOGVMWAJYEN-INIZCTEOSA-N	1	1	368.399	2.266	20	30		FEEDMO
CC1(C)C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[C@@H]1O	ZINC000275539950	550572809	/nfs/dbraw/zinc/57/28/09/550572809.db2.gz	YQFGOGVMWAJYEN-INIZCTEOSA-N	1	1	368.399	2.266	20	30		FEEDMO
N#Cc1ncccc1S(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000277028705	550623770	/nfs/dbraw/zinc/62/37/70/550623770.db2.gz	NUKNSKFNLHKRFN-QGZVFWFLSA-N	1	1	356.451	2.069	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CNc2cccc(C#N)c2)C[C@@H](C)O1	ZINC000495079430	561481927	/nfs/dbraw/zinc/48/19/27/561481927.db2.gz	OJWBXZXBSUEUNV-GPMSIDNRSA-N	1	1	356.470	2.070	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000278796069	550822855	/nfs/dbraw/zinc/82/28/55/550822855.db2.gz	YQXBQIZPVGRDNN-MRXNPFEDSA-N	1	1	357.454	2.416	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1	ZINC000279411103	550886988	/nfs/dbraw/zinc/88/69/88/550886988.db2.gz	NVHOSNFTLMBHIF-VQIMIIECSA-N	1	1	350.470	2.385	20	30		FEEDMO
CN1CC[C@@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1	ZINC000279411103	550886989	/nfs/dbraw/zinc/88/69/89/550886989.db2.gz	NVHOSNFTLMBHIF-VQIMIIECSA-N	1	1	350.470	2.385	20	30		FEEDMO
CN1CC[C@@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1	ZINC000279411103	550886990	/nfs/dbraw/zinc/88/69/90/550886990.db2.gz	NVHOSNFTLMBHIF-VQIMIIECSA-N	1	1	350.470	2.385	20	30		FEEDMO
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000279410818	550887050	/nfs/dbraw/zinc/88/70/50/550887050.db2.gz	XBXFFWYTVKMFMU-RMKNXTFCSA-N	1	1	357.454	2.171	20	30		FEEDMO
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000279410818	550887052	/nfs/dbraw/zinc/88/70/52/550887052.db2.gz	XBXFFWYTVKMFMU-RMKNXTFCSA-N	1	1	357.454	2.171	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC=CCC1	ZINC000280453938	550995778	/nfs/dbraw/zinc/99/57/78/550995778.db2.gz	NNWUUZBYTJARGZ-OAHLLOKOSA-N	1	1	372.494	2.255	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC=CCC1	ZINC000280453938	550995780	/nfs/dbraw/zinc/99/57/80/550995780.db2.gz	NNWUUZBYTJARGZ-OAHLLOKOSA-N	1	1	372.494	2.255	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000281180307	551071449	/nfs/dbraw/zinc/07/14/49/551071449.db2.gz	QSXDIGPJBMXIKV-FQEVSTJZSA-N	1	1	356.470	2.008	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000281260605	551078713	/nfs/dbraw/zinc/07/87/13/551078713.db2.gz	VKTBFAGKKRDTCJ-UWJYYQICSA-N	1	1	370.497	2.397	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)C1=O	ZINC000281330704	551085471	/nfs/dbraw/zinc/08/54/71/551085471.db2.gz	RWHGAGWKPOWXAR-SFHVURJKSA-N	1	1	354.454	2.218	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1	ZINC000281637926	551123838	/nfs/dbraw/zinc/12/38/38/551123838.db2.gz	XXIPXMGQPVXUJA-RLLQIKCJSA-N	1	1	358.482	2.282	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCC[N@H+](C(C)C)C3)CC2)o1	ZINC000281694492	551131650	/nfs/dbraw/zinc/13/16/50/551131650.db2.gz	VMBWLOHWQYSQCR-INIZCTEOSA-N	1	1	359.474	2.060	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000281870102	551150775	/nfs/dbraw/zinc/15/07/75/551150775.db2.gz	SMRWCSRIOWTGFO-VQTJNVASSA-N	1	1	373.497	2.299	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000281998007	551167680	/nfs/dbraw/zinc/16/76/80/551167680.db2.gz	XFYXBLSFEDMITI-UHFFFAOYSA-N	1	1	360.502	2.077	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nc1	ZINC000282061697	551175609	/nfs/dbraw/zinc/17/56/09/551175609.db2.gz	YKXWOTSJTXEECK-QGZVFWFLSA-N	1	1	363.465	2.361	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)N1CC[NH+](C)CC1	ZINC000282337516	551213778	/nfs/dbraw/zinc/21/37/78/551213778.db2.gz	XGTRAYXILQVTEA-LLVKDONJSA-N	1	1	356.348	2.031	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CCC(=O)Nc2ccccc2C#N)O1	ZINC000282348794	551215021	/nfs/dbraw/zinc/21/50/21/551215021.db2.gz	CLQRKYMBYDMHLX-ZSGPHXLJSA-N	1	1	371.437	2.070	20	30		FEEDMO
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000282443513	551229823	/nfs/dbraw/zinc/22/98/23/551229823.db2.gz	ZRVCRUPIESOTAL-WBVHZDCISA-N	1	1	372.517	2.055	20	30		FEEDMO
Cc1cc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n(C)n1	ZINC000283801340	551429597	/nfs/dbraw/zinc/42/95/97/551429597.db2.gz	AYWDFGPPGJCAMS-UHFFFAOYSA-N	1	1	366.469	2.018	20	30		FEEDMO
CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C2CC2)CC1	ZINC000284296313	551517351	/nfs/dbraw/zinc/51/73/51/551517351.db2.gz	GJPCDJAHHNUOHW-UHFFFAOYSA-N	1	1	352.442	2.033	20	30		FEEDMO
COc1cccc([C@H](CNS(=O)(=O)CC2(C#N)CCCC2)[NH+](C)C)c1	ZINC000498872747	561536608	/nfs/dbraw/zinc/53/66/08/561536608.db2.gz	JJSDPBCTXRLVDL-KRWDZBQOSA-N	1	1	365.499	2.301	20	30		FEEDMO
C=CCC[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1	ZINC000285332234	551739723	/nfs/dbraw/zinc/73/97/23/551739723.db2.gz	UJOBTSDOPLGXDD-APWZRJJASA-N	1	1	355.482	2.411	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)N1CC[NH+](C)CC1	ZINC000285360731	551743520	/nfs/dbraw/zinc/74/35/20/551743520.db2.gz	AJPAKBKTDVBTAY-LJQANCHMSA-N	1	1	374.504	2.363	20	30		FEEDMO
CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000285512377	551767902	/nfs/dbraw/zinc/76/79/02/551767902.db2.gz	ODSMSHLDGADZHP-INIZCTEOSA-N	1	1	358.442	2.440	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1C	ZINC000498941396	561538738	/nfs/dbraw/zinc/53/87/38/561538738.db2.gz	YZRKWIBSKGXARC-JKSUJKDBSA-N	1	1	366.469	2.097	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1(C)C	ZINC000285844748	551818265	/nfs/dbraw/zinc/81/82/65/551818265.db2.gz	GORXBDSDQJZARK-UHFFFAOYSA-N	1	1	360.477	2.117	20	30		FEEDMO
N#Cc1cc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)ccc1F	ZINC000286030319	551840413	/nfs/dbraw/zinc/84/04/13/551840413.db2.gz	PVQPVDHRCYPFRT-UHFFFAOYSA-N	1	1	367.428	2.034	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000286034702	551840939	/nfs/dbraw/zinc/84/09/39/551840939.db2.gz	BGLRHMWJEVCXPB-ZHALLVOQSA-N	1	1	370.472	2.466	20	30		FEEDMO
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)o1	ZINC000286442955	551885664	/nfs/dbraw/zinc/88/56/64/551885664.db2.gz	HZVURXGMMZMNLM-NVXWUHKLSA-N	1	1	357.435	2.456	20	30		FEEDMO
C[C@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@H+]1CC(C)(C)O	ZINC000286655052	551911158	/nfs/dbraw/zinc/91/11/58/551911158.db2.gz	CGGZTHBIJZAFCP-AWEZNQCLSA-N	1	1	361.461	2.279	20	30		FEEDMO
N#Cc1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc(N)c1[N+](=O)[O-]	ZINC000286729353	551919607	/nfs/dbraw/zinc/91/96/07/551919607.db2.gz	FMZGVWLHEHLXJY-QGZVFWFLSA-N	1	1	367.409	2.227	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C	ZINC000287129700	551967092	/nfs/dbraw/zinc/96/70/92/551967092.db2.gz	UORIHCNFYRVOMT-ALOPSCKCSA-N	1	1	369.469	2.072	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000499440163	561550902	/nfs/dbraw/zinc/55/09/02/561550902.db2.gz	BPGQAXWQTXMANQ-FUHWJXTLSA-N	1	1	359.470	2.285	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000288476004	552159867	/nfs/dbraw/zinc/15/98/67/552159867.db2.gz	PTWGWQYILSDZIE-UHFFFAOYSA-N	1	1	372.400	2.209	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1=O	ZINC000499964088	561563063	/nfs/dbraw/zinc/56/30/63/561563063.db2.gz	LGKUQTFMTNJUAL-IEBWSBKVSA-N	1	1	360.498	2.443	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(/C=C/C)cc2OC)C1=O	ZINC000500019139	561564150	/nfs/dbraw/zinc/56/41/50/561564150.db2.gz	MVVXAKUXOOAGBL-MJMQLPLLSA-N	1	1	374.481	2.187	20	30		FEEDMO
C[C@@H](c1nc(N)nc(Cl)n1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000289399686	552314869	/nfs/dbraw/zinc/31/48/69/552314869.db2.gz	RWXGRPMERBPRKR-ZDUSSCGKSA-N	1	1	371.876	2.248	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)CC1	ZINC000289975729	552408454	/nfs/dbraw/zinc/40/84/54/552408454.db2.gz	ZNUNGQNPLOAGPS-HNNXBMFYSA-N	1	1	360.458	2.278	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000290266525	552451243	/nfs/dbraw/zinc/45/12/43/552451243.db2.gz	OXJZUIDIZKVNKW-CQSZACIVSA-N	1	1	360.433	2.407	20	30		FEEDMO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C	ZINC000291068300	552582860	/nfs/dbraw/zinc/58/28/60/552582860.db2.gz	QJZLPOMQFBFNJC-SJORKVTESA-N	1	1	374.533	2.257	20	30		FEEDMO
COc1ccc([C@@H](O)C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1	ZINC000291773008	552660115	/nfs/dbraw/zinc/66/01/15/552660115.db2.gz	LUFIHSLTXFVKLB-NHCUHLMSSA-N	1	1	373.497	2.495	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000291834977	552666720	/nfs/dbraw/zinc/66/67/20/552666720.db2.gz	AGKDALKOEFGOAW-UHFFFAOYSA-N	1	1	365.430	2.433	20	30		FEEDMO
COc1cccc(NC(=O)CC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292241080	552708002	/nfs/dbraw/zinc/70/80/02/552708002.db2.gz	QGBGCXPWJLBDDO-GOSISDBHSA-N	1	1	366.421	2.444	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@H]3C(N)=O)sc2C1	ZINC000293163099	552795018	/nfs/dbraw/zinc/79/50/18/552795018.db2.gz	CKCXGLGEACJMIB-DOMZBBRYSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCC[C@H]3C(N)=O)sc2C1	ZINC000293163099	552795020	/nfs/dbraw/zinc/79/50/20/552795020.db2.gz	CKCXGLGEACJMIB-DOMZBBRYSA-N	1	1	374.510	2.413	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000293522229	552832178	/nfs/dbraw/zinc/83/21/78/552832178.db2.gz	YMWYQDMSJWHHBW-CQSZACIVSA-N	1	1	354.454	2.138	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1	ZINC000294103239	552882034	/nfs/dbraw/zinc/88/20/34/552882034.db2.gz	YNKKNZMHSIBVHG-ZHACJKMWSA-N	1	1	367.493	2.010	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)c1ccccc1	ZINC000294537610	552914029	/nfs/dbraw/zinc/91/40/29/552914029.db2.gz	VRBUPNGGECLONI-SFHVURJKSA-N	1	1	361.442	2.420	20	30		FEEDMO
CN(C)c1[nH+]cc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)n1C	ZINC000502180574	561613741	/nfs/dbraw/zinc/61/37/41/561613741.db2.gz	BBUGDWZGFXVUTN-UHFFFAOYSA-N	1	1	364.453	2.357	20	30		FEEDMO
C[C@H]1CC[C@@H](c2nnc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2C)O1	ZINC000295940446	553078741	/nfs/dbraw/zinc/07/87/41/553078741.db2.gz	LIVZARILIQURHV-YJBOKZPZSA-N	1	1	366.469	2.249	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000502373605	561617256	/nfs/dbraw/zinc/61/72/56/561617256.db2.gz	IAXNQZLGUSPCGX-HNNXBMFYSA-N	1	1	359.474	2.020	20	30		FEEDMO
C=CCNC(=O)C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000502373605	561617257	/nfs/dbraw/zinc/61/72/57/561617257.db2.gz	IAXNQZLGUSPCGX-HNNXBMFYSA-N	1	1	359.474	2.020	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1	ZINC000296011773	553089214	/nfs/dbraw/zinc/08/92/14/553089214.db2.gz	KGMBJBMVSAPNSJ-OAHLLOKOSA-N	1	1	357.454	2.133	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)[N@@H+](C)C1CC1	ZINC000296438803	553160000	/nfs/dbraw/zinc/16/00/00/553160000.db2.gz	FDDUQSMEUYQXMK-LLVKDONJSA-N	1	1	362.499	2.455	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1	ZINC000296762424	553208394	/nfs/dbraw/zinc/20/83/94/553208394.db2.gz	UZRCBEHFOVYGIB-ZYSHUDEJSA-N	1	1	356.470	2.135	20	30		FEEDMO
COc1cc(/C=C/C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCC#N	ZINC000297049385	553246876	/nfs/dbraw/zinc/24/68/76/553246876.db2.gz	OVIKUHGSGWHBLQ-AETKHAMZSA-N	1	1	355.438	2.352	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1	ZINC000297509515	553301830	/nfs/dbraw/zinc/30/18/30/553301830.db2.gz	OYYMDWYJIDIQOA-VQTJNVASSA-N	1	1	365.481	2.366	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000297635672	553318377	/nfs/dbraw/zinc/31/83/77/553318377.db2.gz	IHKBMDKOXXELNY-LMMKCTJWSA-N	1	1	370.497	2.116	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2	ZINC000298177637	553394531	/nfs/dbraw/zinc/39/45/31/553394531.db2.gz	CZECANQGUYZFIC-OAQYLSRUSA-N	1	1	355.482	2.146	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1	ZINC000298226332	553400515	/nfs/dbraw/zinc/40/05/15/553400515.db2.gz	AQWBNGHQQPYEER-IBGZPJMESA-N	1	1	365.433	2.061	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1	ZINC000298614281	553449341	/nfs/dbraw/zinc/44/93/41/553449341.db2.gz	RQWKNRXVSLBMKY-SFHVURJKSA-N	1	1	373.497	2.010	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1	ZINC000298848813	553480477	/nfs/dbraw/zinc/48/04/77/553480477.db2.gz	KWFJFSCDKMPYPX-UHFFFAOYSA-N	1	1	370.478	2.037	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000298962108	553495791	/nfs/dbraw/zinc/49/57/91/553495791.db2.gz	NBRWLTPMYHFNPO-LJQANCHMSA-N	1	1	371.529	2.385	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)nc1	ZINC000299080324	553512928	/nfs/dbraw/zinc/51/29/28/553512928.db2.gz	RHHIKJNNRKVDRB-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
N#Cc1ccc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1	ZINC000299189640	553527511	/nfs/dbraw/zinc/52/75/11/553527511.db2.gz	FOCRYKOUUCVAJJ-UHFFFAOYSA-N	1	1	355.360	2.285	20	30		FEEDMO
COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)Cc1cccc(C#N)c1	ZINC000299222339	553532589	/nfs/dbraw/zinc/53/25/89/553532589.db2.gz	LRLFDQFUWCQDTF-QGZVFWFLSA-N	1	1	356.422	2.447	20	30		FEEDMO
CCCCNC(=O)[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000299476136	553568521	/nfs/dbraw/zinc/56/85/21/553568521.db2.gz	WZFYFGCROVHACA-PKOBYXMFSA-N	1	1	368.481	2.292	20	30		FEEDMO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1	ZINC000504338694	561656500	/nfs/dbraw/zinc/65/65/00/561656500.db2.gz	NJKOFLJHOOBCMN-HOTGVXAUSA-N	1	1	371.460	2.156	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@H+](CCNc1nnc(C)c(C)c1C#N)CC2	ZINC000301095722	553621233	/nfs/dbraw/zinc/62/12/33/553621233.db2.gz	PRDLGFHNPMPTRK-UHFFFAOYSA-N	1	1	367.453	2.453	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@@H+](CCNc1nnc(C)c(C)c1C#N)CC2	ZINC000301095722	553621235	/nfs/dbraw/zinc/62/12/35/553621235.db2.gz	PRDLGFHNPMPTRK-UHFFFAOYSA-N	1	1	367.453	2.453	20	30		FEEDMO
C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[N@H+]1CCc2ccccc2C1	ZINC000301364860	553645504	/nfs/dbraw/zinc/64/55/04/553645504.db2.gz	RUCVFQRPQFYQTB-AWEZNQCLSA-N	1	1	370.478	2.064	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1C#N	ZINC000301394023	553648130	/nfs/dbraw/zinc/64/81/30/553648130.db2.gz	CXVIWUWZQTVQCH-HNNXBMFYSA-N	1	1	350.488	2.272	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC[N@H+]1CCCC1(C)C	ZINC000602951596	553677981	/nfs/dbraw/zinc/67/79/81/553677981.db2.gz	RHHBSMXLTKCUSJ-UHFFFAOYSA-N	1	1	367.457	2.443	20	30		FEEDMO
Cc1cc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ncc1C#N	ZINC000603123125	553712976	/nfs/dbraw/zinc/71/29/76/553712976.db2.gz	XHVVCAVHARALHY-JWTNVVGKSA-N	1	1	368.485	2.036	20	30		FEEDMO
C[NH+]1CCC(CNC(=O)c2cn3c(n2)CCCC3)(N2CCCCC2)CC1	ZINC000328731594	553813665	/nfs/dbraw/zinc/81/36/65/553813665.db2.gz	WZKHROOYBVMSLC-UHFFFAOYSA-N	1	1	359.518	2.474	20	30		FEEDMO
C[C@H]1CN(C(=O)Nc2nccn2-c2ccccc2)C[C@@H]1[NH+]1CCOCC1	ZINC000328748872	553816241	/nfs/dbraw/zinc/81/62/41/553816241.db2.gz	PTXPCQCGOBIDMF-RDJZCZTQSA-N	1	1	355.442	2.070	20	30		FEEDMO
C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O	ZINC000328752693	553816427	/nfs/dbraw/zinc/81/64/27/553816427.db2.gz	RYTSJBZYEPRKTK-SRIISGBFSA-N	1	1	365.518	2.214	20	30		FEEDMO
Cc1cc([C@@H]2CCCN(C(=O)NC[C@]3([NH+](C)C)CCSC3)C2)n[nH]1	ZINC000328758905	553817625	/nfs/dbraw/zinc/81/76/25/553817625.db2.gz	WAPKNPYUZWUALY-RHSMWYFYSA-N	1	1	351.520	2.249	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@H]1C1CCCCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000328764344	553818948	/nfs/dbraw/zinc/81/89/48/553818948.db2.gz	OSEIGGKYEWKZEY-GJZGRUSLSA-N	1	1	371.503	2.089	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O)Nc1nc2c(s1)CCCC2	ZINC000328786130	553822377	/nfs/dbraw/zinc/82/23/77/553822377.db2.gz	KQNNWIHZSSFPNB-BPLDGKMQSA-N	1	1	365.499	2.472	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O)Nc1nc2c(s1)CCCC2	ZINC000328786130	553822378	/nfs/dbraw/zinc/82/23/78/553822378.db2.gz	KQNNWIHZSSFPNB-BPLDGKMQSA-N	1	1	365.499	2.472	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccnn2C)CC[N@H+]1C	ZINC000328821226	553827671	/nfs/dbraw/zinc/82/76/71/553827671.db2.gz	FPQBAHGFBQAKDU-UMHPPVOVSA-N	1	1	373.501	2.301	20	30		FEEDMO
C[C@@H]1CCC[C@@H](CNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1	ZINC000328820520	553828071	/nfs/dbraw/zinc/82/80/71/553828071.db2.gz	PZYQNBGYBMVPPS-IAGOWNOFSA-N	1	1	364.534	2.213	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@H](C3CCOCC3)C2)C1	ZINC000328868096	553835923	/nfs/dbraw/zinc/83/59/23/553835923.db2.gz	XFFAXFLTHUFOFH-ZWKOTPCHSA-N	1	1	353.507	2.006	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cccc3c2OCCO3)C[C@H]1[NH+]1CCOCC1	ZINC000328890459	553839856	/nfs/dbraw/zinc/83/98/56/553839856.db2.gz	ROLAKPHBKAPSFY-GDBMZVCRSA-N	1	1	361.442	2.046	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccc(OC2CCCC2)cc1	ZINC000328901832	553841671	/nfs/dbraw/zinc/84/16/71/553841671.db2.gz	ZOUGBHOJMVQWQX-KRWDZBQOSA-N	1	1	360.502	2.257	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)C[C@@H]1[NH+]1CCOCC1	ZINC000328931541	553847113	/nfs/dbraw/zinc/84/71/13/553847113.db2.gz	HXEUQMBQJRLSDI-NCOADZHNSA-N	1	1	353.507	2.147	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)C1	ZINC000329003269	553862611	/nfs/dbraw/zinc/86/26/11/553862611.db2.gz	YBCMFLIKYNLAFV-QGZVFWFLSA-N	1	1	350.507	2.252	20	30		FEEDMO
CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC000329032698	553868553	/nfs/dbraw/zinc/86/85/53/553868553.db2.gz	QDYRMPCMBOUORP-JFIYKMOQSA-N	1	1	363.506	2.134	20	30		FEEDMO
Cc1nn(C)c(C)c1NC(=O)C[N@H+]1C[C@@H](c2cnn(C(C)C)c2)[C@H](CO)C1	ZINC000329056607	553872555	/nfs/dbraw/zinc/87/25/55/553872555.db2.gz	SRJJXYYPEHTXBG-IRXDYDNUSA-N	1	1	374.489	2.110	20	30		FEEDMO
Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1C[C@@H](c2cnn(C(C)C)c2)[C@H](CO)C1	ZINC000329056607	553872558	/nfs/dbraw/zinc/87/25/58/553872558.db2.gz	SRJJXYYPEHTXBG-IRXDYDNUSA-N	1	1	374.489	2.110	20	30		FEEDMO
C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CCOCC1	ZINC000329111326	553882273	/nfs/dbraw/zinc/88/22/73/553882273.db2.gz	KABNIYZSGZPZDB-LNRIEFBSSA-N	1	1	351.491	2.089	20	30		FEEDMO
O=C(C[N@@H+]1CCCC[C@H]1CN1CCOCC1)Nc1ccc2c(c1)OCO2	ZINC000329236856	553908205	/nfs/dbraw/zinc/90/82/05/553908205.db2.gz	OQBCDVWDZFFBTF-INIZCTEOSA-N	1	1	361.442	2.190	20	30		FEEDMO
O=C(C[N@H+]1CCCC[C@H]1CN1CCOCC1)Nc1ccc2c(c1)OCO2	ZINC000329236856	553908206	/nfs/dbraw/zinc/90/82/06/553908206.db2.gz	OQBCDVWDZFFBTF-INIZCTEOSA-N	1	1	361.442	2.190	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)[C@H]2C1	ZINC000329242004	553909464	/nfs/dbraw/zinc/90/94/64/553909464.db2.gz	AAEHXXAUPFOYNR-LPHOPBHVSA-N	1	1	370.497	2.497	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)[C@@H]2C1	ZINC000329242005	553909502	/nfs/dbraw/zinc/90/95/02/553909502.db2.gz	AAEHXXAUPFOYNR-QFBILLFUSA-N	1	1	370.497	2.497	20	30		FEEDMO
Cc1cc(C)n(-c2ccc(CNC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)cn2)n1	ZINC000329284575	553917848	/nfs/dbraw/zinc/91/78/48/553917848.db2.gz	GDARJCIPXFVRTQ-MRXNPFEDSA-N	1	1	354.458	2.124	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)[C@H]2C1	ZINC000329296262	553919547	/nfs/dbraw/zinc/91/95/47/553919547.db2.gz	STZPWTDYSNWWOH-FMKPAKJESA-N	1	1	363.893	2.254	20	30		FEEDMO
CCc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1	ZINC000329326801	553925890	/nfs/dbraw/zinc/92/58/90/553925890.db2.gz	WVSDKKPHANQTCY-GOSISDBHSA-N	1	1	370.497	2.158	20	30		FEEDMO
C[C@H](NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000329345669	553929290	/nfs/dbraw/zinc/92/92/90/553929290.db2.gz	RATSTKRAPYLTMP-MIALQEHNSA-N	1	1	365.518	2.481	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000329350676	553930164	/nfs/dbraw/zinc/93/01/64/553930164.db2.gz	DIWPSGBWBSDKKA-QXDIGNSFSA-N	1	1	353.507	2.289	20	30		FEEDMO
Cc1nc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)CCO2)no1	ZINC000329357343	553931755	/nfs/dbraw/zinc/93/17/55/553931755.db2.gz	WPGLQVWNQJJHKD-IXDOHACOSA-N	1	1	371.441	2.111	20	30		FEEDMO
CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC(F)(C#N)CC3)c2C1	ZINC000506579537	561702701	/nfs/dbraw/zinc/70/27/01/561702701.db2.gz	LPWKQUBVENEJRE-UHFFFAOYSA-N	1	1	358.417	2.205	20	30		FEEDMO
CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC(F)(C#N)CC3)c2C1	ZINC000506579537	561702702	/nfs/dbraw/zinc/70/27/02/561702702.db2.gz	LPWKQUBVENEJRE-UHFFFAOYSA-N	1	1	358.417	2.205	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1	ZINC000329400030	553939059	/nfs/dbraw/zinc/93/90/59/553939059.db2.gz	YNTKRJRTVAKFQK-IOBOIYPZSA-N	1	1	374.529	2.250	20	30		FEEDMO
CN(C(=O)N[C@H]1CCOC2(CCOCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000329460740	553951104	/nfs/dbraw/zinc/95/11/04/553951104.db2.gz	SFPLPWUCIPOKMA-PMRDEQMMSA-N	1	1	351.491	2.186	20	30		FEEDMO
CC(C)[C@H](NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1nnc2ccccn21	ZINC000329468456	553952290	/nfs/dbraw/zinc/95/22/90/553952290.db2.gz	XIUSPNJDXRRHHV-UXLLHSPISA-N	1	1	356.474	2.366	20	30		FEEDMO
C[N@H+](CC(=O)Nc1cccc2c1CCN2S(C)(=O)=O)[C@H]1CCSC1	ZINC000329469323	553952707	/nfs/dbraw/zinc/95/27/07/553952707.db2.gz	XKKLZGFNTRQQGC-LBPRGKRZSA-N	1	1	369.512	2.034	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1cccc2c1CCN2S(C)(=O)=O)[C@H]1CCSC1	ZINC000329469323	553952709	/nfs/dbraw/zinc/95/27/09/553952709.db2.gz	XKKLZGFNTRQQGC-LBPRGKRZSA-N	1	1	369.512	2.034	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@H]1C	ZINC000329513492	553960760	/nfs/dbraw/zinc/96/07/60/553960760.db2.gz	LMKVFWWWXUVTOQ-HIFRSBDPSA-N	1	1	372.469	2.305	20	30		FEEDMO
Cc1nccc(N2CCN(C(=O)N[C@@H]3CCc4ccccc4C3)CC2)n1	ZINC000329568463	553968683	/nfs/dbraw/zinc/96/86/83/553968683.db2.gz	LNMBHVUCDFBZNA-GOSISDBHSA-N	1	1	351.454	2.379	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)NC[C@@H]1Cc2ccccc2O1	ZINC000329648262	553981827	/nfs/dbraw/zinc/98/18/27/553981827.db2.gz	FBTKHWHMLUJRHO-MSOLQXFVSA-N	1	1	371.481	2.281	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NCc2noc3c2CCCC3)C[C@H]1[NH+]1CCOCC1	ZINC000329708630	553993061	/nfs/dbraw/zinc/99/30/61/553993061.db2.gz	MLYDQTNTCVKAHZ-RHSMWYFYSA-N	1	1	362.474	2.010	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)Nc2ncn(C(C)(C)C)n2)C[N@H+]1Cc1ccccc1	ZINC000329720542	553994963	/nfs/dbraw/zinc/99/49/63/553994963.db2.gz	BRKUBUZEQOODPD-ZBFHGGJFSA-N	1	1	356.474	3.022	20	30		FEEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC1CCN(C(=O)C2CC2)CC1	ZINC000329742780	553998386	/nfs/dbraw/zinc/99/83/86/553998386.db2.gz	PQZVEXXTFZGWLS-QGZVFWFLSA-N	1	1	350.507	2.108	20	30		FEEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC1CCN(C(=O)C2CC2)CC1	ZINC000329742779	553998489	/nfs/dbraw/zinc/99/84/89/553998489.db2.gz	PQZVEXXTFZGWLS-KRWDZBQOSA-N	1	1	350.507	2.108	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)N3CC[C@H](CCO)C3)CC2)oc1C	ZINC000329792767	554006814	/nfs/dbraw/zinc/00/68/14/554006814.db2.gz	FMAFKKZCOPACJH-QGZVFWFLSA-N	1	1	364.490	2.122	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)CC[N@H+]1C	ZINC000329800657	554008566	/nfs/dbraw/zinc/00/85/66/554008566.db2.gz	IUAWODNSWYYWEQ-NVXWUHKLSA-N	1	1	350.507	2.108	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1	ZINC000329803899	554009116	/nfs/dbraw/zinc/00/91/16/554009116.db2.gz	JYSCJQLVGYYQTE-STQMWFEESA-N	1	1	373.457	2.296	20	30		FEEDMO
CC1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1	ZINC000329818487	554011484	/nfs/dbraw/zinc/01/14/84/554011484.db2.gz	XEXZIRSFKJNBHF-FUHWJXTLSA-N	1	1	364.534	2.354	20	30		FEEDMO
O=C(NCCOC1CCCCC1)N1CCCC[C@H]1C[NH+]1CCOCC1	ZINC000329829993	554014395	/nfs/dbraw/zinc/01/43/95/554014395.db2.gz	SHOBVCBEZOZDKC-KRWDZBQOSA-N	1	1	353.507	2.436	20	30		FEEDMO
C[C@H](c1nccs1)N1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1	ZINC000329882208	554023857	/nfs/dbraw/zinc/02/38/57/554023857.db2.gz	POUMEGVBWYFKDV-FMKPAKJESA-N	1	1	363.531	2.218	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCn3ncnc3C2)CC[N@H+]1Cc1ccccc1	ZINC000329952429	554037735	/nfs/dbraw/zinc/03/77/35/554037735.db2.gz	IUOFZKOCZZECKX-NVXWUHKLSA-N	1	1	354.458	2.061	20	30		FEEDMO
CN(Cc1ccccc1NC(=O)[C@H]1CCCN1C)C(=O)[C@H]1CCC[N@H+]1C	ZINC000329959220	554038932	/nfs/dbraw/zinc/03/89/32/554038932.db2.gz	QMKDHWJGLHBBRT-QZTJIDSGSA-N	1	1	358.486	2.421	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@@H](C)C1	ZINC000507380561	561727088	/nfs/dbraw/zinc/72/70/88/561727088.db2.gz	LBMAXUOKNLYSQJ-GJZGRUSLSA-N	1	1	374.510	2.429	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)[C@@H](C)C1	ZINC000507380561	561727089	/nfs/dbraw/zinc/72/70/89/561727089.db2.gz	LBMAXUOKNLYSQJ-GJZGRUSLSA-N	1	1	374.510	2.429	20	30		FEEDMO
CC(=O)N1CCC[C@H](CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1	ZINC000329989314	554044920	/nfs/dbraw/zinc/04/49/20/554044920.db2.gz	HYCSZFKPIUVGJW-NVXWUHKLSA-N	1	1	352.523	2.259	20	30		FEEDMO
CN(C)c1ncn(-c2cccc(NC(=O)N3CC[N@H+]4CCCC[C@@H]4C3)c2)n1	ZINC000330013672	554049411	/nfs/dbraw/zinc/04/94/11/554049411.db2.gz	MJFWGINSGHBTLI-QGZVFWFLSA-N	1	1	369.473	2.049	20	30		FEEDMO
COCC[N@@H+]1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C[C@H]1C	ZINC000330017796	554049979	/nfs/dbraw/zinc/04/99/79/554049979.db2.gz	RTGCGTDVVNVMNI-ODIFPOPNSA-N	1	1	351.491	2.091	20	30		FEEDMO
COCC[N@H+]1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C[C@H]1C	ZINC000330017796	554049981	/nfs/dbraw/zinc/04/99/81/554049981.db2.gz	RTGCGTDVVNVMNI-ODIFPOPNSA-N	1	1	351.491	2.091	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1	ZINC000330094097	554063398	/nfs/dbraw/zinc/06/33/98/554063398.db2.gz	SJTOPMXDTMDZEP-INIZCTEOSA-N	1	1	374.533	2.440	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)[C@@H]1OC	ZINC000330127576	554069330	/nfs/dbraw/zinc/06/93/30/554069330.db2.gz	MYTBFPKMUPYKDI-DEORAPPZSA-N	1	1	351.491	2.042	20	30		FEEDMO
O=C(N[C@@H]1CCn2ccnc2C1)N1CCN(c2nc3ccccc3o2)CC1	ZINC000330192543	554081664	/nfs/dbraw/zinc/08/16/64/554081664.db2.gz	NUVVNJOZVRYGFH-CQSZACIVSA-N	1	1	366.425	2.075	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2nc3ccccc3o2)CC1	ZINC000330192543	554081667	/nfs/dbraw/zinc/08/16/67/554081667.db2.gz	NUVVNJOZVRYGFH-CQSZACIVSA-N	1	1	366.425	2.075	20	30		FEEDMO
CC(C)N1C[C@H](NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1=O	ZINC000330257988	554094642	/nfs/dbraw/zinc/09/46/42/554094642.db2.gz	RAQQHQCXKZPNEU-QZTJIDSGSA-N	1	1	358.486	2.164	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	ZINC000330261778	554095344	/nfs/dbraw/zinc/09/53/44/554095344.db2.gz	PIXASAAHBKHGHG-DZJNRPSUSA-N	1	1	363.502	2.043	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	ZINC000330261779	554095379	/nfs/dbraw/zinc/09/53/79/554095379.db2.gz	PIXASAAHBKHGHG-OWLYRPNTSA-N	1	1	363.502	2.043	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCOC2(CCOCC2)C1	ZINC000330268384	554096362	/nfs/dbraw/zinc/09/63/62/554096362.db2.gz	RDOZCPDMBKMFNL-IKGGRYGDSA-N	1	1	353.507	2.339	20	30		FEEDMO
C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)C1	ZINC000330286355	554099775	/nfs/dbraw/zinc/09/97/75/554099775.db2.gz	ZSZBKELMRMBFBZ-JENIJYKNSA-N	1	1	350.434	2.187	20	30		FEEDMO
C[N@H+]1CCO[C@H](C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)C1	ZINC000330286355	554099776	/nfs/dbraw/zinc/09/97/76/554099776.db2.gz	ZSZBKELMRMBFBZ-JENIJYKNSA-N	1	1	350.434	2.187	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1	ZINC000330306738	554102842	/nfs/dbraw/zinc/10/28/42/554102842.db2.gz	RRBFUGWLVGISHB-ATZDWAIDSA-N	1	1	359.470	2.416	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)C1	ZINC000330355270	554110693	/nfs/dbraw/zinc/11/06/93/554110693.db2.gz	QLJFNYGVPDPHNW-BQFCYCMXSA-N	1	1	363.506	2.102	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C(=O)OC(C)(C)C)CC1	ZINC000330492330	554128894	/nfs/dbraw/zinc/12/88/94/554128894.db2.gz	QTQZZWUMEXLIQW-GFCCVEGCSA-N	1	1	355.479	2.257	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)n1	ZINC000330659737	554152179	/nfs/dbraw/zinc/15/21/79/554152179.db2.gz	ROKAAHADCVGOJA-LSBZLQRGSA-N	1	1	360.506	2.050	20	30		FEEDMO
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C	ZINC000330883357	554183026	/nfs/dbraw/zinc/18/30/26/554183026.db2.gz	JTPUPJCJALZPRT-KBPBESRZSA-N	1	1	362.474	2.357	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000330913674	554187549	/nfs/dbraw/zinc/18/75/49/554187549.db2.gz	RRRSAARUGJIXMX-ZNMIVQPWSA-N	1	1	367.490	2.483	20	30		FEEDMO
CC(C)CNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O	ZINC000330915036	554188013	/nfs/dbraw/zinc/18/80/13/554188013.db2.gz	JPANFDYLQPKRJM-YYIAUSFCSA-N	1	1	353.507	2.324	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H](C2CCCC2)C(F)(F)F)[C@@H](C)C1	ZINC000331188712	554228361	/nfs/dbraw/zinc/22/83/61/554228361.db2.gz	PUZAVLNQNYLDCF-SGMGOOAPSA-N	1	1	351.413	2.408	20	30		FEEDMO
Cc1c(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cccc1S(N)(=O)=O	ZINC000331301082	554244037	/nfs/dbraw/zinc/24/40/37/554244037.db2.gz	RIQAWCJUTWKCBZ-UHFFFAOYSA-N	1	1	353.488	2.069	20	30		FEEDMO
C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[NH+](C2CC2)CC1	ZINC000508824430	561773999	/nfs/dbraw/zinc/77/39/99/561773999.db2.gz	BWQFUPGEHTUVAX-GOSISDBHSA-N	1	1	351.454	2.425	20	30		FEEDMO
COc1cc(C)c(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1OC	ZINC000331308332	554245236	/nfs/dbraw/zinc/24/52/36/554245236.db2.gz	XCRWYIIEAGXRMV-AWEZNQCLSA-N	1	1	365.474	2.335	20	30		FEEDMO
C=CCn1c(C)nnc1N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1	ZINC000508829077	561774327	/nfs/dbraw/zinc/77/43/27/561774327.db2.gz	XPROTCFOIONUDO-UHFFFAOYSA-N	1	1	357.458	2.112	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2C[C@@H](F)C[C@H]2CO)sc2c1CCCC2	ZINC000331445657	554265676	/nfs/dbraw/zinc/26/56/76/554265676.db2.gz	IQOGLIKDCRGRJE-RYUDHWBXSA-N	1	1	351.447	2.232	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H](F)C[C@H]2CO)sc2c1CCCC2	ZINC000331445657	554265677	/nfs/dbraw/zinc/26/56/77/554265677.db2.gz	IQOGLIKDCRGRJE-RYUDHWBXSA-N	1	1	351.447	2.232	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000508964733	561779482	/nfs/dbraw/zinc/77/94/82/561779482.db2.gz	VDWNBSISORUFTH-KRWDZBQOSA-N	1	1	372.469	2.275	20	30		FEEDMO
Cc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)o1	ZINC000332040343	554368658	/nfs/dbraw/zinc/36/86/58/554368658.db2.gz	UMPFXGFQNHBCAJ-MSOLQXFVSA-N	1	1	358.486	2.417	20	30		FEEDMO
Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)o1	ZINC000332040343	554368661	/nfs/dbraw/zinc/36/86/61/554368661.db2.gz	UMPFXGFQNHBCAJ-MSOLQXFVSA-N	1	1	358.486	2.417	20	30		FEEDMO
Cn1cc[nH+]c1N1CCN(C(=O)c2cccc(C#N)c2Br)CC1	ZINC000332456729	554448998	/nfs/dbraw/zinc/44/89/98/554448998.db2.gz	NWFXNTCEQOHGTD-UHFFFAOYSA-N	1	1	374.242	2.017	20	30		FEEDMO
C[C@@](C#N)(NC(=O)CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1	ZINC000332687084	554496665	/nfs/dbraw/zinc/49/66/65/554496665.db2.gz	ODBSEGCBCGQYRI-YWZLYKJASA-N	1	1	355.486	2.207	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N([C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1=O	ZINC000348577014	554689214	/nfs/dbraw/zinc/68/92/14/554689214.db2.gz	LKGBJUOJTBQGLZ-MSOLQXFVSA-N	1	1	359.470	2.266	20	30		FEEDMO
CN(C)C(=O)CC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1	ZINC000511172710	561860071	/nfs/dbraw/zinc/86/00/71/561860071.db2.gz	LKZBHLDFWUEKDH-UHFFFAOYSA-N	1	1	353.426	2.299	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1	ZINC000360383535	554872804	/nfs/dbraw/zinc/87/28/04/554872804.db2.gz	CLOWZSCKPXHWJL-GOSISDBHSA-N	1	1	355.463	2.292	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@H](Cc3ccncc3)C2)c1	ZINC000360383535	554872805	/nfs/dbraw/zinc/87/28/05/554872805.db2.gz	CLOWZSCKPXHWJL-GOSISDBHSA-N	1	1	355.463	2.292	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1	ZINC000361479424	554921310	/nfs/dbraw/zinc/92/13/10/554921310.db2.gz	UIAFPDPAWPWEGC-ZYSHUDEJSA-N	1	1	369.465	2.133	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@H](O)COCc1ccccc1	ZINC000511618784	561874813	/nfs/dbraw/zinc/87/48/13/561874813.db2.gz	SQBXEROOQBSLHM-KRWDZBQOSA-N	1	1	373.478	2.458	20	30		FEEDMO
C=CCc1ccc(OCC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c(OC)c1	ZINC000362719876	554983726	/nfs/dbraw/zinc/98/37/26/554983726.db2.gz	PMSAVFNPBNGRKX-ZWKOTPCHSA-N	1	1	374.481	2.172	20	30		FEEDMO
C=CCc1ccc(OCC(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c(OC)c1	ZINC000362719876	554983728	/nfs/dbraw/zinc/98/37/28/554983728.db2.gz	PMSAVFNPBNGRKX-ZWKOTPCHSA-N	1	1	374.481	2.172	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000362971806	555004433	/nfs/dbraw/zinc/00/44/33/555004433.db2.gz	YXUDMVFURRREMY-OALUTQOASA-N	1	1	356.470	2.343	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000363082129	555026525	/nfs/dbraw/zinc/02/65/25/555026525.db2.gz	WZMYYGJREXHRAN-CHWSQXEVSA-N	1	1	350.850	2.076	20	30		FEEDMO
N#Cc1cccc(CNC(=O)CN2CCC[N@@H+](Cc3ccccc3)CC2)c1	ZINC000363085615	555027159	/nfs/dbraw/zinc/02/71/59/555027159.db2.gz	ZIUWIDGOCICZKE-UHFFFAOYSA-N	1	1	362.477	2.382	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1C	ZINC000363219851	555057199	/nfs/dbraw/zinc/05/71/99/555057199.db2.gz	WNCOQOVRPSUOMG-IBGZPJMESA-N	1	1	358.530	2.185	20	30		FEEDMO
Cc1cccc(NC2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)[nH+]1	ZINC000363244280	555062188	/nfs/dbraw/zinc/06/21/88/555062188.db2.gz	IEYUAQXCKCHBAR-UHFFFAOYSA-N	1	1	363.465	2.454	20	30		FEEDMO
C[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)C[NH+]1CCOCC1	ZINC000363293012	555072581	/nfs/dbraw/zinc/07/25/81/555072581.db2.gz	SEENHRXCWQPRFB-RLLQIKCJSA-N	1	1	370.497	2.436	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(Cc2ncc(Cl)n2C)CC1	ZINC000363451766	555108540	/nfs/dbraw/zinc/10/85/40/555108540.db2.gz	XDVIVOHFPHXXRU-UHFFFAOYSA-N	1	1	367.925	2.006	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(Cc2ncc(Cl)n2C)CC1	ZINC000363451766	555108541	/nfs/dbraw/zinc/10/85/41/555108541.db2.gz	XDVIVOHFPHXXRU-UHFFFAOYSA-N	1	1	367.925	2.006	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cnc3ccccc32)C1	ZINC000363510335	555123891	/nfs/dbraw/zinc/12/38/91/555123891.db2.gz	NKOVAQDZEBFIRV-HUUCEWRRSA-N	1	1	355.442	2.074	20	30		FEEDMO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)CC1	ZINC000363764212	555181055	/nfs/dbraw/zinc/18/10/55/555181055.db2.gz	USWJKQFLZQXDKH-QGZVFWFLSA-N	1	1	370.497	2.000	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)CC1	ZINC000363764212	555181056	/nfs/dbraw/zinc/18/10/56/555181056.db2.gz	USWJKQFLZQXDKH-QGZVFWFLSA-N	1	1	370.497	2.000	20	30		FEEDMO
C=CCC(CC=C)C(=O)NCc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1	ZINC000363938593	555217817	/nfs/dbraw/zinc/21/78/17/555217817.db2.gz	OWVPNPYHPIINFR-UHFFFAOYSA-N	1	1	359.518	2.255	20	30		FEEDMO
COC(=O)c1cn([C@@H]2CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)nn1	ZINC000363999326	555230559	/nfs/dbraw/zinc/23/05/59/555230559.db2.gz	JGDMWYNJSGEHAP-MRXNPFEDSA-N	1	1	369.425	2.042	20	30		FEEDMO
Cc1c(C(=O)N[C@@](C)(C#N)C(C)C)nnn1-c1cccc2c1CC[N@@H+](C)C2	ZINC000364168744	555262091	/nfs/dbraw/zinc/26/20/91/555262091.db2.gz	RMLPCZKOCUOPGR-FQEVSTJZSA-N	1	1	366.469	2.232	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1	ZINC000364544618	555334088	/nfs/dbraw/zinc/33/40/88/555334088.db2.gz	LHHYROFJVRJYSL-XOPIFYDTSA-N	1	1	359.470	2.286	20	30		FEEDMO
C=C(C)CN(Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CC[NH+](CC)CC1	ZINC000512516190	561908087	/nfs/dbraw/zinc/90/80/87/561908087.db2.gz	BPTZNGVZDMCVPR-GOSISDBHSA-N	1	1	361.534	2.395	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCCN(c4ccccc4C#N)C3)[C@@H]2C1	ZINC000364990310	555458306	/nfs/dbraw/zinc/45/83/06/555458306.db2.gz	WLBRYUXFCPDENO-IMFGXOCKSA-N	1	1	367.497	2.263	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4C#N)C3)[C@@H]2C1	ZINC000364990313	555459261	/nfs/dbraw/zinc/45/92/61/555459261.db2.gz	WLBRYUXFCPDENO-YVWKXTFCSA-N	1	1	367.497	2.263	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1OC	ZINC000365337606	555547002	/nfs/dbraw/zinc/54/70/02/555547002.db2.gz	CVLXNRZJXGHJSZ-GOSISDBHSA-N	1	1	373.497	2.112	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)c2ccc(CC#N)cc2)[C@H](c2ccccc2)C1	ZINC000366953598	555981361	/nfs/dbraw/zinc/98/13/61/555981361.db2.gz	GMDFFVVPXZEFIN-NRFANRHFSA-N	1	1	362.477	2.471	20	30		FEEDMO
C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ccc4cc(C#N)ccc4n3)C2)CC1	ZINC000367376396	556032434	/nfs/dbraw/zinc/03/24/34/556032434.db2.gz	DBDTUSDTHBDNFZ-GOSISDBHSA-N	1	1	363.465	2.097	20	30		FEEDMO
C[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[N@@H+]1C1CCN(C)CC1	ZINC000367454275	556054253	/nfs/dbraw/zinc/05/42/53/556054253.db2.gz	NZGHKQOCLPSXLN-LXXRFIIISA-N	1	1	352.482	2.198	20	30		FEEDMO
C[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[N@H+]1C1CCN(C)CC1	ZINC000367454275	556054256	/nfs/dbraw/zinc/05/42/56/556054256.db2.gz	NZGHKQOCLPSXLN-LXXRFIIISA-N	1	1	352.482	2.198	20	30		FEEDMO
N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)n2)c(F)c1	ZINC000367804527	556143453	/nfs/dbraw/zinc/14/34/53/556143453.db2.gz	UTRYOCPZXWVSRE-CABCVRRESA-N	1	1	368.416	2.631	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@H]21	ZINC000367843985	556152384	/nfs/dbraw/zinc/15/23/84/556152384.db2.gz	RLQDHHXZUOPAMX-GPMSIDNRSA-N	1	1	356.445	2.076	20	30		FEEDMO
C=CCN(C(=O)C[C@H]1CCCC(=O)N1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000367953955	556181749	/nfs/dbraw/zinc/18/17/49/556181749.db2.gz	YFNBQTCYQSPMFB-RTBURBONSA-N	1	1	355.482	2.334	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](n3cncn3)C2)ccc1Cl	ZINC000368411773	556300322	/nfs/dbraw/zinc/30/03/22/556300322.db2.gz	PDPZUBZVSYPVIK-INIZCTEOSA-N	1	1	372.860	2.434	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](n3cncn3)C2)ccc1Cl	ZINC000368411773	556300325	/nfs/dbraw/zinc/30/03/25/556300325.db2.gz	PDPZUBZVSYPVIK-INIZCTEOSA-N	1	1	372.860	2.434	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N	ZINC000368664017	556378536	/nfs/dbraw/zinc/37/85/36/556378536.db2.gz	SYGSGPSIMJEJCF-HZPDHXFCSA-N	1	1	360.483	2.424	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCCCNC1=O	ZINC000368891370	556440515	/nfs/dbraw/zinc/44/05/15/556440515.db2.gz	DBQGATORWVBOAG-OAHLLOKOSA-N	1	1	374.510	2.428	20	30		FEEDMO
C=CCN(C(=O)N[C@H](C)c1nncn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000368924142	556449773	/nfs/dbraw/zinc/44/97/73/556449773.db2.gz	HWWFTGKTLBSHQQ-SJLPKXTDSA-N	1	1	368.485	2.348	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1	ZINC000368976505	556465510	/nfs/dbraw/zinc/46/55/10/556465510.db2.gz	WVMFRFIHZWIKOS-CAMMJAKZSA-N	1	1	368.481	2.216	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1	ZINC000368976505	556465512	/nfs/dbraw/zinc/46/55/12/556465512.db2.gz	WVMFRFIHZWIKOS-CAMMJAKZSA-N	1	1	368.481	2.216	20	30		FEEDMO
N#Cc1cccc(CCNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c1	ZINC000369161851	556521689	/nfs/dbraw/zinc/52/16/89/556521689.db2.gz	GCRVZOJYFZDGAO-RBUKOAKNSA-N	1	1	356.470	2.043	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3c[nH]c4ccccc34)CC2)C1=O	ZINC000369193482	556531612	/nfs/dbraw/zinc/53/16/12/556531612.db2.gz	LCUXTIHCUJDRLH-LJQANCHMSA-N	1	1	366.465	2.103	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3c[nH]c4ccccc34)CC2)C1=O	ZINC000369193482	556531616	/nfs/dbraw/zinc/53/16/16/556531616.db2.gz	LCUXTIHCUJDRLH-LJQANCHMSA-N	1	1	366.465	2.103	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1	ZINC000369392460	556588527	/nfs/dbraw/zinc/58/85/27/556588527.db2.gz	AIEICOMPFPASPT-IBGZPJMESA-N	1	1	372.513	2.173	20	30		FEEDMO
C[N@H+]1CC[C@H](CNC(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1cccc(Cl)c1	ZINC000369403173	556592441	/nfs/dbraw/zinc/59/24/41/556592441.db2.gz	UNMNSGRFKPLFNM-OIISXLGYSA-N	1	1	362.861	2.267	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1=O	ZINC000369855753	556713709	/nfs/dbraw/zinc/71/37/09/556713709.db2.gz	JDNDOYBWEKIBBG-MOPGFXCFSA-N	1	1	370.497	2.079	20	30		FEEDMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000370001283	556754534	/nfs/dbraw/zinc/75/45/34/556754534.db2.gz	ZTONEQLVWJELIP-ZFWWWQNUSA-N	1	1	368.416	2.583	20	30		FEEDMO
Cc1nnc([C@@H]2CC23CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC3)o1	ZINC000370812435	556975864	/nfs/dbraw/zinc/97/58/64/556975864.db2.gz	VSKULZDXMWTYON-KRWDZBQOSA-N	1	1	365.437	2.136	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)C1	ZINC000370879731	557000087	/nfs/dbraw/zinc/00/00/87/557000087.db2.gz	XZXUPKSGCXJAOQ-PMACEKPBSA-N	1	1	369.513	2.453	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000370902848	557008863	/nfs/dbraw/zinc/00/88/63/557008863.db2.gz	CWSZZJATTQGEGE-RTBURBONSA-N	1	1	366.465	2.140	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000370902848	557008866	/nfs/dbraw/zinc/00/88/66/557008866.db2.gz	CWSZZJATTQGEGE-RTBURBONSA-N	1	1	366.465	2.140	20	30		FEEDMO
CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000371160610	557093661	/nfs/dbraw/zinc/09/36/61/557093661.db2.gz	NSBGCNLTWNVRJK-XEWABKELSA-N	1	1	365.437	2.060	20	30		FEEDMO
CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000371160610	557093664	/nfs/dbraw/zinc/09/36/64/557093664.db2.gz	NSBGCNLTWNVRJK-XEWABKELSA-N	1	1	365.437	2.060	20	30		FEEDMO
N#Cc1cccc([C@H]2CN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CCO2)c1	ZINC000371283713	557130652	/nfs/dbraw/zinc/13/06/52/557130652.db2.gz	LOXDJHZWJQMIAM-QFBILLFUSA-N	1	1	354.454	2.125	20	30		FEEDMO
CN(C)C(=O)CC[NH+]1CCC(NCc2cccc(OCCCC#N)c2)CC1	ZINC000517559281	562092444	/nfs/dbraw/zinc/09/24/44/562092444.db2.gz	UMNZYDPBCSAHMF-UHFFFAOYSA-N	1	1	372.513	2.401	20	30		FEEDMO
Cc1cc(=NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)[nH]n1CCC#N	ZINC000371520310	557208426	/nfs/dbraw/zinc/20/84/26/557208426.db2.gz	RXKWBEZTTDOKAB-UHFFFAOYSA-N	1	1	367.457	2.599	20	30		FEEDMO
C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CCN(C(=O)c2ccccc2)CC1	ZINC000518187986	562106063	/nfs/dbraw/zinc/10/60/63/562106063.db2.gz	SSOGAZGHLZXPQD-UHFFFAOYSA-N	1	1	374.448	2.338	20	30		FEEDMO
C=CCn1c(CC2CCCC2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1	ZINC000518442900	562111551	/nfs/dbraw/zinc/11/15/51/562111551.db2.gz	BSCDIOSSDBISKV-LJQANCHMSA-N	1	1	372.561	2.413	20	30		FEEDMO
COc1ccccc1N1CC[C@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000372197987	557406817	/nfs/dbraw/zinc/40/68/17/557406817.db2.gz	VDNOMRQOTASHJW-HRAATJIYSA-N	1	1	370.497	2.404	20	30		FEEDMO
COc1ccccc1N1CC[C@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000372197987	557406818	/nfs/dbraw/zinc/40/68/18/557406818.db2.gz	VDNOMRQOTASHJW-HRAATJIYSA-N	1	1	370.497	2.404	20	30		FEEDMO
N#CCCCOc1cccc(CN2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1	ZINC000372397557	557460507	/nfs/dbraw/zinc/46/05/07/557460507.db2.gz	FHHAEAYWLWUUST-HXUWFJFHSA-N	1	1	370.497	2.155	20	30		FEEDMO
C=CCN(C(=O)CSc1nncn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372603423	557518051	/nfs/dbraw/zinc/51/80/51/557518051.db2.gz	ZEVKHPFNVOOGDG-KRWDZBQOSA-N	1	1	371.510	2.196	20	30		FEEDMO
C=CCN(C(=O)CSc1nncn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372603424	557518456	/nfs/dbraw/zinc/51/84/56/557518456.db2.gz	ZEVKHPFNVOOGDG-QGZVFWFLSA-N	1	1	371.510	2.196	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)n1	ZINC000372640583	557527313	/nfs/dbraw/zinc/52/73/13/557527313.db2.gz	OXVQDTWTZKEEDB-KRWDZBQOSA-N	1	1	363.425	2.481	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)n1	ZINC000372640583	557527314	/nfs/dbraw/zinc/52/73/14/557527314.db2.gz	OXVQDTWTZKEEDB-KRWDZBQOSA-N	1	1	363.425	2.481	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2CC)c1	ZINC000372672462	557534070	/nfs/dbraw/zinc/53/40/70/557534070.db2.gz	XYFJDCNQEIPAMS-QGZVFWFLSA-N	1	1	350.422	2.057	20	30		FEEDMO
CCN1CCO[C@@H](C[NH+]2CCN(CC#Cc3ccc(Cl)cc3)CC2)C1	ZINC000372700134	557541886	/nfs/dbraw/zinc/54/18/86/557541886.db2.gz	IAAACGRKVSFMFU-HXUWFJFHSA-N	1	1	361.917	2.030	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](CN2CCN(CC#Cc3ccc(Cl)cc3)CC2)C1	ZINC000372700134	557541890	/nfs/dbraw/zinc/54/18/90/557541890.db2.gz	IAAACGRKVSFMFU-HXUWFJFHSA-N	1	1	361.917	2.030	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](CN2CCN(CC#Cc3ccc(Cl)cc3)CC2)C1	ZINC000372700134	557541893	/nfs/dbraw/zinc/54/18/93/557541893.db2.gz	IAAACGRKVSFMFU-HXUWFJFHSA-N	1	1	361.917	2.030	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1	ZINC000372760990	557556913	/nfs/dbraw/zinc/55/69/13/557556913.db2.gz	YNDGIWMHSZVVGU-LJQANCHMSA-N	1	1	367.493	2.179	20	30		FEEDMO
CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1	ZINC000372811837	557567185	/nfs/dbraw/zinc/56/71/85/557567185.db2.gz	LFDOHGCADADLOU-MRXNPFEDSA-N	1	1	370.457	2.026	20	30		FEEDMO
CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1	ZINC000372811837	557567186	/nfs/dbraw/zinc/56/71/86/557567186.db2.gz	LFDOHGCADADLOU-MRXNPFEDSA-N	1	1	370.457	2.026	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O	ZINC000372900037	557584589	/nfs/dbraw/zinc/58/45/89/557584589.db2.gz	AWBUUSGSFHTRRK-KWLPKCRUSA-N	1	1	374.529	2.250	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](n2ccnn2)C1	ZINC000519768434	562143286	/nfs/dbraw/zinc/14/32/86/562143286.db2.gz	XHIXICCCEMQJPF-SWLSCSKDSA-N	1	1	358.833	2.467	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](n2ccnn2)C1	ZINC000519768434	562143287	/nfs/dbraw/zinc/14/32/87/562143287.db2.gz	XHIXICCCEMQJPF-SWLSCSKDSA-N	1	1	358.833	2.467	20	30		FEEDMO
C=CCNC(=O)CNC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1	ZINC000373185732	557646428	/nfs/dbraw/zinc/64/64/28/557646428.db2.gz	LBHYPORCVPXYRZ-MOPGFXCFSA-N	1	1	370.497	2.127	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)NCC2CCN(c3ccccc3C#N)CC2)CC1	ZINC000373216149	557651761	/nfs/dbraw/zinc/65/17/61/557651761.db2.gz	LWMDKRJIKSPXAF-UHFFFAOYSA-N	1	1	367.497	2.336	20	30		FEEDMO
O=C(C[N@@H+]1CC[C@@](O)(C2CC2)C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000373237917	557655760	/nfs/dbraw/zinc/65/57/60/557655760.db2.gz	WCGWHDOKADNNBW-SFHVURJKSA-N	1	1	366.383	2.020	20	30		FEEDMO
Cc1cc(=NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]n1CCC#N	ZINC000373410791	557688751	/nfs/dbraw/zinc/68/87/51/557688751.db2.gz	CKPYDVAUDPOPNV-SFHVURJKSA-N	1	1	366.469	2.749	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000373700197	557741277	/nfs/dbraw/zinc/74/12/77/557741277.db2.gz	LSGCVXREKOXSAT-VQIMIIECSA-N	1	1	368.481	2.040	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1	ZINC000374456262	557886393	/nfs/dbraw/zinc/88/63/93/557886393.db2.gz	KALRESBLJVKCKG-HOTGVXAUSA-N	1	1	367.519	2.370	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)CCCCC1	ZINC000374553272	557898943	/nfs/dbraw/zinc/89/89/43/557898943.db2.gz	XTJSJILLTJQKAG-INIZCTEOSA-N	1	1	372.469	2.064	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)CCCCC1	ZINC000374553272	557898944	/nfs/dbraw/zinc/89/89/44/557898944.db2.gz	XTJSJILLTJQKAG-INIZCTEOSA-N	1	1	372.469	2.064	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000374587957	557903076	/nfs/dbraw/zinc/90/30/76/557903076.db2.gz	YKVTVWCOLWYRDP-GVDBMIGSSA-N	1	1	356.536	2.052	20	30		FEEDMO
CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](CCCSCC#N)C1	ZINC000374776526	557929685	/nfs/dbraw/zinc/92/96/85/557929685.db2.gz	FUWAYYYEYYYCGL-CYBMUJFWSA-N	1	1	350.492	2.377	20	30		FEEDMO
Cn1cc([C@@H]2[C@H](CNC(=O)N3CCC(C)(C#N)CC3)CCC[N@H+]2C)cn1	ZINC000374804763	557934223	/nfs/dbraw/zinc/93/42/23/557934223.db2.gz	DHARSUIESADFAI-RDJZCZTQSA-N	1	1	358.490	2.138	20	30		FEEDMO
Cn1cc([C@@H]2[C@@H](CNC(=O)N3CCC(C)(C#N)CC3)CCC[N@H+]2C)cn1	ZINC000374804764	557934310	/nfs/dbraw/zinc/93/43/10/557934310.db2.gz	DHARSUIESADFAI-WBVHZDCISA-N	1	1	358.490	2.138	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C[C@H]21	ZINC000375018185	557964792	/nfs/dbraw/zinc/96/47/92/557964792.db2.gz	IULDCJLKDGWDPJ-CRAIPNDOSA-N	1	1	354.454	2.220	20	30		FEEDMO
Cn1cc([C@@H]2[C@H](CNC(=O)c3ccc(F)c(C#N)c3)CCC[N@H+]2C)cn1	ZINC000375104893	557978531	/nfs/dbraw/zinc/97/85/31/557978531.db2.gz	JCLXTWKMYXHOOB-KSSFIOAISA-N	1	1	355.417	2.244	20	30		FEEDMO
CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2cccc(Br)c2)C1	ZINC000375234036	557996043	/nfs/dbraw/zinc/99/60/43/557996043.db2.gz	OPDQUJHVLZFJKZ-HUUCEWRRSA-N	1	1	366.259	2.239	20	30		FEEDMO
CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H](C#N)c2cccc(Br)c2)C1	ZINC000375234036	557996045	/nfs/dbraw/zinc/99/60/45/557996045.db2.gz	OPDQUJHVLZFJKZ-HUUCEWRRSA-N	1	1	366.259	2.239	20	30		FEEDMO
Cc1ncccc1O[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000375457484	558030738	/nfs/dbraw/zinc/03/07/38/558030738.db2.gz	JZJYHYUUPQCYNB-MJGOQNOKSA-N	1	1	353.422	2.155	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)C1=O	ZINC000375595322	558054576	/nfs/dbraw/zinc/05/45/76/558054576.db2.gz	GYXADFOATZQXMH-ZIAGYGMSSA-N	1	1	355.360	2.340	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)C1=O	ZINC000375595322	558054577	/nfs/dbraw/zinc/05/45/77/558054577.db2.gz	GYXADFOATZQXMH-ZIAGYGMSSA-N	1	1	355.360	2.340	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000375699260	558069434	/nfs/dbraw/zinc/06/94/34/558069434.db2.gz	XHDABAAGTMOHIU-MRXNPFEDSA-N	1	1	356.536	2.053	20	30		FEEDMO
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[N@@H+]2CCOC[C@@H]2C1	ZINC000375853863	558089246	/nfs/dbraw/zinc/08/92/46/558089246.db2.gz	ZXFRUYUQGWCJLZ-ZDUSSCGKSA-N	1	1	360.364	2.229	20	30		FEEDMO
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[N@H+]2CCOC[C@@H]2C1	ZINC000375853863	558089247	/nfs/dbraw/zinc/08/92/47/558089247.db2.gz	ZXFRUYUQGWCJLZ-ZDUSSCGKSA-N	1	1	360.364	2.229	20	30		FEEDMO
CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccnc1C#N	ZINC000376973542	558246526	/nfs/dbraw/zinc/24/65/26/558246526.db2.gz	WKAHRVQSZVMKAY-QGZVFWFLSA-N	1	1	370.478	2.238	20	30		FEEDMO
CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccnc1C#N	ZINC000376973542	558246528	/nfs/dbraw/zinc/24/65/28/558246528.db2.gz	WKAHRVQSZVMKAY-QGZVFWFLSA-N	1	1	370.478	2.238	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(C(=O)COc3ccccc3)CC2)cc1C#N	ZINC000377195632	558285819	/nfs/dbraw/zinc/28/58/19/558285819.db2.gz	LBQYHPPUPADNDX-UHFFFAOYSA-N	1	1	352.438	2.010	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)COc3ccccc3)CC2)cc1C#N	ZINC000377195632	558285821	/nfs/dbraw/zinc/28/58/21/558285821.db2.gz	LBQYHPPUPADNDX-UHFFFAOYSA-N	1	1	352.438	2.010	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000377211339	558289406	/nfs/dbraw/zinc/28/94/06/558289406.db2.gz	CSRXJRUBEBMTBU-NJYVYQBISA-N	1	1	369.509	2.252	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC1(C#N)CCCCC1	ZINC000377562397	558364922	/nfs/dbraw/zinc/36/49/22/558364922.db2.gz	DWHGZDYAMRCSCZ-CGTJXYLNSA-N	1	1	360.502	2.193	20	30		FEEDMO
Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNc1cccc(F)c1C#N	ZINC000377618695	558378132	/nfs/dbraw/zinc/37/81/32/558378132.db2.gz	BBNHKSSBUJGAOW-UHFFFAOYSA-N	1	1	356.449	2.493	20	30		FEEDMO
CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000522418466	562198180	/nfs/dbraw/zinc/19/81/80/562198180.db2.gz	UHQDETFBBAUWJZ-DLBZAZTESA-N	1	1	362.518	2.346	20	30		FEEDMO
CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000377641561	558384462	/nfs/dbraw/zinc/38/44/62/558384462.db2.gz	OEWYNWOLCFPGJX-HXUWFJFHSA-N	1	1	354.498	2.118	20	30		FEEDMO
CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000377641561	558384463	/nfs/dbraw/zinc/38/44/63/558384463.db2.gz	OEWYNWOLCFPGJX-HXUWFJFHSA-N	1	1	354.498	2.118	20	30		FEEDMO
N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1	ZINC000377844183	558433735	/nfs/dbraw/zinc/43/37/35/558433735.db2.gz	KIWVYJWUUCBWPH-NUEKZKHPSA-N	1	1	365.886	2.316	20	30		FEEDMO
C[C@@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)CCC(C)(C)C#N)CC1	ZINC000377857251	558436408	/nfs/dbraw/zinc/43/64/08/558436408.db2.gz	RNLBLXLLNUEVSA-HNNXBMFYSA-N	1	1	364.515	2.466	20	30		FEEDMO
CC(=O)Nc1ccc(C[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1	ZINC000378374816	558543104	/nfs/dbraw/zinc/54/31/04/558543104.db2.gz	WPDSDARZKJVIQU-IERDGZPVSA-N	1	1	360.417	2.490	20	30		FEEDMO
CC(=O)Nc1ccc(C[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1	ZINC000378374816	558543107	/nfs/dbraw/zinc/54/31/07/558543107.db2.gz	WPDSDARZKJVIQU-IERDGZPVSA-N	1	1	360.417	2.490	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCNC(=O)C2N=CC=CC2=O)CC1	ZINC000378407806	558549907	/nfs/dbraw/zinc/54/99/07/558549907.db2.gz	XSSWCMQEMACURK-RFGMHMOMSA-N	1	1	360.502	2.146	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1C#N	ZINC000379455376	558601746	/nfs/dbraw/zinc/60/17/46/558601746.db2.gz	MXHIICXLQJXTPQ-SFHVURJKSA-N	1	1	370.478	2.205	20	30		FEEDMO
CC1CC(C#N)(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1	ZINC000404191796	558631189	/nfs/dbraw/zinc/63/11/89/558631189.db2.gz	NRTRXGYHQNUTBW-KXEIRXBSSA-N	1	1	353.466	2.428	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)n1cnc(C#N)n1	ZINC000409461921	558694319	/nfs/dbraw/zinc/69/43/19/558694319.db2.gz	AYDBPKVIEWNZEU-HOTGVXAUSA-N	1	1	366.469	2.402	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000409496831	558697584	/nfs/dbraw/zinc/69/75/84/558697584.db2.gz	YUXWOCCBAMGZET-WMZOPIPTSA-N	1	1	364.515	2.109	20	30		FEEDMO
CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000409507840	558698801	/nfs/dbraw/zinc/69/88/01/558698801.db2.gz	BJCNSUXJONHWML-AEFFLSMTSA-N	1	1	366.531	2.069	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C	ZINC000409509288	558699060	/nfs/dbraw/zinc/69/90/60/558699060.db2.gz	IWJLGHWJVVRWFV-SFHVURJKSA-N	1	1	366.531	2.213	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1	ZINC000410365695	558753153	/nfs/dbraw/zinc/75/31/53/558753153.db2.gz	KHJIZGFMGYDNFA-KRWDZBQOSA-N	1	1	367.453	2.037	20	30		FEEDMO
C=CC[N@H+](CCOC[C@@H]1CCCO1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000525487016	562249355	/nfs/dbraw/zinc/24/93/55/562249355.db2.gz	QZYCKIYTPUZHTQ-LPHOPBHVSA-N	1	1	357.458	2.407	20	30		FEEDMO
C[C@H](CCC#N)[NH+]1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1	ZINC000411500077	558906388	/nfs/dbraw/zinc/90/63/88/558906388.db2.gz	SEGYWGGAWJSHBA-QUCCMNQESA-N	1	1	354.498	2.487	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1	ZINC000411959079	558995418	/nfs/dbraw/zinc/99/54/18/558995418.db2.gz	VEWGCIROWKWCHP-HUUCEWRRSA-N	1	1	374.510	2.287	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)N(C)C)C1	ZINC000411959079	558995419	/nfs/dbraw/zinc/99/54/19/558995419.db2.gz	VEWGCIROWKWCHP-HUUCEWRRSA-N	1	1	374.510	2.287	20	30		FEEDMO
N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000411965631	558996440	/nfs/dbraw/zinc/99/64/40/558996440.db2.gz	ARADXCICWYUQLN-IBGZPJMESA-N	1	1	350.378	2.095	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000413298793	559096920	/nfs/dbraw/zinc/09/69/20/559096920.db2.gz	SWLNEXVCHNNSFH-RTBURBONSA-N	1	1	372.513	2.060	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](C)Cn3cc[nH+]c3C)CC2)o1	ZINC000527236653	562281716	/nfs/dbraw/zinc/28/17/16/562281716.db2.gz	ZPLWMNYATFOYHX-CYBMUJFWSA-N	1	1	370.457	2.029	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416481157	559316276	/nfs/dbraw/zinc/31/62/76/559316276.db2.gz	BGDOPPDATHXHKW-NSHDSACASA-N	1	1	374.304	2.328	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1	ZINC000418707340	559411797	/nfs/dbraw/zinc/41/17/97/559411797.db2.gz	BNWJLNYFHVJBBS-WOJBJXKFSA-N	1	1	369.513	2.293	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)NCC[N@@H+](CC)C(C)C)c(C#N)cn1CC	ZINC000421170743	559528529	/nfs/dbraw/zinc/52/85/29/559528529.db2.gz	FEKWIEOYPCZHDZ-UHFFFAOYSA-N	1	1	363.462	2.408	20	30		FEEDMO
N#Cc1ccc(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)s1	ZINC000421920618	559556689	/nfs/dbraw/zinc/55/66/89/559556689.db2.gz	PACCNZGNABTPRX-UHFFFAOYSA-N	1	1	354.479	2.054	20	30		FEEDMO
CCOCC[N@H+]1CCN(C(=O)NCc2ccc(C#N)s2)C[C@H]1CC	ZINC000422219643	559572108	/nfs/dbraw/zinc/57/21/08/559572108.db2.gz	OVKJUTVSECXEKI-CQSZACIVSA-N	1	1	350.488	2.262	20	30		FEEDMO
CN(C(=O)C(=O)NCC(C)(C)CC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000422489271	559591407	/nfs/dbraw/zinc/59/14/07/559591407.db2.gz	PAIQYWBVUBELCU-GOSISDBHSA-N	1	1	370.497	2.165	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1	ZINC000424495206	559667542	/nfs/dbraw/zinc/66/75/42/559667542.db2.gz	PTBUSIPBTHYBSE-RTWAWAEBSA-N	1	1	371.525	2.422	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C	ZINC000425456420	559702999	/nfs/dbraw/zinc/70/29/99/559702999.db2.gz	WODLNNHKTJQRAQ-XSLAGTTESA-N	1	1	353.507	2.014	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1	ZINC000425470319	559704025	/nfs/dbraw/zinc/70/40/25/559704025.db2.gz	FMOKRGADDOINJG-APWZRJJASA-N	1	1	368.485	2.174	20	30		FEEDMO
COC(=O)c1cnc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2C#N)s1	ZINC000425489885	559705288	/nfs/dbraw/zinc/70/52/88/559705288.db2.gz	OIUMZGWCGRXOSS-LLVKDONJSA-N	1	1	358.423	2.481	20	30		FEEDMO
CNC(=O)[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000425535651	559708213	/nfs/dbraw/zinc/70/82/13/559708213.db2.gz	NRWUBMKDZMEQEN-QRWLVFNGSA-N	1	1	364.449	2.155	20	30		FEEDMO
CNC(=O)[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000425535651	559708214	/nfs/dbraw/zinc/70/82/14/559708214.db2.gz	NRWUBMKDZMEQEN-QRWLVFNGSA-N	1	1	364.449	2.155	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000425541327	559708808	/nfs/dbraw/zinc/70/88/08/559708808.db2.gz	WPCFLWNXUCLTQZ-WMLDXEAASA-N	1	1	363.417	2.208	20	30		FEEDMO
C=CCn1cc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)nn1	ZINC000425637068	559712432	/nfs/dbraw/zinc/71/24/32/559712432.db2.gz	IANNFFFLYGLZBF-UHFFFAOYSA-N	1	1	372.498	2.335	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cc1C#N	ZINC000427789476	559762547	/nfs/dbraw/zinc/76/25/47/559762547.db2.gz	OBESYCHBEJDQJQ-KRWDZBQOSA-N	1	1	368.462	2.435	20	30		FEEDMO
CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cccnc1C#N)c1ccsc1	ZINC000428238519	559771991	/nfs/dbraw/zinc/77/19/91/559771991.db2.gz	NOPWXTCXJOEZOZ-HNNXBMFYSA-N	1	1	364.496	2.376	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)CC(=O)N1CCN(c2cccc(C)c2)CC1	ZINC000429703164	559804208	/nfs/dbraw/zinc/80/42/08/559804208.db2.gz	QGMSVOPGBYEQQS-UHFFFAOYSA-N	1	1	358.530	2.083	20	30		FEEDMO
CN(C(=O)[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1)c1ccccc1	ZINC000430309716	559817497	/nfs/dbraw/zinc/81/74/97/559817497.db2.gz	XAKYALBAKCIOQA-HKUYNNGSSA-N	1	1	362.433	2.070	20	30		FEEDMO
CN(C(=O)[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1)c1ccccc1	ZINC000430309716	559817498	/nfs/dbraw/zinc/81/74/98/559817498.db2.gz	XAKYALBAKCIOQA-HKUYNNGSSA-N	1	1	362.433	2.070	20	30		FEEDMO
C[N@@H+](CCN1CCN(C(=O)NCC2(CC#N)CC2)CC1)Cc1ccccc1	ZINC000431194724	559835663	/nfs/dbraw/zinc/83/56/63/559835663.db2.gz	UUSXQGOOSSWJPE-UHFFFAOYSA-N	1	1	369.513	2.139	20	30		FEEDMO
CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000432998557	559869662	/nfs/dbraw/zinc/86/96/62/559869662.db2.gz	IWKVKDGHFSPODK-UHFFFAOYSA-N	1	1	374.304	2.331	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1ccc(C#N)c(Br)c1)C1CC1	ZINC000433085531	559871629	/nfs/dbraw/zinc/87/16/29/559871629.db2.gz	VADMHOIXXFFXBZ-UHFFFAOYSA-N	1	1	372.288	2.083	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)C2(c3cccc(C#N)c3)CC2)CC1	ZINC000435034389	559914720	/nfs/dbraw/zinc/91/47/20/559914720.db2.gz	MPUSLVYZPCQBFK-UHFFFAOYSA-N	1	1	354.498	2.124	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1	ZINC000437418421	559964496	/nfs/dbraw/zinc/96/44/96/559964496.db2.gz	KUIOKCGJCSBZLI-OAHLLOKOSA-N	1	1	356.470	2.270	20	30		FEEDMO
CN(C)c1nc(N2CCN(CC#Cc3cccc(Cl)c3)CC2)cc[nH+]1	ZINC000438062504	559973627	/nfs/dbraw/zinc/97/36/27/559973627.db2.gz	DWHOFGYXDRLRNV-UHFFFAOYSA-N	1	1	355.873	2.370	20	30		FEEDMO
CC[C@H](CNC(=O)N=c1ccn(CCC#N)[nH]1)[N@H+]1CCc2ccccc2C1	ZINC000438334627	559977562	/nfs/dbraw/zinc/97/75/62/559977562.db2.gz	YVGDDYKGWLKWTA-GOSISDBHSA-N	1	1	366.469	2.755	20	30		FEEDMO
CN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000439595474	559997756	/nfs/dbraw/zinc/99/77/56/559997756.db2.gz	LZHUWJXECKBHTK-OAHLLOKOSA-N	1	1	372.494	2.326	20	30		FEEDMO
CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1	ZINC000441012165	560021579	/nfs/dbraw/zinc/02/15/79/560021579.db2.gz	LDPFKOVZXQSLMA-OAHLLOKOSA-N	1	1	355.438	2.313	20	30		FEEDMO
CC(C)(C#N)CCC[N@H+]1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1	ZINC000441012165	560021580	/nfs/dbraw/zinc/02/15/80/560021580.db2.gz	LDPFKOVZXQSLMA-OAHLLOKOSA-N	1	1	355.438	2.313	20	30		FEEDMO
COc1cc(C[N@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)ccc1C#N	ZINC000442893268	560061218	/nfs/dbraw/zinc/06/12/18/560061218.db2.gz	XJLNBQSRDADAEM-UHFFFAOYSA-N	1	1	373.478	2.286	20	30		FEEDMO
COc1cc(C[N@@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)ccc1C#N	ZINC000442893268	560061220	/nfs/dbraw/zinc/06/12/20/560061220.db2.gz	XJLNBQSRDADAEM-UHFFFAOYSA-N	1	1	373.478	2.286	20	30		FEEDMO
C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(C#N)c(O)c3)nc2)CC1	ZINC000443076479	560069732	/nfs/dbraw/zinc/06/97/32/560069732.db2.gz	SICGAZVKLKXDDU-UHFFFAOYSA-N	1	1	365.437	2.442	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)cc1C#N	ZINC000443392459	560082876	/nfs/dbraw/zinc/08/28/76/560082876.db2.gz	XWPGUANLCWYEAM-MRXNPFEDSA-N	1	1	353.463	2.486	20	30		FEEDMO
Cc1cc(C)cc(C[N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1	ZINC000444700982	560118348	/nfs/dbraw/zinc/11/83/48/560118348.db2.gz	GWVUJKGMECKLRD-FQEVSTJZSA-N	1	1	356.514	2.428	20	30		FEEDMO
Cc1cc(C)cc(C[N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1	ZINC000444700982	560118349	/nfs/dbraw/zinc/11/83/49/560118349.db2.gz	GWVUJKGMECKLRD-FQEVSTJZSA-N	1	1	356.514	2.428	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000448677214	560193674	/nfs/dbraw/zinc/19/36/74/560193674.db2.gz	LJHNWVKOMHKDEI-HXUWFJFHSA-N	1	1	365.481	2.005	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000448677214	560193675	/nfs/dbraw/zinc/19/36/75/560193675.db2.gz	LJHNWVKOMHKDEI-HXUWFJFHSA-N	1	1	365.481	2.005	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000448677214	560193676	/nfs/dbraw/zinc/19/36/76/560193676.db2.gz	LJHNWVKOMHKDEI-HXUWFJFHSA-N	1	1	365.481	2.005	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccc(C#N)s3)C2)CC1	ZINC000449498391	560231889	/nfs/dbraw/zinc/23/18/89/560231889.db2.gz	LGFMTCZRQHTHMT-KRWDZBQOSA-N	1	1	360.527	2.386	20	30		FEEDMO
Cc1nn(C)c(C)c1C[NH+]1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1	ZINC000450322432	560258534	/nfs/dbraw/zinc/25/85/34/560258534.db2.gz	ZBHXKCOFSSNRAO-UHFFFAOYSA-N	1	1	354.414	2.139	20	30		FEEDMO
CCOc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)on1	ZINC000450675811	560269934	/nfs/dbraw/zinc/26/99/34/560269934.db2.gz	VDXDXIAYLPWLHN-UHFFFAOYSA-N	1	1	354.410	2.361	20	30		FEEDMO
C[C@H]1C[C@]1(C#N)C(=O)NC1CC([N@@H+](CC(=O)OC(C)(C)C)CC2CC2)C1	ZINC000451157876	560290458	/nfs/dbraw/zinc/29/04/58/560290458.db2.gz	JBRDABAGHUEHPM-FHERFCKSSA-N	1	1	361.486	2.237	20	30		FEEDMO
C[C@H]1C[C@]1(C#N)C(=O)NC1CC([N@H+](CC(=O)OC(C)(C)C)CC2CC2)C1	ZINC000451157876	560290459	/nfs/dbraw/zinc/29/04/59/560290459.db2.gz	JBRDABAGHUEHPM-FHERFCKSSA-N	1	1	361.486	2.237	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000451176441	560291399	/nfs/dbraw/zinc/29/13/99/560291399.db2.gz	DUAAKWLBEYOZGZ-GOSISDBHSA-N	1	1	352.438	2.216	20	30		FEEDMO
Cc1cccc(N2CCC(NS(=O)(=O)CC(C)(C)CC#N)CC2)[nH+]1	ZINC000451211495	560293258	/nfs/dbraw/zinc/29/32/58/560293258.db2.gz	VTQJIFSDJJRIJT-UHFFFAOYSA-N	1	1	350.488	2.218	20	30		FEEDMO
N#Cc1ccc(OCC[N@H+](CCN2CCOCC2)Cc2ccco2)cc1	ZINC000452054410	560348299	/nfs/dbraw/zinc/34/82/99/560348299.db2.gz	ZKZJFWUCODCCOI-UHFFFAOYSA-N	1	1	355.438	2.364	20	30		FEEDMO
N#Cc1ccc(OCC[N@@H+](CCN2CCOCC2)Cc2ccco2)cc1	ZINC000452054410	560348300	/nfs/dbraw/zinc/34/83/00/560348300.db2.gz	ZKZJFWUCODCCOI-UHFFFAOYSA-N	1	1	355.438	2.364	20	30		FEEDMO
C=CCn1c([C@@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1	ZINC000453455662	560387140	/nfs/dbraw/zinc/38/71/40/560387140.db2.gz	XQBSLVJNYYCZHC-CVEARBPZSA-N	1	1	351.495	2.107	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1	ZINC000453599914	560390589	/nfs/dbraw/zinc/39/05/89/560390589.db2.gz	DDTJHCXOYJMEJV-CYBMUJFWSA-N	1	1	362.499	2.456	20	30		FEEDMO
CN(C(=O)C(=O)Nc1ccc(CC#N)cc1Cl)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000453715138	560399211	/nfs/dbraw/zinc/39/92/11/560399211.db2.gz	RLSUMCYBEVINJZ-CQSZACIVSA-N	1	1	360.845	2.040	20	30		FEEDMO
C=C(C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000453882195	560410477	/nfs/dbraw/zinc/41/04/77/560410477.db2.gz	IEXBVPPMBSAFKK-HOTGVXAUSA-N	1	1	359.470	2.317	20	30		FEEDMO
C=C(C)CCNC(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000455327528	560478198	/nfs/dbraw/zinc/47/81/98/560478198.db2.gz	PZADUGGMGNNBTJ-IRXDYDNUSA-N	1	1	353.507	2.252	20	30		FEEDMO
C=C(CC)CNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000455518396	560485482	/nfs/dbraw/zinc/48/54/82/560485482.db2.gz	GLUCZPOGFZMSHH-SFHVURJKSA-N	1	1	358.486	2.149	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@H](C)C1	ZINC000455740795	560493491	/nfs/dbraw/zinc/49/34/91/560493491.db2.gz	YQPNTUWSLBZNRU-CHWSQXEVSA-N	1	1	350.850	2.325	20	30		FEEDMO
C[NH+]1CCN([C@H](C(=O)NCc2ccc(C#N)c(F)c2)c2ccccc2)CC1	ZINC000456853744	560534584	/nfs/dbraw/zinc/53/45/84/560534584.db2.gz	ZQSPDZNXMMXCBA-FQEVSTJZSA-N	1	1	366.440	2.302	20	30		FEEDMO
C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cn(CCCC#N)c2ccccc12	ZINC000457110732	560549523	/nfs/dbraw/zinc/54/95/23/560549523.db2.gz	ZDQOHXNXRYRZKJ-INIZCTEOSA-N	1	1	354.454	2.084	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cn(CCCC#N)c2ccccc12	ZINC000457110732	560549525	/nfs/dbraw/zinc/54/95/25/560549525.db2.gz	ZDQOHXNXRYRZKJ-INIZCTEOSA-N	1	1	354.454	2.084	20	30		FEEDMO
N#Cc1cccc(OCCC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1	ZINC000459516316	560691336	/nfs/dbraw/zinc/69/13/36/560691336.db2.gz	USKRZWPTRCTGLV-UHFFFAOYSA-N	1	1	367.409	2.453	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000459641994	560699538	/nfs/dbraw/zinc/69/95/38/560699538.db2.gz	MSCBDWQTWNSNIZ-UONOGXRCSA-N	1	1	361.408	2.428	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000459870863	560715351	/nfs/dbraw/zinc/71/53/51/560715351.db2.gz	RKIZBFQPELBEFQ-NVXWUHKLSA-N	1	1	361.511	2.205	20	30		FEEDMO
CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000460053996	560731971	/nfs/dbraw/zinc/73/19/71/560731971.db2.gz	MXAUTOMCQABTHN-AOIWGVFYSA-N	1	1	370.497	2.288	20	30		FEEDMO
CC1=CC[N@@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1	ZINC000460231895	560738575	/nfs/dbraw/zinc/73/85/75/560738575.db2.gz	OIBMZBUGRKYRMF-HXUWFJFHSA-N	1	1	367.497	2.058	20	30		FEEDMO
COc1cc(CNC(=O)[C@@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N	ZINC000460611702	560747029	/nfs/dbraw/zinc/74/70/29/560747029.db2.gz	LBJOTVBXKSRGTG-ZRGWGRIASA-N	1	1	359.470	2.317	20	30		FEEDMO
COc1cc(CNC(=O)[C@@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N	ZINC000460611702	560747030	/nfs/dbraw/zinc/74/70/30/560747030.db2.gz	LBJOTVBXKSRGTG-ZRGWGRIASA-N	1	1	359.470	2.317	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000461852233	560785415	/nfs/dbraw/zinc/78/54/15/560785415.db2.gz	JSVNYFFJQBNLQU-ZNMIVQPWSA-N	1	1	352.442	2.647	20	30		FEEDMO
C=CCOCCCC(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1	ZINC000463617769	560819484	/nfs/dbraw/zinc/81/94/84/560819484.db2.gz	JIEYNRLVHBZXID-UHFFFAOYSA-N	1	1	372.469	2.359	20	30		FEEDMO
CC#CCCCC(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000466644020	560891969	/nfs/dbraw/zinc/89/19/69/560891969.db2.gz	SFFRXUSSZITICH-QZTJIDSGSA-N	1	1	350.503	2.297	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1C	ZINC000467155406	560905194	/nfs/dbraw/zinc/90/51/94/560905194.db2.gz	OIGPZRUKMXWBAX-WCQYABFASA-N	1	1	357.426	2.330	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C1	ZINC000469769204	560964207	/nfs/dbraw/zinc/96/42/07/560964207.db2.gz	NSPROWLZRREBCG-FTEYMNFISA-N	1	1	366.550	2.156	20	30		FEEDMO
N#C[C@H](c1cccc(Cl)c1)N1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1	ZINC000471024950	560996621	/nfs/dbraw/zinc/99/66/21/560996621.db2.gz	GLWIKTWIXINZCF-HSALFYBXSA-N	1	1	374.916	2.385	20	30		FEEDMO
N#C[C@H](c1cccc(Cl)c1)N1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1	ZINC000471024950	560996622	/nfs/dbraw/zinc/99/66/22/560996622.db2.gz	GLWIKTWIXINZCF-HSALFYBXSA-N	1	1	374.916	2.385	20	30		FEEDMO
C=CCOc1ccc(C[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1	ZINC000471806382	561012169	/nfs/dbraw/zinc/01/21/69/561012169.db2.gz	WOIBOHHAWKIECA-UHFFFAOYSA-N	1	1	351.454	2.487	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)CCCn3cc[nH+]c3C)CC2)o1	ZINC000473208261	561044330	/nfs/dbraw/zinc/04/43/30/561044330.db2.gz	LQITXPTWLXRWCJ-UHFFFAOYSA-N	1	1	370.457	2.125	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccnc(C#N)c2)[C@@H]1c1cnn(C)c1	ZINC000476012406	561109279	/nfs/dbraw/zinc/10/92/79/561109279.db2.gz	OUTAGDQPSAAVNZ-QFBILLFUSA-N	1	1	366.469	2.232	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1	ZINC000527986204	562310641	/nfs/dbraw/zinc/31/06/41/562310641.db2.gz	KACRCEGZADONDD-UHOSZYNNSA-N	1	1	359.470	2.302	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1	ZINC000527986204	562310642	/nfs/dbraw/zinc/31/06/42/562310642.db2.gz	KACRCEGZADONDD-UHOSZYNNSA-N	1	1	359.470	2.302	20	30		FEEDMO
CC(C)[N@H+](C)CC1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528371110	562325487	/nfs/dbraw/zinc/32/54/87/562325487.db2.gz	IXPFJQLJWXVTPC-UHFFFAOYSA-N	1	1	367.493	2.338	20	30		FEEDMO
CC(C)[N@@H+](C)CC1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528371110	562325488	/nfs/dbraw/zinc/32/54/88/562325488.db2.gz	IXPFJQLJWXVTPC-UHFFFAOYSA-N	1	1	367.493	2.338	20	30		FEEDMO
Cc1nc(N2CC[NH+](C[C@H](O)COc3ccccc3C#N)CC2)sc1C	ZINC000528421135	562328425	/nfs/dbraw/zinc/32/84/25/562328425.db2.gz	OKWKQGUOZBBEJF-KRWDZBQOSA-N	1	1	372.494	2.194	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12	ZINC000528454152	562330198	/nfs/dbraw/zinc/33/01/98/562330198.db2.gz	YCEDCTMVCRDLJK-GHTZIAJQSA-N	1	1	350.418	2.429	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1	ZINC000528480956	562331534	/nfs/dbraw/zinc/33/15/34/562331534.db2.gz	NBFOMHMTORLUHD-DLBZAZTESA-N	1	1	371.412	2.375	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3	ZINC000528516693	562333671	/nfs/dbraw/zinc/33/36/71/562333671.db2.gz	FPSJPTXILVZPGI-QRQLOZEOSA-N	1	1	372.465	2.306	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000528522151	562333798	/nfs/dbraw/zinc/33/37/98/562333798.db2.gz	SKENUGUFBQOYRL-XUVXKRRUSA-N	1	1	366.461	2.302	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Nc2cccc(C#N)n2)cc1	ZINC000529120379	562361380	/nfs/dbraw/zinc/36/13/80/562361380.db2.gz	DJLABURVCCOACG-INIZCTEOSA-N	1	1	351.410	2.358	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Nc2cccc(C#N)n2)cc1	ZINC000529120379	562361381	/nfs/dbraw/zinc/36/13/81/562361381.db2.gz	DJLABURVCCOACG-INIZCTEOSA-N	1	1	351.410	2.358	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2ccc(COC)c(C#N)c2)C[C@@H]1[NH+]1CCOCC1	ZINC000529213636	562365113	/nfs/dbraw/zinc/36/51/13/562365113.db2.gz	TWCISGZXYRJKNM-KXBFYZLASA-N	1	1	372.469	2.279	20	30		FEEDMO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cc[nH+]c2C2CC2)CC1	ZINC000530130827	562398996	/nfs/dbraw/zinc/39/89/96/562398996.db2.gz	YXSPPZYYVSGYTQ-GOSISDBHSA-N	1	1	367.428	2.309	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1	ZINC000530532990	562414943	/nfs/dbraw/zinc/41/49/43/562414943.db2.gz	TYWPTKBCQBSDLT-KRWDZBQOSA-N	1	1	373.453	2.498	20	30		FEEDMO
C[C@H](C#N)C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1	ZINC000533138419	562499709	/nfs/dbraw/zinc/49/97/09/562499709.db2.gz	FFRRKDAVMPMDEI-MRXNPFEDSA-N	1	1	358.461	2.488	20	30		FEEDMO
C[C@H](C#N)C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1	ZINC000533138419	562499710	/nfs/dbraw/zinc/49/97/10/562499710.db2.gz	FFRRKDAVMPMDEI-MRXNPFEDSA-N	1	1	358.461	2.488	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC([N@@H+](C)CCCO)CC1	ZINC000533991023	562523127	/nfs/dbraw/zinc/52/31/27/562523127.db2.gz	BQXJQHMVCSXFSU-HXUWFJFHSA-N	1	1	373.497	2.267	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)OCC	ZINC000534185282	562527049	/nfs/dbraw/zinc/52/70/49/562527049.db2.gz	LDUVQCRPYMSITJ-AQNXPRMDSA-N	1	1	360.498	2.357	20	30		FEEDMO
N#Cc1cccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1	ZINC000535635234	562563004	/nfs/dbraw/zinc/56/30/04/562563004.db2.gz	KHWCWOHMRFZKBG-LEWJYISDSA-N	1	1	363.461	2.100	20	30		FEEDMO
COCC1(C)CC[NH+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000536888019	562581833	/nfs/dbraw/zinc/58/18/33/562581833.db2.gz	JEBKWEZBOFVGNW-UHFFFAOYSA-N	1	1	367.453	2.431	20	30		FEEDMO
C=CC[C@H](CO)CNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2	ZINC000537066279	562584986	/nfs/dbraw/zinc/58/49/86/562584986.db2.gz	XLJODAUQRKUOTG-HOTGVXAUSA-N	1	1	373.497	2.286	20	30		FEEDMO
CCC[C@H]1CN(S(=O)(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000537181759	562587204	/nfs/dbraw/zinc/58/72/04/562587204.db2.gz	LWTAXGAXAPFHQN-SFHVURJKSA-N	1	1	364.515	2.063	20	30		FEEDMO
CCC[C@H]1CN(S(=O)(=O)N(C)CCC#N)CC[N@H+]1Cc1ccccc1	ZINC000537181759	562587205	/nfs/dbraw/zinc/58/72/05/562587205.db2.gz	LWTAXGAXAPFHQN-SFHVURJKSA-N	1	1	364.515	2.063	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCC1	ZINC000537255810	562588824	/nfs/dbraw/zinc/58/88/24/562588824.db2.gz	VYSIXRACKOXWRM-LJQANCHMSA-N	1	1	358.461	2.409	20	30		FEEDMO
C[N@H+]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000609471654	568010982	/nfs/dbraw/zinc/01/09/82/568010982.db2.gz	OWSRQHIYZLJJOR-INIZCTEOSA-N	1	1	359.449	2.013	20	30		FEEDMO
N#CC1(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CCCC1	ZINC000602700867	568017260	/nfs/dbraw/zinc/01/72/60/568017260.db2.gz	XBZZNCBIQJEOOP-UHFFFAOYSA-N	1	1	372.288	2.270	20	30		FEEDMO
CC1(C)[C@@H](NC(=O)c2cc3ccccc3n2CC#N)C[C@@H]1[NH+]1CCOCC1	ZINC000603115931	568063499	/nfs/dbraw/zinc/06/34/99/568063499.db2.gz	LOSGKMIQTZJCGO-OALUTQOASA-N	1	1	366.465	2.394	20	30		FEEDMO
CCc1[nH+]ccn1Cc1cn(CC(=O)N(CCC#N)c2ccccc2)nn1	ZINC000603167369	568070499	/nfs/dbraw/zinc/07/04/99/568070499.db2.gz	YTEFCKGCLNOGDM-UHFFFAOYSA-N	1	1	363.425	2.032	20	30		FEEDMO
CCCC(=O)NC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000603682341	568135087	/nfs/dbraw/zinc/13/50/87/568135087.db2.gz	JBMXUPXMKMIHIL-UHFFFAOYSA-N	1	1	356.470	2.314	20	30		FEEDMO
CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(C#N)cc3OC(F)F)[C@H]2C1	ZINC000569024013	568275094	/nfs/dbraw/zinc/27/50/94/568275094.db2.gz	DFRLLOCGKORNJE-JKSUJKDBSA-N	1	1	351.397	2.455	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CC(=O)NC2CCCC2)CC1	ZINC000604415902	568281137	/nfs/dbraw/zinc/28/11/37/568281137.db2.gz	JNCXWFVGSQVHQT-HXUWFJFHSA-N	1	1	362.518	2.202	20	30		FEEDMO
C[NH+]1CCN(C[C@H](O)CNc2cccc(Oc3ccc(C#N)cc3)c2)CC1	ZINC000569475461	568401799	/nfs/dbraw/zinc/40/17/99/568401799.db2.gz	HNRVRTORDSKNGZ-LJQANCHMSA-N	1	1	366.465	2.371	20	30		FEEDMO
C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000570231497	568463899	/nfs/dbraw/zinc/46/38/99/568463899.db2.gz	HMGYDLSSEPPWES-DFGXFYAUSA-N	1	1	356.470	2.299	20	30		FEEDMO
C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000570231497	568463901	/nfs/dbraw/zinc/46/39/01/568463901.db2.gz	HMGYDLSSEPPWES-DFGXFYAUSA-N	1	1	356.470	2.299	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000823878457	608463377	/nfs/dbraw/zinc/46/33/77/608463377.db2.gz	ZYYDKJUJUNKZIM-UHFFFAOYSA-N	1	1	366.469	2.380	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000823878457	608463379	/nfs/dbraw/zinc/46/33/79/608463379.db2.gz	ZYYDKJUJUNKZIM-UHFFFAOYSA-N	1	1	366.469	2.380	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](c2nc[nH]n2)C1	ZINC000563022175	674836009	/nfs/dbraw/zinc/83/60/09/674836009.db2.gz	PGDMTQDXUBHQBW-QWRGUYRKSA-N	1	1	356.455	2.043	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2nc(Cl)c(C)cc2c1	ZINC000815082221	674913921	/nfs/dbraw/zinc/91/39/21/674913921.db2.gz	GGEDXNRFDNZCKD-UHFFFAOYSA-N	1	1	365.886	2.430	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1c(C)cc(Br)cc1C	ZINC000815082868	674913932	/nfs/dbraw/zinc/91/39/32/674913932.db2.gz	HYJAQBOMZVYINC-UHFFFAOYSA-N	1	1	373.316	2.299	20	30		FEEDMO
C=C(Br)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@]13C[C@H]1COC3)C2	ZINC001048529591	675009067	/nfs/dbraw/zinc/00/90/67/675009067.db2.gz	SOUKKDXFQFPZJP-JBXGNFEISA-N	1	1	369.303	2.291	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)OC	ZINC001048573913	675010918	/nfs/dbraw/zinc/01/09/18/675010918.db2.gz	IRPBPROQKDYLED-QKDSSNGWSA-N	1	1	350.503	2.362	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1c1snc(C)c1C#N	ZINC001048759327	675014516	/nfs/dbraw/zinc/01/45/16/675014516.db2.gz	FUIBXLPNCKZNER-VNQPRFMTSA-N	1	1	361.515	2.139	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@@H]2C1	ZINC001049111444	675023398	/nfs/dbraw/zinc/02/33/98/675023398.db2.gz	QKJXODXYAMGECZ-MVJTYMMSSA-N	1	1	361.511	2.323	20	30		FEEDMO
CC(C)(C)c1nnc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)s1	ZINC000576030187	671338962	/nfs/dbraw/zinc/33/89/62/671338962.db2.gz	QJYBHEAVTHGTLW-CQSZACIVSA-N	1	1	360.483	2.431	20	30		FEEDMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(C#N)CCC1	ZINC000579291231	671725117	/nfs/dbraw/zinc/72/51/17/671725117.db2.gz	GZACOXUSVPKQKH-GOSISDBHSA-N	1	1	361.511	2.464	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](CCC)[C@@H]1C[C@H](OCC)C12CCCC2	ZINC000610134189	675955918	/nfs/dbraw/zinc/95/59/18/675955918.db2.gz	USHBPRLRIBMNGG-CVEARBPZSA-N	1	1	351.491	2.448	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CC1	ZINC000127326400	672035580	/nfs/dbraw/zinc/03/55/80/672035580.db2.gz	FTOUMIBTLQDEKR-AWEZNQCLSA-N	1	1	351.397	2.256	20	30		FEEDMO
C[C@H]1C[NH+]=C(NN=Cc2cc(Cl)ccc2I)N1	ZINC000853330661	682406249	/nfs/dbraw/zinc/40/62/49/682406249.db2.gz	RWDTYCQXYLCCTJ-ZETCQYMHSA-N	1	1	362.602	2.216	20	30		FEEDMO
CCOC(=O)CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000611037986	676013730	/nfs/dbraw/zinc/01/37/30/676013730.db2.gz	FXFLANJKIYJKFN-JTDSTZFVSA-N	1	1	351.491	2.485	20	30		FEEDMO
CC1(C)CN(Cc2ccc(Br)cc2C#N)CC[N@H+]1CCO	ZINC000588204913	672457398	/nfs/dbraw/zinc/45/73/98/672457398.db2.gz	JCCORNQWKUYCSR-UHFFFAOYSA-N	1	1	352.276	2.209	20	30		FEEDMO
Cc1sc(NC(=O)C[NH2+][C@@](C)(CO)c2cccc(O)c2)c(C#N)c1C	ZINC000589163291	672510761	/nfs/dbraw/zinc/51/07/61/672510761.db2.gz	MQADTTJHYFEXFW-SFHVURJKSA-N	1	1	359.451	2.378	20	30		FEEDMO
CS(=O)(=O)N(CCO[NH+]=C(N)C1CCCCC1)Cc1ccccc1	ZINC000190058463	672629759	/nfs/dbraw/zinc/62/97/59/672629759.db2.gz	CIXKIEVRLYUJFQ-UHFFFAOYSA-N	1	1	353.488	2.317	20	30		FEEDMO
N#CC[C@@]1(O)CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1	ZINC000591938706	672724195	/nfs/dbraw/zinc/72/41/95/672724195.db2.gz	KGLAIFFTKIHHNG-MAUKXSAKSA-N	1	1	362.499	2.020	20	30		FEEDMO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCS[C@@H]2COCC[C@H]21	ZINC000246915550	672844162	/nfs/dbraw/zinc/84/41/62/672844162.db2.gz	MTVJVEMVRVQEKT-IAGOWNOFSA-N	1	1	355.467	2.289	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1	ZINC000593455550	672926033	/nfs/dbraw/zinc/92/60/33/672926033.db2.gz	VWBKCYSDEHXCGQ-LBPRGKRZSA-N	1	1	350.260	2.321	20	30		FEEDMO
N#Cc1sccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000593565837	672945140	/nfs/dbraw/zinc/94/51/40/672945140.db2.gz	AEGKELUHWHHBCO-GXTWGEPZSA-N	1	1	351.497	2.257	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1	ZINC000593621751	672960194	/nfs/dbraw/zinc/96/01/94/672960194.db2.gz	SFUUPFRSMJDFCT-BRWVUGGUSA-N	1	1	364.515	2.060	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1	ZINC000593621751	672960198	/nfs/dbraw/zinc/96/01/98/672960198.db2.gz	SFUUPFRSMJDFCT-BRWVUGGUSA-N	1	1	364.515	2.060	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)[C@@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1	ZINC000593621771	672960347	/nfs/dbraw/zinc/96/03/47/672960347.db2.gz	SFUUPFRSMJDFCT-ZACQAIPSSA-N	1	1	364.515	2.060	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)[C@@H](C)[C@@H](C)[N@H+]1Cc1ccccc1	ZINC000593621771	672960348	/nfs/dbraw/zinc/96/03/48/672960348.db2.gz	SFUUPFRSMJDFCT-ZACQAIPSSA-N	1	1	364.515	2.060	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1	ZINC000279337932	672962408	/nfs/dbraw/zinc/96/24/08/672962408.db2.gz	IBOGSSGWDPKSTF-GOSISDBHSA-N	1	1	350.484	2.165	20	30		FEEDMO
CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000593659215	672972890	/nfs/dbraw/zinc/97/28/90/672972890.db2.gz	TUGWYBBLVNBLNY-UHFFFAOYSA-N	1	1	350.850	2.244	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1=O	ZINC000685004368	672984780	/nfs/dbraw/zinc/98/47/80/672984780.db2.gz	WRFSXPCOVHASGN-MLGOLLRUSA-N	1	1	373.280	2.452	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCN2CCCS2(=O)=O)C1	ZINC000329103358	673072222	/nfs/dbraw/zinc/07/22/22/673072222.db2.gz	DFKDXYAGXLCICU-NVXWUHKLSA-N	1	1	365.499	2.204	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c(F)c1	ZINC000594854421	673164812	/nfs/dbraw/zinc/16/48/12/673164812.db2.gz	JYJCEFPIFATNNX-CQSZACIVSA-N	1	1	351.447	2.383	20	30		FEEDMO
CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000595352720	673230710	/nfs/dbraw/zinc/23/07/10/673230710.db2.gz	CBFKDUMBCZPRKZ-LBPRGKRZSA-N	1	1	361.389	2.340	20	30		FEEDMO
N#Cc1cc(F)c(S(=O)(=O)NCC2CC[NH+](CC3CC3)CC2)c(F)c1	ZINC000595411809	673246091	/nfs/dbraw/zinc/24/60/91/673246091.db2.gz	NMQPZAJGIDAYGQ-UHFFFAOYSA-N	1	1	369.437	2.237	20	30		FEEDMO
C=C(C)[C@H]([NH2+][C@@H]1CCN(CCC(=O)OC)C1=O)c1ccc(F)c(F)c1	ZINC000595440272	673251305	/nfs/dbraw/zinc/25/13/05/673251305.db2.gz	ORNYLDKSYGTGHM-WBVHZDCISA-N	1	1	352.381	2.336	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@@H]1CC1(C)C	ZINC000595910945	673337621	/nfs/dbraw/zinc/33/76/21/673337621.db2.gz	UTJURRNTZBSBJD-HOTGVXAUSA-N	1	1	360.527	2.435	20	30		FEEDMO
Cc1ccccc1C(=NNC(=S)NCCC[NH+]1CCOCC1)C1CC1	ZINC000731924398	673348155	/nfs/dbraw/zinc/34/81/55/673348155.db2.gz	GVFYPCBHRFJLRJ-UHFFFAOYSA-N	1	1	360.527	2.296	20	30		FEEDMO
Cc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596086796	673357327	/nfs/dbraw/zinc/35/73/27/673357327.db2.gz	BKOAMBMACABJFF-QGZVFWFLSA-N	1	1	362.455	2.395	20	30		FEEDMO
N#Cc1cc(F)c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1Br	ZINC000596537922	673392526	/nfs/dbraw/zinc/39/25/26/673392526.db2.gz	JWIFVGOVCYOFKE-ZDUSSCGKSA-N	1	1	368.250	2.495	20	30		FEEDMO
Cc1nsc(NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c1C#N	ZINC000596900915	673424309	/nfs/dbraw/zinc/42/43/09/673424309.db2.gz	AMCVJTXGLXHMRW-ZIAGYGMSSA-N	1	1	361.471	2.088	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)CC1	ZINC000543678931	673661255	/nfs/dbraw/zinc/66/12/55/673661255.db2.gz	CAUCTNWWFFVUGW-UHFFFAOYSA-N	1	1	353.444	2.140	20	30		FEEDMO
C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H](CO)c1ccc(Cl)cc1	ZINC000599431658	673675219	/nfs/dbraw/zinc/67/52/19/673675219.db2.gz	NBNXOGKCLDAIHO-IAGOWNOFSA-N	1	1	352.862	2.377	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@@H](CCF)C1)CCC2	ZINC000599642626	673701060	/nfs/dbraw/zinc/70/10/60/673701060.db2.gz	OGPDRUMRRTWSKR-LBPRGKRZSA-N	1	1	351.447	2.497	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@@H](CCF)C1)CCC2	ZINC000599642626	673701062	/nfs/dbraw/zinc/70/10/62/673701062.db2.gz	OGPDRUMRRTWSKR-LBPRGKRZSA-N	1	1	351.447	2.497	20	30		FEEDMO
N#Cc1cc(Br)ccc1CC(=O)N1CC[NH+](CCCF)CC1	ZINC000600075318	673738759	/nfs/dbraw/zinc/73/87/59/673738759.db2.gz	CHEQEHYLJCCRKB-UHFFFAOYSA-N	1	1	368.250	2.367	20	30		FEEDMO
C[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)[N@@H+]1CCc2ccccc2C1	ZINC000545386502	673765190	/nfs/dbraw/zinc/76/51/90/673765190.db2.gz	UZDJXPDCPADGQL-MRXNPFEDSA-N	1	1	361.511	2.437	20	30		FEEDMO
C[C@H](CNS(=O)(=O)CC1(C#N)CCCC1)[N@H+]1CCc2ccccc2C1	ZINC000545386502	673765193	/nfs/dbraw/zinc/76/51/93/673765193.db2.gz	UZDJXPDCPADGQL-MRXNPFEDSA-N	1	1	361.511	2.437	20	30		FEEDMO
CN(CCC#N)C[C@@H](O)CN[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1	ZINC000600754798	673796538	/nfs/dbraw/zinc/79/65/38/673796538.db2.gz	IICPGSFISZOFAK-YOEHRIQHSA-N	1	1	373.328	2.392	20	30		FEEDMO
Cc1cc(C)c(C[S@@](=O)CC(=O)NCc2ccc(C#N)cc2)c(C)[nH+]1	ZINC000600935265	673811167	/nfs/dbraw/zinc/81/11/67/673811167.db2.gz	NHTNGZYKDJHBIY-RUZDIDTESA-N	1	1	355.463	2.444	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)CC1(CC#N)CC1	ZINC000601481362	673869450	/nfs/dbraw/zinc/86/94/50/673869450.db2.gz	DZHQCVAKAJDXGQ-SJLPKXTDSA-N	1	1	361.511	2.368	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1cnc(SC)n1-c1ccc(F)cc1	ZINC000818584723	675226140	/nfs/dbraw/zinc/22/61/40/675226140.db2.gz	VSBWVKAWXXNJMH-UHFFFAOYSA-N	1	1	360.458	2.418	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(C)c(I)c1	ZINC000818593025	675226813	/nfs/dbraw/zinc/22/68/13/675226813.db2.gz	IDCMTDVAQHMCCF-UHFFFAOYSA-N	1	1	370.234	2.285	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC	ZINC000818602918	675227915	/nfs/dbraw/zinc/22/79/15/675227915.db2.gz	JMSRAYYDAVVHBZ-HZPDHXFCSA-N	1	1	351.491	2.093	20	30		FEEDMO
C[C@@](CO)([NH2+]CC(=O)NC1(C#N)CCC1)c1cccc(C(F)(F)F)c1	ZINC000615224850	676207939	/nfs/dbraw/zinc/20/79/39/676207939.db2.gz	VIXXBZFKNHRAMK-HNNXBMFYSA-N	1	1	355.360	2.065	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819256199	675274518	/nfs/dbraw/zinc/27/45/18/675274518.db2.gz	JVKHNBYRLMQVTG-HUUCEWRRSA-N	1	1	352.479	2.032	20	30		FEEDMO
C#C[C@@H](NC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccc(Cl)cc1	ZINC000820553983	675369585	/nfs/dbraw/zinc/36/95/85/675369585.db2.gz	YJKMOOOBYKRDIU-QZTJIDSGSA-N	1	1	361.873	2.255	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[NH2+]CCS(=O)(=O)C1CCOCC1	ZINC000824896740	675627149	/nfs/dbraw/zinc/62/71/49/675627149.db2.gz	AFEIDQSPLITUMJ-UHFFFAOYSA-N	1	1	371.886	2.035	20	30		FEEDMO
O=C(C#Cc1cccs1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000827316445	675747616	/nfs/dbraw/zinc/74/76/16/675747616.db2.gz	BJYBRZQGOVAIHQ-HKUYNNGSSA-N	1	1	354.475	2.099	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@@H]1C	ZINC000616419007	676249556	/nfs/dbraw/zinc/24/95/56/676249556.db2.gz	HASOOBYQOBUHTL-BBRMVZONSA-N	1	1	353.463	2.332	20	30		FEEDMO
C[N@H+]1CCC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1	ZINC000618202309	676324614	/nfs/dbraw/zinc/32/46/14/676324614.db2.gz	XOPCHWRVCQNIGG-HNNXBMFYSA-N	1	1	361.877	2.137	20	30		FEEDMO
CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1	ZINC000619057794	676361950	/nfs/dbraw/zinc/36/19/50/676361950.db2.gz	LDFPJPRYFPWYAF-SFHVURJKSA-N	1	1	361.511	2.488	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@@H+](CCO)[C@H]3CCCSC3)C2=O)cc1	ZINC000619569059	676385457	/nfs/dbraw/zinc/38/54/57/676385457.db2.gz	FVELGEGARWUOAQ-ZWKOTPCHSA-N	1	1	359.495	2.244	20	30		FEEDMO
C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCC[C@@](C)(C#N)C2)ccc1Cl	ZINC000619645844	676389152	/nfs/dbraw/zinc/38/91/52/676389152.db2.gz	TUYBIVPLUZOBNF-SFHVURJKSA-N	1	1	362.861	2.492	20	30		FEEDMO
C=CCn1c([C@H]2CCCS2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000643721898	677229864	/nfs/dbraw/zinc/22/98/64/677229864.db2.gz	MIMVCAPGWSLORH-JKSUJKDBSA-N	1	1	363.531	2.333	20	30		FEEDMO
COC(=O)C1(C#N)CC[NH+](CC2(CNC(=O)OC(C)(C)C)CC2)CC1	ZINC000839128106	680740122	/nfs/dbraw/zinc/74/01/22/680740122.db2.gz	CVDRGGKEATUEOJ-UHFFFAOYSA-N	1	1	351.447	2.070	20	30		FEEDMO
C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000660583429	678360878	/nfs/dbraw/zinc/36/08/78/678360878.db2.gz	BXVFZNDERSMBJR-IXDOHACOSA-N	1	1	350.507	2.008	20	30		FEEDMO
C=CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H](C)COC	ZINC000661241781	678456917	/nfs/dbraw/zinc/45/69/17/678456917.db2.gz	GHTIZRXNEGEPKF-LBPRGKRZSA-N	1	1	353.850	2.290	20	30		FEEDMO
C=CC[N@H+](CC(=O)N(CC)CC(=O)NCc1cccs1)C(C)(C)C	ZINC000661755367	678529930	/nfs/dbraw/zinc/52/99/30/678529930.db2.gz	LFJXAOBQTMVRHZ-UHFFFAOYSA-N	1	1	351.516	2.499	20	30		FEEDMO
CC(C)[C@@H](C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O)[NH+]1CCCC1	ZINC000764554666	680814521	/nfs/dbraw/zinc/81/45/21/680814521.db2.gz	YHGQIKFWIJJZDK-GJZGRUSLSA-N	1	1	361.467	2.389	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC	ZINC000670608454	679290759	/nfs/dbraw/zinc/29/07/59/679290759.db2.gz	BKVUBAFAOCVOQU-MRXNPFEDSA-N	1	1	351.878	2.484	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2SC)CC1	ZINC000747823981	679905098	/nfs/dbraw/zinc/90/50/98/679905098.db2.gz	JLVMBIDGQRPHKM-AWEZNQCLSA-N	1	1	359.495	2.197	20	30		FEEDMO
CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1	ZINC000748318231	679951849	/nfs/dbraw/zinc/95/18/49/679951849.db2.gz	NYYJISWWJJAECW-SJORKVTESA-N	1	1	350.507	2.155	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCOCC2)C1	ZINC001008842889	679967495	/nfs/dbraw/zinc/96/74/95/679967495.db2.gz	AUIKVKNDRRNMEN-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1	ZINC000975224325	680022956	/nfs/dbraw/zinc/02/29/56/680022956.db2.gz	OKLNOBJGSQHVAN-NUEKZKHPSA-N	1	1	367.921	2.166	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1	ZINC000975723652	680083480	/nfs/dbraw/zinc/08/34/80/680083480.db2.gz	PABIAQASVAKLGY-XHSDSOJGSA-N	1	1	367.921	2.309	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=C[C@H]1CCCc2ccccc21	ZINC000752157871	680225707	/nfs/dbraw/zinc/22/57/07/680225707.db2.gz	DXADCBRVDRVYIH-QGZVFWFLSA-N	1	1	360.527	2.279	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCOC2CCC2)C1	ZINC001023375833	680257293	/nfs/dbraw/zinc/25/72/93/680257293.db2.gz	SLMOVKJFNILOGY-UHOSZYNNSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC000982803513	680288136	/nfs/dbraw/zinc/28/81/36/680288136.db2.gz	IEYDRYDQTPLYEL-OWCLPIDISA-N	1	1	369.937	2.460	20	30		FEEDMO
C=C(Br)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1(C)C	ZINC000995920576	680312115	/nfs/dbraw/zinc/31/21/15/680312115.db2.gz	CKGUNXBTUIEROY-YRGRVCCFSA-N	1	1	367.291	2.248	20	30		FEEDMO
COc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c(Br)cc1O	ZINC000753933878	680325188	/nfs/dbraw/zinc/32/51/88/680325188.db2.gz	DLXZRYWKKMDMHV-TXEJJXNPSA-N	1	1	367.247	2.357	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2	ZINC000996570722	680335560	/nfs/dbraw/zinc/33/55/60/680335560.db2.gz	DGEXMBSLLGXEDD-ILXRZTDVSA-N	1	1	364.877	2.218	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1	ZINC000997312641	680351770	/nfs/dbraw/zinc/35/17/70/680351770.db2.gz	FVDGUALLWGTKQP-XOKHGSTOSA-N	1	1	350.894	2.493	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001027417402	680356442	/nfs/dbraw/zinc/35/64/42/680356442.db2.gz	XPJIHWTVWLKORL-RVKKMQEKSA-N	1	1	360.527	2.383	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(C)Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC001027417402	680356444	/nfs/dbraw/zinc/35/64/44/680356444.db2.gz	XPJIHWTVWLKORL-RVKKMQEKSA-N	1	1	360.527	2.383	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCOCC2)C1	ZINC001027613455	680361674	/nfs/dbraw/zinc/36/16/74/680361674.db2.gz	XVUSFIYXHPHDIX-QYZOEREBSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1	ZINC001028703002	680381036	/nfs/dbraw/zinc/38/10/36/680381036.db2.gz	ZKSROCDUCTYRJB-YUELXQCFSA-N	1	1	357.292	2.148	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC2)C1	ZINC001028703002	680381042	/nfs/dbraw/zinc/38/10/42/680381042.db2.gz	ZKSROCDUCTYRJB-YUELXQCFSA-N	1	1	357.292	2.148	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000754904588	680388135	/nfs/dbraw/zinc/38/81/35/680388135.db2.gz	YDQQSORHKYLFEP-BZSNNMDCSA-N	1	1	363.864	2.438	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000754904588	680388138	/nfs/dbraw/zinc/38/81/38/680388138.db2.gz	YDQQSORHKYLFEP-BZSNNMDCSA-N	1	1	363.864	2.438	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCn2cc(Cl)cn2)C1	ZINC001033087171	680416417	/nfs/dbraw/zinc/41/64/17/680416417.db2.gz	RVNJHKZBZUKUEO-BBWFWOEESA-N	1	1	366.893	2.050	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001033087171	680416420	/nfs/dbraw/zinc/41/64/20/680416420.db2.gz	RVNJHKZBZUKUEO-BBWFWOEESA-N	1	1	366.893	2.050	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1cc(Cl)c2c(c1)OCCCO2	ZINC000836188415	680433586	/nfs/dbraw/zinc/43/35/86/680433586.db2.gz	BKXVFHNZCDUTJC-UHFFFAOYSA-N	1	1	365.861	2.256	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnsn2)CC1	ZINC001034755145	680440030	/nfs/dbraw/zinc/44/00/30/680440030.db2.gz	WGXZNOAEBLCLEK-SDADXPQNSA-N	1	1	350.488	2.036	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)CC2)C1	ZINC001039159501	680462334	/nfs/dbraw/zinc/46/23/34/680462334.db2.gz	PNZQUQWUJNGWLU-ZACQAIPSSA-N	1	1	367.921	2.024	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1	ZINC000836488106	680475850	/nfs/dbraw/zinc/47/58/50/680475850.db2.gz	LPVZCUZFUIEVEV-QGZVFWFLSA-N	1	1	351.397	2.003	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](C#C)c1ccc(Br)cc1	ZINC000836491459	680476861	/nfs/dbraw/zinc/47/68/61/680476861.db2.gz	SBROPDUBJPHPHV-MRXNPFEDSA-N	1	1	362.271	2.378	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3csc(C)n3)C2)C1	ZINC001041698683	680508924	/nfs/dbraw/zinc/50/89/24/680508924.db2.gz	WRMRKNZAMVWVEM-ZIFCJYIRSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3csc(C)n3)C2)C1	ZINC001041698683	680508925	/nfs/dbraw/zinc/50/89/25/680508925.db2.gz	WRMRKNZAMVWVEM-ZIFCJYIRSA-N	1	1	361.511	2.467	20	30		FEEDMO
C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C	ZINC001042510470	680533506	/nfs/dbraw/zinc/53/35/06/680533506.db2.gz	LFLZMVJJNAFTJU-NQBHXWOUSA-N	1	1	367.906	2.093	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1Nc1nc(C#N)c(Cl)s1	ZINC001043249957	680569130	/nfs/dbraw/zinc/56/91/30/680569130.db2.gz	AINRKIOILPHBAO-NTZNESFSSA-N	1	1	367.906	2.269	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1Nc1nc(Cl)c(C#N)s1	ZINC001043450151	680582484	/nfs/dbraw/zinc/58/24/84/680582484.db2.gz	GHLFZPKUNPGPFX-UTUOFQBUSA-N	1	1	367.906	2.411	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1Nc1ncc(C#N)cc1Cl	ZINC001043585213	680589523	/nfs/dbraw/zinc/58/95/23/680589523.db2.gz	QDCSIYICQKPZER-MLGOLLRUSA-N	1	1	361.877	2.350	20	30		FEEDMO
Fc1ccc(C2CC(=NNC(=S)NCCC[NH+]3CCOCC3)C2)cc1	ZINC000759187991	680633670	/nfs/dbraw/zinc/63/36/70/680633670.db2.gz	ZAYPVJPATLFUDB-UHFFFAOYSA-N	1	1	364.490	2.246	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](Nc3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001046633543	680652131	/nfs/dbraw/zinc/65/21/31/680652131.db2.gz	ZSDMZUOSPVGQGU-WISYIIOYSA-N	1	1	367.906	2.315	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCOC)CCC1(F)F	ZINC001046980289	680656079	/nfs/dbraw/zinc/65/60/79/680656079.db2.gz	KVAQUSZVSSIRNW-JYJNAYRXSA-N	1	1	360.445	2.078	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](Nc2nc(C#N)c(Cl)s2)C1	ZINC001047216579	680658649	/nfs/dbraw/zinc/65/86/49/680658649.db2.gz	GLZWDHYTRAFUCI-DMDPSCGWSA-N	1	1	367.906	2.459	20	30		FEEDMO
CCS(=O)(=O)c1ccc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)cc1	ZINC000842036431	680922758	/nfs/dbraw/zinc/92/27/58/680922758.db2.gz	YWKHQFUVYHKSMQ-UHFFFAOYSA-N	1	1	360.435	2.252	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000768129241	680938675	/nfs/dbraw/zinc/93/86/75/680938675.db2.gz	YLKOEZGFZXTOOH-GOSISDBHSA-N	1	1	354.539	2.442	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000768129241	680938677	/nfs/dbraw/zinc/93/86/77/680938677.db2.gz	YLKOEZGFZXTOOH-GOSISDBHSA-N	1	1	354.539	2.442	20	30		FEEDMO
C#CCN1CCN(C(=O)C[NH2+]C(C)(C)c2cccc(Cl)c2F)CC1	ZINC000770688390	681023924	/nfs/dbraw/zinc/02/39/24/681023924.db2.gz	XERZVBGNZYVCNR-UHFFFAOYSA-N	1	1	351.853	2.081	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCc1ccns1	ZINC001049732658	681037976	/nfs/dbraw/zinc/03/79/76/681037976.db2.gz	PJSIOHCRDCGQQS-XDNAFOTISA-N	1	1	361.511	2.342	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]21	ZINC001050144191	681042240	/nfs/dbraw/zinc/04/22/40/681042240.db2.gz	MDOSLEDTXDYPOI-HZMVEIRTSA-N	1	1	361.511	2.465	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]21	ZINC001050144191	681042243	/nfs/dbraw/zinc/04/22/43/681042243.db2.gz	MDOSLEDTXDYPOI-HZMVEIRTSA-N	1	1	361.511	2.465	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CCN1c1ncc(C#N)cc1Cl	ZINC001050454724	681048481	/nfs/dbraw/zinc/04/84/81/681048481.db2.gz	OPZPIBUVMBHYBR-IOASZLSFSA-N	1	1	361.877	2.032	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@@H](O)c1cccc(C#N)c1	ZINC000844365546	681054214	/nfs/dbraw/zinc/05/42/14/681054214.db2.gz	CEARTBXMWZRGOD-MRXNPFEDSA-N	1	1	354.435	2.485	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(c3nc(C#N)c(Cl)s3)[C@@H]2C)C1	ZINC001051014870	681059900	/nfs/dbraw/zinc/05/99/00/681059900.db2.gz	FBOSJKWLQZUQHS-UTUOFQBUSA-N	1	1	367.906	2.093	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1c1nc(Cl)c(C#N)s1	ZINC001051230067	681066130	/nfs/dbraw/zinc/06/61/30/681066130.db2.gz	CXXNJWOZJXUKGI-GRYCIOLGSA-N	1	1	367.906	2.236	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=C)Br)CC1	ZINC001052723845	681084413	/nfs/dbraw/zinc/08/44/13/681084413.db2.gz	VBKCJDAUGAEHLJ-ZNMIVQPWSA-N	1	1	357.292	2.457	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=C)Br)CC1	ZINC001052723845	681084416	/nfs/dbraw/zinc/08/44/16/681084416.db2.gz	VBKCJDAUGAEHLJ-ZNMIVQPWSA-N	1	1	357.292	2.457	20	30		FEEDMO
Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C)c1C#N	ZINC001054514447	681112236	/nfs/dbraw/zinc/11/22/36/681112236.db2.gz	JNLUHYMFNCSOJN-XPKDYRNWSA-N	1	1	361.515	2.314	20	30		FEEDMO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C3)c1C#N	ZINC001055430063	681135127	/nfs/dbraw/zinc/13/51/27/681135127.db2.gz	SHZGJUQHLJHXRU-OJLVUWQFSA-N	1	1	359.499	2.033	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCN(c3snc(C)c3C#N)C2)CC[N@H+]1C	ZINC001058257943	681169651	/nfs/dbraw/zinc/16/96/51/681169651.db2.gz	JLYHPTHPUDSXNV-OFQRWUPVSA-N	1	1	361.515	2.139	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001058257858	681169689	/nfs/dbraw/zinc/16/96/89/681169689.db2.gz	HPFCBYPNVSXABJ-GRYCIOLGSA-N	1	1	367.906	2.093	20	30		FEEDMO
C[C@@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1	ZINC000932341275	681228984	/nfs/dbraw/zinc/22/89/84/681228984.db2.gz	HQBULPHUFYAAPU-CQSZACIVSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1	ZINC000932341275	681228988	/nfs/dbraw/zinc/22/89/88/681228988.db2.gz	HQBULPHUFYAAPU-CQSZACIVSA-N	1	1	354.372	2.284	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cncs3)C[C@H]2CC1	ZINC000946787758	681261186	/nfs/dbraw/zinc/26/11/86/681261186.db2.gz	CVEHUIJQVRROHQ-ATLSCFEFSA-N	1	1	361.511	2.405	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3ccns3)C[C@H]2CC1	ZINC000946787988	681261295	/nfs/dbraw/zinc/26/12/95/681261295.db2.gz	IHAOIQLQQSUBGW-ATLSCFEFSA-N	1	1	361.511	2.405	20	30		FEEDMO
O=C1NCCC[C@@H]1[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932948682	681334243	/nfs/dbraw/zinc/33/42/43/681334243.db2.gz	LVGOCKPWQUVQAA-RNJXMRFFSA-N	1	1	366.252	2.368	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H]1CCCO1	ZINC000775785974	681335127	/nfs/dbraw/zinc/33/51/27/681335127.db2.gz	UFNDAUYRGBKXON-LSDHHAIUSA-N	1	1	358.335	2.231	20	30		FEEDMO
C#C[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCO1	ZINC000775799578	681336184	/nfs/dbraw/zinc/33/61/84/681336184.db2.gz	OJGYDDYALJQBKQ-DGFSRKRXSA-N	1	1	351.790	2.346	20	30		FEEDMO
C=CC1(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000933492777	681420794	/nfs/dbraw/zinc/42/07/94/681420794.db2.gz	VLOIVMJWJNQXTB-GJZGRUSLSA-N	1	1	351.491	2.399	20	30		FEEDMO
CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O	ZINC000848009089	681461112	/nfs/dbraw/zinc/46/11/12/681461112.db2.gz	XHKKFVBRKGWXKZ-KDOFPFPSSA-N	1	1	352.479	2.030	20	30		FEEDMO
CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1=O	ZINC000848009089	681461115	/nfs/dbraw/zinc/46/11/15/681461115.db2.gz	XHKKFVBRKGWXKZ-KDOFPFPSSA-N	1	1	352.479	2.030	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C	ZINC000777312579	681481250	/nfs/dbraw/zinc/48/12/50/681481250.db2.gz	YUANKYUFQZPXDL-CVEARBPZSA-N	1	1	350.459	2.417	20	30		FEEDMO
COC(=O)[C@H]1C[N@@H+](CCCCC#N)CC12CN(C(=O)OC(C)(C)C)C2	ZINC000934048923	681501455	/nfs/dbraw/zinc/50/14/55/681501455.db2.gz	CBWKGRJMNOWUBH-CQSZACIVSA-N	1	1	351.447	2.022	20	30		FEEDMO
Cc1nn(-c2ccccc2Cl)cc1C=NNCCC[NH+]1CCOCC1	ZINC000848409670	681536512	/nfs/dbraw/zinc/53/65/12/681536512.db2.gz	BFJKSBXVLGDFRG-UHFFFAOYSA-N	1	1	361.877	2.480	20	30		FEEDMO
CN(C)S(=O)(=O)c1ccccc1N=NC1CCC[N@H+]2CCCC[C@@H]12	ZINC000848410061	681536652	/nfs/dbraw/zinc/53/66/52/681536652.db2.gz	IFHMFTBRUASDQG-INIZCTEOSA-N	1	1	350.488	2.353	20	30		FEEDMO
C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000934465310	681574654	/nfs/dbraw/zinc/57/46/54/681574654.db2.gz	KVXVQHSTXZWZTN-MRXNPFEDSA-N	1	1	363.483	2.060	20	30		FEEDMO
C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000934465310	681574657	/nfs/dbraw/zinc/57/46/57/681574657.db2.gz	KVXVQHSTXZWZTN-MRXNPFEDSA-N	1	1	363.483	2.060	20	30		FEEDMO
C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000934464014	681574674	/nfs/dbraw/zinc/57/46/74/681574674.db2.gz	ALWIPRDKQKUMQL-CYBMUJFWSA-N	1	1	371.890	2.179	20	30		FEEDMO
C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000934464014	681574682	/nfs/dbraw/zinc/57/46/82/681574682.db2.gz	ALWIPRDKQKUMQL-CYBMUJFWSA-N	1	1	371.890	2.179	20	30		FEEDMO
C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1	ZINC000949370590	681635781	/nfs/dbraw/zinc/63/57/81/681635781.db2.gz	ZVMBODLMDAKNGW-ROUUACIJSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCC(=O)N1CCc2sccc2C1	ZINC000780354125	681817693	/nfs/dbraw/zinc/81/76/93/681817693.db2.gz	LPKSHRXRYDMDDY-MRXNPFEDSA-N	1	1	360.479	2.054	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1csc(C#N)c1	ZINC000914235556	685500144	/nfs/dbraw/zinc/50/01/44/685500144.db2.gz	YKOUFLPGMWTJHV-HZSPNIEDSA-N	1	1	355.529	2.406	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC000781801723	681975434	/nfs/dbraw/zinc/97/54/34/681975434.db2.gz	GJDRSBKSTDGKBR-GFCCVEGCSA-N	1	1	354.309	2.451	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1	ZINC000781801723	681975441	/nfs/dbraw/zinc/97/54/41/681975441.db2.gz	GJDRSBKSTDGKBR-GFCCVEGCSA-N	1	1	354.309	2.451	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1	ZINC000914273422	685502040	/nfs/dbraw/zinc/50/20/40/685502040.db2.gz	GNKKEQOOTHPGBR-WMLDXEAASA-N	1	1	365.524	2.398	20	30		FEEDMO
C=C(Br)CNC(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000914418353	685507374	/nfs/dbraw/zinc/50/73/74/685507374.db2.gz	IHEANKDVRJAGMW-IXYNUQLISA-N	1	1	374.323	2.064	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)CC1(C)C	ZINC000941047113	682098376	/nfs/dbraw/zinc/09/83/76/682098376.db2.gz	WGSNSUJGSJYVBY-FGTMMUONSA-N	1	1	350.503	2.221	20	30		FEEDMO
C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)O1	ZINC000961848150	682101849	/nfs/dbraw/zinc/10/18/49/682101849.db2.gz	RLFPRTNWPDOEHT-SFKBXODTSA-N	1	1	358.869	2.305	20	30		FEEDMO
C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC#Cc4ccc(Cl)cc4)C[C@H]32)O1	ZINC000961848150	682101853	/nfs/dbraw/zinc/10/18/53/682101853.db2.gz	RLFPRTNWPDOEHT-SFKBXODTSA-N	1	1	358.869	2.305	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CCC([NH2+]Cc2csnn2)CC1	ZINC000964021672	682155885	/nfs/dbraw/zinc/15/58/85/682155885.db2.gz	BKTLFOATEMVGPH-KMZOKZLKSA-N	1	1	364.515	2.379	20	30		FEEDMO
COCC[N@@H+]1[C@H](C)CN(c2cc(Br)cnc2C#N)C[C@@H]1C	ZINC000853709413	682458789	/nfs/dbraw/zinc/45/87/89/682458789.db2.gz	ZRSKAVFHWOSIJK-TXEJJXNPSA-N	1	1	353.264	2.261	20	30		FEEDMO
C#CCN(CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)C(=O)OC(C)(C)C	ZINC000854271115	682531656	/nfs/dbraw/zinc/53/16/56/682531656.db2.gz	YUWMUWZIHRLASH-INIZCTEOSA-N	1	1	351.491	2.237	20	30		FEEDMO
C=CC[C@]1(C(=O)N2CC[NH+](CC)CC2)CCCN1C(=O)OC(C)(C)C	ZINC000790096473	682655947	/nfs/dbraw/zinc/65/59/47/682655947.db2.gz	BMJAFGHZSOEUPT-LJQANCHMSA-N	1	1	351.491	2.496	20	30		FEEDMO
C[N@@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C2(CCCCC2)C1	ZINC000790857570	682707750	/nfs/dbraw/zinc/70/77/50/682707750.db2.gz	UIDZLXOKBMADJR-UHFFFAOYSA-N	1	1	365.474	2.477	20	30		FEEDMO
C[N@H+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C2(CCCCC2)C1	ZINC000790857570	682707753	/nfs/dbraw/zinc/70/77/53/682707753.db2.gz	UIDZLXOKBMADJR-UHFFFAOYSA-N	1	1	365.474	2.477	20	30		FEEDMO
C=C(CO)C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000791373888	682738888	/nfs/dbraw/zinc/73/88/88/682738888.db2.gz	JJDWEYSZASLRGO-MRXNPFEDSA-N	1	1	356.388	2.448	20	30		FEEDMO
C=CCCCS(=O)(=O)N1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1	ZINC000856544465	682792946	/nfs/dbraw/zinc/79/29/46/682792946.db2.gz	OVQYGLGPHBOOFX-GOSISDBHSA-N	1	1	367.515	2.282	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc2c(cc1Br)OCO2	ZINC000857011413	682843343	/nfs/dbraw/zinc/84/33/43/682843343.db2.gz	QRZZFTZRSSUOES-NSHDSACASA-N	1	1	366.211	2.432	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc2c(cc1Br)OCO2	ZINC000857011413	682843349	/nfs/dbraw/zinc/84/33/49/682843349.db2.gz	QRZZFTZRSSUOES-NSHDSACASA-N	1	1	366.211	2.432	20	30		FEEDMO
N#Cc1c(F)cccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1	ZINC000859275728	683070920	/nfs/dbraw/zinc/07/09/20/683070920.db2.gz	CEVKAOAZCZCXOU-AWEZNQCLSA-N	1	1	351.447	2.383	20	30		FEEDMO
CC1(C)C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@@](C)(C(F)(F)F)O1	ZINC000859315471	683081170	/nfs/dbraw/zinc/08/11/70/683081170.db2.gz	DRMRCUJMEVTHTD-HIFRSBDPSA-N	1	1	364.408	2.490	20	30		FEEDMO
CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@@](C)(C(F)(F)F)O1	ZINC000859315471	683081172	/nfs/dbraw/zinc/08/11/72/683081172.db2.gz	DRMRCUJMEVTHTD-HIFRSBDPSA-N	1	1	364.408	2.490	20	30		FEEDMO
N#CCc1cccc2c1CC[N@H+](CCc1ccc(S(N)(=O)=O)cc1)C2	ZINC000860107227	683203905	/nfs/dbraw/zinc/20/39/05/683203905.db2.gz	CNDCLVFMBJUOOZ-UHFFFAOYSA-N	1	1	355.463	2.001	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)C1=O	ZINC000799120034	683424542	/nfs/dbraw/zinc/42/45/42/683424542.db2.gz	RZDVEGCROYFKPH-HZPDHXFCSA-N	1	1	351.491	2.352	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)c2cccc(Br)c2)C1=O	ZINC000799175992	683433686	/nfs/dbraw/zinc/43/36/86/683433686.db2.gz	AAJRYHLLQNRVDD-HUUCEWRRSA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)c2cccc(Br)c2)C1=O	ZINC000799175992	683433690	/nfs/dbraw/zinc/43/36/90/683433690.db2.gz	AAJRYHLLQNRVDD-HUUCEWRRSA-N	1	1	353.260	2.201	20	30		FEEDMO
Cn1nc(-c2ccccc2)c(C=NNCCC[NH+]2CCOCC2)c1Cl	ZINC000799489992	683460267	/nfs/dbraw/zinc/46/02/67/683460267.db2.gz	KSUYABLAVQITAG-UHFFFAOYSA-N	1	1	361.877	2.386	20	30		FEEDMO
COc1cc(C(C)=NNCCC[NH+]2CCOCC2)ccc1OC(F)F	ZINC000799489745	683460456	/nfs/dbraw/zinc/46/04/56/683460456.db2.gz	AMCLKAMPNWDLGI-UHFFFAOYSA-N	1	1	357.401	2.333	20	30		FEEDMO
C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)CC1	ZINC000921438087	683467568	/nfs/dbraw/zinc/46/75/68/683467568.db2.gz	PUSBGQRPJYAULS-UHFFFAOYSA-N	1	1	360.401	2.167	20	30		FEEDMO
COCCC[N@H+](Cc1c(C)cc(C#N)cc1C)[C@H]1CCS(=O)(=O)C1	ZINC000929971141	683662936	/nfs/dbraw/zinc/66/29/36/683662936.db2.gz	MMHYBXTWPXKYPS-KRWDZBQOSA-N	1	1	350.484	2.201	20	30		FEEDMO
COCCC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@H]1CCS(=O)(=O)C1	ZINC000929971141	683662938	/nfs/dbraw/zinc/66/29/38/683662938.db2.gz	MMHYBXTWPXKYPS-KRWDZBQOSA-N	1	1	350.484	2.201	20	30		FEEDMO
CC(C)(C)OC(=O)c1ccc(C=NNCCC[NH+]2CCOCC2)s1	ZINC000863110906	683677717	/nfs/dbraw/zinc/67/77/17/683677717.db2.gz	GQKRYUAIMDFRPS-UHFFFAOYSA-N	1	1	353.488	2.349	20	30		FEEDMO
N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1	ZINC000930277458	683702980	/nfs/dbraw/zinc/70/29/80/683702980.db2.gz	COZKLCRPIYRTJV-KANFNMMFSA-N	1	1	361.873	2.326	20	30		FEEDMO
C[C@](O)(C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C(F)(F)C(F)(F)F	ZINC000930541956	683749279	/nfs/dbraw/zinc/74/92/79/683749279.db2.gz	QRPYNILNTGDVTH-AAEUAGOBSA-N	1	1	365.302	2.355	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](c2nc3c(s2)CCC3)C1	ZINC000922630024	683758175	/nfs/dbraw/zinc/75/81/75/683758175.db2.gz	NJZINLQSOANKNT-OAHLLOKOSA-N	1	1	360.527	2.476	20	30		FEEDMO
CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1	ZINC000930605301	683759140	/nfs/dbraw/zinc/75/91/40/683759140.db2.gz	YFJLYKPCJQCTKQ-RUZDIDTESA-N	1	1	362.495	2.451	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(Br)ncc2C)C1	ZINC000930930641	683804634	/nfs/dbraw/zinc/80/46/34/683804634.db2.gz	KMEWDPRIKIGSEP-LBPRGKRZSA-N	1	1	351.248	2.372	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(Br)ncc2C)C1	ZINC000930930641	683804638	/nfs/dbraw/zinc/80/46/38/683804638.db2.gz	KMEWDPRIKIGSEP-LBPRGKRZSA-N	1	1	351.248	2.372	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1	ZINC000931145484	683841258	/nfs/dbraw/zinc/84/12/58/683841258.db2.gz	ASQTZRRJVPRSGU-GFCCVEGCSA-N	1	1	351.244	2.236	20	30		FEEDMO
CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC1	ZINC000866717962	684139197	/nfs/dbraw/zinc/13/91/97/684139197.db2.gz	VCXOMOJWFJTQAJ-UHFFFAOYSA-N	1	1	353.463	2.438	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc3nc(Cl)ncc3s2)CC1	ZINC000866744987	684143910	/nfs/dbraw/zinc/14/39/10/684143910.db2.gz	ZIZGJKGBVZXRES-UHFFFAOYSA-N	1	1	372.903	2.273	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2csc(CCC(F)(F)F)n2)C1	ZINC000923595242	684310871	/nfs/dbraw/zinc/31/08/71/684310871.db2.gz	RCXFKMWZDPFUFT-GFCCVEGCSA-N	1	1	359.417	2.394	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2csc(CCC(F)(F)F)n2)C1	ZINC000923595242	684310875	/nfs/dbraw/zinc/31/08/75/684310875.db2.gz	RCXFKMWZDPFUFT-GFCCVEGCSA-N	1	1	359.417	2.394	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1C(=O)NCC1(C)C	ZINC000931658029	684321775	/nfs/dbraw/zinc/32/17/75/684321775.db2.gz	IVGGJMGMTUVEFL-LRDDRELGSA-N	1	1	360.483	2.134	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1COCCC1(OC)OC	ZINC000931672050	684326028	/nfs/dbraw/zinc/32/60/28/684326028.db2.gz	STHVTRXDMRYGEY-HOCLYGCPSA-N	1	1	368.499	2.019	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1	ZINC000931802390	684351150	/nfs/dbraw/zinc/35/11/50/684351150.db2.gz	OYZMMOFOBBYXSN-JTQLQIEISA-N	1	1	363.771	2.318	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2nn(CC(F)(F)F)cc2Cl)C1	ZINC000931802390	684351157	/nfs/dbraw/zinc/35/11/57/684351157.db2.gz	OYZMMOFOBBYXSN-JTQLQIEISA-N	1	1	363.771	2.318	20	30		FEEDMO
C[C@H](C#N)OCC[N@H+]1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000931969142	684377819	/nfs/dbraw/zinc/37/78/19/684377819.db2.gz	YPZANXQLKFYQKP-IJLUTSLNSA-N	1	1	351.369	2.302	20	30		FEEDMO
C[C@H](C#N)OCC[N@@H+]1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000931969142	684377824	/nfs/dbraw/zinc/37/78/24/684377824.db2.gz	YPZANXQLKFYQKP-IJLUTSLNSA-N	1	1	351.369	2.302	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC[C@@H]21	ZINC000867806606	684393717	/nfs/dbraw/zinc/39/37/17/684393717.db2.gz	GXSUNPWZOUGVQJ-NHYWBVRUSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[C@]1([C@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)COC(=O)N1	ZINC000932026545	684393815	/nfs/dbraw/zinc/39/38/15/684393815.db2.gz	SPROSAQYVIFGGD-SUMWQHHRSA-N	1	1	362.455	2.159	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC[C@H]21	ZINC000867813313	684397392	/nfs/dbraw/zinc/39/73/92/684397392.db2.gz	UXYXSFKPDUHFGE-BXUZGUMPSA-N	1	1	373.400	2.292	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])c1nc(CC(=O)NCc2ccc(F)cc2F)no1	ZINC000872180523	684925327	/nfs/dbraw/zinc/92/53/27/684925327.db2.gz	QJXFSQIONZLIPH-GFCCVEGCSA-N	1	1	356.760	2.349	20	30		FEEDMO
C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c1O	ZINC000872793703	685016545	/nfs/dbraw/zinc/01/65/45/685016545.db2.gz	CKRVTWOOHZPHSY-NVXWUHKLSA-N	1	1	365.495	2.386	20	30		FEEDMO
CN(C)c1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000876734716	686256543	/nfs/dbraw/zinc/25/65/43/686256543.db2.gz	JECLNOAXLZHSGN-OAHLLOKOSA-N	1	1	354.376	2.219	20	30		FEEDMO
CN(C)c1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000876734716	686256547	/nfs/dbraw/zinc/25/65/47/686256547.db2.gz	JECLNOAXLZHSGN-OAHLLOKOSA-N	1	1	354.376	2.219	20	30		FEEDMO
C=CC[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCCc2cccs2)CC1	ZINC000878219683	686543895	/nfs/dbraw/zinc/54/38/95/686543895.db2.gz	PKCSHEWWRXGRHH-MRXNPFEDSA-N	1	1	350.484	2.237	20	30		FEEDMO
C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@H+](CC(=O)NCCC#N)[C@@H]1C	ZINC000878880714	686682346	/nfs/dbraw/zinc/68/23/46/686682346.db2.gz	KHMXBIWKZSBUKL-RBSFLKMASA-N	1	1	352.479	2.030	20	30		FEEDMO
C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@@H+](CC(=O)NCCC#N)[C@@H]1C	ZINC000878880714	686682349	/nfs/dbraw/zinc/68/23/49/686682349.db2.gz	KHMXBIWKZSBUKL-RBSFLKMASA-N	1	1	352.479	2.030	20	30		FEEDMO
CN(C[C@H](O)C[N@@H+](C)Cc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C	ZINC000879081203	686733237	/nfs/dbraw/zinc/73/32/37/686733237.db2.gz	VNPIRQQKRZHGDA-OAHLLOKOSA-N	1	1	351.422	2.357	20	30		FEEDMO
C[C@@H]1C[N@H+](CCOCCC#N)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1	ZINC000880219435	687017842	/nfs/dbraw/zinc/01/78/42/687017842.db2.gz	NNYURPJSZUQQPL-CRAIPNDOSA-N	1	1	353.463	2.017	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCOCCC#N)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1	ZINC000880219435	687017847	/nfs/dbraw/zinc/01/78/47/687017847.db2.gz	NNYURPJSZUQQPL-CRAIPNDOSA-N	1	1	353.463	2.017	20	30		FEEDMO
CO[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000880301675	687029616	/nfs/dbraw/zinc/02/96/16/687029616.db2.gz	WPYVZSAQSWVICQ-HOCLYGCPSA-N	1	1	358.360	2.146	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1	ZINC000880323012	687034871	/nfs/dbraw/zinc/03/48/71/687034871.db2.gz	MWNDFVHRHCFRMT-CHWSQXEVSA-N	1	1	351.472	2.108	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1	ZINC000880323012	687034872	/nfs/dbraw/zinc/03/48/72/687034872.db2.gz	MWNDFVHRHCFRMT-CHWSQXEVSA-N	1	1	351.472	2.108	20	30		FEEDMO
C[C@@H]1CC[C@H](CO)[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000880438679	687048991	/nfs/dbraw/zinc/04/89/91/687048991.db2.gz	RUCUBWMPTNCLNG-CZUORRHYSA-N	1	1	354.372	2.018	20	30		FEEDMO
CN(CC[NH+]1CC2(C1)CCOCC2)c1ncc(C#N)cc1Br	ZINC000882706232	687447985	/nfs/dbraw/zinc/44/79/85/687447985.db2.gz	RHRIDZVOWZGFSF-UHFFFAOYSA-N	1	1	365.275	2.264	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(Br)c(C#N)n3)C2)C1	ZINC000883111316	687567409	/nfs/dbraw/zinc/56/74/09/687567409.db2.gz	ZPBXTLIATWQJSS-HNNXBMFYSA-N	1	1	364.247	2.275	20	30		FEEDMO
C#CC[N@H+](CCC1OCCCO1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427617	688254563	/nfs/dbraw/zinc/25/45/63/688254563.db2.gz	QXENABHKZZXAAT-UHFFFAOYSA-N	1	1	352.475	2.474	20	30		FEEDMO
N#CCCc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1	ZINC000886886692	688332307	/nfs/dbraw/zinc/33/23/07/688332307.db2.gz	PMNVPHYJZZZTAB-LJQANCHMSA-N	1	1	355.463	2.478	20	30		FEEDMO
Cc1c(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cnn1CCC#N	ZINC000888118531	688548161	/nfs/dbraw/zinc/54/81/61/688548161.db2.gz	XVYPXGRKXLSHCM-CYBMUJFWSA-N	1	1	357.483	2.343	20	30		FEEDMO
Cc1c(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cnn1CCC#N	ZINC000888118531	688548163	/nfs/dbraw/zinc/54/81/63/688548163.db2.gz	XVYPXGRKXLSHCM-CYBMUJFWSA-N	1	1	357.483	2.343	20	30		FEEDMO
Cn1nc(Br)nc1C[NH2+]CCSCc1ccccc1C#N	ZINC000894152733	689476357	/nfs/dbraw/zinc/47/63/57/689476357.db2.gz	BKCHOFKUQXFJQP-UHFFFAOYSA-N	1	1	366.288	2.472	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccccc1N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000895565763	689736589	/nfs/dbraw/zinc/73/65/89/689736589.db2.gz	XYIDRCXRHRGJGQ-ZBFHGGJFSA-N	1	1	367.540	2.143	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccccc1N[C@@H]1CCC[N@H+]2CCSC[C@@H]12	ZINC000895565763	689736592	/nfs/dbraw/zinc/73/65/92/689736592.db2.gz	XYIDRCXRHRGJGQ-ZBFHGGJFSA-N	1	1	367.540	2.143	20	30		FEEDMO
N#Cc1csc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)n1	ZINC000897302804	690002615	/nfs/dbraw/zinc/00/26/15/690002615.db2.gz	XMZIIDBFLQULPB-UHFFFAOYSA-N	1	1	355.467	2.432	20	30		FEEDMO
C#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)cc1	ZINC000906948059	691351719	/nfs/dbraw/zinc/35/17/19/691351719.db2.gz	RBVQHSKVZONUGU-VQIMIIECSA-N	1	1	364.511	2.083	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@@H]21	ZINC001164668054	719396859	/nfs/dbraw/zinc/39/68/59/719396859.db2.gz	PTBRLYDUCJUUOZ-IRXDYDNUSA-N	1	1	373.819	2.327	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@@H]21	ZINC001164668960	719483036	/nfs/dbraw/zinc/48/30/36/719483036.db2.gz	RUBVNNYFOPXPDX-HOTGVXAUSA-N	1	1	371.828	2.313	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164726915	720370707	/nfs/dbraw/zinc/37/07/07/720370707.db2.gz	PVTQOICXPLIRCG-IRXDYDNUSA-N	1	1	350.382	2.110	20	30		FEEDMO
N#Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc2ccccc12	ZINC001164746444	720760838	/nfs/dbraw/zinc/76/08/38/720760838.db2.gz	YECNTQCOEOQBAD-SJORKVTESA-N	1	1	372.432	2.238	20	30		FEEDMO
N#Cc1cnc(Cl)cc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164870888	721052824	/nfs/dbraw/zinc/05/28/24/721052824.db2.gz	WZQQWQAZUBVRGX-SJORKVTESA-N	1	1	369.856	2.481	20	30		FEEDMO
N#Cc1cc(Cl)cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164865716	721076956	/nfs/dbraw/zinc/07/69/56/721076956.db2.gz	OUXJGDNWONJHOG-ROUUACIJSA-N	1	1	369.856	2.481	20	30		FEEDMO
Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(C#N)c1	ZINC001164887193	721386803	/nfs/dbraw/zinc/38/68/03/721386803.db2.gz	HHGRTRHEPGNZPW-PZJWPPBQSA-N	1	1	369.513	2.027	20	30		FEEDMO
COc1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N	ZINC001164902678	721527071	/nfs/dbraw/zinc/52/70/71/721527071.db2.gz	AYTRJPIUEHYCPQ-RDJZCZTQSA-N	1	1	368.412	2.443	20	30		FEEDMO
C=CC[NH+]1CCN(c2nc(Cl)nc3c2ncn3[C@@H]2CCCCO2)CC1	ZINC001165031897	721867041	/nfs/dbraw/zinc/86/70/41/721867041.db2.gz	YUWSTOGHADUOSN-ZDUSSCGKSA-N	1	1	362.865	2.487	20	30		FEEDMO
Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1C#N	ZINC001164981559	722111103	/nfs/dbraw/zinc/11/11/03/722111103.db2.gz	UNSHLMWLUDIQAT-AZUAARDMSA-N	1	1	363.465	2.384	20	30		FEEDMO
N#Cc1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1F	ZINC001164980434	722117640	/nfs/dbraw/zinc/11/76/40/722117640.db2.gz	RECRPXRDMSGRFC-ROUUACIJSA-N	1	1	367.428	2.215	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1	ZINC000025698421	539766765	/nfs/dbraw/zinc/76/67/65/539766765.db2.gz	AZPBUFCHANDTRO-UYAOXDASSA-N	1	1	369.440	2.448	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1C#N)[NH+]1CCOCC1	ZINC000029783439	539864394	/nfs/dbraw/zinc/86/43/94/539864394.db2.gz	XEIHSADVPYOHRJ-AEFFLSMTSA-N	1	1	359.470	2.189	20	30		FEEDMO
Brc1ccc2c(c1)C(=NNCCC[NH+]1CCOCC1)CC2	ZINC000800817818	674078352	/nfs/dbraw/zinc/07/83/52/674078352.db2.gz	VAXHQCAZLXZROD-UHFFFAOYSA-N	1	1	352.276	2.411	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)c2cccc(C#N)c2)c2cccs2)CC1	ZINC000046708229	540267227	/nfs/dbraw/zinc/26/72/27/540267227.db2.gz	DGQKDZAVJUPLAA-QGZVFWFLSA-N	1	1	354.479	2.338	20	30		FEEDMO
COc1cccc([C@@H](CNS(=O)(=O)c2ccc(C#N)cc2)[NH+](C)C)c1	ZINC000047032885	540286074	/nfs/dbraw/zinc/28/60/74/540286074.db2.gz	KQECJTHAQSPPLX-GOSISDBHSA-N	1	1	359.451	2.148	20	30		FEEDMO
C=CCOc1ccc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC	ZINC000047434105	540310154	/nfs/dbraw/zinc/31/01/54/540310154.db2.gz	GACGSDVUKNUZAA-IYBDPMFKSA-N	1	1	362.470	2.489	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[N@H+]1CCCC[C@H]1C	ZINC000050112094	540400260	/nfs/dbraw/zinc/40/02/60/540400260.db2.gz	GXZNYTIURGSWGM-SJORKVTESA-N	1	1	370.501	2.048	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN(c2cccc(F)c2C#N)CC1)Cc1ccccc1	ZINC000051123887	540423428	/nfs/dbraw/zinc/42/34/28/540423428.db2.gz	DLQMMQLWYALFMG-UHFFFAOYSA-N	1	1	366.440	2.478	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN(c2cccc(F)c2C#N)CC1)Cc1ccccc1	ZINC000051123887	540423431	/nfs/dbraw/zinc/42/34/31/540423431.db2.gz	DLQMMQLWYALFMG-UHFFFAOYSA-N	1	1	366.440	2.478	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1	ZINC000052594181	540476358	/nfs/dbraw/zinc/47/63/58/540476358.db2.gz	SIJFJMDEPBAFIE-GOSISDBHSA-N	1	1	355.486	2.264	20	30		FEEDMO
CC[NH+](CC)CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000053954732	540560561	/nfs/dbraw/zinc/56/05/61/540560561.db2.gz	XSHQBMIBRFCFIB-UHFFFAOYSA-N	1	1	357.502	2.117	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1	ZINC000054851221	540614884	/nfs/dbraw/zinc/61/48/84/540614884.db2.gz	GTWDOGQXHHZFMH-OAHLLOKOSA-N	1	1	372.469	2.132	20	30		FEEDMO
CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1	ZINC000054875841	540615724	/nfs/dbraw/zinc/61/57/24/540615724.db2.gz	UXBCDUIKXXUMQO-UHFFFAOYSA-N	1	1	372.469	2.084	20	30		FEEDMO
CCCCOCCNC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000055903230	540685205	/nfs/dbraw/zinc/68/52/05/540685205.db2.gz	RWAHCTIJCSPLQC-UHFFFAOYSA-N	1	1	358.486	2.003	20	30		FEEDMO
CCCCOCCNC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000055903230	540685208	/nfs/dbraw/zinc/68/52/08/540685208.db2.gz	RWAHCTIJCSPLQC-UHFFFAOYSA-N	1	1	358.486	2.003	20	30		FEEDMO
C=C(C)CN(CC)C(=O)CN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1	ZINC000066534193	541333675	/nfs/dbraw/zinc/33/36/75/541333675.db2.gz	DJMWPRUOLBVEJW-UHFFFAOYSA-N	1	1	372.557	2.161	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000066619804	541348256	/nfs/dbraw/zinc/34/82/56/541348256.db2.gz	WAGJQHGRNDWREN-GOSISDBHSA-N	1	1	356.470	2.314	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2	ZINC000066898794	541388255	/nfs/dbraw/zinc/38/82/55/541388255.db2.gz	MSDSVCXVUKMQTE-QGZVFWFLSA-N	1	1	368.437	2.251	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2	ZINC000066898794	541388259	/nfs/dbraw/zinc/38/82/59/541388259.db2.gz	MSDSVCXVUKMQTE-QGZVFWFLSA-N	1	1	368.437	2.251	20	30		FEEDMO
CC(C)(C)OC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000067141669	541423278	/nfs/dbraw/zinc/42/32/78/541423278.db2.gz	XFRFMHUSSUXDKX-UHFFFAOYSA-N	1	1	372.469	2.117	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C	ZINC000067345062	541447085	/nfs/dbraw/zinc/44/70/85/541447085.db2.gz	UNLCNXZCOITINF-LSDHHAIUSA-N	1	1	372.469	2.275	20	30		FEEDMO
C=CC[N@@H+](CCc1ccccc1)CC(=O)N[C@@H](C)C(=O)N1CCCCC1	ZINC000068334408	541578602	/nfs/dbraw/zinc/57/86/02/541578602.db2.gz	BHQYRROFYZWUII-SFHVURJKSA-N	1	1	357.498	2.234	20	30		FEEDMO
C=CC[N@H+](CCc1ccccc1)CC(=O)N[C@@H](C)C(=O)N1CCCCC1	ZINC000068334408	541578603	/nfs/dbraw/zinc/57/86/03/541578603.db2.gz	BHQYRROFYZWUII-SFHVURJKSA-N	1	1	357.498	2.234	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000069412445	541685142	/nfs/dbraw/zinc/68/51/42/541685142.db2.gz	UCQSTGSSFSKEQO-IAGOWNOFSA-N	1	1	373.476	2.450	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1	ZINC000069988383	541729713	/nfs/dbraw/zinc/72/97/13/541729713.db2.gz	KKIVMCDEPCUJFW-UHFFFAOYSA-N	1	1	372.469	2.227	20	30		FEEDMO
CCc1nsc(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)n1	ZINC000072836049	541877533	/nfs/dbraw/zinc/87/75/33/541877533.db2.gz	ZHCOKMZCGKHUOR-UHFFFAOYSA-N	1	1	370.482	2.123	20	30		FEEDMO
CCCNC(=O)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000075676341	542197102	/nfs/dbraw/zinc/19/71/02/542197102.db2.gz	DZCKCNUPRZGDAC-MRXNPFEDSA-N	1	1	353.426	2.346	20	30		FEEDMO
CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000075676341	542197106	/nfs/dbraw/zinc/19/71/06/542197106.db2.gz	DZCKCNUPRZGDAC-MRXNPFEDSA-N	1	1	353.426	2.346	20	30		FEEDMO
CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1=O	ZINC000076152522	542238599	/nfs/dbraw/zinc/23/85/99/542238599.db2.gz	RYEYNDFWZOVNJM-DLBZAZTESA-N	1	1	354.454	2.479	20	30		FEEDMO
CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1=O	ZINC000076152522	542238602	/nfs/dbraw/zinc/23/86/02/542238602.db2.gz	RYEYNDFWZOVNJM-DLBZAZTESA-N	1	1	354.454	2.479	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1	ZINC000076198728	542242437	/nfs/dbraw/zinc/24/24/37/542242437.db2.gz	OQOBWOHHBWHOPK-MRXNPFEDSA-N	1	1	371.403	2.062	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)ccc1F	ZINC000076639449	542303194	/nfs/dbraw/zinc/30/31/94/542303194.db2.gz	SJDILEJNCAKXFP-INIZCTEOSA-N	1	1	358.417	2.017	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000077541617	542395128	/nfs/dbraw/zinc/39/51/28/542395128.db2.gz	PZAPNWIROFZHKB-ZDUSSCGKSA-N	1	1	360.433	2.263	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000078615866	542471124	/nfs/dbraw/zinc/47/11/24/542471124.db2.gz	NDYUMYZMJAMSAP-KRWDZBQOSA-N	1	1	359.451	2.408	20	30		FEEDMO
C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1	ZINC000050033726	221030121	/nfs/dbraw/zinc/03/01/21/221030121.db2.gz	TULSKDMBWGKEHT-HXUWFJFHSA-N	1	1	361.445	2.387	20	30		FEEDMO
C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1	ZINC000050033726	221030123	/nfs/dbraw/zinc/03/01/23/221030123.db2.gz	TULSKDMBWGKEHT-HXUWFJFHSA-N	1	1	361.445	2.387	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064633143	221148496	/nfs/dbraw/zinc/14/84/96/221148496.db2.gz	NDVAKZSHVLOFNV-UHFFFAOYSA-N	1	1	374.448	2.366	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)CC2)cc1	ZINC000079381733	542514503	/nfs/dbraw/zinc/51/45/03/542514503.db2.gz	GSIZNAAZCVKUFJ-GOSISDBHSA-N	1	1	363.465	2.121	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCc4c[nH]nc4C3)CC2)cc1	ZINC000079381733	542514506	/nfs/dbraw/zinc/51/45/06/542514506.db2.gz	GSIZNAAZCVKUFJ-GOSISDBHSA-N	1	1	363.465	2.121	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCc4c[nH]nc4C3)CC2)cc1	ZINC000079381737	542514940	/nfs/dbraw/zinc/51/49/40/542514940.db2.gz	GSIZNAAZCVKUFJ-SFHVURJKSA-N	1	1	363.465	2.121	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCc4c[nH]nc4C3)CC2)cc1	ZINC000079381737	542514944	/nfs/dbraw/zinc/51/49/44/542514944.db2.gz	GSIZNAAZCVKUFJ-SFHVURJKSA-N	1	1	363.465	2.121	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)[NH+]1CCOCC1	ZINC000080326244	542584304	/nfs/dbraw/zinc/58/43/04/542584304.db2.gz	MNVLPLUVDBDJNB-QUCCMNQESA-N	1	1	373.497	2.435	20	30		FEEDMO
NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C#Cc3ccccc3)cc2)C1	ZINC000080612434	542598125	/nfs/dbraw/zinc/59/81/25/542598125.db2.gz	CYTXXUCLENMEAZ-IBGZPJMESA-N	1	1	361.445	2.374	20	30		FEEDMO
CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000081576427	542666070	/nfs/dbraw/zinc/66/60/70/542666070.db2.gz	XWVYVKLXDMEMSP-CQSZACIVSA-N	1	1	364.877	2.209	20	30		FEEDMO
CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000551750245	674161204	/nfs/dbraw/zinc/16/12/04/674161204.db2.gz	MVPQEMQGWBHIPA-AWEZNQCLSA-N	1	1	360.483	2.183	20	30		FEEDMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000551750245	674161206	/nfs/dbraw/zinc/16/12/06/674161206.db2.gz	MVPQEMQGWBHIPA-AWEZNQCLSA-N	1	1	360.483	2.183	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cc(N3CCCC3=O)ccc2Cl)CC1	ZINC000089781845	542770519	/nfs/dbraw/zinc/77/05/19/542770519.db2.gz	FIARVVDNVLTMJB-UHFFFAOYSA-N	1	1	359.857	2.248	20	30		FEEDMO
CCSCC[C@H](C)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000091623539	542816837	/nfs/dbraw/zinc/81/68/37/542816837.db2.gz	MYCPPHBSHOYCAQ-IRXDYDNUSA-N	1	1	354.564	2.142	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1OC	ZINC000091897875	542831694	/nfs/dbraw/zinc/83/16/94/542831694.db2.gz	NMJSZPXPHHJFET-INIZCTEOSA-N	1	1	368.499	2.162	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)NC(C)C)C2)cc1OC	ZINC000091897875	542831697	/nfs/dbraw/zinc/83/16/97/542831697.db2.gz	NMJSZPXPHHJFET-INIZCTEOSA-N	1	1	368.499	2.162	20	30		FEEDMO
CC[N@@H+](CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C1CC1	ZINC000092222422	542849475	/nfs/dbraw/zinc/84/94/75/542849475.db2.gz	SMNNWZYKLWAOCA-UHFFFAOYSA-N	1	1	371.485	2.427	20	30		FEEDMO
N#CCCCOc1cccc(C[N@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1	ZINC000092071430	542843911	/nfs/dbraw/zinc/84/39/11/542843911.db2.gz	KTDQBGYFTDGMMH-SFHVURJKSA-N	1	1	363.483	2.025	20	30		FEEDMO
N#CCCCOc1cccc(C[N@@H+]2CC[C@H](S(=O)(=O)NC3CC3)C2)c1	ZINC000092071430	542843913	/nfs/dbraw/zinc/84/39/13/542843913.db2.gz	KTDQBGYFTDGMMH-SFHVURJKSA-N	1	1	363.483	2.025	20	30		FEEDMO
COc1cc(/C=C/C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCC#N	ZINC000247423270	549332896	/nfs/dbraw/zinc/33/28/96/549332896.db2.gz	OCYIDDPWPNRGEI-UTDDRVLSSA-N	1	1	357.454	2.409	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1	ZINC000102521164	543071846	/nfs/dbraw/zinc/07/18/46/543071846.db2.gz	HNJSXIXMKIALEY-CQSZACIVSA-N	1	1	368.441	2.072	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)C[C@@H](C)O1	ZINC000103470118	543109276	/nfs/dbraw/zinc/10/92/76/543109276.db2.gz	GGKMXPJMHGUNHI-LMMKCTJWSA-N	1	1	370.497	2.460	20	30		FEEDMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000104074977	543122240	/nfs/dbraw/zinc/12/22/40/543122240.db2.gz	UPLRABOLOGAYLU-VXGBXAGGSA-N	1	1	360.483	2.023	20	30		FEEDMO
CCCCNC(=O)NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104714161	543138613	/nfs/dbraw/zinc/13/86/13/543138613.db2.gz	HHKALAWSZXXLNC-UHFFFAOYSA-N	1	1	358.442	2.027	20	30		FEEDMO
N#Cc1ccccc1OCC[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000106149794	543208327	/nfs/dbraw/zinc/20/83/27/543208327.db2.gz	KMKOJKZFRQVRRH-UHFFFAOYSA-N	1	1	367.453	2.405	20	30		FEEDMO
C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000106863796	543250493	/nfs/dbraw/zinc/25/04/93/543250493.db2.gz	JSQAAWPYZMOLIR-YOEHRIQHSA-N	1	1	368.399	2.408	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](Cn2cncn2)C1	ZINC000108879479	543307342	/nfs/dbraw/zinc/30/73/42/543307342.db2.gz	KVNWMXPIMNEGKG-PKOBYXMFSA-N	1	1	356.470	2.159	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc(CC(=O)Nc3ccccc3OC)no2)CC1	ZINC000109429803	543324711	/nfs/dbraw/zinc/32/47/11/543324711.db2.gz	PVMURLJLIWMKDU-UHFFFAOYSA-N	1	1	354.410	2.072	20	30		FEEDMO
CC(C)(C)C[N@@H+](CCCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000109747809	543336299	/nfs/dbraw/zinc/33/62/99/543336299.db2.gz	CHQBIDKUZSGRHD-UHFFFAOYSA-N	1	1	369.469	2.413	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H]2CC(N)=O)cc1	ZINC000110524469	543360696	/nfs/dbraw/zinc/36/06/96/543360696.db2.gz	DZYSYNGJAFTHOS-KRWDZBQOSA-N	1	1	372.469	2.062	20	30		FEEDMO
CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)CS(C)(=O)=O	ZINC000112704718	543459042	/nfs/dbraw/zinc/45/90/42/543459042.db2.gz	JCFSTIDQPGJHOK-GFCCVEGCSA-N	1	1	371.890	2.295	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)CS(C)(=O)=O	ZINC000112704718	543459044	/nfs/dbraw/zinc/45/90/44/543459044.db2.gz	JCFSTIDQPGJHOK-GFCCVEGCSA-N	1	1	371.890	2.295	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1	ZINC000113929071	543498646	/nfs/dbraw/zinc/49/86/46/543498646.db2.gz	XUQLPMVLNYFVNK-UHFFFAOYSA-N	1	1	359.514	2.283	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H](C(C)C)CC3)CC2)o1	ZINC000114729057	543533809	/nfs/dbraw/zinc/53/38/09/543533809.db2.gz	WYVXMJZYRKPYIW-KRWDZBQOSA-N	1	1	373.501	2.261	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1	ZINC000115533324	543571229	/nfs/dbraw/zinc/57/12/29/543571229.db2.gz	QPIDNQMCZXNWIO-HKUYNNGSSA-N	1	1	362.433	2.435	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1	ZINC000115533324	543571230	/nfs/dbraw/zinc/57/12/30/543571230.db2.gz	QPIDNQMCZXNWIO-HKUYNNGSSA-N	1	1	362.433	2.435	20	30		FEEDMO
N#Cc1ccccc1OCC[N@H+]1CCCN(C(=O)c2ccccn2)CC1	ZINC000115890728	543592990	/nfs/dbraw/zinc/59/29/90/543592990.db2.gz	OIKKIDKJSIYKGN-UHFFFAOYSA-N	1	1	350.422	2.180	20	30		FEEDMO
N#Cc1ccccc1OCC[N@@H+]1CCCN(C(=O)c2ccccn2)CC1	ZINC000115890728	543592992	/nfs/dbraw/zinc/59/29/92/543592992.db2.gz	OIKKIDKJSIYKGN-UHFFFAOYSA-N	1	1	350.422	2.180	20	30		FEEDMO
CC[C@H]1CN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC[N@H+]1CCOC	ZINC000117304184	543629015	/nfs/dbraw/zinc/62/90/15/543629015.db2.gz	CPYASPZASRGWMM-YOCVDRLZSA-N	1	1	357.454	2.171	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000118019735	543643139	/nfs/dbraw/zinc/64/31/39/543643139.db2.gz	SLURNSAZLCOIAG-ZDUSSCGKSA-N	1	1	368.384	2.392	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)C1CC1	ZINC000118121068	543646352	/nfs/dbraw/zinc/64/63/52/543646352.db2.gz	MENVICXKLORXBN-AWEZNQCLSA-N	1	1	374.510	2.477	20	30		FEEDMO
C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000121297293	543692008	/nfs/dbraw/zinc/69/20/08/543692008.db2.gz	ICSFWJBFGQAGDQ-NSHDSACASA-N	1	1	359.879	2.035	20	30		FEEDMO
C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000121297293	543692011	/nfs/dbraw/zinc/69/20/11/543692011.db2.gz	ICSFWJBFGQAGDQ-NSHDSACASA-N	1	1	359.879	2.035	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](Cn2ccnn2)C1	ZINC000119032741	543662682	/nfs/dbraw/zinc/66/26/82/543662682.db2.gz	AJNXPIYPTRJGPF-NNVNDSJASA-N	1	1	372.517	2.309	20	30		FEEDMO
Cc1cc(C)nc(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)n1	ZINC000123260372	543751092	/nfs/dbraw/zinc/75/10/92/543751092.db2.gz	YHMJKNPYGJAJJJ-UHFFFAOYSA-N	1	1	364.453	2.116	20	30		FEEDMO
C=CCOc1ccccc1C[NH+]1CCN(c2ncnc3c2cnn3C)CC1	ZINC000124367545	543817440	/nfs/dbraw/zinc/81/74/40/543817440.db2.gz	XVSMPULIOSBGTF-UHFFFAOYSA-N	1	1	364.453	2.250	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1	ZINC000124801647	543843964	/nfs/dbraw/zinc/84/39/64/543843964.db2.gz	HLASDVHMYSICQC-GOSISDBHSA-N	1	1	356.470	2.201	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c(C#N)c1C	ZINC000125122699	543862282	/nfs/dbraw/zinc/86/22/82/543862282.db2.gz	CTTROXJFMLDDBB-HIFRSBDPSA-N	1	1	360.483	2.166	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c(C#N)c1C	ZINC000125122699	543862285	/nfs/dbraw/zinc/86/22/85/543862285.db2.gz	CTTROXJFMLDDBB-HIFRSBDPSA-N	1	1	360.483	2.166	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(C#N)c1C	ZINC000125122464	543862411	/nfs/dbraw/zinc/86/24/11/543862411.db2.gz	CTTROXJFMLDDBB-UKRRQHHQSA-N	1	1	360.483	2.166	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(C#N)c1C	ZINC000125122464	543862414	/nfs/dbraw/zinc/86/24/14/543862414.db2.gz	CTTROXJFMLDDBB-UKRRQHHQSA-N	1	1	360.483	2.166	20	30		FEEDMO
COC(=O)CN1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000126978968	543966636	/nfs/dbraw/zinc/96/66/36/543966636.db2.gz	MCAPIYCRNKZLQG-UHFFFAOYSA-N	1	1	370.371	2.117	20	30		FEEDMO
COC(=O)CN1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000126978968	543966637	/nfs/dbraw/zinc/96/66/37/543966637.db2.gz	MCAPIYCRNKZLQG-UHFFFAOYSA-N	1	1	370.371	2.117	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000127293884	543983604	/nfs/dbraw/zinc/98/36/04/543983604.db2.gz	PVOJKHCGKYXOOP-ZDUSSCGKSA-N	1	1	364.833	2.216	20	30		FEEDMO
N#Cc1ccc([C@H](O)C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1	ZINC000127522447	543998217	/nfs/dbraw/zinc/99/82/17/543998217.db2.gz	JOOGUYLJZDLIGD-GOSISDBHSA-N	1	1	356.857	2.458	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000128551957	544059101	/nfs/dbraw/zinc/05/91/01/544059101.db2.gz	ZUEXUNQEEIHOTK-ZDUSSCGKSA-N	1	1	359.451	2.407	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000128551957	544059104	/nfs/dbraw/zinc/05/91/04/544059104.db2.gz	ZUEXUNQEEIHOTK-ZDUSSCGKSA-N	1	1	359.451	2.407	20	30		FEEDMO
CC(C)[N@@H+]1C[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)[C@@H](C)C1	ZINC000132261832	544224655	/nfs/dbraw/zinc/22/46/55/544224655.db2.gz	OIABUYZZYPYFAX-WMZOPIPTSA-N	1	1	355.486	2.119	20	30		FEEDMO
COc1ccc(C[N@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)cc1C#N	ZINC000135109550	544334519	/nfs/dbraw/zinc/33/45/19/544334519.db2.gz	AMFLENRUIWUCKF-UHFFFAOYSA-N	1	1	373.478	2.286	20	30		FEEDMO
COc1ccc(C[N@@H+](C)CCNS(=O)(=O)c2ccc(C)cc2)cc1C#N	ZINC000135109550	544334521	/nfs/dbraw/zinc/33/45/21/544334521.db2.gz	AMFLENRUIWUCKF-UHFFFAOYSA-N	1	1	373.478	2.286	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000151376523	544534477	/nfs/dbraw/zinc/53/44/77/544534477.db2.gz	MMCQNJJFIVVGQY-AZUAARDMSA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000151376523	544534483	/nfs/dbraw/zinc/53/44/83/544534483.db2.gz	MMCQNJJFIVVGQY-AZUAARDMSA-N	1	1	364.449	2.363	20	30		FEEDMO
NC(=[NH+]OCC(=O)NCc1cccc(C(=O)NC2CC2)c1)C1CCCCC1	ZINC000151305868	544527699	/nfs/dbraw/zinc/52/76/99/544527699.db2.gz	FVEKWGYJHJLGIT-UHFFFAOYSA-N	1	1	372.469	2.064	20	30		FEEDMO
C=CC[N@H+](CCc1cn(CC(=O)OC)nn1)Cc1ccc(Cl)s1	ZINC000152959081	544716724	/nfs/dbraw/zinc/71/67/24/544716724.db2.gz	OGEVYMHEHFJLIO-UHFFFAOYSA-N	1	1	354.863	2.397	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153324925	544761769	/nfs/dbraw/zinc/76/17/69/544761769.db2.gz	JIISHABZCXQJSJ-JTQLQIEISA-N	1	1	362.384	2.033	20	30		FEEDMO
N#Cc1cccc(NCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1	ZINC000153533867	544787273	/nfs/dbraw/zinc/78/72/73/544787273.db2.gz	VKYWNKFIIZYEIM-UHFFFAOYSA-N	1	1	364.449	2.119	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C	ZINC000154413745	544903262	/nfs/dbraw/zinc/90/32/62/544903262.db2.gz	BWTBZSBYTSAUHL-JKSUJKDBSA-N	1	1	372.469	2.249	20	30		FEEDMO
CCC[N@@H+](C)[C@@H](CNC(=O)Cn1cnc(C#N)n1)c1ccc(Cl)cc1	ZINC000553027405	674234220	/nfs/dbraw/zinc/23/42/20/674234220.db2.gz	YPNZOGXMPFDLPG-HNNXBMFYSA-N	1	1	360.849	2.002	20	30		FEEDMO
N#Cc1ccccc1OCc1ccc(C(=O)NCC[N@@H+]2CCCOCC2)o1	ZINC000189390314	328145055	/nfs/dbraw/zinc/14/50/55/328145055.db2.gz	XYSLWVSLWBFIEC-UHFFFAOYSA-N	1	1	369.421	2.182	20	30		FEEDMO
N#Cc1ccccc1OCc1ccc(C(=O)NCC[N@H+]2CCCOCC2)o1	ZINC000189390314	328145056	/nfs/dbraw/zinc/14/50/56/328145056.db2.gz	XYSLWVSLWBFIEC-UHFFFAOYSA-N	1	1	369.421	2.182	20	30		FEEDMO
Cc1nn(C)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000189682529	328161837	/nfs/dbraw/zinc/16/18/37/328161837.db2.gz	YXWWYZGFEDAFQC-UHFFFAOYSA-N	1	1	352.442	2.340	20	30		FEEDMO
Cc1nn(C)cc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000189682529	328161838	/nfs/dbraw/zinc/16/18/38/328161838.db2.gz	YXWWYZGFEDAFQC-UHFFFAOYSA-N	1	1	352.442	2.340	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1(CO)CCOCC1	ZINC000190990832	328244047	/nfs/dbraw/zinc/24/40/47/328244047.db2.gz	QJQIBYFJUHLOJB-UHFFFAOYSA-N	1	1	351.834	2.014	20	30		FEEDMO
Cn1cc(C[N@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1C#N	ZINC000191277048	328257846	/nfs/dbraw/zinc/25/78/46/328257846.db2.gz	SEKINAAYHRDCQX-UHFFFAOYSA-N	1	1	361.467	2.201	20	30		FEEDMO
Cn1cc(C[N@@H+](C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1C#N	ZINC000191277048	328257847	/nfs/dbraw/zinc/25/78/47/328257847.db2.gz	SEKINAAYHRDCQX-UHFFFAOYSA-N	1	1	361.467	2.201	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(Cc2cc(C#N)ccc2Br)C[C@@H]1C	ZINC000191784746	328281705	/nfs/dbraw/zinc/28/17/05/328281705.db2.gz	ONPKKEJUHBQUJV-QWHCGFSZSA-N	1	1	352.276	2.208	20	30		FEEDMO
COC(=O)[C@H](O)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1	ZINC000191814962	328283395	/nfs/dbraw/zinc/28/33/95/328283395.db2.gz	WPXDZQBNPJKYND-OAHLLOKOSA-N	1	1	367.243	2.067	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)o1	ZINC000192846630	328343110	/nfs/dbraw/zinc/34/31/10/328343110.db2.gz	FGGVTZAXEBVCQR-WMLDXEAASA-N	1	1	359.474	2.014	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000193423648	328374603	/nfs/dbraw/zinc/37/46/03/328374603.db2.gz	TXMUTBDQQIJGHO-INIZCTEOSA-N	1	1	359.474	2.014	20	30		FEEDMO
Cn1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(-c2cccnc2)n1	ZINC000193691373	328389795	/nfs/dbraw/zinc/38/97/95/328389795.db2.gz	XFMOHIBALDNLBF-UHFFFAOYSA-N	1	1	359.437	2.071	20	30		FEEDMO
CNC(=O)c1ccc(C[N@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc1	ZINC000083132262	325213358	/nfs/dbraw/zinc/21/33/58/325213358.db2.gz	FAVBOEQJOCGRMG-MRXNPFEDSA-N	1	1	368.462	2.217	20	30		FEEDMO
CNC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCN(c3sccc3C#N)C2=O)cc1	ZINC000083132262	325213360	/nfs/dbraw/zinc/21/33/60/325213360.db2.gz	FAVBOEQJOCGRMG-MRXNPFEDSA-N	1	1	368.462	2.217	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1	ZINC000089874177	325338692	/nfs/dbraw/zinc/33/86/92/325338692.db2.gz	UOLZRHJXRJVEAB-MSOLQXFVSA-N	1	1	368.412	2.454	20	30		FEEDMO
CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)n1	ZINC000089942683	325343722	/nfs/dbraw/zinc/34/37/22/325343722.db2.gz	NFJGCXWICXJUAV-GFCCVEGCSA-N	1	1	361.450	2.045	20	30		FEEDMO
CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)n1	ZINC000089942683	325343725	/nfs/dbraw/zinc/34/37/25/325343725.db2.gz	NFJGCXWICXJUAV-GFCCVEGCSA-N	1	1	361.450	2.045	20	30		FEEDMO
CC(C)c1cccc(NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089942652	325343902	/nfs/dbraw/zinc/34/39/02/325343902.db2.gz	GTLGMRAFSRWOOA-UHFFFAOYSA-N	1	1	354.458	2.490	20	30		FEEDMO
N#Cc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1	ZINC000101554586	325471669	/nfs/dbraw/zinc/47/16/69/325471669.db2.gz	DVKHAUFZLADIGZ-SFHVURJKSA-N	1	1	355.413	2.259	20	30		FEEDMO
CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1	ZINC000116890920	326040586	/nfs/dbraw/zinc/04/05/86/326040586.db2.gz	UESLOZQWVOIHQQ-SFHVURJKSA-N	1	1	355.463	2.349	20	30		FEEDMO
CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000117343006	326058427	/nfs/dbraw/zinc/05/84/27/326058427.db2.gz	WYCUCWQWEKDORM-INIZCTEOSA-N	1	1	359.474	2.015	20	30		FEEDMO
CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(c2ncccc2C#N)CC1	ZINC000118780470	326101894	/nfs/dbraw/zinc/10/18/94/326101894.db2.gz	VOYZCWDJIVYLBI-GOSISDBHSA-N	1	1	355.486	2.255	20	30		FEEDMO
C[C@H](c1cccnc1)N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000118836555	326106674	/nfs/dbraw/zinc/10/66/74/326106674.db2.gz	YIYQRFVZDSLQCY-XLIONFOSSA-N	1	1	366.465	2.072	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)[C@H](C)C1	ZINC000119708147	326189720	/nfs/dbraw/zinc/18/97/20/326189720.db2.gz	HVCZSYUCBRBEDD-WBMJQRKESA-N	1	1	362.861	2.339	20	30		FEEDMO
COC(=O)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)o1	ZINC000120155237	326235708	/nfs/dbraw/zinc/23/57/08/326235708.db2.gz	FAHLSHQOJCGSJT-UHFFFAOYSA-N	1	1	367.405	2.286	20	30		FEEDMO
COC(=O)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)o1	ZINC000120155237	326235710	/nfs/dbraw/zinc/23/57/10/326235710.db2.gz	FAHLSHQOJCGSJT-UHFFFAOYSA-N	1	1	367.405	2.286	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@H+]1CCC[C@@H](C)C1	ZINC000120735169	326283643	/nfs/dbraw/zinc/28/36/43/326283643.db2.gz	CRNOYSXDZMFKNC-KGLIPLIRSA-N	1	1	353.463	2.237	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000120953895	326301868	/nfs/dbraw/zinc/30/18/68/326301868.db2.gz	OQYROSXEBAVLTO-HZPDHXFCSA-N	1	1	351.447	2.086	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c(F)c1	ZINC000135670669	326646307	/nfs/dbraw/zinc/64/63/07/326646307.db2.gz	WWCTYQDRIFIASL-MRXNPFEDSA-N	1	1	370.384	2.182	20	30		FEEDMO
N#Cc1ccc(C[NH2+]Cc2ccccc2CS(=O)(=O)N2CCCC2)o1	ZINC000169216975	327088219	/nfs/dbraw/zinc/08/82/19/327088219.db2.gz	DSNAFIGMFUYIKL-UHFFFAOYSA-N	1	1	359.451	2.367	20	30		FEEDMO
Cc1noc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000171631646	327149997	/nfs/dbraw/zinc/14/99/97/327149997.db2.gz	SOEPOTPWHCGUAS-DOTOQJQBSA-N	1	1	351.410	2.235	20	30		FEEDMO
Cc1noc([C@H]2CCC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000171631646	327149998	/nfs/dbraw/zinc/14/99/98/327149998.db2.gz	SOEPOTPWHCGUAS-DOTOQJQBSA-N	1	1	351.410	2.235	20	30		FEEDMO
CNC(=O)CC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000171670722	327153776	/nfs/dbraw/zinc/15/37/76/327153776.db2.gz	XCIXENHWUDZVEA-LBPRGKRZSA-N	1	1	362.499	2.141	20	30		FEEDMO
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000173229499	327242873	/nfs/dbraw/zinc/24/28/73/327242873.db2.gz	ZCMKFNGPBVZVGN-HNNXBMFYSA-N	1	1	359.474	2.301	20	30		FEEDMO
COC(=O)CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1CCCO1	ZINC000173752874	327281284	/nfs/dbraw/zinc/28/12/84/327281284.db2.gz	RQKICBHYMOQTCM-MRXNPFEDSA-N	1	1	370.409	2.152	20	30		FEEDMO
COC(=O)CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1CCCO1	ZINC000173752874	327281285	/nfs/dbraw/zinc/28/12/85/327281285.db2.gz	RQKICBHYMOQTCM-MRXNPFEDSA-N	1	1	370.409	2.152	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NCCC[N@H+](C)Cc2ccccc2)c1C#N	ZINC000174599151	327337421	/nfs/dbraw/zinc/33/74/21/327337421.db2.gz	BBAQHSOCXYQJML-UHFFFAOYSA-N	1	1	364.449	2.444	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000264081269	328990531	/nfs/dbraw/zinc/99/05/31/328990531.db2.gz	DLHLCKJECPQKDO-IYBDPMFKSA-N	1	1	357.454	2.037	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1	ZINC000264229934	329002463	/nfs/dbraw/zinc/00/24/63/329002463.db2.gz	RFIOAFORDZDZPJ-LJQANCHMSA-N	1	1	362.433	2.450	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)[C@H]3CCN(C)C3=O)sc2C1	ZINC000265677712	329149279	/nfs/dbraw/zinc/14/92/79/329149279.db2.gz	ZTKUSZOCMQCTSM-WFASDCNBSA-N	1	1	374.510	2.236	20	30		FEEDMO
CC(C)OCCC[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000265901296	329170967	/nfs/dbraw/zinc/17/09/67/329170967.db2.gz	UXPULRLIFYTKIA-UHFFFAOYSA-N	1	1	355.442	2.429	20	30		FEEDMO
CC(C)OCCC[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000265901296	329170968	/nfs/dbraw/zinc/17/09/68/329170968.db2.gz	UXPULRLIFYTKIA-UHFFFAOYSA-N	1	1	355.442	2.429	20	30		FEEDMO
C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000266782092	329259346	/nfs/dbraw/zinc/25/93/46/329259346.db2.gz	XTYJBUAQQBVSJG-QGZVFWFLSA-N	1	1	372.469	2.116	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000266782092	329259347	/nfs/dbraw/zinc/25/93/47/329259347.db2.gz	XTYJBUAQQBVSJG-QGZVFWFLSA-N	1	1	372.469	2.116	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000268161135	329391853	/nfs/dbraw/zinc/39/18/53/329391853.db2.gz	OMJUKSYCYSTRSF-APWZRJJASA-N	1	1	367.497	2.263	20	30		FEEDMO
C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[NH+]1CCSCC1	ZINC000269684655	329540041	/nfs/dbraw/zinc/54/00/41/329540041.db2.gz	MENXECYUDAUQFO-HNNXBMFYSA-N	1	1	359.495	2.365	20	30		FEEDMO
CC[N@H+](CCO)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2	ZINC000155758685	545566048	/nfs/dbraw/zinc/56/60/48/545566048.db2.gz	ZSZDBKOPYAQHAR-UHFFFAOYSA-N	1	1	366.465	2.480	20	30		FEEDMO
CC[N@@H+](CCO)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2	ZINC000155758685	545566053	/nfs/dbraw/zinc/56/60/53/545566053.db2.gz	ZSZDBKOPYAQHAR-UHFFFAOYSA-N	1	1	366.465	2.480	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C#N	ZINC000155965505	545587350	/nfs/dbraw/zinc/58/73/50/545587350.db2.gz	ZDUPIEPMVFNXMC-DNVCBOLYSA-N	1	1	366.465	2.281	20	30		FEEDMO
CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000156167493	545604426	/nfs/dbraw/zinc/60/44/26/545604426.db2.gz	GGCWVELNBWGCGS-GOSISDBHSA-N	1	1	355.486	2.301	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(CCCOc2cccc(C#N)c2)CC1	ZINC000156294233	545615207	/nfs/dbraw/zinc/61/52/07/545615207.db2.gz	MPBVAVVYLMMVGS-FQEVSTJZSA-N	1	1	356.514	2.429	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000156739470	545654091	/nfs/dbraw/zinc/65/40/91/545654091.db2.gz	SDKMYBFTAYISBP-OCCSQVGLSA-N	1	1	374.510	2.236	20	30		FEEDMO
C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000158566032	545872240	/nfs/dbraw/zinc/87/22/40/545872240.db2.gz	XEAPVHKGRTTZQA-ZDUSSCGKSA-N	1	1	351.447	2.335	20	30		FEEDMO
N#Cc1cccc(/C=C/C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1	ZINC000159275355	545938905	/nfs/dbraw/zinc/93/89/05/545938905.db2.gz	BJGKSSVZTYCFEL-MHNQQFQPSA-N	1	1	361.445	2.107	20	30		FEEDMO
C[C@H](c1ccncc1)N1CCC([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000159929191	545992389	/nfs/dbraw/zinc/99/23/89/545992389.db2.gz	DSIIMNAHNOQZPK-QRWLVFNGSA-N	1	1	363.465	2.295	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccsc1	ZINC000478855041	561176270	/nfs/dbraw/zinc/17/62/70/561176270.db2.gz	LRUIHHYBBASRJH-MRXNPFEDSA-N	1	1	367.471	2.481	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1	ZINC000171704716	546219531	/nfs/dbraw/zinc/21/95/31/546219531.db2.gz	CHXQVTAKEKILAV-ZWKOTPCHSA-N	1	1	372.513	2.382	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[N@H+](C2CC2)CC1	ZINC000171774071	546225995	/nfs/dbraw/zinc/22/59/95/546225995.db2.gz	DQJCUYJKIWGJQQ-UHFFFAOYSA-N	1	1	372.494	2.328	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccn(CCC#N)n2)[C@H](C)C1	ZINC000173370264	546279713	/nfs/dbraw/zinc/27/97/13/546279713.db2.gz	XEONCBTXNDPEIC-CVEARBPZSA-N	1	1	362.478	2.055	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000173798331	546286680	/nfs/dbraw/zinc/28/66/80/546286680.db2.gz	PFESDSPNODSEET-OAHLLOKOSA-N	1	1	374.441	2.446	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)C1	ZINC000174505521	546297854	/nfs/dbraw/zinc/29/78/54/546297854.db2.gz	YZMKUJMMKKAIGR-JKNJVXJCSA-N	1	1	357.454	2.411	20	30		FEEDMO
CNC(=O)CC1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1	ZINC000174997908	546305190	/nfs/dbraw/zinc/30/51/90/546305190.db2.gz	LAISQIVDNWWTDZ-UHFFFAOYSA-N	1	1	370.497	2.398	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1	ZINC000175162892	546307105	/nfs/dbraw/zinc/30/71/05/546307105.db2.gz	BLBGQRZDNIDNER-IBGZPJMESA-N	1	1	355.482	2.472	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1	ZINC000175162892	546307108	/nfs/dbraw/zinc/30/71/08/546307108.db2.gz	BLBGQRZDNIDNER-IBGZPJMESA-N	1	1	355.482	2.472	20	30		FEEDMO
CC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000175387021	546309648	/nfs/dbraw/zinc/30/96/48/546309648.db2.gz	YSRXGEAEUHUCSB-FQEVSTJZSA-N	1	1	369.513	2.260	20	30		FEEDMO
CC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000175387021	546309651	/nfs/dbraw/zinc/30/96/51/546309651.db2.gz	YSRXGEAEUHUCSB-FQEVSTJZSA-N	1	1	369.513	2.260	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000175387021	546309655	/nfs/dbraw/zinc/30/96/55/546309655.db2.gz	YSRXGEAEUHUCSB-FQEVSTJZSA-N	1	1	369.513	2.260	20	30		FEEDMO
C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000175769145	546345920	/nfs/dbraw/zinc/34/59/20/546345920.db2.gz	QPNNUZUAJFIKRR-QGZVFWFLSA-N	1	1	362.493	2.407	20	30		FEEDMO
CC[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000177421429	546614178	/nfs/dbraw/zinc/61/41/78/546614178.db2.gz	OWFTZSNIDGWWEC-IEBWSBKVSA-N	1	1	352.438	2.296	20	30		FEEDMO
CC[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000177421429	546614181	/nfs/dbraw/zinc/61/41/81/546614181.db2.gz	OWFTZSNIDGWWEC-IEBWSBKVSA-N	1	1	352.438	2.296	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000481061772	561224194	/nfs/dbraw/zinc/22/41/94/561224194.db2.gz	REPUMEJIWGAGGP-UHFFFAOYSA-N	1	1	350.419	2.102	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cnc(Cl)cn3)CC2)cc1	ZINC000178166725	546750108	/nfs/dbraw/zinc/75/01/08/546750108.db2.gz	YUYBRVVTRYINEK-UHFFFAOYSA-N	1	1	355.829	2.350	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnc(Cl)cn3)CC2)cc1	ZINC000178166725	546750113	/nfs/dbraw/zinc/75/01/13/546750113.db2.gz	YUYBRVVTRYINEK-UHFFFAOYSA-N	1	1	355.829	2.350	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccccc1	ZINC000178948881	546878713	/nfs/dbraw/zinc/87/87/13/546878713.db2.gz	MUFCOCNUSAFLBR-MOPGFXCFSA-N	1	1	355.463	2.423	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1	ZINC000179469945	546959366	/nfs/dbraw/zinc/95/93/66/546959366.db2.gz	MBHCXVFVUXNVNE-RTBURBONSA-N	1	1	362.433	2.367	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccccc2O[C@H](C)C#N)CC1	ZINC000180017153	547039556	/nfs/dbraw/zinc/03/95/56/547039556.db2.gz	NTGPRPDGHJDUNY-DLBZAZTESA-N	1	1	373.501	2.373	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F	ZINC000483099726	561267404	/nfs/dbraw/zinc/26/74/04/561267404.db2.gz	MONINVCSVUYJLF-OCCSQVGLSA-N	1	1	373.375	2.216	20	30		FEEDMO
C=CCNC(=O)C[NH2+][C@H](c1ccc(C)cc1)c1cccc(S(C)(=O)=O)c1	ZINC000181161652	547260906	/nfs/dbraw/zinc/26/09/06/547260906.db2.gz	OSNLXTDYWZGYKS-HXUWFJFHSA-N	1	1	372.490	2.380	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@H](C(C)(C)C)C3)CC2)o1	ZINC000483257828	561272043	/nfs/dbraw/zinc/27/20/43/561272043.db2.gz	SDODSDMUZPLTOS-INIZCTEOSA-N	1	1	373.501	2.261	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c1	ZINC000483308918	561273741	/nfs/dbraw/zinc/27/37/41/561273741.db2.gz	RCJASRXGGPSMQX-HKUYNNGSSA-N	1	1	359.470	2.022	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CCO)[C@H]2CCO[C@H]2C)c1	ZINC000483308918	561273742	/nfs/dbraw/zinc/27/37/42/561273742.db2.gz	RCJASRXGGPSMQX-HKUYNNGSSA-N	1	1	359.470	2.022	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)cc1	ZINC000182590215	547518050	/nfs/dbraw/zinc/51/80/50/547518050.db2.gz	VMNUFDGWQXCDRN-SFHVURJKSA-N	1	1	357.454	2.184	20	30		FEEDMO
CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182735320	547543151	/nfs/dbraw/zinc/54/31/51/547543151.db2.gz	VYXVJLPWKHJROV-PKOBYXMFSA-N	1	1	368.481	2.434	20	30		FEEDMO
CCCC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182735320	547543153	/nfs/dbraw/zinc/54/31/53/547543153.db2.gz	VYXVJLPWKHJROV-PKOBYXMFSA-N	1	1	368.481	2.434	20	30		FEEDMO
CCC[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000182751180	547546769	/nfs/dbraw/zinc/54/67/69/547546769.db2.gz	VQIDSSKPXWFVCW-LJQANCHMSA-N	1	1	358.461	2.409	20	30		FEEDMO
CCCCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(N)=O	ZINC000183048716	547592666	/nfs/dbraw/zinc/59/26/66/547592666.db2.gz	GYGBAAMOWGNPCP-UHFFFAOYSA-N	1	1	362.499	2.415	20	30		FEEDMO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1	ZINC000183186194	547617635	/nfs/dbraw/zinc/61/76/35/547617635.db2.gz	RSQZOVKKHQJYEY-NSHGMRRFSA-N	1	1	370.472	2.266	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1	ZINC000183187626	547618156	/nfs/dbraw/zinc/61/81/56/547618156.db2.gz	UHTGUVDEXNVADY-QGZVFWFLSA-N	1	1	373.497	2.443	20	30		FEEDMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000183360260	547644186	/nfs/dbraw/zinc/64/41/86/547644186.db2.gz	LMEUSLPWFAXOND-IBGZPJMESA-N	1	1	357.502	2.310	20	30		FEEDMO
CC1([C@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)OCCO1	ZINC000183842377	547728575	/nfs/dbraw/zinc/72/85/75/547728575.db2.gz	CFEOWHDZIOEFQX-KRWDZBQOSA-N	1	1	357.454	2.408	20	30		FEEDMO
CC[N@@H+](CCO)CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1	ZINC000183992169	547751228	/nfs/dbraw/zinc/75/12/28/547751228.db2.gz	ZLOBYOBYTNKXEL-UHFFFAOYSA-N	1	1	367.449	2.181	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184625679	547856443	/nfs/dbraw/zinc/85/64/43/547856443.db2.gz	AFRJTQARRBBXPR-OAHLLOKOSA-N	1	1	367.457	2.335	20	30		FEEDMO
C=CCSc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000485459503	561319533	/nfs/dbraw/zinc/31/95/33/561319533.db2.gz	BDZJACICAQDTJH-KRWDZBQOSA-N	1	1	373.522	2.343	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@@H+](CCCCC#N)C2)C(=O)C1	ZINC000186475245	548140316	/nfs/dbraw/zinc/14/03/16/548140316.db2.gz	PKBUYRKBIBRXEJ-MRXNPFEDSA-N	1	1	364.490	2.224	20	30		FEEDMO
C=CC[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1	ZINC000186634877	548163332	/nfs/dbraw/zinc/16/33/32/548163332.db2.gz	GCDFETAMMBYGRK-RBUKOAKNSA-N	1	1	355.482	2.111	20	30		FEEDMO
COCCO[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000189654162	548308067	/nfs/dbraw/zinc/30/80/67/548308067.db2.gz	JXPXZIINIRRQBB-KRWDZBQOSA-N	1	1	365.861	2.324	20	30		FEEDMO
COCCO[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000189654162	548308072	/nfs/dbraw/zinc/30/80/72/548308072.db2.gz	JXPXZIINIRRQBB-KRWDZBQOSA-N	1	1	365.861	2.324	20	30		FEEDMO
C=C(C)CS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000189768293	548311441	/nfs/dbraw/zinc/31/14/41/548311441.db2.gz	FXYSBLFRXXLCOB-ROUUACIJSA-N	1	1	357.564	2.161	20	30		FEEDMO
C=C(C)CS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1	ZINC000189768293	548311445	/nfs/dbraw/zinc/31/14/45/548311445.db2.gz	FXYSBLFRXXLCOB-ROUUACIJSA-N	1	1	357.564	2.161	20	30		FEEDMO
C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(C#Cc4ccccc4)c3)C[C@H]2C1	ZINC000194924008	548551753	/nfs/dbraw/zinc/55/17/53/548551753.db2.gz	HRNCOPQHTQBXEI-BGYRXZFFSA-N	1	1	373.456	2.045	20	30		FEEDMO
CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245534471	548940899	/nfs/dbraw/zinc/94/08/99/548940899.db2.gz	VYXVJLPWKHJROV-MJGOQNOKSA-N	1	1	368.481	2.434	20	30		FEEDMO
CCCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245534471	548940904	/nfs/dbraw/zinc/94/09/04/548940904.db2.gz	VYXVJLPWKHJROV-MJGOQNOKSA-N	1	1	368.481	2.434	20	30		FEEDMO
N#Cc1ccc(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1	ZINC000245543832	548943216	/nfs/dbraw/zinc/94/32/16/548943216.db2.gz	ATBROEMLPOMBQF-OALUTQOASA-N	1	1	350.422	2.315	20	30		FEEDMO
CCS[C@@H]1CCCC[N@@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000245563196	548947908	/nfs/dbraw/zinc/94/79/08/548947908.db2.gz	PMKXNWHHCRMHKF-QZTJIDSGSA-N	1	1	366.575	2.286	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCC[N@H+]1CCC[C@H]1CO	ZINC000245722519	548982833	/nfs/dbraw/zinc/98/28/33/548982833.db2.gz	RKMPQDZFVLUDTR-AZUAARDMSA-N	1	1	373.497	2.315	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000245882520	549009063	/nfs/dbraw/zinc/00/90/63/549009063.db2.gz	NXBYSVKMSBRDTF-VQIMIIECSA-N	1	1	358.461	2.266	20	30		FEEDMO
C[C@H]([NH2+][C@H](C[S@@](C)=O)c1ccccc1)C(=O)NC1(C#N)CCCCC1	ZINC000245882209	549009332	/nfs/dbraw/zinc/00/93/32/549009332.db2.gz	NUBBXOSLWRGDKV-KBUMFOBPSA-N	1	1	361.511	2.427	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CC[N@H+]1CCOC	ZINC000245925593	549021683	/nfs/dbraw/zinc/02/16/83/549021683.db2.gz	OOSVERXLFGRYLM-FUHWJXTLSA-N	1	1	359.470	2.285	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21	ZINC000246061683	549044619	/nfs/dbraw/zinc/04/46/19/549044619.db2.gz	BICWYGZHMJSKNT-WERVVEIQSA-N	1	1	361.482	2.423	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000246163536	549066515	/nfs/dbraw/zinc/06/65/15/549066515.db2.gz	RGDCSEICIYNAKH-GDBMZVCRSA-N	1	1	364.453	2.303	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000246163536	549066518	/nfs/dbraw/zinc/06/65/18/549066518.db2.gz	RGDCSEICIYNAKH-GDBMZVCRSA-N	1	1	364.453	2.303	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC[C@H]21	ZINC000246326700	549105936	/nfs/dbraw/zinc/10/59/36/549105936.db2.gz	ZHNXUOFSMDFREK-SWLSCSKDSA-N	1	1	353.875	2.316	20	30		FEEDMO
C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC	ZINC000488495613	561390840	/nfs/dbraw/zinc/39/08/40/561390840.db2.gz	RITVBCZTMHBPPW-CYBMUJFWSA-N	1	1	362.426	2.485	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1	ZINC000246459434	549138246	/nfs/dbraw/zinc/13/82/46/549138246.db2.gz	FQVRITARQINFCX-LMMKCTJWSA-N	1	1	356.422	2.479	20	30		FEEDMO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000488824685	561397744	/nfs/dbraw/zinc/39/77/44/561397744.db2.gz	ZKRVRUBFWVDDKQ-OALUTQOASA-N	1	1	353.466	2.287	20	30		FEEDMO
C[N@@H+](CCCNS(=O)(=O)c1ccc(C#N)c(F)c1)Cc1ccccc1	ZINC000489066684	561402603	/nfs/dbraw/zinc/40/26/03/561402603.db2.gz	FXTAVYYJZFBGTF-UHFFFAOYSA-N	1	1	361.442	2.498	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC[C@H]21	ZINC000248051801	549403812	/nfs/dbraw/zinc/40/38/12/549403812.db2.gz	WLEMFKHXKURYDG-UKRRQHHQSA-N	1	1	353.875	2.316	20	30		FEEDMO
C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000248988361	549537117	/nfs/dbraw/zinc/53/71/17/549537117.db2.gz	GSYFQKHWYPMIJD-YYAJDYIMSA-N	1	1	368.481	2.037	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000250705978	549643758	/nfs/dbraw/zinc/64/37/58/549643758.db2.gz	XZGRICKVSRHWJZ-IAGOWNOFSA-N	1	1	362.518	2.202	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1	ZINC000261678231	549742147	/nfs/dbraw/zinc/74/21/47/549742147.db2.gz	JSZFTGABMICSAH-QGZVFWFLSA-N	1	1	359.426	2.341	20	30		FEEDMO
C=CCc1ccc(OCC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c(OC)c1	ZINC000261804620	549756847	/nfs/dbraw/zinc/75/68/47/549756847.db2.gz	RFNSYZJBYLVFKG-SFHVURJKSA-N	1	1	367.449	2.371	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1	ZINC000263894676	549952155	/nfs/dbraw/zinc/95/21/55/549952155.db2.gz	VEVZZEFEFOXJNT-QGZVFWFLSA-N	1	1	359.518	2.362	20	30		FEEDMO
C=C1CC[NH+](CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)CC1	ZINC000264437504	549995933	/nfs/dbraw/zinc/99/59/33/549995933.db2.gz	DVXOUIKDIPVNER-UHFFFAOYSA-N	1	1	369.509	2.378	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCO[C@@H](C#N)C1	ZINC000264439340	549996011	/nfs/dbraw/zinc/99/60/11/549996011.db2.gz	ZFQIPRRDPHDOPP-APWZRJJASA-N	1	1	356.470	2.495	20	30		FEEDMO
CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000491077011	561442498	/nfs/dbraw/zinc/44/24/98/561442498.db2.gz	KWXXROPYWDTDBV-GOSISDBHSA-N	1	1	351.454	2.449	20	30		FEEDMO
C=CC[N@H+](CCc1ccco1)CC(=O)N1CCN(Cc2ccco2)CC1	ZINC000491283067	561444420	/nfs/dbraw/zinc/44/44/20/561444420.db2.gz	HRJZNODXOLTQMO-UHFFFAOYSA-N	1	1	357.454	2.248	20	30		FEEDMO
C=CC[N@@H+](CCc1ccco1)CC(=O)N1CCN(Cc2ccco2)CC1	ZINC000491283067	561444421	/nfs/dbraw/zinc/44/44/21/561444421.db2.gz	HRJZNODXOLTQMO-UHFFFAOYSA-N	1	1	357.454	2.248	20	30		FEEDMO
C=CC[N@H+](CCc1ccco1)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000491309588	561444570	/nfs/dbraw/zinc/44/45/70/561444570.db2.gz	XJAGWANPINJXHM-UHFFFAOYSA-N	1	1	371.393	2.387	20	30		FEEDMO
C=CC[N@@H+](CCc1ccco1)CC(=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000491309588	561444571	/nfs/dbraw/zinc/44/45/71/561444571.db2.gz	XJAGWANPINJXHM-UHFFFAOYSA-N	1	1	371.393	2.387	20	30		FEEDMO
C=CC[N@H+](CCc1ccco1)CC(=O)NC[C@@H]1COc2ccccc2O1	ZINC000491354479	561444855	/nfs/dbraw/zinc/44/48/55/561444855.db2.gz	BVVWTIJCWWANIS-QGZVFWFLSA-N	1	1	356.422	2.266	20	30		FEEDMO
C=CC[N@@H+](CCc1ccco1)CC(=O)NC[C@@H]1COc2ccccc2O1	ZINC000491354479	561444856	/nfs/dbraw/zinc/44/48/56/561444856.db2.gz	BVVWTIJCWWANIS-QGZVFWFLSA-N	1	1	356.422	2.266	20	30		FEEDMO
C=CCC[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1	ZINC000269335439	550182198	/nfs/dbraw/zinc/18/21/98/550182198.db2.gz	DJKAHVBLFWTHHU-ROUUACIJSA-N	1	1	358.486	2.333	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1	ZINC000269691259	550217272	/nfs/dbraw/zinc/21/72/72/550217272.db2.gz	OHPYWPPXEZEQJE-UHFFFAOYSA-N	1	1	354.454	2.220	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+](CCCO)Cc1cccc(Cl)c1	ZINC000269704815	550218640	/nfs/dbraw/zinc/21/86/40/550218640.db2.gz	ZLACGEMWACHDTI-UHFFFAOYSA-N	1	1	362.861	2.180	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+](CCCO)Cc1cccc(Cl)c1	ZINC000269704815	550218641	/nfs/dbraw/zinc/21/86/41/550218641.db2.gz	ZLACGEMWACHDTI-UHFFFAOYSA-N	1	1	362.861	2.180	20	30		FEEDMO
C=C(C)[C@H](CC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)OCC	ZINC000270060609	550246503	/nfs/dbraw/zinc/24/65/03/550246503.db2.gz	ULKZVZZRWXHMQG-IBGZPJMESA-N	1	1	373.497	2.062	20	30		FEEDMO
COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000270535828	550281071	/nfs/dbraw/zinc/28/10/71/550281071.db2.gz	AIZXXADZBLAEEY-DETPVDSQSA-N	1	1	356.873	2.411	20	30		FEEDMO
C#CC[C@H](NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C)c1ccccc1	ZINC000271696288	550396094	/nfs/dbraw/zinc/39/60/94/550396094.db2.gz	MQSGDPOLYYRMJO-WMZOPIPTSA-N	1	1	357.454	2.030	20	30		FEEDMO
C#CC[C@H](NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C)c1ccccc1	ZINC000271696288	550396096	/nfs/dbraw/zinc/39/60/96/550396096.db2.gz	MQSGDPOLYYRMJO-WMZOPIPTSA-N	1	1	357.454	2.030	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)CC1	ZINC000271987797	550414614	/nfs/dbraw/zinc/41/46/14/550414614.db2.gz	CYFFMUYZLAKEHS-SFHVURJKSA-N	1	1	354.498	2.255	20	30		FEEDMO
C[C@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C1=CC[N@@H+](C)CC1	ZINC000272850722	550473636	/nfs/dbraw/zinc/47/36/36/550473636.db2.gz	HHXLKNBLZQCDSE-HNNXBMFYSA-N	1	1	371.460	2.179	20	30		FEEDMO
C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1)c1ccc(F)c(F)c1	ZINC000274860243	550560276	/nfs/dbraw/zinc/56/02/76/550560276.db2.gz	HXJSGRKYXAVCOE-JDFRZJQESA-N	1	1	365.424	2.284	20	30		FEEDMO
N#CCCn1cc(C(=O)C[N@@H+](CCO)C2CCOCC2)c2ccccc21	ZINC000275490007	550572500	/nfs/dbraw/zinc/57/25/00/550572500.db2.gz	FVPAMYZUNOZLSQ-UHFFFAOYSA-N	1	1	355.438	2.211	20	30		FEEDMO
N#CCCn1cc(C(=O)C[N@H+](CCO)C2CCOCC2)c2ccccc21	ZINC000275490007	550572502	/nfs/dbraw/zinc/57/25/02/550572502.db2.gz	FVPAMYZUNOZLSQ-UHFFFAOYSA-N	1	1	355.438	2.211	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CCO)C2CCOCC2)c1C	ZINC000275525618	550572690	/nfs/dbraw/zinc/57/26/90/550572690.db2.gz	JOXNDRWWSIRIID-UHFFFAOYSA-N	1	1	359.470	2.023	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1	ZINC000277854524	550721661	/nfs/dbraw/zinc/72/16/61/550721661.db2.gz	YYTBXDJYVHMWSL-QGZVFWFLSA-N	1	1	361.461	2.471	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CC)CCC(=O)N2CCc3sccc3C2)n1	ZINC000278728187	550815518	/nfs/dbraw/zinc/81/55/18/550815518.db2.gz	ANVJGWAZFKOVMO-UHFFFAOYSA-N	1	1	356.495	2.375	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CC)CCC(=O)N2CCc3sccc3C2)n1	ZINC000278728187	550815519	/nfs/dbraw/zinc/81/55/19/550815519.db2.gz	ANVJGWAZFKOVMO-UHFFFAOYSA-N	1	1	356.495	2.375	20	30		FEEDMO
COC[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](C)O1	ZINC000279362839	550881655	/nfs/dbraw/zinc/88/16/55/550881655.db2.gz	HRWNZAOSBYAXAP-CRAIPNDOSA-N	1	1	355.442	2.094	20	30		FEEDMO
COC[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](C)O1	ZINC000279362839	550881657	/nfs/dbraw/zinc/88/16/57/550881657.db2.gz	HRWNZAOSBYAXAP-CRAIPNDOSA-N	1	1	355.442	2.094	20	30		FEEDMO
COc1ccc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)cc1C#N	ZINC000279760060	550926110	/nfs/dbraw/zinc/92/61/10/550926110.db2.gz	RHGFITNCLGGYKH-HKUYNNGSSA-N	1	1	371.460	2.345	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O	ZINC000279809898	550931641	/nfs/dbraw/zinc/93/16/41/550931641.db2.gz	FQHCWJMQJPLREM-SFHVURJKSA-N	1	1	358.486	2.114	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1	ZINC000279936163	550944763	/nfs/dbraw/zinc/94/47/63/550944763.db2.gz	WYSGGWPQZBQOLR-UHFFFAOYSA-N	1	1	364.389	2.356	20	30		FEEDMO
CC1(C)C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1	ZINC000280318411	550979949	/nfs/dbraw/zinc/97/99/49/550979949.db2.gz	GXDGAVDCUNFPTG-GHTZIAJQSA-N	1	1	369.465	2.324	20	30		FEEDMO
CC1(C)C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1	ZINC000280318411	550979951	/nfs/dbraw/zinc/97/99/51/550979951.db2.gz	GXDGAVDCUNFPTG-GHTZIAJQSA-N	1	1	369.465	2.324	20	30		FEEDMO
COC(=O)c1nc([C@@H]2CCC[N@@H+]2CCC(=O)N(C)CCC#N)sc1C	ZINC000280470766	550997628	/nfs/dbraw/zinc/99/76/28/550997628.db2.gz	OZAGAVMVZHXLJH-ZDUSSCGKSA-N	1	1	364.471	2.137	20	30		FEEDMO
COC(=O)c1nc([C@@H]2CCC[N@H+]2CCC(=O)N(C)CCC#N)sc1C	ZINC000280470766	550997629	/nfs/dbraw/zinc/99/76/29/550997629.db2.gz	OZAGAVMVZHXLJH-ZDUSSCGKSA-N	1	1	364.471	2.137	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000280518092	551003006	/nfs/dbraw/zinc/00/30/06/551003006.db2.gz	RRVPPWZLGSTJJI-ZVDOUQERSA-N	1	1	354.498	2.105	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H]1C	ZINC000280790353	551032904	/nfs/dbraw/zinc/03/29/04/551032904.db2.gz	QZBLRCUUGVCDHF-OWCLPIDISA-N	1	1	373.453	2.071	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H]1C	ZINC000280790353	551032906	/nfs/dbraw/zinc/03/29/06/551032906.db2.gz	QZBLRCUUGVCDHF-OWCLPIDISA-N	1	1	373.453	2.071	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ncccc3F)CC2)cc1	ZINC000280796716	551033433	/nfs/dbraw/zinc/03/34/33/551033433.db2.gz	LMDBALALFYMNRL-UHFFFAOYSA-N	1	1	352.413	2.369	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ncccc3F)CC2)cc1	ZINC000280796716	551033434	/nfs/dbraw/zinc/03/34/34/551033434.db2.gz	LMDBALALFYMNRL-UHFFFAOYSA-N	1	1	352.413	2.369	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1	ZINC000280889488	551042837	/nfs/dbraw/zinc/04/28/37/551042837.db2.gz	FGHVRNRASWRGAE-GOSISDBHSA-N	1	1	354.454	2.410	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000281012792	551055017	/nfs/dbraw/zinc/05/50/17/551055017.db2.gz	HKXPFKYUGIEORK-VQIMIIECSA-N	1	1	353.422	2.073	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)C1=O	ZINC000281386124	551090861	/nfs/dbraw/zinc/09/08/61/551090861.db2.gz	PLSAKQAHYROBMU-HUUCEWRRSA-N	1	1	371.250	2.340	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)C1=O	ZINC000281386124	551090863	/nfs/dbraw/zinc/09/08/63/551090863.db2.gz	PLSAKQAHYROBMU-HUUCEWRRSA-N	1	1	371.250	2.340	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)C1=O	ZINC000281442961	551098146	/nfs/dbraw/zinc/09/81/46/551098146.db2.gz	UBSRSRCHRCWFNH-MOPGFXCFSA-N	1	1	355.482	2.289	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)ccc1C(F)(F)F	ZINC000281782517	551142953	/nfs/dbraw/zinc/14/29/53/551142953.db2.gz	NAUFQBFJDJHDBD-ZDUSSCGKSA-N	1	1	371.384	2.212	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000497383662	561499915	/nfs/dbraw/zinc/49/99/15/561499915.db2.gz	DZYOSGQJHYBNFJ-TVKQPGBESA-N	1	1	364.534	2.446	20	30		FEEDMO
C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[NH+](CCOC)CC1	ZINC000282340368	551213966	/nfs/dbraw/zinc/21/39/66/551213966.db2.gz	RPDRDDABBWQCHZ-UHFFFAOYSA-N	1	1	366.469	2.381	20	30		FEEDMO
CCOC(=O)c1cnn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C#N	ZINC000283791622	551427969	/nfs/dbraw/zinc/42/79/69/551427969.db2.gz	FVYSNWKZUMSERY-QGZVFWFLSA-N	1	1	368.437	2.223	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NCCCCC#N	ZINC000284379501	551536643	/nfs/dbraw/zinc/53/66/43/551536643.db2.gz	GZIYQLXSFWVIPK-KRWDZBQOSA-N	1	1	370.497	2.487	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C[C@@H]1C	ZINC000498584263	561529468	/nfs/dbraw/zinc/52/94/68/561529468.db2.gz	QITQNYSJYKTOQG-KBPBESRZSA-N	1	1	368.485	2.092	20	30		FEEDMO
C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCc1ccc(C#N)cc1	ZINC000285169693	551714566	/nfs/dbraw/zinc/71/45/66/551714566.db2.gz	BBUZNQLTZXVIJJ-UHFFFAOYSA-N	1	1	352.394	2.257	20	30		FEEDMO
C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCc1ccc(C#N)cc1	ZINC000285169693	551714567	/nfs/dbraw/zinc/71/45/67/551714567.db2.gz	BBUZNQLTZXVIJJ-UHFFFAOYSA-N	1	1	352.394	2.257	20	30		FEEDMO
CS(=O)(=O)NCC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000285382901	551747163	/nfs/dbraw/zinc/74/71/63/551747163.db2.gz	GUOQFAPKCFTZLE-UHFFFAOYSA-N	1	1	374.428	2.318	20	30		FEEDMO
COC[C@@](C)(C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000285589348	551779397	/nfs/dbraw/zinc/77/93/97/551779397.db2.gz	HSSKIPZLSVVWPJ-NVXWUHKLSA-N	1	1	351.397	2.189	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C	ZINC000498941392	561538749	/nfs/dbraw/zinc/53/87/49/561538749.db2.gz	YZRKWIBSKGXARC-CVEARBPZSA-N	1	1	366.469	2.097	20	30		FEEDMO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[C@H]1O	ZINC000286379612	551881096	/nfs/dbraw/zinc/88/10/96/551881096.db2.gz	GOEJLLNCUVRXGQ-HZPDHXFCSA-N	1	1	354.372	2.018	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000286816363	551929081	/nfs/dbraw/zinc/92/90/81/551929081.db2.gz	ANJUPJOVUNOUAC-YQQQUEKLSA-N	1	1	355.482	2.333	20	30		FEEDMO
CCn1cc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000287058766	551957830	/nfs/dbraw/zinc/95/78/30/551957830.db2.gz	UTYLTNKVYNLROB-UHFFFAOYSA-N	1	1	366.469	2.192	20	30		FEEDMO
C[C@H](c1cccnc1)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1	ZINC000287292080	551985890	/nfs/dbraw/zinc/98/58/90/551985890.db2.gz	MGYPRNULQJADRX-CYBMUJFWSA-N	1	1	352.398	2.327	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000287414736	552001391	/nfs/dbraw/zinc/00/13/91/552001391.db2.gz	ORRDGLHGCFEWRR-GOSISDBHSA-N	1	1	363.465	2.403	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000288079882	552087011	/nfs/dbraw/zinc/08/70/11/552087011.db2.gz	HGNRYXIYPQZFTQ-MJGOQNOKSA-N	1	1	357.498	2.438	20	30		FEEDMO
CC[C@H](CNC(=O)Cc1noc(C)c1C#N)[N@H+]1CCc2ccccc2C1	ZINC000499542696	561553262	/nfs/dbraw/zinc/55/32/62/561553262.db2.gz	VPBMHLLKAMXBNB-QGZVFWFLSA-N	1	1	352.438	2.350	20	30		FEEDMO
Cc1onc(CC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N	ZINC000500075733	561565470	/nfs/dbraw/zinc/56/54/70/561565470.db2.gz	NVPBYRBLKPMPLI-YOEHRIQHSA-N	1	1	352.438	2.424	20	30		FEEDMO
CC[C@](C)(C#N)c1nc(-c2ccccc2C[N@@H+]2CCC[C@H]2C(N)=O)no1	ZINC000289097338	552265332	/nfs/dbraw/zinc/26/53/32/552265332.db2.gz	PKEXWMSJLSNKIA-HNAYVOBHSA-N	1	1	353.426	2.378	20	30		FEEDMO
CC[C@](C)(C#N)c1nc(-c2ccccc2C[N@H+]2CCC[C@H]2C(N)=O)no1	ZINC000289097338	552265333	/nfs/dbraw/zinc/26/53/33/552265333.db2.gz	PKEXWMSJLSNKIA-HNAYVOBHSA-N	1	1	353.426	2.378	20	30		FEEDMO
C=CCCCCNC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289244379	552288087	/nfs/dbraw/zinc/28/80/87/552288087.db2.gz	VCXSMLKVYRUXTF-IEBWSBKVSA-N	1	1	357.498	2.486	20	30		FEEDMO
C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289462184	552325364	/nfs/dbraw/zinc/32/53/64/552325364.db2.gz	MDDMAVSRTSLTHZ-QAPCUYQASA-N	1	1	370.478	2.142	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1OC	ZINC000289570268	552342852	/nfs/dbraw/zinc/34/28/52/552342852.db2.gz	JMKNINBYVCHRIE-FOIQADDNSA-N	1	1	373.453	2.213	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc(OC)c1O	ZINC000289838808	552386757	/nfs/dbraw/zinc/38/67/57/552386757.db2.gz	UNCDDDIVSHMYFP-QRWLVFNGSA-N	1	1	373.453	2.082	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCCN(c3ccccc3C#N)CC1)C2	ZINC000289931724	552401187	/nfs/dbraw/zinc/40/11/87/552401187.db2.gz	PBGFKDHQWYWLSG-QGZVFWFLSA-N	1	1	363.465	2.365	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1F	ZINC000290255179	552449079	/nfs/dbraw/zinc/44/90/79/552449079.db2.gz	DIVIXRLHUSTKKC-INIZCTEOSA-N	1	1	370.384	2.182	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F	ZINC000290464540	552482948	/nfs/dbraw/zinc/48/29/48/552482948.db2.gz	MRIIRKLZSSYZFT-QGZVFWFLSA-N	1	1	366.396	2.027	20	30		FEEDMO
C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1	ZINC000290895124	552557369	/nfs/dbraw/zinc/55/73/69/552557369.db2.gz	VGDIMYYGGTXZHV-QZTJIDSGSA-N	1	1	366.396	2.197	20	30		FEEDMO
CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[N@@H+](CC)CC1	ZINC000291057273	552581603	/nfs/dbraw/zinc/58/16/03/552581603.db2.gz	QZBYFSDWLHSOEV-UHFFFAOYSA-N	1	1	354.458	2.281	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1	ZINC000291706610	552652943	/nfs/dbraw/zinc/65/29/43/552652943.db2.gz	IIPGLQONSSNXHY-LEWJYISDSA-N	1	1	355.482	2.112	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1	ZINC000291706610	552652944	/nfs/dbraw/zinc/65/29/44/552652944.db2.gz	IIPGLQONSSNXHY-LEWJYISDSA-N	1	1	355.482	2.112	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1	ZINC000291706613	552653102	/nfs/dbraw/zinc/65/31/02/552653102.db2.gz	IIPGLQONSSNXHY-NHCUHLMSSA-N	1	1	355.482	2.112	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1	ZINC000291706613	552653105	/nfs/dbraw/zinc/65/31/05/552653105.db2.gz	IIPGLQONSSNXHY-NHCUHLMSSA-N	1	1	355.482	2.112	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](n3cccn3)C2)c(OC)c1	ZINC000292014051	552684737	/nfs/dbraw/zinc/68/47/37/552684737.db2.gz	XXUXJAWFWXBIMH-MSOLQXFVSA-N	1	1	357.454	2.307	20	30		FEEDMO
CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292142547	552698065	/nfs/dbraw/zinc/69/80/65/552698065.db2.gz	JPMNAUJXUCBTSZ-SFHVURJKSA-N	1	1	350.422	2.065	20	30		FEEDMO
CN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292142547	552698066	/nfs/dbraw/zinc/69/80/66/552698066.db2.gz	JPMNAUJXUCBTSZ-SFHVURJKSA-N	1	1	350.422	2.065	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(OC)c1	ZINC000292147857	552698475	/nfs/dbraw/zinc/69/84/75/552698475.db2.gz	NEANFMYYSNLOKG-GHTZIAJQSA-N	1	1	360.498	2.191	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(OC)c1	ZINC000292147857	552698477	/nfs/dbraw/zinc/69/84/77/552698477.db2.gz	NEANFMYYSNLOKG-GHTZIAJQSA-N	1	1	360.498	2.191	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)C1	ZINC000292599704	552741693	/nfs/dbraw/zinc/74/16/93/552741693.db2.gz	RPJGVGPICDPZAT-NRFANRHFSA-N	1	1	368.481	2.268	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1	ZINC000293925137	552868542	/nfs/dbraw/zinc/86/85/42/552868542.db2.gz	HIVJKAQABVRMLH-UHFFFAOYSA-N	1	1	366.343	2.440	20	30		FEEDMO
Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1	ZINC000294522077	552912680	/nfs/dbraw/zinc/91/26/80/552912680.db2.gz	ZIBPSRUOIYGXBV-UHFFFAOYSA-N	1	1	370.434	2.332	20	30		FEEDMO
C[C@@H](CNC(=O)c1ccc(Br)cc1C#N)C[NH+]1CCOCC1	ZINC000294806507	552935642	/nfs/dbraw/zinc/93/56/42/552935642.db2.gz	CGOABIDRLINEDW-LBPRGKRZSA-N	1	1	366.259	2.019	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1	ZINC000295085565	552957588	/nfs/dbraw/zinc/95/75/88/552957588.db2.gz	BLIIJTAIKSLZSH-GOEBONIOSA-N	1	1	356.470	2.499	20	30		FEEDMO
C[N@@H+]1CC[C@H](CNS(=O)(=O)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000295132497	552962087	/nfs/dbraw/zinc/96/20/87/552962087.db2.gz	JZKUZMITHVQTCY-DOMZBBRYSA-N	1	1	359.854	2.305	20	30		FEEDMO
C[N@H+]1CC[C@H](CNS(=O)(=O)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000295132497	552962089	/nfs/dbraw/zinc/96/20/89/552962089.db2.gz	JZKUZMITHVQTCY-DOMZBBRYSA-N	1	1	359.854	2.305	20	30		FEEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000295250320	552975717	/nfs/dbraw/zinc/97/57/17/552975717.db2.gz	QKGCLTWWBREUSM-KRWDZBQOSA-N	1	1	353.463	2.333	20	30		FEEDMO
CCN1CC[NH+](CCCNc2ncc(Br)cc2C#N)CC1	ZINC000296278327	553134268	/nfs/dbraw/zinc/13/42/68/553134268.db2.gz	HBOOXQBVAHRKDQ-UHFFFAOYSA-N	1	1	352.280	2.155	20	30		FEEDMO
CO[C@H](Cc1ccccc1)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000296723376	553203106	/nfs/dbraw/zinc/20/31/06/553203106.db2.gz	HRTTTXJJKQZFDU-SJLPKXTDSA-N	1	1	351.454	2.116	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3sc(C(C)(C)C)cc3C#N)C2)C1	ZINC000296845868	553219300	/nfs/dbraw/zinc/21/93/00/553219300.db2.gz	IYGLIIZXQGZJGZ-IBGZPJMESA-N	1	1	374.510	2.410	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1	ZINC000297509520	553301884	/nfs/dbraw/zinc/30/18/84/553301884.db2.gz	OYYMDWYJIDIQOA-WOJBJXKFSA-N	1	1	365.481	2.366	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)COCC(F)(F)F)CC2)cc1	ZINC000298485555	553430599	/nfs/dbraw/zinc/43/05/99/553430599.db2.gz	FTPXKXADKCHHDN-UHFFFAOYSA-N	1	1	355.360	2.171	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)COCC(F)(F)F)CC2)cc1	ZINC000298485555	553430600	/nfs/dbraw/zinc/43/06/00/553430600.db2.gz	FTPXKXADKCHHDN-UHFFFAOYSA-N	1	1	355.360	2.171	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1	ZINC000298614279	553449309	/nfs/dbraw/zinc/44/93/09/553449309.db2.gz	RQWKNRXVSLBMKY-GOSISDBHSA-N	1	1	373.497	2.010	20	30		FEEDMO
N#Cc1ccc(NC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000299553514	553580195	/nfs/dbraw/zinc/58/01/95/553580195.db2.gz	LQBDIDAPTNAOQD-UHFFFAOYSA-N	1	1	364.453	2.287	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)OC)CC1	ZINC000299612855	553589261	/nfs/dbraw/zinc/58/92/61/553589261.db2.gz	CLCCBTIIUBPFSC-OAHLLOKOSA-N	1	1	360.479	2.121	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1	ZINC000504413421	561657781	/nfs/dbraw/zinc/65/77/81/561657781.db2.gz	JYIJCFAAIMSVHP-QGZVFWFLSA-N	1	1	373.497	2.361	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc(C#N)cc1[N+](=O)[O-]	ZINC000301306592	553640577	/nfs/dbraw/zinc/64/05/77/553640577.db2.gz	YYRKAFUCDYXXKZ-OAHLLOKOSA-N	1	1	366.425	2.484	20	30		FEEDMO
N#Cc1cc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c2ccccc2n1	ZINC000301352060	553644420	/nfs/dbraw/zinc/64/44/20/553644420.db2.gz	NDRIWSXUCPSIOD-UHFFFAOYSA-N	1	1	363.465	2.241	20	30		FEEDMO
CCN1CC[NH+]([C@@H](C)CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000301520637	553657615	/nfs/dbraw/zinc/65/76/15/553657615.db2.gz	LDPJNWLVMBLSKZ-AWEZNQCLSA-N	1	1	368.441	2.453	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1	ZINC000328473158	553793940	/nfs/dbraw/zinc/79/39/40/553793940.db2.gz	DSWYAOJZHBNVJD-OTWHNJEPSA-N	1	1	362.495	2.347	20	30		FEEDMO
O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328734022	553813972	/nfs/dbraw/zinc/81/39/72/553813972.db2.gz	JWJIAXVCKUMICK-WRPLRSBHSA-N	1	1	371.481	2.196	20	30		FEEDMO
Cc1csc([C@@H]2CN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)CCO2)n1	ZINC000328743704	553815523	/nfs/dbraw/zinc/81/55/23/553815523.db2.gz	OMOCIRBJXWMHKY-GLQYFDAESA-N	1	1	350.488	2.222	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCC(=O)NC12CCC2	ZINC000328760765	553818238	/nfs/dbraw/zinc/81/82/38/553818238.db2.gz	XSLONVNNDHBRAF-HOCLYGCPSA-N	1	1	364.490	2.127	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc3c(c2)OCC(=O)N3)C1	ZINC000328837309	553830462	/nfs/dbraw/zinc/83/04/62/553830462.db2.gz	NFRJOCWBAGHLJZ-AWEZNQCLSA-N	1	1	362.430	2.350	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000328861597	553834550	/nfs/dbraw/zinc/83/45/50/553834550.db2.gz	VLWQUURZMCYJOQ-ZFWWWQNUSA-N	1	1	361.442	2.235	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CCCSC2)CCC[N@H+]1C	ZINC000328968397	553855632	/nfs/dbraw/zinc/85/56/32/553855632.db2.gz	AJZYDJYMUHZYLM-SQWLQELKSA-N	1	1	351.520	2.202	20	30		FEEDMO
CCN1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H]1C	ZINC000329020548	553866036	/nfs/dbraw/zinc/86/60/36/553866036.db2.gz	HSGSNNPLYUDULY-DKKFBQAASA-N	1	1	366.550	2.083	20	30		FEEDMO
CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1	ZINC000329038011	553869086	/nfs/dbraw/zinc/86/90/86/553869086.db2.gz	ZKTXULOIRXFTAG-PMPSAXMXSA-N	1	1	352.479	2.322	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)C1	ZINC000329045367	553870898	/nfs/dbraw/zinc/87/08/98/553870898.db2.gz	JIMQMQNERFBYOX-RMJJICAUSA-N	1	1	367.534	2.130	20	30		FEEDMO
C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O	ZINC000329052428	553872132	/nfs/dbraw/zinc/87/21/32/553872132.db2.gz	ABTHMSURNQFTOP-RYWZPZFXSA-N	1	1	374.485	2.131	20	30		FEEDMO
C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O	ZINC000329052428	553872135	/nfs/dbraw/zinc/87/21/35/553872135.db2.gz	ABTHMSURNQFTOP-RYWZPZFXSA-N	1	1	374.485	2.131	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1	ZINC000329096805	553879606	/nfs/dbraw/zinc/87/96/06/553879606.db2.gz	YGMFFELFNSQLAM-HUMVNOLHSA-N	1	1	351.491	2.042	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O	ZINC000329098802	553879898	/nfs/dbraw/zinc/87/98/98/553879898.db2.gz	YWUYPQCOKVDUDV-AJYBTWMASA-N	1	1	367.534	2.273	20	30		FEEDMO
CC1(C)CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1	ZINC000329191966	553899261	/nfs/dbraw/zinc/89/92/61/553899261.db2.gz	RTABCJPLPHZRAE-HOTGVXAUSA-N	1	1	351.491	2.235	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CSC2(C)C)CCC[N@H+]1C	ZINC000329211805	553903162	/nfs/dbraw/zinc/90/31/62/553903162.db2.gz	ZLACVVQOHUNYAA-NWANDNLSSA-N	1	1	351.520	2.201	20	30		FEEDMO
CC(C)[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1nncn1C	ZINC000329219448	553905247	/nfs/dbraw/zinc/90/52/47/553905247.db2.gz	AWICZUGCBCUZJX-UAGQMJEPSA-N	1	1	360.506	2.375	20	30		FEEDMO
O=C(C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)Nc1ccc2c(c1)OCO2	ZINC000329236857	553908193	/nfs/dbraw/zinc/90/81/93/553908193.db2.gz	OQBCDVWDZFFBTF-MRXNPFEDSA-N	1	1	361.442	2.190	20	30		FEEDMO
O=C(C[N@H+]1CCCC[C@@H]1CN1CCOCC1)Nc1ccc2c(c1)OCO2	ZINC000329236857	553908194	/nfs/dbraw/zinc/90/81/94/553908194.db2.gz	OQBCDVWDZFFBTF-MRXNPFEDSA-N	1	1	361.442	2.190	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(NC(=O)c2ccc([C@@H]3CCCOC3)cc2)CC1	ZINC000329400530	553939129	/nfs/dbraw/zinc/93/91/29/553939129.db2.gz	XUUZBINBTGMAMS-QGZVFWFLSA-N	1	1	359.470	2.361	20	30		FEEDMO
O=C(NCC1CCN(C(=O)c2ccccc2)CC1)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000329412772	553941911	/nfs/dbraw/zinc/94/19/11/553941911.db2.gz	FEVZOHLWUZZCLX-SFHVURJKSA-N	1	1	370.497	2.279	20	30		FEEDMO
CC(C)CNC(=O)N1CCC[C@H](C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)C1	ZINC000329453555	553949798	/nfs/dbraw/zinc/94/97/98/553949798.db2.gz	DGHQQBBHWPYURT-BZSNNMDCSA-N	1	1	364.534	2.354	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)C1	ZINC000329538727	553963992	/nfs/dbraw/zinc/96/39/92/553963992.db2.gz	CDLCYNDYEFGGAH-LHHMISFZSA-N	1	1	366.506	2.231	20	30		FEEDMO
CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCSCC2)C1	ZINC000329591226	553973132	/nfs/dbraw/zinc/97/31/32/553973132.db2.gz	ZVGNOCXBFYTILQ-TZMCWYRMSA-N	1	1	365.503	2.161	20	30		FEEDMO
O=C(C[N@@H+]1CC[C@H](CCO)C1)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000329596406	553973672	/nfs/dbraw/zinc/97/36/72/553973672.db2.gz	IONBOJNPENJAMA-MRXNPFEDSA-N	1	1	359.470	2.218	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ncn(C(C)(C)C)n1	ZINC000329624614	553978730	/nfs/dbraw/zinc/97/87/30/553978730.db2.gz	OGRBUZVMNBWEAG-GDBMZVCRSA-N	1	1	356.474	2.880	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O)C[NH+]1CCOCC1	ZINC000329669172	553986163	/nfs/dbraw/zinc/98/61/63/553986163.db2.gz	SJQCIPKWZWFLSJ-BCYZHJNNSA-N	1	1	367.534	2.130	20	30		FEEDMO
CC(C)(C)[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1	ZINC000329679598	553987486	/nfs/dbraw/zinc/98/74/86/553987486.db2.gz	XLMYHKDWPXGANA-KGLIPLIRSA-N	1	1	373.519	2.192	20	30		FEEDMO
CC(C)(C)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1	ZINC000329679598	553987489	/nfs/dbraw/zinc/98/74/89/553987489.db2.gz	XLMYHKDWPXGANA-KGLIPLIRSA-N	1	1	373.519	2.192	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCC3(CC2)NC(=O)NC3=O)C[C@H]1C	ZINC000329693978	553990842	/nfs/dbraw/zinc/99/08/42/553990842.db2.gz	CNFMOGDMPXKBQT-VUULHSHRSA-N	1	1	365.478	2.271	20	30		FEEDMO
CC(C)C(=O)N1CCN(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1	ZINC000329700969	553991873	/nfs/dbraw/zinc/99/18/73/553991873.db2.gz	HBGFXFBEZHPIDQ-SJORKVTESA-N	1	1	364.534	2.354	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCOC[C@H]2c2ccccc2)C1	ZINC000329769135	554002715	/nfs/dbraw/zinc/00/27/15/554002715.db2.gz	HKUSBEPPPVKKOR-MOPGFXCFSA-N	1	1	361.486	2.331	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3C[C@H]4CC[C@@H](C3)O4)c2)CCO1	ZINC000329805324	554008960	/nfs/dbraw/zinc/00/89/60/554008960.db2.gz	KPYWRELIKJWNOA-LZQZEXGQSA-N	1	1	359.470	2.185	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3C[C@H]4CC[C@@H](C3)O4)c2)CCO1	ZINC000329805324	554008962	/nfs/dbraw/zinc/00/89/62/554008962.db2.gz	KPYWRELIKJWNOA-LZQZEXGQSA-N	1	1	359.470	2.185	20	30		FEEDMO
CCc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1	ZINC000329824011	554012865	/nfs/dbraw/zinc/01/28/65/554012865.db2.gz	ZTVHAOZYVQKTFE-VQIMIIECSA-N	1	1	372.513	2.404	20	30		FEEDMO
CN1C[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCC1=O	ZINC000329823149	554012872	/nfs/dbraw/zinc/01/28/72/554012872.db2.gz	ZJCZFDCECIUOLU-VBQJREDUSA-N	1	1	364.515	2.255	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H](NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)CC2	ZINC000329858033	554020101	/nfs/dbraw/zinc/02/01/01/554020101.db2.gz	VTYKXDRYYSRJTQ-GDBMZVCRSA-N	1	1	362.522	2.292	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(NC(=O)c2nnn(CC3CCCC3)c2C)CC1	ZINC000329874900	554022993	/nfs/dbraw/zinc/02/29/93/554022993.db2.gz	GBPYSCXZQZWMRM-UHFFFAOYSA-N	1	1	362.478	2.132	20	30		FEEDMO
CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000329884983	554024808	/nfs/dbraw/zinc/02/48/08/554024808.db2.gz	TXOXLSVIZWDEJF-RTBURBONSA-N	1	1	364.534	2.150	20	30		FEEDMO
C[C@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1)C1=CC[N@@H+](C)CC1	ZINC000329941443	554036321	/nfs/dbraw/zinc/03/63/21/554036321.db2.gz	GQKLYXZSDVCKBM-ZOCIIQOWSA-N	1	1	357.454	2.192	20	30		FEEDMO
C[C@@H](NC(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000329947563	554037405	/nfs/dbraw/zinc/03/74/05/554037405.db2.gz	HBTNFDNVMFLGCQ-WOCWXWTJSA-N	1	1	365.518	2.433	20	30		FEEDMO
C[C@H]1OCC[C@@]12CN(C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)CCO2	ZINC000329966041	554040265	/nfs/dbraw/zinc/04/02/65/554040265.db2.gz	VKKGSOAKLYRYAF-GPMSIDNRSA-N	1	1	353.507	2.291	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C3CCC(=O)CC3)c2)CC1	ZINC000329971157	554041515	/nfs/dbraw/zinc/04/15/15/554041515.db2.gz	YFZGMSRICHIOJL-UHFFFAOYSA-N	1	1	357.454	2.350	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1	ZINC000329995799	554046152	/nfs/dbraw/zinc/04/61/52/554046152.db2.gz	NTKOVYHGAQDSTQ-MRXNPFEDSA-N	1	1	365.499	2.258	20	30		FEEDMO
O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000329994350	554046339	/nfs/dbraw/zinc/04/63/39/554046339.db2.gz	ZDSQELYLBMIOAH-QKNQBKEWSA-N	1	1	373.497	2.350	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)CC[N@H+]1C	ZINC000330093469	554063487	/nfs/dbraw/zinc/06/34/87/554063487.db2.gz	RPAGZLKDKZXJRO-ZBFHGGJFSA-N	1	1	360.506	2.191	20	30		FEEDMO
Cc1ccc2ncc(C#N)c(NC[C@]3([NH+]4CCOCC4)CCSC3)c2c1	ZINC000330125889	554069715	/nfs/dbraw/zinc/06/97/15/554069715.db2.gz	BVPTWVAJNDJXJB-HXUWFJFHSA-N	1	1	368.506	2.457	20	30		FEEDMO
C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(c2nnc3n2CCCC3)CC1	ZINC000330144610	554073367	/nfs/dbraw/zinc/07/33/67/554073367.db2.gz	KUBBLCFNOCOKIQ-LBPRGKRZSA-N	1	1	360.462	2.215	20	30		FEEDMO
CO[C@H]1C[C@H](C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)N(C(C)=O)C1	ZINC000330155072	554075001	/nfs/dbraw/zinc/07/50/01/554075001.db2.gz	YBSMYWJLTHSONI-LFVTVUPYSA-N	1	1	351.491	2.232	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC(OC[C@H]2CCCCO2)CC1	ZINC000330162081	554076182	/nfs/dbraw/zinc/07/61/82/554076182.db2.gz	ACTAKZMALCVQFU-NVXWUHKLSA-N	1	1	362.474	2.162	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1	ZINC000330162496	554076416	/nfs/dbraw/zinc/07/64/16/554076416.db2.gz	UMRWCAMAOVPNHH-MRXNPFEDSA-N	1	1	362.865	2.097	20	30		FEEDMO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cn1	ZINC000330179027	554079818	/nfs/dbraw/zinc/07/98/18/554079818.db2.gz	MCTIWMWMEOHURC-SCNOPHJPSA-N	1	1	374.489	2.146	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)N3CC4(C3)CCOCC4)CC2)nc(C)[nH+]1	ZINC000330194496	554082623	/nfs/dbraw/zinc/08/26/23/554082623.db2.gz	OTUGPWYMMGZYON-UHFFFAOYSA-N	1	1	359.474	2.089	20	30		FEEDMO
CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1(C)C	ZINC000330215420	554086948	/nfs/dbraw/zinc/08/69/48/554086948.db2.gz	HABVRYOSJXCWKN-XOSAIJSUSA-N	1	1	353.507	2.145	20	30		FEEDMO
Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1N1CCNC1=O	ZINC000330238366	554090969	/nfs/dbraw/zinc/09/09/69/554090969.db2.gz	ZWCZLAVQQVLCBR-CVEARBPZSA-N	1	1	357.458	2.443	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1Cc2ccccc2O1	ZINC000330239576	554091094	/nfs/dbraw/zinc/09/10/94/554091094.db2.gz	DVSHCYKCIREULM-CRAIPNDOSA-N	1	1	359.470	2.089	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H](Oc3ncccc3F)C2)C1	ZINC000330261555	554095217	/nfs/dbraw/zinc/09/52/17/554095217.db2.gz	PELKIBCEVJBKAY-GJZGRUSLSA-N	1	1	350.438	2.462	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CCOC2(CCOCC2)C1	ZINC000330268590	554096289	/nfs/dbraw/zinc/09/62/89/554096289.db2.gz	RHODXKVFXJZDRO-SJORKVTESA-N	1	1	362.474	2.298	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CCOC2(CCOCC2)C1	ZINC000330268590	554096294	/nfs/dbraw/zinc/09/62/94/554096294.db2.gz	RHODXKVFXJZDRO-SJORKVTESA-N	1	1	362.474	2.298	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCOC2(CCOCC2)C1	ZINC000330268385	554096312	/nfs/dbraw/zinc/09/63/12/554096312.db2.gz	RDOZCPDMBKMFNL-IXDOHACOSA-N	1	1	353.507	2.339	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCc1nccs1	ZINC000330336991	554107368	/nfs/dbraw/zinc/10/73/68/554107368.db2.gz	SVQADCLMHCZECU-XJKSGUPXSA-N	1	1	362.503	2.306	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C1	ZINC000330452538	554123513	/nfs/dbraw/zinc/12/35/13/554123513.db2.gz	KUAFRMQDUJIIIK-LLVKDONJSA-N	1	1	359.879	2.024	20	30		FEEDMO
C[C@H](COCC(F)(F)F)NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1	ZINC000330481272	554126841	/nfs/dbraw/zinc/12/68/41/554126841.db2.gz	PEBAPBPPBBEYRR-CHWSQXEVSA-N	1	1	367.412	2.053	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000331135308	554219883	/nfs/dbraw/zinc/21/98/83/554219883.db2.gz	KICBKLWYNRURCB-MRXNPFEDSA-N	1	1	350.488	2.195	20	30		FEEDMO
CCOC(=O)[C@]1(C(C)C)CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1	ZINC000331282537	554241245	/nfs/dbraw/zinc/24/12/45/554241245.db2.gz	DLEFSDCYYHIYCD-DNVCBOLYSA-N	1	1	351.491	2.462	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)c2ncc(C#N)cc2Cl)CCC[N@H+]1C	ZINC000331712064	554313105	/nfs/dbraw/zinc/31/31/05/554313105.db2.gz	DIXQUXQHENJWRL-SUMWQHHRSA-N	1	1	372.860	2.153	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1C#N	ZINC000509465757	561800805	/nfs/dbraw/zinc/80/08/05/561800805.db2.gz	TXMQIKOETAKTOV-UGSOOPFHSA-N	1	1	352.438	2.217	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)c1C#N	ZINC000509465757	561800806	/nfs/dbraw/zinc/80/08/06/561800806.db2.gz	TXMQIKOETAKTOV-UGSOOPFHSA-N	1	1	352.438	2.217	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000509737817	561812348	/nfs/dbraw/zinc/81/23/48/561812348.db2.gz	LZWBIDVCAWOTGI-MSOLQXFVSA-N	1	1	354.454	2.044	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)[nH]1	ZINC000610560376	554528584	/nfs/dbraw/zinc/52/85/84/554528584.db2.gz	CJHLPOOQDGPZTE-UHFFFAOYSA-N	1	1	362.503	2.165	20	30		FEEDMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)N=c2[nH]n(C)cc2C#N)CC1	ZINC000610562925	554529361	/nfs/dbraw/zinc/52/93/61/554529361.db2.gz	KZVYFYMHLADGLA-UHFFFAOYSA-N	1	1	352.442	2.340	20	30		FEEDMO
Cc1ccccc1C[N@@H+]1CCCN(C(=O)N=c2[nH]n(C)cc2C#N)CC1	ZINC000610562925	554529363	/nfs/dbraw/zinc/52/93/63/554529363.db2.gz	KZVYFYMHLADGLA-UHFFFAOYSA-N	1	1	352.442	2.340	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1	ZINC000510596636	561840050	/nfs/dbraw/zinc/84/00/50/561840050.db2.gz	CNCUONAJUQPMJY-IEBWSBKVSA-N	1	1	357.498	2.281	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1	ZINC000510596636	561840051	/nfs/dbraw/zinc/84/00/51/561840051.db2.gz	CNCUONAJUQPMJY-IEBWSBKVSA-N	1	1	357.498	2.281	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1	ZINC000510596637	561840110	/nfs/dbraw/zinc/84/01/10/561840110.db2.gz	CNCUONAJUQPMJY-MJGOQNOKSA-N	1	1	357.498	2.281	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1	ZINC000510596637	561840111	/nfs/dbraw/zinc/84/01/11/561840111.db2.gz	CNCUONAJUQPMJY-MJGOQNOKSA-N	1	1	357.498	2.281	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1=O	ZINC000348608153	554691527	/nfs/dbraw/zinc/69/15/27/554691527.db2.gz	ZWEUMDPFOUUBEM-ZWKOTPCHSA-N	1	1	357.454	2.020	20	30		FEEDMO
COc1cc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)cc(OC)c1O	ZINC000362613663	554975547	/nfs/dbraw/zinc/97/55/47/554975547.db2.gz	CVEMUZYRDWIXCO-UHFFFAOYSA-N	1	1	368.437	2.388	20	30		FEEDMO
C#CC[C@H](NC(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1)c1ccccc1	ZINC000362729346	554984851	/nfs/dbraw/zinc/98/48/51/554984851.db2.gz	XXMJWLMYTOGUIG-FPOVZHCZSA-N	1	1	368.525	2.420	20	30		FEEDMO
C=CCN(CC(=O)NC1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363184769	555048308	/nfs/dbraw/zinc/04/83/08/555048308.db2.gz	GRPAHOGXPCVEQH-HXUWFJFHSA-N	1	1	357.498	2.044	20	30		FEEDMO
Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000363299425	555073674	/nfs/dbraw/zinc/07/36/74/555073674.db2.gz	PQADPEIGSZAJPM-OXQOHEQNSA-N	1	1	371.485	2.095	20	30		FEEDMO
Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000363299425	555073676	/nfs/dbraw/zinc/07/36/76/555073676.db2.gz	PQADPEIGSZAJPM-OXQOHEQNSA-N	1	1	371.485	2.095	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000363527860	555129214	/nfs/dbraw/zinc/12/92/14/555129214.db2.gz	YBSBUJYXCASVSA-OAHLLOKOSA-N	1	1	360.483	2.425	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1OC	ZINC000363546972	555133959	/nfs/dbraw/zinc/13/39/59/555133959.db2.gz	SXSGVMYXTJDUSQ-FZMUQLTDSA-N	1	1	372.465	2.206	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000363943640	555219132	/nfs/dbraw/zinc/21/91/32/555219132.db2.gz	AFKQZKZRJBYRJV-INIZCTEOSA-N	1	1	367.457	2.381	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)N(C)C2CCN(Cc3ccncc3)CC2)CC1	ZINC000364193004	555267010	/nfs/dbraw/zinc/26/70/10/555267010.db2.gz	VEHYKVZKPIEIKM-UHFFFAOYSA-N	1	1	371.529	2.338	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000364597759	555349092	/nfs/dbraw/zinc/34/90/92/555349092.db2.gz	GHZNRSJYCQQUCR-MRXNPFEDSA-N	1	1	367.497	2.236	20	30		FEEDMO
C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F	ZINC000512474332	561906820	/nfs/dbraw/zinc/90/68/20/561906820.db2.gz	JHPNWAIRJJQZOC-CZUORRHYSA-N	1	1	351.397	2.455	20	30		FEEDMO
C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F	ZINC000512474332	561906821	/nfs/dbraw/zinc/90/68/21/561906821.db2.gz	JHPNWAIRJJQZOC-CZUORRHYSA-N	1	1	351.397	2.455	20	30		FEEDMO
Cc1c(C#N)cccc1C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000512665012	561911726	/nfs/dbraw/zinc/91/17/26/561911726.db2.gz	IVUBPOZSZWQTOO-CALCHBBNSA-N	1	1	354.498	2.497	20	30		FEEDMO
C[C@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)cn1C	ZINC000364857444	555416838	/nfs/dbraw/zinc/41/68/38/555416838.db2.gz	WOROMBZKUJBFPF-OXQOHEQNSA-N	1	1	366.465	2.258	20	30		FEEDMO
C[C@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)cn1C	ZINC000364857444	555416839	/nfs/dbraw/zinc/41/68/39/555416839.db2.gz	WOROMBZKUJBFPF-OXQOHEQNSA-N	1	1	366.465	2.258	20	30		FEEDMO
C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000364968051	555452754	/nfs/dbraw/zinc/45/27/54/555452754.db2.gz	XCYHQAWEBNOGOT-CYBMUJFWSA-N	1	1	356.451	2.191	20	30		FEEDMO
CN1CCC2(CC[NH+](CC(=O)Nc3cc(Cl)ccc3C#N)CC2)C1=O	ZINC000365337315	555546927	/nfs/dbraw/zinc/54/69/27/555546927.db2.gz	OXZDZQQUCYTLHA-UHFFFAOYSA-N	1	1	360.845	2.094	20	30		FEEDMO
CC(C)(CCC#N)CNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000513114243	561925922	/nfs/dbraw/zinc/92/59/22/561925922.db2.gz	YZWNULQRQNEQBE-HXUWFJFHSA-N	1	1	358.486	2.253	20	30		FEEDMO
C=CCNC(=O)C[NH2+][C@@](C)(CC(=O)OC)c1ccc(Br)cc1	ZINC000513127538	561926212	/nfs/dbraw/zinc/92/62/12/561926212.db2.gz	JXOIXSNEDMYHBD-INIZCTEOSA-N	1	1	369.259	2.119	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1	ZINC000365542952	555604592	/nfs/dbraw/zinc/60/45/92/555604592.db2.gz	AODYDDNHIOUKKH-DFQSSKMNSA-N	1	1	369.513	2.289	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@@H]2[C@@H]1c1ccccc1	ZINC000365689737	555641570	/nfs/dbraw/zinc/64/15/70/555641570.db2.gz	BQUIMHYZVURWOX-HOJAQTOUSA-N	1	1	374.444	2.258	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1	ZINC000365746077	555658082	/nfs/dbraw/zinc/65/80/82/555658082.db2.gz	HVMLIRBOLWADCY-FCHUYYIVSA-N	1	1	365.521	2.312	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1	ZINC000365746077	555658085	/nfs/dbraw/zinc/65/80/85/555658085.db2.gz	HVMLIRBOLWADCY-FCHUYYIVSA-N	1	1	365.521	2.312	20	30		FEEDMO
Cc1cccc(NC2CCN(C(=O)C(=O)Nc3cccc(C#N)c3)CC2)[nH+]1	ZINC000366220942	555785273	/nfs/dbraw/zinc/78/52/73/555785273.db2.gz	HCGFKCHOMVQGNZ-UHFFFAOYSA-N	1	1	363.421	2.303	20	30		FEEDMO
Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000366378510	555827008	/nfs/dbraw/zinc/82/70/08/555827008.db2.gz	OLKIFCKVDHJOGE-PKOBYXMFSA-N	1	1	353.422	2.155	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1CC[N@H+](CC)C2	ZINC000367194496	556002836	/nfs/dbraw/zinc/00/28/36/556002836.db2.gz	JRMRKUQQPUDVPQ-BEFAXECRSA-N	1	1	371.481	2.101	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CC[NH+](Cc2ccsc2)CC1	ZINC000367249771	556004177	/nfs/dbraw/zinc/00/41/77/556004177.db2.gz	BGJCPZHFECXSQU-AWEZNQCLSA-N	1	1	370.544	2.028	20	30		FEEDMO
CC(C)[NH+]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1	ZINC000555847494	674378580	/nfs/dbraw/zinc/37/85/80/674378580.db2.gz	NOMHGRQPPDDBRA-UHFFFAOYSA-N	1	1	362.499	2.408	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNCC(=O)N[C@](C)(C#N)C2CC2)[C@H]1c1ccccc1	ZINC000367485478	556063089	/nfs/dbraw/zinc/06/30/89/556063089.db2.gz	YPYBNEFMIBQUMS-DUXKGJEZSA-N	1	1	354.498	2.468	20	30		FEEDMO
N#C[C@]1(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CCc2ccccc2C1	ZINC000367699566	556117970	/nfs/dbraw/zinc/11/79/70/556117970.db2.gz	QYVMDKLSZQYWJF-CTNGQTDRSA-N	1	1	355.482	2.038	20	30		FEEDMO
C=CCOc1cccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c1	ZINC000368349635	556284943	/nfs/dbraw/zinc/28/49/43/556284943.db2.gz	STYUVKLXASRDBE-INIZCTEOSA-N	1	1	356.426	2.467	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+]1CCCN(C(=O)c2ccco2)CC1	ZINC000368353479	556285540	/nfs/dbraw/zinc/28/55/40/556285540.db2.gz	IIPAHSPSVZMJQJ-UHFFFAOYSA-N	1	1	369.421	2.387	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCCN(C(=O)c2ccco2)CC1	ZINC000368353479	556285548	/nfs/dbraw/zinc/28/55/48/556285548.db2.gz	IIPAHSPSVZMJQJ-UHFFFAOYSA-N	1	1	369.421	2.387	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C2CCN(S(=O)(=O)c3cccnc3C#N)CC2)C1	ZINC000368463743	556317725	/nfs/dbraw/zinc/31/77/25/556317725.db2.gz	XRPISEDLJHWYHH-GASCZTMLSA-N	1	1	362.499	2.084	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)CC1	ZINC000368499822	556327748	/nfs/dbraw/zinc/32/77/48/556327748.db2.gz	SVGGGFUPJMMQNZ-NHCUHLMSSA-N	1	1	351.494	2.306	20	30		FEEDMO
C#CCC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CCCCC1	ZINC000368552569	556343440	/nfs/dbraw/zinc/34/34/40/556343440.db2.gz	ZUGDAPBSOZHPHN-AYHJJNSGSA-N	1	1	359.514	2.160	20	30		FEEDMO
Cc1nc(CO[C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)cs1	ZINC000368998695	556472258	/nfs/dbraw/zinc/47/22/58/556472258.db2.gz	BJSFVBGORLQORR-IEBWSBKVSA-N	1	1	373.478	2.354	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O	ZINC000369378067	556584931	/nfs/dbraw/zinc/58/49/31/556584931.db2.gz	POQNCMDYTGJMMC-NFYOSOMSSA-N	1	1	371.481	2.423	20	30		FEEDMO
Cn1c(CC[N@@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)nc2ccccc21	ZINC000369515856	556617211	/nfs/dbraw/zinc/61/72/11/556617211.db2.gz	JVWIPNNBWYUCCU-QRQCRPRQSA-N	1	1	371.444	2.461	20	30		FEEDMO
Cn1c(CC[N@H+]2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)nc2ccccc21	ZINC000369515856	556617213	/nfs/dbraw/zinc/61/72/13/556617213.db2.gz	JVWIPNNBWYUCCU-QRQCRPRQSA-N	1	1	371.444	2.461	20	30		FEEDMO
C[NH+](C)[C@@]1(C(=O)NCc2ccc(OCC#N)cc2)CCOc2ccccc21	ZINC000369600550	556643732	/nfs/dbraw/zinc/64/37/32/556643732.db2.gz	RWLNYACHSORUMB-NRFANRHFSA-N	1	1	365.433	2.445	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C	ZINC000369682574	556667293	/nfs/dbraw/zinc/66/72/93/556667293.db2.gz	FRQVKZJZXYZOSJ-FVVUREQNSA-N	1	1	350.503	2.363	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CN2CCCC2=O)CC1	ZINC000369816073	556703091	/nfs/dbraw/zinc/70/30/91/556703091.db2.gz	MSULAOVNROAQLJ-OAHLLOKOSA-N	1	1	354.454	2.220	20	30		FEEDMO
C=CCN1CC[C@@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1=O	ZINC000369855756	556713577	/nfs/dbraw/zinc/71/35/77/556713577.db2.gz	JDNDOYBWEKIBBG-RTBURBONSA-N	1	1	370.497	2.079	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000369937514	556735603	/nfs/dbraw/zinc/73/56/03/556735603.db2.gz	QHKVJQYGOVRGSE-MJGOQNOKSA-N	1	1	369.513	2.326	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)CC1	ZINC000369994802	556751749	/nfs/dbraw/zinc/75/17/49/556751749.db2.gz	IXNLIRLMFHBKBZ-LJQANCHMSA-N	1	1	353.510	2.455	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000370304291	556834924	/nfs/dbraw/zinc/83/49/24/556834924.db2.gz	XOXAOTTXJAZFQN-MOPGFXCFSA-N	1	1	373.497	2.382	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@]2(C1)CCCN(C)C2=O	ZINC000370406492	556863238	/nfs/dbraw/zinc/86/32/38/556863238.db2.gz	NAIMLEDDNVUBEH-UWJYYQICSA-N	1	1	368.481	2.266	20	30		FEEDMO
CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)COc1ccc(C#N)cc1OC	ZINC000371129092	557082956	/nfs/dbraw/zinc/08/29/56/557082956.db2.gz	MPANEHFJLLNSII-INIZCTEOSA-N	1	1	368.437	2.396	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCc3nn(CC)c(=O)cc3C2)cc(OC)c1O	ZINC000371328789	557148141	/nfs/dbraw/zinc/14/81/41/557148141.db2.gz	ZAGSZRJPKBZNDY-UHFFFAOYSA-N	1	1	355.438	2.264	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CCc3nn(CC)c(=O)cc3C2)cc(OC)c1O	ZINC000371328789	557148145	/nfs/dbraw/zinc/14/81/45/557148145.db2.gz	ZAGSZRJPKBZNDY-UHFFFAOYSA-N	1	1	355.438	2.264	20	30		FEEDMO
C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)[C@@H]2C1	ZINC000371493159	557198998	/nfs/dbraw/zinc/19/89/98/557198998.db2.gz	MYGKLSGCXACASJ-TZMCWYRMSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)[C@@H]2C1	ZINC000371493159	557198999	/nfs/dbraw/zinc/19/89/99/557198999.db2.gz	MYGKLSGCXACASJ-TZMCWYRMSA-N	1	1	373.400	2.292	20	30		FEEDMO
CC(C)(C#N)CCC[N@H+]1CCC[C@H](c2n[nH]cc2NS(C)(=O)=O)C1	ZINC000371551287	557219723	/nfs/dbraw/zinc/21/97/23/557219723.db2.gz	DULNZYPVAUASII-ZDUSSCGKSA-N	1	1	353.492	2.291	20	30		FEEDMO
CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1	ZINC000371610037	557238772	/nfs/dbraw/zinc/23/87/72/557238772.db2.gz	YRZQQQBFWCZAGR-LLVKDONJSA-N	1	1	365.484	2.094	20	30		FEEDMO
CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC000371610037	557238774	/nfs/dbraw/zinc/23/87/74/557238774.db2.gz	YRZQQQBFWCZAGR-LLVKDONJSA-N	1	1	365.484	2.094	20	30		FEEDMO
CCOC(=O)C1(COC)CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000517944237	562101275	/nfs/dbraw/zinc/10/12/75/562101275.db2.gz	LBHCQGDHMJECHZ-UHFFFAOYSA-N	1	1	361.398	2.258	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCCN1CC[NH+](C)CC1	ZINC000518021525	562102688	/nfs/dbraw/zinc/10/26/88/562102688.db2.gz	YJLAREDJJMSBSD-FQEVSTJZSA-N	1	1	372.513	2.105	20	30		FEEDMO
CCN1C(=O)N=NC1C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000372013811	557356166	/nfs/dbraw/zinc/35/61/66/557356166.db2.gz	QUSJUBMKZKJVPP-CYBMUJFWSA-N	1	1	368.441	2.082	20	30		FEEDMO
CC(C)NC(=O)CN1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1	ZINC000372391277	557458898	/nfs/dbraw/zinc/45/88/98/557458898.db2.gz	HKPUZPTVIQEQBS-QGZVFWFLSA-N	1	1	358.486	2.010	20	30		FEEDMO
CC(C)NC(=O)C[N@@H+]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1	ZINC000372391277	557458901	/nfs/dbraw/zinc/45/89/01/557458901.db2.gz	HKPUZPTVIQEQBS-QGZVFWFLSA-N	1	1	358.486	2.010	20	30		FEEDMO
CC(C)NC(=O)C[N@H+]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1	ZINC000372391277	557458902	/nfs/dbraw/zinc/45/89/02/557458902.db2.gz	HKPUZPTVIQEQBS-QGZVFWFLSA-N	1	1	358.486	2.010	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(CN2CC[NH+](C3(C(N)=O)CCCCC3)CC2)cc1	ZINC000372399930	557460750	/nfs/dbraw/zinc/46/07/50/557460750.db2.gz	YDONNHLDFDMNGJ-QGZVFWFLSA-N	1	1	370.497	2.283	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(CN2CC[NH+](C3(C(N)=O)CCCCC3)CC2)cc1	ZINC000372399929	557460771	/nfs/dbraw/zinc/46/07/71/557460771.db2.gz	YDONNHLDFDMNGJ-KRWDZBQOSA-N	1	1	370.497	2.283	20	30		FEEDMO
N#Cc1ncccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000372989268	557604486	/nfs/dbraw/zinc/60/44/86/557604486.db2.gz	JAZFTZLLNZYSBA-QGZVFWFLSA-N	1	1	370.478	2.144	20	30		FEEDMO
COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1	ZINC000373175796	557643850	/nfs/dbraw/zinc/64/38/50/557643850.db2.gz	AAAFFDLYCHVZQD-FUHWJXTLSA-N	1	1	371.437	2.059	20	30		FEEDMO
COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1	ZINC000373175796	557643853	/nfs/dbraw/zinc/64/38/53/557643853.db2.gz	AAAFFDLYCHVZQD-FUHWJXTLSA-N	1	1	371.437	2.059	20	30		FEEDMO
COC(=O)[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC12CCC2	ZINC000373182274	557645923	/nfs/dbraw/zinc/64/59/23/557645923.db2.gz	HKCYJLIAJLSUMV-OAHLLOKOSA-N	1	1	352.394	2.383	20	30		FEEDMO
COC(=O)[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC12CCC2	ZINC000373182274	557645925	/nfs/dbraw/zinc/64/59/25/557645925.db2.gz	HKCYJLIAJLSUMV-OAHLLOKOSA-N	1	1	352.394	2.383	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1	ZINC000373652809	557731856	/nfs/dbraw/zinc/73/18/56/557731856.db2.gz	KBVPOEINFPSUNW-QGZVFWFLSA-N	1	1	367.453	2.037	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1	ZINC000373652809	557731858	/nfs/dbraw/zinc/73/18/58/557731858.db2.gz	KBVPOEINFPSUNW-QGZVFWFLSA-N	1	1	367.453	2.037	20	30		FEEDMO
CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNc2c(C#N)cccc2C#N)cc[nH+]1	ZINC000373685089	557738432	/nfs/dbraw/zinc/73/84/32/557738432.db2.gz	XCQRHFLUYLVZES-HOTGVXAUSA-N	1	1	365.416	2.315	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000373965095	557797319	/nfs/dbraw/zinc/79/73/19/557797319.db2.gz	MNYXBGYLVYYTJH-RBUKOAKNSA-N	1	1	354.454	2.362	20	30		FEEDMO
N#Cc1cccc(OCCC[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)c1	ZINC000374387672	557876750	/nfs/dbraw/zinc/87/67/50/557876750.db2.gz	JRNJQWZKQYFSSE-FQEVSTJZSA-N	1	1	371.481	2.334	20	30		FEEDMO
CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1	ZINC000374818193	557935969	/nfs/dbraw/zinc/93/59/69/557935969.db2.gz	JHQZRVRGPZZRAR-OAHLLOKOSA-N	1	1	359.455	2.032	20	30		FEEDMO
CC(C)(C[N@@H+]1CCn2ccnc2C1)C(=O)N(CCC#N)Cc1ccco1	ZINC000374891615	557946855	/nfs/dbraw/zinc/94/68/55/557946855.db2.gz	CJVPXUNWEWFIGR-UHFFFAOYSA-N	1	1	355.442	2.260	20	30		FEEDMO
CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)N(CCC#N)Cc1ccco1	ZINC000374891615	557946856	/nfs/dbraw/zinc/94/68/56/557946856.db2.gz	CJVPXUNWEWFIGR-UHFFFAOYSA-N	1	1	355.442	2.260	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C[C@@H]21	ZINC000375053975	557970761	/nfs/dbraw/zinc/97/07/61/557970761.db2.gz	JHMIEICGGFVPIB-ZBFHGGJFSA-N	1	1	372.494	2.183	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[NH2+][C@H](c1ccc(OC)cc1)c1ccc2c(c1)CCO2	ZINC000375119028	557980529	/nfs/dbraw/zinc/98/05/29/557980529.db2.gz	BMNPAORQEZWDOW-QVKFZJNVSA-N	1	1	364.445	2.447	20	30		FEEDMO
N#C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@@]12C(=O)Nc1ccccc12	ZINC000375609332	558056385	/nfs/dbraw/zinc/05/63/85/558056385.db2.gz	YQQBXMBSEUZTJJ-HRAATJIYSA-N	1	1	364.449	2.432	20	30		FEEDMO
N#C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)C[C@@]12C(=O)Nc1ccccc12	ZINC000375609332	558056386	/nfs/dbraw/zinc/05/63/86/558056386.db2.gz	YQQBXMBSEUZTJJ-HRAATJIYSA-N	1	1	364.449	2.432	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1	ZINC000375761224	558078351	/nfs/dbraw/zinc/07/83/51/558078351.db2.gz	HEHXAXSQJIWKNI-MSOLQXFVSA-N	1	1	373.453	2.436	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1	ZINC000375761224	558078353	/nfs/dbraw/zinc/07/83/53/558078353.db2.gz	HEHXAXSQJIWKNI-MSOLQXFVSA-N	1	1	373.453	2.436	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@H]2OCC[C@H]2C1	ZINC000376042686	558118352	/nfs/dbraw/zinc/11/83/52/558118352.db2.gz	MTZBYEQWLMPYTF-SOLBZPMBSA-N	1	1	357.454	2.441	20	30		FEEDMO
N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000376191669	558138681	/nfs/dbraw/zinc/13/86/81/558138681.db2.gz	ZGJUALGZBOMYAY-NEPJUHHUSA-N	1	1	362.355	2.221	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1	ZINC000377668064	558391726	/nfs/dbraw/zinc/39/17/26/558391726.db2.gz	JSNZHQKQMLIHSO-SCTDSRPQSA-N	1	1	361.534	2.126	20	30		FEEDMO
C[C@](C#N)(NC(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1	ZINC000377732537	558407383	/nfs/dbraw/zinc/40/73/83/558407383.db2.gz	MMTQNEBRACUNLH-XQBPLPMBSA-N	1	1	366.509	2.249	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000378391151	558546117	/nfs/dbraw/zinc/54/61/17/558546117.db2.gz	BWQYSCUJGIZFBC-SJORKVTESA-N	1	1	363.527	2.058	20	30		FEEDMO
Cc1cc(=NC(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)[nH]n1CCC#N	ZINC000378513445	558573130	/nfs/dbraw/zinc/57/31/30/558573130.db2.gz	SKRYUEMEQIGEBY-PBHICJAKSA-N	1	1	372.498	2.981	20	30		FEEDMO
Cc1cc(NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(C#N)cc1N(C)C	ZINC000408468988	558680795	/nfs/dbraw/zinc/68/07/95/558680795.db2.gz	OPGWCAZWXSRMHD-BEFAXECRSA-N	1	1	371.485	2.117	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1	ZINC000410160305	558742922	/nfs/dbraw/zinc/74/29/22/558742922.db2.gz	YDYYHLDSQFUSNC-IAGOWNOFSA-N	1	1	366.531	2.213	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCN1c1nccn2cnnc12	ZINC000411381401	558886643	/nfs/dbraw/zinc/88/66/43/558886643.db2.gz	CTMWYGPHGZEIBJ-MRXNPFEDSA-N	1	1	353.474	2.499	20	30		FEEDMO
N#Cc1cccnc1OC1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1	ZINC000525852999	562257425	/nfs/dbraw/zinc/25/74/25/562257425.db2.gz	OATJCWBTAQVFAS-UPTPFMHGSA-N	1	1	369.469	2.179	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c1	ZINC000411954846	558994479	/nfs/dbraw/zinc/99/44/79/558994479.db2.gz	PUDHAKBAAOASFL-ZWKOTPCHSA-N	1	1	370.497	2.349	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1	ZINC000411985150	558999233	/nfs/dbraw/zinc/99/92/33/558999233.db2.gz	RUVLEMCJZFUXCY-KYNGSXCRSA-N	1	1	362.433	2.086	20	30		FEEDMO
C=CCC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1)c1ccccc1	ZINC000413402924	559105347	/nfs/dbraw/zinc/10/53/47/559105347.db2.gz	NXSRQVHZHAZVPQ-QZTJIDSGSA-N	1	1	359.470	2.440	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)c1C#N	ZINC000527065292	562275295	/nfs/dbraw/zinc/27/52/95/562275295.db2.gz	FQTINBBHHMMCSM-UHFFFAOYSA-N	1	1	361.453	2.108	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1	ZINC000527103052	562276391	/nfs/dbraw/zinc/27/63/91/562276391.db2.gz	IIYOFPLRMCTCPM-UHFFFAOYSA-N	1	1	371.485	2.380	20	30		FEEDMO
CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)n1C	ZINC000416677617	559329230	/nfs/dbraw/zinc/32/92/30/559329230.db2.gz	DDHBXNUSEVDABE-KRWDZBQOSA-N	1	1	352.442	2.235	20	30		FEEDMO
C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000416872738	559335956	/nfs/dbraw/zinc/33/59/56/559335956.db2.gz	CAXYSOJGKONMEX-NWDGAFQWSA-N	1	1	370.375	2.496	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000416872738	559335957	/nfs/dbraw/zinc/33/59/57/559335957.db2.gz	CAXYSOJGKONMEX-NWDGAFQWSA-N	1	1	370.375	2.496	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c(C#N)cc1N(C)C	ZINC000417125739	559349005	/nfs/dbraw/zinc/34/90/05/559349005.db2.gz	BXIGUYFQVFONAG-OAHLLOKOSA-N	1	1	373.501	2.242	20	30		FEEDMO
C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000417174086	559351264	/nfs/dbraw/zinc/35/12/64/559351264.db2.gz	IDCGPVZRCDDXDO-CHWSQXEVSA-N	1	1	350.850	2.325	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000417174086	559351265	/nfs/dbraw/zinc/35/12/65/559351265.db2.gz	IDCGPVZRCDDXDO-CHWSQXEVSA-N	1	1	350.850	2.325	20	30		FEEDMO
C=C(C)Cn1c(-c2ncccn2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000417489233	559364148	/nfs/dbraw/zinc/36/41/48/559364148.db2.gz	BBYGWNIBZJOTLL-MRXNPFEDSA-N	1	1	355.490	2.479	20	30		FEEDMO
COc1cc(C[NH2+]CC2(C#N)CCC2)ccc1OCC(=O)N1CCCC1	ZINC000418143887	559391737	/nfs/dbraw/zinc/39/17/37/559391737.db2.gz	RJNBQOBZYJHARU-UHFFFAOYSA-N	1	1	357.454	2.480	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCC3(C#N)CCC3)C2)cc(OC)c1	ZINC000419472885	559444110	/nfs/dbraw/zinc/44/41/10/559444110.db2.gz	KLSDAIPOASLFMY-INIZCTEOSA-N	1	1	372.469	2.271	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)NCC3(C#N)CCC3)C2)cc(OC)c1	ZINC000419472885	559444111	/nfs/dbraw/zinc/44/41/11/559444111.db2.gz	KLSDAIPOASLFMY-INIZCTEOSA-N	1	1	372.469	2.271	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N1C[C@@H](C)[NH2+]Cc2ccccc21	ZINC000420465579	559488886	/nfs/dbraw/zinc/48/88/86/559488886.db2.gz	VZFCFYXKVQZJOA-CYBMUJFWSA-N	1	1	357.435	2.254	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C	ZINC000420920013	559511526	/nfs/dbraw/zinc/51/15/26/559511526.db2.gz	AMEDMBBLGJPXHN-PMPSAXMXSA-N	1	1	351.491	2.437	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C	ZINC000420920013	559511527	/nfs/dbraw/zinc/51/15/27/559511527.db2.gz	AMEDMBBLGJPXHN-PMPSAXMXSA-N	1	1	351.491	2.437	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000422432131	559587937	/nfs/dbraw/zinc/58/79/37/559587937.db2.gz	MDFJLWBSPNHTAM-QUCCMNQESA-N	1	1	369.509	2.423	20	30		FEEDMO
C=CCCn1cc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nn1	ZINC000424563553	559669611	/nfs/dbraw/zinc/66/96/11/559669611.db2.gz	OIUOCMMLYMPVGD-UHFFFAOYSA-N	1	1	357.433	2.341	20	30		FEEDMO
C=CCCn1cc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nn1	ZINC000424563553	559669612	/nfs/dbraw/zinc/66/96/12/559669612.db2.gz	OIUOCMMLYMPVGD-UHFFFAOYSA-N	1	1	357.433	2.341	20	30		FEEDMO
C=CCCn1cc(C(=O)Nc2ccc(C[NH+]3CCN(CC)CC3)cc2)nn1	ZINC000424589213	559670395	/nfs/dbraw/zinc/67/03/95/559670395.db2.gz	WVUVOGWGAACQLP-UHFFFAOYSA-N	1	1	368.485	2.244	20	30		FEEDMO
C=CCC1(C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)CCOCC1	ZINC000424750432	559675620	/nfs/dbraw/zinc/67/56/20/559675620.db2.gz	SLPLYICROXBXGJ-UHFFFAOYSA-N	1	1	363.546	2.376	20	30		FEEDMO
C=CCCn1cc(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000424778347	559676388	/nfs/dbraw/zinc/67/63/88/559676388.db2.gz	DYRGJXBUKUPLHY-WMZOPIPTSA-N	1	1	353.470	2.495	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21	ZINC000425057027	559685426	/nfs/dbraw/zinc/68/54/26/559685426.db2.gz	LINPYQMDQMFLAO-DLBZAZTESA-N	1	1	357.454	2.278	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000425454683	559702960	/nfs/dbraw/zinc/70/29/60/559702960.db2.gz	DXKFASXISSEUPU-OKZBNKHCSA-N	1	1	355.486	2.189	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425504376	559706477	/nfs/dbraw/zinc/70/64/77/559706477.db2.gz	WAUSCIAATJUHHX-YSIASYRMSA-N	1	1	354.498	2.201	20	30		FEEDMO
CNC(=O)[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000425535653	559708275	/nfs/dbraw/zinc/70/82/75/559708275.db2.gz	NRWUBMKDZMEQEN-YWZLYKJASA-N	1	1	364.449	2.155	20	30		FEEDMO
CNC(=O)[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000425535653	559708276	/nfs/dbraw/zinc/70/82/76/559708276.db2.gz	NRWUBMKDZMEQEN-YWZLYKJASA-N	1	1	364.449	2.155	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@H]1CCO)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000426251047	559731569	/nfs/dbraw/zinc/73/15/69/559731569.db2.gz	WFGHQEAMCNKGCP-INIZCTEOSA-N	1	1	354.372	2.020	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)COc3ccc(Cl)cc3)C2)nc1	ZINC000428792494	559783546	/nfs/dbraw/zinc/78/35/46/559783546.db2.gz	XBMAKMUDVUABQG-FUHWJXTLSA-N	1	1	373.840	2.500	20	30		FEEDMO
C[C@H](c1ccccc1)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C(N)=O	ZINC000428860740	559784875	/nfs/dbraw/zinc/78/48/75/559784875.db2.gz	NHMOVURUZTWKQN-KZULUSFZSA-N	1	1	370.840	2.397	20	30		FEEDMO
CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1	ZINC000428864264	559785213	/nfs/dbraw/zinc/78/52/13/559785213.db2.gz	SIRFSNQNUBZRDA-QGZVFWFLSA-N	1	1	363.483	2.176	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000527352271	562286204	/nfs/dbraw/zinc/28/62/04/562286204.db2.gz	FNJFGEZNURWKHG-FAEJEUNOSA-N	1	1	371.485	2.379	20	30		FEEDMO
CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000434709994	559907040	/nfs/dbraw/zinc/90/70/40/559907040.db2.gz	YTDZHWXNRUCROE-UHFFFAOYSA-N	1	1	355.442	2.151	20	30		FEEDMO
CN(CC[N@H+]1CCOC(C)(C)C1)Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000434709994	559907041	/nfs/dbraw/zinc/90/70/41/559907041.db2.gz	YTDZHWXNRUCROE-UHFFFAOYSA-N	1	1	355.442	2.151	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1	ZINC000437626324	559967008	/nfs/dbraw/zinc/96/70/08/559967008.db2.gz	IRHZEQSFYMTXSA-BZSNNMDCSA-N	1	1	353.507	2.014	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c(OC(F)F)c1	ZINC000437880722	559970954	/nfs/dbraw/zinc/97/09/54/559970954.db2.gz	GYIKFHLDJHGRPH-MRXNPFEDSA-N	1	1	351.397	2.456	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c(OC(F)F)c1	ZINC000437880722	559970955	/nfs/dbraw/zinc/97/09/55/559970955.db2.gz	GYIKFHLDJHGRPH-MRXNPFEDSA-N	1	1	351.397	2.456	20	30		FEEDMO
CC(C)(CNc1c(C#N)cnc2c(F)c(F)c(F)cc21)[NH+]1CCOCC1	ZINC000439138910	559989086	/nfs/dbraw/zinc/98/90/86/559989086.db2.gz	WPMKAZPEZYMQHK-UHFFFAOYSA-N	1	1	364.371	2.468	20	30		FEEDMO
CC(C)(C)OC(=O)CN[C@]1(C)CC[N@@H+](CCCC2(C#N)CCOCC2)C1	ZINC000440502048	560012658	/nfs/dbraw/zinc/01/26/58/560012658.db2.gz	RCFBJAPXFYGSJR-LJQANCHMSA-N	1	1	365.518	2.483	20	30		FEEDMO
C=CCN(C(=O)NCC[N@@H+](C)C1CC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000441316740	560028470	/nfs/dbraw/zinc/02/84/70/560028470.db2.gz	UVIXJWSWAHSQBX-OAHLLOKOSA-N	1	1	369.473	2.015	20	30		FEEDMO
CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000441519830	560034995	/nfs/dbraw/zinc/03/49/95/560034995.db2.gz	BNNDURHWWYEAOB-GOSISDBHSA-N	1	1	357.414	2.182	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000442272791	560047520	/nfs/dbraw/zinc/04/75/20/560047520.db2.gz	UHAKXCUUVWHXTC-GHMZBOCLSA-N	1	1	368.359	2.067	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000442272791	560047521	/nfs/dbraw/zinc/04/75/21/560047521.db2.gz	UHAKXCUUVWHXTC-GHMZBOCLSA-N	1	1	368.359	2.067	20	30		FEEDMO
C=CC[C@H]1[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CCCC1(C)C	ZINC000444784359	560120728	/nfs/dbraw/zinc/12/07/28/560120728.db2.gz	NMWFLAAIKCGAFZ-MRXNPFEDSA-N	1	1	365.499	2.339	20	30		FEEDMO
C[C@H](CNC(=O)COc1cccc(Br)c1C#N)[N@@H+](C)C1CC1	ZINC000449834193	560241838	/nfs/dbraw/zinc/24/18/38/560241838.db2.gz	JHJBGWCOZDVJPK-LLVKDONJSA-N	1	1	366.259	2.298	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)[nH]c3C)C2)cc(OC)c1	ZINC000450087590	560250410	/nfs/dbraw/zinc/25/04/10/560250410.db2.gz	GEJBWEYSLHBPNW-OAHLLOKOSA-N	1	1	368.437	2.216	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)[nH]c3C)C2)cc(OC)c1	ZINC000450087590	560250411	/nfs/dbraw/zinc/25/04/11/560250411.db2.gz	GEJBWEYSLHBPNW-OAHLLOKOSA-N	1	1	368.437	2.216	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)c2ncc(Br)cc2C#N)C[C@H](C)O1	ZINC000450483465	560263586	/nfs/dbraw/zinc/26/35/86/560263586.db2.gz	JMKSDAKLGFRZGW-TXEJJXNPSA-N	1	1	353.264	2.261	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)c2ncc(Br)cc2C#N)C[C@H](C)O1	ZINC000450483465	560263587	/nfs/dbraw/zinc/26/35/87/560263587.db2.gz	JMKSDAKLGFRZGW-TXEJJXNPSA-N	1	1	353.264	2.261	20	30		FEEDMO
C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000450480658	560263655	/nfs/dbraw/zinc/26/36/55/560263655.db2.gz	BWQLYKFMWIDODR-GPMSIDNRSA-N	1	1	351.454	2.023	20	30		FEEDMO
C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C(C)(C)C1	ZINC000450521191	560264978	/nfs/dbraw/zinc/26/49/78/560264978.db2.gz	XBAWYWRLADIRDP-AWEZNQCLSA-N	1	1	374.872	2.117	20	30		FEEDMO
CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1	ZINC000450989326	560281316	/nfs/dbraw/zinc/28/13/16/560281316.db2.gz	QQEJPANOUXJEKU-UHFFFAOYSA-N	1	1	355.891	2.368	20	30		FEEDMO
C[C@@](CO)([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(O)c1	ZINC000451040028	560284122	/nfs/dbraw/zinc/28/41/22/560284122.db2.gz	QSKWXBBMUDOLLT-FQEVSTJZSA-N	1	1	353.422	2.136	20	30		FEEDMO
Cc1ccc([C@@H](CNS(=O)(=O)CC2(CC#N)CC2)[NH+]2CCCC2)o1	ZINC000451155512	560290311	/nfs/dbraw/zinc/29/03/11/560290311.db2.gz	PLOPCAUKHPBQDD-OAHLLOKOSA-N	1	1	351.472	2.338	20	30		FEEDMO
CC(C)(CC#N)CS(=O)(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000451162866	560290603	/nfs/dbraw/zinc/29/06/03/560290603.db2.gz	AWBPHBKAMKQOAF-SFHVURJKSA-N	1	1	363.527	2.410	20	30		FEEDMO
Cc1ccccc1CC[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000451168908	560291152	/nfs/dbraw/zinc/29/11/52/560291152.db2.gz	YCRREWJCJCZQMC-HXUWFJFHSA-N	1	1	356.514	2.162	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1	ZINC000451214738	560293688	/nfs/dbraw/zinc/29/36/88/560293688.db2.gz	XUJHOJMCNLSGMW-HOTGVXAUSA-N	1	1	362.518	2.331	20	30		FEEDMO
CC[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000451253351	560296113	/nfs/dbraw/zinc/29/61/13/560296113.db2.gz	JNWGCEWMFDTREN-DOTOQJQBSA-N	1	1	368.399	2.266	20	30		FEEDMO
C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000453417318	560386342	/nfs/dbraw/zinc/38/63/42/560386342.db2.gz	ZVXAJUZYXXPQLU-NXOAAHMSSA-N	1	1	363.506	2.250	20	30		FEEDMO
C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000453417318	560386343	/nfs/dbraw/zinc/38/63/43/560386343.db2.gz	ZVXAJUZYXXPQLU-NXOAAHMSSA-N	1	1	363.506	2.250	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1	ZINC000453448473	560386851	/nfs/dbraw/zinc/38/68/51/560386851.db2.gz	CLUYYQUWHSYBFC-DLBZAZTESA-N	1	1	365.522	2.497	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1	ZINC000453465611	560387413	/nfs/dbraw/zinc/38/74/13/560387413.db2.gz	NJEAQPJDXXCNNG-IRXDYDNUSA-N	1	1	363.506	2.253	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1	ZINC000453614894	560391370	/nfs/dbraw/zinc/39/13/70/560391370.db2.gz	PVGSLFRYDCGJCG-OWCLPIDISA-N	1	1	356.470	2.288	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453617654	560391517	/nfs/dbraw/zinc/39/15/17/560391517.db2.gz	YRFUUPJQVYDHGK-INIZCTEOSA-N	1	1	356.470	2.462	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@H+]1C	ZINC000453666038	560394873	/nfs/dbraw/zinc/39/48/73/560394873.db2.gz	WBQBKQTZPVOVHB-BBRMVZONSA-N	1	1	372.469	2.273	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453745031	560401185	/nfs/dbraw/zinc/40/11/85/560401185.db2.gz	GIDPITCCXQDQGZ-LBPRGKRZSA-N	1	1	350.850	2.189	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC[N@H+](C2CCC2)C1	ZINC000453768150	560402905	/nfs/dbraw/zinc/40/29/05/560402905.db2.gz	UFUXNDDRDHHDMV-HNNXBMFYSA-N	1	1	354.454	2.024	20	30		FEEDMO
C[N@@H+](CCc1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H](CC#N)C2)c1)C1CC1	ZINC000453862258	560408988	/nfs/dbraw/zinc/40/89/88/560408988.db2.gz	YOODCNHSVMEAQD-WMZOPIPTSA-N	1	1	368.481	2.460	20	30		FEEDMO
C=C(C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1	ZINC000453874834	560409905	/nfs/dbraw/zinc/40/99/05/560409905.db2.gz	KQUZIFOJWWUPMW-HZPDHXFCSA-N	1	1	359.470	2.317	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000454049619	560424919	/nfs/dbraw/zinc/42/49/19/560424919.db2.gz	CNTDSFXSSYSFHK-APWZRJJASA-N	1	1	373.497	2.300	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1C#N	ZINC000454103528	560429437	/nfs/dbraw/zinc/42/94/37/560429437.db2.gz	PMKNXHDSZVPTCG-KRWDZBQOSA-N	1	1	372.469	2.225	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)[N@H+]1CCO	ZINC000454891167	560462363	/nfs/dbraw/zinc/46/23/63/560462363.db2.gz	JREZWPMENRXKJJ-TXEJJXNPSA-N	1	1	370.375	2.496	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)[N@@H+]1CCO	ZINC000454891167	560462364	/nfs/dbraw/zinc/46/23/64/560462364.db2.gz	JREZWPMENRXKJJ-TXEJJXNPSA-N	1	1	370.375	2.496	20	30		FEEDMO
C=CCC[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)C(=O)OCC	ZINC000456600948	560525454	/nfs/dbraw/zinc/52/54/54/560525454.db2.gz	FONJUFOPLDPRPC-RTBURBONSA-N	1	1	374.481	2.199	20	30		FEEDMO
CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc(C)c(C#N)cn1	ZINC000457492122	560570419	/nfs/dbraw/zinc/57/04/19/560570419.db2.gz	SZPMDAGHNRHBAA-KRWDZBQOSA-N	1	1	372.469	2.141	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC	ZINC000458734776	560644665	/nfs/dbraw/zinc/64/46/65/560644665.db2.gz	MTTXLPWWHMCUPO-BBCBXFPWSA-N	1	1	365.518	2.251	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1	ZINC000459274087	560677010	/nfs/dbraw/zinc/67/70/10/560677010.db2.gz	ZHGXCKOSVUPROO-GOSISDBHSA-N	1	1	358.486	2.448	20	30		FEEDMO
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N	ZINC000459466232	560687968	/nfs/dbraw/zinc/68/79/68/560687968.db2.gz	ODIZBBYAFAEZAI-APWZRJJASA-N	1	1	351.454	2.387	20	30		FEEDMO
C[NH+](C)CC(C)(C)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000459549992	560693507	/nfs/dbraw/zinc/69/35/07/560693507.db2.gz	OCCDOCNJKTVEOL-UHFFFAOYSA-N	1	1	355.404	2.103	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@@H]3CCC[C@@H]3C#N)c2)CCO1	ZINC000461941151	560788940	/nfs/dbraw/zinc/78/89/40/560788940.db2.gz	NFYOAMJWSZVYGO-ATZDWAIDSA-N	1	1	356.470	2.399	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@@H]3CCC[C@@H]3C#N)c2)CCO1	ZINC000461941151	560788941	/nfs/dbraw/zinc/78/89/41/560788941.db2.gz	NFYOAMJWSZVYGO-ATZDWAIDSA-N	1	1	356.470	2.399	20	30		FEEDMO
C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1C#N)[NH+]1CCN(c2ccccc2)CC1	ZINC000461963620	560789838	/nfs/dbraw/zinc/78/98/38/560789838.db2.gz	ZPDNDNKJQAPWFG-ZHALLVOQSA-N	1	1	355.486	2.189	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)N[C@@H]2CCC[C@H]2C#N)[C@H](c2ccccc2)C1	ZINC000461961465	560789909	/nfs/dbraw/zinc/78/99/09/560789909.db2.gz	VASUFVRJIHYORT-ZCNNSNEGSA-N	1	1	369.513	2.357	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)N[C@@H]2CCC[C@H]2C#N)[C@H](c2ccccc2)C1	ZINC000461961465	560789910	/nfs/dbraw/zinc/78/99/10/560789910.db2.gz	VASUFVRJIHYORT-ZCNNSNEGSA-N	1	1	369.513	2.357	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)N[C@@H]2CCC[C@H]2C#N)[C@H](c2ccccc2)C1	ZINC000461961465	560789911	/nfs/dbraw/zinc/78/99/11/560789911.db2.gz	VASUFVRJIHYORT-ZCNNSNEGSA-N	1	1	369.513	2.357	20	30		FEEDMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)N[C@@H]2CCC[C@H]2C#N)c1	ZINC000461960238	560789943	/nfs/dbraw/zinc/78/99/43/560789943.db2.gz	SXSKLKJVDDREBZ-PKOBYXMFSA-N	1	1	374.485	2.135	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1C	ZINC000467155405	560905074	/nfs/dbraw/zinc/90/50/74/560905074.db2.gz	OIGPZRUKMXWBAX-DGCLKSJQSA-N	1	1	357.426	2.330	20	30		FEEDMO
N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)cc1	ZINC000471149110	560999315	/nfs/dbraw/zinc/99/93/15/560999315.db2.gz	YTVLWTGFHBIQLA-GOSISDBHSA-N	1	1	355.463	2.478	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)n1	ZINC000471814752	561012361	/nfs/dbraw/zinc/01/23/61/561012361.db2.gz	FIXRBWRCYGABCB-GBESFXJTSA-N	1	1	367.497	2.221	20	30		FEEDMO
C=CCC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(CC)cc2)CC1	ZINC000472588160	561030239	/nfs/dbraw/zinc/03/02/39/561030239.db2.gz	IYAGWDVMOQTISD-MJGOQNOKSA-N	1	1	360.498	2.488	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)[C@H](CC)CN1C(C)=O	ZINC000528395362	562326743	/nfs/dbraw/zinc/32/67/43/562326743.db2.gz	NMEILTWQXSWPBU-QRVBRYPASA-N	1	1	359.470	2.019	20	30		FEEDMO
CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000529701488	562381563	/nfs/dbraw/zinc/38/15/63/562381563.db2.gz	IDFRWHDJPNQJJA-FUHWJXTLSA-N	1	1	366.469	2.080	20	30		FEEDMO
CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000529701489	562381670	/nfs/dbraw/zinc/38/16/70/562381670.db2.gz	IDFRWHDJPNQJJA-SJLPKXTDSA-N	1	1	366.469	2.080	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@@H]2C)c1C#N	ZINC000530361207	562408160	/nfs/dbraw/zinc/40/81/60/562408160.db2.gz	CBLRFWSQZFVNNM-BBRMVZONSA-N	1	1	370.453	2.402	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1	ZINC000531614814	562451657	/nfs/dbraw/zinc/45/16/57/562451657.db2.gz	ITPKCMVRODKUSU-HZPDHXFCSA-N	1	1	351.491	2.438	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1	ZINC000531614814	562451658	/nfs/dbraw/zinc/45/16/58/562451658.db2.gz	ITPKCMVRODKUSU-HZPDHXFCSA-N	1	1	351.491	2.438	20	30		FEEDMO
C=CC[N@H+](Cc1cn2cccnc2n1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000531904870	562460855	/nfs/dbraw/zinc/46/08/55/562460855.db2.gz	JFDSYVRMGZSPDL-OAHLLOKOSA-N	1	1	360.425	2.454	20	30		FEEDMO
C=CC[N@@H+](Cc1cn2cccnc2n1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000531904870	562460856	/nfs/dbraw/zinc/46/08/56/562460856.db2.gz	JFDSYVRMGZSPDL-OAHLLOKOSA-N	1	1	360.425	2.454	20	30		FEEDMO
N#CCc1ccnc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1	ZINC000532181006	562470061	/nfs/dbraw/zinc/47/00/61/562470061.db2.gz	JVUWOGYTIZCDSZ-GOSISDBHSA-N	1	1	350.422	2.377	20	30		FEEDMO
N#CCc1ccnc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1	ZINC000532181006	562470062	/nfs/dbraw/zinc/47/00/62/562470062.db2.gz	JVUWOGYTIZCDSZ-GOSISDBHSA-N	1	1	350.422	2.377	20	30		FEEDMO
N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c(F)c1	ZINC000532783333	562488560	/nfs/dbraw/zinc/48/85/60/562488560.db2.gz	AXIGPPHHLYCALR-UHFFFAOYSA-N	1	1	373.862	2.480	20	30		FEEDMO
COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cc1F	ZINC000532783714	562488756	/nfs/dbraw/zinc/48/87/56/562488756.db2.gz	AXLJGFHPWBYZKO-IBGZPJMESA-N	1	1	355.413	2.161	20	30		FEEDMO
C=CCCOCCNC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000534518317	562535740	/nfs/dbraw/zinc/53/57/40/562535740.db2.gz	MWQGZVRBRGDITJ-PKOBYXMFSA-N	1	1	361.486	2.168	20	30		FEEDMO
C=CCCOCCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000534518317	562535741	/nfs/dbraw/zinc/53/57/41/562535741.db2.gz	MWQGZVRBRGDITJ-PKOBYXMFSA-N	1	1	361.486	2.168	20	30		FEEDMO
N#Cc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)s1	ZINC000536433222	562575496	/nfs/dbraw/zinc/57/54/96/562575496.db2.gz	MGQYKVHEPCIAMS-DOTOQJQBSA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)s1	ZINC000536433222	562575497	/nfs/dbraw/zinc/57/54/97/562575497.db2.gz	MGQYKVHEPCIAMS-DOTOQJQBSA-N	1	1	355.463	2.233	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000536916891	562582753	/nfs/dbraw/zinc/58/27/53/562582753.db2.gz	ORGRPZUGAFFRAH-CALCHBBNSA-N	1	1	371.481	2.289	20	30		FEEDMO
C[C@@H]1C[N@H+](CCOC2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000536916891	562582754	/nfs/dbraw/zinc/58/27/54/562582754.db2.gz	ORGRPZUGAFFRAH-CALCHBBNSA-N	1	1	371.481	2.289	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)cc1	ZINC000541315270	562608877	/nfs/dbraw/zinc/60/88/77/562608877.db2.gz	AMTZXAIDCOWHFR-IPELMVKDSA-N	1	1	357.454	2.035	20	30		FEEDMO
N#Cc1cccc(N2CC[NH+](C[C@H](O)COc3ccccc3Cl)CC2)n1	ZINC000546211567	562635219	/nfs/dbraw/zinc/63/52/19/562635219.db2.gz	RQPDYEJZBHKQGY-INIZCTEOSA-N	1	1	372.856	2.169	20	30		FEEDMO
N#Cc1cnn2cc(C[NH2+]C3CCN(CCc4ccccc4)CC3)cnc12	ZINC000550156986	562643388	/nfs/dbraw/zinc/64/33/88/562643388.db2.gz	PEMJAOUPNCAASF-UHFFFAOYSA-N	1	1	360.465	2.398	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H](C)N1CC#N	ZINC000602852598	568001663	/nfs/dbraw/zinc/00/16/63/568001663.db2.gz	DCDZXKHTAJWQQI-ZVDOUQERSA-N	1	1	356.514	2.196	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1	ZINC000602890253	568007160	/nfs/dbraw/zinc/00/71/60/568007160.db2.gz	ZJZRIWXAJDCRPC-WBVHZDCISA-N	1	1	351.454	2.427	20	30		FEEDMO
CO[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@](C)(CO)C1	ZINC000602963400	568023548	/nfs/dbraw/zinc/02/35/48/568023548.db2.gz	FNZUWDREWGADBR-FXAWDEMLSA-N	1	1	359.470	2.022	20	30		FEEDMO
CO[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@](C)(CO)C1	ZINC000602963400	568023550	/nfs/dbraw/zinc/02/35/50/568023550.db2.gz	FNZUWDREWGADBR-FXAWDEMLSA-N	1	1	359.470	2.022	20	30		FEEDMO
C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000568557179	568051267	/nfs/dbraw/zinc/05/12/67/568051267.db2.gz	DSYUAGCKMZXLEZ-HXUWFJFHSA-N	1	1	365.433	2.318	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1	ZINC000603173490	568071220	/nfs/dbraw/zinc/07/12/20/568071220.db2.gz	WZJNJXNAIRZEEO-ICSRJNTNSA-N	1	1	366.469	2.110	20	30		FEEDMO
CCN1CCC([N@@H+]2CCCN(C(=O)Cc3c(F)cccc3C#N)CC2)CC1	ZINC000568747229	568176503	/nfs/dbraw/zinc/17/65/03/568176503.db2.gz	HTVRCTGJTAZRQV-UHFFFAOYSA-N	1	1	372.488	2.258	20	30		FEEDMO
CCN1CCC([N@H+]2CCCN(C(=O)Cc3c(F)cccc3C#N)CC2)CC1	ZINC000568747229	568176504	/nfs/dbraw/zinc/17/65/04/568176504.db2.gz	HTVRCTGJTAZRQV-UHFFFAOYSA-N	1	1	372.488	2.258	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1	ZINC000603901466	568180092	/nfs/dbraw/zinc/18/00/92/568180092.db2.gz	QIEHGOMQDKLNNZ-IBGZPJMESA-N	1	1	353.422	2.386	20	30		FEEDMO
C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000570231500	568463844	/nfs/dbraw/zinc/46/38/44/568463844.db2.gz	HMGYDLSSEPPWES-UIBIWLFHSA-N	1	1	356.470	2.299	20	30		FEEDMO
C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000570231500	568463846	/nfs/dbraw/zinc/46/38/46/568463846.db2.gz	HMGYDLSSEPPWES-UIBIWLFHSA-N	1	1	356.470	2.299	20	30		FEEDMO
Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)nc(C)[nH+]1	ZINC000738409298	600569049	/nfs/dbraw/zinc/56/90/49/600569049.db2.gz	SLOCCMZEIXEPBQ-IEBWSBKVSA-N	1	1	365.437	2.349	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1	ZINC000809688702	674505238	/nfs/dbraw/zinc/50/52/38/674505238.db2.gz	OBQFEYJNOJAHNU-DOTOQJQBSA-N	1	1	365.499	2.081	20	30		FEEDMO
C=CCCCCC[N@@H+](C)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000823894535	607828582	/nfs/dbraw/zinc/82/85/82/607828582.db2.gz	SLUUPGDZWDAPOK-UHFFFAOYSA-N	1	1	363.487	2.319	20	30		FEEDMO
C=CCCCCC[N@H+](C)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000823894535	607828583	/nfs/dbraw/zinc/82/85/83/607828583.db2.gz	SLUUPGDZWDAPOK-UHFFFAOYSA-N	1	1	363.487	2.319	20	30		FEEDMO
C=CCOCCNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21	ZINC000823925984	609573805	/nfs/dbraw/zinc/57/38/05/609573805.db2.gz	UFGHHAYCFYJVRD-UHFFFAOYSA-N	1	1	362.340	2.053	20	30		FEEDMO
C#C[C@@H](NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1	ZINC000811890651	674636122	/nfs/dbraw/zinc/63/61/22/674636122.db2.gz	XFJFLBXKHGAHOJ-CRAIPNDOSA-N	1	1	362.905	2.197	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(F)cc1	ZINC000561548119	674678337	/nfs/dbraw/zinc/67/83/37/674678337.db2.gz	QSOZPIUJJCNKDA-KRWDZBQOSA-N	1	1	365.405	2.418	20	30		FEEDMO
COc1ccc([C@@H](CCC#N)[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1	ZINC000562495603	674762835	/nfs/dbraw/zinc/76/28/35/674762835.db2.gz	OOGDHDVYIZKCRB-MRXNPFEDSA-N	1	1	353.488	2.348	20	30		FEEDMO
C[C@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)n1cnc(C#N)n1	ZINC000563660146	674923383	/nfs/dbraw/zinc/92/33/83/674923383.db2.gz	NSWPRYLAZXREHT-GFCCVEGCSA-N	1	1	359.459	2.182	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CC(CC)CC)C[C@@H]1O	ZINC001047557445	674960262	/nfs/dbraw/zinc/96/02/62/674960262.db2.gz	WUKCJMBYZKGZJO-VJANTYMQSA-N	1	1	352.519	2.297	20	30		FEEDMO
Cc1cc(CNS(=O)(=O)CC2(C#N)CCCC2)cc(N2CCCC2)[nH+]1	ZINC000564409836	675011910	/nfs/dbraw/zinc/01/19/10/675011910.db2.gz	MYEZQUGQZQVQQI-UHFFFAOYSA-N	1	1	362.499	2.494	20	30		FEEDMO
CC1=C[C@@H](C)C[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000569181737	670521479	/nfs/dbraw/zinc/52/14/79/670521479.db2.gz	WOTZSAQJKMCJFI-WBVHZDCISA-N	1	1	358.511	2.355	20	30		FEEDMO
C#CCOc1ccc(Br)cc1C[NH2+][C@@H](C)CS(=O)(=O)CC	ZINC000113350709	670883867	/nfs/dbraw/zinc/88/38/67/670883867.db2.gz	PPOZQTGUNLJEKL-LBPRGKRZSA-N	1	1	374.300	2.374	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCO[C@@H](CF)C1)CCC2	ZINC000573781182	671163745	/nfs/dbraw/zinc/16/37/45/671163745.db2.gz	JLPCWFLRZGORDJ-LBPRGKRZSA-N	1	1	351.447	2.497	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSc2cccc(F)c2C#N)C1	ZINC000574412493	671237584	/nfs/dbraw/zinc/23/75/84/671237584.db2.gz	BGSMYTBHTIWMJP-CQSZACIVSA-N	1	1	365.474	2.262	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CCn1cc(Br)cn1	ZINC000576309970	671359425	/nfs/dbraw/zinc/35/94/25/671359425.db2.gz	MWGOYWNQDAWKPJ-CYBMUJFWSA-N	1	1	355.280	2.167	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CCn1cc(Br)cn1	ZINC000576309970	671359429	/nfs/dbraw/zinc/35/94/29/671359429.db2.gz	MWGOYWNQDAWKPJ-CYBMUJFWSA-N	1	1	355.280	2.167	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+](CC(N)=O)C2CCCC2)sc2c1CCC2	ZINC000609144051	675911812	/nfs/dbraw/zinc/91/18/12/675911812.db2.gz	IWODRCAAQWOFOI-UHFFFAOYSA-N	1	1	360.483	2.167	20	30		FEEDMO
C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000579031250	671707434	/nfs/dbraw/zinc/70/74/34/671707434.db2.gz	KVWIQARMBVXIGM-RYUDHWBXSA-N	1	1	362.499	2.407	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000579031250	671707437	/nfs/dbraw/zinc/70/74/37/671707437.db2.gz	KVWIQARMBVXIGM-RYUDHWBXSA-N	1	1	362.499	2.407	20	30		FEEDMO
CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1	ZINC000121418778	671949149	/nfs/dbraw/zinc/94/91/49/671949149.db2.gz	MPZUBHCZBCYRES-GJZGRUSLSA-N	1	1	369.458	2.265	20	30		FEEDMO
COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)CC2(C#N)CCCC2)cc1	ZINC000582612436	672018554	/nfs/dbraw/zinc/01/85/54/672018554.db2.gz	SSTSREGWLWJDPT-KRWDZBQOSA-N	1	1	365.499	2.301	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Br)c1	ZINC000611181812	676023279	/nfs/dbraw/zinc/02/32/79/676023279.db2.gz	JQYSHMWMDJUYCD-HOTGVXAUSA-N	1	1	350.260	2.356	20	30		FEEDMO
C=C(Br)CNC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000246504817	672838070	/nfs/dbraw/zinc/83/80/70/672838070.db2.gz	ULACSXVGPJQZLR-MELADBBJSA-N	1	1	360.296	2.178	20	30		FEEDMO
CCC(CC)[C@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)[NH+]1CCOCC1	ZINC000612099546	676068507	/nfs/dbraw/zinc/06/85/07/676068507.db2.gz	YVGHFUARUVVQAA-HKUYNNGSSA-N	1	1	350.507	2.459	20	30		FEEDMO
C[N@H+]1CCN(CC(=O)Nc2sccc2C#N)[C@@H](Cc2ccccc2)C1	ZINC000593088873	672874315	/nfs/dbraw/zinc/87/43/15/672874315.db2.gz	MQMXTJCDZQFPGE-KRWDZBQOSA-N	1	1	354.479	2.417	20	30		FEEDMO
C[C@@H]1CN(Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C[C@H](C)O1	ZINC000303899836	673018520	/nfs/dbraw/zinc/01/85/20/673018520.db2.gz	RTUCMSRUTBUDDU-IYBDPMFKSA-N	1	1	362.543	2.159	20	30		FEEDMO
COCCN1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1	ZINC000303979229	673019609	/nfs/dbraw/zinc/01/96/09/673019609.db2.gz	MXUCMFWXFQRBGJ-ZDUSSCGKSA-N	1	1	360.380	2.423	20	30		FEEDMO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1	ZINC000594325722	673058645	/nfs/dbraw/zinc/05/86/45/673058645.db2.gz	ITEHOFJXXVESPS-GOEBONIOSA-N	1	1	360.845	2.283	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)[C@H](C)C1	ZINC000329301106	673074774	/nfs/dbraw/zinc/07/47/74/673074774.db2.gz	VZYWNBADIWNRSM-IXDOHACOSA-N	1	1	353.507	2.169	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)N3CCCOCC3)CC2)oc1C	ZINC000329453223	673077515	/nfs/dbraw/zinc/07/75/15/673077515.db2.gz	NPXFNTLDRGRWCD-UHFFFAOYSA-N	1	1	350.463	2.140	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1	ZINC000594483471	673086932	/nfs/dbraw/zinc/08/69/32/673086932.db2.gz	LJOUMGSRPPIIRK-DLBZAZTESA-N	1	1	351.447	2.134	20	30		FEEDMO
Cn1cc(C[C@@H]2CC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)cn1	ZINC000370234997	673149505	/nfs/dbraw/zinc/14/95/05/673149505.db2.gz	BSFSCNZWRLWMAB-BBRMVZONSA-N	1	1	355.467	2.023	20	30		FEEDMO
Cn1cc(C[C@@H]2CC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)cn1	ZINC000370234997	673149509	/nfs/dbraw/zinc/14/95/09/673149509.db2.gz	BSFSCNZWRLWMAB-BBRMVZONSA-N	1	1	355.467	2.023	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1	ZINC000595393416	673240910	/nfs/dbraw/zinc/24/09/10/673240910.db2.gz	AZYQGWVLGLXFJQ-IBGZPJMESA-N	1	1	355.463	2.252	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1	ZINC000595393416	673240912	/nfs/dbraw/zinc/24/09/12/673240912.db2.gz	AZYQGWVLGLXFJQ-IBGZPJMESA-N	1	1	355.463	2.252	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1	ZINC000595409186	673245397	/nfs/dbraw/zinc/24/53/97/673245397.db2.gz	AYWNQDQIGALLTN-HNNXBMFYSA-N	1	1	351.447	2.098	20	30		FEEDMO
N#Cc1ccc(Br)c(C[NH+]2CCC(c3nc(N)n[nH]3)CC2)c1	ZINC000595489732	673257222	/nfs/dbraw/zinc/25/72/22/673257222.db2.gz	ODACQDFIECEZNC-UHFFFAOYSA-N	1	1	361.247	2.401	20	30		FEEDMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=S)Nc1ccc(C#N)c(Cl)c1	ZINC000730157524	673264478	/nfs/dbraw/zinc/26/44/78/673264478.db2.gz	UIPDOIBYWJFGDA-GFCCVEGCSA-N	1	1	351.907	2.134	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(OC)ccc1Br	ZINC000730277823	673268556	/nfs/dbraw/zinc/26/85/56/673268556.db2.gz	CTLWWYOMXKVMTO-HNNXBMFYSA-N	1	1	351.244	2.172	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(OC)ccc1Br	ZINC000730277823	673268558	/nfs/dbraw/zinc/26/85/58/673268558.db2.gz	CTLWWYOMXKVMTO-HNNXBMFYSA-N	1	1	351.244	2.172	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1	ZINC000730284525	673269065	/nfs/dbraw/zinc/26/90/65/673269065.db2.gz	WISRAFNVBUQXMF-CVEARBPZSA-N	1	1	361.873	2.141	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1	ZINC000730284525	673269067	/nfs/dbraw/zinc/26/90/67/673269067.db2.gz	WISRAFNVBUQXMF-CVEARBPZSA-N	1	1	361.873	2.141	20	30		FEEDMO
N#C[C@@H](c1cccc(Cl)c1)N1CCN(CC[N@H+]2CCCOCC2)CC1	ZINC000463211478	673300781	/nfs/dbraw/zinc/30/07/81/673300781.db2.gz	FSNLYZMETXUYHP-IBGZPJMESA-N	1	1	362.905	2.245	20	30		FEEDMO
N#Cc1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(OC(F)F)c1	ZINC000595865160	673331651	/nfs/dbraw/zinc/33/16/51/673331651.db2.gz	FWKOQFCXNKMGKW-MRXNPFEDSA-N	1	1	351.397	2.191	20	30		FEEDMO
COCCC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000596980335	673432568	/nfs/dbraw/zinc/43/25/68/673432568.db2.gz	MUEMABDRBGUDMQ-GOSISDBHSA-N	1	1	362.495	2.267	20	30		FEEDMO
COCCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000596980335	673432572	/nfs/dbraw/zinc/43/25/72/673432572.db2.gz	MUEMABDRBGUDMQ-GOSISDBHSA-N	1	1	362.495	2.267	20	30		FEEDMO
C[NH+](C)CCN1CCC(CNC(=O)c2ccccc2SCC#N)CC1	ZINC000733976004	673447484	/nfs/dbraw/zinc/44/74/84/673447484.db2.gz	DJFGTBOZVKWCSR-UHFFFAOYSA-N	1	1	360.527	2.306	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2	ZINC000597627427	673494185	/nfs/dbraw/zinc/49/41/85/673494185.db2.gz	ZRILGERXGLRTRG-OAHLLOKOSA-N	1	1	354.479	2.201	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=C(CC1CC1)c1ccccc1	ZINC000735970361	673510104	/nfs/dbraw/zinc/51/01/04/673510104.db2.gz	BQWXHVREADOQDS-UHFFFAOYSA-N	1	1	360.527	2.377	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(c3ccsc3C#N)CC1)C2	ZINC000597938485	673521399	/nfs/dbraw/zinc/52/13/99/673521399.db2.gz	DKIQICZPQIVQAR-AWEZNQCLSA-N	1	1	355.467	2.036	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)CC1	ZINC000598601872	673588378	/nfs/dbraw/zinc/58/83/78/673588378.db2.gz	PHGSSHSHTKMCGX-UHFFFAOYSA-N	1	1	353.444	2.140	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)CCOCC1	ZINC000599297622	673655434	/nfs/dbraw/zinc/65/54/34/673655434.db2.gz	NYZQYEJGNVZIBY-KBPBESRZSA-N	1	1	350.381	2.101	20	30		FEEDMO
C=CCSCCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000543745916	673667803	/nfs/dbraw/zinc/66/78/03/673667803.db2.gz	SSMGODNPNIDTPF-WMZOPIPTSA-N	1	1	363.527	2.494	20	30		FEEDMO
C=CCSCCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000543745916	673667805	/nfs/dbraw/zinc/66/78/05/673667805.db2.gz	SSMGODNPNIDTPF-WMZOPIPTSA-N	1	1	363.527	2.494	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CCOCC1	ZINC000599392950	673668732	/nfs/dbraw/zinc/66/87/32/673668732.db2.gz	CGMLUQWZGJAONH-WJFTUGDTSA-N	1	1	350.503	2.463	20	30		FEEDMO
C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599451104	673677145	/nfs/dbraw/zinc/67/71/45/673677145.db2.gz	ARFAPPXDXVNXOV-BZUAXINKSA-N	1	1	352.475	2.252	20	30		FEEDMO
C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599451104	673677147	/nfs/dbraw/zinc/67/71/47/673677147.db2.gz	ARFAPPXDXVNXOV-BZUAXINKSA-N	1	1	352.475	2.252	20	30		FEEDMO
C=CCNC(=O)NC(=O)CN[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1	ZINC000599628957	673699444	/nfs/dbraw/zinc/69/94/44/673699444.db2.gz	VZLOGFCZCYEVSR-CQSZACIVSA-N	1	1	373.284	2.198	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)Oc1ccc(Br)cc1	ZINC000742874921	673740445	/nfs/dbraw/zinc/74/04/45/673740445.db2.gz	BSYXRGJNTGMDFI-BBRMVZONSA-N	1	1	365.271	2.430	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)Oc1ccc(Br)cc1	ZINC000742874921	673740447	/nfs/dbraw/zinc/74/04/47/673740447.db2.gz	BSYXRGJNTGMDFI-BBRMVZONSA-N	1	1	365.271	2.430	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](CN2C(=O)C[C@@H]2c2ccc(Cl)cc2)CC1	ZINC000743356864	673756422	/nfs/dbraw/zinc/75/64/22/673756422.db2.gz	PWQDKYDLKAMKMG-QGZVFWFLSA-N	1	1	359.857	2.032	20	30		FEEDMO
N#CC1(CS(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCC1	ZINC000545365300	673763273	/nfs/dbraw/zinc/76/32/73/673763273.db2.gz	RXNCNVWQNVMLLO-RDJZCZTQSA-N	1	1	351.516	2.349	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C	ZINC000818603036	675227896	/nfs/dbraw/zinc/22/78/96/675227896.db2.gz	LYGROWNRLNKBLO-UHFFFAOYSA-N	1	1	368.231	2.351	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H]1C	ZINC000819429623	675289889	/nfs/dbraw/zinc/28/98/89/675289889.db2.gz	XGLWBVKOESOBSQ-GJZGRUSLSA-N	1	1	352.479	2.126	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819575546	675302134	/nfs/dbraw/zinc/30/21/34/675302134.db2.gz	GAVCXLFHTPBKEF-CABCVRRESA-N	1	1	352.479	2.126	20	30		FEEDMO
C=CCC1(C(=O)OCC2CC[NH+](CC(=O)OCC)CC2)CCOCC1	ZINC000820042287	675332637	/nfs/dbraw/zinc/33/26/37/675332637.db2.gz	CJQWXBKFCAOUSA-UHFFFAOYSA-N	1	1	353.459	2.178	20	30		FEEDMO
C=CC1(CC(=O)N2CC[N@H+](C)C[C@@H]2CC)CN(C(=O)OC(C)(C)C)C1	ZINC000820728892	675382500	/nfs/dbraw/zinc/38/25/00/675382500.db2.gz	PRPCAYKKSWSOIU-HNNXBMFYSA-N	1	1	351.491	2.352	20	30		FEEDMO
C=CCn1cc(CNC(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)nn1	ZINC000659325674	678166454	/nfs/dbraw/zinc/16/64/54/678166454.db2.gz	QTHBNVZXDZUORI-CQSZACIVSA-N	1	1	354.241	2.348	20	30		FEEDMO
C=C[C@@H](O)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC000616326448	676246105	/nfs/dbraw/zinc/24/61/05/676246105.db2.gz	FDPKMADUSRRSPI-OAHLLOKOSA-N	1	1	353.260	2.077	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1CC#N)c1ccc(F)cc1	ZINC000619572810	676385635	/nfs/dbraw/zinc/38/56/35/676385635.db2.gz	VDFWQKHVCXUYLG-QGZVFWFLSA-N	1	1	361.442	2.473	20	30		FEEDMO
C=CCC1([NH2+]CC(=O)NC[C@H]2CN(CC(C)C)CCO2)CCCCC1	ZINC000625937775	676679008	/nfs/dbraw/zinc/67/90/08/676679008.db2.gz	SZYVEMHZWCLDNP-SFHVURJKSA-N	1	1	351.535	2.328	20	30		FEEDMO
CC#CC[C@@H](CO)[NH2+]Cc1c(Br)cncc1Br	ZINC000641767256	677215254	/nfs/dbraw/zinc/21/52/54/677215254.db2.gz	HXPNYCAZDZRUPD-VIFPVBQESA-N	1	1	362.065	2.471	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+](Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1	ZINC000649745840	677336684	/nfs/dbraw/zinc/33/66/84/677336684.db2.gz	AUTSCMNRCZCZOT-QGZVFWFLSA-N	1	1	352.500	2.242	20	30		FEEDMO
C=CCCCS(=O)(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21	ZINC000651840927	677455798	/nfs/dbraw/zinc/45/57/98/677455798.db2.gz	BEYKDVMIYWFHCP-MOPGFXCFSA-N	1	1	364.511	2.258	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1	ZINC000839609067	680765894	/nfs/dbraw/zinc/76/58/94/680765894.db2.gz	CDKOZGLQVGCWGV-OAGGEKHMSA-N	1	1	351.491	2.256	20	30		FEEDMO
C=CC[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](C(COC)COC)CC1	ZINC000661421359	678482579	/nfs/dbraw/zinc/48/25/79/678482579.db2.gz	UOENBCYRRGMTMS-FUHWJXTLSA-N	1	1	353.507	2.110	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000661597641	678509185	/nfs/dbraw/zinc/50/91/85/678509185.db2.gz	MBZWBZZHMUGTNA-ZOBUZTSGSA-N	1	1	361.511	2.252	20	30		FEEDMO
C[N@@H+](CC(=O)NC1CCN(c2ccccc2C#N)CC1)[C@H]1CCSC1	ZINC000764061483	680799304	/nfs/dbraw/zinc/79/93/04/680799304.db2.gz	GVYXSAFUVSHRMG-KRWDZBQOSA-N	1	1	358.511	2.081	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCS[C@H](CC)C1	ZINC000669033913	679216191	/nfs/dbraw/zinc/21/61/91/679216191.db2.gz	CMDVLIAOIDCSEU-OAGGEKHMSA-N	1	1	363.531	2.332	20	30		FEEDMO
C=CCn1c(Cc2ccsc2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000669062662	679218370	/nfs/dbraw/zinc/21/83/70/679218370.db2.gz	NVJRUKIIAUDPJA-INIZCTEOSA-N	1	1	359.499	2.027	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(SC)cc2)CC1	ZINC000747818027	679904852	/nfs/dbraw/zinc/90/48/52/679904852.db2.gz	FEFJWYKVSOWRBI-CQSZACIVSA-N	1	1	359.495	2.197	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(SC)c2)CC1	ZINC000747818367	679905299	/nfs/dbraw/zinc/90/52/99/679905299.db2.gz	NEBSYUCSXJYWER-CQSZACIVSA-N	1	1	359.495	2.197	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[N@H+](CCc2ccns2)CC1(C)C	ZINC000974589377	679960741	/nfs/dbraw/zinc/96/07/41/679960741.db2.gz	UTAQHXOGPVLEFD-IKGGRYGDSA-N	1	1	363.527	2.493	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCOCC2)C1	ZINC001008806998	679961457	/nfs/dbraw/zinc/96/14/57/679961457.db2.gz	BRHMVAGIQKNMPM-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](CCc2scnc2C)CC1(C)C	ZINC000975055280	680009221	/nfs/dbraw/zinc/00/92/21/680009221.db2.gz	KGGOAUQLRDTNMU-VYDXJSESSA-N	1	1	363.527	2.412	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCC2CCOCC2)C1	ZINC001014466505	680036949	/nfs/dbraw/zinc/03/69/49/680036949.db2.gz	CMTQFNASNSLDSK-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1snnc1C)CC2	ZINC000992243401	680097792	/nfs/dbraw/zinc/09/77/92/680097792.db2.gz	VOSBOKGKVMARNV-KKBFJZEXSA-N	1	1	362.499	2.051	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1snnc1C)CC2	ZINC000992243401	680097795	/nfs/dbraw/zinc/09/77/95/680097795.db2.gz	VOSBOKGKVMARNV-KKBFJZEXSA-N	1	1	362.499	2.051	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnns1	ZINC001021407833	680155074	/nfs/dbraw/zinc/15/50/74/680155074.db2.gz	WDPKYMGRMCRNSE-XKNSCDJCSA-N	1	1	362.499	2.131	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnns1	ZINC001021407833	680155076	/nfs/dbraw/zinc/15/50/76/680155076.db2.gz	WDPKYMGRMCRNSE-XKNSCDJCSA-N	1	1	362.499	2.131	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=C)Br)C[C@H]21	ZINC000978167040	680170401	/nfs/dbraw/zinc/17/04/01/680170401.db2.gz	MXGCCQKSFVWNSU-SUJAAXHWSA-N	1	1	369.303	2.170	20	30		FEEDMO
C[C@@H]1CCC(=NNC(=S)NCCC[NH+]2CCOCC2)c2ccccc21	ZINC000752721414	680255989	/nfs/dbraw/zinc/25/59/89/680255989.db2.gz	FLGPOEXRCZDHFQ-OAHLLOKOSA-N	1	1	360.527	2.474	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2snnc2C)C1	ZINC001023375634	680257485	/nfs/dbraw/zinc/25/74/85/680257485.db2.gz	PUKRJLNYFUGJTG-XHSDSOJGSA-N	1	1	364.515	2.156	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2snnc2C)C1	ZINC001023375634	680257491	/nfs/dbraw/zinc/25/74/91/680257491.db2.gz	PUKRJLNYFUGJTG-XHSDSOJGSA-N	1	1	364.515	2.156	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCOCC2)C1	ZINC001023375029	680257704	/nfs/dbraw/zinc/25/77/04/680257704.db2.gz	FQZKECOQRXDGFC-OTWHNJEPSA-N	1	1	350.503	2.222	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](CCOC2CCC2)CC1	ZINC000982135098	680270564	/nfs/dbraw/zinc/27/05/64/680270564.db2.gz	QRNSYKHIGNSGPC-OALUTQOASA-N	1	1	350.503	2.461	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](CCC[C@H]2CCOC2)CC1	ZINC000982173678	680272546	/nfs/dbraw/zinc/27/25/46/680272546.db2.gz	PBIVWCBIVAPPOT-FHWLQOOXSA-N	1	1	350.503	2.319	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@H](CC)OC)C[C@]2(C)C1	ZINC000982574981	680281281	/nfs/dbraw/zinc/28/12/81/680281281.db2.gz	QRKYYLRMXRAEHI-SQIBXOBRSA-N	1	1	350.503	2.173	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]21	ZINC001026101819	680342633	/nfs/dbraw/zinc/34/26/33/680342633.db2.gz	JZWQLRTUIQFSBI-DZTUFKMZSA-N	1	1	354.441	2.449	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[C@H]2C(=O)N(C)C)CC1	ZINC000998110146	680375819	/nfs/dbraw/zinc/37/58/19/680375819.db2.gz	MHNLTJNSORRRTN-XHSDSOJGSA-N	1	1	355.910	2.166	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cnsn2)CC1	ZINC001029156873	680387745	/nfs/dbraw/zinc/38/77/45/680387745.db2.gz	QMTSKSVDNRKYKT-JQFCIGGWSA-N	1	1	364.515	2.236	20	30		FEEDMO
CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC([NH2+]Cc2ccc(C#N)s2)C1	ZINC000998937460	680392243	/nfs/dbraw/zinc/39/22/43/680392243.db2.gz	VKTFACWAWSQDMH-DCNYZXSGSA-N	1	1	355.467	2.226	20	30		FEEDMO
CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1	ZINC001033283695	680421725	/nfs/dbraw/zinc/42/17/25/680421725.db2.gz	VBPCMKIWBSMVLB-XTENKEOPSA-N	1	1	357.479	2.076	20	30		FEEDMO
CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC001033283695	680421727	/nfs/dbraw/zinc/42/17/27/680421727.db2.gz	VBPCMKIWBSMVLB-XTENKEOPSA-N	1	1	357.479	2.076	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(CCC)s2)C1	ZINC001000246826	680425326	/nfs/dbraw/zinc/42/53/26/680425326.db2.gz	PXUZKGWYECYSDN-ZNMIVQPWSA-N	1	1	364.515	2.162	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCC2CCOCC2)C1	ZINC001034408651	680435546	/nfs/dbraw/zinc/43/55/46/680435546.db2.gz	MGCMKVCSDSTYBZ-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1	ZINC000836258578	680442281	/nfs/dbraw/zinc/44/22/81/680442281.db2.gz	RHRFFPNMRXXCGL-MRXNPFEDSA-N	1	1	362.905	2.421	20	30		FEEDMO
C=C(Br)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@]13C[C@H]1COC3)CC2	ZINC001035188278	680443524	/nfs/dbraw/zinc/44/35/24/680443524.db2.gz	YBEADTMQPVGBNG-YOEHRIQHSA-N	1	1	369.303	2.246	20	30		FEEDMO
C=C(Br)C[N@H+]1CCC2(C1)CCN(C(=O)[C@]13C[C@H]1COC3)CC2	ZINC001035188278	680443525	/nfs/dbraw/zinc/44/35/25/680443525.db2.gz	YBEADTMQPVGBNG-YOEHRIQHSA-N	1	1	369.303	2.246	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(F)cc1Br	ZINC000836304652	680448008	/nfs/dbraw/zinc/44/80/08/680448008.db2.gz	PGHQCWYKNYUYEK-UHFFFAOYSA-N	1	1	356.239	2.343	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CC2CCCC2)CCO1	ZINC001035539963	680449985	/nfs/dbraw/zinc/44/99/85/680449985.db2.gz	SCZUZUDGQGHDFW-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)CCCNC(=O)c1ccc(Cl)cc1	ZINC000756541688	680483937	/nfs/dbraw/zinc/48/39/37/680483937.db2.gz	DBWGJFPJGKLOHH-KRWDZBQOSA-N	1	1	362.857	2.491	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC000756545463	680484350	/nfs/dbraw/zinc/48/43/50/680484350.db2.gz	YBUVVCCLMVVTGK-HUUCEWRRSA-N	1	1	360.841	2.334	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCc3ccns3)C2)C1	ZINC001041695655	680508562	/nfs/dbraw/zinc/50/85/62/680508562.db2.gz	DLDGNWIXWIAOMM-ZIFCJYIRSA-N	1	1	361.511	2.201	20	30		FEEDMO
O=C(NC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1)[C@]12C[C@H]1COC2	ZINC001002869968	680512663	/nfs/dbraw/zinc/51/26/63/680512663.db2.gz	ZWARDUZMPRUZOW-JXFKEZNVSA-N	1	1	358.869	2.309	20	30		FEEDMO
C[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C	ZINC001042511170	680533287	/nfs/dbraw/zinc/53/32/87/680533287.db2.gz	WLTGYZOZTKPAKU-DVOMOZLQSA-N	1	1	361.877	2.032	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2C#N)C1	ZINC001043219912	680567066	/nfs/dbraw/zinc/56/70/66/680567066.db2.gz	WTEXSWWCTLRZNZ-DAXOMENPSA-N	1	1	361.515	2.456	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=Cc1cc2ccccc2s1	ZINC000758368546	680572885	/nfs/dbraw/zinc/57/28/85/680572885.db2.gz	XXFSHRNQKAVOCE-UHFFFAOYSA-N	1	1	362.524	2.422	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1Nc1nc(Cl)c(C#N)s1	ZINC001043512368	680584959	/nfs/dbraw/zinc/58/49/59/680584959.db2.gz	NQGORRKZEQPGAK-IJLUTSLNSA-N	1	1	367.906	2.411	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1Nc1snc(Cl)c1C#N	ZINC001043585004	680589719	/nfs/dbraw/zinc/58/97/19/680589719.db2.gz	HUOWJWRGVGTHPK-ZWNOBZJWSA-N	1	1	367.906	2.411	20	30		FEEDMO
C=C(Br)CN1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1	ZINC001045445011	680630293	/nfs/dbraw/zinc/63/02/93/680630293.db2.gz	OOMABBBHLCCPCI-ZIAGYGMSSA-N	1	1	358.324	2.206	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001007356847	680636343	/nfs/dbraw/zinc/63/63/43/680636343.db2.gz	KCWQIEWCAFKCNS-ZACQAIPSSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1	ZINC001007356847	680636346	/nfs/dbraw/zinc/63/63/46/680636346.db2.gz	KCWQIEWCAFKCNS-ZACQAIPSSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1	ZINC001007478849	680643859	/nfs/dbraw/zinc/64/38/59/680643859.db2.gz	CUWVIQUDIKFARG-VCBZYWHSSA-N	1	1	367.921	2.214	20	30		FEEDMO
C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001046956958	680654726	/nfs/dbraw/zinc/65/47/26/680654726.db2.gz	BVLRCGIEEXHWBE-JHMPBIJASA-N	1	1	354.441	2.449	20	30		FEEDMO
FC(F)(F)Oc1ccc(C=NNC2=[NH+]CCN2)cc1Br	ZINC000841662281	680904989	/nfs/dbraw/zinc/90/49/89/680904989.db2.gz	WAOLOPVTCKKCFM-UHFFFAOYSA-N	1	1	351.126	2.230	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2ccc(OC)cc2OC(F)F)CC1	ZINC000769020072	680968151	/nfs/dbraw/zinc/96/81/51/680968151.db2.gz	BYWXUQBBNAARGG-UHFFFAOYSA-N	1	1	352.381	2.258	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C	ZINC000771446495	681056157	/nfs/dbraw/zinc/05/61/57/681056157.db2.gz	MUPVRHRQGFUHNT-OAHLLOKOSA-N	1	1	352.479	2.080	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1c1ncc(C#N)cc1Cl	ZINC001051027576	681060843	/nfs/dbraw/zinc/06/08/43/681060843.db2.gz	XDRKEICSXHRQIL-ZENOOKHLSA-N	1	1	361.877	2.174	20	30		FEEDMO
C=C[C@H](C)ONC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000845627360	681142002	/nfs/dbraw/zinc/14/20/02/681142002.db2.gz	DDXJTOZSYXEAOR-AWEZNQCLSA-N	1	1	352.866	2.267	20	30		FEEDMO
Cc1cc(N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2C(F)(F)F)nc(C)[nH+]1	ZINC001055612576	681145421	/nfs/dbraw/zinc/14/54/21/681145421.db2.gz	LHQZNZGCZZCPAC-ZIAGYGMSSA-N	1	1	352.360	2.308	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CCN(c3nc(Cl)c(C#N)s3)CC2)CC[N@H+]1C	ZINC001056054660	681152032	/nfs/dbraw/zinc/15/20/32/681152032.db2.gz	JIJXJQRKRWLUOT-NWDGAFQWSA-N	1	1	367.906	2.047	20	30		FEEDMO
CC[N@@H+](CCC(N)=O)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000932480848	681252937	/nfs/dbraw/zinc/25/29/37/681252937.db2.gz	MNYGEXBRVMOLBY-LBPRGKRZSA-N	1	1	362.499	2.270	20	30		FEEDMO
C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccnn3C)CC[C@@H]2C1	ZINC000946694401	681253584	/nfs/dbraw/zinc/25/35/84/681253584.db2.gz	VJUUVHXWLRSDCV-YYIAUSFCSA-N	1	1	362.905	2.447	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H](CC)OC)C[C@H]2CC1	ZINC000946787911	681261094	/nfs/dbraw/zinc/26/10/94/681261094.db2.gz	GJSWMWFKUGUVGL-APAFKAMOSA-N	1	1	350.503	2.173	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCSCC2)[C@@H](C)C1	ZINC000932945638	681332943	/nfs/dbraw/zinc/33/29/43/681332943.db2.gz	DMPNNPCNJYSBKF-JKSUJKDBSA-N	1	1	353.532	2.277	20	30		FEEDMO
C#C[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCO1	ZINC000775799579	681336101	/nfs/dbraw/zinc/33/61/01/681336101.db2.gz	OJGYDDYALJQBKQ-RIEGTJTDSA-N	1	1	351.790	2.346	20	30		FEEDMO
C[N@H+]1CC[C@@H](CCOC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1	ZINC000847826425	681437898	/nfs/dbraw/zinc/43/78/98/681437898.db2.gz	GYADJPALOKGYBV-HNNXBMFYSA-N	1	1	364.467	2.263	20	30		FEEDMO
C=C(C)[C@H](CO)[N@H+]1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000933860862	681475320	/nfs/dbraw/zinc/47/53/20/681475320.db2.gz	MXLAWLOSWKPSKM-CVEARBPZSA-N	1	1	354.491	2.414	20	30		FEEDMO
N#Cc1ccc(Br)c(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1	ZINC000934264933	681539005	/nfs/dbraw/zinc/53/90/05/681539005.db2.gz	JSHIAZMMAJPFAX-SJORKVTESA-N	1	1	364.287	2.352	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2cnns2)CC1	ZINC000948386384	681577504	/nfs/dbraw/zinc/57/75/04/681577504.db2.gz	WCCGGPDGFVOFQO-OIISXLGYSA-N	1	1	364.515	2.332	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2cnns2)CC1	ZINC000948386384	681577509	/nfs/dbraw/zinc/57/75/09/681577509.db2.gz	WCCGGPDGFVOFQO-OIISXLGYSA-N	1	1	364.515	2.332	20	30		FEEDMO
CN(C(=O)[C@]12C[C@H]1COC2)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1	ZINC000948392179	681578120	/nfs/dbraw/zinc/57/81/20/681578120.db2.gz	BNCUPFFTFIBPDC-KHYOSLBOSA-N	1	1	359.495	2.469	20	30		FEEDMO
C#CCOc1cccc(Cl)c1CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000778167212	681582233	/nfs/dbraw/zinc/58/22/33/681582233.db2.gz	BDXPDTFTFRXZRS-OAHLLOKOSA-N	1	1	363.889	2.029	20	30		FEEDMO
C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000948547305	681588900	/nfs/dbraw/zinc/58/89/00/681588900.db2.gz	WLHZBLYTFWDSFD-ZNMIVQPWSA-N	1	1	364.408	2.222	20	30		FEEDMO
C#CC[NH2+]CC(=O)N(CCC)CC(=O)Nc1ccc(Cl)cc1Cl	ZINC000779323255	681704143	/nfs/dbraw/zinc/70/41/43/681704143.db2.gz	IGGJZSWOPQMWTJ-UHFFFAOYSA-N	1	1	356.253	2.393	20	30		FEEDMO
C=CC1(CC(=O)N(C)CC[N@@H+](C)C2CC2)CN(C(=O)OC(C)(C)C)C1	ZINC000935439215	681750504	/nfs/dbraw/zinc/75/05/04/681750504.db2.gz	NMEXQVWBCXLGSW-UHFFFAOYSA-N	1	1	351.491	2.352	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)C2(COCc3ccccc3)CC2)CC1	ZINC000914071224	685493210	/nfs/dbraw/zinc/49/32/10/685493210.db2.gz	JSKGDSDDGPKTMU-UHFFFAOYSA-N	1	1	364.511	2.306	20	30		FEEDMO
C#CCOc1ccc(Br)cc1C[NH2+]CCS(=O)(=O)CC=C	ZINC000782968381	682099241	/nfs/dbraw/zinc/09/92/41/682099241.db2.gz	KSVOEVKZLRRIDA-UHFFFAOYSA-N	1	1	372.284	2.152	20	30		FEEDMO
C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)CC2)C1	ZINC000941443985	682125583	/nfs/dbraw/zinc/12/55/83/682125583.db2.gz	YPXAMWNZDPBKMY-HZPDHXFCSA-N	1	1	359.436	2.370	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)C(C)C	ZINC000917167092	685530231	/nfs/dbraw/zinc/53/02/31/685530231.db2.gz	SIOCIYFLQWRTOG-UHFFFAOYSA-N	1	1	353.488	2.080	20	30		FEEDMO
C=CC[N@@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)C(C)C	ZINC000917167092	685530232	/nfs/dbraw/zinc/53/02/32/685530232.db2.gz	SIOCIYFLQWRTOG-UHFFFAOYSA-N	1	1	353.488	2.080	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCOCC1	ZINC000969038202	682254876	/nfs/dbraw/zinc/25/48/76/682254876.db2.gz	ZIEJZLAGGVXMAU-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
N#C[C@H]1CC[C@@H]([NH+]2CCC(n3nncc3I)CC2)C1	ZINC000852532660	682296873	/nfs/dbraw/zinc/29/68/73/682296873.db2.gz	NXYDQJZLLPSSFO-CMPLNLGQSA-N	1	1	371.226	2.212	20	30		FEEDMO
C=C(Br)C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1	ZINC000788960560	682570095	/nfs/dbraw/zinc/57/00/95/682570095.db2.gz	RDMXHYQPHPBCNH-UHFFFAOYSA-N	1	1	359.176	2.145	20	30		FEEDMO
C=C(CO)C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000791373886	682738761	/nfs/dbraw/zinc/73/87/61/682738761.db2.gz	JJDWEYSZASLRGO-INIZCTEOSA-N	1	1	356.388	2.448	20	30		FEEDMO
C=CCc1cc(C[NH+]2CCC(CS(C)(=O)=O)CC2)c(O)c(OC)c1	ZINC000793728905	682906494	/nfs/dbraw/zinc/90/64/94/682906494.db2.gz	VERPQOMLMXIRKF-UHFFFAOYSA-N	1	1	353.484	2.386	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000926245387	683097011	/nfs/dbraw/zinc/09/70/11/683097011.db2.gz	ULWSQGZZCPOFQM-GNVJSZRZSA-N	1	1	352.519	2.201	20	30		FEEDMO
C=C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000796050199	683122977	/nfs/dbraw/zinc/12/29/77/683122977.db2.gz	PGRADYSYXNLQCZ-INIZCTEOSA-N	1	1	351.491	2.496	20	30		FEEDMO
COC(=O)[C@]12C[N@@H+](Cc3cc(Cl)ccc3OCC#N)C[C@H]1COCC2	ZINC000796523572	683167983	/nfs/dbraw/zinc/16/79/83/683167983.db2.gz	PWVWCSGJHMZXAE-KBXCAEBGSA-N	1	1	364.829	2.254	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000860095766	683201319	/nfs/dbraw/zinc/20/13/19/683201319.db2.gz	FJBWYILLBWSPDW-LBTNJELSSA-N	1	1	354.495	2.274	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000860095766	683201320	/nfs/dbraw/zinc/20/13/20/683201320.db2.gz	FJBWYILLBWSPDW-LBTNJELSSA-N	1	1	354.495	2.274	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21	ZINC000860529685	683256773	/nfs/dbraw/zinc/25/67/73/683256773.db2.gz	KEFKOAPDDUMOQY-STQMWFEESA-N	1	1	355.360	2.420	20	30		FEEDMO
N#CCCNC(=O)C[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1	ZINC000920760964	683366321	/nfs/dbraw/zinc/36/63/21/683366321.db2.gz	JBFJLEGLRCELIW-OAHLLOKOSA-N	1	1	350.260	2.486	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000928103243	683394713	/nfs/dbraw/zinc/39/47/13/683394713.db2.gz	LOBVAPOTFWPEDM-SJORKVTESA-N	1	1	359.495	2.412	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12	ZINC000928103243	683394718	/nfs/dbraw/zinc/39/47/18/683394718.db2.gz	LOBVAPOTFWPEDM-SJORKVTESA-N	1	1	359.495	2.412	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=C1CCc2c1cccc2Cl	ZINC000921255412	683411548	/nfs/dbraw/zinc/41/15/48/683411548.db2.gz	QUIWHEZPXYNKNT-UHFFFAOYSA-N	1	1	366.918	2.177	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1=O	ZINC000799120032	683424690	/nfs/dbraw/zinc/42/46/90/683424690.db2.gz	RZDVEGCROYFKPH-HOTGVXAUSA-N	1	1	351.491	2.352	20	30		FEEDMO
CC(=NNCCC[NH+]1CCOCC1)c1ccc(Br)cc1O	ZINC000799490257	683460428	/nfs/dbraw/zinc/46/04/28/683460428.db2.gz	WSAGNBYEWYZVSB-UHFFFAOYSA-N	1	1	356.264	2.191	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)nn1	ZINC000862397911	683584564	/nfs/dbraw/zinc/58/45/64/683584564.db2.gz	PZFQYXOFEPHTES-ZDUSSCGKSA-N	1	1	357.405	2.198	20	30		FEEDMO
C[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000929629828	683620636	/nfs/dbraw/zinc/62/06/36/683620636.db2.gz	ULKBVXHQWFUXLX-VXNVDRBHSA-N	1	1	372.256	2.030	20	30		FEEDMO
C[N@@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000929629828	683620643	/nfs/dbraw/zinc/62/06/43/683620643.db2.gz	ULKBVXHQWFUXLX-VXNVDRBHSA-N	1	1	372.256	2.030	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCCC2=NN[C@@H]2CCCS(=O)(=O)C2)C1	ZINC000863133238	683680079	/nfs/dbraw/zinc/68/00/79/683680079.db2.gz	ICEDSCMKORCLDE-HPFXQQBRSA-N	1	1	355.548	2.430	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCCCC2=NN[C@@H]2CCCS(=O)(=O)C2)C1	ZINC000863133238	683680084	/nfs/dbraw/zinc/68/00/84/683680084.db2.gz	ICEDSCMKORCLDE-HPFXQQBRSA-N	1	1	355.548	2.430	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O	ZINC000930549920	683750243	/nfs/dbraw/zinc/75/02/43/683750243.db2.gz	WFBWMXKVRDBENT-CWYPUQQXSA-N	1	1	365.499	2.354	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC(c2nc3c(s2)CCC3)CC1	ZINC000922628583	683758204	/nfs/dbraw/zinc/75/82/04/683758204.db2.gz	FQMSSARSPFIZOB-UHFFFAOYSA-N	1	1	360.527	2.476	20	30		FEEDMO
C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@](C)(O)C(F)(F)C(F)(F)F	ZINC000930844891	683791908	/nfs/dbraw/zinc/79/19/08/683791908.db2.gz	HNJXYXPEHBRNGE-STQMWFEESA-N	1	1	352.303	2.472	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+](C)C1	ZINC000865608561	684004676	/nfs/dbraw/zinc/00/46/76/684004676.db2.gz	KXMICNAUXVQVTH-UONOGXRCSA-N	1	1	359.898	2.480	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(c2cc(C(F)(F)F)cc(C#N)n2)[C@H](C)C1	ZINC000865655434	684010973	/nfs/dbraw/zinc/01/09/73/684010973.db2.gz	BBGWPKVFXBMYAP-LLVKDONJSA-N	1	1	356.348	2.046	20	30		FEEDMO
C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cccc(C#N)c1O	ZINC000866380705	684096057	/nfs/dbraw/zinc/09/60/57/684096057.db2.gz	JAWLOGRFJOKJKS-TZMCWYRMSA-N	1	1	358.419	2.149	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)C1	ZINC000923559459	684305899	/nfs/dbraw/zinc/30/58/99/684305899.db2.gz	FGUFHDSAFOQHQG-LLVKDONJSA-N	1	1	362.783	2.078	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)C1	ZINC000923559459	684305904	/nfs/dbraw/zinc/30/59/04/684305904.db2.gz	FGUFHDSAFOQHQG-LLVKDONJSA-N	1	1	362.783	2.078	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)C1	ZINC000931578779	684306621	/nfs/dbraw/zinc/30/66/21/684306621.db2.gz	GLTASVBMEZHWTA-VXGBXAGGSA-N	1	1	360.405	2.452	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)C1	ZINC000931578779	684306625	/nfs/dbraw/zinc/30/66/25/684306625.db2.gz	GLTASVBMEZHWTA-VXGBXAGGSA-N	1	1	360.405	2.452	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(Br)cnc2C)C1	ZINC000931643103	684318799	/nfs/dbraw/zinc/31/87/99/684318799.db2.gz	IUGAEGZCIILXGR-ZDUSSCGKSA-N	1	1	351.248	2.372	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(Br)cnc2C)C1	ZINC000931643103	684318802	/nfs/dbraw/zinc/31/88/02/684318802.db2.gz	IUGAEGZCIILXGR-ZDUSSCGKSA-N	1	1	351.248	2.372	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1	ZINC000868582120	684513939	/nfs/dbraw/zinc/51/39/39/684513939.db2.gz	SKPFPVPWSYQIHQ-WKILWMFISA-N	1	1	351.491	2.141	20	30		FEEDMO
CSC1CC[NH+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1	ZINC000872628412	684991702	/nfs/dbraw/zinc/99/17/02/684991702.db2.gz	XZNPCKNYVPPOAO-GOSISDBHSA-N	1	1	358.467	2.110	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H]2[C@H](CC[N@H+]2C)C1	ZINC000879576984	686861989	/nfs/dbraw/zinc/86/19/89/686861989.db2.gz	ZFHWMNLAXOVHKF-IOASZLSFSA-N	1	1	358.511	2.461	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](c3nc(C)c(C(=O)OCC)s3)C2)C1=O	ZINC000880326084	687035852	/nfs/dbraw/zinc/03/58/52/687035852.db2.gz	ZGSFGIGHTPHSHI-ZIAGYGMSSA-N	1	1	363.483	2.204	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CC[C@@H](c3nc(C)c(C(=O)OCC)s3)C2)C1=O	ZINC000880326084	687035856	/nfs/dbraw/zinc/03/58/56/687035856.db2.gz	ZGSFGIGHTPHSHI-ZIAGYGMSSA-N	1	1	363.483	2.204	20	30		FEEDMO
CC1(C)[C@H](NC(=O)CSc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000880502442	687055156	/nfs/dbraw/zinc/05/51/56/687055156.db2.gz	QXTCMCSQZXXIDU-SJORKVTESA-N	1	1	359.495	2.266	20	30		FEEDMO
C=CCCS(=O)(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2	ZINC000882789949	687491136	/nfs/dbraw/zinc/49/11/36/687491136.db2.gz	JLVXJEXEBKBKDE-MJGOQNOKSA-N	1	1	364.511	2.258	20	30		FEEDMO
C=CCCS(=O)(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2	ZINC000882789949	687491141	/nfs/dbraw/zinc/49/11/41/687491141.db2.gz	JLVXJEXEBKBKDE-MJGOQNOKSA-N	1	1	364.511	2.258	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)NCCc2cc(C(F)(F)F)ccn2)C1	ZINC000884375445	687858563	/nfs/dbraw/zinc/85/85/63/687858563.db2.gz	ZDOMASQKBGHNCS-OAHLLOKOSA-N	1	1	354.376	2.040	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2cc(C(F)(F)F)ccn2)C1	ZINC000884375445	687858572	/nfs/dbraw/zinc/85/85/72/687858572.db2.gz	ZDOMASQKBGHNCS-OAHLLOKOSA-N	1	1	354.376	2.040	20	30		FEEDMO
C#CC[N@H+](C[C@H](O)COC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426229	688253060	/nfs/dbraw/zinc/25/30/60/688253060.db2.gz	OAJLUNVKTXTPGI-KRWDZBQOSA-N	1	1	354.491	2.107	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@H](c4nccs4)C3)C2=O)cc1	ZINC000887303640	688403062	/nfs/dbraw/zinc/40/30/62/688403062.db2.gz	YZBSFSIWICPMKF-HIFRSBDPSA-N	1	1	352.419	2.136	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@@H](c4nccs4)C3)C2=O)cc1	ZINC000887303640	688403064	/nfs/dbraw/zinc/40/30/64/688403064.db2.gz	YZBSFSIWICPMKF-HIFRSBDPSA-N	1	1	352.419	2.136	20	30		FEEDMO
CN(C)c1[nH+]cnc2c1cc(C(=O)N(C)Cc1cc(C#N)cs1)n2C	ZINC000887970295	688527863	/nfs/dbraw/zinc/52/78/63/688527863.db2.gz	XJVZDVSHDXCHII-UHFFFAOYSA-N	1	1	354.439	2.240	20	30		FEEDMO
N#Cc1sc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1Cl	ZINC000888414169	688607677	/nfs/dbraw/zinc/60/76/77/688607677.db2.gz	OUZYTFYAPBOLPO-MNOVXSKESA-N	1	1	369.878	2.433	20	30		FEEDMO
C#CCSCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000889906555	688847940	/nfs/dbraw/zinc/84/79/40/688847940.db2.gz	GIRUTZHBTKMCDS-MSOLQXFVSA-N	1	1	351.560	2.148	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)C1	ZINC000890368442	688911317	/nfs/dbraw/zinc/91/13/17/688911317.db2.gz	IDVAWNGYYWDHKL-YESZJQIVSA-N	1	1	361.511	2.443	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)C1	ZINC000890368442	688911319	/nfs/dbraw/zinc/91/13/19/688911319.db2.gz	IDVAWNGYYWDHKL-YESZJQIVSA-N	1	1	361.511	2.443	20	30		FEEDMO
C[N@@H+]1C[C@H]2CN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@H]2C1	ZINC000891718226	689097094	/nfs/dbraw/zinc/09/70/94/689097094.db2.gz	PUUHPILCECLXMT-GASCZTMLSA-N	1	1	351.372	2.260	20	30		FEEDMO
C#CCSCC(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2	ZINC000893921133	689429790	/nfs/dbraw/zinc/42/97/90/689429790.db2.gz	ICERLCPNGMWAQF-YLJYHZDGSA-N	1	1	358.507	2.245	20	30		FEEDMO
C#CCSCC(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2	ZINC000893921133	689429791	/nfs/dbraw/zinc/42/97/91/689429791.db2.gz	ICERLCPNGMWAQF-YLJYHZDGSA-N	1	1	358.507	2.245	20	30		FEEDMO
C#C[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccc(Br)cc1	ZINC000895687567	689754965	/nfs/dbraw/zinc/75/49/65/689754965.db2.gz	WCUIAPSUFBGVQG-IJEWVQPXSA-N	1	1	362.271	2.326	20	30		FEEDMO
CC1(C)[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CS1(=O)=O	ZINC000895980171	689801806	/nfs/dbraw/zinc/80/18/06/689801806.db2.gz	QQQDRUDEMDBMJJ-INIZCTEOSA-N	1	1	358.467	2.129	20	30		FEEDMO
N#C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1c(Cl)cccc1Cl	ZINC000900609329	690538298	/nfs/dbraw/zinc/53/82/98/690538298.db2.gz	XWQPWNGDKGCSFK-RISCZKNCSA-N	1	1	354.237	2.395	20	30		FEEDMO
C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)C1	ZINC000900645416	690542807	/nfs/dbraw/zinc/54/28/07/690542807.db2.gz	YEUXKFOUYGSDDW-HOCLYGCPSA-N	1	1	355.360	2.233	20	30		FEEDMO
Cn1nc(C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)cc1C(F)(F)F	ZINC000905675424	691159849	/nfs/dbraw/zinc/15/98/49/691159849.db2.gz	PAKLEPYTAZVDLR-MRVPVSSYSA-N	1	1	355.229	2.477	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3c(C#N)sc4ccccc43)C2)C1	ZINC000907199398	691421098	/nfs/dbraw/zinc/42/10/98/691421098.db2.gz	XVVGLODKLRIYEP-KRWDZBQOSA-N	1	1	361.492	2.489	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)cnc1C#N)C2	ZINC001164815341	720087203	/nfs/dbraw/zinc/08/72/03/720087203.db2.gz	YIHUUWGYOOYXIF-KBXCAEBGSA-N	1	1	361.877	2.186	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc(C4(C#N)CCC4)cn3)CC[C@@H]2C1	ZINC001164862200	720854676	/nfs/dbraw/zinc/85/46/76/720854676.db2.gz	ZKIMBZPIMYIIHY-MJGOQNOKSA-N	1	1	370.497	2.200	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(C)c(C#N)cc3Cl)CC[C@H]2C1	ZINC001164852923	720889465	/nfs/dbraw/zinc/88/94/65/720889465.db2.gz	AJPXSSOZMAHSMO-WMLDXEAASA-N	1	1	364.877	2.089	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(C#N)cc(Cl)n4)C[C@H]3C2)cn1	ZINC001164766561	721069129	/nfs/dbraw/zinc/06/91/29/721069129.db2.gz	KUGYLIRIJBNNLI-JKSUJKDBSA-N	1	1	356.861	2.298	20	30		FEEDMO
N#Cc1c[nH]c2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ccc12	ZINC001164866369	721098872	/nfs/dbraw/zinc/09/88/72/721098872.db2.gz	STAWTYBLMWUONA-ZWKOTPCHSA-N	1	1	374.448	2.309	20	30		FEEDMO
Cc1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(C=NO)c1	ZINC001164877039	721124208	/nfs/dbraw/zinc/12/42/08/721124208.db2.gz	OFEXVUDMUYUOPJ-RBUKOAKNSA-N	1	1	367.453	2.073	20	30		FEEDMO
N#Cc1cc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ccc2[nH]1	ZINC001164880678	721134371	/nfs/dbraw/zinc/13/43/71/721134371.db2.gz	WZGMFVVAESZNMB-MSOLQXFVSA-N	1	1	374.448	2.309	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5[nH]c(C#N)cc5n4)C[C@H]3C2)cn1	ZINC001164771485	721187938	/nfs/dbraw/zinc/18/79/38/721187938.db2.gz	QLHHQIYLPBVFJL-JKSUJKDBSA-N	1	1	361.453	2.126	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5c(cc4C#N)CCC5)C[C@H]3C2)cn1	ZINC001164762662	721199226	/nfs/dbraw/zinc/19/92/26/721199226.db2.gz	DCBDZOJLMBGMJK-PKOBYXMFSA-N	1	1	362.481	2.134	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5c(cc4C#N)CCC5)C[C@H]3C2)cn1	ZINC001164762655	721200950	/nfs/dbraw/zinc/20/09/50/721200950.db2.gz	DCBDZOJLMBGMJK-IEBWSBKVSA-N	1	1	362.481	2.134	20	30		FEEDMO
Cc1ccc(C#N)c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164891893	721393179	/nfs/dbraw/zinc/39/31/79/721393179.db2.gz	RJMOVONTNSXJLC-FPOVZHCZSA-N	1	1	369.513	2.027	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2C#N)[C@@H]2CCCO[C@H]12	ZINC001164805583	721535636	/nfs/dbraw/zinc/53/56/36/721535636.db2.gz	MJWJQQSXHRXKNZ-QRVBRYPASA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2C#N)[C@@H]2CCCO[C@H]12	ZINC001164805583	721535641	/nfs/dbraw/zinc/53/56/41/721535641.db2.gz	MJWJQQSXHRXKNZ-QRVBRYPASA-N	1	1	367.428	2.356	20	30		FEEDMO
C=CC[NH+]1CCN(c2nccc(C#C[Si](C)(C)C)c2C(=O)OC)CC1	ZINC001165031952	721868775	/nfs/dbraw/zinc/86/87/75/721868775.db2.gz	FDRAVNSASLBGJE-UHFFFAOYSA-N	1	1	357.530	2.405	20	30		FEEDMO
C=CC[NH+]1CCN(c2ccc(-c3ccc(OC)c(OC)c3OC)nn2)CC1	ZINC001165034961	721872686	/nfs/dbraw/zinc/87/26/86/721872686.db2.gz	RDNLQWXVMXHNPP-UHFFFAOYSA-N	1	1	370.453	2.477	20	30		FEEDMO
CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000521557031	821291930	/nfs/dbraw/zinc/29/19/30/821291930.db2.gz	WJAWKMRVWYIUGP-HNNXBMFYSA-N	1	1	353.430	2.005	20	30		FEEDMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000521557031	821291933	/nfs/dbraw/zinc/29/19/33/821291933.db2.gz	WJAWKMRVWYIUGP-HNNXBMFYSA-N	1	1	353.430	2.005	20	30		FEEDMO
N#Cc1cccc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1	ZINC000011035705	539523827	/nfs/dbraw/zinc/52/38/27/539523827.db2.gz	WLHOITUAEMCTGV-QGZVFWFLSA-N	1	1	360.377	2.166	20	30		FEEDMO
C[C@H](C(=O)NCC(F)(F)F)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000022850352	539701043	/nfs/dbraw/zinc/70/10/43/539701043.db2.gz	YODMBOQIUCWWJE-CQSZACIVSA-N	1	1	368.403	2.133	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1	ZINC000024370908	539730236	/nfs/dbraw/zinc/73/02/36/539730236.db2.gz	LQOVUXAFSMPTSG-NSHDSACASA-N	1	1	354.248	2.281	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)N(C)Cc1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000045492574	540215083	/nfs/dbraw/zinc/21/50/83/540215083.db2.gz	NESFFJAMIOVHEU-IBGZPJMESA-N	1	1	358.486	2.447	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSCc2ccc(C#N)cc2)C1	ZINC000047777046	540328221	/nfs/dbraw/zinc/32/82/21/540328221.db2.gz	HCOGZXKHUDDEFZ-SFHVURJKSA-N	1	1	361.511	2.264	20	30		FEEDMO
CCCCN(C)C(=O)C1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000052186432	540457277	/nfs/dbraw/zinc/45/72/77/540457277.db2.gz	CPTIYAWWOJZNLL-OXQOHEQNSA-N	1	1	364.534	2.400	20	30		FEEDMO
CCCCN(C)C(=O)C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000052186347	540457402	/nfs/dbraw/zinc/45/74/02/540457402.db2.gz	LWTLUMBWLPWZPA-LJQANCHMSA-N	1	1	350.507	2.011	20	30		FEEDMO
N#Cc1ccccc1OCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000053358661	540528896	/nfs/dbraw/zinc/52/88/96/540528896.db2.gz	HLVAZFRZTIDYAN-UHFFFAOYSA-N	1	1	365.433	2.086	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1	ZINC000055121138	540630174	/nfs/dbraw/zinc/63/01/74/540630174.db2.gz	VYLZMQFKDIZKNH-FQEVSTJZSA-N	1	1	360.477	2.388	20	30		FEEDMO
Cc1nnc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c(C#N)c1C	ZINC000328626895	223121085	/nfs/dbraw/zinc/12/10/85/223121085.db2.gz	MEBULAGVRVOKHQ-MAUKXSAKSA-N	1	1	353.474	2.218	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2CO)c1C#N	ZINC000063512462	541172553	/nfs/dbraw/zinc/17/25/53/541172553.db2.gz	KJPQQLLXKJPAKK-GOSISDBHSA-N	1	1	366.465	2.420	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2CO)c1C#N	ZINC000063512462	541172555	/nfs/dbraw/zinc/17/25/55/541172555.db2.gz	KJPQQLLXKJPAKK-GOSISDBHSA-N	1	1	366.465	2.420	20	30		FEEDMO
COCCC[N@@H+](CCOC)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000063549985	541173302	/nfs/dbraw/zinc/17/33/02/541173302.db2.gz	LKMSWJQPJAJHMR-UHFFFAOYSA-N	1	1	365.499	2.422	20	30		FEEDMO
Cc1cc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)on1	ZINC000064230866	541195980	/nfs/dbraw/zinc/19/59/80/541195980.db2.gz	OBSMPMFPDAWJQD-UHFFFAOYSA-N	1	1	353.426	2.272	20	30		FEEDMO
N#CCNC(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1	ZINC000066492374	541327565	/nfs/dbraw/zinc/32/75/65/541327565.db2.gz	FWHOKSXEJLWPGY-UHFFFAOYSA-N	1	1	372.469	2.312	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[NH+]2CCC(c3nnc4ccccn43)CC2)c1	ZINC000067442599	541465264	/nfs/dbraw/zinc/46/52/64/541465264.db2.gz	RVLRXLWEQVWBMS-UHFFFAOYSA-N	1	1	360.421	2.419	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000545198070	541901156	/nfs/dbraw/zinc/90/11/56/541901156.db2.gz	AXDJJZXDPKTKMJ-INIZCTEOSA-N	1	1	365.441	2.149	20	30		FEEDMO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[N@H+](CC)CCO2)cc1	ZINC000073046967	541912366	/nfs/dbraw/zinc/91/23/66/541912366.db2.gz	AUWKHEWAHQKRKE-GOSISDBHSA-N	1	1	357.454	2.160	20	30		FEEDMO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[N@@H+](CC)CCO2)cc1	ZINC000073046967	541912369	/nfs/dbraw/zinc/91/23/69/541912369.db2.gz	AUWKHEWAHQKRKE-GOSISDBHSA-N	1	1	357.454	2.160	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2CCN(CC#N)CC2)C1	ZINC000073216272	541930730	/nfs/dbraw/zinc/93/07/30/541930730.db2.gz	GSIDMAMBWKAUTA-MSOLQXFVSA-N	1	1	361.534	2.270	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H](O)COCc1ccccc1	ZINC000074289320	542063792	/nfs/dbraw/zinc/06/37/92/542063792.db2.gz	JGAFGQFKSILDDE-FQEVSTJZSA-N	1	1	367.449	2.396	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[NH+]3CCC(C(=O)N4CCCC4)CC3)o2)c1	ZINC000075587685	542190667	/nfs/dbraw/zinc/19/06/67/542190667.db2.gz	ZZUMYLRBBPYOAQ-UHFFFAOYSA-N	1	1	365.437	2.443	20	30		FEEDMO
N#Cc1ccc(OCC[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1	ZINC000076048545	542226731	/nfs/dbraw/zinc/22/67/31/542226731.db2.gz	NYECYBTUJHIBKP-IBGZPJMESA-N	1	1	357.454	2.040	20	30		FEEDMO
N#Cc1ccc(OCC[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1	ZINC000076048545	542226732	/nfs/dbraw/zinc/22/67/32/542226732.db2.gz	NYECYBTUJHIBKP-IBGZPJMESA-N	1	1	357.454	2.040	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1	ZINC000079138094	542502839	/nfs/dbraw/zinc/50/28/39/542502839.db2.gz	DBZVNHIDEBCHPR-UHFFFAOYSA-N	1	1	350.532	2.472	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1	ZINC000079593612	542529753	/nfs/dbraw/zinc/52/97/53/542529753.db2.gz	LZWKZSVCNJLBEH-UHFFFAOYSA-N	1	1	374.529	2.419	20	30		FEEDMO
COCCC[N@H+]1CCCN(CC(=O)Nc2sc(C)c(C)c2C#N)CC1	ZINC000079460455	542520785	/nfs/dbraw/zinc/52/07/85/542520785.db2.gz	OREZTUJBMYSXNO-UHFFFAOYSA-N	1	1	364.515	2.219	20	30		FEEDMO
C#CCC[NH+]1CCN(c2ncccc2C(=O)N2CCc3ccccc32)CC1	ZINC000091480410	542809819	/nfs/dbraw/zinc/80/98/19/542809819.db2.gz	YREIXBPHYWEGSE-UHFFFAOYSA-N	1	1	360.461	2.430	20	30		FEEDMO
C#CCC[NH+]1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1	ZINC000091480406	542809873	/nfs/dbraw/zinc/80/98/73/542809873.db2.gz	BECYNMQEALAWOT-UHFFFAOYSA-N	1	1	351.790	2.180	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(OCc2ccccc2F)CC1	ZINC000091867909	542829204	/nfs/dbraw/zinc/82/92/04/542829204.db2.gz	BFHMNYOHFKWVNX-UHFFFAOYSA-N	1	1	372.444	2.463	20	30		FEEDMO
C#CCCOc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1	ZINC000092044903	542841589	/nfs/dbraw/zinc/84/15/89/542841589.db2.gz	WQKUNABIGBZSKI-LJQANCHMSA-N	1	1	362.495	2.089	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1	ZINC000092044903	542841590	/nfs/dbraw/zinc/84/15/90/542841590.db2.gz	WQKUNABIGBZSKI-LJQANCHMSA-N	1	1	362.495	2.089	20	30		FEEDMO
CN(C1CCCCC1)S(=O)(=O)N1CC[NH+](CC(C)(C)CCC#N)CC1	ZINC000092258051	542852681	/nfs/dbraw/zinc/85/26/81/542852681.db2.gz	ILXXZGVLQGBJLP-UHFFFAOYSA-N	1	1	370.563	2.443	20	30		FEEDMO
CCc1cccc(NC(=[NH2+])NCc2ccnc(N3CCN(C)CC3)c2)c1	ZINC000104163562	543125430	/nfs/dbraw/zinc/12/54/30/543125430.db2.gz	LVMKWAMZOAQYDP-UHFFFAOYSA-N	1	1	352.486	2.323	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000104800959	543145076	/nfs/dbraw/zinc/14/50/76/543145076.db2.gz	HENOTODHSXAOCY-OAHLLOKOSA-N	1	1	364.515	2.033	20	30		FEEDMO
Cc1oc(NC(=O)C[N@H+](C)C[C@@H]2CCCN2c2cccnn2)c(C#N)c1C	ZINC000106087134	543194055	/nfs/dbraw/zinc/19/40/55/543194055.db2.gz	GXLHRAJSGPFTSW-HNNXBMFYSA-N	1	1	368.441	2.097	20	30		FEEDMO
Cc1oc(NC(=O)C[N@@H+](C)C[C@@H]2CCCN2c2cccnn2)c(C#N)c1C	ZINC000106087134	543194056	/nfs/dbraw/zinc/19/40/56/543194056.db2.gz	GXLHRAJSGPFTSW-HNNXBMFYSA-N	1	1	368.441	2.097	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H]2CCOC2)c1C#N	ZINC000106886610	543252522	/nfs/dbraw/zinc/25/25/22/543252522.db2.gz	KRLALGJTCCOBER-HNNXBMFYSA-N	1	1	356.426	2.277	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@H]2CCOC2)c1C#N	ZINC000106886610	543252523	/nfs/dbraw/zinc/25/25/23/543252523.db2.gz	KRLALGJTCCOBER-HNNXBMFYSA-N	1	1	356.426	2.277	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1	ZINC000114587394	543524762	/nfs/dbraw/zinc/52/47/62/543524762.db2.gz	PWVZQKLQHQLJRN-AZUAARDMSA-N	1	1	369.513	2.138	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2ccc(OCC#N)cc2)[C@H](C)C1	ZINC000115270833	543557219	/nfs/dbraw/zinc/55/72/19/543557219.db2.gz	GKCQRBNOWHIEPL-XLIONFOSSA-N	1	1	373.497	2.385	20	30		FEEDMO
C=CCCC[N@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1	ZINC000121145636	543689895	/nfs/dbraw/zinc/68/98/95/543689895.db2.gz	CNEMILULSILHHM-UHFFFAOYSA-N	1	1	353.488	2.082	20	30		FEEDMO
C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000121592625	543697332	/nfs/dbraw/zinc/69/73/32/543697332.db2.gz	HYIHBROARIXICK-OAHLLOKOSA-N	1	1	365.499	2.306	20	30		FEEDMO
C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000121592625	543697335	/nfs/dbraw/zinc/69/73/35/543697335.db2.gz	HYIHBROARIXICK-OAHLLOKOSA-N	1	1	365.499	2.306	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000122878503	543729068	/nfs/dbraw/zinc/72/90/68/543729068.db2.gz	CUUBFMJMPROXNM-HNNXBMFYSA-N	1	1	357.454	2.353	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000122878503	543729070	/nfs/dbraw/zinc/72/90/70/543729070.db2.gz	CUUBFMJMPROXNM-HNNXBMFYSA-N	1	1	357.454	2.353	20	30		FEEDMO
C[C@]1(O)CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000124616585	543833290	/nfs/dbraw/zinc/83/32/90/543833290.db2.gz	MYDNEIXMIPFRIP-KRWDZBQOSA-N	1	1	354.372	2.020	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccccc2C#N)C[N@H+]1Cc1ccccc1	ZINC000126359016	543932119	/nfs/dbraw/zinc/93/21/19/543932119.db2.gz	IFBQSXGNZZIPQH-YJBOKZPZSA-N	1	1	355.463	2.500	20	30		FEEDMO
CC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1	ZINC000126365951	543932370	/nfs/dbraw/zinc/93/23/70/543932370.db2.gz	DYDQCGBQNNTDME-UHFFFAOYSA-N	1	1	366.421	2.357	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1	ZINC000127294811	543983758	/nfs/dbraw/zinc/98/37/58/543983758.db2.gz	OQBDIFJJRLVOGR-AWEZNQCLSA-N	1	1	364.287	2.417	20	30		FEEDMO
C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)N1CCSCC1	ZINC000130810752	544165927	/nfs/dbraw/zinc/16/59/27/544165927.db2.gz	HMBMGYFMTZGZTJ-KRWDZBQOSA-N	1	1	372.538	2.030	20	30		FEEDMO
C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)N1CCSCC1	ZINC000130810752	544165929	/nfs/dbraw/zinc/16/59/29/544165929.db2.gz	HMBMGYFMTZGZTJ-KRWDZBQOSA-N	1	1	372.538	2.030	20	30		FEEDMO
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)[C@@H](C)CO)cc1	ZINC000132138923	544220498	/nfs/dbraw/zinc/22/04/98/544220498.db2.gz	HWJHHXMRFJZMEU-ZDUSSCGKSA-N	1	1	370.453	2.226	20	30		FEEDMO
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)[C@@H](C)CO)cc1	ZINC000132138923	544220502	/nfs/dbraw/zinc/22/05/02/544220502.db2.gz	HWJHHXMRFJZMEU-ZDUSSCGKSA-N	1	1	370.453	2.226	20	30		FEEDMO
CC(C)(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(N)=O	ZINC000133996892	544290789	/nfs/dbraw/zinc/29/07/89/544290789.db2.gz	OMTSFKRVDVPIOA-UHFFFAOYSA-N	1	1	362.499	2.413	20	30		FEEDMO
CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)cc2F)c1	ZINC000136348382	544371528	/nfs/dbraw/zinc/37/15/28/544371528.db2.gz	MAKRSHULALJRIA-UHFFFAOYSA-N	1	1	368.412	2.404	20	30		FEEDMO
CC[C@@H]1CCCCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000150737439	544466051	/nfs/dbraw/zinc/46/60/51/544466051.db2.gz	ZRJLXLUYFSELRT-MRXNPFEDSA-N	1	1	359.474	2.158	20	30		FEEDMO
C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)nc2)C[N@H+]1Cc1ccccc1	ZINC000152001416	544603996	/nfs/dbraw/zinc/60/39/96/544603996.db2.gz	PJPRNBVXXODUSS-NVXWUHKLSA-N	1	1	370.478	2.142	20	30		FEEDMO
CN1CCN([C@H]2CCCC[N@@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000152296761	544635381	/nfs/dbraw/zinc/63/53/81/544635381.db2.gz	ACWRVIFLPSRTPF-FQEVSTJZSA-N	1	1	356.514	2.429	20	30		FEEDMO
CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000153295438	544757202	/nfs/dbraw/zinc/75/72/02/544757202.db2.gz	FVCQTBBDTYOISC-AWEZNQCLSA-N	1	1	368.485	2.168	20	30		FEEDMO
Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000153320302	544760006	/nfs/dbraw/zinc/76/00/06/544760006.db2.gz	JSXDDRZCKOUKQT-AWEZNQCLSA-N	1	1	354.458	2.372	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153326113	544761114	/nfs/dbraw/zinc/76/11/14/544761114.db2.gz	OYXQQCUWMYCTAW-JTQLQIEISA-N	1	1	362.384	2.033	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000180186580	327675528	/nfs/dbraw/zinc/67/55/28/327675528.db2.gz	RYYMHCNCIDCBET-UHFFFAOYSA-N	1	1	352.847	2.427	20	30		FEEDMO
C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1ccc(C#N)cc1	ZINC000181964459	327755006	/nfs/dbraw/zinc/75/50/06/327755006.db2.gz	XMSMMWDLLNMCNR-HNNXBMFYSA-N	1	1	373.478	2.022	20	30		FEEDMO
C[C@H]1CSCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000190471595	328209745	/nfs/dbraw/zinc/20/97/45/328209745.db2.gz	IKCHYTPADGTVTK-CQSZACIVSA-N	1	1	355.467	2.367	20	30		FEEDMO
C[C@H]1CSCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000190471595	328209747	/nfs/dbraw/zinc/20/97/47/328209747.db2.gz	IKCHYTPADGTVTK-CQSZACIVSA-N	1	1	355.467	2.367	20	30		FEEDMO
COc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1	ZINC000192241797	328308850	/nfs/dbraw/zinc/30/88/50/328308850.db2.gz	AWOFMMLGOIQGOC-IBGZPJMESA-N	1	1	365.433	2.466	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCCCCCO)CC2)cc1	ZINC000192719829	328334830	/nfs/dbraw/zinc/33/48/30/328334830.db2.gz	ULJDKLRZGGFWHK-UHFFFAOYSA-N	1	1	358.486	2.328	20	30		FEEDMO
C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccnc(C#N)c2)C[C@@H](C)O1	ZINC000192726197	328335600	/nfs/dbraw/zinc/33/56/00/328335600.db2.gz	JPSUEKHFIVAFJV-HZPDHXFCSA-N	1	1	364.449	2.492	20	30		FEEDMO
COc1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC2	ZINC000193708995	328390891	/nfs/dbraw/zinc/39/08/91/328390891.db2.gz	ARYRSILBBGHHJG-GOSISDBHSA-N	1	1	352.434	2.407	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN([C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1	ZINC000022136708	324397232	/nfs/dbraw/zinc/39/72/32/324397232.db2.gz	XKRFNCQTEXDUHC-FQEVSTJZSA-N	1	1	366.440	2.432	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)cc1	ZINC000022457938	324398827	/nfs/dbraw/zinc/39/88/27/324398827.db2.gz	SRGCIWCYVUWOQC-HXUWFJFHSA-N	1	1	351.450	2.116	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000083025531	325210627	/nfs/dbraw/zinc/21/06/27/325210627.db2.gz	UGYCCMUCAQFKNL-IXDOHACOSA-N	1	1	359.470	2.331	20	30		FEEDMO
N#Cc1ccc2ncc(CN3CCC(OCC[NH+]4CCCC4)CC3)n2c1	ZINC000093735001	325446822	/nfs/dbraw/zinc/44/68/22/325446822.db2.gz	JJLHSMGGCIJBLW-UHFFFAOYSA-N	1	1	353.470	2.283	20	30		FEEDMO
N#Cc1ccccc1N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1	ZINC000101554279	325471644	/nfs/dbraw/zinc/47/16/44/325471644.db2.gz	REOXYODASHNLLE-UHFFFAOYSA-N	1	1	359.433	2.159	20	30		FEEDMO
Cc1cccc(N2CCC(NS(=O)(=O)c3ccc(F)c(C#N)c3)CC2)[nH+]1	ZINC000116904918	326041589	/nfs/dbraw/zinc/04/15/89/326041589.db2.gz	UATPINKTMWFMJJ-UHFFFAOYSA-N	1	1	374.441	2.348	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1	ZINC000118810784	326104194	/nfs/dbraw/zinc/10/41/94/326104194.db2.gz	DWSSAPCOVRQRHG-DLBZAZTESA-N	1	1	357.502	2.192	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[NH+]2CCC(CN3CCCCC3=O)CC2)c1	ZINC000118851658	326108621	/nfs/dbraw/zinc/10/86/21/326108621.db2.gz	BHFRIFCNFVQTKR-UHFFFAOYSA-N	1	1	354.454	2.221	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000119737900	326193069	/nfs/dbraw/zinc/19/30/69/326193069.db2.gz	BQLFPWGLVRFIOC-CYBMUJFWSA-N	1	1	362.861	2.244	20	30		FEEDMO
N#Cc1cccnc1N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1	ZINC000120546461	326267332	/nfs/dbraw/zinc/26/73/32/326267332.db2.gz	CVGBCJAIJBEPMJ-QGZVFWFLSA-N	1	1	372.856	2.169	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1C1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000121685472	326358028	/nfs/dbraw/zinc/35/80/28/326358028.db2.gz	FLYKFZNORKTYPC-CYBMUJFWSA-N	1	1	358.417	2.111	20	30		FEEDMO
CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)n1	ZINC000121691272	326358512	/nfs/dbraw/zinc/35/85/12/326358512.db2.gz	SUTZLTWABOZRSN-CQSZACIVSA-N	1	1	373.432	2.496	20	30		FEEDMO
CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)n1	ZINC000121691272	326358514	/nfs/dbraw/zinc/35/85/14/326358514.db2.gz	SUTZLTWABOZRSN-CQSZACIVSA-N	1	1	373.432	2.496	20	30		FEEDMO
N#Cc1cnc2ccccc2c1N1CC[NH+](CCOC[C@@H]2CCCO2)CC1	ZINC000152211621	326701820	/nfs/dbraw/zinc/70/18/20/326701820.db2.gz	TXAAGBSGFLRAFF-SFHVURJKSA-N	1	1	366.465	2.424	20	30		FEEDMO
N#Cc1ccc([C@@H](O)CN(CC[NH+]2CCOCC2)c2ccccc2)cc1	ZINC000156642237	326839089	/nfs/dbraw/zinc/83/90/89/326839089.db2.gz	WSXAYRRFYZOTQB-NRFANRHFSA-N	1	1	351.450	2.430	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000162776300	327034458	/nfs/dbraw/zinc/03/44/58/327034458.db2.gz	CQOMEOSUYZLWDV-INIZCTEOSA-N	1	1	353.463	2.381	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1	ZINC000164137485	327065245	/nfs/dbraw/zinc/06/52/45/327065245.db2.gz	GEOQZNHONBWTQE-UHFFFAOYSA-N	1	1	371.466	2.077	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000170648459	327090450	/nfs/dbraw/zinc/09/04/50/327090450.db2.gz	FIELSCIZVRFKAF-OAHLLOKOSA-N	1	1	358.442	2.343	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000170648459	327090452	/nfs/dbraw/zinc/09/04/52/327090452.db2.gz	FIELSCIZVRFKAF-OAHLLOKOSA-N	1	1	358.442	2.343	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cn1	ZINC000170665938	327092459	/nfs/dbraw/zinc/09/24/59/327092459.db2.gz	FDZSNGBZBUKAOA-UHFFFAOYSA-N	1	1	374.441	2.035	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000171623807	327148969	/nfs/dbraw/zinc/14/89/69/327148969.db2.gz	RGDCSEICIYNAKH-ZBFHGGJFSA-N	1	1	364.453	2.303	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000171623807	327148971	/nfs/dbraw/zinc/14/89/71/327148971.db2.gz	RGDCSEICIYNAKH-ZBFHGGJFSA-N	1	1	364.453	2.303	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2cc(C#N)ccc2F)C[C@@H](C)O1	ZINC000174030517	327302650	/nfs/dbraw/zinc/30/26/50/327302650.db2.gz	VTVBZNCVGUPGMY-ZIAGYGMSSA-N	1	1	362.449	2.384	20	30		FEEDMO
COc1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)cc1C#N	ZINC000174260576	327315734	/nfs/dbraw/zinc/31/57/34/327315734.db2.gz	WCJGZTFAUIKCKL-UHFFFAOYSA-N	1	1	359.451	2.107	20	30		FEEDMO
CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc(C#N)cs1	ZINC000267760311	329355574	/nfs/dbraw/zinc/35/55/74/329355574.db2.gz	QWXUKIBGJRUUPR-OAHLLOKOSA-N	1	1	363.483	2.499	20	30		FEEDMO
CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc(C#N)cs1	ZINC000267760308	329355680	/nfs/dbraw/zinc/35/56/80/329355680.db2.gz	QWXUKIBGJRUUPR-HNNXBMFYSA-N	1	1	363.483	2.499	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000276176184	330126453	/nfs/dbraw/zinc/12/64/53/330126453.db2.gz	LOYFBUNPEURHOX-UONOGXRCSA-N	1	1	360.845	2.235	20	30		FEEDMO
Cn1cc[nH+]c1N1CCC(NC(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000369336737	330241274	/nfs/dbraw/zinc/24/12/74/330241274.db2.gz	YBHMTADORGAFGP-UHFFFAOYSA-N	1	1	369.494	2.310	20	30		FEEDMO
N#Cc1cccc(OCCC[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)c1	ZINC000156047695	545594977	/nfs/dbraw/zinc/59/49/77/545594977.db2.gz	WXKLHPXXJQSZLN-LJQANCHMSA-N	1	1	357.454	2.040	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1CCC(CO)CC1	ZINC000156278302	545613517	/nfs/dbraw/zinc/61/35/17/545613517.db2.gz	KCKCZXLJTGJMTH-UHFFFAOYSA-N	1	1	367.453	2.165	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C[C@H](C)O)c1C#N	ZINC000156277553	545613573	/nfs/dbraw/zinc/61/35/73/545613573.db2.gz	QAHVUTUCVKANPU-AWEZNQCLSA-N	1	1	354.454	2.276	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C[C@H](C)O)c1C#N	ZINC000156277553	545613576	/nfs/dbraw/zinc/61/35/76/545613576.db2.gz	QAHVUTUCVKANPU-AWEZNQCLSA-N	1	1	354.454	2.276	20	30		FEEDMO
COc1ccc(C[N@@H+](CCO)C[C@@H](O)c2ccc(C#N)cc2)c(OC)c1	ZINC000156353346	545620722	/nfs/dbraw/zinc/62/07/22/545620722.db2.gz	YBLMXIIZDGGFPF-LJQANCHMSA-N	1	1	356.422	2.103	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000156358399	545621826	/nfs/dbraw/zinc/62/18/26/545621826.db2.gz	CFTLPDXSNCUGMX-RDJZCZTQSA-N	1	1	374.460	2.261	20	30		FEEDMO
CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000156687880	545647988	/nfs/dbraw/zinc/64/79/88/545647988.db2.gz	XVDPIDIGEZVPPK-ZDUSSCGKSA-N	1	1	361.389	2.340	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000156687880	545647992	/nfs/dbraw/zinc/64/79/92/545647992.db2.gz	XVDPIDIGEZVPPK-ZDUSSCGKSA-N	1	1	361.389	2.340	20	30		FEEDMO
N#Cc1cc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-]	ZINC000157655407	545766895	/nfs/dbraw/zinc/76/68/95/545766895.db2.gz	RJNSFMVMRLWNJJ-GOSISDBHSA-N	1	1	352.394	2.298	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1	ZINC000157910664	545799351	/nfs/dbraw/zinc/79/93/51/545799351.db2.gz	SPVGWSYSKSQRSE-HKBOAZHASA-N	1	1	352.434	2.416	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccccc2)cc1	ZINC000157910664	545799355	/nfs/dbraw/zinc/79/93/55/545799355.db2.gz	SPVGWSYSKSQRSE-HKBOAZHASA-N	1	1	352.434	2.416	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(C(=O)Cc2ccc(OCC#N)cc2)CC1	ZINC000162710579	546141972	/nfs/dbraw/zinc/14/19/72/546141972.db2.gz	HRXDXANLSWFEFV-UHFFFAOYSA-N	1	1	352.438	2.346	20	30		FEEDMO
CCC(CC)[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1	ZINC000165372831	546153580	/nfs/dbraw/zinc/15/35/80/546153580.db2.gz	YUSGQHWJOYIFBV-UHFFFAOYSA-N	1	1	359.474	2.156	20	30		FEEDMO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1n[nH]c(CC)n1	ZINC000479206786	561184751	/nfs/dbraw/zinc/18/47/51/561184751.db2.gz	FPMQCBLXHTYPJN-UHFFFAOYSA-N	1	1	361.519	2.465	20	30		FEEDMO
N#CCCn1ccc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1	ZINC000173698756	546285847	/nfs/dbraw/zinc/28/58/47/546285847.db2.gz	JVOWSHOKIYJSAC-KRWDZBQOSA-N	1	1	353.426	2.026	20	30		FEEDMO
N#CCCn1ccc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1	ZINC000173698756	546285849	/nfs/dbraw/zinc/28/58/49/546285849.db2.gz	JVOWSHOKIYJSAC-KRWDZBQOSA-N	1	1	353.426	2.026	20	30		FEEDMO
CC(C)OCCN1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000177484651	546629366	/nfs/dbraw/zinc/62/93/66/546629366.db2.gz	IVNBNXCRNQOPHG-INIZCTEOSA-N	1	1	358.486	2.364	20	30		FEEDMO
N#Cc1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c1	ZINC000177997282	546719985	/nfs/dbraw/zinc/71/99/85/546719985.db2.gz	GLMOZIYKENJYJA-UHFFFAOYSA-N	1	1	353.875	2.461	20	30		FEEDMO
N#Cc1ccccc1N1CCC[N@H+](CCCNC(=O)C(F)(F)F)CC1	ZINC000178397960	546785937	/nfs/dbraw/zinc/78/59/37/546785937.db2.gz	MWNJQXZHBMLJSX-UHFFFAOYSA-N	1	1	354.376	2.139	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1	ZINC000178448410	546796176	/nfs/dbraw/zinc/79/61/76/546796176.db2.gz	DROIRYOYAAEOOB-FQEVSTJZSA-N	1	1	369.440	2.255	20	30		FEEDMO
C[C@H](N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1)C(F)(F)F	ZINC000178734439	546840734	/nfs/dbraw/zinc/84/07/34/546840734.db2.gz	OBEQRAALYUTBHU-ZDUSSCGKSA-N	1	1	354.376	2.455	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1	ZINC000179469953	546959654	/nfs/dbraw/zinc/95/96/54/546959654.db2.gz	MBHCXVFVUXNVNE-RBUKOAKNSA-N	1	1	362.433	2.367	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	ZINC000180017131	547039479	/nfs/dbraw/zinc/03/94/79/547039479.db2.gz	NTGPRPDGHJDUNY-IRXDYDNUSA-N	1	1	373.501	2.373	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1	ZINC000180402543	547101592	/nfs/dbraw/zinc/10/15/92/547101592.db2.gz	GRBWDARMSTVDKQ-NVXWUHKLSA-N	1	1	353.466	2.376	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000180413705	547103700	/nfs/dbraw/zinc/10/37/00/547103700.db2.gz	ZZWVIJNWKLOPJQ-HOCLYGCPSA-N	1	1	354.454	2.266	20	30		FEEDMO
N#Cc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000180722582	547166699	/nfs/dbraw/zinc/16/66/99/547166699.db2.gz	QSSVIJSGVZZKRL-IBGZPJMESA-N	1	1	350.422	2.447	20	30		FEEDMO
C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000181250830	547280447	/nfs/dbraw/zinc/28/04/47/547280447.db2.gz	AYJCXLKLAACBTK-CQSZACIVSA-N	1	1	353.488	2.208	20	30		FEEDMO
C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000181250830	547280451	/nfs/dbraw/zinc/28/04/51/547280451.db2.gz	AYJCXLKLAACBTK-CQSZACIVSA-N	1	1	353.488	2.208	20	30		FEEDMO
N#Cc1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)c[nH]1	ZINC000181253094	547280794	/nfs/dbraw/zinc/28/07/94/547280794.db2.gz	DGQNOQINDRFNAL-UHFFFAOYSA-N	1	1	371.872	2.482	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@](C)(C(N)=O)C1	ZINC000483285625	561272848	/nfs/dbraw/zinc/27/28/48/561272848.db2.gz	OUFKLGUCHLJJDY-HXPMCKFVSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@](C)(C(N)=O)C1	ZINC000483285625	561272849	/nfs/dbraw/zinc/27/28/49/561272849.db2.gz	OUFKLGUCHLJJDY-HXPMCKFVSA-N	1	1	374.510	2.413	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c1C	ZINC000483294080	561273096	/nfs/dbraw/zinc/27/30/96/561273096.db2.gz	HPZFSINDODAYSV-IEBWSBKVSA-N	1	1	359.470	2.022	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c1C	ZINC000483294080	561273097	/nfs/dbraw/zinc/27/30/97/561273097.db2.gz	HPZFSINDODAYSV-IEBWSBKVSA-N	1	1	359.470	2.022	20	30		FEEDMO
COc1ccc(C#N)cc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1	ZINC000182614069	547522292	/nfs/dbraw/zinc/52/22/92/547522292.db2.gz	CFISSTRGFWIFQH-YOFSQIOKSA-N	1	1	354.498	2.310	20	30		FEEDMO
C=CCCC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000182790627	547552932	/nfs/dbraw/zinc/55/29/32/547552932.db2.gz	LLGANEWOSACULV-IBGZPJMESA-N	1	1	358.461	2.433	20	30		FEEDMO
CC[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000182843659	547560970	/nfs/dbraw/zinc/56/09/70/547560970.db2.gz	SYBPTQYLERBKEK-APWZRJJASA-N	1	1	358.461	2.266	20	30		FEEDMO
COCCO[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182945167	547576475	/nfs/dbraw/zinc/57/64/75/547576475.db2.gz	KQKMEHHDNRYZIH-RTBURBONSA-N	1	1	357.454	2.181	20	30		FEEDMO
COCCO[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182945167	547576479	/nfs/dbraw/zinc/57/64/79/547576479.db2.gz	KQKMEHHDNRYZIH-RTBURBONSA-N	1	1	357.454	2.181	20	30		FEEDMO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1	ZINC000183181395	547616790	/nfs/dbraw/zinc/61/67/90/547616790.db2.gz	OJBMKPSVKTYAIT-KRWDZBQOSA-N	1	1	370.453	2.047	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)nc1	ZINC000185479107	547989613	/nfs/dbraw/zinc/98/96/13/547989613.db2.gz	TWQBSJDFLQXRQU-OAHLLOKOSA-N	1	1	354.479	2.389	20	30		FEEDMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(CC#N)c1	ZINC000188167550	548273848	/nfs/dbraw/zinc/27/38/48/548273848.db2.gz	GUVGMRQJODJCEG-QFIPXVFZSA-N	1	1	363.461	2.462	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000188359334	548277956	/nfs/dbraw/zinc/27/79/56/548277956.db2.gz	OWIONPUXXQNISH-FQEVSTJZSA-N	1	1	359.470	2.242	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)C2(CO)CCOCC2)cc1C	ZINC000190977496	548338027	/nfs/dbraw/zinc/33/80/27/548338027.db2.gz	SLZMDLWLHYRBDH-UHFFFAOYSA-N	1	1	359.470	2.023	20	30		FEEDMO
C#CCCCC(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000192184685	548359987	/nfs/dbraw/zinc/35/99/87/548359987.db2.gz	UBSKDQULRMLGAJ-UHFFFAOYSA-N	1	1	361.417	2.229	20	30		FEEDMO
CC[C@H](C)[C@@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)OC	ZINC000194540324	548496205	/nfs/dbraw/zinc/49/62/05/548496205.db2.gz	MPRNDIMZNLNSMO-IFXJQAMLSA-N	1	1	357.454	2.227	20	30		FEEDMO
CC[C@H](C)[C@@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)OC	ZINC000194540324	548496209	/nfs/dbraw/zinc/49/62/09/548496209.db2.gz	MPRNDIMZNLNSMO-IFXJQAMLSA-N	1	1	357.454	2.227	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC3CCOCC3)CC2)cc1	ZINC000194817526	548535532	/nfs/dbraw/zinc/53/55/32/548535532.db2.gz	CRBRBQPNXKFVJA-UHFFFAOYSA-N	1	1	356.470	2.202	20	30		FEEDMO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1	ZINC000194920874	548550636	/nfs/dbraw/zinc/55/06/36/548550636.db2.gz	ZJNLNJNWKFNICO-CALCHBBNSA-N	1	1	355.482	2.497	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCCC)C1	ZINC000195316063	548621334	/nfs/dbraw/zinc/62/13/34/548621334.db2.gz	GQHQAGSQOYVVLX-MOPGFXCFSA-N	1	1	360.498	2.393	20	30		FEEDMO
C[C@@H]1CN(CC[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1	ZINC000195327221	548623494	/nfs/dbraw/zinc/62/34/94/548623494.db2.gz	DHKKKNNZJHNAIH-QKLQHJQFSA-N	1	1	370.497	2.095	20	30		FEEDMO
C[C@@H]1CN(CC[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1	ZINC000195327221	548623501	/nfs/dbraw/zinc/62/35/01/548623501.db2.gz	DHKKKNNZJHNAIH-QKLQHJQFSA-N	1	1	370.497	2.095	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccc(C#N)c(C)c2)C1	ZINC000487918056	561378870	/nfs/dbraw/zinc/37/88/70/561378870.db2.gz	OFZHNBANQUTXLO-SFHVURJKSA-N	1	1	357.454	2.100	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccc(C#N)c(C)c2)C1	ZINC000487918056	561378871	/nfs/dbraw/zinc/37/88/71/561378871.db2.gz	OFZHNBANQUTXLO-SFHVURJKSA-N	1	1	357.454	2.100	20	30		FEEDMO
COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](CCC(=O)N(C)CCC#N)C1	ZINC000245547185	548944772	/nfs/dbraw/zinc/94/47/72/548944772.db2.gz	XEQFJFQUKWDRAM-ZWKOTPCHSA-N	1	1	357.454	2.027	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)CC1	ZINC000245554526	548945698	/nfs/dbraw/zinc/94/56/98/548945698.db2.gz	HDNRQXQFTMMTOB-VQIMIIECSA-N	1	1	358.486	2.077	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)CC1	ZINC000245554526	548945703	/nfs/dbraw/zinc/94/57/03/548945703.db2.gz	HDNRQXQFTMMTOB-VQIMIIECSA-N	1	1	358.486	2.077	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000245731901	548984258	/nfs/dbraw/zinc/98/42/58/548984258.db2.gz	CKXUCVHNHMWWOU-HOCLYGCPSA-N	1	1	372.494	2.424	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000245882510	549009084	/nfs/dbraw/zinc/00/90/84/549009084.db2.gz	NXBYSVKMSBRDTF-QFBILLFUSA-N	1	1	358.461	2.266	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000246187426	549072281	/nfs/dbraw/zinc/07/22/81/549072281.db2.gz	RXWLUPFGIWZQGB-DOTOQJQBSA-N	1	1	366.469	2.412	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000246228478	549084909	/nfs/dbraw/zinc/08/49/09/549084909.db2.gz	CAURIPBMMCPHKF-LPHOPBHVSA-N	1	1	356.470	2.072	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000246228478	549084912	/nfs/dbraw/zinc/08/49/12/549084912.db2.gz	CAURIPBMMCPHKF-LPHOPBHVSA-N	1	1	356.470	2.072	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1	ZINC000246778643	549210030	/nfs/dbraw/zinc/21/00/30/549210030.db2.gz	PWVZQKLQHQLJRN-ICSRJNTNSA-N	1	1	369.513	2.138	20	30		FEEDMO
C[N@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000247023897	549267815	/nfs/dbraw/zinc/26/78/15/549267815.db2.gz	LZTFOYCDPFYTQO-NSYGIPOTSA-N	1	1	358.463	2.167	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(C)=O)C1	ZINC000247179880	549295365	/nfs/dbraw/zinc/29/53/65/549295365.db2.gz	YCAVZBUUPXQEET-NVXWUHKLSA-N	1	1	363.527	2.451	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(C#N)c(F)c2)C1	ZINC000489128078	561404077	/nfs/dbraw/zinc/40/40/77/561404077.db2.gz	XFCQUULXDHRUCH-OKILXGFUSA-N	1	1	353.463	2.344	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000247595688	549365271	/nfs/dbraw/zinc/36/52/71/549365271.db2.gz	OFPYSFZMIWSOCN-ZWKOTPCHSA-N	1	1	370.497	2.397	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2	ZINC000248497090	549450518	/nfs/dbraw/zinc/45/05/18/549450518.db2.gz	LPXMXULMOHYGJZ-GOEBONIOSA-N	1	1	359.470	2.038	20	30		FEEDMO
C=C[C@H]1CCCC[N@H+]1CC(=O)NCc1ccccc1CN1CCOCC1	ZINC000489404242	561410129	/nfs/dbraw/zinc/41/01/29/561410129.db2.gz	ONHBRQDDLYLWQF-FQEVSTJZSA-N	1	1	357.498	2.176	20	30		FEEDMO
C=CCCCS(=O)(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000489548324	561414075	/nfs/dbraw/zinc/41/40/75/561414075.db2.gz	GGTCLYRMCOZESB-KRWDZBQOSA-N	1	1	351.516	2.083	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2CO)c1C#N	ZINC000248904792	549526039	/nfs/dbraw/zinc/52/60/39/549526039.db2.gz	HUULKQCNAWLDDT-SCLBCKFNSA-N	1	1	370.453	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2CO)c1C#N	ZINC000248904792	549526040	/nfs/dbraw/zinc/52/60/40/549526040.db2.gz	HUULKQCNAWLDDT-SCLBCKFNSA-N	1	1	370.453	2.259	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000249819313	549631278	/nfs/dbraw/zinc/63/12/78/549631278.db2.gz	MONONSRNRZBOBT-GPMSIDNRSA-N	1	1	356.470	2.070	20	30		FEEDMO
COC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)O1	ZINC000252001453	549660866	/nfs/dbraw/zinc/66/08/66/549660866.db2.gz	WQAUSQGIJJSALS-STQMWFEESA-N	1	1	363.483	2.173	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)O1	ZINC000252001453	549660870	/nfs/dbraw/zinc/66/08/70/549660870.db2.gz	WQAUSQGIJJSALS-STQMWFEESA-N	1	1	363.483	2.173	20	30		FEEDMO
CC[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000252733895	549678663	/nfs/dbraw/zinc/67/86/63/549678663.db2.gz	SYBPTQYLERBKEK-VQIMIIECSA-N	1	1	358.461	2.266	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](N2CCOCC2)[C@@H](CC)C1	ZINC000490415573	561432683	/nfs/dbraw/zinc/43/26/83/561432683.db2.gz	KGNCRKPHAGZDPA-TYPHKJRUSA-N	1	1	374.525	2.197	20	30		FEEDMO
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)nc1	ZINC000263647050	549912662	/nfs/dbraw/zinc/91/26/62/549912662.db2.gz	AKZYLPJSRHEHOW-HKUYNNGSSA-N	1	1	368.462	2.258	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+](CC)Cc2cnn(C)c2)c(OC)c1	ZINC000263692952	549920879	/nfs/dbraw/zinc/92/08/79/549920879.db2.gz	LQTYDGFNEYZUSR-SFHVURJKSA-N	1	1	359.470	2.419	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000263721579	549925642	/nfs/dbraw/zinc/92/56/42/549925642.db2.gz	OORGTACNVVKLPR-QGZVFWFLSA-N	1	1	372.469	2.021	20	30		FEEDMO
CC(=O)Nc1ccc(S(=O)(=O)CCCO[NH+]=C(N)C2CCCC2)cc1	ZINC000265091763	550005862	/nfs/dbraw/zinc/00/58/62/550005862.db2.gz	AKUUIXWREUXWAY-UHFFFAOYSA-N	1	1	367.471	2.288	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCNC(=O)NC2(c3cccc(C#N)c3)CC2)C[C@H](C)O1	ZINC000269664726	550215363	/nfs/dbraw/zinc/21/53/63/550215363.db2.gz	KNSPTAGQMGZEFK-IYBDPMFKSA-N	1	1	356.470	2.346	20	30		FEEDMO
CC(C)[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)N1CC[NH+](C)CC1	ZINC000269687955	550216694	/nfs/dbraw/zinc/21/66/94/550216694.db2.gz	NYVJOTNKAPQVSC-IBGZPJMESA-N	1	1	369.513	2.119	20	30		FEEDMO
COCC1(O)CC[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1	ZINC000270406759	550269808	/nfs/dbraw/zinc/26/98/08/550269808.db2.gz	WMKULUPQKDSQKU-GOSISDBHSA-N	1	1	373.497	2.412	20	30		FEEDMO
N#CCc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1	ZINC000270810420	550309343	/nfs/dbraw/zinc/30/93/43/550309343.db2.gz	GYEJJWABDOYKKB-SFTDATJTSA-N	1	1	363.461	2.365	20	30		FEEDMO
CC(C)[NH+]1CCN(C2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1	ZINC000270821795	550310595	/nfs/dbraw/zinc/31/05/95/550310595.db2.gz	BKGZYNSMYFNLGB-UHFFFAOYSA-N	1	1	354.498	2.118	20	30		FEEDMO
Cc1[nH+]ccn1CCCON=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000271194435	550351183	/nfs/dbraw/zinc/35/11/83/550351183.db2.gz	GZYGDLHCJPXFJT-ZDUSSCGKSA-N	1	1	353.467	2.373	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)Nc2cc(C)n(CCC#N)n2)CC[N@H+]1CCOC	ZINC000272041141	550418333	/nfs/dbraw/zinc/41/83/33/550418333.db2.gz	FVOJSCYNYFZRAD-MRXNPFEDSA-N	1	1	362.478	2.070	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1	ZINC000272361856	550441096	/nfs/dbraw/zinc/44/10/96/550441096.db2.gz	SGZFUWCDVGSGKK-MAUKXSAKSA-N	1	1	357.454	2.133	20	30		FEEDMO
N#Cc1ccnc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-]	ZINC000273185052	550488868	/nfs/dbraw/zinc/48/88/68/550488868.db2.gz	MEMSQHZUKHYHNM-INIZCTEOSA-N	1	1	353.382	2.040	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000273252979	550491840	/nfs/dbraw/zinc/49/18/40/550491840.db2.gz	VFXJRCPFIFDAEC-KRWDZBQOSA-N	1	1	353.382	2.040	20	30		FEEDMO
C[C@@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)N1CC[NH+](C)CC1	ZINC000273544630	550502608	/nfs/dbraw/zinc/50/26/08/550502608.db2.gz	UKTWDSLCXMOITB-FZMZJTMJSA-N	1	1	355.269	2.310	20	30		FEEDMO
C=CCC[C@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1ccccc1	ZINC000275347912	550571989	/nfs/dbraw/zinc/57/19/89/550571989.db2.gz	RXIXHGVSMRDGRV-IBGZPJMESA-N	1	1	357.498	2.405	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C1=CC[N@@H+](C)CC1	ZINC000276158499	550577295	/nfs/dbraw/zinc/57/72/95/550577295.db2.gz	ROGLNSFJRAYNJQ-HNNXBMFYSA-N	1	1	370.453	2.074	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO	ZINC000276188582	550577359	/nfs/dbraw/zinc/57/73/59/550577359.db2.gz	LKFXPGVWDZPFRT-SOUVJXGZSA-N	1	1	365.499	2.083	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO	ZINC000276188582	550577360	/nfs/dbraw/zinc/57/73/60/550577360.db2.gz	LKFXPGVWDZPFRT-SOUVJXGZSA-N	1	1	365.499	2.083	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2C[C@H](CO)C[C@@H](OCCOC)C2)cc1OC	ZINC000278647752	550807600	/nfs/dbraw/zinc/80/76/00/550807600.db2.gz	JNGAYBZKMCIJJE-QZTJIDSGSA-N	1	1	365.470	2.106	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1	ZINC000280045014	550955727	/nfs/dbraw/zinc/95/57/27/550955727.db2.gz	LTFSBDBKLDCHCK-GOSISDBHSA-N	1	1	357.454	2.346	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1	ZINC000280045014	550955729	/nfs/dbraw/zinc/95/57/29/550955729.db2.gz	LTFSBDBKLDCHCK-GOSISDBHSA-N	1	1	357.454	2.346	20	30		FEEDMO
C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCOC2)O1	ZINC000280333342	550981845	/nfs/dbraw/zinc/98/18/45/550981845.db2.gz	HUOBDUJBMNNMEH-UGSOOPFHSA-N	1	1	363.845	2.420	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@](C)(C(N)=O)C1	ZINC000280662310	551018880	/nfs/dbraw/zinc/01/88/80/551018880.db2.gz	FGYQNHSKXACTAH-ACJLOTCBSA-N	1	1	360.483	2.217	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@](C)(C(N)=O)C1	ZINC000280662310	551018881	/nfs/dbraw/zinc/01/88/81/551018881.db2.gz	FGYQNHSKXACTAH-ACJLOTCBSA-N	1	1	360.483	2.217	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000280981141	551051593	/nfs/dbraw/zinc/05/15/93/551051593.db2.gz	DAXMPDQRMHVQNY-APWZRJJASA-N	1	1	353.422	2.073	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)C1=O	ZINC000281386122	551091063	/nfs/dbraw/zinc/09/10/63/551091063.db2.gz	PLSAKQAHYROBMU-GJZGRUSLSA-N	1	1	371.250	2.340	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)C1=O	ZINC000281386122	551091065	/nfs/dbraw/zinc/09/10/65/551091065.db2.gz	PLSAKQAHYROBMU-GJZGRUSLSA-N	1	1	371.250	2.340	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000281414069	551094103	/nfs/dbraw/zinc/09/41/03/551094103.db2.gz	MZFMOWMODBCMQN-ZVDOUQERSA-N	1	1	358.482	2.375	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000281414069	551094105	/nfs/dbraw/zinc/09/41/05/551094105.db2.gz	MZFMOWMODBCMQN-ZVDOUQERSA-N	1	1	358.482	2.375	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)CC2)o1	ZINC000281531329	551109495	/nfs/dbraw/zinc/10/94/95/551109495.db2.gz	HVYMGMFFJCFQEZ-QGZVFWFLSA-N	1	1	371.485	2.204	20	30		FEEDMO
CC[N@H+](CCOCCO)CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000281973624	551164440	/nfs/dbraw/zinc/16/44/40/551164440.db2.gz	HCICKXCAZKLDCY-UHFFFAOYSA-N	1	1	365.499	2.158	20	30		FEEDMO
CC[N@@H+](CCOCCO)CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000281973624	551164442	/nfs/dbraw/zinc/16/44/42/551164442.db2.gz	HCICKXCAZKLDCY-UHFFFAOYSA-N	1	1	365.499	2.158	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)C1=O	ZINC000282027845	551171570	/nfs/dbraw/zinc/17/15/70/551171570.db2.gz	PTZMRZQGZRPBHU-LJQANCHMSA-N	1	1	359.470	2.003	20	30		FEEDMO
COc1cc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)ccc1C#N	ZINC000282482561	551235028	/nfs/dbraw/zinc/23/50/28/551235028.db2.gz	WZTRJNQXTVLUSO-HKUYNNGSSA-N	1	1	371.460	2.345	20	30		FEEDMO
C[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000497839486	561509801	/nfs/dbraw/zinc/50/98/01/561509801.db2.gz	LWGFYAPJQDGTMS-LLVKDONJSA-N	1	1	356.348	2.107	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000283803062	551429615	/nfs/dbraw/zinc/42/96/15/551429615.db2.gz	AVFGNDMHUXLFHO-RBUKOAKNSA-N	1	1	368.481	2.038	20	30		FEEDMO
CCNC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1	ZINC000284725069	551617621	/nfs/dbraw/zinc/61/76/21/551617621.db2.gz	JXDDAMJQBZVJFI-SFHVURJKSA-N	1	1	356.470	2.314	20	30		FEEDMO
C[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1	ZINC000284776079	551630419	/nfs/dbraw/zinc/63/04/19/551630419.db2.gz	HPSXXHBAZQTCTM-LSDHHAIUSA-N	1	1	362.499	2.469	20	30		FEEDMO
C[N@H+]1CCN(CC(=O)Nc2sccc2C#N)C[C@H]1Cc1ccccc1	ZINC000284954537	551676508	/nfs/dbraw/zinc/67/65/08/551676508.db2.gz	ZKZFHWNQPSFVIN-QGZVFWFLSA-N	1	1	354.479	2.417	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000498850735	561535764	/nfs/dbraw/zinc/53/57/64/561535764.db2.gz	BRMMIVGUIUXHEF-MSOLQXFVSA-N	1	1	355.463	2.243	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC000498850735	561535765	/nfs/dbraw/zinc/53/57/65/561535765.db2.gz	BRMMIVGUIUXHEF-MSOLQXFVSA-N	1	1	355.463	2.243	20	30		FEEDMO
COCCCNC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000285518100	551768868	/nfs/dbraw/zinc/76/88/68/551768868.db2.gz	OPTNTYOIGFCLGL-AWEZNQCLSA-N	1	1	363.433	2.082	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@H]1C	ZINC000498941395	561538598	/nfs/dbraw/zinc/53/85/98/561538598.db2.gz	YZRKWIBSKGXARC-HZPDHXFCSA-N	1	1	366.469	2.097	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)S(C)(=O)=O	ZINC000285714465	551799784	/nfs/dbraw/zinc/79/97/84/551799784.db2.gz	UARBNZSEQHUIAJ-MRXNPFEDSA-N	1	1	354.903	2.295	20	30		FEEDMO
CN(C[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)S(C)(=O)=O	ZINC000285714465	551799786	/nfs/dbraw/zinc/79/97/86/551799786.db2.gz	UARBNZSEQHUIAJ-MRXNPFEDSA-N	1	1	354.903	2.295	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21	ZINC000286245804	551865325	/nfs/dbraw/zinc/86/53/25/551865325.db2.gz	ZTXUGQLFPYXOGB-RSPOEFSDSA-N	1	1	355.482	2.499	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1	ZINC000286294242	551870831	/nfs/dbraw/zinc/87/08/31/551870831.db2.gz	CEHZIFIRUSXSQQ-KGLIPLIRSA-N	1	1	355.360	2.380	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000288079886	552087159	/nfs/dbraw/zinc/08/71/59/552087159.db2.gz	HGNRYXIYPQZFTQ-PKOBYXMFSA-N	1	1	357.498	2.438	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](CCO)Cc2cccc(Br)c2)C1=O	ZINC000499717306	561556821	/nfs/dbraw/zinc/55/68/21/561556821.db2.gz	FGGHTEQCMZHKKG-OAHLLOKOSA-N	1	1	353.260	2.030	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](CCO)Cc2cccc(Br)c2)C1=O	ZINC000499717306	561556822	/nfs/dbraw/zinc/55/68/22/561556822.db2.gz	FGGHTEQCMZHKKG-OAHLLOKOSA-N	1	1	353.260	2.030	20	30		FEEDMO
C=CCn1c(=O)c2ccc(C(=O)N3CC[N@@H+](CC)C[C@H]3C)cc2[n-]c1=S	ZINC000288401721	552147534	/nfs/dbraw/zinc/14/75/34/552147534.db2.gz	LFWGYBLGFLYCTI-CYBMUJFWSA-N	1	1	372.494	2.037	20	30		FEEDMO
C=CCn1c(=O)c2ccc(C(=O)N3CC[N@H+](CC)C[C@H]3C)cc2[n-]c1=S	ZINC000288401721	552147536	/nfs/dbraw/zinc/14/75/36/552147536.db2.gz	LFWGYBLGFLYCTI-CYBMUJFWSA-N	1	1	372.494	2.037	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1	ZINC000288788706	552213073	/nfs/dbraw/zinc/21/30/73/552213073.db2.gz	KZSABNRVRRSVDB-OXQOHEQNSA-N	1	1	361.461	2.061	20	30		FEEDMO
C#Cc1ccc(C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1	ZINC000289176527	552278155	/nfs/dbraw/zinc/27/81/55/552278155.db2.gz	SIGAINPDJBKNCC-UHFFFAOYSA-N	1	1	364.474	2.055	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000289532842	552336549	/nfs/dbraw/zinc/33/65/49/552336549.db2.gz	DXGKHCLHNVHLMY-XJKSGUPXSA-N	1	1	367.852	2.233	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000289629929	552352314	/nfs/dbraw/zinc/35/23/14/552352314.db2.gz	ZPRUDNQACSOQOD-HNAYVOBHSA-N	1	1	370.478	2.142	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C)[C@@H](C)C1	ZINC000290321844	552460285	/nfs/dbraw/zinc/46/02/85/552460285.db2.gz	ZOFXRWOUKUCQEK-MAUKXSAKSA-N	1	1	368.485	2.432	20	30		FEEDMO
CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000290497744	552488442	/nfs/dbraw/zinc/48/84/42/552488442.db2.gz	UJWIWHYYGDWFBD-HUUCEWRRSA-N	1	1	360.458	2.153	20	30		FEEDMO
N#Cc1ccc(NCCCN2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-]	ZINC000290549553	552496711	/nfs/dbraw/zinc/49/67/11/552496711.db2.gz	JHCJSISRCKRBMM-UHFFFAOYSA-N	1	1	366.425	2.486	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1(C#N)CCCCC1	ZINC000292105772	552694440	/nfs/dbraw/zinc/69/44/40/552694440.db2.gz	GUJVJENDNNEILK-QGZVFWFLSA-N	1	1	367.453	2.091	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1(C#N)CCCCC1	ZINC000292105772	552694442	/nfs/dbraw/zinc/69/44/42/552694442.db2.gz	GUJVJENDNNEILK-QGZVFWFLSA-N	1	1	367.453	2.091	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc(=O)oc4cc(O)ccc34)C2)nc1	ZINC000292272554	552710999	/nfs/dbraw/zinc/71/09/99/552710999.db2.gz	SGYZJRAXOJQEFJ-INIZCTEOSA-N	1	1	363.373	2.419	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)COCc3cccs3)C2)nc1	ZINC000292375440	552720906	/nfs/dbraw/zinc/72/09/06/552720906.db2.gz	YWBXTHOQEMDWLK-HZPDHXFCSA-N	1	1	359.451	2.046	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000292857806	552765575	/nfs/dbraw/zinc/76/55/75/552765575.db2.gz	GPPLLIZSSYOLEV-SJORKVTESA-N	1	1	374.533	2.111	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+](CC)C[C@@H](O)COc1ccc(CCOC)cc1	ZINC000292916198	552771005	/nfs/dbraw/zinc/77/10/05/552771005.db2.gz	HTWOMLAVGRYYBL-RTBURBONSA-N	1	1	351.487	2.264	20	30		FEEDMO
C=CCC(C)(C)CNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000293308928	552810014	/nfs/dbraw/zinc/81/00/14/552810014.db2.gz	IKYJWPKOXJYRID-UHFFFAOYSA-N	1	1	372.513	2.486	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)C2(Cc3cccc(F)c3)CCOCC2)CC1	ZINC000293537368	552833380	/nfs/dbraw/zinc/83/33/80/552833380.db2.gz	XQGFNBUIRXSTLM-UHFFFAOYSA-N	1	1	358.457	2.333	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1	ZINC000293879848	552864880	/nfs/dbraw/zinc/86/48/80/552864880.db2.gz	COAUKCOHGRKPMI-UHFFFAOYSA-N	1	1	371.868	2.235	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000294342171	552898535	/nfs/dbraw/zinc/89/85/35/552898535.db2.gz	YNIAQCGTDDQXGD-KRWDZBQOSA-N	1	1	362.430	2.197	20	30		FEEDMO
Cc1cc(CNC(=O)C(=O)Nc2sccc2C#N)cc(N2CCCC2)[nH+]1	ZINC000295106699	552959432	/nfs/dbraw/zinc/95/94/32/552959432.db2.gz	WUJAPSJMSIVDOR-UHFFFAOYSA-N	1	1	369.450	2.178	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1	ZINC000295384066	552997742	/nfs/dbraw/zinc/99/77/42/552997742.db2.gz	HDAJTWKOQMWPOV-SFHVURJKSA-N	1	1	359.470	2.070	20	30		FEEDMO
N#C[C@]1(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC12CCCC2	ZINC000295721259	553049798	/nfs/dbraw/zinc/04/97/98/553049798.db2.gz	UHLPLUINPDKFHO-RXVVDRJESA-N	1	1	353.466	2.343	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)C1	ZINC000296112657	553106748	/nfs/dbraw/zinc/10/67/48/553106748.db2.gz	ATFWMCYXPZIMQT-JCGIZDLHSA-N	1	1	369.469	2.340	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)C1	ZINC000296112657	553106750	/nfs/dbraw/zinc/10/67/50/553106750.db2.gz	ATFWMCYXPZIMQT-JCGIZDLHSA-N	1	1	369.469	2.340	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)c3[nH+]ccn3c2)cc1	ZINC000502778292	561625236	/nfs/dbraw/zinc/62/52/36/561625236.db2.gz	PKQPAJYOIPXTHO-UHFFFAOYSA-N	1	1	370.434	2.359	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1	ZINC000502787365	561625556	/nfs/dbraw/zinc/62/55/56/561625556.db2.gz	HFYZHAKAQHFSNV-ZWKOTPCHSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1	ZINC000502787365	561625557	/nfs/dbraw/zinc/62/55/57/561625557.db2.gz	HFYZHAKAQHFSNV-ZWKOTPCHSA-N	1	1	367.511	2.054	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1	ZINC000296889386	553225685	/nfs/dbraw/zinc/22/56/85/553225685.db2.gz	MFIWJJDAVYTQOP-OAHLLOKOSA-N	1	1	371.485	2.286	20	30		FEEDMO
C#CCOc1ccc(CNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1	ZINC000297178271	553259771	/nfs/dbraw/zinc/25/97/71/553259771.db2.gz	WESVQHNPPXTHHW-KRWDZBQOSA-N	1	1	371.481	2.093	20	30		FEEDMO
Cc1nsc(NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N	ZINC000297343393	553280722	/nfs/dbraw/zinc/28/07/22/553280722.db2.gz	FIBQUKTVCPUPKZ-SCRDCRAPSA-N	1	1	363.487	2.429	20	30		FEEDMO
Cc1nsc(NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N	ZINC000297343393	553280724	/nfs/dbraw/zinc/28/07/24/553280724.db2.gz	FIBQUKTVCPUPKZ-SCRDCRAPSA-N	1	1	363.487	2.429	20	30		FEEDMO
N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1	ZINC000298726310	553464450	/nfs/dbraw/zinc/46/44/50/553464450.db2.gz	KIRXYDGUPVNUDH-ICSRJNTNSA-N	1	1	367.497	2.407	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000298766661	553470291	/nfs/dbraw/zinc/47/02/91/553470291.db2.gz	ZIHGRGWECWZOOY-VQIMIIECSA-N	1	1	357.502	2.190	20	30		FEEDMO
C[S@](=O)C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1	ZINC000299023292	553504863	/nfs/dbraw/zinc/50/48/63/553504863.db2.gz	REWYXRDNKPLUNF-ANSQWYIGSA-N	1	1	367.474	2.373	20	30		FEEDMO
Cc1nc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1C#N	ZINC000299073927	553511817	/nfs/dbraw/zinc/51/18/17/553511817.db2.gz	PPYLYEUAVQIQRA-UHFFFAOYSA-N	1	1	350.422	2.024	20	30		FEEDMO
C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000299204492	553530634	/nfs/dbraw/zinc/53/06/34/553530634.db2.gz	GBALTRMNCUFWPR-IUODEOHRSA-N	1	1	351.834	2.012	20	30		FEEDMO
C[C@@H](O)C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000299204492	553530635	/nfs/dbraw/zinc/53/06/35/553530635.db2.gz	GBALTRMNCUFWPR-IUODEOHRSA-N	1	1	351.834	2.012	20	30		FEEDMO
N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1	ZINC000504303840	561655955	/nfs/dbraw/zinc/65/59/55/561655955.db2.gz	VSPNLOIRQSZWPO-VQTJNVASSA-N	1	1	367.497	2.012	20	30		FEEDMO
Cc1cc(NC(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)ncc1C#N	ZINC000603117419	553711839	/nfs/dbraw/zinc/71/18/39/553711839.db2.gz	DTHBXHHLKNVWHI-UHFFFAOYSA-N	1	1	370.501	2.334	20	30		FEEDMO
C[C@H]1[C@H](NS(=O)(=O)c2ccccc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000310778474	553754295	/nfs/dbraw/zinc/75/42/95/553754295.db2.gz	OGQXOJRRJUCKKE-MAUKXSAKSA-N	1	1	355.463	2.500	20	30		FEEDMO
CO[C@H]1C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)N(C(C)=O)C1	ZINC000328619767	553797471	/nfs/dbraw/zinc/79/74/71/553797471.db2.gz	WGXKVASZXKFFAD-OKZBNKHCSA-N	1	1	351.491	2.376	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCc2c1cnn2C	ZINC000328660159	553803610	/nfs/dbraw/zinc/80/36/10/553803610.db2.gz	UXCVJXWLVMEBHW-INIZCTEOSA-N	1	1	363.506	2.002	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)C1	ZINC000328692876	553808219	/nfs/dbraw/zinc/80/82/19/553808219.db2.gz	JIFTZKCBXRGPRY-FGTMMUONSA-N	1	1	367.534	2.178	20	30		FEEDMO
Cc1nc(N2CCN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)CC2)sc1C	ZINC000328701582	553809304	/nfs/dbraw/zinc/80/93/04/553809304.db2.gz	WTCQNKMIOFGFAP-BLLLJJGKSA-N	1	1	363.531	2.279	20	30		FEEDMO
C[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](C)C1	ZINC000505786468	561680829	/nfs/dbraw/zinc/68/08/29/561680829.db2.gz	AOKNVVABLOWKRG-ZRGWGRIASA-N	1	1	351.491	2.485	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCC(=O)NC2CCCC2)CC1	ZINC000328755023	553817162	/nfs/dbraw/zinc/81/71/62/553817162.db2.gz	DYXVFRVWMYXXQB-GOSISDBHSA-N	1	1	364.534	2.294	20	30		FEEDMO
CC[C@@H]1CN(C(=O)CCC(=O)NC2CCCC2)C[C@@H]1[NH+]1CCOCC1	ZINC000328766827	553819256	/nfs/dbraw/zinc/81/92/56/553819256.db2.gz	HIQDOGYUBNKEDZ-WBVHZDCISA-N	1	1	351.491	2.235	20	30		FEEDMO
CCn1c2ccc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2[nH]c(=O)c1=O	ZINC000328939565	553848951	/nfs/dbraw/zinc/84/89/51/553848951.db2.gz	RZFHPSXAEUNGTN-HIFRSBDPSA-N	1	1	356.426	2.053	20	30		FEEDMO
C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1nc2c(s1)CCC2	ZINC000328979882	553857967	/nfs/dbraw/zinc/85/79/67/553857967.db2.gz	RFALCNRZXOTYEO-YEWDVWPNSA-N	1	1	365.499	2.472	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)C1	ZINC000328981360	553858062	/nfs/dbraw/zinc/85/80/62/553858062.db2.gz	DOWWAEYGMFWVBR-HLIPFELVSA-N	1	1	373.497	2.491	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC(=O)N1C	ZINC000328981653	553858110	/nfs/dbraw/zinc/85/81/10/553858110.db2.gz	DSJKNXQALNWJRB-HHXXYDBFSA-N	1	1	373.501	2.446	20	30		FEEDMO
O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCN2C(=O)CC[C@H]2C1	ZINC000329009871	553864103	/nfs/dbraw/zinc/86/41/03/553864103.db2.gz	DFKFFMWRRHXMLD-INIZCTEOSA-N	1	1	374.510	2.088	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C[C@H]1C	ZINC000329023421	553866289	/nfs/dbraw/zinc/86/62/89/553866289.db2.gz	ISEGCCINXVFJBE-IXDOHACOSA-N	1	1	360.506	2.082	20	30		FEEDMO
C[N@H+]1CC[C@H]2OCCN(CC(=O)Nc3nc4c(s3)CCCC4)[C@H]2C1	ZINC000329030505	553867835	/nfs/dbraw/zinc/86/78/35/553867835.db2.gz	PMPWIEHFQDQTCW-UONOGXRCSA-N	1	1	350.488	2.015	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)NCCC1=CCCCC1	ZINC000329114149	553882737	/nfs/dbraw/zinc/88/27/37/553882737.db2.gz	HNYXHBBIWUTZIZ-HXUWFJFHSA-N	1	1	363.502	2.283	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1)NCCC1=CCCCC1	ZINC000329114149	553882739	/nfs/dbraw/zinc/88/27/39/553882739.db2.gz	HNYXHBBIWUTZIZ-HXUWFJFHSA-N	1	1	363.502	2.283	20	30		FEEDMO
CC1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCCC1	ZINC000329229138	553907035	/nfs/dbraw/zinc/90/70/35/553907035.db2.gz	JDKQBOOHWMNLOE-MRXNPFEDSA-N	1	1	351.491	2.237	20	30		FEEDMO
C[C@H](NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O)C1=CC[N@@H+](C)CC1	ZINC000329250494	553910939	/nfs/dbraw/zinc/91/09/39/553910939.db2.gz	BAQBNUNRUPCPPT-WRSAYESZSA-N	1	1	363.462	2.048	20	30		FEEDMO
C[N@@H+](CCNC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1)C1CCCC1	ZINC000329264547	553913703	/nfs/dbraw/zinc/91/37/03/553913703.db2.gz	GTHARZJBODGSHS-INIZCTEOSA-N	1	1	365.522	2.045	20	30		FEEDMO
CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CC[NH+](CC3CC3)CC1)C2	ZINC000329274047	553914701	/nfs/dbraw/zinc/91/47/01/553914701.db2.gz	KFUVFYFUTOUAGR-INIZCTEOSA-N	1	1	359.518	2.437	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCCN(C(=O)c2ccsc2)CC1	ZINC000329327740	553925825	/nfs/dbraw/zinc/92/58/25/553925825.db2.gz	XKNBEPLIUILGJS-OAHLLOKOSA-N	1	1	362.499	2.047	20	30		FEEDMO
C[C@@H](NC(=O)NCc1ccccc1N1CCOCC1)C1=CC[N@@H+](C)CC1	ZINC000329342327	553928756	/nfs/dbraw/zinc/92/87/56/553928756.db2.gz	PNGRNHXQBBNSCF-MRXNPFEDSA-N	1	1	358.486	2.177	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1	ZINC000329366951	553933050	/nfs/dbraw/zinc/93/30/50/553933050.db2.gz	KRFJPQQLQFVJLA-IBGZPJMESA-N	1	1	372.513	2.309	20	30		FEEDMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCn2cncc2C1	ZINC000329364217	553933390	/nfs/dbraw/zinc/93/33/90/553933390.db2.gz	JMBAIYNNMIRAMW-SFHVURJKSA-N	1	1	354.454	2.434	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000329400029	553938878	/nfs/dbraw/zinc/93/88/78/553938878.db2.gz	YNTKRJRTVAKFQK-BKVYSMKUSA-N	1	1	374.529	2.250	20	30		FEEDMO
CC1=CC[N@@H+](CCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000506662200	561705193	/nfs/dbraw/zinc/70/51/93/561705193.db2.gz	QKEITLQFMWGTJM-UHFFFAOYSA-N	1	1	368.481	2.482	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](c4nnc[nH]4)C3)C2=O)cc1	ZINC000329468900	553952677	/nfs/dbraw/zinc/95/26/77/553952677.db2.gz	XRJFOKSYGYOBDV-NVXWUHKLSA-N	1	1	350.426	2.051	20	30		FEEDMO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[NH+](C4CC4)CC3)n2)c(Cl)c1	ZINC000329474920	553953651	/nfs/dbraw/zinc/95/36/51/553953651.db2.gz	SXENPLNHXWXIDZ-UHFFFAOYSA-N	1	1	370.844	2.709	20	30		FEEDMO
Cc1cc(N2C[C@@H](C(=O)NCC[NH+]3CCSCC3)CC2=O)ccc1F	ZINC000329531830	553962782	/nfs/dbraw/zinc/96/27/82/553962782.db2.gz	WSGNJGOPXBKCNR-AWEZNQCLSA-N	1	1	365.474	2.492	20	30		FEEDMO
CCCn1cc(C[N@H+]2CCCN(C(=O)NC[C@]3(C)CCOC3)CC2)cn1	ZINC000329558387	553967533	/nfs/dbraw/zinc/96/75/33/553967533.db2.gz	IBJAPKNQCGEWFU-IBGZPJMESA-N	1	1	363.506	2.141	20	30		FEEDMO
CCCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@]3(C)CCOC3)CC2)cn1	ZINC000329558387	553967529	/nfs/dbraw/zinc/96/75/29/553967529.db2.gz	IBJAPKNQCGEWFU-IBGZPJMESA-N	1	1	363.506	2.141	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2ccc3c(C)nn(C)c3c2)C[C@H]1[NH+]1CCOCC1	ZINC000329610433	553976220	/nfs/dbraw/zinc/97/62/20/553976220.db2.gz	JKKPIWBLYWUZEO-HNAYVOBHSA-N	1	1	371.485	2.470	20	30		FEEDMO
CC(C)N1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1=O	ZINC000329689508	553989180	/nfs/dbraw/zinc/98/91/80/553989180.db2.gz	BEKCVNRQFVMSLH-JKSUJKDBSA-N	1	1	350.507	2.106	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCC(=O)N(C)C1CCCCC1	ZINC000329691524	553989865	/nfs/dbraw/zinc/98/98/65/553989865.db2.gz	DMMSKQLHAUWBOX-WBVHZDCISA-N	1	1	350.507	2.250	20	30		FEEDMO
Cc1c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cnn1C1CCCCC1	ZINC000329713459	553993742	/nfs/dbraw/zinc/99/37/42/553993742.db2.gz	RNHJLDCNVGCYGC-IBGZPJMESA-N	1	1	364.490	2.085	20	30		FEEDMO
Cc1nc([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)sc1C	ZINC000329734016	553997159	/nfs/dbraw/zinc/99/71/59/553997159.db2.gz	KAHQIKQFACDGJP-HZPDHXFCSA-N	1	1	365.547	2.099	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1)[NH+]1CCOCC1	ZINC000329740113	553997712	/nfs/dbraw/zinc/99/77/12/553997712.db2.gz	VFGDESWRGLHTCI-BZSNNMDCSA-N	1	1	365.518	2.291	20	30		FEEDMO
CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1	ZINC000329765250	554001776	/nfs/dbraw/zinc/00/17/76/554001776.db2.gz	WTSXDEJRSBRJTA-SJORKVTESA-N	1	1	353.507	2.171	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)NCc1ccc2c(c1)OCO2	ZINC000329767013	554002247	/nfs/dbraw/zinc/00/22/47/554002247.db2.gz	YWHNITGICFSWKP-INIZCTEOSA-N	1	1	373.453	2.206	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)C1	ZINC000329792316	554007144	/nfs/dbraw/zinc/00/71/44/554007144.db2.gz	FKCPTRGCAVAWAA-QZTJIDSGSA-N	1	1	364.534	2.213	20	30		FEEDMO
CC1(C)[C@H](NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)[C@@H]2CCCO[C@@H]21	ZINC000329814780	554010841	/nfs/dbraw/zinc/01/08/41/554010841.db2.gz	USGPGDNDLQTLAR-XDNAFOTISA-N	1	1	365.518	2.291	20	30		FEEDMO
C[C@H](CNC(=O)N[C@H]1CCc2c[nH]nc2C1)[N@H+]1CCc2ccccc2C1	ZINC000329816249	554011459	/nfs/dbraw/zinc/01/14/59/554011459.db2.gz	DWQVPLRBWGLYCO-KDOFPFPSSA-N	1	1	353.470	2.217	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1	ZINC000329867930	554021977	/nfs/dbraw/zinc/02/19/77/554021977.db2.gz	WTPPNNAJJBRASV-JKIFEVAISA-N	1	1	372.494	2.271	20	30		FEEDMO
CC(C)N1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1=O	ZINC000329894448	554026582	/nfs/dbraw/zinc/02/65/82/554026582.db2.gz	BIQFPNNCMUHIQT-ZWKOTPCHSA-N	1	1	358.486	2.021	20	30		FEEDMO
CC(C)c1nnc([C@@H]2CN(C(=O)NCC[N@H+]3CCC[C@@H](C)C3)CCO2)o1	ZINC000329905339	554028882	/nfs/dbraw/zinc/02/88/82/554028882.db2.gz	JNJUBPANBVGGMG-CABCVRRESA-N	1	1	365.478	2.212	20	30		FEEDMO
CCO[C@@H]1C[C@](O)(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1(C)C	ZINC000329948582	554037348	/nfs/dbraw/zinc/03/73/48/554037348.db2.gz	ZFBUXWWLQTWHEJ-OKMQIQTRSA-N	1	1	353.507	2.071	20	30		FEEDMO
CN1CCO[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@H]21	ZINC000329964490	554040399	/nfs/dbraw/zinc/04/03/99/554040399.db2.gz	QOFTVZOAFLBVKJ-HUUCEWRRSA-N	1	1	360.483	2.101	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1	ZINC000329965078	554040545	/nfs/dbraw/zinc/04/05/45/554040545.db2.gz	QXOSPESUDMBNRI-OREBXVKISA-N	1	1	353.507	2.147	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CCSC1	ZINC000329984330	554043778	/nfs/dbraw/zinc/04/37/78/554043778.db2.gz	QFCJMDILZGUKOE-NUEKZKHPSA-N	1	1	351.520	2.154	20	30		FEEDMO
CCN1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C[C@@H]1c1ncc[nH]1	ZINC000329999609	554047050	/nfs/dbraw/zinc/04/70/50/554047050.db2.gz	VAJYDPQYILYLCY-IAGOWNOFSA-N	1	1	362.522	2.123	20	30		FEEDMO
Cc1nc2ccnn2c(C)c1C(=O)NC1CCN(c2[nH+]ccn2C)CC1	ZINC000330080057	554061293	/nfs/dbraw/zinc/06/12/93/554061293.db2.gz	JBFMBMJOKIDDTH-UHFFFAOYSA-N	1	1	353.430	2.053	20	30		FEEDMO
CN1CCN(C)[C@H](CNC(=O)Nc2cc(F)ccc2OCC2CC2)C1	ZINC000330101306	554064632	/nfs/dbraw/zinc/06/46/32/554064632.db2.gz	FJUUHQOMWHZBAC-OAHLLOKOSA-N	1	1	350.438	2.186	20	30		FEEDMO
C[C@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1	ZINC000330182581	554080234	/nfs/dbraw/zinc/08/02/34/554080234.db2.gz	PAZFEERKDYXRHO-VLXJIEOASA-N	1	1	368.441	2.388	20	30		FEEDMO
CC(C)(C)S(=O)(=O)N1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1	ZINC000330221417	554087372	/nfs/dbraw/zinc/08/73/72/554087372.db2.gz	LRLRLRPXTQVISL-HNNXBMFYSA-N	1	1	357.520	2.162	20	30		FEEDMO
C[C@@H]1C[C@H](CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CCO1	ZINC000330231921	554089996	/nfs/dbraw/zinc/08/99/96/554089996.db2.gz	RGCNYJWKDIFREZ-BRWVUGGUSA-N	1	1	353.507	2.291	20	30		FEEDMO
CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@@H](C)C[NH+]1CCOCC1	ZINC000330277492	554098286	/nfs/dbraw/zinc/09/82/86/554098286.db2.gz	OITUUZPNLMXATF-SJORKVTESA-N	1	1	363.506	2.312	20	30		FEEDMO
Cc1c([C@@H]2[C@H](C(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC(=O)N2C)cnn1C	ZINC000330289042	554100351	/nfs/dbraw/zinc/10/03/51/554100351.db2.gz	DNLVAHLYYVKACX-JOQOYGCGSA-N	1	1	361.490	2.079	20	30		FEEDMO
Cn1cc(-c2ncc(C(=O)NC3CCN(c4[nH+]ccn4C)CC3)s2)cn1	ZINC000330306109	554102848	/nfs/dbraw/zinc/10/28/48/554102848.db2.gz	RERXODRIDKCLNV-UHFFFAOYSA-N	1	1	371.470	2.251	20	30		FEEDMO
COC(=O)c1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc(C)c1C	ZINC000330714420	554161960	/nfs/dbraw/zinc/16/19/60/554161960.db2.gz	XJRFMFSVDPDRFO-KBPBESRZSA-N	1	1	363.458	2.022	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C[N@H+]3CCC[C@H](C)C3)cc2C1=O	ZINC000508312288	561758422	/nfs/dbraw/zinc/75/84/22/561758422.db2.gz	DEIKHNQZDSXXNY-GJZGRUSLSA-N	1	1	369.465	2.319	20	30		FEEDMO
COCCOc1cc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)ccc1OC	ZINC000330867729	554181007	/nfs/dbraw/zinc/18/10/07/554181007.db2.gz	ABCBDKFKRRUFIB-KGLIPLIRSA-N	1	1	351.447	2.290	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1	ZINC000330898106	554184767	/nfs/dbraw/zinc/18/47/67/554184767.db2.gz	OUFNKCZNSUZMBA-NWDGAFQWSA-N	1	1	357.380	2.368	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)CC1	ZINC000330972680	554195717	/nfs/dbraw/zinc/19/57/17/554195717.db2.gz	NFQZIZQIMZGWFA-LSDHHAIUSA-N	1	1	374.451	2.342	20	30		FEEDMO
CCS[C@@H]1CCC[C@@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1	ZINC000331134517	554219371	/nfs/dbraw/zinc/21/93/71/554219371.db2.gz	CJRCFJJOSHNRCT-HZPDHXFCSA-N	1	1	370.563	2.107	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(Cl)ccc2N(C)C)[C@H](C)C1	ZINC000331192420	554228917	/nfs/dbraw/zinc/22/89/17/554228917.db2.gz	RMOQMCDFUYEGRJ-OLZOCXBDSA-N	1	1	354.882	2.338	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c(C#N)cc1N(C)C	ZINC000331250396	554236451	/nfs/dbraw/zinc/23/64/51/554236451.db2.gz	YUWOVHHQBLJBRX-HNNXBMFYSA-N	1	1	373.501	2.242	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CN2CCCCC2=O)CC1	ZINC000331294373	554242862	/nfs/dbraw/zinc/24/28/62/554242862.db2.gz	MEFJYYFKRNTEOA-JXFKEZNVSA-N	1	1	362.518	2.154	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1Cl	ZINC000331375376	554253447	/nfs/dbraw/zinc/25/34/47/554253447.db2.gz	KNWLLFFAOFQFHR-OAHLLOKOSA-N	1	1	374.872	2.485	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1Cl	ZINC000331375376	554253449	/nfs/dbraw/zinc/25/34/49/554253449.db2.gz	KNWLLFFAOFQFHR-OAHLLOKOSA-N	1	1	374.872	2.485	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1	ZINC000332077868	554375420	/nfs/dbraw/zinc/37/54/20/554375420.db2.gz	HEHLNNUCZLZYGK-HOTGVXAUSA-N	1	1	357.454	2.037	20	30		FEEDMO
Cc1cccc([C@@H]2CC[N@H+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)c1	ZINC000332667963	554493842	/nfs/dbraw/zinc/49/38/42/554493842.db2.gz	MJCGOAHHJNOCSB-NHCUHLMSSA-N	1	1	368.525	2.477	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N=c1[nH]n(C)cc1C#N	ZINC000610562089	554529074	/nfs/dbraw/zinc/52/90/74/554529074.db2.gz	ILVGAZQZIKGDGR-HNNXBMFYSA-N	1	1	352.442	2.420	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N=c1[nH]n(C)cc1C#N	ZINC000610562089	554529079	/nfs/dbraw/zinc/52/90/79/554529079.db2.gz	ILVGAZQZIKGDGR-HNNXBMFYSA-N	1	1	352.442	2.420	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1=O	ZINC000510587908	561839771	/nfs/dbraw/zinc/83/97/71/561839771.db2.gz	AIVSSWIRPGVASZ-VQTJNVASSA-N	1	1	369.509	2.377	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCC[C@H](NC(=O)CCCc3ccccc3)C2)C1=O	ZINC000510587908	561839772	/nfs/dbraw/zinc/83/97/72/561839772.db2.gz	AIVSSWIRPGVASZ-VQTJNVASSA-N	1	1	369.509	2.377	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1)C1CC1	ZINC000332890260	554537750	/nfs/dbraw/zinc/53/77/50/554537750.db2.gz	IOHWKLKAXNXALB-ZBEGNZNMSA-N	1	1	369.391	2.416	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1)C1CC1	ZINC000332890260	554537752	/nfs/dbraw/zinc/53/77/52/554537752.db2.gz	IOHWKLKAXNXALB-ZBEGNZNMSA-N	1	1	369.391	2.416	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1)C1CC1	ZINC000332890250	554537870	/nfs/dbraw/zinc/53/78/70/554537870.db2.gz	IOHWKLKAXNXALB-BZNIZROVSA-N	1	1	369.391	2.416	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1)C1CC1	ZINC000332890250	554537871	/nfs/dbraw/zinc/53/78/71/554537871.db2.gz	IOHWKLKAXNXALB-BZNIZROVSA-N	1	1	369.391	2.416	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O	ZINC000348512048	554687551	/nfs/dbraw/zinc/68/75/51/554687551.db2.gz	NDDHHQMYUGPATG-NXHRZFHOSA-N	1	1	357.454	2.163	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)C2)CC1	ZINC000360853152	554892499	/nfs/dbraw/zinc/89/24/99/554892499.db2.gz	XMHAXDUWPQXPPU-ICSRJNTNSA-N	1	1	369.513	2.499	20	30		FEEDMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)C2)CC1	ZINC000360853152	554892502	/nfs/dbraw/zinc/89/25/02/554892502.db2.gz	XMHAXDUWPQXPPU-ICSRJNTNSA-N	1	1	369.513	2.499	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2)CC1	ZINC000360853146	554892690	/nfs/dbraw/zinc/89/26/90/554892690.db2.gz	XMHAXDUWPQXPPU-AZUAARDMSA-N	1	1	369.513	2.499	20	30		FEEDMO
C[NH+]1CCC(N2CC[C@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2)CC1	ZINC000360853146	554892691	/nfs/dbraw/zinc/89/26/91/554892691.db2.gz	XMHAXDUWPQXPPU-AZUAARDMSA-N	1	1	369.513	2.499	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1	ZINC000361630450	554927200	/nfs/dbraw/zinc/92/72/00/554927200.db2.gz	YJQLVVVUHOYRKH-MRXNPFEDSA-N	1	1	363.421	2.242	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)cc1	ZINC000361630450	554927202	/nfs/dbraw/zinc/92/72/02/554927202.db2.gz	YJQLVVVUHOYRKH-MRXNPFEDSA-N	1	1	363.421	2.242	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000361731781	554931825	/nfs/dbraw/zinc/93/18/25/554931825.db2.gz	BTOFMYAVYDMCRQ-OAGGEKHMSA-N	1	1	364.490	2.221	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000361731781	554931827	/nfs/dbraw/zinc/93/18/27/554931827.db2.gz	BTOFMYAVYDMCRQ-OAGGEKHMSA-N	1	1	364.490	2.221	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@@H](O)COCc1ccccc1	ZINC000511618785	561874792	/nfs/dbraw/zinc/87/47/92/561874792.db2.gz	SQBXEROOQBSLHM-QGZVFWFLSA-N	1	1	373.478	2.458	20	30		FEEDMO
C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[N@@H+]1C1CCN(C)CC1	ZINC000362323249	554963587	/nfs/dbraw/zinc/96/35/87/554963587.db2.gz	AATZKIUAVBMNIF-MRXNPFEDSA-N	1	1	353.514	2.437	20	30		FEEDMO
C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[N@H+]1C1CCN(C)CC1	ZINC000362323249	554963588	/nfs/dbraw/zinc/96/35/88/554963588.db2.gz	AATZKIUAVBMNIF-MRXNPFEDSA-N	1	1	353.514	2.437	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)COc3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000362431162	554971701	/nfs/dbraw/zinc/97/17/01/554971701.db2.gz	SRGPXNDVGZADKE-CALCHBBNSA-N	1	1	371.481	2.285	20	30		FEEDMO
C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1	ZINC000362997244	555006514	/nfs/dbraw/zinc/00/65/14/555006514.db2.gz	JZTWSABDKQWGCE-INIZCTEOSA-N	1	1	374.448	2.448	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+](Cc2cccc3c2OCCO3)CC1	ZINC000363199826	555052093	/nfs/dbraw/zinc/05/20/93/555052093.db2.gz	ZNFOXNMEIXZUBD-UHFFFAOYSA-N	1	1	350.422	2.437	20	30		FEEDMO
C[N@H+]1CCCN(CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000615493785	555205654	/nfs/dbraw/zinc/20/56/54/555205654.db2.gz	UFXZMHQOBMDKRV-UHFFFAOYSA-N	1	1	368.441	2.454	20	30		FEEDMO
CN1CCC[N@H+](CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000615493785	555205657	/nfs/dbraw/zinc/20/56/57/555205657.db2.gz	UFXZMHQOBMDKRV-UHFFFAOYSA-N	1	1	368.441	2.454	20	30		FEEDMO
CN1CCC[N@@H+](CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000615493785	555205660	/nfs/dbraw/zinc/20/56/60/555205660.db2.gz	UFXZMHQOBMDKRV-UHFFFAOYSA-N	1	1	368.441	2.454	20	30		FEEDMO
CC(C)(O)C[N@H+]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)CC1	ZINC000364618657	555354372	/nfs/dbraw/zinc/35/43/72/555354372.db2.gz	YPDBECMCSPHCDO-UHFFFAOYSA-N	1	1	373.497	2.413	20	30		FEEDMO
C[C@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1F	ZINC000512635650	561910719	/nfs/dbraw/zinc/91/07/19/561910719.db2.gz	HTDYDAWUNFHDHU-AAEUAGOBSA-N	1	1	368.455	2.244	20	30		FEEDMO
C=CCc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc(OC)c1OC	ZINC000364742406	555391333	/nfs/dbraw/zinc/39/13/33/555391333.db2.gz	KVNJMMIOPILSNE-ROUUACIJSA-N	1	1	374.481	2.104	20	30		FEEDMO
CCc1nccc([C@H]2CCC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)n1	ZINC000364755755	555394540	/nfs/dbraw/zinc/39/45/40/555394540.db2.gz	CISUZCGYOYOLRG-SFHVURJKSA-N	1	1	363.465	2.406	20	30		FEEDMO
CCc1nccc([C@H]2CCC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)n1	ZINC000364755755	555394545	/nfs/dbraw/zinc/39/45/45/555394545.db2.gz	CISUZCGYOYOLRG-SFHVURJKSA-N	1	1	363.465	2.406	20	30		FEEDMO
C=CCOCCNC(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1	ZINC000365012647	555464519	/nfs/dbraw/zinc/46/45/19/555464519.db2.gz	ASWLSXGULDBAPO-UHFFFAOYSA-N	1	1	352.504	2.165	20	30		FEEDMO
CC(C)(CCC#N)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000513112935	561925936	/nfs/dbraw/zinc/92/59/36/561925936.db2.gz	HMNCFNBFBVRWLY-RTBURBONSA-N	1	1	372.513	2.499	20	30		FEEDMO
COC(=O)C[C@](C)([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(F)c1	ZINC000513127375	561926239	/nfs/dbraw/zinc/92/62/39/561926239.db2.gz	HGVYYAYKLYXDRL-OALUTQOASA-N	1	1	361.417	2.002	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](C)C1CCN(c2ncccn2)CC1	ZINC000365819207	555674807	/nfs/dbraw/zinc/67/48/07/555674807.db2.gz	FGDSEDGEIUNLGM-UHFFFAOYSA-N	1	1	367.453	2.336	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)sc2c1CCCCC2	ZINC000366437179	555843052	/nfs/dbraw/zinc/84/30/52/555843052.db2.gz	MGPPYVIPFQUFLK-ZSHCYNCHSA-N	1	1	359.495	2.387	20	30		FEEDMO
C=CCc1cc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc(OC)c1OC	ZINC000367090463	556001165	/nfs/dbraw/zinc/00/11/65/556001165.db2.gz	ZGYPEGRXLLEECR-ZWKOTPCHSA-N	1	1	374.481	2.415	20	30		FEEDMO
C=CCc1cc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc(OC)c1OC	ZINC000367090463	556001167	/nfs/dbraw/zinc/00/11/67/556001167.db2.gz	ZGYPEGRXLLEECR-ZWKOTPCHSA-N	1	1	374.481	2.415	20	30		FEEDMO
CC(C)[C@H](CNC(=O)[C@@]1(C#N)CCc2ccccc2C1)N1CC[NH+](C)CC1	ZINC000367571758	556086235	/nfs/dbraw/zinc/08/62/35/556086235.db2.gz	XYNIJQDKMXAPOL-UNMCSNQZSA-N	1	1	368.525	2.073	20	30		FEEDMO
CCn1cnnc1[C@@H]1C[N@@H+](C2CCN(c3ccc(C#N)cc3)CC2)CCO1	ZINC000367609550	556096473	/nfs/dbraw/zinc/09/64/73/556096473.db2.gz	XBGPFXLMDMVVRR-IBGZPJMESA-N	1	1	366.469	2.212	20	30		FEEDMO
CCn1cnnc1[C@@H]1C[N@H+](C2CCN(c3ccc(C#N)cc3)CC2)CCO1	ZINC000367609550	556096477	/nfs/dbraw/zinc/09/64/77/556096477.db2.gz	XBGPFXLMDMVVRR-IBGZPJMESA-N	1	1	366.469	2.212	20	30		FEEDMO
N#Cc1c(NC(=O)C[N@H+]2CC[C@@H](CC(N)=O)C2)sc2c1CCCCC2	ZINC000367993497	556190778	/nfs/dbraw/zinc/19/07/78/556190778.db2.gz	LUEMNNGAZOKSFN-LBPRGKRZSA-N	1	1	360.483	2.024	20	30		FEEDMO
N#Cc1c(NC(=O)C[N@@H+]2CC[C@@H](CC(N)=O)C2)sc2c1CCCCC2	ZINC000367993497	556190780	/nfs/dbraw/zinc/19/07/80/556190780.db2.gz	LUEMNNGAZOKSFN-LBPRGKRZSA-N	1	1	360.483	2.024	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(c2cncc(F)c2)CC1	ZINC000368451376	556312949	/nfs/dbraw/zinc/31/29/49/556312949.db2.gz	RVGLPDOIHDHPDH-MRXNPFEDSA-N	1	1	373.476	2.464	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(c2cncc(F)c2)CC1	ZINC000368451376	556312951	/nfs/dbraw/zinc/31/29/51/556312951.db2.gz	RVGLPDOIHDHPDH-MRXNPFEDSA-N	1	1	373.476	2.464	20	30		FEEDMO
COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1OCCCC#N	ZINC000368976607	556465356	/nfs/dbraw/zinc/46/53/56/556465356.db2.gz	XTCSNDAIHJFERV-BXWFABGCSA-N	1	1	357.454	2.464	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1	ZINC000369015888	556477413	/nfs/dbraw/zinc/47/74/13/556477413.db2.gz	HEHGVCGVLCXJAS-OAHLLOKOSA-N	1	1	371.397	2.387	20	30		FEEDMO
C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)C2)C1	ZINC000515875432	562024406	/nfs/dbraw/zinc/02/44/06/562024406.db2.gz	ZSIOYENQKISAJP-MRXNPFEDSA-N	1	1	353.875	2.318	20	30		FEEDMO
CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369390364	556587777	/nfs/dbraw/zinc/58/77/77/556587777.db2.gz	ZMWUCHVOMUOUEY-AWEZNQCLSA-N	1	1	368.441	2.213	20	30		FEEDMO
Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc1	ZINC000516172154	562033732	/nfs/dbraw/zinc/03/37/32/562033732.db2.gz	GSEOQQYCGICYQY-INIZCTEOSA-N	1	1	351.410	2.139	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1	ZINC000369551342	556629157	/nfs/dbraw/zinc/62/91/57/556629157.db2.gz	CJMZNIAYTHWMGG-SFHVURJKSA-N	1	1	374.448	2.097	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1	ZINC000369551342	556629160	/nfs/dbraw/zinc/62/91/60/556629160.db2.gz	CJMZNIAYTHWMGG-SFHVURJKSA-N	1	1	374.448	2.097	20	30		FEEDMO
C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1	ZINC000369732081	556680126	/nfs/dbraw/zinc/68/01/26/556680126.db2.gz	MTPLVRGOFXRKGC-KRWDZBQOSA-N	1	1	368.481	2.474	20	30		FEEDMO
COCCC[N@H+]1CCCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1	ZINC000369904096	556725861	/nfs/dbraw/zinc/72/58/61/556725861.db2.gz	HMQKEWUYVPLEMT-OAHLLOKOSA-N	1	1	362.474	2.139	20	30		FEEDMO
C=CCC[C@H](O)C[N@@H+]1CCCN(Cc2nc([C@H](C)OCC)no2)CC1	ZINC000370494442	556889617	/nfs/dbraw/zinc/88/96/17/556889617.db2.gz	DRKXSFREHJHDTF-HOTGVXAUSA-N	1	1	352.479	2.002	20	30		FEEDMO
CC[C@H](NC(=O)C1(C#N)CCOCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000370494411	556889801	/nfs/dbraw/zinc/88/98/01/556889801.db2.gz	DFTRRGLEOMEWQH-RBUKOAKNSA-N	1	1	371.481	2.103	20	30		FEEDMO
CC[C@H](NC(=O)C1(C#N)CCOCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000370494411	556889804	/nfs/dbraw/zinc/88/98/04/556889804.db2.gz	DFTRRGLEOMEWQH-RBUKOAKNSA-N	1	1	371.481	2.103	20	30		FEEDMO
N#CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000370539487	556903304	/nfs/dbraw/zinc/90/33/04/556903304.db2.gz	MKQDJJACOZBPKU-DSJULSIBSA-N	1	1	369.465	2.362	20	30		FEEDMO
C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000370668174	556935782	/nfs/dbraw/zinc/93/57/82/556935782.db2.gz	UAVYQKYSVKFQPV-ZBFHGGJFSA-N	1	1	359.451	2.340	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCN1C1CC1	ZINC000370990706	557038257	/nfs/dbraw/zinc/03/82/57/557038257.db2.gz	IGVNHTFQZUOUPE-FXAWDEMLSA-N	1	1	370.472	2.236	20	30		FEEDMO
N#C[C@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000371470482	557191224	/nfs/dbraw/zinc/19/12/24/557191224.db2.gz	LTWGSNOIQNOATD-HRAATJIYSA-N	1	1	370.416	2.113	20	30		FEEDMO
N#C[C@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000371470482	557191225	/nfs/dbraw/zinc/19/12/25/557191225.db2.gz	LTWGSNOIQNOATD-HRAATJIYSA-N	1	1	370.416	2.113	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2cccc3c2OCCCO3)cc1	ZINC000517926323	562100881	/nfs/dbraw/zinc/10/08/81/562100881.db2.gz	OZCIHWPBXXPQMB-UHFFFAOYSA-N	1	1	372.446	2.283	20	30		FEEDMO
C[C@@H]1C[C@@]1(C#N)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1	ZINC000518689018	562116489	/nfs/dbraw/zinc/11/64/89/562116489.db2.gz	GJIGYYGCZZFYNM-ZTQAJYAQSA-N	1	1	354.454	2.341	20	30		FEEDMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000519318216	562129176	/nfs/dbraw/zinc/12/91/76/562129176.db2.gz	ZULVGMGPEMHTNR-HNNXBMFYSA-N	1	1	356.470	2.273	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C1CCN(Cc2ccncc2)CC1	ZINC000372582530	557511858	/nfs/dbraw/zinc/51/18/58/557511858.db2.gz	HKMLPJHXMQJCSQ-FQEVSTJZSA-N	1	1	357.502	2.032	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C1CCN(Cc2ccncc2)CC1	ZINC000372582530	557511861	/nfs/dbraw/zinc/51/18/61/557511861.db2.gz	HKMLPJHXMQJCSQ-FQEVSTJZSA-N	1	1	357.502	2.032	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+](Cc3cc(O)ccc3Br)CC2)n1	ZINC000373469190	557699579	/nfs/dbraw/zinc/69/95/79/557699579.db2.gz	MXMYHPVDKVRIBN-UHFFFAOYSA-N	1	1	362.231	2.455	20	30		FEEDMO
COc1ccccc1-n1nccc1C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000374038186	557811848	/nfs/dbraw/zinc/81/18/48/557811848.db2.gz	NPPOEFQXDUKGHA-UHFFFAOYSA-N	1	1	363.425	2.181	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCCC[C@@H](CO)C1	ZINC000374049445	557814001	/nfs/dbraw/zinc/81/40/01/557814001.db2.gz	KAHKHZUHZDUABQ-DLBZAZTESA-N	1	1	359.470	2.425	20	30		FEEDMO
Cc1nn(-c2ccccc2)c2nc(C(=O)NC3(C#N)CC[NH+](C)CC3)ccc12	ZINC000520991139	562167160	/nfs/dbraw/zinc/16/71/60/562167160.db2.gz	JNEPTZIWBABNMO-UHFFFAOYSA-N	1	1	374.448	2.447	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@]12C(=O)Nc1ccccc12	ZINC000374363588	557872180	/nfs/dbraw/zinc/87/21/80/557872180.db2.gz	CJXSELLFDDBWLB-WBMJQRKESA-N	1	1	353.344	2.301	20	30		FEEDMO
N#C[C@@H]1C[N@H+](CCCOCC(F)(F)F)C[C@]12C(=O)Nc1ccccc12	ZINC000374363588	557872181	/nfs/dbraw/zinc/87/21/81/557872181.db2.gz	CJXSELLFDDBWLB-WBMJQRKESA-N	1	1	353.344	2.301	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1	ZINC000374403780	557879615	/nfs/dbraw/zinc/87/96/15/557879615.db2.gz	VSGUJEAWLGSAOE-HZPDHXFCSA-N	1	1	365.437	2.041	20	30		FEEDMO
CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1	ZINC000374827942	557937351	/nfs/dbraw/zinc/93/73/51/557937351.db2.gz	ORMWYKJEKNPXTI-FUHWJXTLSA-N	1	1	353.426	2.153	20	30		FEEDMO
C=CCn1cc(CNC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)nn1	ZINC000521229355	562172375	/nfs/dbraw/zinc/17/23/75/562172375.db2.gz	JIXAZJZAXLUDFQ-SJORKVTESA-N	1	1	368.485	2.269	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]21	ZINC000375021474	557965663	/nfs/dbraw/zinc/96/56/63/557965663.db2.gz	OUCBTEGHWWPHKJ-CJNGLKHVSA-N	1	1	358.511	2.463	20	30		FEEDMO
C[C@H](CO)[N@H+]1CCCN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)CC1	ZINC000375482148	558035357	/nfs/dbraw/zinc/03/53/57/558035357.db2.gz	HZGCKXMQSNSMDD-AQRZYSDFSA-N	1	1	371.525	2.256	20	30		FEEDMO
Cc1cc(C)nc(C2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)n1	ZINC000375700586	558069808	/nfs/dbraw/zinc/06/98/08/558069808.db2.gz	GZXYZDRRDMEZIG-UHFFFAOYSA-N	1	1	363.465	2.461	20	30		FEEDMO
C=CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1c(C)cnn1C	ZINC000375712220	558071508	/nfs/dbraw/zinc/07/15/08/558071508.db2.gz	VSGZJGOMQZVXDF-SFHVURJKSA-N	1	1	374.510	2.180	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)o1	ZINC000376286842	558152593	/nfs/dbraw/zinc/15/25/93/558152593.db2.gz	DNCOVCAOKBDYLB-UHFFFAOYSA-N	1	1	363.414	2.233	20	30		FEEDMO
C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)o2)C[N@H+]1Cc1ccccc1	ZINC000376318757	558157309	/nfs/dbraw/zinc/15/73/09/558157309.db2.gz	BERRJIZSPOIIHS-ZBFHGGJFSA-N	1	1	359.451	2.340	20	30		FEEDMO
C=C(CNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1	ZINC000377253622	558299093	/nfs/dbraw/zinc/29/90/93/558299093.db2.gz	YSGKTCIOACWKLJ-UHFFFAOYSA-N	1	1	361.405	2.344	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CC(N)=O)C1	ZINC000377555950	558364001	/nfs/dbraw/zinc/36/40/01/558364001.db2.gz	XNWVGFCDWXTZCC-UONOGXRCSA-N	1	1	360.483	2.074	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](CC(N)=O)C1	ZINC000377555950	558364003	/nfs/dbraw/zinc/36/40/03/558364003.db2.gz	XNWVGFCDWXTZCC-UONOGXRCSA-N	1	1	360.483	2.074	20	30		FEEDMO
C#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1	ZINC000377710236	558402784	/nfs/dbraw/zinc/40/27/84/558402784.db2.gz	WJDSVVYZTHKBLT-MRXNPFEDSA-N	1	1	358.467	2.142	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1	ZINC000377758145	558413350	/nfs/dbraw/zinc/41/33/50/558413350.db2.gz	BIJKNKFDYRSMCU-WMLDXEAASA-N	1	1	368.462	2.367	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1	ZINC000378369896	558541718	/nfs/dbraw/zinc/54/17/18/558541718.db2.gz	MCAGKWHEEVHMGQ-KRWDZBQOSA-N	1	1	372.513	2.046	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1	ZINC000378369896	558541719	/nfs/dbraw/zinc/54/17/19/558541719.db2.gz	MCAGKWHEEVHMGQ-KRWDZBQOSA-N	1	1	372.513	2.046	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000378391150	558546213	/nfs/dbraw/zinc/54/62/13/558546213.db2.gz	BWQYSCUJGIZFBC-IRXDYDNUSA-N	1	1	363.527	2.058	20	30		FEEDMO
C=CCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C	ZINC000378559774	558583017	/nfs/dbraw/zinc/58/30/17/558583017.db2.gz	LVAQSRVMPYZUGO-XJKSGUPXSA-N	1	1	352.504	2.164	20	30		FEEDMO
CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccccc1C#N	ZINC000385200247	558606344	/nfs/dbraw/zinc/60/63/44/558606344.db2.gz	SJGCZQVAPULTDP-GOSISDBHSA-N	1	1	355.463	2.453	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C#N	ZINC000394044924	558621730	/nfs/dbraw/zinc/62/17/30/558621730.db2.gz	LUENSUPCSIAKIY-SFHVURJKSA-N	1	1	370.478	2.205	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000394044924	558621733	/nfs/dbraw/zinc/62/17/33/558621733.db2.gz	LUENSUPCSIAKIY-SFHVURJKSA-N	1	1	370.478	2.205	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](CCOC)C1	ZINC000524135774	562224367	/nfs/dbraw/zinc/22/43/67/562224367.db2.gz	RCQWQRMXSVAPKE-INIZCTEOSA-N	1	1	362.430	2.013	20	30		FEEDMO
C[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)n1cnc(C#N)n1	ZINC000409459519	558694163	/nfs/dbraw/zinc/69/41/63/558694163.db2.gz	RTGPQPBHQNQWHR-HZPDHXFCSA-N	1	1	366.469	2.402	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000409496823	558697678	/nfs/dbraw/zinc/69/76/78/558697678.db2.gz	YUXWOCCBAMGZET-AEFFLSMTSA-N	1	1	364.515	2.109	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000409498082	558697751	/nfs/dbraw/zinc/69/77/51/558697751.db2.gz	GMPXAXBIAFZIFH-GOSISDBHSA-N	1	1	364.515	2.063	20	30		FEEDMO
CCc1ccc([C@@H](CNS(=O)(=O)N(CC)C[C@@H](C)C#N)[NH+](C)C)cc1	ZINC000409551335	558702597	/nfs/dbraw/zinc/70/25/97/558702597.db2.gz	IIQQZBZWYIJBHM-MAUKXSAKSA-N	1	1	366.531	2.168	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)ccc1C(F)(F)F	ZINC000409578610	558704658	/nfs/dbraw/zinc/70/46/58/558704658.db2.gz	YCHVIXBIIKSQSE-LLVKDONJSA-N	1	1	373.400	2.340	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+](C)CC(=O)NCc1cccs1	ZINC000524907301	562237419	/nfs/dbraw/zinc/23/74/19/562237419.db2.gz	RQLSZPTZJVZOSK-UHFFFAOYSA-N	1	1	359.451	2.255	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](C)CC(=O)NCc1cccs1	ZINC000524907301	562237420	/nfs/dbraw/zinc/23/74/20/562237420.db2.gz	RQLSZPTZJVZOSK-UHFFFAOYSA-N	1	1	359.451	2.255	20	30		FEEDMO
C[N@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000411672079	558940791	/nfs/dbraw/zinc/94/07/91/558940791.db2.gz	MUZNPMYBIJEANU-CQSZACIVSA-N	1	1	362.861	2.193	20	30		FEEDMO
CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1	ZINC000411931787	558990393	/nfs/dbraw/zinc/99/03/93/558990393.db2.gz	IDWBSZZPXABFTA-HNNXBMFYSA-N	1	1	352.438	2.148	20	30		FEEDMO
CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1	ZINC000411931787	558990397	/nfs/dbraw/zinc/99/03/97/558990397.db2.gz	IDWBSZZPXABFTA-HNNXBMFYSA-N	1	1	352.438	2.148	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000411966076	558996547	/nfs/dbraw/zinc/99/65/47/558996547.db2.gz	LBVIHTBGLBMHCX-BTYIYWSLSA-N	1	1	362.433	2.014	20	30		FEEDMO
CNC(=O)NC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1	ZINC000412054678	559007449	/nfs/dbraw/zinc/00/74/49/559007449.db2.gz	MNPJEWHIRZFHPR-UHFFFAOYSA-N	1	1	351.248	2.214	20	30		FEEDMO
COC(=O)[C@@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@@H+](C)C1	ZINC000413588370	559118902	/nfs/dbraw/zinc/11/89/02/559118902.db2.gz	XSFBUFSUBVSDAR-ZWKOTPCHSA-N	1	1	372.469	2.168	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[N@H+](C)C[C@H]1c1ccccc1	ZINC000414457814	559165173	/nfs/dbraw/zinc/16/51/73/559165173.db2.gz	GOWMZNARLZVMFV-ROUUACIJSA-N	1	1	355.463	2.243	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c1	ZINC000414551519	559171006	/nfs/dbraw/zinc/17/10/06/559171006.db2.gz	BNIMPCQPZNETME-FPOVZHCZSA-N	1	1	352.434	2.312	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416466338	559315243	/nfs/dbraw/zinc/31/52/43/559315243.db2.gz	PUPFRBNBYOPXJR-UHFFFAOYSA-N	1	1	372.288	2.035	20	30		FEEDMO
CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000418439031	559401695	/nfs/dbraw/zinc/40/16/95/559401695.db2.gz	JKNTZZWEUAPNQC-LJQANCHMSA-N	1	1	357.502	2.149	20	30		FEEDMO
CC(C)C[C@H](C[NH3+])NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000418439031	559401696	/nfs/dbraw/zinc/40/16/96/559401696.db2.gz	JKNTZZWEUAPNQC-LJQANCHMSA-N	1	1	357.502	2.149	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)CC2)cc1	ZINC000418707337	559411762	/nfs/dbraw/zinc/41/17/62/559411762.db2.gz	BNWJLNYFHVJBBS-PMACEKPBSA-N	1	1	369.513	2.293	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC3(C#N)CCC3)CC2)cc1	ZINC000419650500	559451755	/nfs/dbraw/zinc/45/17/55/559451755.db2.gz	RUHUBJFOMQQQSH-UHFFFAOYSA-N	1	1	351.454	2.469	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)[C@@H]1C	ZINC000420931270	559512270	/nfs/dbraw/zinc/51/22/70/559512270.db2.gz	SWYDCUWVKWTWDI-DOXZYTNZSA-N	1	1	351.491	2.483	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)[C@@H]1C	ZINC000420931270	559512271	/nfs/dbraw/zinc/51/22/71/559512271.db2.gz	SWYDCUWVKWTWDI-DOXZYTNZSA-N	1	1	351.491	2.483	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1	ZINC000421002073	559518792	/nfs/dbraw/zinc/51/87/92/559518792.db2.gz	DJIWLWBAPUAQHJ-XHSDSOJGSA-N	1	1	351.491	2.294	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c(C#N)cn1CC	ZINC000421172325	559528624	/nfs/dbraw/zinc/52/86/24/559528624.db2.gz	JLXUSLXHMJUASV-HIFRSBDPSA-N	1	1	373.457	2.114	20	30		FEEDMO
COc1c(C)c[nH+]c(Cn2cnc(NCc3ccc(C#N)c(F)c3)n2)c1C	ZINC000421813913	559554493	/nfs/dbraw/zinc/55/44/93/559554493.db2.gz	PDWVKNJDSOGYBN-UHFFFAOYSA-N	1	1	366.400	2.970	20	30		FEEDMO
CCN1CCC([N@@H+]2CCCN(C(=O)c3cccc(CC#N)c3)CC2)CC1	ZINC000422007645	559560106	/nfs/dbraw/zinc/56/01/06/559560106.db2.gz	NXGHFJBQHFSJBB-UHFFFAOYSA-N	1	1	354.498	2.385	20	30		FEEDMO
CCN1CCC([N@H+]2CCCN(C(=O)c3cccc(CC#N)c3)CC2)CC1	ZINC000422007645	559560107	/nfs/dbraw/zinc/56/01/07/559560107.db2.gz	NXGHFJBQHFSJBB-UHFFFAOYSA-N	1	1	354.498	2.385	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1	ZINC000422487201	559591392	/nfs/dbraw/zinc/59/13/92/559591392.db2.gz	HXGPLODEAUKWEL-RTBURBONSA-N	1	1	357.498	2.138	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1	ZINC000527300033	562284276	/nfs/dbraw/zinc/28/42/76/562284276.db2.gz	ZSJPURMLTZLDQO-JKSUJKDBSA-N	1	1	354.454	2.288	20	30		FEEDMO
C=CCCn1cc(C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)nn1	ZINC000424568227	559669665	/nfs/dbraw/zinc/66/96/65/559669665.db2.gz	SXXQNGYFZMRXBC-UHFFFAOYSA-N	1	1	369.469	2.211	20	30		FEEDMO
C=CCCn1cc(C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)nn1	ZINC000424568227	559669666	/nfs/dbraw/zinc/66/96/66/559669666.db2.gz	SXXQNGYFZMRXBC-UHFFFAOYSA-N	1	1	369.469	2.211	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c1C#N	ZINC000527315377	562285062	/nfs/dbraw/zinc/28/50/62/562285062.db2.gz	POFUGGPDIGHOIQ-UHFFFAOYSA-N	1	1	361.453	2.313	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C	ZINC000425456418	559703055	/nfs/dbraw/zinc/70/30/55/559703055.db2.gz	WODLNNHKTJQRAQ-XDNAFOTISA-N	1	1	353.507	2.014	20	30		FEEDMO
C=CCn1cc(CNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)nn1	ZINC000425586655	559710967	/nfs/dbraw/zinc/71/09/67/559710967.db2.gz	LZSDNVIQQAULKE-UHFFFAOYSA-N	1	1	368.485	2.318	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C	ZINC000425910558	559725069	/nfs/dbraw/zinc/72/50/69/559725069.db2.gz	WNSIXIJMVVPWFB-YJBOKZPZSA-N	1	1	370.497	2.314	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000428771197	559782937	/nfs/dbraw/zinc/78/29/37/559782937.db2.gz	HMESZXYBEGVBMY-UWJYYQICSA-N	1	1	356.466	2.392	20	30		FEEDMO
C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(F)cc1	ZINC000428772068	559783005	/nfs/dbraw/zinc/78/30/05/559783005.db2.gz	KKBZUAWMLSAWDC-RDTXWAMCSA-N	1	1	368.412	2.423	20	30		FEEDMO
C[C@@H](NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(F)cc1	ZINC000428772068	559783006	/nfs/dbraw/zinc/78/30/06/559783006.db2.gz	KKBZUAWMLSAWDC-RDTXWAMCSA-N	1	1	368.412	2.423	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)c2ccc(C#N)o2)[C@@H](c2ccccc2)C1	ZINC000429855649	559807260	/nfs/dbraw/zinc/80/72/60/559807260.db2.gz	DJBMVRRGQQAQEA-GOSISDBHSA-N	1	1	352.438	2.260	20	30		FEEDMO
CN1CC[N@H+](CCCNC(=O)c2ccc(C#N)o2)[C@@H](c2ccccc2)C1	ZINC000429855649	559807261	/nfs/dbraw/zinc/80/72/61/559807261.db2.gz	DJBMVRRGQQAQEA-GOSISDBHSA-N	1	1	352.438	2.260	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)c2ccc(C#N)o2)[C@@H](c2ccccc2)C1	ZINC000429855649	559807262	/nfs/dbraw/zinc/80/72/62/559807262.db2.gz	DJBMVRRGQQAQEA-GOSISDBHSA-N	1	1	352.438	2.260	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000430310088	559817487	/nfs/dbraw/zinc/81/74/87/559817487.db2.gz	YHFQVRPBBJHKCX-CBGDNZLLSA-N	1	1	370.497	2.414	20	30		FEEDMO
COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cccc(SCC#N)c2)CC1	ZINC000430692899	559826489	/nfs/dbraw/zinc/82/64/89/559826489.db2.gz	XDGNBHXDGNOIAO-CQSZACIVSA-N	1	1	361.467	2.012	20	30		FEEDMO
N#CCCC[C@H](NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccccc1	ZINC000431931126	559848755	/nfs/dbraw/zinc/84/87/55/559848755.db2.gz	MRURDLBLFNVNJB-ZWKOTPCHSA-N	1	1	371.485	2.061	20	30		FEEDMO
CCC[N@@H+](CC)CCNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000433866832	559888996	/nfs/dbraw/zinc/88/89/96/559888996.db2.gz	XBEIXDOLIONFAQ-UHFFFAOYSA-N	1	1	374.304	2.331	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1	ZINC000434748314	559908293	/nfs/dbraw/zinc/90/82/93/559908293.db2.gz	RKZHOHSMQKIMLE-MCNSAMFCSA-N	1	1	371.529	2.449	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000434748314	559908294	/nfs/dbraw/zinc/90/82/94/559908294.db2.gz	RKZHOHSMQKIMLE-MCNSAMFCSA-N	1	1	371.529	2.449	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000434748314	559908295	/nfs/dbraw/zinc/90/82/95/559908295.db2.gz	RKZHOHSMQKIMLE-MCNSAMFCSA-N	1	1	371.529	2.449	20	30		FEEDMO
COc1cc2c(cc1OC)CC[NH+]([C@H](C(N)=O)c1ccc(C#N)cc1)CC2	ZINC000434802447	559909705	/nfs/dbraw/zinc/90/97/05/559909705.db2.gz	MBXFZHKWWCZTPF-FQEVSTJZSA-N	1	1	365.433	2.203	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1C	ZINC000434983828	559913812	/nfs/dbraw/zinc/91/38/12/559913812.db2.gz	UKAUQTZBRXKIEQ-RHSMWYFYSA-N	1	1	353.426	2.242	20	30		FEEDMO
C=CCC[C@H](NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1	ZINC000435756087	559929654	/nfs/dbraw/zinc/92/96/54/559929654.db2.gz	AOFZPYCFGGYNEL-IBGZPJMESA-N	1	1	372.513	2.499	20	30		FEEDMO
COC[C@@](C)(C#N)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2	ZINC000435915371	559932258	/nfs/dbraw/zinc/93/22/58/559932258.db2.gz	FVLWYEZERRQIMU-OAQYLSRUSA-N	1	1	368.481	2.453	20	30		FEEDMO
C=CCN(C(=O)NCC[N@@H+](C)C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000441316738	560028485	/nfs/dbraw/zinc/02/84/85/560028485.db2.gz	UVIXJWSWAHSQBX-HNNXBMFYSA-N	1	1	369.473	2.015	20	30		FEEDMO
COc1cc(CNc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)ccc1C#N	ZINC000441369046	560030138	/nfs/dbraw/zinc/03/01/38/560030138.db2.gz	MGUYCLILQCHSPQ-UHFFFAOYSA-N	1	1	350.422	2.022	20	30		FEEDMO
COc1cc(CNc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)ccc1C#N	ZINC000441369046	560030139	/nfs/dbraw/zinc/03/01/39/560030139.db2.gz	MGUYCLILQCHSPQ-UHFFFAOYSA-N	1	1	350.422	2.022	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000442300575	560048607	/nfs/dbraw/zinc/04/86/07/560048607.db2.gz	ZKIYPIIQIUHBMR-UONOGXRCSA-N	1	1	360.483	2.182	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000442300575	560048608	/nfs/dbraw/zinc/04/86/08/560048608.db2.gz	ZKIYPIIQIUHBMR-UONOGXRCSA-N	1	1	360.483	2.182	20	30		FEEDMO
C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000443321228	560079603	/nfs/dbraw/zinc/07/96/03/560079603.db2.gz	PTRHTBYUYLFNAX-IIDMSEBBSA-N	1	1	367.453	2.164	20	30		FEEDMO
C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000443321228	560079605	/nfs/dbraw/zinc/07/96/05/560079605.db2.gz	PTRHTBYUYLFNAX-IIDMSEBBSA-N	1	1	367.453	2.164	20	30		FEEDMO
Cc1cc(C[N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)ccc1F	ZINC000444739171	560119152	/nfs/dbraw/zinc/11/91/52/560119152.db2.gz	VHLITKYUMGPIBJ-LJQANCHMSA-N	1	1	360.477	2.258	20	30		FEEDMO
Cc1cc(C[N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)ccc1F	ZINC000444739171	560119153	/nfs/dbraw/zinc/11/91/53/560119153.db2.gz	VHLITKYUMGPIBJ-LJQANCHMSA-N	1	1	360.477	2.258	20	30		FEEDMO
CCCC[N@@H+](CC)Cc1cccc(CNS(=O)(=O)N(C)CCC#N)c1	ZINC000447649043	560165792	/nfs/dbraw/zinc/16/57/92/560165792.db2.gz	SDULPGUUKUWXQO-UHFFFAOYSA-N	1	1	366.531	2.488	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000447701379	560167615	/nfs/dbraw/zinc/16/76/15/560167615.db2.gz	QXJHPBXPRDCVTP-CQSZACIVSA-N	1	1	359.430	2.267	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C	ZINC000447926735	560173512	/nfs/dbraw/zinc/17/35/12/560173512.db2.gz	NDHCSULSQLJQMI-IOMROCGXSA-N	1	1	373.497	2.083	20	30		FEEDMO
C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[N@@H+](C)C1CC1	ZINC000448891645	560205176	/nfs/dbraw/zinc/20/51/76/560205176.db2.gz	UVOSAMLYXGPAJG-JSGCOSHPSA-N	1	1	374.872	2.163	20	30		FEEDMO
C=CCOc1ccc(CC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1	ZINC000448933682	560207528	/nfs/dbraw/zinc/20/75/28/560207528.db2.gz	RTGLYLWCDNPZOD-FQEVSTJZSA-N	1	1	371.525	2.422	20	30		FEEDMO
N#Cc1cnc(NCc2ccc(C[NH+]3CCOCC3)cc2)c([N+](=O)[O-])c1	ZINC000450227304	560254686	/nfs/dbraw/zinc/25/46/86/560254686.db2.gz	PMTGECMHVJDINO-UHFFFAOYSA-N	1	1	353.382	2.306	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000450229064	560254767	/nfs/dbraw/zinc/25/47/67/560254767.db2.gz	WEAYQBIMDKFRFP-FYQPLNBISA-N	1	1	363.546	2.373	20	30		FEEDMO
C=CC[N@@H+](C[C@H]1CCNC(=O)CC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000450392710	560261107	/nfs/dbraw/zinc/26/11/07/560261107.db2.gz	NPXLCJWHWKLBFV-HZPDHXFCSA-N	1	1	354.458	2.128	20	30		FEEDMO
C[N@H+]1CCN(C(=O)COc2cccc(Br)c2C#N)C(C)(C)C1	ZINC000450513721	560264696	/nfs/dbraw/zinc/26/46/96/560264696.db2.gz	AYHSWGBVSYTKFH-UHFFFAOYSA-N	1	1	366.259	2.252	20	30		FEEDMO
CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(C#N)[nH]c2C)CC1	ZINC000451169168	560291032	/nfs/dbraw/zinc/29/10/32/560291032.db2.gz	ZGNXBSVTARLWBN-UHFFFAOYSA-N	1	1	374.485	2.463	20	30		FEEDMO
CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cc(C#N)[nH]c2C)CC1	ZINC000451169168	560291033	/nfs/dbraw/zinc/29/10/33/560291033.db2.gz	ZGNXBSVTARLWBN-UHFFFAOYSA-N	1	1	374.485	2.463	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)C1	ZINC000451275899	560297636	/nfs/dbraw/zinc/29/76/36/560297636.db2.gz	YQWNRADHMRLOLE-IUODEOHRSA-N	1	1	355.891	2.413	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3cccc(C#N)c3F)C2)CC1	ZINC000451529624	560312417	/nfs/dbraw/zinc/31/24/17/560312417.db2.gz	NMQOQRONMDZODS-GOSISDBHSA-N	1	1	372.488	2.464	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1	ZINC000453614895	560391312	/nfs/dbraw/zinc/39/13/12/560391312.db2.gz	PVGSLFRYDCGJCG-XHSDSOJGSA-N	1	1	356.470	2.288	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000453638855	560392601	/nfs/dbraw/zinc/39/26/01/560392601.db2.gz	DLRIQDMLCLLHDD-UHFFFAOYSA-N	1	1	350.488	2.312	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453650637	560393428	/nfs/dbraw/zinc/39/34/28/560393428.db2.gz	HYKAGTHKUAYGGH-AWEZNQCLSA-N	1	1	362.861	2.335	20	30		FEEDMO
CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453651805	560393623	/nfs/dbraw/zinc/39/36/23/560393623.db2.gz	YWTLWJFUIOEXCT-UHFFFAOYSA-N	1	1	350.850	2.193	20	30		FEEDMO
C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453700003	560397748	/nfs/dbraw/zinc/39/77/48/560397748.db2.gz	QTHYTPWSRNWMBH-INIZCTEOSA-N	1	1	364.449	2.328	20	30		FEEDMO
CC[N@H+](CCNC(=O)C(=O)Nc1cc(C)cc(C#N)c1)CCC(F)(F)F	ZINC000453764127	560402499	/nfs/dbraw/zinc/40/24/99/560402499.db2.gz	XCSGUFKQOSDVQM-UHFFFAOYSA-N	1	1	370.375	2.196	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1cc(C)cc(C#N)c1)CCC(F)(F)F	ZINC000453764127	560402500	/nfs/dbraw/zinc/40/25/00/560402500.db2.gz	XCSGUFKQOSDVQM-UHFFFAOYSA-N	1	1	370.375	2.196	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@H](C)[N@H+]1C	ZINC000453769418	560402950	/nfs/dbraw/zinc/40/29/50/560402950.db2.gz	JWXXEPKCRPLLPY-TXEJJXNPSA-N	1	1	362.499	2.407	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C[C@H](C)[N@@H+]1C	ZINC000453769418	560402951	/nfs/dbraw/zinc/40/29/51/560402951.db2.gz	JWXXEPKCRPLLPY-TXEJJXNPSA-N	1	1	362.499	2.407	20	30		FEEDMO
CC#CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2	ZINC000454733750	560456021	/nfs/dbraw/zinc/45/60/21/560456021.db2.gz	LAORTYYHZKUSIV-LJQANCHMSA-N	1	1	355.482	2.238	20	30		FEEDMO
Cc1cc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ncc1C#N	ZINC000457445559	560567218	/nfs/dbraw/zinc/56/72/18/560567218.db2.gz	CATILRIKYBUKFV-UHFFFAOYSA-N	1	1	350.422	2.024	20	30		FEEDMO
C[C@H](CNC(=O)NCC(C)(C)CC#N)[NH+]1CCN(c2ccccc2)CC1	ZINC000457719016	560583560	/nfs/dbraw/zinc/58/35/60/560583560.db2.gz	BABWCOHQRVAJMQ-QGZVFWFLSA-N	1	1	357.502	2.436	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1	ZINC000458382766	560619083	/nfs/dbraw/zinc/61/90/83/560619083.db2.gz	KKEQUAQMEMYOLE-QGZVFWFLSA-N	1	1	364.490	2.130	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000459257788	560676407	/nfs/dbraw/zinc/67/64/07/560676407.db2.gz	KOROTWYWFAFNNR-MSOLQXFVSA-N	1	1	358.486	2.108	20	30		FEEDMO
C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCN(c2cccnn2)CC1	ZINC000459382460	560683509	/nfs/dbraw/zinc/68/35/09/560683509.db2.gz	FDFDSWIEVOJYRC-UHFFFAOYSA-N	1	1	352.398	2.357	20	30		FEEDMO
C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCN(c2cccnn2)CC1	ZINC000459382460	560683511	/nfs/dbraw/zinc/68/35/11/560683511.db2.gz	FDFDSWIEVOJYRC-UHFFFAOYSA-N	1	1	352.398	2.357	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000459912471	560719019	/nfs/dbraw/zinc/71/90/19/560719019.db2.gz	YBFYRUVKJUJBPP-OALUTQOASA-N	1	1	355.482	2.144	20	30		FEEDMO
C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1	ZINC000460651648	560748376	/nfs/dbraw/zinc/74/83/76/560748376.db2.gz	YZWBYJPVIJQFFF-KBRIMQKVSA-N	1	1	353.413	2.335	20	30		FEEDMO
C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1	ZINC000460651648	560748377	/nfs/dbraw/zinc/74/83/77/560748377.db2.gz	YZWBYJPVIJQFFF-KBRIMQKVSA-N	1	1	353.413	2.335	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C	ZINC000460953768	560756990	/nfs/dbraw/zinc/75/69/90/560756990.db2.gz	ULLGHPMSLSEOGC-CVEARBPZSA-N	1	1	362.522	2.159	20	30		FEEDMO
COCCOCc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1	ZINC000461050518	560760350	/nfs/dbraw/zinc/76/03/50/560760350.db2.gz	JWOVBIWJPGKDDH-IBGZPJMESA-N	1	1	353.422	2.037	20	30		FEEDMO
N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000461944952	560789127	/nfs/dbraw/zinc/78/91/27/560789127.db2.gz	WNEHEBKCNUVKDZ-IPELMVKDSA-N	1	1	356.470	2.135	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000462139724	560798996	/nfs/dbraw/zinc/79/89/96/560798996.db2.gz	ZCJVCXZOAJLKEF-CVEARBPZSA-N	1	1	356.470	2.451	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)C[NH2+][C@@]1(CC(=O)OC)CCOC1	ZINC000464598327	560846374	/nfs/dbraw/zinc/84/63/74/560846374.db2.gz	UBGBNTHJAWRQEN-GOSISDBHSA-N	1	1	364.467	2.215	20	30		FEEDMO
C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1	ZINC000467228703	560906849	/nfs/dbraw/zinc/90/68/49/560906849.db2.gz	IECUGRKSRYFHSM-SNVBAGLBSA-N	1	1	354.248	2.140	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)n1	ZINC000471814753	561012289	/nfs/dbraw/zinc/01/22/89/561012289.db2.gz	FIXRBWRCYGABCB-IPMKNSEASA-N	1	1	367.497	2.221	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](CCO)C2CC2)c1C#N	ZINC000472439200	561026521	/nfs/dbraw/zinc/02/65/21/561026521.db2.gz	LGCVTPUVVWIQST-UHFFFAOYSA-N	1	1	370.453	2.403	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1	ZINC000473230226	561045055	/nfs/dbraw/zinc/04/50/55/561045055.db2.gz	JXNXZNYJBUFDOD-UHFFFAOYSA-N	1	1	372.428	2.346	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)N1CC[NH+](C)CC1	ZINC000475907490	561107629	/nfs/dbraw/zinc/10/76/29/561107629.db2.gz	UZOLTTGTMOTGAN-LJQANCHMSA-N	1	1	356.514	2.490	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1	ZINC000527986203	562310610	/nfs/dbraw/zinc/31/06/10/562310610.db2.gz	KACRCEGZADONDD-QRQLOZEOSA-N	1	1	359.470	2.302	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1	ZINC000527986203	562310611	/nfs/dbraw/zinc/31/06/11/562310611.db2.gz	KACRCEGZADONDD-QRQLOZEOSA-N	1	1	359.470	2.302	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528358236	562324744	/nfs/dbraw/zinc/32/47/44/562324744.db2.gz	KJAORAGAKRYMLY-QXAKKESOSA-N	1	1	373.497	2.315	20	30		FEEDMO
COc1cc2c(c(OC)c1OC)CC[N@@H+](C[C@@H](O)CC1(C#N)CC1)CC2	ZINC000528406825	562327359	/nfs/dbraw/zinc/32/73/59/562327359.db2.gz	ZGJNXCODVQVHIA-HNNXBMFYSA-N	1	1	360.454	2.168	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000528438821	562329272	/nfs/dbraw/zinc/32/92/72/562329272.db2.gz	NFFYUHXHLIQMKY-UYAOXDASSA-N	1	1	356.397	2.031	20	30		FEEDMO
COc1cccc2c1CC[N@H+](CC#CCN1C(=O)c3ccccc3C1=O)C2	ZINC000528444465	562329779	/nfs/dbraw/zinc/32/97/79/562329779.db2.gz	XKKKYQRWRXQVEJ-UHFFFAOYSA-N	1	1	360.413	2.353	20	30		FEEDMO
COc1cccc2c1CC[N@@H+](CC#CCN1C(=O)c3ccccc3C1=O)C2	ZINC000528444465	562329780	/nfs/dbraw/zinc/32/97/80/562329780.db2.gz	XKKKYQRWRXQVEJ-UHFFFAOYSA-N	1	1	360.413	2.353	20	30		FEEDMO
C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000528530472	562334502	/nfs/dbraw/zinc/33/45/02/562334502.db2.gz	YEWKZRMNKGHHKK-KXBFYZLASA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000528530472	562334503	/nfs/dbraw/zinc/33/45/03/562334503.db2.gz	YEWKZRMNKGHHKK-KXBFYZLASA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O	ZINC000528782619	562347409	/nfs/dbraw/zinc/34/74/09/562347409.db2.gz	FAAKYAWMOBTQGK-HEMQPVNBSA-N	1	1	365.543	2.291	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O	ZINC000528782619	562347410	/nfs/dbraw/zinc/34/74/10/562347410.db2.gz	FAAKYAWMOBTQGK-HEMQPVNBSA-N	1	1	365.543	2.291	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)C[C@H](C)O1	ZINC000528799734	562348512	/nfs/dbraw/zinc/34/85/12/562348512.db2.gz	QJLVROWJOINECZ-CALCHBBNSA-N	1	1	370.497	2.234	20	30		FEEDMO
C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCC1	ZINC000530336769	562407360	/nfs/dbraw/zinc/40/73/60/562407360.db2.gz	VFXZMKJDWOBHDL-LNLFQRSKSA-N	1	1	354.498	2.438	20	30		FEEDMO
C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCC1	ZINC000530336769	562407361	/nfs/dbraw/zinc/40/73/61/562407361.db2.gz	VFXZMKJDWOBHDL-LNLFQRSKSA-N	1	1	354.498	2.438	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H]2C)c1C#N	ZINC000530361213	562408312	/nfs/dbraw/zinc/40/83/12/562408312.db2.gz	CBLRFWSQZFVNNM-CZUORRHYSA-N	1	1	370.453	2.402	20	30		FEEDMO
CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)C1	ZINC000531645359	562452657	/nfs/dbraw/zinc/45/26/57/562452657.db2.gz	AUKZLHQWOCPDBT-FQEVSTJZSA-N	1	1	370.497	2.143	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)C2(C#N)CC(C)C2)CC1	ZINC000532323143	562473934	/nfs/dbraw/zinc/47/39/34/562473934.db2.gz	CHOJPCSAWZXROL-UHFFFAOYSA-N	1	1	354.498	2.380	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](N2CCCC2=O)C1	ZINC000532580941	562481950	/nfs/dbraw/zinc/48/19/50/562481950.db2.gz	IVKPNYULWPKKSH-HKUYNNGSSA-N	1	1	368.481	2.409	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](N2CCCC2=O)C1	ZINC000532580941	562481951	/nfs/dbraw/zinc/48/19/51/562481951.db2.gz	IVKPNYULWPKKSH-HKUYNNGSSA-N	1	1	368.481	2.409	20	30		FEEDMO
N#Cc1cccc(NC(=O)C2CC[NH+](CC(=O)NCC3CCC3)CC2)c1	ZINC000532670742	562485182	/nfs/dbraw/zinc/48/51/82/562485182.db2.gz	RDTQGSYSXUYNMO-UHFFFAOYSA-N	1	1	354.454	2.125	20	30		FEEDMO
CCC1(CC)CC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000533482588	562510497	/nfs/dbraw/zinc/51/04/97/562510497.db2.gz	UAVSIDDKLLEINW-UHFFFAOYSA-N	1	1	359.474	2.015	20	30		FEEDMO
Cc1cccc(C[NH+]2CCN(C(=O)CN(C[C@@H](C)C#N)C3CC3)CC2)c1	ZINC000533598539	562514275	/nfs/dbraw/zinc/51/42/75/562514275.db2.gz	ZVGYJBGHOMCISF-SFHVURJKSA-N	1	1	354.498	2.263	20	30		FEEDMO
COc1cc(C#N)cc(Cl)c1OC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000533708697	562516587	/nfs/dbraw/zinc/51/65/87/562516587.db2.gz	XBYIAQSEQSAOEI-SGMGOOAPSA-N	1	1	354.834	2.069	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000535079287	562550686	/nfs/dbraw/zinc/55/06/86/562550686.db2.gz	LMWSFZPRUMCDLE-FAEJEUNOSA-N	1	1	371.485	2.379	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)OCC	ZINC000535895934	562570406	/nfs/dbraw/zinc/57/04/06/562570406.db2.gz	RLBOJBHVCGEMJA-LJQANCHMSA-N	1	1	363.477	2.435	20	30		FEEDMO
N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)s1	ZINC000536434015	562575444	/nfs/dbraw/zinc/57/54/44/562575444.db2.gz	UNPPWLCGCGNVIW-NVXWUHKLSA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1ccc(OC2CCC(NC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)nc1	ZINC000536651858	562580460	/nfs/dbraw/zinc/58/04/60/562580460.db2.gz	MCIDAYZQJODTEN-UPTPFMHGSA-N	1	1	369.469	2.179	20	30		FEEDMO
CC[N@@H+](CCC1CCN(S(=O)(=O)N(C)CCC#N)CC1)CC(C)C	ZINC000536899888	562582302	/nfs/dbraw/zinc/58/23/02/562582302.db2.gz	GKEVVRNBAYFDJI-UHFFFAOYSA-N	1	1	358.552	2.157	20	30		FEEDMO
C=CCCOCCCCC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1	ZINC000537330298	562589692	/nfs/dbraw/zinc/58/96/92/562589692.db2.gz	WPRCPEZEYSVCNN-LJQANCHMSA-N	1	1	351.535	2.378	20	30		FEEDMO
COc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000541050466	562601461	/nfs/dbraw/zinc/60/14/61/562601461.db2.gz	AOPUDUSCCQFUBP-INIZCTEOSA-N	1	1	359.813	2.482	20	30		FEEDMO
CCC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@@H]1CC(=O)N(C)C1=O	ZINC000549820347	562640133	/nfs/dbraw/zinc/64/01/33/562640133.db2.gz	FSNBLUDHUXZPJT-MRXNPFEDSA-N	1	1	373.453	2.347	20	30		FEEDMO
CCC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@@H]1CC(=O)N(C)C1=O	ZINC000549820347	562640134	/nfs/dbraw/zinc/64/01/34/562640134.db2.gz	FSNBLUDHUXZPJT-MRXNPFEDSA-N	1	1	373.453	2.347	20	30		FEEDMO
C=C(C)C[C@@H](NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)C(=O)OC	ZINC000601784607	567840535	/nfs/dbraw/zinc/84/05/35/567840535.db2.gz	FHRLPGNRMNIXTQ-MRXNPFEDSA-N	1	1	365.499	2.288	20	30		FEEDMO
C[NH2+][C@H](C(=O)N1CCN(CCC#N)CC1)c1cccc(Cl)c1Cl	ZINC000601852245	567860726	/nfs/dbraw/zinc/86/07/26/567860726.db2.gz	UOFFMEUHJWXUNU-HNNXBMFYSA-N	1	1	355.269	2.312	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCC[C@@H]1C#N	ZINC000601853439	567861182	/nfs/dbraw/zinc/86/11/82/567861182.db2.gz	AMMSOGKHZYWYCO-VQHPVUNQSA-N	1	1	356.474	2.128	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C[C@H](C)N1CC#N	ZINC000602848990	568000805	/nfs/dbraw/zinc/00/08/05/568000805.db2.gz	JBIRZBFGOTWYBE-HLVUACMISA-N	1	1	365.518	2.168	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1	ZINC000602926006	568018626	/nfs/dbraw/zinc/01/86/26/568018626.db2.gz	MWGMTFCZFPSVTP-GOEBONIOSA-N	1	1	357.376	2.383	20	30		FEEDMO
CO[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@](C)(CO)C1	ZINC000602963402	568023518	/nfs/dbraw/zinc/02/35/18/568023518.db2.gz	FNZUWDREWGADBR-XLIONFOSSA-N	1	1	359.470	2.022	20	30		FEEDMO
CO[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@](C)(CO)C1	ZINC000602963402	568023520	/nfs/dbraw/zinc/02/35/20/568023520.db2.gz	FNZUWDREWGADBR-XLIONFOSSA-N	1	1	359.470	2.022	20	30		FEEDMO
CC1(C)[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C[C@H]1[NH+]1CCOCC1	ZINC000603117816	568063646	/nfs/dbraw/zinc/06/36/46/568063646.db2.gz	PMTZBQWCMNBCKF-QZTJIDSGSA-N	1	1	353.466	2.471	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000603145965	568067657	/nfs/dbraw/zinc/06/76/57/568067657.db2.gz	OOOVOZWRJQBLEO-UKPHBRMFSA-N	1	1	371.403	2.119	20	30		FEEDMO
Cc1nccc([C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)n1	ZINC000603834462	568158782	/nfs/dbraw/zinc/15/87/82/568158782.db2.gz	VARWMHPXYCRZHT-OALUTQOASA-N	1	1	366.465	2.470	20	30		FEEDMO
CC1(C)C[NH+](CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1	ZINC000568777650	568205560	/nfs/dbraw/zinc/20/55/60/568205560.db2.gz	DDUQIAPUOZZTPB-UHFFFAOYSA-N	1	1	354.454	2.077	20	30		FEEDMO
N#Cc1ccc(CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1	ZINC000569592052	568408686	/nfs/dbraw/zinc/40/86/86/568408686.db2.gz	ORGICRKSQIWSSV-LJQANCHMSA-N	1	1	370.478	2.056	20	30		FEEDMO
C[C@H]1COCC[N@@H+]1C1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000569588349	568408733	/nfs/dbraw/zinc/40/87/33/568408733.db2.gz	LEQKYRUDHKCCFE-AWEZNQCLSA-N	1	1	362.499	2.133	20	30		FEEDMO
C[C@H]1COCC[N@H+]1C1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000569588349	568408734	/nfs/dbraw/zinc/40/87/34/568408734.db2.gz	LEQKYRUDHKCCFE-AWEZNQCLSA-N	1	1	362.499	2.133	20	30		FEEDMO
CC[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1nnc2n1CCCCC2	ZINC000569686014	568411809	/nfs/dbraw/zinc/41/18/09/568411809.db2.gz	CZMIEVXGOHAFJD-WMZOPIPTSA-N	1	1	369.469	2.357	20	30		FEEDMO
C=CCCCCCCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1	ZINC000807572548	674420511	/nfs/dbraw/zinc/42/05/11/674420511.db2.gz	LEHBSHSHBKCWRD-KRWDZBQOSA-N	1	1	350.507	2.071	20	30		FEEDMO
C#CCNC(=O)C[NH+]1[C@@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C	ZINC000808798017	674472818	/nfs/dbraw/zinc/47/28/18/674472818.db2.gz	IBBZHUQAEGGSIG-KBPBESRZSA-N	1	1	353.388	2.354	20	30		FEEDMO
Cc1ccc(C#N)nc1N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826281063	608543501	/nfs/dbraw/zinc/54/35/01/608543501.db2.gz	BUFWOFNFXURDEE-UHFFFAOYSA-N	1	1	374.452	2.154	20	30		FEEDMO
Cc1ccc([C@@H](CNS(=O)(=O)CC2(C#N)CCC2)[NH+]2CCCC2)o1	ZINC000561993202	674713415	/nfs/dbraw/zinc/71/34/15/674713415.db2.gz	OOOBEWLKGJUYCS-OAHLLOKOSA-N	1	1	351.472	2.338	20	30		FEEDMO
Brc1ccc2c(c1)CCC2=NNCCC[NH+]1CCOCC1	ZINC000814923780	674888940	/nfs/dbraw/zinc/88/89/40/674888940.db2.gz	NUYSMXNSGDONAM-UHFFFAOYSA-N	1	1	352.276	2.411	20	30		FEEDMO
C[C@@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)n1cnc(C#N)n1	ZINC000563660175	674923516	/nfs/dbraw/zinc/92/35/16/674923516.db2.gz	NSWPRYLAZXREHT-LBPRGKRZSA-N	1	1	359.459	2.182	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1c1ncc(C#N)cc1Cl	ZINC001048587780	675011340	/nfs/dbraw/zinc/01/13/40/675011340.db2.gz	XWRNIQKBVOBVTA-XHSDSOJGSA-N	1	1	361.877	2.174	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)cc1F	ZINC000565267611	675107133	/nfs/dbraw/zinc/10/71/33/675107133.db2.gz	QWFBANCBGOGYDF-CQSZACIVSA-N	1	1	361.442	2.496	20	30		FEEDMO
CC1=C[C@H](C)C[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000569181736	670520689	/nfs/dbraw/zinc/52/06/89/670520689.db2.gz	WOTZSAQJKMCJFI-RDJZCZTQSA-N	1	1	358.511	2.355	20	30		FEEDMO
C[C@H]1SCC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)[C@@H]1C	ZINC000118383684	671886030	/nfs/dbraw/zinc/88/60/30/671886030.db2.gz	ZWIIFHYYJAJCJH-ZIAGYGMSSA-N	1	1	358.467	2.106	20	30		FEEDMO
C[C@H]1SCC[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)[C@@H]1C	ZINC000118383684	671886036	/nfs/dbraw/zinc/88/60/36/671886036.db2.gz	ZWIIFHYYJAJCJH-ZIAGYGMSSA-N	1	1	358.467	2.106	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CNc2cc(Br)c(C#N)cc2F)CC1	ZINC000581617723	671918561	/nfs/dbraw/zinc/91/85/61/671918561.db2.gz	AWTJHNYTOOCQOJ-UHFFFAOYSA-N	1	1	369.238	2.036	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccnc2C#N)C1	ZINC000582098850	671967613	/nfs/dbraw/zinc/96/76/13/671967613.db2.gz	BBVZVGBLFDICTA-GDBMZVCRSA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2cccnc2C#N)C1	ZINC000582098850	671967617	/nfs/dbraw/zinc/96/76/17/671967617.db2.gz	BBVZVGBLFDICTA-GDBMZVCRSA-N	1	1	356.451	2.067	20	30		FEEDMO
C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)ccc1OC	ZINC000154147879	672211682	/nfs/dbraw/zinc/21/16/82/672211682.db2.gz	VVJYENMITOOPFS-MRXNPFEDSA-N	1	1	368.499	2.164	20	30		FEEDMO
C=C(C)COc1cc(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)ccc1OC	ZINC000154147879	672211685	/nfs/dbraw/zinc/21/16/85/672211685.db2.gz	VVJYENMITOOPFS-MRXNPFEDSA-N	1	1	368.499	2.164	20	30		FEEDMO
N#CCCN1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1	ZINC000611174295	676022651	/nfs/dbraw/zinc/02/26/51/676022651.db2.gz	GTLWRIMUFUMPOH-CQSZACIVSA-N	1	1	358.269	2.264	20	30		FEEDMO
N#CCCN1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1	ZINC000611174294	676022684	/nfs/dbraw/zinc/02/26/84/676022684.db2.gz	GTLWRIMUFUMPOH-AWEZNQCLSA-N	1	1	358.269	2.264	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2S(=O)(=O)CC)CC1	ZINC000184296074	672496662	/nfs/dbraw/zinc/49/66/62/672496662.db2.gz	XYIPIBHJYIWBBE-UHFFFAOYSA-N	1	1	369.462	2.391	20	30		FEEDMO
N#Cc1cc(Br)cnc1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000590685663	672601741	/nfs/dbraw/zinc/60/17/41/672601741.db2.gz	KWWRJUXESXIPRU-HNNXBMFYSA-N	1	1	365.275	2.407	20	30		FEEDMO
C[N@H+]1CC[C@@](O)(CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1	ZINC000680831680	672605287	/nfs/dbraw/zinc/60/52/87/672605287.db2.gz	KPPDZIADHIBZBA-LJQANCHMSA-N	1	1	355.463	2.336	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)[C@H]1c1cccs1	ZINC000591965245	672727330	/nfs/dbraw/zinc/72/73/30/672727330.db2.gz	HKOMVBRPCDTMJQ-HFTRVMKXSA-N	1	1	362.499	2.191	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)sc2c1CCCC2	ZINC000593100588	672876249	/nfs/dbraw/zinc/87/62/49/672876249.db2.gz	LILJVOKFXCJKHB-BGBYCUJFSA-N	1	1	363.508	2.032	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)sc2c1CCCC2	ZINC000593100588	672876253	/nfs/dbraw/zinc/87/62/53/672876253.db2.gz	LILJVOKFXCJKHB-BGBYCUJFSA-N	1	1	363.508	2.032	20	30		FEEDMO
C[NH+]=C(NCC1(N2CCSCC2)CCCC1)NC[C@]1(C)CCCO1	ZINC000261837182	672903989	/nfs/dbraw/zinc/90/39/89/672903989.db2.gz	WEMBABCBGXTCRT-KRWDZBQOSA-N	1	1	354.564	2.082	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2C#N)CC[N@H+]1C	ZINC000593486373	672929988	/nfs/dbraw/zinc/92/99/88/672929988.db2.gz	URJLVUHKFNXBQZ-IAQYHMDHSA-N	1	1	350.260	2.462	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1	ZINC000593621768	672960335	/nfs/dbraw/zinc/96/03/35/672960335.db2.gz	SFUUPFRSMJDFCT-IXDOHACOSA-N	1	1	364.515	2.060	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1	ZINC000593621768	672960337	/nfs/dbraw/zinc/96/03/37/672960337.db2.gz	SFUUPFRSMJDFCT-IXDOHACOSA-N	1	1	364.515	2.060	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1	ZINC000288997564	672987809	/nfs/dbraw/zinc/98/78/09/672987809.db2.gz	YXSFEZBTESLWPA-KRWDZBQOSA-N	1	1	350.484	2.165	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)Nc2cccc(Cl)c2N2CCOCC2)[N@H+](C)C1	ZINC000329034205	673071139	/nfs/dbraw/zinc/07/11/39/673071139.db2.gz	MGZAIKWFKOADSG-WFASDCNBSA-N	1	1	353.850	2.484	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)Nc2cccc(Cl)c2N2CCOCC2)[N@@H+](C)C1	ZINC000329034205	673071141	/nfs/dbraw/zinc/07/11/41/673071141.db2.gz	MGZAIKWFKOADSG-WFASDCNBSA-N	1	1	353.850	2.484	20	30		FEEDMO
C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1	ZINC000329253121	673074480	/nfs/dbraw/zinc/07/44/80/673074480.db2.gz	YXKNVFLKSKFINX-BRWVUGGUSA-N	1	1	351.491	2.235	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1	ZINC000595356913	673232219	/nfs/dbraw/zinc/23/22/19/673232219.db2.gz	VMRBLHXTHRNHSC-CYBMUJFWSA-N	1	1	372.288	2.083	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1	ZINC000595393420	673240945	/nfs/dbraw/zinc/24/09/45/673240945.db2.gz	AZYQGWVLGLXFJQ-LJQANCHMSA-N	1	1	355.463	2.252	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1	ZINC000595393420	673240947	/nfs/dbraw/zinc/24/09/47/673240947.db2.gz	AZYQGWVLGLXFJQ-LJQANCHMSA-N	1	1	355.463	2.252	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(OC)c(Br)c1	ZINC000730283492	673268867	/nfs/dbraw/zinc/26/88/67/673268867.db2.gz	YRURSACCOLVYOF-AWEZNQCLSA-N	1	1	351.244	2.172	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(OC)c(Br)c1	ZINC000730283492	673268869	/nfs/dbraw/zinc/26/88/69/673268869.db2.gz	YRURSACCOLVYOF-AWEZNQCLSA-N	1	1	351.244	2.172	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1Cl	ZINC000595744963	673288168	/nfs/dbraw/zinc/28/81/68/673288168.db2.gz	WTUSOGYIMPTKSX-CZUORRHYSA-N	1	1	360.845	2.141	20	30		FEEDMO
CCOCCC[N@H+]1CCC(=NNS(=O)(=O)c2ccc(C)cc2)[C@H](C)C1	ZINC000735224028	673486530	/nfs/dbraw/zinc/48/65/30/673486530.db2.gz	KMSLLGGPNDPCFC-MRXNPFEDSA-N	1	1	367.515	2.398	20	30		FEEDMO
CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CC[N@@H+](C)C1	ZINC000597947453	673522689	/nfs/dbraw/zinc/52/26/89/673522689.db2.gz	YSAVOALSHUZAHZ-CYBMUJFWSA-N	1	1	366.259	2.252	20	30		FEEDMO
COC(=O)c1cnc([C@@H]2CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2)s1	ZINC000598628214	673592740	/nfs/dbraw/zinc/59/27/40/673592740.db2.gz	LSGVRCGRSAIOTP-OLZOCXBDSA-N	1	1	351.472	2.410	20	30		FEEDMO
Cn1cc(Br)cc1C[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599312419	673657072	/nfs/dbraw/zinc/65/70/72/673657072.db2.gz	RYDQUPUQQNPBEA-OAHLLOKOSA-N	1	1	370.291	2.291	20	30		FEEDMO
N#CCN1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1	ZINC000599376584	673666414	/nfs/dbraw/zinc/66/64/14/673666414.db2.gz	VZZOMIGVHVCASJ-GOSISDBHSA-N	1	1	360.889	2.409	20	30		FEEDMO
N#CCN1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1	ZINC000599376584	673666415	/nfs/dbraw/zinc/66/64/15/673666415.db2.gz	VZZOMIGVHVCASJ-GOSISDBHSA-N	1	1	360.889	2.409	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CCOCC1	ZINC000599392949	673668834	/nfs/dbraw/zinc/66/88/34/673668834.db2.gz	CGMLUQWZGJAONH-OKYOBFRVSA-N	1	1	350.503	2.463	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000599597321	673695821	/nfs/dbraw/zinc/69/58/21/673695821.db2.gz	SGGSVOQBGRVYTN-VCBZYWHSSA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000599597321	673695822	/nfs/dbraw/zinc/69/58/22/673695822.db2.gz	SGGSVOQBGRVYTN-VCBZYWHSSA-N	1	1	351.491	2.341	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)[C@@H](C)C1	ZINC000601357015	673847566	/nfs/dbraw/zinc/84/75/66/673847566.db2.gz	YGJLMWQUTYQBDV-BBRMVZONSA-N	1	1	353.463	2.357	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21	ZINC000601374140	673850839	/nfs/dbraw/zinc/85/08/39/673850839.db2.gz	BHCMFXGYJGRTSO-CJNGLKHVSA-N	1	1	351.447	2.111	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1	ZINC000818584727	675226029	/nfs/dbraw/zinc/22/60/29/675226029.db2.gz	WCWALPMFCLEMKY-LJQANCHMSA-N	1	1	351.491	2.095	20	30		FEEDMO
C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)c1nc(-c2ccc(Cl)cc2)no1	ZINC000819124065	675262875	/nfs/dbraw/zinc/26/28/75/675262875.db2.gz	LCIMLUKAYUVWSX-SWLSCSKDSA-N	1	1	363.849	2.247	20	30		FEEDMO
C=CC[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000567298663	675282290	/nfs/dbraw/zinc/28/22/90/675282290.db2.gz	KUFQYHZKGNQIIR-IRXDYDNUSA-N	1	1	352.425	2.445	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000819527299	675296433	/nfs/dbraw/zinc/29/64/33/675296433.db2.gz	KSZIOBPRMKFGSP-LSDHHAIUSA-N	1	1	352.479	2.126	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000819527297	675296452	/nfs/dbraw/zinc/29/64/52/675296452.db2.gz	KSZIOBPRMKFGSP-GJZGRUSLSA-N	1	1	352.479	2.126	20	30		FEEDMO
CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819545130	675297711	/nfs/dbraw/zinc/29/77/11/675297711.db2.gz	XUSIRBRMGPBCKE-HUUCEWRRSA-N	1	1	352.479	2.126	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819545130	675297713	/nfs/dbraw/zinc/29/77/13/675297713.db2.gz	XUSIRBRMGPBCKE-HUUCEWRRSA-N	1	1	352.479	2.126	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnc(OC)c(Br)c1	ZINC000820021662	675331011	/nfs/dbraw/zinc/33/10/11/675331011.db2.gz	UBQAWMRDOUNAMN-LBPRGKRZSA-N	1	1	353.216	2.107	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc(OC)c(Br)c1	ZINC000820021662	675331013	/nfs/dbraw/zinc/33/10/13/675331013.db2.gz	UBQAWMRDOUNAMN-LBPRGKRZSA-N	1	1	353.216	2.107	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Cl)cc1F	ZINC000820750081	675385053	/nfs/dbraw/zinc/38/50/53/675385053.db2.gz	KEDHLQGRHAPUCV-PBHICJAKSA-N	1	1	367.852	2.299	20	30		FEEDMO
C#CCN(CC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)C(=O)OC(C)(C)C	ZINC000823333226	675545460	/nfs/dbraw/zinc/54/54/60/675545460.db2.gz	URPRGMCPYOLMIY-HZPDHXFCSA-N	1	1	351.491	2.093	20	30		FEEDMO
NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C#Cc2cccs2)c1	ZINC000825389889	675650259	/nfs/dbraw/zinc/65/02/59/675650259.db2.gz	WEYMOMMLHUTDQI-KRWDZBQOSA-N	1	1	353.447	2.188	20	30		FEEDMO
NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C#Cc2cccs2)c1	ZINC000825389889	675650263	/nfs/dbraw/zinc/65/02/63/675650263.db2.gz	WEYMOMMLHUTDQI-KRWDZBQOSA-N	1	1	353.447	2.188	20	30		FEEDMO
C#CCOCCC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1	ZINC000830253085	677032306	/nfs/dbraw/zinc/03/23/06/677032306.db2.gz	LYNXZVWGXVAXNG-UHFFFAOYSA-N	1	1	358.467	2.027	20	30		FEEDMO
Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2ccc(Cl)cc2)cn1	ZINC000639972165	677170343	/nfs/dbraw/zinc/17/03/43/677170343.db2.gz	NKFMLMHVEGXBFR-GOSISDBHSA-N	1	1	356.857	2.319	20	30		FEEDMO
Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2ccc(Cl)cc2)cn1	ZINC000639972165	677170344	/nfs/dbraw/zinc/17/03/44/677170344.db2.gz	NKFMLMHVEGXBFR-GOSISDBHSA-N	1	1	356.857	2.319	20	30		FEEDMO
C=C(C)[C@H](CO)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1	ZINC000649223164	677327866	/nfs/dbraw/zinc/32/78/66/677327866.db2.gz	ZFBWNKSLKBIQFF-HNNXBMFYSA-N	1	1	362.499	2.285	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000838624157	680706717	/nfs/dbraw/zinc/70/67/17/680706717.db2.gz	JSPKRLDZERBASB-UHFFFAOYSA-N	1	1	356.329	2.273	20	30		FEEDMO
C#CCNS(=O)(=O)N1CC[NH+]([C@@H](C)c2ccc(C(C)(C)C)cc2)CC1	ZINC000761036740	680708281	/nfs/dbraw/zinc/70/82/81/680708281.db2.gz	IOKYJIANADVZNF-INIZCTEOSA-N	1	1	363.527	2.130	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(Oc2ccc(Cl)cn2)CC1	ZINC000839201617	680744602	/nfs/dbraw/zinc/74/46/02/680744602.db2.gz	WQSRFINVSLQWFS-ZDUSSCGKSA-N	1	1	350.850	2.339	20	30		FEEDMO
C=CCN(C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[C@@H](C)COC	ZINC000658376674	678078485	/nfs/dbraw/zinc/07/84/85/678078485.db2.gz	XTIFJEWKXBOJKW-ZDUSSCGKSA-N	1	1	367.877	2.390	20	30		FEEDMO
O=C(NC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1)N1CCOCC1	ZINC000660861051	678398456	/nfs/dbraw/zinc/39/84/56/678398456.db2.gz	BVWNBOQEDKWKLS-UHFFFAOYSA-N	1	1	361.873	2.198	20	30		FEEDMO
C=CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1	ZINC000661380582	678472836	/nfs/dbraw/zinc/47/28/36/678472836.db2.gz	OJMXEWMKYWLYJC-HNNXBMFYSA-N	1	1	365.499	2.164	20	30		FEEDMO
Clc1ncc(Br)cc1C=NNCCC[NH+]1CCOCC1	ZINC000842532337	680952151	/nfs/dbraw/zinc/95/21/51/680952151.db2.gz	UZAXBSBOQITYIA-UHFFFAOYSA-N	1	1	361.671	2.143	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCN3C(=O)OCC[C@@H]3C2)cc1Cl	ZINC000764446464	680809554	/nfs/dbraw/zinc/80/95/54/680809554.db2.gz	IGPNDYWOSMHABB-CQSZACIVSA-N	1	1	362.817	2.067	20	30		FEEDMO
C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CC[N@H+](CC)[C@@H](C)C1	ZINC000670230173	679276614	/nfs/dbraw/zinc/27/66/14/679276614.db2.gz	LSTLNWWDRFHXOR-JKSUJKDBSA-N	1	1	351.495	2.109	20	30		FEEDMO
C=C(Br)CN1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1	ZINC001016632552	680060126	/nfs/dbraw/zinc/06/01/26/680060126.db2.gz	RHRYURLGBQTBOY-RBSFLKMASA-N	1	1	370.335	2.206	20	30		FEEDMO
C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@@H]12	ZINC000991391853	680080180	/nfs/dbraw/zinc/08/01/80/680080180.db2.gz	WMVHMVVKTRFAGV-NYTXWWLZSA-N	1	1	362.392	2.022	20	30		FEEDMO
C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@@H]12	ZINC000991391848	680080231	/nfs/dbraw/zinc/08/02/31/680080231.db2.gz	WMVHMVVKTRFAGV-HGTKMLMNSA-N	1	1	362.392	2.022	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2C#N)C1	ZINC000751476319	680180933	/nfs/dbraw/zinc/18/09/33/680180933.db2.gz	RLNSXOBTMPNNJG-AWEZNQCLSA-N	1	1	351.447	2.050	20	30		FEEDMO
C[C@H]1C[N@@H+](C)CC1N=Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1	ZINC000752165233	680226209	/nfs/dbraw/zinc/22/62/09/680226209.db2.gz	HLLFWCDPRAMTCC-JTQLQIEISA-N	1	1	350.348	2.329	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCN2Cc2ccc(C#N)s2)CC[N@H+]1C	ZINC001027893041	680363472	/nfs/dbraw/zinc/36/34/72/680363472.db2.gz	KWKOETAWXQULEM-FHLIZLRMSA-N	1	1	360.527	2.431	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnsn2)CC1	ZINC000998139199	680377158	/nfs/dbraw/zinc/37/71/58/680377158.db2.gz	PMKPEEZSVPIRIM-IRXDYDNUSA-N	1	1	364.515	2.238	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)s1	ZINC001028697329	680380595	/nfs/dbraw/zinc/38/05/95/680380595.db2.gz	NMGGCYGWPHLGFK-DFEHZGFQSA-N	1	1	359.495	2.373	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]Cc2cnsn2)CC1	ZINC001029101638	680386172	/nfs/dbraw/zinc/38/61/72/680386172.db2.gz	LJMOKYAUYNKRHO-XYPHTWIQSA-N	1	1	364.515	2.236	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nn(C)cc2Cl)C1	ZINC000998785704	680388916	/nfs/dbraw/zinc/38/89/16/680388916.db2.gz	XXZFJTXCBLAHJI-GROLMSMHSA-N	1	1	366.893	2.134	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCOCC2)C1	ZINC001029739483	680390496	/nfs/dbraw/zinc/39/04/96/680390496.db2.gz	ORUYJAOHAIREII-OTWHNJEPSA-N	1	1	350.503	2.175	20	30		FEEDMO
N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)s1	ZINC000999414819	680402624	/nfs/dbraw/zinc/40/26/24/680402624.db2.gz	XHRUIXNBSWXTNL-DAXOMENPSA-N	1	1	355.467	2.227	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)s1	ZINC001031682301	680406238	/nfs/dbraw/zinc/40/62/38/680406238.db2.gz	DZYKOMJDYHAVPZ-ZWKOTPCHSA-N	1	1	352.463	2.366	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)s1	ZINC001031996453	680411332	/nfs/dbraw/zinc/41/13/32/680411332.db2.gz	XAYXKNQBWMXZBL-ZWKOTPCHSA-N	1	1	352.463	2.366	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCC[N@@H+](CC2CCOCC2)C1	ZINC001034440817	680436161	/nfs/dbraw/zinc/43/61/61/680436161.db2.gz	YWSDEDCUJUCLQH-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ncnc2c1c(Br)nn2C	ZINC000755890701	680442935	/nfs/dbraw/zinc/44/29/35/680442935.db2.gz	YBBBMZFZGGCVNG-QMMMGPOBSA-N	1	1	364.251	2.008	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)C[C@H]2CCCCO2)CC1	ZINC000985436191	680447739	/nfs/dbraw/zinc/44/77/39/680447739.db2.gz	XZXDYXPXFZKPJB-QRVBRYPASA-N	1	1	350.503	2.460	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC2CCCCCC2)CCO1	ZINC001035514314	680449335	/nfs/dbraw/zinc/44/93/35/680449335.db2.gz	CJHIRQFLPKSAES-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCCCC2)CCO1	ZINC001035543831	680450499	/nfs/dbraw/zinc/45/04/99/680450499.db2.gz	WPEVJPUEAYHJNX-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)C[C@@H]2CCCOC2)CC1	ZINC000985698131	680471888	/nfs/dbraw/zinc/47/18/88/680471888.db2.gz	YRYNTYOPGLYERT-WDSOQIARSA-N	1	1	350.503	2.317	20	30		FEEDMO
C[C@H]1CC(N=Nc2ccc(S(N)(=O)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000757560128	680526098	/nfs/dbraw/zinc/52/60/98/680526098.db2.gz	DFZTUYYLQPFXRK-AWEZNQCLSA-N	1	1	358.467	2.396	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N(C)C2CN(CC#Cc3ccccc3Cl)C2)CC[N@H+]1C	ZINC001042746823	680541988	/nfs/dbraw/zinc/54/19/88/680541988.db2.gz	PUGDIVGRDPCRJZ-CRAIPNDOSA-N	1	1	359.901	2.174	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N(C)C2CCN(Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C	ZINC001005407124	680574537	/nfs/dbraw/zinc/57/45/37/680574537.db2.gz	MFPRUUISPNIHEU-RDTXWAMCSA-N	1	1	360.527	2.383	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N(C)C2CCN(Cc3ccc(C#N)s3)CC2)CC[N@H+]1C	ZINC001005407124	680574538	/nfs/dbraw/zinc/57/45/38/680574538.db2.gz	MFPRUUISPNIHEU-RDTXWAMCSA-N	1	1	360.527	2.383	20	30		FEEDMO
Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](Nc2ncc(C#N)cc2Cl)C1	ZINC001043404276	680579814	/nfs/dbraw/zinc/57/98/14/680579814.db2.gz	QLRPUNMGKQSXBV-IAQYHMDHSA-N	1	1	358.833	2.071	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2C#N)[C@H]1c1ccccc1	ZINC000758442326	680580437	/nfs/dbraw/zinc/58/04/37/680580437.db2.gz	RKCSUHADGOEIJB-SJLPKXTDSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2C#N)[C@H]1c1ccccc1	ZINC000758442326	680580439	/nfs/dbraw/zinc/58/04/39/680580439.db2.gz	RKCSUHADGOEIJB-SJLPKXTDSA-N	1	1	359.426	2.421	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cncs2)CCC1(F)F	ZINC001046973301	680654975	/nfs/dbraw/zinc/65/49/75/680654975.db2.gz	KWCLUJAPCYMSEY-YUELXQCFSA-N	1	1	371.453	2.308	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cncs2)CCC1(F)F	ZINC001046973301	680654979	/nfs/dbraw/zinc/65/49/79/680654979.db2.gz	KWCLUJAPCYMSEY-YUELXQCFSA-N	1	1	371.453	2.308	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001047066074	680657014	/nfs/dbraw/zinc/65/70/14/680657014.db2.gz	VMHVWMGYVNZPNC-DDHJBXDOSA-N	1	1	367.906	2.315	20	30		FEEDMO
Cc1cccc2c1[C@@H](C)CC2=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000766687400	680884842	/nfs/dbraw/zinc/88/48/42/680884842.db2.gz	CCPKQXNEAIMMKT-HNNXBMFYSA-N	1	1	360.527	2.393	20	30		FEEDMO
C#CC[C@@H]1NC(=O)N(C[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1=O	ZINC000842245629	680934554	/nfs/dbraw/zinc/93/45/54/680934554.db2.gz	TYKNUKBYTKEALI-UHOFOFEASA-N	1	1	363.820	2.416	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CCCC1CCC1	ZINC001050924785	681058064	/nfs/dbraw/zinc/05/80/64/681058064.db2.gz	JPEGXUWRXKDGGS-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CCCC1CCC1	ZINC001050924785	681058068	/nfs/dbraw/zinc/05/80/68/681058068.db2.gz	JPEGXUWRXKDGGS-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC1CCCC1	ZINC001051153153	681064257	/nfs/dbraw/zinc/06/42/57/681064257.db2.gz	RGVIGZQEXVMCLV-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC1CCCC1	ZINC001051153153	681064259	/nfs/dbraw/zinc/06/42/59/681064259.db2.gz	RGVIGZQEXVMCLV-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
Cc1nsc(NC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)c1C#N	ZINC001054426862	681108760	/nfs/dbraw/zinc/10/87/60/681108760.db2.gz	XHEXCRUZGRLDKM-VHDGCEQUSA-N	1	1	361.515	2.171	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001057770992	681164142	/nfs/dbraw/zinc/16/41/42/681164142.db2.gz	QWGWNEOEVSDEJI-GRYCIOLGSA-N	1	1	367.906	2.411	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1	ZINC000932192593	681192164	/nfs/dbraw/zinc/19/21/64/681192164.db2.gz	MXFJYBSFNLYOMM-OLZOCXBDSA-N	1	1	362.499	2.212	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1	ZINC000932192593	681192170	/nfs/dbraw/zinc/19/21/70/681192170.db2.gz	MXFJYBSFNLYOMM-OLZOCXBDSA-N	1	1	362.499	2.212	20	30		FEEDMO
Cc1nsc(N2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1C#N	ZINC001060184925	681197759	/nfs/dbraw/zinc/19/77/59/681197759.db2.gz	ORRLQYGQOPRDBG-QLFBSQMISA-N	1	1	361.515	2.139	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)C1=O	ZINC000932709670	681293850	/nfs/dbraw/zinc/29/38/50/681293850.db2.gz	XIGYMMBREBGZCV-PMPSAXMXSA-N	1	1	351.491	2.256	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000932714946	681295286	/nfs/dbraw/zinc/29/52/86/681295286.db2.gz	XCWLSOCCEYLDNY-INIZCTEOSA-N	1	1	354.491	2.415	20	30		FEEDMO
CON1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC000846980215	681316243	/nfs/dbraw/zinc/31/62/43/681316243.db2.gz	CEYBIESHSUOHCE-UHFFFAOYSA-N	1	1	362.499	2.396	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCCO1	ZINC000775784089	681334547	/nfs/dbraw/zinc/33/45/47/681334547.db2.gz	GSUQNYMBORHPCB-WCFLWFBJSA-N	1	1	352.337	2.106	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@@H]1CCCO1	ZINC000775794940	681335718	/nfs/dbraw/zinc/33/57/18/681335718.db2.gz	UDNNVCWTEOASHB-HOTGVXAUSA-N	1	1	354.372	2.348	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@@H]1CCCO1	ZINC000775797377	681336066	/nfs/dbraw/zinc/33/60/66/681336066.db2.gz	DCUCZMYIVMNENL-XYJFISCASA-N	1	1	355.463	2.119	20	30		FEEDMO
C#C[C@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1	ZINC000847265516	681355469	/nfs/dbraw/zinc/35/54/69/681355469.db2.gz	AKXUXZDZCSHHGB-IRXDYDNUSA-N	1	1	360.527	2.091	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)CN(CC1CC1)C(=O)OC(C)(C)C	ZINC000777309649	681480771	/nfs/dbraw/zinc/48/07/71/681480771.db2.gz	CNDSHFRHPFKMIQ-INIZCTEOSA-N	1	1	350.459	2.274	20	30		FEEDMO
COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)CC(C)(C)C#N)CC2)cc1	ZINC000777817585	681534049	/nfs/dbraw/zinc/53/40/49/681534049.db2.gz	NEWBABAHRQCROB-UHFFFAOYSA-N	1	1	365.499	2.082	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCN(S(=O)(=O)CC(C)(C)C#N)CC2)cc1	ZINC000777817585	681534058	/nfs/dbraw/zinc/53/40/58/681534058.db2.gz	NEWBABAHRQCROB-UHFFFAOYSA-N	1	1	365.499	2.082	20	30		FEEDMO
N#Cc1cc(Br)ccc1CN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000934270373	681541005	/nfs/dbraw/zinc/54/10/05/681541005.db2.gz	UXIZWXSJXLSBAR-IRXDYDNUSA-N	1	1	364.287	2.352	20	30		FEEDMO
C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000934467510	681574738	/nfs/dbraw/zinc/57/47/38/681574738.db2.gz	RKHUOWVFZOWOCM-GOEBONIOSA-N	1	1	365.499	2.351	20	30		FEEDMO
C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000934467510	681574744	/nfs/dbraw/zinc/57/47/44/681574744.db2.gz	RKHUOWVFZOWOCM-GOEBONIOSA-N	1	1	365.499	2.351	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](CCCF)CCO2	ZINC000949370200	681635628	/nfs/dbraw/zinc/63/56/28/681635628.db2.gz	NQSLMPLKQQEYAF-SJORKVTESA-N	1	1	354.466	2.021	20	30		FEEDMO
C=CC1(CC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)CN(C(=O)OC(C)(C)C)C1	ZINC000935211444	681711275	/nfs/dbraw/zinc/71/12/75/681711275.db2.gz	CLOZLRVMGVTSHM-CABCVRRESA-N	1	1	351.491	2.351	20	30		FEEDMO
C=CCSCCNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1	ZINC000849510941	681755612	/nfs/dbraw/zinc/75/56/12/681755612.db2.gz	MUKKFHKFBOOYSV-SJORKVTESA-N	1	1	350.532	2.269	20	30		FEEDMO
C=CCCn1cc(C[NH2+]C[C@@H](O)c2cccc(Br)c2)nn1	ZINC000850286357	681879263	/nfs/dbraw/zinc/87/92/63/681879263.db2.gz	FLITZAOWCOHSGH-OAHLLOKOSA-N	1	1	351.248	2.440	20	30		FEEDMO
CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)Cc1csc(C#N)c1	ZINC000914200804	685498524	/nfs/dbraw/zinc/49/85/24/685498524.db2.gz	QATHNLYEQYGGSW-LSDHHAIUSA-N	1	1	353.513	2.398	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)Cc1csc(C#N)c1	ZINC000914200804	685498525	/nfs/dbraw/zinc/49/85/25/685498525.db2.gz	QATHNLYEQYGGSW-LSDHHAIUSA-N	1	1	353.513	2.398	20	30		FEEDMO
Cc1cccc(NCCNS(=O)(=O)Cc2c(C)cc(C#N)cc2C)[nH+]1	ZINC000914212654	685499144	/nfs/dbraw/zinc/49/91/44/685499144.db2.gz	GCXNPEPALVDOJA-UHFFFAOYSA-N	1	1	358.467	2.410	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)Cc2csc(C#N)c2)[C@H]1c1ccccc1	ZINC000914301794	685503097	/nfs/dbraw/zinc/50/30/97/685503097.db2.gz	JBUYLVNFUSECLY-DLBZAZTESA-N	1	1	361.492	2.485	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C(C)(C)C1	ZINC000941041447	682097115	/nfs/dbraw/zinc/09/71/15/682097115.db2.gz	MMLPHPJPVAIQQS-IIAWOOMASA-N	1	1	350.894	2.493	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C(C)(C)C1	ZINC000941041447	682097123	/nfs/dbraw/zinc/09/71/23/682097123.db2.gz	MMLPHPJPVAIQQS-IIAWOOMASA-N	1	1	350.894	2.493	20	30		FEEDMO
FC(F)(F)c1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1	ZINC000916309462	685523536	/nfs/dbraw/zinc/52/35/36/685523536.db2.gz	DCUGXPBYSKXQBL-UHFFFAOYSA-N	1	1	374.432	2.226	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2	ZINC000915892158	685519213	/nfs/dbraw/zinc/51/92/13/685519213.db2.gz	CJDUOJSEWYTQRM-IBGZPJMESA-N	1	1	361.511	2.423	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C1	ZINC000916664308	685526754	/nfs/dbraw/zinc/52/67/54/685526754.db2.gz	VKOGCEFZVONCQW-OLZOCXBDSA-N	1	1	373.400	2.149	20	30		FEEDMO
C#CCOCCNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000784601024	682240904	/nfs/dbraw/zinc/24/09/04/682240904.db2.gz	JXKKXUXRHAKNSA-QGZVFWFLSA-N	1	1	354.372	2.207	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)O[C@H](C)C(=O)N1CC[NH+](CC)CC1	ZINC000784752806	682252043	/nfs/dbraw/zinc/25/20/43/682252043.db2.gz	SZZUUSPCZLOLDE-CVEARBPZSA-N	1	1	355.479	2.053	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308584	682257822	/nfs/dbraw/zinc/25/78/22/682257822.db2.gz	JFMHVXHURJDZRF-GOSISDBHSA-N	1	1	354.495	2.276	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308584	682257824	/nfs/dbraw/zinc/25/78/24/682257824.db2.gz	JFMHVXHURJDZRF-GOSISDBHSA-N	1	1	354.495	2.276	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cs1	ZINC000917731986	685534182	/nfs/dbraw/zinc/53/41/82/685534182.db2.gz	JKVLSAHUVOTNLW-INIZCTEOSA-N	1	1	361.492	2.314	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cs1	ZINC000917731986	685534183	/nfs/dbraw/zinc/53/41/83/685534183.db2.gz	JKVLSAHUVOTNLW-INIZCTEOSA-N	1	1	361.492	2.314	20	30		FEEDMO
C[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1C[NH+](Cc2ccc(C#N)s2)C1	ZINC000970193142	682288047	/nfs/dbraw/zinc/28/80/47/682288047.db2.gz	OFGUGRHLSGOYPF-PJSAGSTRSA-N	1	1	359.495	2.371	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCCF)CCO2	ZINC000972591374	682424912	/nfs/dbraw/zinc/42/49/12/682424912.db2.gz	BBKMNJHOONPFQK-JENIJYKNSA-N	1	1	354.466	2.021	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCCF)CCO2	ZINC000972591374	682424913	/nfs/dbraw/zinc/42/49/13/682424913.db2.gz	BBKMNJHOONPFQK-JENIJYKNSA-N	1	1	354.466	2.021	20	30		FEEDMO
N#Cc1sccc1N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1	ZINC000853531252	682429061	/nfs/dbraw/zinc/42/90/61/682429061.db2.gz	NTFUQBQTRSJZGN-INIZCTEOSA-N	1	1	357.435	2.073	20	30		FEEDMO
NC(=NOCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)cs1	ZINC000789738993	682628291	/nfs/dbraw/zinc/62/82/91/682628291.db2.gz	NESSLZMHURRPJS-PHIMTYICSA-N	1	1	360.277	2.011	20	30		FEEDMO
NC(=NOCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)cs1	ZINC000789738993	682628293	/nfs/dbraw/zinc/62/82/93/682628293.db2.gz	NESSLZMHURRPJS-PHIMTYICSA-N	1	1	360.277	2.011	20	30		FEEDMO
Cn1c(CC#N)nn(CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1=S	ZINC000794637010	682985768	/nfs/dbraw/zinc/98/57/68/682985768.db2.gz	NOEQVBQJRAICLZ-INIZCTEOSA-N	1	1	356.499	2.181	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1ccccc1Cl)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000859070147	683033627	/nfs/dbraw/zinc/03/36/27/683033627.db2.gz	MEUSEGMJHOOXJP-AWEZNQCLSA-N	1	1	365.861	2.282	20	30		FEEDMO
C[N@H+](CC(=O)Nc1ccccc1Cl)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000859070147	683033631	/nfs/dbraw/zinc/03/36/31/683033631.db2.gz	MEUSEGMJHOOXJP-AWEZNQCLSA-N	1	1	365.861	2.282	20	30		FEEDMO
C=CCCOCCCCC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000926167589	683087049	/nfs/dbraw/zinc/08/70/49/683087049.db2.gz	TXEPEFFSNSTEDU-JYBIWHBTSA-N	1	1	352.519	2.345	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNc2cc(Br)cnc2C#N)CC1	ZINC000798216938	683322634	/nfs/dbraw/zinc/32/26/34/683322634.db2.gz	LLAVBKKGPIRHGL-CYBMUJFWSA-N	1	1	366.307	2.401	20	30		FEEDMO
N#CCCNC(=O)C[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1	ZINC000920760962	683366437	/nfs/dbraw/zinc/36/64/37/683366437.db2.gz	JBFJLEGLRCELIW-HNNXBMFYSA-N	1	1	350.260	2.486	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000798956583	683408419	/nfs/dbraw/zinc/40/84/19/683408419.db2.gz	DTBBUXFWLBOCET-HZPDHXFCSA-N	1	1	351.491	2.352	20	30		FEEDMO
C[C@@]1(C#N)CN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CCO1	ZINC000930033880	683671765	/nfs/dbraw/zinc/67/17/65/683671765.db2.gz	WHKSXDMWGFENRG-GOSISDBHSA-N	1	1	360.483	2.382	20	30		FEEDMO
C(=[NH+]NC[C@@H]1COc2ccccc2O1)c1ccc(N2CCOCC2)s1	ZINC000863202429	683684414	/nfs/dbraw/zinc/68/44/14/683684414.db2.gz	BNKJYXTVKWZSLT-CQSZACIVSA-N	1	1	359.451	2.348	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1	ZINC000930454476	683736097	/nfs/dbraw/zinc/73/60/97/683736097.db2.gz	XPCHMGVUQJNTGM-ZBFHGGJFSA-N	1	1	354.372	2.489	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1	ZINC000930454468	683736518	/nfs/dbraw/zinc/73/65/18/683736518.db2.gz	XPCHMGVUQJNTGM-GDBMZVCRSA-N	1	1	354.372	2.489	20	30		FEEDMO
CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1	ZINC000930605302	683758905	/nfs/dbraw/zinc/75/89/05/683758905.db2.gz	YFJLYKPCJQCTKQ-VWLOTQADSA-N	1	1	362.495	2.451	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)CCCc2nc(-c3cccs3)no2)C1	ZINC000923584151	684308789	/nfs/dbraw/zinc/30/87/89/684308789.db2.gz	UYMHHJATXMXCMN-AWEZNQCLSA-N	1	1	358.467	2.335	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)CCCc2nc(-c3cccs3)no2)C1	ZINC000923584151	684308794	/nfs/dbraw/zinc/30/87/94/684308794.db2.gz	UYMHHJATXMXCMN-AWEZNQCLSA-N	1	1	358.467	2.335	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C1	ZINC000923591987	684310225	/nfs/dbraw/zinc/31/02/25/684310225.db2.gz	NBHKOSIXIVTRHM-HNNXBMFYSA-N	1	1	359.857	2.294	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C1	ZINC000923591987	684310230	/nfs/dbraw/zinc/31/02/30/684310230.db2.gz	NBHKOSIXIVTRHM-HNNXBMFYSA-N	1	1	359.857	2.294	20	30		FEEDMO
C[N@H+](CCO)Cc1cc(NC(=O)[C@]2(C#N)CCCOC2)ccc1Cl	ZINC000868009327	684438875	/nfs/dbraw/zinc/43/88/75/684438875.db2.gz	DETVLIWGJGBLAT-KRWDZBQOSA-N	1	1	351.834	2.023	20	30		FEEDMO
C[N@@H+](CCO)Cc1cc(NC(=O)[C@]2(C#N)CCCOC2)ccc1Cl	ZINC000868009327	684438877	/nfs/dbraw/zinc/43/88/77/684438877.db2.gz	DETVLIWGJGBLAT-KRWDZBQOSA-N	1	1	351.834	2.023	20	30		FEEDMO
C=CCCC[C@@H]1NC(=O)N([C@H]2CC[N@H+](CCCOCC)C[C@H]2C)C1=O	ZINC000924630979	684476021	/nfs/dbraw/zinc/47/60/21/684476021.db2.gz	CKWYCEVTEOGDMW-IKGGRYGDSA-N	1	1	351.491	2.400	20	30		FEEDMO
C=CCn1c(Cc2nc(C)cs2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000871050139	684782388	/nfs/dbraw/zinc/78/23/88/684782388.db2.gz	GSAAVZMQPARRHD-LSDHHAIUSA-N	1	1	358.515	2.350	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])c1nc(CC(=O)NCc2ccc(F)c(F)c2)no1	ZINC000872181270	684925710	/nfs/dbraw/zinc/92/57/10/684925710.db2.gz	ZQUJRTRDZYDDGP-GFCCVEGCSA-N	1	1	356.760	2.349	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1	ZINC000876709278	686249131	/nfs/dbraw/zinc/24/91/31/686249131.db2.gz	NYODVIVEZBDYDY-DLBZAZTESA-N	1	1	351.878	2.418	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000876719814	686252811	/nfs/dbraw/zinc/25/28/11/686252811.db2.gz	WEMOIUDNWXEEGZ-RVKKMQEKSA-N	1	1	365.905	2.382	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000877194989	686338819	/nfs/dbraw/zinc/33/88/19/686338819.db2.gz	ZVWCWRBNHIOSAH-UHFFFAOYSA-N	1	1	352.334	2.304	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C(C)C	ZINC000878190836	686538667	/nfs/dbraw/zinc/53/86/67/686538667.db2.gz	RHNOJQGVNGDEFP-ZJPYXAASSA-N	1	1	368.543	2.157	20	30		FEEDMO
N#Cc1sccc1N1CC[NH+](C[C@@H](O)C[C@@H](O)c2ccccc2)CC1	ZINC000878888595	686683878	/nfs/dbraw/zinc/68/38/78/686683878.db2.gz	QDQGXQSOSSCOPM-FUHWJXTLSA-N	1	1	357.479	2.226	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1	ZINC000880050400	686986150	/nfs/dbraw/zinc/98/61/50/686986150.db2.gz	BYTCEURTIANHDH-INWMFGNUSA-N	1	1	358.360	2.340	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](CF)C1	ZINC000880291611	687028506	/nfs/dbraw/zinc/02/85/06/687028506.db2.gz	HHEGMUOTDQBOBN-HNNXBMFYSA-N	1	1	350.438	2.243	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@H](CF)C1	ZINC000880291611	687028511	/nfs/dbraw/zinc/02/85/11/687028511.db2.gz	HHEGMUOTDQBOBN-HNNXBMFYSA-N	1	1	350.438	2.243	20	30		FEEDMO
C#CCC1(O)CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OC(F)F)CC1	ZINC000880479264	687052448	/nfs/dbraw/zinc/05/24/48/687052448.db2.gz	RJIBXDLCMZUOGL-ZDUSSCGKSA-N	1	1	352.381	2.465	20	30		FEEDMO
C#CCC1(O)CC[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1	ZINC000880480344	687052558	/nfs/dbraw/zinc/05/25/58/687052558.db2.gz	POYWWDOQMCQUOU-UHFFFAOYSA-N	1	1	356.344	2.374	20	30		FEEDMO
N#Cc1cnc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c(Br)c1	ZINC000881796055	687218737	/nfs/dbraw/zinc/21/87/37/687218737.db2.gz	SWQFLIZHZXQERS-AWEZNQCLSA-N	1	1	365.275	2.407	20	30		FEEDMO
N#Cc1cnc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c(Br)c1	ZINC000881796055	687218744	/nfs/dbraw/zinc/21/87/44/687218744.db2.gz	SWQFLIZHZXQERS-AWEZNQCLSA-N	1	1	365.275	2.407	20	30		FEEDMO
CC(C)(C)OCCC[NH+]1CCN(C(=O)CC2(C#N)CCOCC2)CC1	ZINC000882331827	687349295	/nfs/dbraw/zinc/34/92/95/687349295.db2.gz	OKQQEQPBCCBUCZ-UHFFFAOYSA-N	1	1	351.491	2.046	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883079900	687558792	/nfs/dbraw/zinc/55/87/92/687558792.db2.gz	JBJHKHQDXZUWRW-UHFFFAOYSA-N	1	1	363.219	2.433	20	30		FEEDMO
Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2nc(C#N)cs2)CC1	ZINC000897279173	689999478	/nfs/dbraw/zinc/99/94/78/689999478.db2.gz	IGYQXCXYBOQZCX-UHFFFAOYSA-N	1	1	357.439	2.471	20	30		FEEDMO
C[C@@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1cc(C#N)ccn1	ZINC000903327291	690882833	/nfs/dbraw/zinc/88/28/33/690882833.db2.gz	ZLRUCFAKQJJQOP-OTYXRUKQSA-N	1	1	372.226	2.325	20	30		FEEDMO
N#Cc1cccc(NC(=O)C2CC[NH+](CC[S@@](=O)C(F)(F)F)CC2)c1	ZINC000905924122	691197105	/nfs/dbraw/zinc/19/71/05/691197105.db2.gz	OOEOCEHSZWOZSA-RUZDIDTESA-N	1	1	373.400	2.477	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNC(=O)C(F)(F)c2ccccc2C#N)CCCO1	ZINC000907757845	691554349	/nfs/dbraw/zinc/55/43/49/691554349.db2.gz	XWZRKJJMCULAGG-AWEZNQCLSA-N	1	1	351.397	2.267	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(OC)c(C#N)cn1)C2	ZINC001164808537	720070276	/nfs/dbraw/zinc/07/02/76/720070276.db2.gz	HYSYXBTXLBMQCX-PXNSSMCTSA-N	1	1	356.470	2.147	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164726920	720370431	/nfs/dbraw/zinc/37/04/31/720370431.db2.gz	PVTQOICXPLIRCG-SJORKVTESA-N	1	1	350.382	2.110	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Cl)ncc4C#N)C[C@@H]3C2)cn1	ZINC001164771595	721082602	/nfs/dbraw/zinc/08/26/02/721082602.db2.gz	SDUVWHIHUVYMOZ-HOCLYGCPSA-N	1	1	356.861	2.298	20	30		FEEDMO
N#Cc1nc(Cl)cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164897216	721519499	/nfs/dbraw/zinc/51/94/99/721519499.db2.gz	FIXFYLQWBOOFMY-ZFWWWQNUSA-N	1	1	373.819	2.483	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2C#N)[C@H]2CCCO[C@@H]12	ZINC001164805579	721535692	/nfs/dbraw/zinc/53/56/92/721535692.db2.gz	MJWJQQSXHRXKNZ-IPMKNSEASA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(F)cc2C#N)[C@H]2CCCO[C@@H]12	ZINC001164805579	721535696	/nfs/dbraw/zinc/53/56/96/721535696.db2.gz	MJWJQQSXHRXKNZ-IPMKNSEASA-N	1	1	367.428	2.356	20	30		FEEDMO
N#Cc1nccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164907943	721584815	/nfs/dbraw/zinc/58/48/15/721584815.db2.gz	WZUMJFXVCSCCBU-GOSISDBHSA-N	1	1	370.407	2.481	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CNc1ccc(C#N)cn1	ZINC000497736588	887174590	/nfs/dbraw/zinc/17/45/90/887174590.db2.gz	CPQQZKCRQJUGJW-QGZVFWFLSA-N	1	1	363.465	2.488	20	30		FEEDMO
Cc1cc(=NC(=O)N2CC[NH+](Cc3ccccc3)CC2)[nH]n1CCC#N	ZINC000512511693	538975736	/nfs/dbraw/zinc/97/57/36/538975736.db2.gz	KMXXFNVSCARSFA-UHFFFAOYSA-N	1	1	352.442	2.455	20	30		FEEDMO
COc1ccccc1[C@H](CNC(=O)COc1ccc(C#N)cc1)[NH+](C)C	ZINC000008088722	539476048	/nfs/dbraw/zinc/47/60/48/539476048.db2.gz	WYZKSXRPKPRUBT-SFHVURJKSA-N	1	1	353.422	2.365	20	30		FEEDMO
C=CCOc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1	ZINC000549848481	674066726	/nfs/dbraw/zinc/06/67/26/674066726.db2.gz	OMCYZXWLFKGPNW-UHFFFAOYSA-N	1	1	350.484	2.251	20	30		FEEDMO
C=CCOc1ccccc1C[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1	ZINC000549848481	674066731	/nfs/dbraw/zinc/06/67/31/674066731.db2.gz	OMCYZXWLFKGPNW-UHFFFAOYSA-N	1	1	350.484	2.251	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1	ZINC000024593982	539734737	/nfs/dbraw/zinc/73/47/37/539734737.db2.gz	LAAHQFQLYYPLFO-KRWDZBQOSA-N	1	1	372.513	2.328	20	30		FEEDMO
N#Cc1cc(F)c(S(=O)(=O)NCCCCC[NH+]2CCCC2)c(F)c1	ZINC000549916104	674071388	/nfs/dbraw/zinc/07/13/88/674071388.db2.gz	ZKOBZYWCMVCOJR-UHFFFAOYSA-N	1	1	357.426	2.381	20	30		FEEDMO
Cc1cc(CN2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)on1	ZINC000026339813	539783874	/nfs/dbraw/zinc/78/38/74/539783874.db2.gz	ONRPHNHEQLJRCK-UHFFFAOYSA-N	1	1	353.426	2.001	20	30		FEEDMO
C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCOc1ccc(C#N)cc1	ZINC000028727415	539835818	/nfs/dbraw/zinc/83/58/18/539835818.db2.gz	OYLHQGDDPPTOQB-CQSZACIVSA-N	1	1	359.451	2.277	20	30		FEEDMO
C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCOc1ccc(C#N)cc1	ZINC000028727417	539835829	/nfs/dbraw/zinc/83/58/29/539835829.db2.gz	OYLHQGDDPPTOQB-AWEZNQCLSA-N	1	1	359.451	2.277	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)CC3CCCCC3)CC2)o1	ZINC000029714605	539862488	/nfs/dbraw/zinc/86/24/88/539862488.db2.gz	VYYOTBYJVYQLOR-UHFFFAOYSA-N	1	1	359.474	2.015	20	30		FEEDMO
N#Cc1ccc(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1	ZINC000031663585	539915424	/nfs/dbraw/zinc/91/54/24/539915424.db2.gz	HAVSXXIOZFZTSB-LJQANCHMSA-N	1	1	350.422	2.099	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC3CCC(O)CC3)CC2)cc1	ZINC000042962322	540084232	/nfs/dbraw/zinc/08/42/32/540084232.db2.gz	BJXLOYNTCCEGHJ-UHFFFAOYSA-N	1	1	356.470	2.079	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)cc2C1=O	ZINC000044532638	540130016	/nfs/dbraw/zinc/13/00/16/540130016.db2.gz	XCGBNAORUIBNGX-CQSZACIVSA-N	1	1	355.438	2.073	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000550420590	674094387	/nfs/dbraw/zinc/09/43/87/674094387.db2.gz	XDALMKVULRXROX-LBPRGKRZSA-N	1	1	362.499	2.456	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCOCC1	ZINC000045492488	540214827	/nfs/dbraw/zinc/21/48/27/540214827.db2.gz	FHEKXAJCZIDDMX-IBGZPJMESA-N	1	1	358.486	2.447	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C	ZINC000050165988	540401728	/nfs/dbraw/zinc/40/17/28/540401728.db2.gz	URISWRUTFALONS-OAHLLOKOSA-N	1	1	372.469	2.276	20	30		FEEDMO
C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCOc1cccc(C#N)c1	ZINC000051563339	540437596	/nfs/dbraw/zinc/43/75/96/540437596.db2.gz	HJTIVQOCXNUDKC-CQSZACIVSA-N	1	1	359.451	2.277	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000052409177	540464906	/nfs/dbraw/zinc/46/49/06/540464906.db2.gz	YVZQBOGLFJOXHX-SFHVURJKSA-N	1	1	367.497	2.074	20	30		FEEDMO
Cc1ccc(-n2nnnc2N2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1	ZINC000054042980	540566489	/nfs/dbraw/zinc/56/64/89/540566489.db2.gz	NCJXCIUVEOPOMH-UHFFFAOYSA-N	1	1	359.437	2.165	20	30		FEEDMO
Cc1noc([C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)n1	ZINC000054341557	540584341	/nfs/dbraw/zinc/58/43/41/540584341.db2.gz	KYXJCJJRLSZXOG-IRXDYDNUSA-N	1	1	356.426	2.063	20	30		FEEDMO
COc1ccc(C(=O)C2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)cc1	ZINC000054886799	540615538	/nfs/dbraw/zinc/61/55/38/540615538.db2.gz	QGLPZRPKQSQVQS-OAHLLOKOSA-N	1	1	357.454	2.350	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(C#N)c2)C1	ZINC000054946181	540618154	/nfs/dbraw/zinc/61/81/54/540618154.db2.gz	VJWZYPIFDOQONT-GASCZTMLSA-N	1	1	356.470	2.369	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000055031524	540622566	/nfs/dbraw/zinc/62/25/66/540622566.db2.gz	NQLWPERZBZIUNW-OAHLLOKOSA-N	1	1	357.458	2.033	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)c1ccc(COc2ccccc2C#N)o1	ZINC000055341605	540647845	/nfs/dbraw/zinc/64/78/45/540647845.db2.gz	JFFFSKFTGBCWHV-UHFFFAOYSA-N	1	1	371.437	2.428	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)CC1	ZINC000057152821	540773634	/nfs/dbraw/zinc/77/36/34/540773634.db2.gz	XRNKEQMWBPMKMA-UHFFFAOYSA-N	1	1	369.509	2.075	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC(C#N)CC3)c2)CCO1	ZINC000057995548	540826349	/nfs/dbraw/zinc/82/63/49/540826349.db2.gz	NYAPCAYHLWLGBO-MRXNPFEDSA-N	1	1	356.470	2.352	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC(C#N)CC3)c2)CCO1	ZINC000057995548	540826352	/nfs/dbraw/zinc/82/63/52/540826352.db2.gz	NYAPCAYHLWLGBO-MRXNPFEDSA-N	1	1	356.470	2.352	20	30		FEEDMO
N#Cc1ccccc1OCC[NH+]1CCN(Cc2cn3ccccc3n2)CC1	ZINC000060466277	541113291	/nfs/dbraw/zinc/11/32/91/541113291.db2.gz	HVNKQJDZXWAFTH-UHFFFAOYSA-N	1	1	361.449	2.403	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](C)C1	ZINC000062121100	541145297	/nfs/dbraw/zinc/14/52/97/541145297.db2.gz	OCMWGFHIVTVYNC-CHWSQXEVSA-N	1	1	362.861	2.387	20	30		FEEDMO
C[N@@H+](CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)Cc1ccccc1	ZINC000066241213	541294291	/nfs/dbraw/zinc/29/42/91/541294291.db2.gz	VVEIOZSPSDEUAJ-UHFFFAOYSA-N	1	1	374.448	2.188	20	30		FEEDMO
C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437723	541318270	/nfs/dbraw/zinc/31/82/70/541318270.db2.gz	CVHGCFHYJTULGK-MRXNPFEDSA-N	1	1	355.486	2.303	20	30		FEEDMO
C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437723	541318273	/nfs/dbraw/zinc/31/82/73/541318273.db2.gz	CVHGCFHYJTULGK-MRXNPFEDSA-N	1	1	355.486	2.303	20	30		FEEDMO
CCN([C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)N(C)CCC#N	ZINC000066912688	541392130	/nfs/dbraw/zinc/39/21/30/541392130.db2.gz	DWCYZPOLLTUUDI-FUHWJXTLSA-N	1	1	364.515	2.234	20	30		FEEDMO
N#Cc1cccnc1N1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1	ZINC000066960673	541401515	/nfs/dbraw/zinc/40/15/15/541401515.db2.gz	FANVYHCLDNXAQX-UHFFFAOYSA-N	1	1	366.421	2.273	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000067397563	541456532	/nfs/dbraw/zinc/45/65/32/541456532.db2.gz	JNWYZWGJWRBQAQ-GJZGRUSLSA-N	1	1	372.469	2.132	20	30		FEEDMO
Cc1cc(N2CCC(N(C)S(=O)(=O)CCCCC#N)CC2)nc(C)[nH+]1	ZINC000068911076	541639890	/nfs/dbraw/zinc/63/98/90/541639890.db2.gz	QDUKXAPQNNLUPZ-UHFFFAOYSA-N	1	1	365.503	2.018	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N(CCOC)Cc2ccc(C#N)cc2)C1	ZINC000069591908	541699677	/nfs/dbraw/zinc/69/96/77/541699677.db2.gz	IIUFKWRQSYQIDQ-LJQANCHMSA-N	1	1	358.486	2.448	20	30		FEEDMO
COc1cccc([C@H](CNS(=O)(=O)CCC(C)(C)C#N)[NH+](C)C)c1	ZINC000550826645	674113180	/nfs/dbraw/zinc/11/31/80/674113180.db2.gz	GFEAJXDZXBKALQ-INIZCTEOSA-N	1	1	353.488	2.157	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)C3CCC(C)CC3)CC2)o1	ZINC000071939171	541776474	/nfs/dbraw/zinc/77/64/74/541776474.db2.gz	MGONZCJDLAPRJZ-UHFFFAOYSA-N	1	1	359.474	2.014	20	30		FEEDMO
COCCOC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000072796415	541866448	/nfs/dbraw/zinc/86/64/48/541866448.db2.gz	NZPQFESTGGLEMK-CYBMUJFWSA-N	1	1	351.834	2.135	20	30		FEEDMO
COCCOC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000072796415	541866453	/nfs/dbraw/zinc/86/64/53/541866453.db2.gz	NZPQFESTGGLEMK-CYBMUJFWSA-N	1	1	351.834	2.135	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1	ZINC000076911747	542329814	/nfs/dbraw/zinc/32/98/14/542329814.db2.gz	AKKKMQOALFHCSX-SFHVURJKSA-N	1	1	371.485	2.425	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1	ZINC000076911747	542329818	/nfs/dbraw/zinc/32/98/18/542329818.db2.gz	AKKKMQOALFHCSX-SFHVURJKSA-N	1	1	371.485	2.425	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000080927333	542616113	/nfs/dbraw/zinc/61/61/13/542616113.db2.gz	LSIKTXQFMPTOEM-KRWDZBQOSA-N	1	1	358.486	2.465	20	30		FEEDMO
Cn1ncnc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000091186116	542796947	/nfs/dbraw/zinc/79/69/47/542796947.db2.gz	VYPRTJAIPBQYKB-IRXDYDNUSA-N	1	1	354.458	2.347	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000092284410	542854227	/nfs/dbraw/zinc/85/42/27/542854227.db2.gz	LEEYDEZJXMBHJY-LXPRWKDFSA-N	1	1	371.485	2.427	20	30		FEEDMO
CCOC(=O)c1ccc(N2CCC[N@H+](Cc3ccc(C#N)o3)CC2)nc1	ZINC000092644063	542876601	/nfs/dbraw/zinc/87/66/01/542876601.db2.gz	QIKHJXVJINVNFN-UHFFFAOYSA-N	1	1	354.410	2.435	20	30		FEEDMO
CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(C#N)o3)CC2)nc1	ZINC000092644063	542876605	/nfs/dbraw/zinc/87/66/05/542876605.db2.gz	QIKHJXVJINVNFN-UHFFFAOYSA-N	1	1	354.410	2.435	20	30		FEEDMO
N#Cc1cc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)ccc1F	ZINC000093260334	542921942	/nfs/dbraw/zinc/92/19/42/542921942.db2.gz	LYFJTLAHERCZRI-UHFFFAOYSA-N	1	1	354.385	2.235	20	30		FEEDMO
C=CCOc1ccc(C[NH+]2CCN(c3ccnc(N(C)C)n3)CC2)cc1	ZINC000093562663	542933672	/nfs/dbraw/zinc/93/36/72/542933672.db2.gz	IETOLEGENGPTCI-UHFFFAOYSA-N	1	1	353.470	2.430	20	30		FEEDMO
C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)cc1	ZINC000093867939	542943452	/nfs/dbraw/zinc/94/34/52/542943452.db2.gz	GMBYEYFDXQNSTD-UHFFFAOYSA-N	1	1	363.414	2.439	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1	ZINC000101607846	543036962	/nfs/dbraw/zinc/03/69/62/543036962.db2.gz	DJSVPPGDOYXLBI-MRXNPFEDSA-N	1	1	373.476	2.261	20	30		FEEDMO
CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(C(=O)N(C)C)cc1	ZINC000102931665	543085898	/nfs/dbraw/zinc/08/58/98/543085898.db2.gz	IYVLGWHTLURJRB-HXUWFJFHSA-N	1	1	358.486	2.265	20	30		FEEDMO
CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccc(C(=O)N(C)C)cc1	ZINC000102931665	543085901	/nfs/dbraw/zinc/08/59/01/543085901.db2.gz	IYVLGWHTLURJRB-HXUWFJFHSA-N	1	1	358.486	2.265	20	30		FEEDMO
CNC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000104671792	543136460	/nfs/dbraw/zinc/13/64/60/543136460.db2.gz	ZRMPNYUKHTULJE-HNNXBMFYSA-N	1	1	374.510	2.428	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(CC#N)cc2)CC1=O	ZINC000105316077	543170793	/nfs/dbraw/zinc/17/07/93/543170793.db2.gz	YPYHNTUFIGNXRQ-AEFFLSMTSA-N	1	1	354.454	2.024	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H]1CCCN1c1cccnn1	ZINC000106087282	543193628	/nfs/dbraw/zinc/19/36/28/543193628.db2.gz	SCODVWQOQKFBIN-WBVHZDCISA-N	1	1	364.453	2.276	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000106150530	543208922	/nfs/dbraw/zinc/20/89/22/543208922.db2.gz	MCTORMFWOPNLQP-MRXNPFEDSA-N	1	1	373.501	2.044	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000106150530	543208925	/nfs/dbraw/zinc/20/89/25/543208925.db2.gz	MCTORMFWOPNLQP-MRXNPFEDSA-N	1	1	373.501	2.044	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1C#N	ZINC000106398642	543228447	/nfs/dbraw/zinc/22/84/47/543228447.db2.gz	MJWQHIYIMWQKJM-UHFFFAOYSA-N	1	1	374.510	2.081	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000108606648	543297195	/nfs/dbraw/zinc/29/71/95/543297195.db2.gz	WXOCZEFPKMWZEQ-HNNXBMFYSA-N	1	1	374.510	2.479	20	30		FEEDMO
C=CC[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1cccc(C#N)c1	ZINC000112691621	543456937	/nfs/dbraw/zinc/45/69/37/543456937.db2.gz	UAHNISVBHUCCIB-UHFFFAOYSA-N	1	1	352.438	2.411	20	30		FEEDMO
COc1ccc([C@@H](CO)[N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)cc1	ZINC000112996455	543472049	/nfs/dbraw/zinc/47/20/49/543472049.db2.gz	XPDNEQJXWCLKNX-GOSISDBHSA-N	1	1	359.470	2.345	20	30		FEEDMO
COc1ccc([C@@H](CO)[N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)cc1	ZINC000112996455	543472051	/nfs/dbraw/zinc/47/20/51/543472051.db2.gz	XPDNEQJXWCLKNX-GOSISDBHSA-N	1	1	359.470	2.345	20	30		FEEDMO
COc1ccc([C@H](CO)[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000113510075	543489524	/nfs/dbraw/zinc/48/95/24/543489524.db2.gz	LPLDSKZJJFECFI-NQIIRXRSSA-N	1	1	370.449	2.166	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C(C)(C)C(=O)N(C)C	ZINC000114458345	543517216	/nfs/dbraw/zinc/51/72/16/543517216.db2.gz	ZSPVWDSFYVHWGE-CYBMUJFWSA-N	1	1	362.499	2.476	20	30		FEEDMO
CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)CC(C)(C)O	ZINC000114487004	543520895	/nfs/dbraw/zinc/52/08/95/543520895.db2.gz	FOTXHPBZXSTUFB-UHFFFAOYSA-N	1	1	364.490	2.044	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](CCCOc2cccc(Cl)c2)CC1	ZINC000116036905	543596163	/nfs/dbraw/zinc/59/61/63/543596163.db2.gz	MALFFDJZUUMIOZ-UHFFFAOYSA-N	1	1	351.878	2.029	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)C1	ZINC000118897879	543661734	/nfs/dbraw/zinc/66/17/34/543661734.db2.gz	SXPBGNGUNAHRCR-LSDHHAIUSA-N	1	1	374.510	2.335	20	30		FEEDMO
COCCCOC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000122708643	543718888	/nfs/dbraw/zinc/71/88/88/543718888.db2.gz	YNOYVNFKOPDZBN-INIZCTEOSA-N	1	1	351.491	2.235	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1	ZINC000122818776	543725616	/nfs/dbraw/zinc/72/56/16/543725616.db2.gz	OQLUZDFGBPBMDR-HNAYVOBHSA-N	1	1	362.433	2.276	20	30		FEEDMO
COCCOc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)cc1	ZINC000122961128	543734277	/nfs/dbraw/zinc/73/42/77/543734277.db2.gz	FAJXQJOONQTIOA-UHFFFAOYSA-N	1	1	352.438	2.301	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[N@@H+]1C1CC1	ZINC000124069931	543799787	/nfs/dbraw/zinc/79/97/87/543799787.db2.gz	VZCJNNAVYHMURQ-PWSUYJOCSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[N@H+]1C1CC1	ZINC000124069931	543799789	/nfs/dbraw/zinc/79/97/89/543799789.db2.gz	VZCJNNAVYHMURQ-PWSUYJOCSA-N	1	1	373.400	2.481	20	30		FEEDMO
C=C[C@@H](CC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1	ZINC000125913365	543908531	/nfs/dbraw/zinc/90/85/31/543908531.db2.gz	SRKZHUSGPNOIST-QFBILLFUSA-N	1	1	355.482	2.287	20	30		FEEDMO
N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c(F)c1	ZINC000125755332	543899796	/nfs/dbraw/zinc/89/97/96/543899796.db2.gz	XDJMQHKRWIILRC-CQSZACIVSA-N	1	1	369.437	2.379	20	30		FEEDMO
N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1	ZINC000125755332	543899797	/nfs/dbraw/zinc/89/97/97/543899797.db2.gz	XDJMQHKRWIILRC-CQSZACIVSA-N	1	1	369.437	2.379	20	30		FEEDMO
N#Cc1cc(F)c(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(F)c1	ZINC000127109877	543973366	/nfs/dbraw/zinc/97/33/66/543973366.db2.gz	XQMWXWMGQUPKKF-CVEARBPZSA-N	1	1	371.387	2.202	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000128711073	544067687	/nfs/dbraw/zinc/06/76/87/544067687.db2.gz	QMPBTBIIWDYDBE-AWEZNQCLSA-N	1	1	353.463	2.344	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1	ZINC000128216534	544039266	/nfs/dbraw/zinc/03/92/66/544039266.db2.gz	LVWKSQNSOSAIKD-YJBOKZPZSA-N	1	1	355.463	2.500	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000130492980	544153596	/nfs/dbraw/zinc/15/35/96/544153596.db2.gz	VBSIJTPMZISEKJ-KRWDZBQOSA-N	1	1	372.513	2.105	20	30		FEEDMO
C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)N1CCSCC1	ZINC000130810991	544165847	/nfs/dbraw/zinc/16/58/47/544165847.db2.gz	HMBMGYFMTZGZTJ-QGZVFWFLSA-N	1	1	372.538	2.030	20	30		FEEDMO
C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)N1CCSCC1	ZINC000130810991	544165852	/nfs/dbraw/zinc/16/58/52/544165852.db2.gz	HMBMGYFMTZGZTJ-QGZVFWFLSA-N	1	1	372.538	2.030	20	30		FEEDMO
C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000131143450	544178052	/nfs/dbraw/zinc/17/80/52/544178052.db2.gz	IRESTMQBKKFRJY-KRWDZBQOSA-N	1	1	352.500	2.355	20	30		FEEDMO
CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CCCC[C@@H]2O)CC1=O	ZINC000132138552	544220603	/nfs/dbraw/zinc/22/06/03/544220603.db2.gz	VSZVDYDCRBMEHL-CJNGLKHVSA-N	1	1	354.454	2.197	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000133283322	544263140	/nfs/dbraw/zinc/26/31/40/544263140.db2.gz	JYRARMABGOULSX-UHFFFAOYSA-N	1	1	367.453	2.480	20	30		FEEDMO
C=C[C@@H](CC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1)c1ccccc1	ZINC000134564742	544312915	/nfs/dbraw/zinc/31/29/15/544312915.db2.gz	NRONAFDYMSBTJI-HKUYNNGSSA-N	1	1	355.482	2.111	20	30		FEEDMO
C=C[C@H](CC(=O)N1CCC[C@H](C(=O)N2CC[NH+](C)CC2)C1)c1ccccc1	ZINC000134672444	544317712	/nfs/dbraw/zinc/31/77/12/544317712.db2.gz	SEWGBYJTDKQDRB-QUCCMNQESA-N	1	1	369.509	2.359	20	30		FEEDMO
C=C(C)COCCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000134995374	544330601	/nfs/dbraw/zinc/33/06/01/544330601.db2.gz	IQGWAWBVXHUVKT-GOSISDBHSA-N	1	1	360.502	2.089	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1	ZINC000139268705	544401159	/nfs/dbraw/zinc/40/11/59/544401159.db2.gz	UJQRQXMXBMXUOY-UHFFFAOYSA-N	1	1	371.481	2.492	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)C[NH+]1CCOCC1	ZINC000150718119	544463953	/nfs/dbraw/zinc/46/39/53/544463953.db2.gz	KGIHAXQQVWIGNT-APWZRJJASA-N	1	1	359.470	2.046	20	30		FEEDMO
N#Cc1ccc(Oc2cccc(NC(=O)N3CC[NH+](CCO)CC3)c2)cc1	ZINC000150965788	544490904	/nfs/dbraw/zinc/49/09/04/544490904.db2.gz	QIEFCXGDIFDRQQ-UHFFFAOYSA-N	1	1	366.421	2.492	20	30		FEEDMO
C[NH+](C)CC1CCC(NS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000151729049	544573282	/nfs/dbraw/zinc/57/32/82/544573282.db2.gz	OWNFENPNGDCJKB-UHFFFAOYSA-N	1	1	357.426	2.235	20	30		FEEDMO
C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)C[N@H+]1Cc1ccccc1	ZINC000152001560	544605278	/nfs/dbraw/zinc/60/52/78/544605278.db2.gz	PJPRNBVXXODUSS-WBVHZDCISA-N	1	1	370.478	2.142	20	30		FEEDMO
N#Cc1cnc2ccccc2c1N1CC[NH+](CCOC[C@H]2CCCO2)CC1	ZINC000152211715	544626188	/nfs/dbraw/zinc/62/61/88/544626188.db2.gz	TXAAGBSGFLRAFF-GOSISDBHSA-N	1	1	366.465	2.424	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1	ZINC000152668239	544681908	/nfs/dbraw/zinc/68/19/08/544681908.db2.gz	WBGJWORAYXJFSG-ZDUSSCGKSA-N	1	1	362.499	2.213	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1	ZINC000152668239	544681912	/nfs/dbraw/zinc/68/19/12/544681912.db2.gz	WBGJWORAYXJFSG-ZDUSSCGKSA-N	1	1	362.499	2.213	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000152857649	544704707	/nfs/dbraw/zinc/70/47/07/544704707.db2.gz	ZESOLDWJIXJDBT-MLGOLLRUSA-N	1	1	353.875	2.316	20	30		FEEDMO
Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000153320186	544760135	/nfs/dbraw/zinc/76/01/35/544760135.db2.gz	JSXDDRZCKOUKQT-CQSZACIVSA-N	1	1	354.458	2.372	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000153410501	544772659	/nfs/dbraw/zinc/77/26/59/544772659.db2.gz	ZSZJVITUUHBTRK-IYBDPMFKSA-N	1	1	364.490	2.222	20	30		FEEDMO
N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COCc2ccco2)CC1	ZINC000153808206	544826246	/nfs/dbraw/zinc/82/62/46/544826246.db2.gz	NFUNIGGXVDTPJB-QUCCMNQESA-N	1	1	355.438	2.040	20	30		FEEDMO
CN1c2ccccc2N(C)C1=C1C(=N)N(C[C@H]2CC[N@H+](C3CC3)C2)CC1=O	ZINC000153980023	544849142	/nfs/dbraw/zinc/84/91/42/544849142.db2.gz	SLGBRUKDWIZDSR-AWEZNQCLSA-N	1	1	365.481	2.130	20	30		FEEDMO
N#Cc1ccnc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1Cl	ZINC000553082287	674237703	/nfs/dbraw/zinc/23/77/03/674237703.db2.gz	YHXSJBYLGPTDTP-IRXDYDNUSA-N	1	1	356.857	2.902	20	30		FEEDMO
CC[C@H](CNS(=O)(=O)c1ccc(C#N)o1)[N@@H+]1CCc2ccccc2C1	ZINC000553772710	674285125	/nfs/dbraw/zinc/28/51/25/674285125.db2.gz	JRBQWGJRZAJXLN-MRXNPFEDSA-N	1	1	359.451	2.266	20	30		FEEDMO
CC[C@H](CNS(=O)(=O)c1ccc(C#N)o1)[N@H+]1CCc2ccccc2C1	ZINC000553772710	674285128	/nfs/dbraw/zinc/28/51/28/674285128.db2.gz	JRBQWGJRZAJXLN-MRXNPFEDSA-N	1	1	359.451	2.266	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)c1ccc(F)cc1	ZINC000553884221	674292065	/nfs/dbraw/zinc/29/20/65/674292065.db2.gz	ZABUHQLPGHTCBG-INIZCTEOSA-N	1	1	365.405	2.418	20	30		FEEDMO
CC(C)C[C@@]1(CO)CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000191657343	328276045	/nfs/dbraw/zinc/27/60/45/328276045.db2.gz	DRWYJXUXTCOLEL-GOSISDBHSA-N	1	1	350.484	2.205	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@H+]1CCC[C@H](C)C1	ZINC000192565177	328326131	/nfs/dbraw/zinc/32/61/31/328326131.db2.gz	OYZSPWYFGXYROF-GJZGRUSLSA-N	1	1	373.501	2.290	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CSCCS3)CC2)cc1	ZINC000192945332	328348353	/nfs/dbraw/zinc/34/83/53/328348353.db2.gz	GKJAJMCMENBYHR-QGZVFWFLSA-N	1	1	361.536	2.441	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CSCCS3)CC2)cc1	ZINC000192945332	328348355	/nfs/dbraw/zinc/34/83/55/328348355.db2.gz	GKJAJMCMENBYHR-QGZVFWFLSA-N	1	1	361.536	2.441	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000192984677	328350805	/nfs/dbraw/zinc/35/08/05/328350805.db2.gz	SSEDQLKIFDOQER-MRXNPFEDSA-N	1	1	373.453	2.498	20	30		FEEDMO
Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1	ZINC000060523090	324850203	/nfs/dbraw/zinc/85/02/03/324850203.db2.gz	ZNSYRSLSROIEMF-LJQANCHMSA-N	1	1	366.465	2.132	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1	ZINC000078728699	325060249	/nfs/dbraw/zinc/06/02/49/325060249.db2.gz	GSAMUYHMXSOIMF-LJQANCHMSA-N	1	1	362.433	2.278	20	30		FEEDMO
CC(C)(C)[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(N)=O	ZINC000081624949	325189785	/nfs/dbraw/zinc/18/97/85/325189785.db2.gz	GSEAJGZLMIBWOZ-OAHLLOKOSA-N	1	1	362.499	2.317	20	30		FEEDMO
N#Cc1cc(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1F	ZINC000089868334	325338034	/nfs/dbraw/zinc/33/80/34/325338034.db2.gz	HJUZLEMKIZXNCF-MSOLQXFVSA-N	1	1	368.412	2.454	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N[C@H](C)CC[NH+]2CCOCC2)c1C#N	ZINC000114373992	325885916	/nfs/dbraw/zinc/88/59/16/325885916.db2.gz	TWZZUXRNWRKXEA-CYBMUJFWSA-N	1	1	374.510	2.393	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)[C@H](C)C1	ZINC000119766792	326195927	/nfs/dbraw/zinc/19/59/27/326195927.db2.gz	HYXXLLXIRSJCMC-WBMJQRKESA-N	1	1	362.861	2.339	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000119809669	326200970	/nfs/dbraw/zinc/20/09/70/326200970.db2.gz	CKXUCVHNHMWWOU-GDBMZVCRSA-N	1	1	372.494	2.424	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1	ZINC000120503214	326264203	/nfs/dbraw/zinc/26/42/03/326264203.db2.gz	KZCGMASPKXWZKH-LSDHHAIUSA-N	1	1	360.458	2.264	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1	ZINC000120503214	326264205	/nfs/dbraw/zinc/26/42/05/326264205.db2.gz	KZCGMASPKXWZKH-LSDHHAIUSA-N	1	1	360.458	2.264	20	30		FEEDMO
CCC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000121670150	326357029	/nfs/dbraw/zinc/35/70/29/326357029.db2.gz	FSHDDDZMXDINPI-QFBILLFUSA-N	1	1	358.486	2.318	20	30		FEEDMO
N#Cc1ccccc1N1CCC[N@H+](CCn2cnc3ccccc3c2=O)CC1	ZINC000172244321	327189349	/nfs/dbraw/zinc/18/93/49/327189349.db2.gz	GYUWUGLNSJEOEA-UHFFFAOYSA-N	1	1	373.460	2.480	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1	ZINC000172307731	327194511	/nfs/dbraw/zinc/19/45/11/327194511.db2.gz	FXSUFKPTJSAZLJ-MRXNPFEDSA-N	1	1	372.469	2.132	20	30		FEEDMO
CCc1nsc(N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000174804062	327352386	/nfs/dbraw/zinc/35/23/86/327352386.db2.gz	XPJZXFDMDCNMEF-UHFFFAOYSA-N	1	1	370.482	2.123	20	30		FEEDMO
C[C@H](N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1)C(F)(F)F	ZINC000178709866	327601880	/nfs/dbraw/zinc/60/18/80/327601880.db2.gz	IHVLWBHOFHVABN-ZDUSSCGKSA-N	1	1	354.376	2.455	20	30		FEEDMO
CCOCC[NH+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1	ZINC000264815906	329064079	/nfs/dbraw/zinc/06/40/79/329064079.db2.gz	WNGNUTZQTBELSN-UHFFFAOYSA-N	1	1	359.470	2.288	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)[C@H](C)C1	ZINC000276211318	330129862	/nfs/dbraw/zinc/12/98/62/330129862.db2.gz	ZYEMVDHRAPEZFF-MLGOLLRUSA-N	1	1	362.861	2.339	20	30		FEEDMO
C[C@]1(CNS(=O)(=O)c2ccc(C#N)o2)CC[N@@H+](Cc2ccccc2)C1	ZINC000805086609	674318059	/nfs/dbraw/zinc/31/80/59/674318059.db2.gz	DGDULCIDABTVJC-GOSISDBHSA-N	1	1	359.451	2.342	20	30		FEEDMO
CN(CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000247556682	549356043	/nfs/dbraw/zinc/35/60/43/549356043.db2.gz	QJZFLFPQOUIYHE-NQIIRXRSSA-N	1	1	354.498	2.249	20	30		FEEDMO
N#Cc1ccc([C@H](O)CN(CC[NH+]2CCOCC2)c2ccccc2)cc1	ZINC000156642385	545642129	/nfs/dbraw/zinc/64/21/29/545642129.db2.gz	WSXAYRRFYZOTQB-OAQYLSRUSA-N	1	1	351.450	2.430	20	30		FEEDMO
C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000477452073	561145379	/nfs/dbraw/zinc/14/53/79/561145379.db2.gz	KTHMGZOIXVUFQR-OAHLLOKOSA-N	1	1	362.499	2.220	20	30		FEEDMO
C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1OC	ZINC000157150070	545705877	/nfs/dbraw/zinc/70/58/77/545705877.db2.gz	WDUVEGGEPPNNJR-LBPRGKRZSA-N	1	1	369.259	2.330	20	30		FEEDMO
C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C(N)=O)C2)cc1OC	ZINC000157150070	545705882	/nfs/dbraw/zinc/70/58/82/545705882.db2.gz	WDUVEGGEPPNNJR-LBPRGKRZSA-N	1	1	369.259	2.330	20	30		FEEDMO
CC[C@@H](CC#N)NC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000157626605	545763135	/nfs/dbraw/zinc/76/31/35/545763135.db2.gz	PFXPZQMNSSTDLX-KRWDZBQOSA-N	1	1	371.485	2.207	20	30		FEEDMO
N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1	ZINC000158967938	545910725	/nfs/dbraw/zinc/91/07/25/545910725.db2.gz	YQNFNWVKFOHHSQ-FQEVSTJZSA-N	1	1	363.465	2.171	20	30		FEEDMO
C=CCC[C@H](NC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)c1ccccc1	ZINC000160560766	546052586	/nfs/dbraw/zinc/05/25/86/546052586.db2.gz	ZRBQGNRMZPWASN-IBGZPJMESA-N	1	1	372.513	2.499	20	30		FEEDMO
C=CCC[C@H](NC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)c1ccccc1	ZINC000160560766	546052591	/nfs/dbraw/zinc/05/25/91/546052591.db2.gz	ZRBQGNRMZPWASN-IBGZPJMESA-N	1	1	372.513	2.499	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2ccc(OCC#N)cc2)C[C@H](C)O1	ZINC000170804391	546177687	/nfs/dbraw/zinc/17/76/87/546177687.db2.gz	NDVBUNSTACYRKZ-IYBDPMFKSA-N	1	1	374.485	2.276	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2ccc(OCC#N)cc2)C[C@H](C)O1	ZINC000170804391	546177691	/nfs/dbraw/zinc/17/76/91/546177691.db2.gz	NDVBUNSTACYRKZ-IYBDPMFKSA-N	1	1	374.485	2.276	20	30		FEEDMO
COc1ccc(N2CCN(CCCNC(=[NH2+])Nc3ccccn3)CC2)cc1	ZINC000170908668	546181757	/nfs/dbraw/zinc/18/17/57/546181757.db2.gz	WFORTFULIRRNMD-UHFFFAOYSA-N	1	1	368.485	2.029	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)OC)cc2Cl)CC1	ZINC000171536497	546212540	/nfs/dbraw/zinc/21/25/40/546212540.db2.gz	RCRCPRSSLJLFMG-UHFFFAOYSA-N	1	1	372.874	2.055	20	30		FEEDMO
N#CCCn1cc(CNCCC[NH+]2CCC(O)CC2)c(-c2ccccc2)n1	ZINC000172043860	546235229	/nfs/dbraw/zinc/23/52/29/546235229.db2.gz	XBHRTKXQQKNEHN-UHFFFAOYSA-N	1	1	367.497	2.400	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1	ZINC000177064434	546536045	/nfs/dbraw/zinc/53/60/45/546536045.db2.gz	BBIYEVSACCACPG-HOCLYGCPSA-N	1	1	357.454	2.467	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000480712305	561215082	/nfs/dbraw/zinc/21/50/82/561215082.db2.gz	SIWHKMQFRDELSG-INIZCTEOSA-N	1	1	367.490	2.485	20	30		FEEDMO
C[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C2	ZINC000177667668	546663183	/nfs/dbraw/zinc/66/31/83/546663183.db2.gz	FHOVXUBFNLFFJM-QWHCGFSZSA-N	1	1	373.400	2.434	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1	ZINC000178901389	546871301	/nfs/dbraw/zinc/87/13/01/546871301.db2.gz	FVRUISJGNACWHD-INIZCTEOSA-N	1	1	356.470	2.289	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccccc2O[C@H](C)C#N)CC1	ZINC000180017166	547039535	/nfs/dbraw/zinc/03/95/35/547039535.db2.gz	NTGPRPDGHJDUNY-IAGOWNOFSA-N	1	1	373.501	2.373	20	30		FEEDMO
N#Cc1ccc(CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)c(F)c1	ZINC000180746244	547171958	/nfs/dbraw/zinc/17/19/58/547171958.db2.gz	XLTCKJJOHUHMHJ-HDICACEKSA-N	1	1	363.392	2.314	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c1C	ZINC000483294083	561273178	/nfs/dbraw/zinc/27/31/78/561273178.db2.gz	HPZFSINDODAYSV-PKOBYXMFSA-N	1	1	359.470	2.022	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c1C	ZINC000483294083	561273179	/nfs/dbraw/zinc/27/31/79/561273179.db2.gz	HPZFSINDODAYSV-PKOBYXMFSA-N	1	1	359.470	2.022	20	30		FEEDMO
C[C@@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000483304264	561273509	/nfs/dbraw/zinc/27/35/09/561273509.db2.gz	PTBFSSOLXLGTBO-YOEHRIQHSA-N	1	1	365.861	2.058	20	30		FEEDMO
C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000483304264	561273510	/nfs/dbraw/zinc/27/35/10/561273510.db2.gz	PTBFSSOLXLGTBO-YOEHRIQHSA-N	1	1	365.861	2.058	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1	ZINC000181566668	547337333	/nfs/dbraw/zinc/33/73/33/547337333.db2.gz	SQZZXXJOIAOUDW-OAHLLOKOSA-N	1	1	358.490	2.222	20	30		FEEDMO
CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1c(C)noc1C	ZINC000182469301	547499356	/nfs/dbraw/zinc/49/93/56/547499356.db2.gz	REYNFCGDPGFLKJ-DLBZAZTESA-N	1	1	361.490	2.025	20	30		FEEDMO
COc1cccc([C@H]2[C@H](NC(=O)C3(C#N)CCOCC3)CC[N@H+]2C2CC2)c1	ZINC000183266226	547630727	/nfs/dbraw/zinc/63/07/27/547630727.db2.gz	QXJBJRZXPITBAW-MOPGFXCFSA-N	1	1	369.465	2.410	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccnc(C)n2)CC1	ZINC000183794264	547720304	/nfs/dbraw/zinc/72/03/04/547720304.db2.gz	FJKBVNGAOGMMIE-LJQANCHMSA-N	1	1	368.481	2.075	20	30		FEEDMO
C=CC[N@@H+](CCOC)CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C	ZINC000484677110	561303152	/nfs/dbraw/zinc/30/31/52/561303152.db2.gz	GYNPPWIEFWZFNI-HXUWFJFHSA-N	1	1	362.470	2.406	20	30		FEEDMO
C=CC[N@H+](CCOC)CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C	ZINC000484677110	561303153	/nfs/dbraw/zinc/30/31/53/561303153.db2.gz	GYNPPWIEFWZFNI-HXUWFJFHSA-N	1	1	362.470	2.406	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1cccc(Br)c1	ZINC000183915693	547738496	/nfs/dbraw/zinc/73/84/96/547738496.db2.gz	MUTWUKXLEPWVPN-WFASDCNBSA-N	1	1	368.275	2.080	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1nnnn1-c1ccccc1	ZINC000184812868	547882417	/nfs/dbraw/zinc/88/24/17/547882417.db2.gz	DZSONYAOXLGVEH-AWEZNQCLSA-N	1	1	364.409	2.272	20	30		FEEDMO
CC(C)C[C@H](CO)[N@@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000185350239	547974752	/nfs/dbraw/zinc/97/47/52/547974752.db2.gz	DTGSICFSFGNVFC-QGZVFWFLSA-N	1	1	355.442	2.021	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000186113627	548086712	/nfs/dbraw/zinc/08/67/12/548086712.db2.gz	IYWGQGSZKKACLZ-INIZCTEOSA-N	1	1	350.532	2.472	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CCSC4(CCOCC4)C3)C2=O)cc1	ZINC000186810292	548197742	/nfs/dbraw/zinc/19/77/42/548197742.db2.gz	YBBXBBRSKYWCOH-QGZVFWFLSA-N	1	1	357.479	2.262	20	30		FEEDMO
C=C(C)[C@@H]([NH2+][C@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccc(F)c(F)c1	ZINC000187766184	548262474	/nfs/dbraw/zinc/26/24/74/548262474.db2.gz	KPCRHBBYRKMVOR-KZULUSFZSA-N	1	1	365.424	2.297	20	30		FEEDMO
COCc1noc(CN2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)n1	ZINC000189622431	548306728	/nfs/dbraw/zinc/30/67/28/548306728.db2.gz	XEJNVEMGLJLONG-UHFFFAOYSA-N	1	1	369.469	2.335	20	30		FEEDMO
C#CCN(CC#C)C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2	ZINC000190437303	548324094	/nfs/dbraw/zinc/32/40/94/548324094.db2.gz	PQMAHUASQSODSK-MRXNPFEDSA-N	1	1	351.450	2.080	20	30		FEEDMO
CN(C)c1noc([C@H]2CCC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)n1	ZINC000194936475	548552796	/nfs/dbraw/zinc/55/27/96/548552796.db2.gz	XSOALPIKMITVCY-AWEZNQCLSA-N	1	1	351.414	2.035	20	30		FEEDMO
CN(C)c1noc([C@H]2CCC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)n1	ZINC000194936475	548552802	/nfs/dbraw/zinc/55/28/02/548552802.db2.gz	XSOALPIKMITVCY-AWEZNQCLSA-N	1	1	351.414	2.035	20	30		FEEDMO
C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccccc3C#Cc3ccccc3)C[C@H]2C1	ZINC000194929864	548553825	/nfs/dbraw/zinc/55/38/25/548553825.db2.gz	USORWTPBYYFIRN-BGYRXZFFSA-N	1	1	373.456	2.045	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000195669220	548656098	/nfs/dbraw/zinc/65/60/98/548656098.db2.gz	GVTUQTVIKNNEHP-DLBZAZTESA-N	1	1	372.517	2.192	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000195669220	548656104	/nfs/dbraw/zinc/65/61/04/548656104.db2.gz	GVTUQTVIKNNEHP-DLBZAZTESA-N	1	1	372.517	2.192	20	30		FEEDMO
CCN(CC)C(=O)CN1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1	ZINC000245511903	548937185	/nfs/dbraw/zinc/93/71/85/548937185.db2.gz	ZLNLMVTYYWYLBM-GOSISDBHSA-N	1	1	372.513	2.354	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1	ZINC000245511903	548937188	/nfs/dbraw/zinc/93/71/88/548937188.db2.gz	ZLNLMVTYYWYLBM-GOSISDBHSA-N	1	1	372.513	2.354	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1	ZINC000245511903	548937191	/nfs/dbraw/zinc/93/71/91/548937191.db2.gz	ZLNLMVTYYWYLBM-GOSISDBHSA-N	1	1	372.513	2.354	20	30		FEEDMO
COCCOC[C@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245519543	548938130	/nfs/dbraw/zinc/93/81/30/548938130.db2.gz	IQRAJTQMQLLJCZ-HKUYNNGSSA-N	1	1	357.454	2.039	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21	ZINC000245523718	548939428	/nfs/dbraw/zinc/93/94/28/548939428.db2.gz	NAWYXHIMUBEXHO-RLLQIKCJSA-N	1	1	352.482	2.470	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](C4OCCO4)C3)C2=O)cc1	ZINC000245532554	548940352	/nfs/dbraw/zinc/94/03/52/548940352.db2.gz	USZUPTUWCNGAQH-AEFFLSMTSA-N	1	1	355.438	2.139	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000245560666	548946594	/nfs/dbraw/zinc/94/65/94/548946594.db2.gz	MWUQDBPQAXSSFI-UXHICEINSA-N	1	1	354.498	2.168	20	30		FEEDMO
CN(C(=O)c1ccc(C#N)cn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000245706358	548980156	/nfs/dbraw/zinc/98/01/56/548980156.db2.gz	MJQFWMQVBKYOOH-VQTJNVASSA-N	1	1	369.513	2.362	20	30		FEEDMO
COCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000245815398	548999172	/nfs/dbraw/zinc/99/91/72/548999172.db2.gz	CXOQKUKSRUUULE-AGYKMIKPSA-N	1	1	365.518	2.433	20	30		FEEDMO
COCCO[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000245815398	548999177	/nfs/dbraw/zinc/99/91/77/548999177.db2.gz	CXOQKUKSRUUULE-AGYKMIKPSA-N	1	1	365.518	2.433	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@H]1C	ZINC000245848164	549002764	/nfs/dbraw/zinc/00/27/64/549002764.db2.gz	LTOBDCYZXBJNGG-GJYPPUQNSA-N	1	1	358.461	2.265	20	30		FEEDMO
CC1(C)CN(CC(F)(F)F)CC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000245921821	549019441	/nfs/dbraw/zinc/01/94/41/549019441.db2.gz	XYAGKXGNIGGUIQ-OAHLLOKOSA-N	1	1	371.403	2.256	20	30		FEEDMO
CC1(C)CN(CC(F)(F)F)CC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000245921821	549019443	/nfs/dbraw/zinc/01/94/43/549019443.db2.gz	XYAGKXGNIGGUIQ-OAHLLOKOSA-N	1	1	371.403	2.256	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000246058235	549043016	/nfs/dbraw/zinc/04/30/16/549043016.db2.gz	BFGJKFOJBHHBGL-URTYCYGZSA-N	1	1	362.518	2.106	20	30		FEEDMO
COc1cc(N[C@@H]2CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)cc(OC)c1	ZINC000246548028	549158209	/nfs/dbraw/zinc/15/82/09/549158209.db2.gz	GRYCJHUBVIABTR-HZPDHXFCSA-N	1	1	374.485	2.341	20	30		FEEDMO
C=CCn1cccc1C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000488894417	561399012	/nfs/dbraw/zinc/39/90/12/561399012.db2.gz	CHUFZEXXFWLTHG-NRFANRHFSA-N	1	1	353.466	2.383	20	30		FEEDMO
Cc1ccc([C@@H](CNS(=O)(=O)c2cnc(C)c(C#N)c2)[NH+]2CCCC2)o1	ZINC000489200593	561405442	/nfs/dbraw/zinc/40/54/42/561405442.db2.gz	LWRURQOBDMCDAC-QGZVFWFLSA-N	1	1	374.466	2.279	20	30		FEEDMO
C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000489473863	561412370	/nfs/dbraw/zinc/41/23/70/561412370.db2.gz	JWGHXSVLLJFGII-IAGOWNOFSA-N	1	1	358.511	2.497	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](N[C@H](C(=O)OC)c2cccc(C#N)c2)[C@@H](C)C1	ZINC000249450337	549593814	/nfs/dbraw/zinc/59/38/14/549593814.db2.gz	OFMKHPYOZUMOPA-VDGAXYAQSA-N	1	1	373.497	2.499	20	30		FEEDMO
Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)ccc1C#N	ZINC000262315716	549810348	/nfs/dbraw/zinc/81/03/48/549810348.db2.gz	PQFTWHHNBYMEFH-GOSISDBHSA-N	1	1	359.426	2.341	20	30		FEEDMO
C[NH+]=C(N[C@H]1C[C@](C)(OC)C1(C)C)NC1CCN(Cc2ccccn2)CC1	ZINC000262371058	549814947	/nfs/dbraw/zinc/81/49/47/549814947.db2.gz	IPHHUVNJXLBMBC-RXVVDRJESA-N	1	1	373.545	2.415	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2n[nH]c3ccc(Br)cc32)CC1	ZINC000264715157	550000105	/nfs/dbraw/zinc/00/01/05/550000105.db2.gz	WSNSMDUZBNPSTK-UHFFFAOYSA-N	1	1	361.243	2.107	20	30		FEEDMO
CC(C)c1noc(CO[NH+]=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C)n1	ZINC000265548343	550011348	/nfs/dbraw/zinc/01/13/48/550011348.db2.gz	YEZNFAYKORXDIN-LLVKDONJSA-N	1	1	355.439	2.485	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000267889215	550035211	/nfs/dbraw/zinc/03/52/11/550035211.db2.gz	REPLWODEVGISIS-NSHDSACASA-N	1	1	355.360	2.221	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000268394569	550058354	/nfs/dbraw/zinc/05/83/54/550058354.db2.gz	YHRVPWAOHAKSAV-MGPUTAFESA-N	1	1	373.453	2.215	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000268394569	550058357	/nfs/dbraw/zinc/05/83/57/550058357.db2.gz	YHRVPWAOHAKSAV-MGPUTAFESA-N	1	1	373.453	2.215	20	30		FEEDMO
CC(=O)N1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C)C1	ZINC000268631004	550096370	/nfs/dbraw/zinc/09/63/70/550096370.db2.gz	BLWZZXXBZDRADI-CYBMUJFWSA-N	1	1	374.510	2.380	20	30		FEEDMO
CC(=O)N1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C)C1	ZINC000268631004	550096372	/nfs/dbraw/zinc/09/63/72/550096372.db2.gz	BLWZZXXBZDRADI-CYBMUJFWSA-N	1	1	374.510	2.380	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000268809155	550118898	/nfs/dbraw/zinc/11/88/98/550118898.db2.gz	STEZIJGSFUBSOT-YGRLFVJLSA-N	1	1	373.400	2.338	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000269066365	550150588	/nfs/dbraw/zinc/15/05/88/550150588.db2.gz	CWMXBVMOOSMXJL-OLZOCXBDSA-N	1	1	362.861	2.387	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)nc1	ZINC000269653546	550214346	/nfs/dbraw/zinc/21/43/46/550214346.db2.gz	ITLSKFBOPCTTJF-GOSISDBHSA-N	1	1	353.470	2.009	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000269671966	550215737	/nfs/dbraw/zinc/21/57/37/550215737.db2.gz	OEZIXRTZDUSQGM-FQEVSTJZSA-N	1	1	366.421	2.318	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCc2cc[nH]c(=O)c2C1	ZINC000494122807	561462926	/nfs/dbraw/zinc/46/29/26/561462926.db2.gz	CRUABWYLLGEPJI-CHWWFWEZSA-N	1	1	356.470	2.465	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCc2cc[nH]c(=O)c2C1	ZINC000494122807	561462927	/nfs/dbraw/zinc/46/29/27/561462927.db2.gz	CRUABWYLLGEPJI-CHWWFWEZSA-N	1	1	356.470	2.465	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)[C@H]2C1	ZINC000272405828	550444688	/nfs/dbraw/zinc/44/46/88/550444688.db2.gz	KPWKEPLLETVURK-FZMZJTMJSA-N	1	1	373.400	2.292	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1	ZINC000274458642	550538992	/nfs/dbraw/zinc/53/89/92/550538992.db2.gz	GZXYCWZFHAELQL-KRWDZBQOSA-N	1	1	365.399	2.452	20	30		FEEDMO
C=CC[N@H+](C)CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000494636259	561473099	/nfs/dbraw/zinc/47/30/99/561473099.db2.gz	IFTRGPWDMBTLPI-UHFFFAOYSA-N	1	1	354.428	2.076	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1	ZINC000275033148	550570428	/nfs/dbraw/zinc/57/04/28/550570428.db2.gz	CWWXVZGLDAVTBN-UHFFFAOYSA-N	1	1	350.850	2.174	20	30		FEEDMO
C=CCN(C(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1	ZINC000276203376	550577662	/nfs/dbraw/zinc/57/76/62/550577662.db2.gz	VQYMMQBQVAWZDS-IYBDPMFKSA-N	1	1	371.481	2.411	20	30		FEEDMO
C=CCN(C(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1	ZINC000276203376	550577663	/nfs/dbraw/zinc/57/76/63/550577663.db2.gz	VQYMMQBQVAWZDS-IYBDPMFKSA-N	1	1	371.481	2.411	20	30		FEEDMO
N#Cc1ncccc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1	ZINC000276978743	550617708	/nfs/dbraw/zinc/61/77/08/550617708.db2.gz	GRLPVJZPUNGSKE-AWEZNQCLSA-N	1	1	362.480	2.130	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2C[C@H](OCCOC)C[C@H](CO)C2)cc1OC	ZINC000278647784	550807781	/nfs/dbraw/zinc/80/77/81/550807781.db2.gz	JNGAYBZKMCIJJE-ZWKOTPCHSA-N	1	1	365.470	2.106	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1	ZINC000279883254	550939137	/nfs/dbraw/zinc/93/91/37/550939137.db2.gz	CVJPKKWXVIHUEZ-PMACEKPBSA-N	1	1	365.481	2.493	20	30		FEEDMO
C[NH+](C)CCN1CCC(CNC(=O)c2ccc(C(C)(C)C#N)cc2)CC1	ZINC000280036947	550954912	/nfs/dbraw/zinc/95/49/12/550954912.db2.gz	GLINJRHVFLJTBB-UHFFFAOYSA-N	1	1	356.514	2.491	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@]2(CCOC2)O1	ZINC000280372944	550986608	/nfs/dbraw/zinc/98/66/08/550986608.db2.gz	VMCQLKJXYQJSHO-MGPUTAFESA-N	1	1	352.438	2.339	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@](C)(C(N)=O)C3)sc2C1	ZINC000280868312	551040944	/nfs/dbraw/zinc/04/09/44/551040944.db2.gz	ZJAUXQIUFGNWLX-BLVKFPJESA-N	1	1	374.510	2.270	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1	ZINC000281855866	551149170	/nfs/dbraw/zinc/14/91/70/551149170.db2.gz	RPCYOWJEWGJWHS-WMZOPIPTSA-N	1	1	355.442	2.356	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCCCn1cc[nH+]c1C	ZINC000284282833	551513966	/nfs/dbraw/zinc/51/39/66/551513966.db2.gz	NLLNCSQMMPJEOT-UHFFFAOYSA-N	1	1	354.454	2.303	20	30		FEEDMO
Cc1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nnn1C(C)C	ZINC000498222511	561519263	/nfs/dbraw/zinc/51/92/63/561519263.db2.gz	UNQMSUFKEXDQNB-UHFFFAOYSA-N	1	1	366.469	2.456	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NCCCCC#N	ZINC000284379514	551536697	/nfs/dbraw/zinc/53/66/97/551536697.db2.gz	GZIYQLXSFWVIPK-QGZVFWFLSA-N	1	1	370.497	2.487	20	30		FEEDMO
Cc1noc([C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)C2CCOCC2)n1	ZINC000498341465	561522704	/nfs/dbraw/zinc/52/27/04/561522704.db2.gz	FDJHYDUXHRDCFI-GOSISDBHSA-N	1	1	369.425	2.336	20	30		FEEDMO
C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NCCCCC#N)cc2)C1	ZINC000284577250	551581393	/nfs/dbraw/zinc/58/13/93/551581393.db2.gz	VFBUHQMEWSOPPX-KRWDZBQOSA-N	1	1	370.497	2.345	20	30		FEEDMO
CCCCCC(=O)NC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000498643027	561530974	/nfs/dbraw/zinc/53/09/74/561530974.db2.gz	AXEWNZGGDLUZQG-IBGZPJMESA-N	1	1	350.507	2.202	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000498850736	561535756	/nfs/dbraw/zinc/53/57/56/561535756.db2.gz	BRMMIVGUIUXHEF-QZTJIDSGSA-N	1	1	355.463	2.243	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC000498850736	561535757	/nfs/dbraw/zinc/53/57/57/561535757.db2.gz	BRMMIVGUIUXHEF-QZTJIDSGSA-N	1	1	355.463	2.243	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCc1nc(-c2ccccc2)no1	ZINC000286049343	551842815	/nfs/dbraw/zinc/84/28/15/551842815.db2.gz	RAPAXUQKSSQWAL-IBGZPJMESA-N	1	1	355.442	2.265	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCc1nc(-c2ccccc2)no1	ZINC000286049343	551842816	/nfs/dbraw/zinc/84/28/16/551842816.db2.gz	RAPAXUQKSSQWAL-IBGZPJMESA-N	1	1	355.442	2.265	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21	ZINC000286065177	551844719	/nfs/dbraw/zinc/84/47/19/551844719.db2.gz	RRLKXAPTYZSBBD-AQNXPRMDSA-N	1	1	366.465	2.147	20	30		FEEDMO
N#Cc1ccc(N2CCC([NH2+]C3CCN([C@H]4CCC[C@@H]4O)CC3)CC2)cc1	ZINC000286096611	551848402	/nfs/dbraw/zinc/84/84/02/551848402.db2.gz	MIQLYVFKMZVUBN-VXKWHMMOSA-N	1	1	368.525	2.494	20	30		FEEDMO
C#CCN(Cc1ccccc1)C(=O)NCCCCN1CC[NH+](CC)CC1	ZINC000287026792	551953494	/nfs/dbraw/zinc/95/34/94/551953494.db2.gz	GSRQQMLRVAOATC-UHFFFAOYSA-N	1	1	356.514	2.249	20	30		FEEDMO
COc1cc(OC)c2ncc(C#N)c(N[C@H](C)C[NH+]3CCN(C)CC3)c2c1	ZINC000287329204	551990435	/nfs/dbraw/zinc/99/04/35/551990435.db2.gz	MNDHHUMEYNQABV-CQSZACIVSA-N	1	1	369.469	2.171	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000288079878	552087024	/nfs/dbraw/zinc/08/70/24/552087024.db2.gz	HGNRYXIYPQZFTQ-IEBWSBKVSA-N	1	1	357.498	2.438	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1	ZINC000288299997	552128389	/nfs/dbraw/zinc/12/83/89/552128389.db2.gz	RLGRJVHBYYYGMN-UHFFFAOYSA-N	1	1	355.438	2.172	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1	ZINC000288299997	552128391	/nfs/dbraw/zinc/12/83/91/552128391.db2.gz	RLGRJVHBYYYGMN-UHFFFAOYSA-N	1	1	355.438	2.172	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1C#N	ZINC000288355509	552139523	/nfs/dbraw/zinc/13/95/23/552139523.db2.gz	IFZRTBZVLPXPPK-UHFFFAOYSA-N	1	1	368.437	2.379	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc3ccccc32)C1=O	ZINC000499940386	561562501	/nfs/dbraw/zinc/56/25/01/561562501.db2.gz	RPFASAAXHKXRIH-MJGOQNOKSA-N	1	1	354.450	2.298	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1	ZINC000288788705	552212884	/nfs/dbraw/zinc/21/28/84/552212884.db2.gz	KZSABNRVRRSVDB-OXJNMPFZSA-N	1	1	361.461	2.061	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1	ZINC000288924334	552237185	/nfs/dbraw/zinc/23/71/85/552237185.db2.gz	MAUQBSOOOLNKEG-QAPCUYQASA-N	1	1	368.481	2.037	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c(-c2ccncc2)n1	ZINC000289074766	552262213	/nfs/dbraw/zinc/26/22/13/552262213.db2.gz	ANKAQYPZIRXKEZ-FQEVSTJZSA-N	1	1	367.453	2.240	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c(-c2ccncc2)n1	ZINC000289074766	552262214	/nfs/dbraw/zinc/26/22/14/552262214.db2.gz	ANKAQYPZIRXKEZ-FQEVSTJZSA-N	1	1	367.453	2.240	20	30		FEEDMO
CC[C@@](C)(C#N)c1nc(-c2ccccc2C[N@@H+]2CCC[C@H]2C(N)=O)no1	ZINC000289097340	552265459	/nfs/dbraw/zinc/26/54/59/552265459.db2.gz	PKEXWMSJLSNKIA-KXBFYZLASA-N	1	1	353.426	2.378	20	30		FEEDMO
CC[C@@](C)(C#N)c1nc(-c2ccccc2C[N@H+]2CCC[C@H]2C(N)=O)no1	ZINC000289097340	552265462	/nfs/dbraw/zinc/26/54/62/552265462.db2.gz	PKEXWMSJLSNKIA-KXBFYZLASA-N	1	1	353.426	2.378	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1	ZINC000500213094	561567955	/nfs/dbraw/zinc/56/79/55/561567955.db2.gz	RVPACFCMIJYTDD-OAQYLSRUSA-N	1	1	370.497	2.277	20	30		FEEDMO
COc1ccc(C[N@H+](C)CCCN2CCN(C)CC2)cc1OCCCC#N	ZINC000289467646	552326135	/nfs/dbraw/zinc/32/61/35/552326135.db2.gz	PCJJLSKTQYADGL-UHFFFAOYSA-N	1	1	374.529	2.447	20	30		FEEDMO
COc1ccc(C[N@@H+](C)CCCN2CCN(C)CC2)cc1OCCCC#N	ZINC000289467646	552326137	/nfs/dbraw/zinc/32/61/37/552326137.db2.gz	PCJJLSKTQYADGL-UHFFFAOYSA-N	1	1	374.529	2.447	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000289532823	552336322	/nfs/dbraw/zinc/33/63/22/552336322.db2.gz	DXGKHCLHNVHLMY-BBRMVZONSA-N	1	1	367.852	2.233	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000289875552	552392736	/nfs/dbraw/zinc/39/27/36/552392736.db2.gz	RCSYXUZROYTNPD-HZPDHXFCSA-N	1	1	362.499	2.228	20	30		FEEDMO
C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(F)c1F	ZINC000289902634	552396666	/nfs/dbraw/zinc/39/66/66/552396666.db2.gz	NAFMNFWYADCBRM-LLVKDONJSA-N	1	1	351.378	2.356	20	30		FEEDMO
C#CCC(CC#C)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000290604559	552505791	/nfs/dbraw/zinc/50/57/91/552505791.db2.gz	RLAOJOLNDBXVGE-QFIPXVFZSA-N	1	1	363.505	2.068	20	30		FEEDMO
C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000291064822	552582843	/nfs/dbraw/zinc/58/28/43/552582843.db2.gz	RTGRAGFMJQFYAV-HUUCEWRRSA-N	1	1	357.376	2.126	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CC[C@](CO)(c2ccccc2)C1)C1(C#N)CCCCC1	ZINC000291380745	552620826	/nfs/dbraw/zinc/62/08/26/552620826.db2.gz	ASZYZBOCBXWEQS-FQEVSTJZSA-N	1	1	355.482	2.307	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@](CO)(c2ccccc2)C1)C1(C#N)CCCCC1	ZINC000291380745	552620827	/nfs/dbraw/zinc/62/08/27/552620827.db2.gz	ASZYZBOCBXWEQS-FQEVSTJZSA-N	1	1	355.482	2.307	20	30		FEEDMO
C=CCNC(=O)c1ccccc1NC(=O)c1cc(C[NH+]2CCCC2)on1	ZINC000291571738	552638964	/nfs/dbraw/zinc/63/89/64/552638964.db2.gz	ZICORSYDZFSCKV-UHFFFAOYSA-N	1	1	354.410	2.439	20	30		FEEDMO
COc1ccc([C@@H](O)C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1	ZINC000291666677	552648904	/nfs/dbraw/zinc/64/89/04/552648904.db2.gz	GDHOQAWFHOBSHH-RTWAWAEBSA-N	1	1	371.481	2.249	20	30		FEEDMO
COc1ccc([C@@H](O)C2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1	ZINC000291773011	552660263	/nfs/dbraw/zinc/66/02/63/552660263.db2.gz	LUFIHSLTXFVKLB-RTWAWAEBSA-N	1	1	373.497	2.495	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292086592	552692368	/nfs/dbraw/zinc/69/23/68/552692368.db2.gz	FDAMUVCLOFMBAD-GOSISDBHSA-N	1	1	361.405	2.307	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)COc3ccccc3Cl)C2)nc1	ZINC000292125459	552696387	/nfs/dbraw/zinc/69/63/87/552696387.db2.gz	IHMCITCIWRHFGF-JKSUJKDBSA-N	1	1	373.840	2.500	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292387015	552722019	/nfs/dbraw/zinc/72/20/19/552722019.db2.gz	ZMGVTFIOVCKLOA-WMLDXEAASA-N	1	1	368.412	2.250	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292387015	552722020	/nfs/dbraw/zinc/72/20/20/552722020.db2.gz	ZMGVTFIOVCKLOA-WMLDXEAASA-N	1	1	368.412	2.250	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(Cc3cn(CCC#N)nc3-c3ccncc3)C2)C1	ZINC000292701378	552750795	/nfs/dbraw/zinc/75/07/95/552750795.db2.gz	CKJZGIGHSBJULD-FQEVSTJZSA-N	1	1	350.470	2.386	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)nc1	ZINC000293241245	552802694	/nfs/dbraw/zinc/80/26/94/552802694.db2.gz	YPVNZRJLVQCEDP-UHFFFAOYSA-N	1	1	369.469	2.006	20	30		FEEDMO
CC[N@H+]1CC[C@H]2OCCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)[C@H]2C1	ZINC000293316293	552810691	/nfs/dbraw/zinc/81/06/91/552810691.db2.gz	QQCKTDDNCMPTMX-VQTJNVASSA-N	1	1	365.481	2.254	20	30		FEEDMO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC[N@H+](C2CCC2)C1	ZINC000293436312	552823434	/nfs/dbraw/zinc/82/34/34/552823434.db2.gz	OFBTWUOGZXRASS-CYBMUJFWSA-N	1	1	374.872	2.483	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O	ZINC000293960968	552871235	/nfs/dbraw/zinc/87/12/35/552871235.db2.gz	LARYQMYIELPVII-HNNXBMFYSA-N	1	1	365.886	2.214	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)CN2CC[N@@H+](C)CC2(C)C)cc1	ZINC000501795634	561605465	/nfs/dbraw/zinc/60/54/65/561605465.db2.gz	ORVZWZURKAHVAC-UHFFFAOYSA-N	1	1	358.486	2.358	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2	ZINC000295133295	552961983	/nfs/dbraw/zinc/96/19/83/552961983.db2.gz	LHKGWPKEMRIQMG-PKOBYXMFSA-N	1	1	372.513	2.205	20	30		FEEDMO
COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccc(C#N)cc2Br)C1	ZINC000295166134	552965254	/nfs/dbraw/zinc/96/52/54/552965254.db2.gz	NTBQHFHZWGBWQR-INIZCTEOSA-N	1	1	367.243	2.332	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@]1(C#N)CC12CCCC2	ZINC000295785889	553058952	/nfs/dbraw/zinc/05/89/52/553058952.db2.gz	JONZPHKEHZCCKR-UWJYYQICSA-N	1	1	367.497	2.182	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1	ZINC000502332305	561616371	/nfs/dbraw/zinc/61/63/71/561616371.db2.gz	LQIMVYNFDWXGSY-QZTJIDSGSA-N	1	1	364.511	2.170	20	30		FEEDMO
N#Cc1cnc(N2CC[NH+](CCOc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000296300269	553137248	/nfs/dbraw/zinc/13/72/48/553137248.db2.gz	IISOBRNJRIKBTJ-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000296302674	553137567	/nfs/dbraw/zinc/13/75/67/553137567.db2.gz	VXSOYAVOJMJTFZ-HNNXBMFYSA-N	1	1	356.470	2.369	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1	ZINC000297014021	553242198	/nfs/dbraw/zinc/24/21/98/553242198.db2.gz	UWGQNAVWZKTAFZ-UHFFFAOYSA-N	1	1	371.481	2.255	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC1(Cc2cccc(F)c2)CCOCC1	ZINC000297646117	553319775	/nfs/dbraw/zinc/31/97/75/553319775.db2.gz	ZKBMIRFJRVLLHM-UHFFFAOYSA-N	1	1	361.461	2.172	20	30		FEEDMO
CC(C)(C)OC(=O)NCC1(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC1	ZINC000297906512	553355660	/nfs/dbraw/zinc/35/56/60/553355660.db2.gz	RXEKVHITUSKSRN-UHFFFAOYSA-N	1	1	371.485	2.380	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1	ZINC000299077967	553512455	/nfs/dbraw/zinc/51/24/55/553512455.db2.gz	KDMSVRLODUKPAP-LJQANCHMSA-N	1	1	357.498	2.044	20	30		FEEDMO
COc1cc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)cc(OC)c1	ZINC000299129822	553519351	/nfs/dbraw/zinc/51/93/51/553519351.db2.gz	KYGZFPYSTZPUCO-QGZVFWFLSA-N	1	1	356.422	2.447	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1	ZINC000299238630	553535376	/nfs/dbraw/zinc/53/53/76/553535376.db2.gz	UAJLGJLNKOUDTK-SFHVURJKSA-N	1	1	366.421	2.261	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1C#N	ZINC000301280374	553638422	/nfs/dbraw/zinc/63/84/22/553638422.db2.gz	KHNRYXQWYHBKRD-HNNXBMFYSA-N	1	1	366.425	2.484	20	30		FEEDMO
C[N@H+]1CCCN(CCCNc2cc(C#N)c(Br)cn2)CC1	ZINC000603285170	553754219	/nfs/dbraw/zinc/75/42/19/553754219.db2.gz	SPLBELCIIXHVNW-UHFFFAOYSA-N	1	1	352.280	2.155	20	30		FEEDMO
CN1CCC[N@H+](CCCNc2cc(C#N)c(Br)cn2)CC1	ZINC000603285170	553754221	/nfs/dbraw/zinc/75/42/21/553754221.db2.gz	SPLBELCIIXHVNW-UHFFFAOYSA-N	1	1	352.280	2.155	20	30		FEEDMO
CN1CCC[N@@H+](CCCNc2cc(C#N)c(Br)cn2)CC1	ZINC000603285170	553754223	/nfs/dbraw/zinc/75/42/23/553754223.db2.gz	SPLBELCIIXHVNW-UHFFFAOYSA-N	1	1	352.280	2.155	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[N@H+](Cc2ccccc2)C1	ZINC000324105426	553771082	/nfs/dbraw/zinc/77/10/82/553771082.db2.gz	FAKXVYUNZIYECY-INIZCTEOSA-N	1	1	370.478	2.096	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC[N@@H+](Cc2ccccc2)C1	ZINC000324105426	553771084	/nfs/dbraw/zinc/77/10/84/553771084.db2.gz	FAKXVYUNZIYECY-INIZCTEOSA-N	1	1	370.478	2.096	20	30		FEEDMO
CC(C)N1C[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1=O	ZINC000328608624	553795938	/nfs/dbraw/zinc/79/59/38/553795938.db2.gz	LZFGOSIBQRCBKS-NVXWUHKLSA-N	1	1	350.507	2.296	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)C1	ZINC000328721843	553812277	/nfs/dbraw/zinc/81/22/77/553812277.db2.gz	RNMVVQOQIHISRL-SJLPKXTDSA-N	1	1	364.534	2.403	20	30		FEEDMO
CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(Cc3ccncc3)CC2)C1	ZINC000328729332	553813694	/nfs/dbraw/zinc/81/36/94/553813694.db2.gz	WBNMXKDOHLCRFM-SFHVURJKSA-N	1	1	359.518	2.282	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(Cc3ccncc3)CC2)C1	ZINC000328729332	553813696	/nfs/dbraw/zinc/81/36/96/553813696.db2.gz	WBNMXKDOHLCRFM-SFHVURJKSA-N	1	1	359.518	2.282	20	30		FEEDMO
C[C@H](NC(=O)C[N@H+]1CC[C@H](C2CCOCC2)C1)C(=O)N1CCCCC1	ZINC000328750437	553816421	/nfs/dbraw/zinc/81/64/21/553816421.db2.gz	BZEFVHZDNRUGBA-RDJZCZTQSA-N	1	1	351.491	2.092	20	30		FEEDMO
CC[C@@H]1CN(C(=O)[C@@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CCO1	ZINC000328796982	553823603	/nfs/dbraw/zinc/82/36/03/553823603.db2.gz	VJPSYUVNXNMQPL-IAGOWNOFSA-N	1	1	362.474	2.495	20	30		FEEDMO
Cc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1S(C)(=O)=O	ZINC000328814566	553826186	/nfs/dbraw/zinc/82/61/86/553826186.db2.gz	GGUUDBIIMFLMSS-GJZGRUSLSA-N	1	1	351.472	2.160	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000328815797	553826657	/nfs/dbraw/zinc/82/66/57/553826657.db2.gz	CQEFLUHJDDXSFC-HIFRSBDPSA-N	1	1	350.463	2.275	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000328815797	553826659	/nfs/dbraw/zinc/82/66/59/553826659.db2.gz	CQEFLUHJDDXSFC-HIFRSBDPSA-N	1	1	350.463	2.275	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@@H]2C2CC2)C[C@H](C)O1	ZINC000328823480	553828302	/nfs/dbraw/zinc/82/83/02/553828302.db2.gz	GRYFTMIBFGWGRH-KVDVXYDOSA-N	1	1	351.491	2.042	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@@H]2C2CC2)C[C@H](C)O1	ZINC000328823480	553828305	/nfs/dbraw/zinc/82/83/05/553828305.db2.gz	GRYFTMIBFGWGRH-KVDVXYDOSA-N	1	1	351.491	2.042	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1COc2cc(OC)ccc2C1	ZINC000328973210	553856122	/nfs/dbraw/zinc/85/61/22/553856122.db2.gz	ANKFDYZXMUXCIV-BRWVUGGUSA-N	1	1	359.470	2.471	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)CC[N@H+]1C	ZINC000328992364	553860300	/nfs/dbraw/zinc/86/03/00/553860300.db2.gz	DMFXRKWTHDJCGE-RRIFGTCXSA-N	1	1	359.470	2.242	20	30		FEEDMO
Cc1noc([C@H]2CC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000329014293	553864335	/nfs/dbraw/zinc/86/43/35/553864335.db2.gz	FSYQEHWQRNHOFM-DOTOQJQBSA-N	1	1	351.410	2.235	20	30		FEEDMO
Cc1noc([C@H]2CC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000329014293	553864339	/nfs/dbraw/zinc/86/43/39/553864339.db2.gz	FSYQEHWQRNHOFM-DOTOQJQBSA-N	1	1	351.410	2.235	20	30		FEEDMO
C[C@@H]1C[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1	ZINC000329105297	553881564	/nfs/dbraw/zinc/88/15/64/553881564.db2.gz	GZQAETCQDOEZBV-DISONHOPSA-N	1	1	353.507	2.289	20	30		FEEDMO
C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000329108374	553881880	/nfs/dbraw/zinc/88/18/80/553881880.db2.gz	FPFWIXBZOGMCFO-CZUORRHYSA-N	1	1	351.447	2.086	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000329108374	553881885	/nfs/dbraw/zinc/88/18/85/553881885.db2.gz	FPFWIXBZOGMCFO-CZUORRHYSA-N	1	1	351.447	2.086	20	30		FEEDMO
Cc1nc(CCNC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1	ZINC000329110838	553882122	/nfs/dbraw/zinc/88/21/22/553882122.db2.gz	JSMFINTYKZTYHY-JKIFEVAISA-N	1	1	366.531	2.482	20	30		FEEDMO
Cc1nc(CCNC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cs1	ZINC000329110838	553882124	/nfs/dbraw/zinc/88/21/24/553882124.db2.gz	JSMFINTYKZTYHY-JKIFEVAISA-N	1	1	366.531	2.482	20	30		FEEDMO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)CC[C@@H]21	ZINC000329138238	553887390	/nfs/dbraw/zinc/88/73/90/553887390.db2.gz	RVOVGUSEYBAWSB-ZACQAIPSSA-N	1	1	365.522	2.102	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1	ZINC000329150922	553889777	/nfs/dbraw/zinc/88/97/77/553889777.db2.gz	ZUNYJLVVBZADOC-JYJNAYRXSA-N	1	1	363.506	2.264	20	30		FEEDMO
C[C@H]1CCSCC[N@@H+]1CC(=O)Nc1cc(-n2cnnn2)ccc1F	ZINC000329163936	553893009	/nfs/dbraw/zinc/89/30/09/553893009.db2.gz	GPCKMPYZKFDOTR-NSHDSACASA-N	1	1	350.423	2.217	20	30		FEEDMO
C[C@H]1CCSCC[N@H+]1CC(=O)Nc1cc(-n2cnnn2)ccc1F	ZINC000329163936	553893013	/nfs/dbraw/zinc/89/30/13/553893013.db2.gz	GPCKMPYZKFDOTR-NSHDSACASA-N	1	1	350.423	2.217	20	30		FEEDMO
C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C	ZINC000329197661	553900666	/nfs/dbraw/zinc/90/06/66/553900666.db2.gz	VKLYMVWQEDIKFW-VQHPVUNQSA-N	1	1	366.506	2.231	20	30		FEEDMO
C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C	ZINC000329197661	553900667	/nfs/dbraw/zinc/90/06/67/553900667.db2.gz	VKLYMVWQEDIKFW-VQHPVUNQSA-N	1	1	366.506	2.231	20	30		FEEDMO
O=C(CN1CC[NH+](C2CC2)CC1)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000329217963	553904792	/nfs/dbraw/zinc/90/47/92/553904792.db2.gz	RDPAYJFUSZMKPM-UHFFFAOYSA-N	1	1	370.497	2.159	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000329230594	553906938	/nfs/dbraw/zinc/90/69/38/553906938.db2.gz	KDEYARHTRYZXSP-XWTMOSNGSA-N	1	1	364.534	2.211	20	30		FEEDMO
CC(C)C(=O)N1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1	ZINC000329248037	553910552	/nfs/dbraw/zinc/91/05/52/553910552.db2.gz	SEPUFMZDBOHPJL-SJPCQFCGSA-N	1	1	350.507	2.104	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3c(F)cccc3Cl)[C@H]2C1	ZINC000329257666	553912356	/nfs/dbraw/zinc/91/23/56/553912356.db2.gz	CBNHPRDQMJOESZ-RISCZKNCSA-N	1	1	353.825	2.336	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)C1	ZINC000329275215	553915692	/nfs/dbraw/zinc/91/56/92/553915692.db2.gz	KSIVZVQYGQMCFD-SJORKVTESA-N	1	1	364.534	2.355	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)C1	ZINC000329278802	553916347	/nfs/dbraw/zinc/91/63/47/553916347.db2.gz	MEQMMOGDPSOLQQ-ZACQAIPSSA-N	1	1	353.507	2.291	20	30		FEEDMO
C[C@H](NC(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)C1=CC[N@@H+](C)CC1	ZINC000329299868	553920493	/nfs/dbraw/zinc/92/04/93/553920493.db2.gz	MGBMGFFZWRUWQC-RVKKMQEKSA-N	1	1	356.470	2.334	20	30		FEEDMO
CCc1nc2n(n1)C[C@@H](NC(=O)N1CCC([NH+]3CCCCC3)CC1)CC2	ZINC000329310240	553922889	/nfs/dbraw/zinc/92/28/89/553922889.db2.gz	QTERMZWMLMLBKY-HNNXBMFYSA-N	1	1	360.506	2.020	20	30		FEEDMO
CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3n[nH]c(C)c3C)cc2)CC1	ZINC000329367388	553933354	/nfs/dbraw/zinc/93/33/54/553933354.db2.gz	KXWRLEDGYFBBGS-UHFFFAOYSA-N	1	1	355.442	2.327	20	30		FEEDMO
C[C@H](O)CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)C1	ZINC000329396343	553938323	/nfs/dbraw/zinc/93/83/23/553938323.db2.gz	VZRJPSVQVKKLAT-LNLFQRSKSA-N	1	1	366.550	2.084	20	30		FEEDMO
C[C@H](O)CN1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)C1	ZINC000329396343	553938325	/nfs/dbraw/zinc/93/83/25/553938325.db2.gz	VZRJPSVQVKKLAT-LNLFQRSKSA-N	1	1	366.550	2.084	20	30		FEEDMO
C[C@H](C(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1)[NH+]1CCSCC1	ZINC000329398426	553939045	/nfs/dbraw/zinc/93/90/45/553939045.db2.gz	VGBUUUHMSYPKGI-CABCVRRESA-N	1	1	354.520	2.060	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[N@H+]1CCc2ccccc2C1	ZINC000329428172	553945389	/nfs/dbraw/zinc/94/53/89/553945389.db2.gz	GYMQOOCFDGDUDX-BMGDILEWSA-N	1	1	356.470	2.398	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](c4nnc[nH]4)C3)C2=O)cc1	ZINC000329468901	553952327	/nfs/dbraw/zinc/95/23/27/553952327.db2.gz	XRJFOKSYGYOBDV-RDJZCZTQSA-N	1	1	350.426	2.051	20	30		FEEDMO
CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1	ZINC000329479511	553954625	/nfs/dbraw/zinc/95/46/25/553954625.db2.gz	CRIZLINEWKOQBH-GDBMZVCRSA-N	1	1	357.520	2.188	20	30		FEEDMO
CC1(C)CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[C@@H]1O	ZINC000329483450	553955302	/nfs/dbraw/zinc/95/53/02/553955302.db2.gz	RWUCKHZDPZJKAN-INIZCTEOSA-N	1	1	353.507	2.028	20	30		FEEDMO
COc1ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1N1CCCC1=O	ZINC000329489575	553956558	/nfs/dbraw/zinc/95/65/58/553956558.db2.gz	UVXXHQMRHITWRH-OAHLLOKOSA-N	1	1	358.442	2.148	20	30		FEEDMO
Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)c(=O)n(C)c1	ZINC000329552199	553966164	/nfs/dbraw/zinc/96/61/64/553966164.db2.gz	JRWDYNOQWBYRHQ-GOSISDBHSA-N	1	1	355.438	2.480	20	30		FEEDMO
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1=O	ZINC000329551628	553966450	/nfs/dbraw/zinc/96/64/50/553966450.db2.gz	JNNSBSQHBOXRON-GNUPYSACSA-N	1	1	371.481	2.150	20	30		FEEDMO
O=C(C[N@@H+]1CCOCC2(CCOCC2)C1)NCCc1ccc(F)cc1	ZINC000329588482	553972566	/nfs/dbraw/zinc/97/25/66/553972566.db2.gz	XRJBNZIXNVXNPO-UHFFFAOYSA-N	1	1	350.434	2.454	20	30		FEEDMO
O=C(C[N@H+]1CCOCC2(CCOCC2)C1)NCCc1ccc(F)cc1	ZINC000329588482	553972567	/nfs/dbraw/zinc/97/25/67/553972567.db2.gz	XRJBNZIXNVXNPO-UHFFFAOYSA-N	1	1	350.434	2.454	20	30		FEEDMO
C[C@H](CNC(=O)[C@H]1CSCN1C(=O)C1CCCC1)C[NH+]1CCOCC1	ZINC000329685405	553988827	/nfs/dbraw/zinc/98/88/27/553988827.db2.gz	URRHDBZEZJOUKT-GDBMZVCRSA-N	1	1	369.531	2.003	20	30		FEEDMO
CN1CN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1=O	ZINC000329756348	554000651	/nfs/dbraw/zinc/00/06/51/554000651.db2.gz	YPAZIFAAQNJPPW-BLLLJJGKSA-N	1	1	368.840	2.117	20	30		FEEDMO
CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1	ZINC000329765249	554001797	/nfs/dbraw/zinc/00/17/97/554001797.db2.gz	WTSXDEJRSBRJTA-IRXDYDNUSA-N	1	1	353.507	2.171	20	30		FEEDMO
C[C@@H]1CN(C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H](C)O1	ZINC000329778133	554004032	/nfs/dbraw/zinc/00/40/32/554004032.db2.gz	PTFTVKOQKZYWHZ-VUCRHFMTSA-N	1	1	366.550	2.393	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)N3CC[C@@H](CCO)C3)CC2)oc1C	ZINC000329792765	554006850	/nfs/dbraw/zinc/00/68/50/554006850.db2.gz	FMAFKKZCOPACJH-KRWDZBQOSA-N	1	1	364.490	2.122	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)c3cnn4ncccc34)CC2)nc(C)[nH+]1	ZINC000329810741	554010388	/nfs/dbraw/zinc/01/03/88/554010388.db2.gz	MOAIBJWYSCDFJI-UHFFFAOYSA-N	1	1	351.414	2.110	20	30		FEEDMO
CCCN1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1=O	ZINC000329913251	554030394	/nfs/dbraw/zinc/03/03/94/554030394.db2.gz	OOSNYQQJSSRKKW-GOSISDBHSA-N	1	1	358.486	2.119	20	30		FEEDMO
CN1CCO[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]21	ZINC000329927405	554033664	/nfs/dbraw/zinc/03/36/64/554033664.db2.gz	LNXAYIMVPAYOAJ-HOTGVXAUSA-N	1	1	374.510	2.491	20	30		FEEDMO
CCCNC(=O)C1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1	ZINC000329940107	554035174	/nfs/dbraw/zinc/03/51/74/554035174.db2.gz	BKGVNKYSBVYIGG-UHFFFAOYSA-N	1	1	372.473	2.441	20	30		FEEDMO
C[C@H](NC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000329955338	554038438	/nfs/dbraw/zinc/03/84/38/554038438.db2.gz	OYFLPRACWURQCS-TVKQPGBESA-N	1	1	365.518	2.433	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1	ZINC000329992965	554045785	/nfs/dbraw/zinc/04/57/85/554045785.db2.gz	YBAOEFLFHAPODG-CALCHBBNSA-N	1	1	372.513	2.464	20	30		FEEDMO
CCN(C(=O)N[C@@H]1CCN(C(C)=O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000330007665	554048369	/nfs/dbraw/zinc/04/83/69/554048369.db2.gz	DTSXMVSZPBIOOH-MOPGFXCFSA-N	1	1	358.486	2.118	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC[N@H+]1C[C@H](C)O	ZINC000330009042	554048639	/nfs/dbraw/zinc/04/86/39/554048639.db2.gz	FXCBOBWOQNHVMN-IWCVFHTOSA-N	1	1	365.518	2.215	20	30		FEEDMO
O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cn([C@H]2CCOC2)nn1	ZINC000330073091	554059436	/nfs/dbraw/zinc/05/94/36/554059436.db2.gz	ZOFFZAZIZZCOCL-SJORKVTESA-N	1	1	355.442	2.209	20	30		FEEDMO
CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C)CC[N@H+]1CCOC	ZINC000507810763	561741530	/nfs/dbraw/zinc/74/15/30/561741530.db2.gz	VLTIHNWCOSEHNY-GOSISDBHSA-N	1	1	368.485	2.291	20	30		FEEDMO
CC[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1	ZINC000330167150	554077322	/nfs/dbraw/zinc/07/73/22/554077322.db2.gz	YRIWABHMQURJPK-SFHLNBCPSA-N	1	1	369.465	2.324	20	30		FEEDMO
CC[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1	ZINC000330167150	554077326	/nfs/dbraw/zinc/07/73/26/554077326.db2.gz	YRIWABHMQURJPK-SFHLNBCPSA-N	1	1	369.465	2.324	20	30		FEEDMO
CC(C)N(C)c1cnn([C@@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)c(=O)c1	ZINC000330176524	554078942	/nfs/dbraw/zinc/07/89/42/554078942.db2.gz	KAAOAYHQWXGTTI-GDBMZVCRSA-N	1	1	361.490	2.232	20	30		FEEDMO
CC(C)N(C)c1cnn([C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3CC3)C2)c(=O)c1	ZINC000330176524	554078944	/nfs/dbraw/zinc/07/89/44/554078944.db2.gz	KAAOAYHQWXGTTI-GDBMZVCRSA-N	1	1	361.490	2.232	20	30		FEEDMO
Cc1nc(N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1C#N	ZINC000330180919	554079500	/nfs/dbraw/zinc/07/95/00/554079500.db2.gz	NQZISXUXZZUYAT-HOTGVXAUSA-N	1	1	358.486	2.356	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCOC[C@@H](C3CCC3)C2)C1	ZINC000330189080	554081399	/nfs/dbraw/zinc/08/13/99/554081399.db2.gz	UWXSSPZMPNBGFG-ZWKOTPCHSA-N	1	1	353.507	2.006	20	30		FEEDMO
CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2cnc(C)c(C#N)c2)C1	ZINC000330195333	554082341	/nfs/dbraw/zinc/08/23/41/554082341.db2.gz	PCILKKIOBYDANH-HNNXBMFYSA-N	1	1	359.455	2.046	20	30		FEEDMO
O=C(Nc1cccc(C(=O)N2CCC(O)CC2)c1)[C@H]1CCC[N@@H+]1C1CC1	ZINC000330209838	554085631	/nfs/dbraw/zinc/08/56/31/554085631.db2.gz	BZNMBVCUJZTHAW-GOSISDBHSA-N	1	1	357.454	2.498	20	30		FEEDMO
O=C(Nc1cccc(C(=O)N2CCC(O)CC2)c1)[C@H]1CCC[N@H+]1C1CC1	ZINC000330209838	554085632	/nfs/dbraw/zinc/08/56/32/554085632.db2.gz	BZNMBVCUJZTHAW-GOSISDBHSA-N	1	1	357.454	2.498	20	30		FEEDMO
C[C@@H]1CN(c2cccc(F)c2)CCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1	ZINC000330221974	554087921	/nfs/dbraw/zinc/08/79/21/554087921.db2.gz	RKBQCHRLFWRURW-ZBFHGGJFSA-N	1	1	357.433	2.462	20	30		FEEDMO
Cc1nc(CCNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cs1	ZINC000330258664	554094436	/nfs/dbraw/zinc/09/44/36/554094436.db2.gz	MRQBGSUQQFNTKW-ZDUSSCGKSA-N	1	1	352.504	2.093	20	30		FEEDMO
CCO[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C12CCC2	ZINC000330269635	554096306	/nfs/dbraw/zinc/09/63/06/554096306.db2.gz	SDMIDUKPBCNWJI-KBAYOESNSA-N	1	1	365.518	2.433	20	30		FEEDMO
CNC(=O)C1CCC(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1	ZINC000330270137	554096747	/nfs/dbraw/zinc/09/67/47/554096747.db2.gz	SXOIQZGSZQQERD-FHERZECASA-N	1	1	366.506	2.231	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21	ZINC000330272568	554097306	/nfs/dbraw/zinc/09/73/06/554097306.db2.gz	XSLLWWGGBYJVJL-OWLYRPNTSA-N	1	1	351.491	2.043	20	30		FEEDMO
O=C(NC1CCN(c2cccnn2)CC1)[C@@H]1CCC[N@H+]1C1CCOCC1	ZINC000330279573	554098331	/nfs/dbraw/zinc/09/83/31/554098331.db2.gz	RGRBLAJRLMCHGE-KRWDZBQOSA-N	1	1	359.474	2.045	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1	ZINC000330317621	554104206	/nfs/dbraw/zinc/10/42/06/554104206.db2.gz	BUPBSDIFUVARBI-HPFXQQBRSA-N	1	1	363.506	2.264	20	30		FEEDMO
Cc1nnc([C@H](C)NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)s1	ZINC000330324236	554105362	/nfs/dbraw/zinc/10/53/62/554105362.db2.gz	UAPOWZBHJQINSA-RYUDHWBXSA-N	1	1	353.492	2.007	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CNC(=O)C1CCCCC1	ZINC000330330835	554106558	/nfs/dbraw/zinc/10/65/58/554106558.db2.gz	XETJSPATIHPEFR-HNNXBMFYSA-N	1	1	351.491	2.235	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1F	ZINC000330545986	554136244	/nfs/dbraw/zinc/13/62/44/554136244.db2.gz	BXRZHEPGFQKFSO-RYUDHWBXSA-N	1	1	357.401	2.296	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1F	ZINC000330545986	554136247	/nfs/dbraw/zinc/13/62/47/554136247.db2.gz	BXRZHEPGFQKFSO-RYUDHWBXSA-N	1	1	357.401	2.296	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)n1	ZINC000330659738	554151960	/nfs/dbraw/zinc/15/19/60/554151960.db2.gz	ROKAAHADCVGOJA-POZUXBRTSA-N	1	1	360.506	2.050	20	30		FEEDMO
CC(C)[C@H](C)NC(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1	ZINC000330987283	554197663	/nfs/dbraw/zinc/19/76/63/554197663.db2.gz	QFXQWOWKMJXHNL-KKUMJFAQSA-N	1	1	366.485	2.350	20	30		FEEDMO
CCc1ccc(CC)c(NC(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)c1	ZINC000331004868	554199959	/nfs/dbraw/zinc/19/99/59/554199959.db2.gz	HAFCAWNZHCFXQH-UHFFFAOYSA-N	1	1	360.502	2.453	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc(OC(F)F)n(C)n2)C1	ZINC000331177328	554226256	/nfs/dbraw/zinc/22/62/56/554226256.db2.gz	KLMLOELSZGGFIW-LLVKDONJSA-N	1	1	359.421	2.858	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C	ZINC000331202957	554230200	/nfs/dbraw/zinc/23/02/00/554230200.db2.gz	XTNPMFIJRDGYGZ-GJZGRUSLSA-N	1	1	360.458	2.278	20	30		FEEDMO
CO[C@H](C)c1nc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cs1	ZINC000331222207	554233007	/nfs/dbraw/zinc/23/30/07/554233007.db2.gz	KLCIFIUOZMQHIY-QWHCGFSZSA-N	1	1	370.519	2.042	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)Nc2cc(C(F)(F)F)ccn2)CC1(C)C	ZINC000331267622	554238725	/nfs/dbraw/zinc/23/87/25/554238725.db2.gz	JQJXJKZGKVMPMG-UHFFFAOYSA-N	1	1	359.396	2.452	20	30		FEEDMO
C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[N@@H+]2CCOC[C@H]2C1	ZINC000508862440	561775737	/nfs/dbraw/zinc/77/57/37/561775737.db2.gz	GTXPDDZQZWLVCW-MRXNPFEDSA-N	1	1	373.888	2.229	20	30		FEEDMO
C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[N@H+]2CCOC[C@H]2C1	ZINC000508862440	561775738	/nfs/dbraw/zinc/77/57/38/561775738.db2.gz	GTXPDDZQZWLVCW-MRXNPFEDSA-N	1	1	373.888	2.229	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@H]3C)C2)n1	ZINC000331582392	554288810	/nfs/dbraw/zinc/28/88/10/554288810.db2.gz	JFMZRHKKIAQTFV-MNEFBYGVSA-N	1	1	369.513	2.323	20	30		FEEDMO
Cc1onc(CC(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N	ZINC000331643867	554301112	/nfs/dbraw/zinc/30/11/12/554301112.db2.gz	PVEGAEDTNDCROD-GASCZTMLSA-N	1	1	374.485	2.135	20	30		FEEDMO
COC[C@@H]1CCN(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000509411541	561798335	/nfs/dbraw/zinc/79/83/35/561798335.db2.gz	URVUPXLKZYPMCX-LJQANCHMSA-N	1	1	356.470	2.154	20	30		FEEDMO
COC[C@@H]1CCN(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000509411541	561798336	/nfs/dbraw/zinc/79/83/36/561798336.db2.gz	URVUPXLKZYPMCX-LJQANCHMSA-N	1	1	356.470	2.154	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)CC[C@@H]21	ZINC000332521463	554461432	/nfs/dbraw/zinc/46/14/32/554461432.db2.gz	ZHIQCFYRVCGSCF-CJNGLKHVSA-N	1	1	360.845	2.093	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000333447669	554614164	/nfs/dbraw/zinc/61/41/64/554614164.db2.gz	XVGYUSYEONTDSJ-CWLKWCNXSA-N	1	1	358.490	2.137	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H](N4CCCC4=O)CC3)C2=O)cc1	ZINC000333684435	554633107	/nfs/dbraw/zinc/63/31/07/554633107.db2.gz	AFOIEYGELUDCQG-IEBWSBKVSA-N	1	1	366.465	2.140	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](N4CCCC4=O)CC3)C2=O)cc1	ZINC000333684438	554633117	/nfs/dbraw/zinc/63/31/17/554633117.db2.gz	AFOIEYGELUDCQG-PKOBYXMFSA-N	1	1	366.465	2.140	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O	ZINC000348512040	554687482	/nfs/dbraw/zinc/68/74/82/554687482.db2.gz	NDDHHQMYUGPATG-NJAFHUGGSA-N	1	1	357.454	2.163	20	30		FEEDMO
CC[C@H]1CN(C(=O)N=c2[nH]n(C)cc2C#N)CC[N@@H+]1Cc1ccccc1	ZINC000612752056	554835614	/nfs/dbraw/zinc/83/56/14/554835614.db2.gz	SLEISCBZEPRSOY-KRWDZBQOSA-N	1	1	352.442	2.420	20	30		FEEDMO
CC[C@H]1CN(C(=O)N=c2[nH]n(C)cc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000612752056	554835615	/nfs/dbraw/zinc/83/56/15/554835615.db2.gz	SLEISCBZEPRSOY-KRWDZBQOSA-N	1	1	352.442	2.420	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1	ZINC000360721912	554886854	/nfs/dbraw/zinc/88/68/54/554886854.db2.gz	RNHWOROMNFEXEW-AZUAARDMSA-N	1	1	371.481	2.477	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1	ZINC000360721912	554886857	/nfs/dbraw/zinc/88/68/57/554886857.db2.gz	RNHWOROMNFEXEW-AZUAARDMSA-N	1	1	371.481	2.477	20	30		FEEDMO
Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)n1	ZINC000361305507	554915662	/nfs/dbraw/zinc/91/56/62/554915662.db2.gz	YOUAUZFSNNRDEI-ZWKOTPCHSA-N	1	1	350.422	2.398	20	30		FEEDMO
Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)n1	ZINC000361305507	554915663	/nfs/dbraw/zinc/91/56/63/554915663.db2.gz	YOUAUZFSNNRDEI-ZWKOTPCHSA-N	1	1	350.422	2.398	20	30		FEEDMO
N#CCCN(C(=O)CN1CCC[N@H+](C2CCOCC2)CC1)c1ccccc1	ZINC000361461189	554921427	/nfs/dbraw/zinc/92/14/27/554921427.db2.gz	HJLSRDPOZIMWSF-UHFFFAOYSA-N	1	1	370.497	2.120	20	30		FEEDMO
Cn1cc([C@@H]2[C@H](CNC(=O)c3ccc(CC#N)cc3)CCC[N@H+]2C)cn1	ZINC000362167618	554953961	/nfs/dbraw/zinc/95/39/61/554953961.db2.gz	WEPKHVNBACXNHX-HKUYNNGSSA-N	1	1	351.454	2.299	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)CCCCC1	ZINC000362625004	554976497	/nfs/dbraw/zinc/97/64/97/554976497.db2.gz	YJUVGOLTOKPVHT-QGZVFWFLSA-N	1	1	372.513	2.054	20	30		FEEDMO
N#Cc1ccc(-c2nnc(CN3CCC[C@@H]3C[N@@H+]3CCC[C@H]3CO)o2)cc1	ZINC000362814563	554990611	/nfs/dbraw/zinc/99/06/11/554990611.db2.gz	OFXHGBDXJJTHNU-MSOLQXFVSA-N	1	1	367.453	2.029	20	30		FEEDMO
C#CC[N@@H+](C[C@@H](O)COC)[C@@H]1CCOc2ccc(Br)cc21	ZINC000362984413	555005649	/nfs/dbraw/zinc/00/56/49/555005649.db2.gz	PUWXIHGRIHPWFS-UKRRQHHQSA-N	1	1	354.244	2.215	20	30		FEEDMO
C#CC[N@H+](C[C@@H](O)COC)[C@@H]1CCOc2ccc(Br)cc21	ZINC000362984413	555005651	/nfs/dbraw/zinc/00/56/51/555005651.db2.gz	PUWXIHGRIHPWFS-UKRRQHHQSA-N	1	1	354.244	2.215	20	30		FEEDMO
C=CCN(C(=O)CCCS(C)(=O)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363004460	555007972	/nfs/dbraw/zinc/00/79/72/555007972.db2.gz	CDFVWOVCDJUBAD-SFHVURJKSA-N	1	1	364.511	2.100	20	30		FEEDMO
C=CCN(C(=O)CCCS(C)(=O)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363004460	555007976	/nfs/dbraw/zinc/00/79/76/555007976.db2.gz	CDFVWOVCDJUBAD-SFHVURJKSA-N	1	1	364.511	2.100	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1	ZINC000363206448	555053436	/nfs/dbraw/zinc/05/34/36/555053436.db2.gz	JTMQFWCOEADBSP-UHFFFAOYSA-N	1	1	356.426	2.218	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C	ZINC000363397913	555095339	/nfs/dbraw/zinc/09/53/39/555095339.db2.gz	YYZBTFZDIAMMBR-CQSZACIVSA-N	1	1	366.469	2.185	20	30		FEEDMO
C[NH+](C)Cc1cnc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1	ZINC000511954819	561886756	/nfs/dbraw/zinc/88/67/56/561886756.db2.gz	MDXMSFNUGSNOCI-QGZVFWFLSA-N	1	1	369.494	2.362	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)C1(C#N)CCCCC1	ZINC000363525071	555128180	/nfs/dbraw/zinc/12/81/80/555128180.db2.gz	KRWZAHLJSLHEEB-KRWDZBQOSA-N	1	1	360.502	2.148	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O)C1(C#N)CCCCC1	ZINC000363525071	555128183	/nfs/dbraw/zinc/12/81/83/555128183.db2.gz	KRWZAHLJSLHEEB-KRWDZBQOSA-N	1	1	360.502	2.148	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C	ZINC000363624661	555149581	/nfs/dbraw/zinc/14/95/81/555149581.db2.gz	JRCAWQNOZDPHPA-HOTGVXAUSA-N	1	1	367.519	2.197	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+]Cc1c(Cl)n(C)nc1-c1ccccc1	ZINC000363670544	555160458	/nfs/dbraw/zinc/16/04/58/555160458.db2.gz	HSZBTCGIIORKMJ-UHFFFAOYSA-N	1	1	353.875	2.431	20	30		FEEDMO
C=CCN(CC(=O)NC1(C#N)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364143368	555257851	/nfs/dbraw/zinc/25/78/51/555257851.db2.gz	FURVHYYAYAWQPI-LJQANCHMSA-N	1	1	352.482	2.311	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1	ZINC000364161889	555261170	/nfs/dbraw/zinc/26/11/70/555261170.db2.gz	QIFFQUVTAZSWRG-IBGZPJMESA-N	1	1	373.497	2.267	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[N@H+]([C@@H](C)CO)CC1	ZINC000364388296	555304104	/nfs/dbraw/zinc/30/41/04/555304104.db2.gz	RWNZPZNZXNZOMD-HNNXBMFYSA-N	1	1	360.458	2.266	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000364597758	555348735	/nfs/dbraw/zinc/34/87/35/555348735.db2.gz	GHZNRSJYCQQUCR-INIZCTEOSA-N	1	1	367.497	2.236	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1	ZINC000364786607	555402477	/nfs/dbraw/zinc/40/24/77/555402477.db2.gz	FOSNWVAJDFADDD-HNNXBMFYSA-N	1	1	361.490	2.295	20	30		FEEDMO
C[C@H]([NH2+]CC(=O)N1CCOCC1)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000364968052	555453148	/nfs/dbraw/zinc/45/31/48/555453148.db2.gz	XCYHQAWEBNOGOT-ZDUSSCGKSA-N	1	1	356.451	2.191	20	30		FEEDMO
CCCCCCCCOCC(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000365537127	555602670	/nfs/dbraw/zinc/60/26/70/555602670.db2.gz	PBNXHKDSJDSLLM-GOSISDBHSA-N	1	1	367.534	2.304	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc(C#N)c3)C[C@@H]2[C@H]1c1ccccc1	ZINC000365689740	555641422	/nfs/dbraw/zinc/64/14/22/555641422.db2.gz	BQUIMHYZVURWOX-YZGWKJHDSA-N	1	1	374.444	2.258	20	30		FEEDMO
CCOc1ccc([C@@H](O)C2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)cc1	ZINC000365830028	555677182	/nfs/dbraw/zinc/67/71/82/555677182.db2.gz	FBVKOLSBVSIDJY-HXUWFJFHSA-N	1	1	371.481	2.393	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@](O)(c2ccccc2)CC1	ZINC000365978092	555716056	/nfs/dbraw/zinc/71/60/56/555716056.db2.gz	KZNVWSGIWMSKCE-FQEVSTJZSA-N	1	1	354.454	2.016	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3[C@@H]4CCCC[C@H]4C[C@H]3C(N)=O)C2=O)cc1	ZINC000366090816	555748614	/nfs/dbraw/zinc/74/86/14/555748614.db2.gz	ZBGMEGCSUNKIBD-NQYYFHDYSA-N	1	1	366.465	2.172	20	30		FEEDMO
Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000366378507	555826840	/nfs/dbraw/zinc/82/68/40/555826840.db2.gz	OLKIFCKVDHJOGE-HKUYNNGSSA-N	1	1	353.422	2.155	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CCO1	ZINC000366884797	555959681	/nfs/dbraw/zinc/95/96/81/555959681.db2.gz	OOWNTUUOTGZOOA-INIZCTEOSA-N	1	1	367.490	2.312	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCO1	ZINC000366884797	555959683	/nfs/dbraw/zinc/95/96/83/555959683.db2.gz	OOWNTUUOTGZOOA-INIZCTEOSA-N	1	1	367.490	2.312	20	30		FEEDMO
C#CC[C@@]1(C(=O)N[C@H]2CCc3nc[nH]c3C2)CCCN1C(=O)OC(C)(C)C	ZINC000367723677	556123695	/nfs/dbraw/zinc/12/36/95/556123695.db2.gz	CSDHAKWZYNPAAL-XOBRGWDASA-N	1	1	372.469	2.176	20	30		FEEDMO
C#CCCCS(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000367805957	556144168	/nfs/dbraw/zinc/14/41/68/556144168.db2.gz	FHHHCSACRAHJBF-MOPGFXCFSA-N	1	1	362.495	2.306	20	30		FEEDMO
C#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000367805957	556144170	/nfs/dbraw/zinc/14/41/70/556144170.db2.gz	FHHHCSACRAHJBF-MOPGFXCFSA-N	1	1	362.495	2.306	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000367851578	556154958	/nfs/dbraw/zinc/15/49/58/556154958.db2.gz	AXODCLSYKJGIQZ-LSDHHAIUSA-N	1	1	370.453	2.049	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)C[C@@H]2[C@@H]1c1ccccc1	ZINC000368619105	556364625	/nfs/dbraw/zinc/36/46/25/556364625.db2.gz	NNRQKHMNLLMFOL-HFTRVMKXSA-N	1	1	357.435	2.075	20	30		FEEDMO
CCCN1CC[NH+](C2CCN(C(=O)c3ccc(/C=N/OC)cc3)CC2)CC1	ZINC000369158875	556521050	/nfs/dbraw/zinc/52/10/50/556521050.db2.gz	VIRFTDBGRHNONB-OQKWZONESA-N	1	1	372.513	2.299	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2CC(=O)Nc2cccc(C#N)c2)n1	ZINC000369248775	556548624	/nfs/dbraw/zinc/54/86/24/556548624.db2.gz	GELJQZMXTBAERM-SFHVURJKSA-N	1	1	352.442	2.260	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2CC(=O)Nc2cccc(C#N)c2)n1	ZINC000369248775	556548627	/nfs/dbraw/zinc/54/86/27/556548627.db2.gz	GELJQZMXTBAERM-SFHVURJKSA-N	1	1	352.442	2.260	20	30		FEEDMO
COC(=O)[C@]12C[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C[C@H]1COCC2	ZINC000369540545	556625553	/nfs/dbraw/zinc/62/55/53/556625553.db2.gz	JPBQWJKFQQMWTF-YVEFUNNKSA-N	1	1	352.793	2.362	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1	ZINC000370018485	556759048	/nfs/dbraw/zinc/75/90/48/556759048.db2.gz	JFVNYIVVIZMEIV-KRWDZBQOSA-N	1	1	368.485	2.055	20	30		FEEDMO
C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C	ZINC000516514638	562045668	/nfs/dbraw/zinc/04/56/68/562045668.db2.gz	CEXHMYAGACHDMY-OAGGEKHMSA-N	1	1	351.495	2.107	20	30		FEEDMO
NC(=O)c1cccnc1N1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1	ZINC000370207728	556811044	/nfs/dbraw/zinc/81/10/44/556811044.db2.gz	WKGUIXJDJJXSQE-UHFFFAOYSA-N	1	1	368.868	2.398	20	30		FEEDMO
NC(=O)c1cccnc1N1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1	ZINC000370207728	556811048	/nfs/dbraw/zinc/81/10/48/556811048.db2.gz	WKGUIXJDJJXSQE-UHFFFAOYSA-N	1	1	368.868	2.398	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1	ZINC000370246360	556821125	/nfs/dbraw/zinc/82/11/25/556821125.db2.gz	FCUKKKDBCSHNTE-KRWDZBQOSA-N	1	1	355.486	2.380	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ncc([N+](=O)[O-])cc1C#N	ZINC000370710539	556946188	/nfs/dbraw/zinc/94/61/88/556946188.db2.gz	UHSDZIXVVZKLFZ-YOEHRIQHSA-N	1	1	352.398	2.386	20	30		FEEDMO
CN(C(=O)CSc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000370819555	556978447	/nfs/dbraw/zinc/97/84/47/556978447.db2.gz	LCILMJXPQIDPGS-SFHVURJKSA-N	1	1	372.538	2.277	20	30		FEEDMO
CN(C(=O)CSc1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000370819555	556978449	/nfs/dbraw/zinc/97/84/49/556978449.db2.gz	LCILMJXPQIDPGS-SFHVURJKSA-N	1	1	372.538	2.277	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC2(CCOC2=O)CC1	ZINC000371152565	557090082	/nfs/dbraw/zinc/09/00/82/557090082.db2.gz	XZSNCCLWOLXZIE-HNNXBMFYSA-N	1	1	373.428	2.490	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000371292791	557134158	/nfs/dbraw/zinc/13/41/58/557134158.db2.gz	RXJHFNYLOXAMGY-DNVCBOLYSA-N	1	1	367.453	2.482	20	30		FEEDMO
Cc1cc(=NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)[nH]n1CCC#N	ZINC000371527365	557211068	/nfs/dbraw/zinc/21/10/68/557211068.db2.gz	WCJPVZRRLOWMFC-UHFFFAOYSA-N	1	1	367.457	2.599	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000372004029	557353870	/nfs/dbraw/zinc/35/38/70/557353870.db2.gz	MEMVJQJVSIJJBT-RBUKOAKNSA-N	1	1	372.469	2.032	20	30		FEEDMO
C=CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372600363	557517086	/nfs/dbraw/zinc/51/70/86/557517086.db2.gz	MQOGXAXBIYRSQE-KRWDZBQOSA-N	1	1	369.425	2.080	20	30		FEEDMO
CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000372669128	557533429	/nfs/dbraw/zinc/53/34/29/557533429.db2.gz	HELIVUXQZAEXSC-OAHLLOKOSA-N	1	1	369.400	2.086	20	30		FEEDMO
COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1	ZINC000373100244	557628101	/nfs/dbraw/zinc/62/81/01/557628101.db2.gz	QWQNTWAESXCZCD-MRXNPFEDSA-N	1	1	359.536	2.079	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000520189673	562150094	/nfs/dbraw/zinc/15/00/94/562150094.db2.gz	NXRLVWRLBDWRJI-LJQANCHMSA-N	1	1	368.462	2.077	20	30		FEEDMO
C=CC[N@@H+](C[C@H](O)COC(C)(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000520195996	562150352	/nfs/dbraw/zinc/15/03/52/562150352.db2.gz	UBEDMFBUWOPHKA-YJBOKZPZSA-N	1	1	359.474	2.387	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000374587955	557903240	/nfs/dbraw/zinc/90/32/40/557903240.db2.gz	YKVTVWCOLWYRDP-BBWFWOEESA-N	1	1	356.536	2.052	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000374592014	557903762	/nfs/dbraw/zinc/90/37/62/557903762.db2.gz	IOBDKCWCPJNADM-IRXDYDNUSA-N	1	1	364.515	2.062	20	30		FEEDMO
C[C@@H]1CN(CCCOc2cccc(C#N)c2)CC[N@@H+]1C1CCN(C)CC1	ZINC000374602552	557905495	/nfs/dbraw/zinc/90/54/95/557905495.db2.gz	IFJHEHSFRJMBJY-GOSISDBHSA-N	1	1	356.514	2.427	20	30		FEEDMO
C[C@@H]1CN(CCCOc2cccc(C#N)c2)CC[N@H+]1C1CCN(C)CC1	ZINC000374602552	557905497	/nfs/dbraw/zinc/90/54/97/557905497.db2.gz	IFJHEHSFRJMBJY-GOSISDBHSA-N	1	1	356.514	2.427	20	30		FEEDMO
COc1ccc2c(c1)OCC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2	ZINC000374775943	557929642	/nfs/dbraw/zinc/92/96/42/557929642.db2.gz	KJYSJVIXVPTXND-QGZVFWFLSA-N	1	1	354.406	2.201	20	30		FEEDMO
COc1ccc2c(c1)OCC[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2	ZINC000374775943	557929645	/nfs/dbraw/zinc/92/96/45/557929645.db2.gz	KJYSJVIXVPTXND-QGZVFWFLSA-N	1	1	354.406	2.201	20	30		FEEDMO
Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1ccc(C#N)cc1	ZINC000374794074	557932432	/nfs/dbraw/zinc/93/24/32/557932432.db2.gz	NOGYVDNOZWDALA-IPQPSQTFSA-N	1	1	366.465	2.442	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc(C#N)c(Cl)n2)C[C@@H](C)O1	ZINC000375085131	557975452	/nfs/dbraw/zinc/97/54/52/557975452.db2.gz	QEHAJCVBLBMVHE-NFAWXSAZSA-N	1	1	362.861	2.320	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@H](n3cncn3)C1)CCCC2	ZINC000375319416	558008595	/nfs/dbraw/zinc/00/85/95/558008595.db2.gz	ODMYZALREPNBLU-ZDUSSCGKSA-N	1	1	370.482	2.366	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](n3cncn3)C2)c1	ZINC000375321188	558008722	/nfs/dbraw/zinc/00/87/22/558008722.db2.gz	VQHGMANMKVUUKO-QGZVFWFLSA-N	1	1	352.442	2.089	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](n3cncn3)C2)c1	ZINC000375321188	558008723	/nfs/dbraw/zinc/00/87/23/558008723.db2.gz	VQHGMANMKVUUKO-QGZVFWFLSA-N	1	1	352.442	2.089	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2	ZINC000375701277	558069716	/nfs/dbraw/zinc/06/97/16/558069716.db2.gz	BQANRJQEKHNUIL-UHFFFAOYSA-N	1	1	364.490	2.224	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2	ZINC000375701277	558069717	/nfs/dbraw/zinc/06/97/17/558069717.db2.gz	BQANRJQEKHNUIL-UHFFFAOYSA-N	1	1	364.490	2.224	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1	ZINC000375761238	558078817	/nfs/dbraw/zinc/07/88/17/558078817.db2.gz	VKOUOHODQMOEHB-ROUUACIJSA-N	1	1	373.453	2.436	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1	ZINC000375761238	558078819	/nfs/dbraw/zinc/07/88/19/558078819.db2.gz	VKOUOHODQMOEHB-ROUUACIJSA-N	1	1	373.453	2.436	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+](Cc3ccn(-c4ccc(F)cc4)n3)CC2)n1	ZINC000375918518	558099603	/nfs/dbraw/zinc/09/96/03/558099603.db2.gz	GQJDGGVYGBMMBR-UHFFFAOYSA-N	1	1	351.389	2.312	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@H]21	ZINC000376075044	558123309	/nfs/dbraw/zinc/12/33/09/558123309.db2.gz	KYDTYTDXLGFHDJ-OXJNMPFZSA-N	1	1	370.472	2.466	20	30		FEEDMO
N#Cc1ncn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1	ZINC000376122237	558129833	/nfs/dbraw/zinc/12/98/33/558129833.db2.gz	GHWOMCYEVHSMCF-XUVXKRRUSA-N	1	1	364.497	2.430	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CN(C)c2nc(C)cc(C#N)n2)[C@@H]1c1cnn(C)c1	ZINC000376381508	558165802	/nfs/dbraw/zinc/16/58/02/558165802.db2.gz	KMROHHCLZKRIJG-MAUKXSAKSA-N	1	1	353.474	2.300	20	30		FEEDMO
N#Cc1ccc(S(N)(=O)=O)cc1NC[C@@H]1CCC[N@H+]1C1CCCCC1	ZINC000376433342	558172714	/nfs/dbraw/zinc/17/27/14/558172714.db2.gz	HQOLNEKEBMXVRN-INIZCTEOSA-N	1	1	362.499	2.415	20	30		FEEDMO
C=CCCCCCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C	ZINC000377218567	558291747	/nfs/dbraw/zinc/29/17/47/558291747.db2.gz	WEPZHXNNXGKRIN-AYHJJNSGSA-N	1	1	364.534	2.458	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CC(N)=O)C1	ZINC000377608985	558376595	/nfs/dbraw/zinc/37/65/95/558376595.db2.gz	WPTGOBITPGAUHU-ZIAGYGMSSA-N	1	1	360.483	2.217	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](CC(N)=O)C1	ZINC000377608985	558376597	/nfs/dbraw/zinc/37/65/97/558376597.db2.gz	WPTGOBITPGAUHU-ZIAGYGMSSA-N	1	1	360.483	2.217	20	30		FEEDMO
C#Cc1ccccc1CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1	ZINC000377939118	558449398	/nfs/dbraw/zinc/44/93/98/558449398.db2.gz	JFAINZVBHOHYAC-NQIIRXRSSA-N	1	1	350.466	2.143	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@H](Nc3nccc(C#N)c3[N+](=O)[O-])[C@@H](C)C2)s1	ZINC000378130984	558487872	/nfs/dbraw/zinc/48/78/72/558487872.db2.gz	DKTPHEVECQTPLZ-NHYWBVRUSA-N	1	1	372.454	2.949	20	30		FEEDMO
CC(C)c1nc(CN2CCC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)CC2)no1	ZINC000378143925	558490421	/nfs/dbraw/zinc/49/04/21/558490421.db2.gz	PYDBAURVQWHIGA-SFHVURJKSA-N	1	1	369.469	2.306	20	30		FEEDMO
C[C@@H]1COCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000378291893	558521427	/nfs/dbraw/zinc/52/14/27/558521427.db2.gz	QUPCUJDSRLUHCR-AWEZNQCLSA-N	1	1	354.372	2.141	20	30		FEEDMO
C[C@@H]1COCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000378291893	558521430	/nfs/dbraw/zinc/52/14/30/558521430.db2.gz	QUPCUJDSRLUHCR-AWEZNQCLSA-N	1	1	354.372	2.141	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)cc1	ZINC000378337980	558532760	/nfs/dbraw/zinc/53/27/60/558532760.db2.gz	RBFVZYNWSXTGPJ-QGZVFWFLSA-N	1	1	372.513	2.400	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(CN2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)cc1	ZINC000378337980	558532765	/nfs/dbraw/zinc/53/27/65/558532765.db2.gz	RBFVZYNWSXTGPJ-QGZVFWFLSA-N	1	1	372.513	2.400	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(CN2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)cc1	ZINC000378337980	558532769	/nfs/dbraw/zinc/53/27/69/558532769.db2.gz	RBFVZYNWSXTGPJ-QGZVFWFLSA-N	1	1	372.513	2.400	20	30		FEEDMO
Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)cn1	ZINC000378357589	558537786	/nfs/dbraw/zinc/53/77/86/558537786.db2.gz	CKFFBKHZPGWEER-IEBWSBKVSA-N	1	1	367.453	2.208	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000523496961	562214240	/nfs/dbraw/zinc/21/42/40/562214240.db2.gz	LNFOWGJIXIZEHN-YOEHRIQHSA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000523496961	562214241	/nfs/dbraw/zinc/21/42/41/562214241.db2.gz	LNFOWGJIXIZEHN-YOEHRIQHSA-N	1	1	356.451	2.067	20	30		FEEDMO
Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C3CCCCCC3)C2)nn1CCC#N	ZINC000378517168	558573461	/nfs/dbraw/zinc/57/34/61/558573461.db2.gz	JQFXTLISPDJEDP-MRXNPFEDSA-N	1	1	358.490	3.024	20	30		FEEDMO
CN1C(=O)CSC12CC[NH+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2	ZINC000378624118	558596283	/nfs/dbraw/zinc/59/62/83/558596283.db2.gz	QXZGZHDLRUBTGM-UHFFFAOYSA-N	1	1	369.450	2.106	20	30		FEEDMO
COc1cc(C[NH2+]CCN2CCN(Cc3ccccc3)CC2)ccc1C#N	ZINC000390854676	558612823	/nfs/dbraw/zinc/61/28/23/558612823.db2.gz	FYPQXJUQPHXABE-UHFFFAOYSA-N	1	1	364.493	2.474	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@@H]1C	ZINC000408332649	558667580	/nfs/dbraw/zinc/66/75/80/558667580.db2.gz	YCZVEBPKQIWDAK-JKSUJKDBSA-N	1	1	367.497	2.375	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)[N@@H+](C)C1CC1	ZINC000410117604	558739434	/nfs/dbraw/zinc/73/94/34/558739434.db2.gz	MOYFAMWGUPKIBW-SNVBAGLBSA-N	1	1	361.389	2.338	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)N(CC)C[C@@H](C)C#N)C1	ZINC000410130635	558740509	/nfs/dbraw/zinc/74/05/09/558740509.db2.gz	MTTUMODGUQBYGU-JKSUJKDBSA-N	1	1	358.552	2.203	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H](C)C1	ZINC000410485460	558766676	/nfs/dbraw/zinc/76/66/76/558766676.db2.gz	TVSFLAXWDRIYDH-CZUORRHYSA-N	1	1	364.877	2.473	20	30		FEEDMO
C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F	ZINC000411183723	558849912	/nfs/dbraw/zinc/84/99/12/558849912.db2.gz	ZSOKTAJMMOLRJU-LBPRGKRZSA-N	1	1	373.375	2.460	20	30		FEEDMO
C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F	ZINC000411183723	558849913	/nfs/dbraw/zinc/84/99/13/558849913.db2.gz	ZSOKTAJMMOLRJU-LBPRGKRZSA-N	1	1	373.375	2.460	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000411476621	558901632	/nfs/dbraw/zinc/90/16/32/558901632.db2.gz	HEHPLJXNVGTPRK-UHFFFAOYSA-N	1	1	351.366	2.248	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1(CCO)CCOCC1	ZINC000411495557	558905301	/nfs/dbraw/zinc/90/53/01/558905301.db2.gz	LEOWWGUEYQFDMT-UHFFFAOYSA-N	1	1	365.861	2.404	20	30		FEEDMO
COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000411910107	558986642	/nfs/dbraw/zinc/98/66/42/558986642.db2.gz	LDCVLOYHBOJDID-NEWSRXKRSA-N	1	1	359.470	2.020	20	30		FEEDMO
COC[C@@H]1C[C@H](O)C[N@H+]1[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000411910107	558986643	/nfs/dbraw/zinc/98/66/43/558986643.db2.gz	LDCVLOYHBOJDID-NEWSRXKRSA-N	1	1	359.470	2.020	20	30		FEEDMO
CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1	ZINC000411931788	558990359	/nfs/dbraw/zinc/99/03/59/558990359.db2.gz	IDWBSZZPXABFTA-OAHLLOKOSA-N	1	1	352.438	2.148	20	30		FEEDMO
CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1	ZINC000411931788	558990360	/nfs/dbraw/zinc/99/03/60/558990360.db2.gz	IDWBSZZPXABFTA-OAHLLOKOSA-N	1	1	352.438	2.148	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000411961503	558995761	/nfs/dbraw/zinc/99/57/61/558995761.db2.gz	FIVSDHFKYJAWOO-NRFANRHFSA-N	1	1	362.433	2.016	20	30		FEEDMO
C[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000411990437	558999806	/nfs/dbraw/zinc/99/98/06/558999806.db2.gz	ZFDOBXDSWOUWJG-SFHVURJKSA-N	1	1	362.477	2.381	20	30		FEEDMO
COC(=O)[C@@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CC[N@@H+](C)C1	ZINC000414485756	559168066	/nfs/dbraw/zinc/16/80/66/559168066.db2.gz	IKWNWQVBWNJVEK-AWEZNQCLSA-N	1	1	355.360	2.114	20	30		FEEDMO
CC[N@@H+]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1	ZINC000416388559	559309369	/nfs/dbraw/zinc/30/93/69/559309369.db2.gz	NACTWJASJVXWCN-UHFFFAOYSA-N	1	1	372.288	2.037	20	30		FEEDMO
CC[N@H+]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1	ZINC000416388559	559309370	/nfs/dbraw/zinc/30/93/70/559309370.db2.gz	NACTWJASJVXWCN-UHFFFAOYSA-N	1	1	372.288	2.037	20	30		FEEDMO
CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000418084062	559389703	/nfs/dbraw/zinc/38/97/03/559389703.db2.gz	USQDQTGFUDYIDH-QGZVFWFLSA-N	1	1	350.422	2.308	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC1(C#N)CCC1	ZINC000419458789	559443323	/nfs/dbraw/zinc/44/33/23/559443323.db2.gz	FFHAUQIGILJXAB-QGZVFWFLSA-N	1	1	355.486	2.190	20	30		FEEDMO
N#CC1(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCC1	ZINC000419482054	559444571	/nfs/dbraw/zinc/44/45/71/559444571.db2.gz	SNEVIOMFQOIMIR-SFHVURJKSA-N	1	1	356.470	2.136	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C	ZINC000420924586	559511758	/nfs/dbraw/zinc/51/17/58/559511758.db2.gz	KELDEJNKNOJKFB-SPYBWZPUSA-N	1	1	351.491	2.483	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C	ZINC000420924586	559511759	/nfs/dbraw/zinc/51/17/59/559511759.db2.gz	KELDEJNKNOJKFB-SPYBWZPUSA-N	1	1	351.491	2.483	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000422301037	559576932	/nfs/dbraw/zinc/57/69/32/559576932.db2.gz	WBAYHCKEJDQNPH-OALUTQOASA-N	1	1	369.509	2.423	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000425378407	559698727	/nfs/dbraw/zinc/69/87/27/559698727.db2.gz	BGZHHFXYMKHCTB-AYOQOUSVSA-N	1	1	368.481	2.020	20	30		FEEDMO
C[C@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CN1CC[NH+](C)CC1	ZINC000425468434	559703681	/nfs/dbraw/zinc/70/36/81/559703681.db2.gz	DOXNWYOZOAJBSE-SJORKVTESA-N	1	1	357.502	2.144	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000425503222	559706268	/nfs/dbraw/zinc/70/62/68/559706268.db2.gz	RPAYQMDEQDPNLC-SJORKVTESA-N	1	1	357.502	2.287	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nn1	ZINC000425502261	559706329	/nfs/dbraw/zinc/70/63/29/559706329.db2.gz	PNVGMOMQTNUCSL-IBGZPJMESA-N	1	1	370.501	2.420	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000425878673	559723804	/nfs/dbraw/zinc/72/38/04/559723804.db2.gz	DKEZYRVJIJXGMH-FMJMRLDVSA-N	1	1	368.481	2.209	20	30		FEEDMO
C=CCn1cc(CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000425883642	559723830	/nfs/dbraw/zinc/72/38/30/559723830.db2.gz	VUCLEEUWSQXMRA-LJQANCHMSA-N	1	1	368.485	2.270	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCCC[N@@H+](C)C1CC1	ZINC000425908029	559724780	/nfs/dbraw/zinc/72/47/80/559724780.db2.gz	FHHLCVZWNDDDLB-OAHLLOKOSA-N	1	1	356.470	2.068	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(O)(C(F)F)CC1	ZINC000426247092	559731478	/nfs/dbraw/zinc/73/14/78/559731478.db2.gz	YLBOZTOVMPVLGZ-XOYHFGRZSA-N	1	1	357.445	2.398	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)CNc2cccc(C#N)c2)[C@@H](C)C1	ZINC000426746174	559741359	/nfs/dbraw/zinc/74/13/59/559741359.db2.gz	JBPPINIYOBCZBL-LPHOPBHVSA-N	1	1	358.486	2.223	20	30		FEEDMO
C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428811086	559783870	/nfs/dbraw/zinc/78/38/70/559783870.db2.gz	ZBXOVSVWQOOESA-APWZRJJASA-N	1	1	364.449	2.154	20	30		FEEDMO
C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428811086	559783871	/nfs/dbraw/zinc/78/38/71/559783871.db2.gz	ZBXOVSVWQOOESA-APWZRJJASA-N	1	1	364.449	2.154	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cnn(CC(F)(F)F)c3)C2)nc1	ZINC000430175000	559814863	/nfs/dbraw/zinc/81/48/63/559814863.db2.gz	GPMJSUOJVYOGQQ-CQSZACIVSA-N	1	1	351.332	2.365	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cnn(CC(F)(F)F)c3)C2)nc1	ZINC000430175000	559814864	/nfs/dbraw/zinc/81/48/64/559814864.db2.gz	GPMJSUOJVYOGQQ-CQSZACIVSA-N	1	1	351.332	2.365	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1	ZINC000433515252	559883391	/nfs/dbraw/zinc/88/33/91/559883391.db2.gz	KJZCLNGPDNEAQO-INIZCTEOSA-N	1	1	366.396	2.027	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)no1	ZINC000435885687	559931828	/nfs/dbraw/zinc/93/18/28/559931828.db2.gz	MZHXGIUOBTVWGO-AWEZNQCLSA-N	1	1	359.455	2.188	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)no1	ZINC000435885687	559931829	/nfs/dbraw/zinc/93/18/29/559931829.db2.gz	MZHXGIUOBTVWGO-AWEZNQCLSA-N	1	1	359.455	2.188	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1(C)C	ZINC000441014895	560021513	/nfs/dbraw/zinc/02/15/13/560021513.db2.gz	PYTFEXMIKRUTJI-SFHVURJKSA-N	1	1	357.502	2.357	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000442272800	560047366	/nfs/dbraw/zinc/04/73/66/560047366.db2.gz	UHAKXCUUVWHXTC-WDEREUQCSA-N	1	1	368.359	2.067	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000442272800	560047367	/nfs/dbraw/zinc/04/73/67/560047367.db2.gz	UHAKXCUUVWHXTC-WDEREUQCSA-N	1	1	368.359	2.067	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[N@H+]1CCCC[C@@H]1C	ZINC000443104691	560070685	/nfs/dbraw/zinc/07/06/85/560070685.db2.gz	NYSBTDHISMEYOJ-QWHCGFSZSA-N	1	1	366.443	2.008	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)cc1C#N	ZINC000443392458	560082873	/nfs/dbraw/zinc/08/28/73/560082873.db2.gz	XWPGUANLCWYEAM-INIZCTEOSA-N	1	1	353.463	2.486	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH2+]C1(c2cccc(OC)c2F)CCOCC1	ZINC000447358102	560160869	/nfs/dbraw/zinc/16/08/69/560160869.db2.gz	ZDYKSWRNDPCCEF-UHFFFAOYSA-N	1	1	363.433	2.192	20	30		FEEDMO
C=CC1CCN(c2nc(NCCOC)[nH+]c(N3CCC(C=C)CC3)n2)CC1	ZINC000448132541	560178641	/nfs/dbraw/zinc/17/86/41/560178641.db2.gz	MREVVGNUDWKGNQ-UHFFFAOYSA-N	1	1	372.517	2.157	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000448326019	560184871	/nfs/dbraw/zinc/18/48/71/560184871.db2.gz	VRFQKXXPIDFWDJ-HNNXBMFYSA-N	1	1	362.861	2.387	20	30		FEEDMO
CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc(C#N)[nH]c1C	ZINC000448794175	560199721	/nfs/dbraw/zinc/19/97/21/560199721.db2.gz	BEZLBPFAPYVOIR-MRXNPFEDSA-N	1	1	360.458	2.075	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Br)cc1C#N	ZINC000448911716	560206308	/nfs/dbraw/zinc/20/63/08/560206308.db2.gz	QSCKTXABGALNFS-CQSZACIVSA-N	1	1	366.259	2.161	20	30		FEEDMO
C=CC[N@@H+](Cc1ccnc(OC)n1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000449031371	560213361	/nfs/dbraw/zinc/21/33/61/560213361.db2.gz	WPWNQHWKZVTPCX-CQSZACIVSA-N	1	1	351.414	2.210	20	30		FEEDMO
C=CC[N@H+](Cc1ccnc(OC)n1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000449031371	560213362	/nfs/dbraw/zinc/21/33/62/560213362.db2.gz	WPWNQHWKZVTPCX-CQSZACIVSA-N	1	1	351.414	2.210	20	30		FEEDMO
N#CCCn1cc(CNC[C@H]2CCC[N@H+]2CCCO)c(-c2ccccc2)n1	ZINC000449390094	560228412	/nfs/dbraw/zinc/22/84/12/560228412.db2.gz	VGMNBFMMCCXQLD-HXUWFJFHSA-N	1	1	367.497	2.400	20	30		FEEDMO
N#CCCn1cc(CNC[C@H]2CCC[N@@H+]2CCCO)c(-c2ccccc2)n1	ZINC000449390094	560228413	/nfs/dbraw/zinc/22/84/13/560228413.db2.gz	VGMNBFMMCCXQLD-HXUWFJFHSA-N	1	1	367.497	2.400	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1	ZINC000449854107	560242795	/nfs/dbraw/zinc/24/27/95/560242795.db2.gz	FBQHDLPPXLDFRZ-GFCCVEGCSA-N	1	1	366.259	2.252	20	30		FEEDMO
CN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000450229058	560254668	/nfs/dbraw/zinc/25/46/68/560254668.db2.gz	WDDPLFBOSKVOCN-RBUKOAKNSA-N	1	1	371.529	2.306	20	30		FEEDMO
C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)COc1ccc(C#N)c(Br)c1	ZINC000450346689	560259376	/nfs/dbraw/zinc/25/93/76/560259376.db2.gz	FPFQZWZHMHQFSB-RYUDHWBXSA-N	1	1	366.259	2.251	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000450351553	560259492	/nfs/dbraw/zinc/25/94/92/560259492.db2.gz	VJYNITFSEUGVHU-UMVBOHGHSA-N	1	1	374.872	2.116	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000451172467	560291208	/nfs/dbraw/zinc/29/12/08/560291208.db2.gz	WSNFSZKUQCWWPE-MRXNPFEDSA-N	1	1	374.485	2.463	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000451172467	560291209	/nfs/dbraw/zinc/29/12/09/560291209.db2.gz	WSNFSZKUQCWWPE-MRXNPFEDSA-N	1	1	374.485	2.463	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000451478205	560309409	/nfs/dbraw/zinc/30/94/09/560309409.db2.gz	JMUHHVBSFXBIRG-INIZCTEOSA-N	1	1	353.463	2.237	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(CC#Cc3ccc(F)cc3)C2)CC1	ZINC000451533866	560312799	/nfs/dbraw/zinc/31/27/99/560312799.db2.gz	XBBQMDIEOLDNPP-NRFANRHFSA-N	1	1	371.500	2.443	20	30		FEEDMO
CC(C)OCCOC1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000451956182	560340404	/nfs/dbraw/zinc/34/04/04/560340404.db2.gz	NMFNUPAKIMMWFL-QFBILLFUSA-N	1	1	353.507	2.335	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@@H]1c1ccccc1	ZINC000452000815	560344316	/nfs/dbraw/zinc/34/43/16/560344316.db2.gz	ZTRWFCKVDWWGOY-FLTJSSMESA-N	1	1	371.481	2.318	20	30		FEEDMO
C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](CCOCC)[C@@H](C)C1	ZINC000453417326	560386216	/nfs/dbraw/zinc/38/62/16/560386216.db2.gz	ZXTPXDRXPKAPFZ-ULQDDVLXSA-N	1	1	363.506	2.251	20	30		FEEDMO
C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCOCC)CC1	ZINC000453459488	560387234	/nfs/dbraw/zinc/38/72/34/560387234.db2.gz	CIPMLFQAKNPFCN-QGZVFWFLSA-N	1	1	363.506	2.254	20	30		FEEDMO
C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453643889	560392943	/nfs/dbraw/zinc/39/29/43/560392943.db2.gz	LOHAGLHOCXZYRG-UKRRQHHQSA-N	1	1	374.872	2.430	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453643889	560392944	/nfs/dbraw/zinc/39/29/44/560392944.db2.gz	LOHAGLHOCXZYRG-UKRRQHHQSA-N	1	1	374.872	2.430	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453647259	560393197	/nfs/dbraw/zinc/39/31/97/560393197.db2.gz	RJFHMPKFTBIROH-GOSISDBHSA-N	1	1	356.470	2.462	20	30		FEEDMO
C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453771402	560403232	/nfs/dbraw/zinc/40/32/32/560403232.db2.gz	UODIGZFYDJGTMI-KBPBESRZSA-N	1	1	372.469	2.225	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453771402	560403233	/nfs/dbraw/zinc/40/32/33/560403233.db2.gz	UODIGZFYDJGTMI-KBPBESRZSA-N	1	1	372.469	2.225	20	30		FEEDMO
C=C(CC)CNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000454618510	560451521	/nfs/dbraw/zinc/45/15/21/560451521.db2.gz	MNVJTQIMMQOKIB-UHFFFAOYSA-N	1	1	360.458	2.171	20	30		FEEDMO
C=CC[C@@H](CC)NC(=O)N1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1	ZINC000454912647	560463188	/nfs/dbraw/zinc/46/31/88/560463188.db2.gz	NCFJYKVQMDKIEA-RBUKOAKNSA-N	1	1	364.534	2.317	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2cnc(C#N)c(Cl)c2)C[C@H](C)O1	ZINC000455771543	560494406	/nfs/dbraw/zinc/49/44/06/560494406.db2.gz	YWUDOMGXUDGRMM-TXEJJXNPSA-N	1	1	351.838	2.180	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2cnc(C#N)c(Cl)c2)C[C@H](C)O1	ZINC000455771543	560494407	/nfs/dbraw/zinc/49/44/07/560494407.db2.gz	YWUDOMGXUDGRMM-TXEJJXNPSA-N	1	1	351.838	2.180	20	30		FEEDMO
N#Cc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F	ZINC000456834943	560534098	/nfs/dbraw/zinc/53/40/98/560534098.db2.gz	KDUXUMQKRJQFEH-IBGZPJMESA-N	1	1	353.397	2.215	20	30		FEEDMO
N#Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F	ZINC000456834943	560534099	/nfs/dbraw/zinc/53/40/99/560534099.db2.gz	KDUXUMQKRJQFEH-IBGZPJMESA-N	1	1	353.397	2.215	20	30		FEEDMO
C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1	ZINC000457105327	560549182	/nfs/dbraw/zinc/54/91/82/560549182.db2.gz	DRACKGIIEMLYKJ-MRXNPFEDSA-N	1	1	364.449	2.440	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1	ZINC000457105327	560549183	/nfs/dbraw/zinc/54/91/83/560549183.db2.gz	DRACKGIIEMLYKJ-MRXNPFEDSA-N	1	1	364.449	2.440	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC(C)(C)CC#N	ZINC000458444919	560623843	/nfs/dbraw/zinc/62/38/43/560623843.db2.gz	PONLYKQLKOWMTQ-QGZVFWFLSA-N	1	1	357.502	2.436	20	30		FEEDMO
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N	ZINC000459455453	560687438	/nfs/dbraw/zinc/68/74/38/560687438.db2.gz	FJRHXPKGDWCXMJ-UYAOXDASSA-N	1	1	365.481	2.446	20	30		FEEDMO
N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCCOc1cccc(C(F)(F)F)c1	ZINC000459475407	560688507	/nfs/dbraw/zinc/68/85/07/560688507.db2.gz	ZWRKGTZOKMHIBB-WFASDCNBSA-N	1	1	355.360	2.482	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1	ZINC000459586737	560696119	/nfs/dbraw/zinc/69/61/19/560696119.db2.gz	PMBJJONLYQIMAB-NIKGAXFTSA-N	1	1	351.491	2.483	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000459818680	560710607	/nfs/dbraw/zinc/71/06/07/560710607.db2.gz	RBMTVKREQAICFM-VQTJNVASSA-N	1	1	367.493	2.168	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[NH+]([C@H](C)CC)CC1	ZINC000460028711	560730196	/nfs/dbraw/zinc/73/01/96/560730196.db2.gz	JXEDVMBWWWHXMP-QGZVFWFLSA-N	1	1	373.497	2.153	20	30		FEEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[NH+]([C@@H](C)CC)CC1	ZINC000460074501	560733360	/nfs/dbraw/zinc/73/33/60/560733360.db2.gz	ZTDLEMCHGIESPO-KRWDZBQOSA-N	1	1	368.481	2.016	20	30		FEEDMO
C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1	ZINC000460804423	560752315	/nfs/dbraw/zinc/75/23/15/560752315.db2.gz	PXUBVUQVDFKHNK-SFHVURJKSA-N	1	1	358.534	2.338	20	30		FEEDMO
N#CCN1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1	ZINC000461482730	560773678	/nfs/dbraw/zinc/77/36/78/560773678.db2.gz	SBFWOPNIZREIHS-MOPGFXCFSA-N	1	1	372.488	2.389	20	30		FEEDMO
C[C@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)[N@H+]1CCC[C@H](C)C1	ZINC000462128997	560798315	/nfs/dbraw/zinc/79/83/15/560798315.db2.gz	OTQJGUCLYYIDAF-JKSUJKDBSA-N	1	1	356.470	2.451	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000463679979	560821105	/nfs/dbraw/zinc/82/11/05/560821105.db2.gz	PVCWVXMKCKUJCI-KRWDZBQOSA-N	1	1	371.462	2.120	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000463679979	560821106	/nfs/dbraw/zinc/82/11/06/560821106.db2.gz	PVCWVXMKCKUJCI-KRWDZBQOSA-N	1	1	371.462	2.120	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)C1	ZINC000468509174	560931866	/nfs/dbraw/zinc/93/18/66/560931866.db2.gz	BCFZVZWUVANVAA-QGZVFWFLSA-N	1	1	368.437	2.300	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000469456136	560955698	/nfs/dbraw/zinc/95/56/98/560955698.db2.gz	CPBHHFYTCATPIY-DFQSSKMNSA-N	1	1	357.498	2.295	20	30		FEEDMO
CCN(C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1)CC(F)(F)F	ZINC000469720584	560962731	/nfs/dbraw/zinc/96/27/31/560962731.db2.gz	IVZJCQGTWMJEEK-KGLIPLIRSA-N	1	1	360.424	2.143	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)cc1	ZINC000469846671	560966406	/nfs/dbraw/zinc/96/64/06/560966406.db2.gz	NXGMIEANQVZNFF-MAUKXSAKSA-N	1	1	373.453	2.215	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)cc1	ZINC000469846671	560966407	/nfs/dbraw/zinc/96/64/07/560966407.db2.gz	NXGMIEANQVZNFF-MAUKXSAKSA-N	1	1	373.453	2.215	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)cc1	ZINC000470033061	560972547	/nfs/dbraw/zinc/97/25/47/560972547.db2.gz	VICWAUNVXFXIBR-HXUWFJFHSA-N	1	1	373.453	2.217	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](C)(C(=O)OC)C2)cc1	ZINC000470033061	560972548	/nfs/dbraw/zinc/97/25/48/560972548.db2.gz	VICWAUNVXFXIBR-HXUWFJFHSA-N	1	1	373.453	2.217	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000471620481	561008986	/nfs/dbraw/zinc/00/89/86/561008986.db2.gz	JSDKPEOXJPLRPR-VQTJNVASSA-N	1	1	368.481	2.104	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](CCOc3cccc(Cl)c3)CC2)c1C#N	ZINC000472161456	561019756	/nfs/dbraw/zinc/01/97/56/561019756.db2.gz	LPKQPSBJOPSOPO-UHFFFAOYSA-N	1	1	359.861	2.455	20	30		FEEDMO
CCOc1ccccc1OCC[NH+]1CCN(c2c(C#N)c(C)nn2C)CC1	ZINC000472160834	561019807	/nfs/dbraw/zinc/01/98/07/561019807.db2.gz	VCDRTRNOUQISNK-UHFFFAOYSA-N	1	1	369.469	2.200	20	30		FEEDMO
CC(C)OCC[C@@H](O)C[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000472170663	561020053	/nfs/dbraw/zinc/02/00/53/561020053.db2.gz	ITJQLRVLBGHUSA-OAHLLOKOSA-N	1	1	374.441	2.104	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1	ZINC000472253309	561021915	/nfs/dbraw/zinc/02/19/15/561021915.db2.gz	ATPBWARJPMOWHO-PMACEKPBSA-N	1	1	350.466	2.431	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000473174085	561043502	/nfs/dbraw/zinc/04/35/02/561043502.db2.gz	NCIFSENQEXZGQT-UHFFFAOYSA-N	1	1	357.502	2.117	20	30		FEEDMO
C[C@@H](c1cccnc1)N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1	ZINC000528385577	562326206	/nfs/dbraw/zinc/32/62/06/562326206.db2.gz	CQKMGYWSMASMQF-PXNSSMCTSA-N	1	1	366.465	2.072	20	30		FEEDMO
Cc1cc(C2CC[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC2)n[nH]1	ZINC000528433778	562329104	/nfs/dbraw/zinc/32/91/04/562329104.db2.gz	WBEAZQJCTBBWAI-UHFFFAOYSA-N	1	1	362.433	2.197	20	30		FEEDMO
Cc1noc(C)c1CO[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528447039	562329808	/nfs/dbraw/zinc/32/98/08/562329808.db2.gz	CNAVDMBEZVVXHT-ZWKOTPCHSA-N	1	1	371.437	2.194	20	30		FEEDMO
Cc1noc(C)c1CO[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528447038	562329898	/nfs/dbraw/zinc/32/98/98/562329898.db2.gz	CNAVDMBEZVVXHT-ROUUACIJSA-N	1	1	371.437	2.194	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(-c2ccc(C#N)cc2)n1	ZINC000528782355	562347242	/nfs/dbraw/zinc/34/72/42/562347242.db2.gz	JAQMYHWZUIAYTR-UZEJHQAJSA-N	1	1	354.479	2.444	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2ccc(COC)c(C#N)c2)CC[N@H+]1C[C@@H](C)O	ZINC000529213592	562365179	/nfs/dbraw/zinc/36/51/79/562365179.db2.gz	SJOMHLXDTLHQOT-RDTXWAMCSA-N	1	1	360.458	2.014	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2C)c1C#N	ZINC000530360960	562408156	/nfs/dbraw/zinc/40/81/56/562408156.db2.gz	QWFNFBIYLBSKDU-SJCJKPOMSA-N	1	1	370.428	2.499	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1C#N	ZINC000530360960	562408157	/nfs/dbraw/zinc/40/81/57/562408157.db2.gz	QWFNFBIYLBSKDU-SJCJKPOMSA-N	1	1	370.428	2.499	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)Cc2cccc(C#N)c2)c2cccs2)CC1	ZINC000530915659	562428541	/nfs/dbraw/zinc/42/85/41/562428541.db2.gz	IEERBAQRLCSLEA-GOSISDBHSA-N	1	1	368.506	2.267	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1	ZINC000531283686	562440514	/nfs/dbraw/zinc/44/05/14/562440514.db2.gz	KDVXVODOYICVAK-CABCVRRESA-N	1	1	374.510	2.335	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC2(CNC(=O)C2)CC1	ZINC000532589712	562482456	/nfs/dbraw/zinc/48/24/56/562482456.db2.gz	CVHJCOFPTPJENI-GFCCVEGCSA-N	1	1	372.494	2.038	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCNC1=O	ZINC000534662416	562539694	/nfs/dbraw/zinc/53/96/94/562539694.db2.gz	UNPLAJPABKGAOL-AWEZNQCLSA-N	1	1	360.483	2.038	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1	ZINC000537130449	562586192	/nfs/dbraw/zinc/58/61/92/562586192.db2.gz	LGZOCLUSJREKPB-UHFFFAOYSA-N	1	1	370.430	2.340	20	30		FEEDMO
C=CC[C@@H](CO)NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000540997775	562599971	/nfs/dbraw/zinc/59/99/71/562599971.db2.gz	LYJHGZBBEQIUCO-INIZCTEOSA-N	1	1	353.507	2.036	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cc1	ZINC000541315271	562608737	/nfs/dbraw/zinc/60/87/37/562608737.db2.gz	AMTZXAIDCOWHFR-KFKAGJAMSA-N	1	1	357.454	2.035	20	30		FEEDMO
N#Cc1ccc(Br)cc1S(=O)(=O)NCC[NH+]1CCCCC1	ZINC000555947904	674382881	/nfs/dbraw/zinc/38/28/81/674382881.db2.gz	IYBTZDMCWCLIOS-UHFFFAOYSA-N	1	1	372.288	2.085	20	30		FEEDMO
C[C@@H](CCC#N)C[NH+]1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1	ZINC000602445378	567981134	/nfs/dbraw/zinc/98/11/34/567981134.db2.gz	UGVLPYBQMACUJN-INIZCTEOSA-N	1	1	356.536	2.053	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CC1	ZINC000602886101	568005743	/nfs/dbraw/zinc/00/57/43/568005743.db2.gz	JCAZKSRLLRWFRA-UONOGXRCSA-N	1	1	366.259	2.352	20	30		FEEDMO
Cn1cc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC2(C)C)cn1	ZINC000568468361	568041507	/nfs/dbraw/zinc/04/15/07/568041507.db2.gz	VYEUQALHOKRWCE-MJGOQNOKSA-N	1	1	354.454	2.157	20	30		FEEDMO
CC1(C)[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000603117812	568063667	/nfs/dbraw/zinc/06/36/67/568063667.db2.gz	PMTZBQWCMNBCKF-MSOLQXFVSA-N	1	1	353.466	2.471	20	30		FEEDMO
C=C(C)C[N@@H+](CC)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000603781689	568166779	/nfs/dbraw/zinc/16/67/79/568166779.db2.gz	QFBJCXFGKBFSFG-UHFFFAOYSA-N	1	1	368.455	2.466	20	30		FEEDMO
C=C(C)C[N@H+](CC)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000603781689	568166780	/nfs/dbraw/zinc/16/67/80/568166780.db2.gz	QFBJCXFGKBFSFG-UHFFFAOYSA-N	1	1	368.455	2.466	20	30		FEEDMO
CCc1cc(NC[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)nc(C)[nH+]1	ZINC000328605672	571134468	/nfs/dbraw/zinc/13/44/68/571134468.db2.gz	ORKNJRRCCFVLRN-AWEZNQCLSA-N	1	1	356.474	2.931	20	30		FEEDMO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@H+](CC)C1CC1	ZINC000735419914	598304979	/nfs/dbraw/zinc/30/49/79/598304979.db2.gz	JYPNLEFFSRMXNE-UHFFFAOYSA-N	1	1	369.473	2.049	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C1	ZINC000557599264	674456780	/nfs/dbraw/zinc/45/67/80/674456780.db2.gz	AWONLYGDTSLLNX-CQSZACIVSA-N	1	1	351.447	2.050	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1	ZINC000559098346	674528170	/nfs/dbraw/zinc/52/81/70/674528170.db2.gz	VPVQGJZISGKTBT-UHFFFAOYSA-N	1	1	350.484	2.251	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCCN(S(=O)(=O)C3CC3)CC2)cc1	ZINC000559098346	674528172	/nfs/dbraw/zinc/52/81/72/674528172.db2.gz	VPVQGJZISGKTBT-UHFFFAOYSA-N	1	1	350.484	2.251	20	30		FEEDMO
CN1CC[NH+](CCOc2ccc(NCc3nc(C#N)cs3)cc2)CC1	ZINC000810147696	674534855	/nfs/dbraw/zinc/53/48/55/674534855.db2.gz	PACAIIYCIICVBL-UHFFFAOYSA-N	1	1	357.483	2.253	20	30		FEEDMO
N#Cc1ccccc1N1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1	ZINC000822842517	607063305	/nfs/dbraw/zinc/06/33/05/607063305.db2.gz	MCPQKNVLHDBGDG-UHFFFAOYSA-N	1	1	363.400	2.200	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCC(=O)NC2(C#N)CCCCC2)C1	ZINC000811445992	674604522	/nfs/dbraw/zinc/60/45/22/674604522.db2.gz	BOCJVUVLWUPCDF-GOSISDBHSA-N	1	1	353.438	2.085	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000560863224	674622392	/nfs/dbraw/zinc/62/23/92/674622392.db2.gz	AXAYSPGDELIZRO-UHFFFAOYSA-N	1	1	367.203	2.075	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000815203970	674929987	/nfs/dbraw/zinc/92/99/87/674929987.db2.gz	PCLXSNXLIIKMNM-CVEARBPZSA-N	1	1	351.491	2.400	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2csc(C)c2)C[C@@H]1O	ZINC001047561414	674960805	/nfs/dbraw/zinc/96/08/05/674960805.db2.gz	IYXHMMNNZANLIK-XSLAGTTESA-N	1	1	364.511	2.041	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1c1nc(C#N)c(Cl)s1	ZINC001048586728	675011353	/nfs/dbraw/zinc/01/13/53/675011353.db2.gz	BAPKTWRZYQGLCT-CYZMBNFOSA-N	1	1	367.906	2.236	20	30		FEEDMO
C=CC[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000066561133	670443978	/nfs/dbraw/zinc/44/39/78/670443978.db2.gz	YNBXSANNUVCTEG-MRXNPFEDSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CC[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1	ZINC000066561133	670443982	/nfs/dbraw/zinc/44/39/82/670443982.db2.gz	YNBXSANNUVCTEG-MRXNPFEDSA-N	1	1	372.531	2.309	20	30		FEEDMO
CC(C)(O)C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCOCC1	ZINC000565281419	675108028	/nfs/dbraw/zinc/10/80/28/675108028.db2.gz	ZNGQCTIAFQSTAD-UHFFFAOYSA-N	1	1	351.472	2.200	20	30		FEEDMO
CC1(C)C[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCS1	ZINC000083630728	670659752	/nfs/dbraw/zinc/65/97/52/670659752.db2.gz	ZHCKRXFCSPEFKV-UHFFFAOYSA-N	1	1	358.467	2.107	20	30		FEEDMO
CC1(C)C[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCS1	ZINC000083630728	670659755	/nfs/dbraw/zinc/65/97/55/670659755.db2.gz	ZHCKRXFCSPEFKV-UHFFFAOYSA-N	1	1	358.467	2.107	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000570955800	670792666	/nfs/dbraw/zinc/79/26/66/670792666.db2.gz	HWQMXJXFDBQOTF-SFHVURJKSA-N	1	1	363.527	2.290	20	30		FEEDMO
N#CCC1(CS(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1	ZINC000573882564	671176375	/nfs/dbraw/zinc/17/63/75/671176375.db2.gz	MMZWEPDBFZEJDC-OAHLLOKOSA-N	1	1	351.472	2.420	20	30		FEEDMO
CC[C@](C)(C#N)C(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000579264241	671723370	/nfs/dbraw/zinc/72/33/70/671723370.db2.gz	DIBFJCMSVAGIAB-JTDSTZFVSA-N	1	1	351.491	2.043	20	30		FEEDMO
CC[C@](C)(C#N)C(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000579264241	671723372	/nfs/dbraw/zinc/72/33/72/671723372.db2.gz	DIBFJCMSVAGIAB-JTDSTZFVSA-N	1	1	351.491	2.043	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c(C(F)(F)F)c1	ZINC000579656187	671750773	/nfs/dbraw/zinc/75/07/73/671750773.db2.gz	DEEXFKXKSASQCW-GFCCVEGCSA-N	1	1	361.389	2.078	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c(C(F)(F)F)c1	ZINC000579656187	671750774	/nfs/dbraw/zinc/75/07/74/671750774.db2.gz	DEEXFKXKSASQCW-GFCCVEGCSA-N	1	1	361.389	2.078	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)NCC2(CC#N)CC2)c2cccs2)CC1	ZINC000580025907	671777276	/nfs/dbraw/zinc/77/72/76/671777276.db2.gz	ZJJVEBVKWNOPMJ-OAHLLOKOSA-N	1	1	361.515	2.030	20	30		FEEDMO
COCC[N@@H+]1[C@H](C)CN(CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000129329835	672060908	/nfs/dbraw/zinc/06/09/08/672060908.db2.gz	MWKSYCSCCOFBDF-OKILXGFUSA-N	1	1	364.877	2.191	20	30		FEEDMO
CC(C)(C)[N@@H+](CCC(=O)Nc1sccc1C#N)CCS(C)(=O)=O	ZINC000131593398	672090038	/nfs/dbraw/zinc/09/00/38/672090038.db2.gz	YATWNYZAUZMTFC-UHFFFAOYSA-N	1	1	357.501	2.093	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)C2CCC(F)(F)CC2)CC1	ZINC000583923546	672139653	/nfs/dbraw/zinc/13/96/53/672139653.db2.gz	UKFLLVWBVONQFV-INIZCTEOSA-N	1	1	356.461	2.188	20	30		FEEDMO
N#CC1(CS(=O)(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1	ZINC000584689343	672205940	/nfs/dbraw/zinc/20/59/40/672205940.db2.gz	JDPQNJTVGCDCGV-MSOLQXFVSA-N	1	1	359.495	2.074	20	30		FEEDMO
C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCO1	ZINC000610901859	676004741	/nfs/dbraw/zinc/00/47/41/676004741.db2.gz	IQJKIAUNICOBPK-QMTHXVAHSA-N	1	1	356.348	2.418	20	30		FEEDMO
C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000610901859	676004742	/nfs/dbraw/zinc/00/47/42/676004742.db2.gz	IQJKIAUNICOBPK-QMTHXVAHSA-N	1	1	356.348	2.418	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)c1ccc(F)cc1	ZINC000588138363	672452621	/nfs/dbraw/zinc/45/26/21/672452621.db2.gz	ZRHPDQJXEXBDIE-GOSISDBHSA-N	1	1	361.442	2.473	20	30		FEEDMO
COc1cc(CON=C(N)C[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F	ZINC000183964644	672486764	/nfs/dbraw/zinc/48/67/64/672486764.db2.gz	VWEKNTLPSVATDI-LLVKDONJSA-N	1	1	354.382	2.406	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Br)cc2C#N)C1	ZINC000590633204	672598168	/nfs/dbraw/zinc/59/81/68/672598168.db2.gz	ARLUOJGUAGXNFR-CQSZACIVSA-N	1	1	366.259	2.161	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@H](C)[N@H+]1CCO	ZINC000590873019	672628091	/nfs/dbraw/zinc/62/80/91/672628091.db2.gz	KWSBZRPWSDJZRR-PHIMTYICSA-N	1	1	356.253	2.392	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2c(Cl)cc(C#N)cc2Cl)C[C@H](C)[N@@H+]1CCO	ZINC000590873019	672628092	/nfs/dbraw/zinc/62/80/92/672628092.db2.gz	KWSBZRPWSDJZRR-PHIMTYICSA-N	1	1	356.253	2.392	20	30		FEEDMO
C[N@@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000592089482	672752808	/nfs/dbraw/zinc/75/28/08/672752808.db2.gz	VTSCFGMGZFXEEZ-MJGOQNOKSA-N	1	1	355.463	2.182	20	30		FEEDMO
C=C(Br)CNC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000246504841	672838061	/nfs/dbraw/zinc/83/80/61/672838061.db2.gz	ULACSXVGPJQZLR-MGPQQGTHSA-N	1	1	360.296	2.178	20	30		FEEDMO
N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000593455471	672926060	/nfs/dbraw/zinc/92/60/60/672926060.db2.gz	ULHMMJZKBBVOMR-MRXNPFEDSA-N	1	1	362.271	2.464	20	30		FEEDMO
N#Cc1sccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000593565838	672945229	/nfs/dbraw/zinc/94/52/29/672945229.db2.gz	AEGKELUHWHHBCO-JSGCOSHPSA-N	1	1	351.497	2.257	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)Cc3ccc(Br)cc3C#N)[C@@H]2C1	ZINC000593589995	672952563	/nfs/dbraw/zinc/95/25/63/672952563.db2.gz	WPPPFVDUKIDWQG-BLLLJJGKSA-N	1	1	362.271	2.416	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1	ZINC000281521544	672968307	/nfs/dbraw/zinc/96/83/07/672968307.db2.gz	VNCWACUNOLMHFQ-FMKPAKJESA-N	1	1	363.483	2.082	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1	ZINC000281521544	672968308	/nfs/dbraw/zinc/96/83/08/672968308.db2.gz	VNCWACUNOLMHFQ-FMKPAKJESA-N	1	1	363.483	2.082	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2	ZINC000594034847	673023928	/nfs/dbraw/zinc/02/39/28/673023928.db2.gz	KSCJRUHXAKZWEQ-NSHDSACASA-N	1	1	351.353	2.391	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2	ZINC000594034847	673023933	/nfs/dbraw/zinc/02/39/33/673023933.db2.gz	KSCJRUHXAKZWEQ-NSHDSACASA-N	1	1	351.353	2.391	20	30		FEEDMO
CO[C@H]1C[C@@H](C(N)=O)N(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1	ZINC000329045227	673071355	/nfs/dbraw/zinc/07/13/55/673071355.db2.gz	JGLSVWALSDQBMY-VRKREXBASA-N	1	1	352.479	2.178	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCc2nccs2)CC1	ZINC000329125963	673072316	/nfs/dbraw/zinc/07/23/16/673072316.db2.gz	TYTRIEDDBVNZRM-GASCZTMLSA-N	1	1	351.520	2.048	20	30		FEEDMO
C[N@@H+](CCNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1)C1CC1	ZINC000329404144	673076452	/nfs/dbraw/zinc/07/64/52/673076452.db2.gz	BJIVRSMDGPWZDJ-UHFFFAOYSA-N	1	1	364.877	2.106	20	30		FEEDMO
CC(C)C[C@@H]1CCCCC[N@H+]1CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000329516636	673078807	/nfs/dbraw/zinc/07/88/07/673078807.db2.gz	MUZOTGPCOMIVGQ-GJZGRUSLSA-N	1	1	373.519	2.335	20	30		FEEDMO
CC(C)C[C@@H]1CCCCC[N@H+]1CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000329516635	673078823	/nfs/dbraw/zinc/07/88/23/673078823.db2.gz	MUZOTGPCOMIVGQ-CABCVRRESA-N	1	1	373.519	2.335	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1nnn(-c2ccccc2Cl)c1C	ZINC000729811784	673249338	/nfs/dbraw/zinc/24/93/38/673249338.db2.gz	CEKYZLCILBBWOK-CQSZACIVSA-N	1	1	358.829	2.484	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1nnn(-c2ccccc2Cl)c1C	ZINC000729811784	673249339	/nfs/dbraw/zinc/24/93/39/673249339.db2.gz	CEKYZLCILBBWOK-CQSZACIVSA-N	1	1	358.829	2.484	20	30		FEEDMO
CCC(CC)[C@@H](CNC(=O)N1CCC[C@@H](CC#N)C1)[NH+]1CCOCC1	ZINC000595447370	673252226	/nfs/dbraw/zinc/25/22/26/673252226.db2.gz	UXXQFWRPRYPQIB-FUHWJXTLSA-N	1	1	350.507	2.459	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000730276198	673268484	/nfs/dbraw/zinc/26/84/84/673268484.db2.gz	HTISOPZUNVDQDA-AWEZNQCLSA-N	1	1	354.376	2.116	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCNc1ccc(C(F)(F)F)cn1	ZINC000730276198	673268486	/nfs/dbraw/zinc/26/84/86/673268486.db2.gz	HTISOPZUNVDQDA-AWEZNQCLSA-N	1	1	354.376	2.116	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000595743180	673287687	/nfs/dbraw/zinc/28/76/87/673287687.db2.gz	QXLLUBYBDOWOMS-FFSVYQOJSA-N	1	1	360.845	2.139	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1	ZINC000595743180	673287692	/nfs/dbraw/zinc/28/76/92/673287692.db2.gz	QXLLUBYBDOWOMS-FFSVYQOJSA-N	1	1	360.845	2.139	20	30		FEEDMO
N#Cc1ccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c(OC(F)F)c1	ZINC000595865159	673331708	/nfs/dbraw/zinc/33/17/08/673331708.db2.gz	FWKOQFCXNKMGKW-INIZCTEOSA-N	1	1	351.397	2.191	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1	ZINC000595911160	673337583	/nfs/dbraw/zinc/33/75/83/673337583.db2.gz	RYJGPCIHVVVCAE-KDURUIRLSA-N	1	1	360.479	2.225	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1	ZINC000595911160	673337586	/nfs/dbraw/zinc/33/75/86/673337586.db2.gz	RYJGPCIHVVVCAE-KDURUIRLSA-N	1	1	360.479	2.225	20	30		FEEDMO
C[N@@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732810991	673383940	/nfs/dbraw/zinc/38/39/40/673383940.db2.gz	QHPUMEWYDVGVAV-HNNXBMFYSA-N	1	1	355.360	2.422	20	30		FEEDMO
C=C(C)COc1cc(C[N@H+]2CCC[C@H]2CS(=O)(=O)NC)ccc1OC	ZINC000537658777	673400104	/nfs/dbraw/zinc/40/01/04/673400104.db2.gz	PEPRDOZUOSINCF-INIZCTEOSA-N	1	1	368.499	2.164	20	30		FEEDMO
C=C(C)COc1cc(C[N@@H+]2CCC[C@H]2CS(=O)(=O)NC)ccc1OC	ZINC000537658777	673400108	/nfs/dbraw/zinc/40/01/08/673400108.db2.gz	PEPRDOZUOSINCF-INIZCTEOSA-N	1	1	368.499	2.164	20	30		FEEDMO
CC(C)(C)OC(=O)CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CCOCC1	ZINC000598624423	673591982	/nfs/dbraw/zinc/59/19/82/673591982.db2.gz	HCJSJEZAMBHEHQ-MRXNPFEDSA-N	1	1	354.491	2.500	20	30		FEEDMO
N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)CCOCC1	ZINC000599297625	673655599	/nfs/dbraw/zinc/65/55/99/673655599.db2.gz	NYZQYEJGNVZIBY-ZIAGYGMSSA-N	1	1	350.381	2.101	20	30		FEEDMO
CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1	ZINC000600214181	673749675	/nfs/dbraw/zinc/74/96/75/673749675.db2.gz	SPEZZQOAPOMXFF-QGZVFWFLSA-N	1	1	365.499	2.130	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](CN2C(=O)C[C@H]2c2ccc(Cl)cc2)CC1	ZINC000743356862	673756523	/nfs/dbraw/zinc/75/65/23/673756523.db2.gz	PWQDKYDLKAMKMG-KRWDZBQOSA-N	1	1	359.857	2.032	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=C1CCc2cc(Cl)ccc21	ZINC000743424489	673759465	/nfs/dbraw/zinc/75/94/65/673759465.db2.gz	LMRSFZIKIPJHJO-UHFFFAOYSA-N	1	1	366.918	2.177	20	30		FEEDMO
C[N@@H+](CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1)[C@@H]1CCSC1	ZINC000600478911	673772369	/nfs/dbraw/zinc/77/23/69/673772369.db2.gz	YXXZEAXTFUXWFM-QGZVFWFLSA-N	1	1	359.495	2.117	20	30		FEEDMO
N#Cc1c(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc2n1CCS2	ZINC000602260628	673903866	/nfs/dbraw/zinc/90/38/66/673903866.db2.gz	MUYOWXXAPVLXFL-AWEZNQCLSA-N	1	1	353.451	2.321	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603279557	673921527	/nfs/dbraw/zinc/92/15/27/673921527.db2.gz	FOYSPVGKIPSMNP-ZNMIVQPWSA-N	1	1	364.515	2.125	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNCCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000548908173	674005509	/nfs/dbraw/zinc/00/55/09/674005509.db2.gz	CJBBKKZNHWBDIT-CALCHBBNSA-N	1	1	363.527	2.290	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819256198	675274463	/nfs/dbraw/zinc/27/44/63/675274463.db2.gz	JVKHNBYRLMQVTG-GJZGRUSLSA-N	1	1	352.479	2.032	20	30		FEEDMO
N#Cc1cncnc1NCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000567752117	675318673	/nfs/dbraw/zinc/31/86/73/675318673.db2.gz	YOLMFWIXBYNNTE-UHFFFAOYSA-N	1	1	356.861	2.048	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cnn(C(C)(C)C)c2Br)CC1	ZINC000826698345	675700748	/nfs/dbraw/zinc/70/07/48/675700748.db2.gz	BBXAMGAIKBTLAG-UHFFFAOYSA-N	1	1	368.279	2.118	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(c2[nH]cc[nH+]2)CC1	ZINC000618903234	676356076	/nfs/dbraw/zinc/35/60/76/676356076.db2.gz	DQJRJPXWZMJXAB-GFCCVEGCSA-N	1	1	358.833	2.084	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+](CCO)[C@@H]3CCCSC3)C2=O)cc1	ZINC000619569056	676385392	/nfs/dbraw/zinc/38/53/92/676385392.db2.gz	FVELGEGARWUOAQ-MSOLQXFVSA-N	1	1	359.495	2.244	20	30		FEEDMO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC[N@@H+]1CC[C@H](O)C1	ZINC000629913622	676874601	/nfs/dbraw/zinc/87/46/01/676874601.db2.gz	LWZGQLFRIZGLIW-ZDUSSCGKSA-N	1	1	358.360	2.067	20	30		FEEDMO
C[C@](O)(C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccc(Br)cc1F	ZINC000829999182	677021055	/nfs/dbraw/zinc/02/10/55/677021055.db2.gz	YBNNYCWSLJGNJJ-GJZGRUSLSA-N	1	1	357.223	2.146	20	30		FEEDMO
C#CCNS(=O)(=O)N1CC[NH+]([C@H](C)c2ccc(C(C)(C)C)cc2)CC1	ZINC000761036742	680708234	/nfs/dbraw/zinc/70/82/34/680708234.db2.gz	IOKYJIANADVZNF-MRXNPFEDSA-N	1	1	363.527	2.130	20	30		FEEDMO
C[C@@H](CCC#N)[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000839476216	680754967	/nfs/dbraw/zinc/75/49/67/680754967.db2.gz	BKPCMXYZBGVGDP-LSDHHAIUSA-N	1	1	352.479	2.032	20	30		FEEDMO
C=CC[N@@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000839516010	680758503	/nfs/dbraw/zinc/75/85/03/680758503.db2.gz	FIMBMIAJWRJBFJ-CVEARBPZSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CC[N@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000839516010	680758505	/nfs/dbraw/zinc/75/85/05/680758505.db2.gz	FIMBMIAJWRJBFJ-CVEARBPZSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CCC1(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCCC1	ZINC000663914981	678808261	/nfs/dbraw/zinc/80/82/61/678808261.db2.gz	CNRQJTZWZJEIKC-MRXNPFEDSA-N	1	1	350.507	2.117	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCS[C@H](C)[C@@H]1C	ZINC000669033436	679216154	/nfs/dbraw/zinc/21/61/54/679216154.db2.gz	PFODKHGYHDRCMY-JJXSEGSLSA-N	1	1	363.531	2.330	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cc2C)CC1	ZINC000747818589	679905321	/nfs/dbraw/zinc/90/53/21/679905321.db2.gz	WATMDTQRWDRLBH-CQSZACIVSA-N	1	1	361.873	2.437	20	30		FEEDMO
CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1	ZINC000748318221	679951639	/nfs/dbraw/zinc/95/16/39/679951639.db2.gz	NYYJISWWJJAECW-DLBZAZTESA-N	1	1	350.507	2.155	20	30		FEEDMO
CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1	ZINC000748318223	679951805	/nfs/dbraw/zinc/95/18/05/679951805.db2.gz	NYYJISWWJJAECW-IAGOWNOFSA-N	1	1	350.507	2.155	20	30		FEEDMO
C[C@H](C=NNC(=S)NCCC[NH+]1CCOCC1)CCc1ccccc1	ZINC000749156819	680023974	/nfs/dbraw/zinc/02/39/74/680023974.db2.gz	PNKQBHIYUKBRGZ-KRWDZBQOSA-N	1	1	362.543	2.428	20	30		FEEDMO
O=C(N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001015730521	680051394	/nfs/dbraw/zinc/05/13/94/680051394.db2.gz	WZZSUPZJMQHTHS-MANSERQUSA-N	1	1	358.869	2.450	20	30		FEEDMO
O=C(N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001015730521	680051402	/nfs/dbraw/zinc/05/14/02/680051402.db2.gz	WZZSUPZJMQHTHS-MANSERQUSA-N	1	1	358.869	2.450	20	30		FEEDMO
O=C(N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001015730522	680051452	/nfs/dbraw/zinc/05/14/52/680051452.db2.gz	WZZSUPZJMQHTHS-MKXGPGLRSA-N	1	1	358.869	2.450	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001015730522	680051456	/nfs/dbraw/zinc/05/14/56/680051456.db2.gz	WZZSUPZJMQHTHS-MKXGPGLRSA-N	1	1	358.869	2.450	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(C(C)C)ns2)C1	ZINC001018862612	680083956	/nfs/dbraw/zinc/08/39/56/680083956.db2.gz	FHXDHXQLSUNLNK-ZNMIVQPWSA-N	1	1	364.515	2.333	20	30		FEEDMO
N#Cc1ccsc1NC(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1	ZINC000874154832	685308443	/nfs/dbraw/zinc/30/84/43/685308443.db2.gz	NDESWIHWMBLWSU-OAHLLOKOSA-N	1	1	360.483	2.472	20	30		FEEDMO
C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3OCC[C@H]3CC)[C@@H]2C1	ZINC000978309985	680172188	/nfs/dbraw/zinc/17/21/88/680172188.db2.gz	SCZWHMKQAUGIGM-ZSAUSMIDSA-N	1	1	357.292	2.004	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C	ZINC000752084838	680222592	/nfs/dbraw/zinc/22/25/92/680222592.db2.gz	XUVBLHOHWRBEBY-JKSUJKDBSA-N	1	1	351.491	2.422	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CCc2ccns2)C1	ZINC001023643294	680268657	/nfs/dbraw/zinc/26/86/57/680268657.db2.gz	TYWSUSCRPCVQBD-NJAFHUGGSA-N	1	1	363.527	2.495	20	30		FEEDMO
C=C(Br)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3OCC[C@H]3C)C[C@@]2(C)C1	ZINC000982571974	680281398	/nfs/dbraw/zinc/28/13/98/680281398.db2.gz	XVTROISZVKYJFL-UOJCXKCYSA-N	1	1	371.319	2.490	20	30		FEEDMO
C=C(Br)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3OCC[C@H]3C)C[C@@]2(C)C1	ZINC000982571974	680281402	/nfs/dbraw/zinc/28/14/02/680281402.db2.gz	XVTROISZVKYJFL-UOJCXKCYSA-N	1	1	371.319	2.490	20	30		FEEDMO
CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(F)c(I)c1	ZINC000834971709	680285472	/nfs/dbraw/zinc/28/54/72/680285472.db2.gz	YMDTWBGUNOAPHD-SSDOTTSWSA-N	1	1	360.174	2.092	20	30		FEEDMO
COc1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c(Br)cc1O	ZINC000753933873	680324894	/nfs/dbraw/zinc/32/48/94/680324894.db2.gz	DLXZRYWKKMDMHV-RYUDHWBXSA-N	1	1	367.247	2.357	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCCC(F)(F)C3)C[C@H]21	ZINC001026056994	680340678	/nfs/dbraw/zinc/34/06/78/680340678.db2.gz	OLWUBXIAAPAQKS-QROFKTNTSA-N	1	1	354.441	2.449	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001027417401	680356331	/nfs/dbraw/zinc/35/63/31/680356331.db2.gz	XPJIHWTVWLKORL-IIDMSEBBSA-N	1	1	360.527	2.383	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(C)Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC001027417401	680356336	/nfs/dbraw/zinc/35/63/36/680356336.db2.gz	XPJIHWTVWLKORL-IIDMSEBBSA-N	1	1	360.527	2.383	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2OCC[C@H]2C(C)C)C1	ZINC001028543136	680372396	/nfs/dbraw/zinc/37/23/96/680372396.db2.gz	KGJLRZCZRWEUGI-KKUMJFAQSA-N	1	1	359.308	2.394	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2OCC[C@H]2C(C)C)C1	ZINC001028543136	680372400	/nfs/dbraw/zinc/37/24/00/680372400.db2.gz	KGJLRZCZRWEUGI-KKUMJFAQSA-N	1	1	359.308	2.394	20	30		FEEDMO
C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC000998067509	680374286	/nfs/dbraw/zinc/37/42/86/680374286.db2.gz	VHGYSXBPWHFEJT-CADBVGFASA-N	1	1	350.503	2.317	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001028552568	680375691	/nfs/dbraw/zinc/37/56/91/680375691.db2.gz	QHSGVMKXNASANO-JCGIZDLHSA-N	1	1	360.527	2.288	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC001028552568	680375696	/nfs/dbraw/zinc/37/56/96/680375696.db2.gz	QHSGVMKXNASANO-JCGIZDLHSA-N	1	1	360.527	2.288	20	30		FEEDMO
C=C(Br)CN1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC001033837896	680425677	/nfs/dbraw/zinc/42/56/77/680425677.db2.gz	KQXWSQDIVQXEAJ-RBSFLKMASA-N	1	1	358.324	2.158	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCC1CCOCC1	ZINC001038800952	680461264	/nfs/dbraw/zinc/46/12/64/680461264.db2.gz	VXABUDCKIPEHRG-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H]2CC[N@H+](CCOC)C2)CC1	ZINC001039160086	680462715	/nfs/dbraw/zinc/46/27/15/680462715.db2.gz	HAYRGCJHXKRHHL-FHWLQOOXSA-N	1	1	350.503	2.175	20	30		FEEDMO
Cc1nsc(N[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C)c1C#N	ZINC001043326282	680574267	/nfs/dbraw/zinc/57/42/67/680574267.db2.gz	CZNUAFMQBQDYNJ-DAXOMENPSA-N	1	1	361.515	2.455	20	30		FEEDMO
C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2nc(C#N)c(Cl)s2)C1	ZINC001045497722	680632105	/nfs/dbraw/zinc/63/21/05/680632105.db2.gz	IGBLHAQYMJRQOD-IJLUTSLNSA-N	1	1	367.906	2.459	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1	ZINC001007478846	680643906	/nfs/dbraw/zinc/64/39/06/680643906.db2.gz	CUWVIQUDIKFARG-DOXZYTNZSA-N	1	1	367.921	2.214	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](Cc2c(C)nn(C)c2Cl)C1	ZINC001046632102	680651716	/nfs/dbraw/zinc/65/17/16/680651716.db2.gz	RMEWUJAXXZCCHY-XUWXXGDYSA-N	1	1	366.893	2.054	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](Cc2c(C)nn(C)c2Cl)C1	ZINC001046632102	680651717	/nfs/dbraw/zinc/65/17/17/680651717.db2.gz	RMEWUJAXXZCCHY-XUWXXGDYSA-N	1	1	366.893	2.054	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCOC)CCC1(F)F	ZINC001046980290	680656026	/nfs/dbraw/zinc/65/60/26/680656026.db2.gz	KVAQUSZVSSIRNW-PMPSAXMXSA-N	1	1	360.445	2.078	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H](Nc3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001047066253	680657030	/nfs/dbraw/zinc/65/70/30/680657030.db2.gz	ZSDMZUOSPVGQGU-DDHJBXDOSA-N	1	1	367.906	2.315	20	30		FEEDMO
C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2nc(C#N)c(Cl)s2)C1	ZINC001047216581	680658551	/nfs/dbraw/zinc/65/85/51/680658551.db2.gz	GLZWDHYTRAFUCI-LOWVWBTDSA-N	1	1	367.906	2.459	20	30		FEEDMO
C#CCCN(CC(F)(F)F)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000767204094	680902576	/nfs/dbraw/zinc/90/25/76/680902576.db2.gz	MJZFZCRAHRYDDH-INIZCTEOSA-N	1	1	354.372	2.302	20	30		FEEDMO
C#CCCN(CC(F)(F)F)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000767204094	680902578	/nfs/dbraw/zinc/90/25/78/680902578.db2.gz	MJZFZCRAHRYDDH-INIZCTEOSA-N	1	1	354.372	2.302	20	30		FEEDMO
CC(=NNc1cc[nH+]cc1)c1cc2c(cc1Br)NC(=O)CO2	ZINC000767386880	680909969	/nfs/dbraw/zinc/90/99/69/680909969.db2.gz	WXUIICJDNAYBSM-UHFFFAOYSA-N	1	1	361.199	2.433	20	30		FEEDMO
C[C@H]1C(=NNC(=S)NCCC[NH+]2CCOCC2)C[C@@H]1c1ccccc1	ZINC000767755946	680925101	/nfs/dbraw/zinc/92/51/01/680925101.db2.gz	WTJCNLTXDMSISB-WBVHZDCISA-N	1	1	360.527	2.352	20	30		FEEDMO
C=CCn1c(CC(F)(F)F)nnc1N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1	ZINC000842946739	680976675	/nfs/dbraw/zinc/97/66/75/680976675.db2.gz	WZOSKQFMTLMFOG-BETUJISGSA-N	1	1	361.412	2.114	20	30		FEEDMO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)C1(S(=O)(=O)c2ccccc2)CC1	ZINC000770800943	681027819	/nfs/dbraw/zinc/02/78/19/681027819.db2.gz	DNYOFAIRUUBZEQ-MRXNPFEDSA-N	1	1	363.479	2.270	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)NCC2CC(Nc3snc(C)c3C#N)C2)CC[N@H+]1C	ZINC001052120104	681071544	/nfs/dbraw/zinc/07/15/44/681071544.db2.gz	RSIKKDNYEVJEPR-VKJZCYHPSA-N	1	1	361.515	2.360	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NCC2CC(Nc3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001052124921	681071783	/nfs/dbraw/zinc/07/17/83/681071783.db2.gz	ZSDMZUOSPVGQGU-HBIQZDMRSA-N	1	1	367.906	2.315	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(C[NH+](CCC(C)(C)C)C2)C1	ZINC001053469099	681098766	/nfs/dbraw/zinc/09/87/66/681098766.db2.gz	HEJZDNJOTFDZTD-IRXDYDNUSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCOC2(C[NH+](CC(CC)CC)C2)C1	ZINC001053469285	681098802	/nfs/dbraw/zinc/09/88/02/681098802.db2.gz	JQFRFFIKLLSLAQ-ROUUACIJSA-N	1	1	350.503	2.317	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNc1ncc(C#N)cc1Cl	ZINC001054408565	681107552	/nfs/dbraw/zinc/10/75/52/681107552.db2.gz	MYFHDCYOUHEHDE-BPLDGKMQSA-N	1	1	361.877	2.065	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001058573277	681172827	/nfs/dbraw/zinc/17/28/27/681172827.db2.gz	HZCIDSVJRIZCKM-SDDRHHMPSA-N	1	1	367.906	2.093	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001059853889	681186607	/nfs/dbraw/zinc/18/66/07/681186607.db2.gz	NYPCQJQBFQPYBM-CHWFTXMASA-N	1	1	353.879	2.067	20	30		FEEDMO
C#CCCCNC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](CC)CC	ZINC000774916739	681250416	/nfs/dbraw/zinc/25/04/16/681250416.db2.gz	DBZPDVZWCYPWNP-KRWDZBQOSA-N	1	1	363.889	2.369	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@H](C)COC)C[C@H]2CC1	ZINC000946818379	681261760	/nfs/dbraw/zinc/26/17/60/681261760.db2.gz	JCJLVPKYQYWBEG-GFEQUFNTSA-N	1	1	350.503	2.173	20	30		FEEDMO
C#C[C@H]([NH2+][C@H](C)C(=O)Nc1sc(C)cc1C(=O)OCC)[C@H]1CCCO1	ZINC000775791272	681335340	/nfs/dbraw/zinc/33/53/40/681335340.db2.gz	LOSITBQMXJMFPQ-VHDGCEQUSA-N	1	1	364.467	2.331	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)[C@H]1CCCO1	ZINC000775792756	681335726	/nfs/dbraw/zinc/33/57/26/681335726.db2.gz	ADVQXHZNJKOIEL-DZGCQCFKSA-N	1	1	351.244	2.466	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)[C@H]1CCCO1	ZINC000775792072	681335743	/nfs/dbraw/zinc/33/57/43/681335743.db2.gz	PVKFEJOXEUNXIM-UONOGXRCSA-N	1	1	364.467	2.251	20	30		FEEDMO
C#Cc1ccc(NC(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c(Cl)c1	ZINC000933366386	681400149	/nfs/dbraw/zinc/40/01/49/681400149.db2.gz	FPLIVYCXBBMVPW-CYBMUJFWSA-N	1	1	363.845	2.422	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933717592	681457321	/nfs/dbraw/zinc/45/73/21/681457321.db2.gz	DJLINYHCSKNTAV-ZDUSSCGKSA-N	1	1	354.376	2.485	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933717592	681457325	/nfs/dbraw/zinc/45/73/25/681457325.db2.gz	DJLINYHCSKNTAV-ZDUSSCGKSA-N	1	1	354.376	2.485	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC2CCOCC2)CC1	ZINC000948789293	681598986	/nfs/dbraw/zinc/59/89/86/681598986.db2.gz	KYNKHXAABPQKFQ-OTWHNJEPSA-N	1	1	350.503	2.317	20	30		FEEDMO
CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1	ZINC000934752914	681622030	/nfs/dbraw/zinc/62/20/30/681622030.db2.gz	DZFDBIREMPNWDX-XMMPIXPASA-N	1	1	352.479	2.484	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000950779792	681707278	/nfs/dbraw/zinc/70/72/78/681707278.db2.gz	BMPLTZVENRJRLA-YNEHKIRRSA-N	1	1	350.850	2.009	20	30		FEEDMO
C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C#N)c(Br)c1	ZINC000913533768	685479366	/nfs/dbraw/zinc/47/93/66/685479366.db2.gz	XOKQKUMQVOZWCT-BETUJISGSA-N	1	1	364.243	2.005	20	30		FEEDMO
C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc(C#N)c(Br)c1	ZINC000913533768	685479367	/nfs/dbraw/zinc/47/93/67/685479367.db2.gz	XOKQKUMQVOZWCT-BETUJISGSA-N	1	1	364.243	2.005	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](C)C[C@H]2CC)c1	ZINC000935775889	681819352	/nfs/dbraw/zinc/81/93/52/681819352.db2.gz	ODFCMUNDLLBBDA-QGZVFWFLSA-N	1	1	362.495	2.040	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[N@H+](C)C[C@H]2CC)c1	ZINC000935775889	681819361	/nfs/dbraw/zinc/81/93/61/681819361.db2.gz	ODFCMUNDLLBBDA-QGZVFWFLSA-N	1	1	362.495	2.040	20	30		FEEDMO
N#Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1	ZINC000852134622	682225397	/nfs/dbraw/zinc/22/53/97/682225397.db2.gz	FQANFFSXRAPNJP-HZPDHXFCSA-N	1	1	351.372	2.443	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)C	ZINC000917167037	685530157	/nfs/dbraw/zinc/53/01/57/685530157.db2.gz	PTXQMBMLQUQCEH-UHFFFAOYSA-N	1	1	373.906	2.425	20	30		FEEDMO
C=CC[N@@H+](CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(C)C	ZINC000917167037	685530158	/nfs/dbraw/zinc/53/01/58/685530158.db2.gz	PTXQMBMLQUQCEH-UHFFFAOYSA-N	1	1	373.906	2.425	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)OC	ZINC000852570926	682302222	/nfs/dbraw/zinc/30/22/22/682302222.db2.gz	XIQJGKFMPAYDIV-CQSZACIVSA-N	1	1	353.488	2.281	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)OC	ZINC000852570926	682302226	/nfs/dbraw/zinc/30/22/26/682302226.db2.gz	XIQJGKFMPAYDIV-CQSZACIVSA-N	1	1	353.488	2.281	20	30		FEEDMO
C#CCC[N@@H+](CCOC)CC(=O)NCc1ccc(F)cc1C(F)(F)F	ZINC000852752191	682335530	/nfs/dbraw/zinc/33/55/30/682335530.db2.gz	QDXHVKPSMOECGG-UHFFFAOYSA-N	1	1	360.351	2.432	20	30		FEEDMO
C#CCC[N@H+](CCOC)CC(=O)NCc1ccc(F)cc1C(F)(F)F	ZINC000852752191	682335534	/nfs/dbraw/zinc/33/55/34/682335534.db2.gz	QDXHVKPSMOECGG-UHFFFAOYSA-N	1	1	360.351	2.432	20	30		FEEDMO
C=C(Cl)CNC(=O)c1sc2c(c1I)C[NH2+]C2	ZINC000852841288	682349345	/nfs/dbraw/zinc/34/93/45/682349345.db2.gz	IRXIAJOHRNFPEC-UHFFFAOYSA-N	1	1	368.627	2.438	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1nn(C(C)(C)C)cc1Br	ZINC000854663227	682577019	/nfs/dbraw/zinc/57/70/19/682577019.db2.gz	ZTYSBRKATLDCQM-UHFFFAOYSA-N	1	1	355.280	2.086	20	30		FEEDMO
C=CCCCNC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000790517084	682683081	/nfs/dbraw/zinc/68/30/81/682683081.db2.gz	AKWGMXLYJUYMMR-UHFFFAOYSA-N	1	1	354.495	2.195	20	30		FEEDMO
CC(C)N(CCC#N)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000792117933	682789875	/nfs/dbraw/zinc/78/98/75/682789875.db2.gz	HDRRVSOTYYKRGK-UHFFFAOYSA-N	1	1	352.479	2.080	20	30		FEEDMO
COc1ccc(C=NNCCC[NH+]2CCOCC2)c(Br)c1	ZINC000794938663	683004739	/nfs/dbraw/zinc/00/47/39/683004739.db2.gz	SLGCTWXOJFPXBH-UHFFFAOYSA-N	1	1	356.264	2.104	20	30		FEEDMO
C=CCCOCCCCC(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000926167587	683087174	/nfs/dbraw/zinc/08/71/74/683087174.db2.gz	TXEPEFFSNSTEDU-IZBJGVDFSA-N	1	1	352.519	2.345	20	30		FEEDMO
C=CCn1nnn(CN2CCC[N@H+](Cc3ccccc3C)CC2)c1=S	ZINC000919940779	683308361	/nfs/dbraw/zinc/30/83/61/683308361.db2.gz	NHNYWVDNFVKOGX-UHFFFAOYSA-N	1	1	358.515	2.469	20	30		FEEDMO
C[C@H]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2Br)CS1(=O)=O	ZINC000922246226	683687250	/nfs/dbraw/zinc/68/72/50/683687250.db2.gz	KAKZCTWOVROCLY-GXFFZTMASA-N	1	1	357.273	2.376	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1=O	ZINC000930310507	683709378	/nfs/dbraw/zinc/70/93/78/683709378.db2.gz	HCFCTEFJBCFCSK-OWCLPIDISA-N	1	1	351.491	2.399	20	30		FEEDMO
C[N@H+](C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)CC(C)(C)C#N	ZINC000930567116	683753884	/nfs/dbraw/zinc/75/38/84/683753884.db2.gz	DYLTZNGYGOSNAJ-ZDUSSCGKSA-N	1	1	351.447	2.021	20	30		FEEDMO
C[N@@H+](C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)CC(C)(C)C#N	ZINC000930567116	683753887	/nfs/dbraw/zinc/75/38/87/683753887.db2.gz	DYLTZNGYGOSNAJ-ZDUSSCGKSA-N	1	1	351.447	2.021	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1	ZINC000931151089	683842488	/nfs/dbraw/zinc/84/24/88/683842488.db2.gz	FKEZEIRISSBEJG-OAHLLOKOSA-N	1	1	363.255	2.163	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cc(F)cc(C#N)c2)C1	ZINC000866903282	684178050	/nfs/dbraw/zinc/17/80/50/684178050.db2.gz	JSBYQUKKVBJIIG-CQSZACIVSA-N	1	1	351.447	2.050	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2c[nH]c3ncc(Br)cc23)C1	ZINC000923560787	684306245	/nfs/dbraw/zinc/30/62/45/684306245.db2.gz	IFKRPEBPCQVPFU-LBPRGKRZSA-N	1	1	361.243	2.153	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c3ncc(Br)cc23)C1	ZINC000923560787	684306249	/nfs/dbraw/zinc/30/62/49/684306249.db2.gz	IFKRPEBPCQVPFU-LBPRGKRZSA-N	1	1	361.243	2.153	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)CSCc2cn3cc(C)ccc3n2)C1	ZINC000923590119	684309748	/nfs/dbraw/zinc/30/97/48/684309748.db2.gz	QROJCADCJDCLBB-INIZCTEOSA-N	1	1	356.495	2.090	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)CSCc2cn3cc(C)ccc3n2)C1	ZINC000923590119	684309752	/nfs/dbraw/zinc/30/97/52/684309752.db2.gz	QROJCADCJDCLBB-INIZCTEOSA-N	1	1	356.495	2.090	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C2OCCO2)C1	ZINC000932003597	684387094	/nfs/dbraw/zinc/38/70/94/684387094.db2.gz	WRXKTQZTDKQVNO-GJZGRUSLSA-N	1	1	350.484	2.346	20	30		FEEDMO
C=C(C)C[NH+]1CCC(N[C@H]2COCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000924989935	684513669	/nfs/dbraw/zinc/51/36/69/684513669.db2.gz	VYHSBJIOXYVRLY-QGZVFWFLSA-N	1	1	353.507	2.252	20	30		FEEDMO
C=CCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1	ZINC000872296738	684935760	/nfs/dbraw/zinc/93/57/60/684935760.db2.gz	YQXHPNUXSDMAHZ-ZNMIVQPWSA-N	1	1	351.447	2.077	20	30		FEEDMO
Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)Nc2nc(Cl)c(C#N)s2)cn1	ZINC000875681762	686063592	/nfs/dbraw/zinc/06/35/92/686063592.db2.gz	KDELKDYWJUYJQI-MNOVXSKESA-N	1	1	364.862	2.076	20	30		FEEDMO
CCOC(=O)[C@]1(COC)CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1	ZINC000877500319	686392691	/nfs/dbraw/zinc/39/26/91/686392691.db2.gz	FDTAQODOSZZYGU-QGZVFWFLSA-N	1	1	351.834	2.398	20	30		FEEDMO
CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1	ZINC000877500319	686392693	/nfs/dbraw/zinc/39/26/93/686392693.db2.gz	FDTAQODOSZZYGU-QGZVFWFLSA-N	1	1	351.834	2.398	20	30		FEEDMO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C1	ZINC000877608214	686421861	/nfs/dbraw/zinc/42/18/61/686421861.db2.gz	RMYWAQHXWOZHAP-MRXNPFEDSA-N	1	1	354.376	2.125	20	30		FEEDMO
CN(C[C@H](O)C[N@H+](C)Cc1cccc(C#N)c1F)C(=O)OC(C)(C)C	ZINC000879081666	686733377	/nfs/dbraw/zinc/73/33/77/686733377.db2.gz	MLTYCHNBQMLOPV-OAHLLOKOSA-N	1	1	351.422	2.357	20	30		FEEDMO
CN(C[C@H](O)C[N@@H+](C)Cc1cccc(C#N)c1F)C(=O)OC(C)(C)C	ZINC000879081666	686733381	/nfs/dbraw/zinc/73/33/81/686733381.db2.gz	MLTYCHNBQMLOPV-OAHLLOKOSA-N	1	1	351.422	2.357	20	30		FEEDMO
COCC[N@@H+](CC(=O)Nc1ccccc1SCC#N)C1CCOCC1	ZINC000879708022	686892266	/nfs/dbraw/zinc/89/22/66/686892266.db2.gz	BEEKOAGZUYDYFP-UHFFFAOYSA-N	1	1	363.483	2.368	20	30		FEEDMO
COCC#CC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1	ZINC000880024239	686977307	/nfs/dbraw/zinc/97/73/07/686977307.db2.gz	HIMCKGMYSSKEGF-CHWSQXEVSA-N	1	1	350.381	2.271	20	30		FEEDMO
COCC#CC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1	ZINC000880024239	686977312	/nfs/dbraw/zinc/97/73/12/686977312.db2.gz	HIMCKGMYSSKEGF-CHWSQXEVSA-N	1	1	350.381	2.271	20	30		FEEDMO
C=CCC[C@H](O)C[N@@H+]1C[C@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880221779	687018986	/nfs/dbraw/zinc/01/89/86/687018986.db2.gz	RMLOROALPZYAFR-BXWFABGCSA-N	1	1	354.491	2.414	20	30		FEEDMO
C#CCC1(O)CC[NH+](C[C@H](O)c2ccc(F)c(Br)c2)CC1	ZINC000880481520	687052903	/nfs/dbraw/zinc/05/29/03/687052903.db2.gz	VRMOJIFNGHYZIS-HNNXBMFYSA-N	1	1	356.235	2.472	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(C#N)c(F)cc2F)C1	ZINC000880717029	687078274	/nfs/dbraw/zinc/07/82/74/687078274.db2.gz	YJTDDQLESHUCMB-CYBMUJFWSA-N	1	1	352.385	2.315	20	30		FEEDMO
N#Cc1nc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1Br	ZINC000883079150	687557757	/nfs/dbraw/zinc/55/77/57/687557757.db2.gz	LNYZFAZSTMQVFD-AAEUAGOBSA-N	1	1	364.247	2.464	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CCNC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883092939	687562205	/nfs/dbraw/zinc/56/22/05/687562205.db2.gz	DRIRBJQJDPCOPB-SNVBAGLBSA-N	1	1	352.236	2.322	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(SC)c(C#N)c1	ZINC000884160712	687804471	/nfs/dbraw/zinc/80/44/71/687804471.db2.gz	MEFHYLMNPUJAFE-MRXNPFEDSA-N	1	1	362.499	2.190	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)C1	ZINC000885037960	688002704	/nfs/dbraw/zinc/00/27/04/688002704.db2.gz	CIVDSYPDXBDIJH-GOSISDBHSA-N	1	1	361.511	2.495	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000887970497	688527692	/nfs/dbraw/zinc/52/76/92/688527692.db2.gz	BQBLYUBKYMZGDD-SFHVURJKSA-N	1	1	355.463	2.479	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000887970497	688527696	/nfs/dbraw/zinc/52/76/96/688527696.db2.gz	BQBLYUBKYMZGDD-SFHVURJKSA-N	1	1	355.463	2.479	20	30		FEEDMO
CCN1CC[NH+](CCC(=O)Nc2ccc(Br)c(C#N)c2)CC1	ZINC000887994879	688532845	/nfs/dbraw/zinc/53/28/45/688532845.db2.gz	NLXAORBZXCKRQN-UHFFFAOYSA-N	1	1	365.275	2.287	20	30		FEEDMO
N#Cc1csc(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1	ZINC000892019851	689141394	/nfs/dbraw/zinc/14/13/94/689141394.db2.gz	OMCYKCZFNGRXLW-HNNXBMFYSA-N	1	1	355.467	2.479	20	30		FEEDMO
N#Cc1cc(F)c(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1Br	ZINC000897218494	689989472	/nfs/dbraw/zinc/98/94/72/689989472.db2.gz	DICAWGLXNVRFFC-LSDHHAIUSA-N	1	1	368.250	2.495	20	30		FEEDMO
C[N@@H+](CC(=O)NCC(F)(C(F)(F)F)C(F)(F)F)[C@H]1CCSC1	ZINC000899097198	690303194	/nfs/dbraw/zinc/30/31/94/690303194.db2.gz	OVUCSAFMNWNATK-ZETCQYMHSA-N	1	1	356.307	2.373	20	30		FEEDMO
C[C@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)c1cc(C#N)ccn1	ZINC000902774473	690806812	/nfs/dbraw/zinc/80/68/12/690806812.db2.gz	HQHYVFYEKPQESG-LBPRGKRZSA-N	1	1	364.858	2.236	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)Cc2ccccc2S(=O)(=O)CC)CC1	ZINC000906598167	691290090	/nfs/dbraw/zinc/29/00/90/691290090.db2.gz	VNPUXMROXMUTBQ-UHFFFAOYSA-N	1	1	364.511	2.179	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H](OC)c1ccc(Br)s1	ZINC000908436251	691678554	/nfs/dbraw/zinc/67/85/54/691678554.db2.gz	FUNVIJVXANOYQB-CYBMUJFWSA-N	1	1	359.289	2.269	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(Cl)nc1C#N)C2	ZINC001164812745	720086540	/nfs/dbraw/zinc/08/65/40/720086540.db2.gz	ROASWTDHFIDTJJ-RDTXWAMCSA-N	1	1	361.877	2.186	20	30		FEEDMO
Cc1nc(C#N)cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164912099	721548404	/nfs/dbraw/zinc/54/84/04/721548404.db2.gz	YRRJPMHAWFGNQU-SJLPKXTDSA-N	1	1	353.401	2.138	20	30		FEEDMO
C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000800121607	674020997	/nfs/dbraw/zinc/02/09/97/674020997.db2.gz	CGNIOKJTVCNWTM-NSHDSACASA-N	1	1	361.389	2.340	20	30		FEEDMO
N#Cc1ccc(CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cc1	ZINC000023258969	539710442	/nfs/dbraw/zinc/71/04/42/539710442.db2.gz	ABZZFSMIGLRGJW-FQEVSTJZSA-N	1	1	351.450	2.116	20	30		FEEDMO
Cc1cc(NC(=O)[C@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)on1	ZINC000022969645	539703863	/nfs/dbraw/zinc/70/38/63/539703863.db2.gz	QWTDALUNLORWLS-INIZCTEOSA-N	1	1	367.453	2.390	20	30		FEEDMO
CC[N@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1	ZINC000024672509	539737699	/nfs/dbraw/zinc/73/76/99/539737699.db2.gz	VOFIOYNOOVMYMT-UHFFFAOYSA-N	1	1	358.417	2.358	20	30		FEEDMO
CC[N@@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1	ZINC000024672509	539737701	/nfs/dbraw/zinc/73/77/01/539737701.db2.gz	VOFIOYNOOVMYMT-UHFFFAOYSA-N	1	1	358.417	2.358	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000026062212	539775886	/nfs/dbraw/zinc/77/58/86/539775886.db2.gz	XXQIQYMXIOBZNX-FUHWJXTLSA-N	1	1	359.470	2.189	20	30		FEEDMO
CNC(=O)c1ccc(C[N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)cc1	ZINC000029931533	539868958	/nfs/dbraw/zinc/86/89/58/539868958.db2.gz	KNUZAFRVZPWLRR-UHFFFAOYSA-N	1	1	350.422	2.378	20	30		FEEDMO
CNC(=O)c1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2C#N)cc1	ZINC000029931395	539869117	/nfs/dbraw/zinc/86/91/17/539869117.db2.gz	RUXFUSXYYIZBOL-UHFFFAOYSA-N	1	1	350.422	2.378	20	30		FEEDMO
N#Cc1c(F)cccc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1	ZINC000030532171	539884395	/nfs/dbraw/zinc/88/43/95/539884395.db2.gz	TZLVVEZFZBQUSZ-MRXNPFEDSA-N	1	1	355.413	2.259	20	30		FEEDMO
COc1cccc(/C=N/Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1O	ZINC000044010142	540116945	/nfs/dbraw/zinc/11/69/45/540116945.db2.gz	CPDRQCOGKYSGQW-PXLXIMEGSA-N	1	1	367.449	2.408	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[N@H+]1CCCC[C@H]1C	ZINC000046338275	540252793	/nfs/dbraw/zinc/25/27/93/540252793.db2.gz	BFERFHSAGXVXBT-SJORKVTESA-N	1	1	370.501	2.048	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[N@H+]1CCCC[C@@H]1C	ZINC000046338276	540252948	/nfs/dbraw/zinc/25/29/48/540252948.db2.gz	BFERFHSAGXVXBT-IRXDYDNUSA-N	1	1	370.501	2.048	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1	ZINC000050166009	540401691	/nfs/dbraw/zinc/40/16/91/540401691.db2.gz	BFQWLWBURYHVEX-HNNXBMFYSA-N	1	1	372.469	2.134	20	30		FEEDMO
CC(=O)NC1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1	ZINC000050992940	540418495	/nfs/dbraw/zinc/41/84/95/540418495.db2.gz	OBJGKKYLZDREMM-UHFFFAOYSA-N	1	1	356.470	2.151	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1	ZINC000052564269	540474139	/nfs/dbraw/zinc/47/41/39/540474139.db2.gz	JHEQPHBQJRVHLX-HNNXBMFYSA-N	1	1	374.460	2.028	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[N@@H+]1CCCC[C@H]1C	ZINC000052842965	540492665	/nfs/dbraw/zinc/49/26/65/540492665.db2.gz	GYXUHYVLEMWSGU-CQSZACIVSA-N	1	1	358.486	2.177	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000076299103	542257850	/nfs/dbraw/zinc/25/78/50/542257850.db2.gz	LWPHIQCFWIPVBH-ZDUSSCGKSA-N	1	1	368.359	2.116	20	30		FEEDMO
C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCOc1cccc(C#N)c1	ZINC000057843608	540818798	/nfs/dbraw/zinc/81/87/98/540818798.db2.gz	FRWIBJTUJLVELN-AWEZNQCLSA-N	1	1	359.451	2.277	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[NH+]1CCN(CC(F)F)CC1)CCC2	ZINC000057914156	540824103	/nfs/dbraw/zinc/82/41/03/540824103.db2.gz	DHWLFBAXAHCYOS-UHFFFAOYSA-N	1	1	368.453	2.320	20	30		FEEDMO
N#CC1CCN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1	ZINC000057993736	540826496	/nfs/dbraw/zinc/82/64/96/540826496.db2.gz	KWKCNFXGOZZBIN-UHFFFAOYSA-N	1	1	369.513	2.139	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CC(=O)N2CCCC2)CC1	ZINC000061049800	541125740	/nfs/dbraw/zinc/12/57/40/541125740.db2.gz	NWMVVAKINNCGKF-QGZVFWFLSA-N	1	1	374.529	2.442	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1OCC#N	ZINC000060567597	541117565	/nfs/dbraw/zinc/11/75/65/541117565.db2.gz	GRPYRKWGZNZSIU-IWDGFTLQSA-N	1	1	355.438	2.354	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCNC(=O)c2ccc3ccccc3c2)CC1	ZINC000064443889	541205626	/nfs/dbraw/zinc/20/56/26/541205626.db2.gz	HYQFEXHSNVJZEZ-UHFFFAOYSA-N	1	1	363.461	2.127	20	30		FEEDMO
Cc1noc(C)c1CN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000065682244	541253518	/nfs/dbraw/zinc/25/35/18/541253518.db2.gz	XUAGAVJLSPFELB-UHFFFAOYSA-N	1	1	367.453	2.310	20	30		FEEDMO
COc1cc(NC(=O)CO[NH+]=C(N)CCC(C)C)cc(OC)c1OC	ZINC000066374465	541310474	/nfs/dbraw/zinc/31/04/74/541310474.db2.gz	DWCITOQMPLTJFF-UHFFFAOYSA-N	1	1	353.419	2.376	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000066473118	541323207	/nfs/dbraw/zinc/32/32/07/541323207.db2.gz	HSSISJFZLHAEPW-QRQLOZEOSA-N	1	1	373.497	2.315	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1	ZINC000067393164	541455109	/nfs/dbraw/zinc/45/51/09/541455109.db2.gz	YTLRXDWJYMLJLA-MRXNPFEDSA-N	1	1	372.469	2.132	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)[C@@H]2C1	ZINC000542839630	541484308	/nfs/dbraw/zinc/48/43/08/541484308.db2.gz	IQTSYVBHWZPNDX-CXAGYDPISA-N	1	1	368.416	2.441	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000542958257	541509323	/nfs/dbraw/zinc/50/93/23/541509323.db2.gz	FCGLOSIBNWPEJY-UHFFFAOYSA-N	1	1	353.361	2.210	20	30		FEEDMO
CC[N@@H+](CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1	ZINC000069111079	541658120	/nfs/dbraw/zinc/65/81/20/541658120.db2.gz	GQTNBJYNTHZHFU-INIZCTEOSA-N	1	1	373.476	2.450	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000069111091	541658199	/nfs/dbraw/zinc/65/81/99/541658199.db2.gz	PJOKGEPVGIRAEY-MRXNPFEDSA-N	1	1	361.465	2.306	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)[C@H](C)C1	ZINC000550879146	674115519	/nfs/dbraw/zinc/11/55/19/674115519.db2.gz	BVXGDTMLQRQERI-GFCCVEGCSA-N	1	1	362.499	2.408	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)[C@H](C)C1	ZINC000550879146	674115521	/nfs/dbraw/zinc/11/55/21/674115521.db2.gz	BVXGDTMLQRQERI-GFCCVEGCSA-N	1	1	362.499	2.408	20	30		FEEDMO
COCCOC[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000072796180	541866115	/nfs/dbraw/zinc/86/61/15/541866115.db2.gz	XITVHOKQXMJOIA-ZDUSSCGKSA-N	1	1	351.834	2.135	20	30		FEEDMO
COCCOC[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000072796180	541866117	/nfs/dbraw/zinc/86/61/17/541866117.db2.gz	XITVHOKQXMJOIA-ZDUSSCGKSA-N	1	1	351.834	2.135	20	30		FEEDMO
N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)c2ccccc21	ZINC000072831239	541876340	/nfs/dbraw/zinc/87/63/40/541876340.db2.gz	JHJFGVGZCLXJNE-OAQYLSRUSA-N	1	1	364.449	2.340	20	30		FEEDMO
N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)c2ccccc21	ZINC000072831239	541876346	/nfs/dbraw/zinc/87/63/46/541876346.db2.gz	JHJFGVGZCLXJNE-OAQYLSRUSA-N	1	1	364.449	2.340	20	30		FEEDMO
CC(C)c1[nH+]ccn1CCC(=O)N1CCCN(c2ncccc2C#N)CC1	ZINC000074248622	542058861	/nfs/dbraw/zinc/05/88/61/542058861.db2.gz	YKUDVWWKSMSVTJ-UHFFFAOYSA-N	1	1	366.469	2.402	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1	ZINC000074297605	542066217	/nfs/dbraw/zinc/06/62/17/542066217.db2.gz	RMLQQWDUVXPPIN-KRWDZBQOSA-N	1	1	357.454	2.136	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000076333941	542261891	/nfs/dbraw/zinc/26/18/91/542261891.db2.gz	GLRDJLKBMPJCDL-UONOGXRCSA-N	1	1	372.494	2.372	20	30		FEEDMO
CN(C)c1nc(NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc[nH+]1	ZINC000077189048	542352405	/nfs/dbraw/zinc/35/24/05/542352405.db2.gz	UGCVPRQHAKIFRU-UHFFFAOYSA-N	1	1	362.441	2.227	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1	ZINC000078451656	542462244	/nfs/dbraw/zinc/46/22/44/542462244.db2.gz	WIIIVDCEZCLQRL-PMACEKPBSA-N	1	1	354.498	2.343	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1	ZINC000081120620	542634446	/nfs/dbraw/zinc/63/44/46/542634446.db2.gz	PPDJMVVCUYXAOF-HSALFYBXSA-N	1	1	352.482	2.270	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(OC[C@H]2CCCO2)CC1)C1(C#N)CCCCC1	ZINC000083413473	542697326	/nfs/dbraw/zinc/69/73/26/542697326.db2.gz	CFRKEEXKURQEEG-GOSISDBHSA-N	1	1	363.502	2.331	20	30		FEEDMO
C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCN(S(C)(=O)=O)C1	ZINC000085789047	542731465	/nfs/dbraw/zinc/73/14/65/542731465.db2.gz	ICOXZBIUOYPQOI-MRXNPFEDSA-N	1	1	367.471	2.254	20	30		FEEDMO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1C#N	ZINC000089673600	542768542	/nfs/dbraw/zinc/76/85/42/542768542.db2.gz	QPCJPIZZFRUBFX-UHFFFAOYSA-N	1	1	367.388	2.215	20	30		FEEDMO
Cc1nn(-c2ccccc2)c(CN2CCC([N@@H+](C)CCCO)CC2)c1C#N	ZINC000091069797	542793300	/nfs/dbraw/zinc/79/33/00/542793300.db2.gz	KNKSKESTLBJWDB-UHFFFAOYSA-N	1	1	367.497	2.331	20	30		FEEDMO
CCOc1ccc(O)c(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1	ZINC000091936855	542833234	/nfs/dbraw/zinc/83/32/34/542833234.db2.gz	JTTVCBNPHDCXIG-AWEZNQCLSA-N	1	1	353.426	2.163	20	30		FEEDMO
C[C@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[N@@H+](C)C1CC1	ZINC000092235949	542850732	/nfs/dbraw/zinc/85/07/32/542850732.db2.gz	DYZQENBUFRKYDP-MXWWQKGMSA-N	1	1	371.485	2.425	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000101922308	543050300	/nfs/dbraw/zinc/05/03/00/543050300.db2.gz	YBCCWZUVRHPRIT-KRWDZBQOSA-N	1	1	360.433	2.222	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1	ZINC000101922308	543050303	/nfs/dbraw/zinc/05/03/03/543050303.db2.gz	YBCCWZUVRHPRIT-KRWDZBQOSA-N	1	1	360.433	2.222	20	30		FEEDMO
CC[NH+](CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000102068854	543059299	/nfs/dbraw/zinc/05/92/99/543059299.db2.gz	JMRDZQNVBXVNAN-UHFFFAOYSA-N	1	1	369.513	2.260	20	30		FEEDMO
CC[NH+](CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000102068854	543059304	/nfs/dbraw/zinc/05/93/04/543059304.db2.gz	JMRDZQNVBXVNAN-UHFFFAOYSA-N	1	1	369.513	2.260	20	30		FEEDMO
CC[N@@H+](CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000102068854	543059311	/nfs/dbraw/zinc/05/93/11/543059311.db2.gz	JMRDZQNVBXVNAN-UHFFFAOYSA-N	1	1	369.513	2.260	20	30		FEEDMO
COc1ccc(C[N@@H+]2CCCN(S(=O)(=O)CCCCC#N)CC2)cc1	ZINC000104109632	543123629	/nfs/dbraw/zinc/12/36/29/543123629.db2.gz	RJKISTRFCWSHRQ-UHFFFAOYSA-N	1	1	365.499	2.227	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCN(S(=O)(=O)CCCCC#N)CC2)cc1	ZINC000104109632	543123631	/nfs/dbraw/zinc/12/36/31/543123631.db2.gz	RJKISTRFCWSHRQ-UHFFFAOYSA-N	1	1	365.499	2.227	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCC#N)CCC(C)C)CC1=O	ZINC000105329477	543171483	/nfs/dbraw/zinc/17/14/83/543171483.db2.gz	OPBXGWWVUVEEHK-QZTJIDSGSA-N	1	1	362.518	2.108	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1	ZINC000108891833	543307013	/nfs/dbraw/zinc/30/70/13/543307013.db2.gz	QNTBTOVGQQUZLM-UHFFFAOYSA-N	1	1	354.454	2.020	20	30		FEEDMO
CC(C)(C)C[N@@H+](CCC#N)CCC(=O)N1CCN(c2ccccn2)CC1	ZINC000109813121	543340139	/nfs/dbraw/zinc/34/01/39/543340139.db2.gz	BTZWCKXFKYQIOX-UHFFFAOYSA-N	1	1	357.502	2.382	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000111265902	543390986	/nfs/dbraw/zinc/39/09/86/543390986.db2.gz	QSEUYRYKQZTSBW-KRWDZBQOSA-N	1	1	356.470	2.008	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)NC1CC[NH+](CCN(C)C)CC1	ZINC000111813833	543416854	/nfs/dbraw/zinc/41/68/54/543416854.db2.gz	TUAUDRFOKFZWJP-UHFFFAOYSA-N	1	1	360.502	2.077	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000113406855	543487174	/nfs/dbraw/zinc/48/71/74/543487174.db2.gz	NHMUDODEJHZWTD-SFHVURJKSA-N	1	1	370.501	2.049	20	30		FEEDMO
N#Cc1ccc([C@@H]([NH2+]CC2(N3CCSCC3)CCCCC2)C(N)=O)cc1	ZINC000115600170	543577598	/nfs/dbraw/zinc/57/75/98/543577598.db2.gz	KGKLWNQAKFAHCX-GOSISDBHSA-N	1	1	372.538	2.426	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000118104348	543645227	/nfs/dbraw/zinc/64/52/27/543645227.db2.gz	DPTCTWOQTIJMKF-HXUWFJFHSA-N	1	1	361.445	2.235	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1	ZINC000120801909	543685252	/nfs/dbraw/zinc/68/52/52/543685252.db2.gz	COZGXDNSUWZYNQ-IAGOWNOFSA-N	1	1	359.470	2.425	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1	ZINC000120801909	543685254	/nfs/dbraw/zinc/68/52/54/543685254.db2.gz	COZGXDNSUWZYNQ-IAGOWNOFSA-N	1	1	359.470	2.425	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1	ZINC000118898982	543661416	/nfs/dbraw/zinc/66/14/16/543661416.db2.gz	YXSRGFOMCATKJQ-CABCVRRESA-N	1	1	374.510	2.477	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1OC	ZINC000124483329	543824964	/nfs/dbraw/zinc/82/49/64/543824964.db2.gz	SRQRAGCDBQKBCA-SFHVURJKSA-N	1	1	374.481	2.331	20	30		FEEDMO
C=CCCOCCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000124715902	543838680	/nfs/dbraw/zinc/83/86/80/543838680.db2.gz	HCDPWCWVFZZRFX-SFHVURJKSA-N	1	1	360.502	2.089	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)CCC[C@@H]3C)CC2)o1	ZINC000125439743	543881817	/nfs/dbraw/zinc/88/18/17/543881817.db2.gz	TVBUDMAUFQQEBP-CABCVRRESA-N	1	1	359.474	2.014	20	30		FEEDMO
Cc1ccc(NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c(Cl)c1	ZINC000125448125	543881994	/nfs/dbraw/zinc/88/19/94/543881994.db2.gz	ZJCUNBTUQJIJBE-UHFFFAOYSA-N	1	1	360.849	2.329	20	30		FEEDMO
C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCN1CC(F)(F)F	ZINC000127949267	544023225	/nfs/dbraw/zinc/02/32/25/544023225.db2.gz	HPLPAZLMCOZOFS-ZDUSSCGKSA-N	1	1	354.376	2.455	20	30		FEEDMO
C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCN1CC(F)(F)F	ZINC000127949267	544023228	/nfs/dbraw/zinc/02/32/28/544023228.db2.gz	HPLPAZLMCOZOFS-ZDUSSCGKSA-N	1	1	354.376	2.455	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1	ZINC000127373411	543989254	/nfs/dbraw/zinc/98/92/54/543989254.db2.gz	PNMGSWWEGNPIMN-AWEZNQCLSA-N	1	1	355.398	2.347	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1CCOC	ZINC000128729648	544069532	/nfs/dbraw/zinc/06/95/32/544069532.db2.gz	WGIUZCSWXMBVJU-CQSZACIVSA-N	1	1	351.397	2.409	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CC[N@H+]1CCOC	ZINC000128729648	544069534	/nfs/dbraw/zinc/06/95/34/544069534.db2.gz	WGIUZCSWXMBVJU-CQSZACIVSA-N	1	1	351.397	2.409	20	30		FEEDMO
C[NH+]1CCN(CCCCNC(=O)N[C@H](CCC#N)c2ccccc2)CC1	ZINC000131794511	544207244	/nfs/dbraw/zinc/20/72/44/544207244.db2.gz	RIIMVCMSQSLUNW-LJQANCHMSA-N	1	1	357.502	2.358	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000134895024	544325822	/nfs/dbraw/zinc/32/58/22/544325822.db2.gz	XLIZXLZUVVJZCA-YLJYHZDGSA-N	1	1	373.522	2.281	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000135835110	544361857	/nfs/dbraw/zinc/36/18/57/544361857.db2.gz	USJPZILVXOSZRF-CQSZACIVSA-N	1	1	360.433	2.407	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1	ZINC000151918893	544595550	/nfs/dbraw/zinc/59/55/50/544595550.db2.gz	LGZDEVHOHPRUDE-ZBFHGGJFSA-N	1	1	357.454	2.321	20	30		FEEDMO
CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[S@@](=O)C(C)(C)C)CC1=O	ZINC000154001931	544850632	/nfs/dbraw/zinc/85/06/32/544850632.db2.gz	GGHGQSLFUWGACV-SANMLTNESA-N	1	1	374.510	2.193	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1	ZINC000154728905	544942032	/nfs/dbraw/zinc/94/20/32/544942032.db2.gz	NQFOKUWAPLIGPZ-MRXNPFEDSA-N	1	1	359.470	2.443	20	30		FEEDMO
C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCO[C@@H](C#N)C2)C1	ZINC000247536243	549353061	/nfs/dbraw/zinc/35/30/61/549353061.db2.gz	CNHDIZUEJXLYGT-LPHOPBHVSA-N	1	1	356.470	2.352	20	30		FEEDMO
C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCCC[NH+]1CCOCC1	ZINC000553083870	674237772	/nfs/dbraw/zinc/23/77/72/674237772.db2.gz	ZWYWQFDJXHCBBB-UHFFFAOYSA-N	1	1	350.459	2.179	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCCCC#N)[C@@H]1c1cccs1	ZINC000553271990	674250038	/nfs/dbraw/zinc/25/00/38/674250038.db2.gz	LPIZZXIHQKYMIW-GOEBONIOSA-N	1	1	362.499	2.057	20	30		FEEDMO
CCCN1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1=O	ZINC000189211806	328135161	/nfs/dbraw/zinc/13/51/61/328135161.db2.gz	CWXGSBWJONRIAJ-UHFFFAOYSA-N	1	1	351.454	2.403	20	30		FEEDMO
CCCN1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1=O	ZINC000189211806	328135162	/nfs/dbraw/zinc/13/51/62/328135162.db2.gz	CWXGSBWJONRIAJ-UHFFFAOYSA-N	1	1	351.454	2.403	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)C[N@H+]3CCC[C@H](C)C3)CC2)o1	ZINC000189219763	328135451	/nfs/dbraw/zinc/13/54/51/328135451.db2.gz	PHMBWMQRTNROTR-LSDHHAIUSA-N	1	1	373.501	2.308	20	30		FEEDMO
CCO[C@@H]1C[C@](CO)([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C1(C)C	ZINC000190023733	328183296	/nfs/dbraw/zinc/18/32/96/328183296.db2.gz	VQUHEIGVAKFHQC-DNVCBOLYSA-N	1	1	356.426	2.264	20	30		FEEDMO
CCc1nnc(C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)[nH]1	ZINC000190677925	328224232	/nfs/dbraw/zinc/22/42/32/328224232.db2.gz	SELICCAERHQPIG-UHFFFAOYSA-N	1	1	352.442	2.447	20	30		FEEDMO
CCc1nc(C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)n[nH]1	ZINC000190677925	328224233	/nfs/dbraw/zinc/22/42/33/328224233.db2.gz	SELICCAERHQPIG-UHFFFAOYSA-N	1	1	352.442	2.447	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1	ZINC000192565160	328326284	/nfs/dbraw/zinc/32/62/84/328326284.db2.gz	OYZSPWYFGXYROF-CABCVRRESA-N	1	1	373.501	2.290	20	30		FEEDMO
CC[N@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000193757490	328393747	/nfs/dbraw/zinc/39/37/47/328393747.db2.gz	ZRRUPHIVPUZVIX-IRXDYDNUSA-N	1	1	370.497	2.458	20	30		FEEDMO
CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N1CCCCC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000193757490	328393748	/nfs/dbraw/zinc/39/37/48/328393748.db2.gz	ZRRUPHIVPUZVIX-IRXDYDNUSA-N	1	1	370.497	2.458	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(OC[C@@H]4CCCO4)CC3)C2=O)cc1	ZINC000083413316	325218719	/nfs/dbraw/zinc/21/87/19/325218719.db2.gz	ANSUYGSMOZMCKD-VQTJNVASSA-N	1	1	369.465	2.324	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1ccc(C#N)cc1	ZINC000116253136	326002255	/nfs/dbraw/zinc/00/22/55/326002255.db2.gz	YCVKUVPHQCEHJG-JXFKEZNVSA-N	1	1	364.449	2.359	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1	ZINC000119410297	326158942	/nfs/dbraw/zinc/15/89/42/326158942.db2.gz	FEECUTYPPJRFDG-LMMKCTJWSA-N	1	1	362.495	2.284	20	30		FEEDMO
CCOc1ccnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3OC)CC2)n1	ZINC000121262929	326325672	/nfs/dbraw/zinc/32/56/72/326325672.db2.gz	ULTKLVWYHOEOOE-UHFFFAOYSA-N	1	1	367.453	2.468	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCCN(c2ccccc2F)C1=O	ZINC000121463714	326340630	/nfs/dbraw/zinc/34/06/30/326340630.db2.gz	NTHHIKFOKZNVHQ-QGZVFWFLSA-N	1	1	370.432	2.063	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2cccc(C)c2C#N)cn1	ZINC000157725513	326873289	/nfs/dbraw/zinc/87/32/89/326873289.db2.gz	UOGDQUURQFRTQR-UHFFFAOYSA-N	1	1	367.434	2.234	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000162964648	327039044	/nfs/dbraw/zinc/03/90/44/327039044.db2.gz	CYUHXLORCFLQCH-APWZRJJASA-N	1	1	366.465	2.362	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)C[NH+]1CCOCC1	ZINC000163317985	327048854	/nfs/dbraw/zinc/04/88/54/327048854.db2.gz	IZVSFMXLNZWYRX-KRWDZBQOSA-N	1	1	358.486	2.448	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(C#N)ccc2C)CC1=O	ZINC000171541442	327144982	/nfs/dbraw/zinc/14/49/82/327144982.db2.gz	ODZQYNWAKVILQX-IAGOWNOFSA-N	1	1	354.454	2.138	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](OCCO)C2)cc1Cl	ZINC000172295728	327193649	/nfs/dbraw/zinc/19/36/49/327193649.db2.gz	GBBLMAMZKILVCW-HNNXBMFYSA-N	1	1	351.834	2.014	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](OCCO)C1	ZINC000172300775	327194110	/nfs/dbraw/zinc/19/41/10/327194110.db2.gz	CWGRZASJHKHZKH-WFASDCNBSA-N	1	1	351.834	2.012	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](OCCO)C1	ZINC000172300775	327194111	/nfs/dbraw/zinc/19/41/11/327194111.db2.gz	CWGRZASJHKHZKH-WFASDCNBSA-N	1	1	351.834	2.012	20	30		FEEDMO
C[NH+]1CCN([C@@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1	ZINC000173281160	327246643	/nfs/dbraw/zinc/24/66/43/327246643.db2.gz	LOXXEMAZDLPYJW-HXUWFJFHSA-N	1	1	354.498	2.119	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1	ZINC000175102885	327374362	/nfs/dbraw/zinc/37/43/62/327374362.db2.gz	WGWCPDAGWBISNR-AWEZNQCLSA-N	1	1	366.421	2.464	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH+]1CCN(c2cc(C#N)ccn2)CC1	ZINC000265841716	329165545	/nfs/dbraw/zinc/16/55/45/329165545.db2.gz	NPDWSJGYYBHWQS-UHFFFAOYSA-N	1	1	363.421	2.035	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1C#N	ZINC000266584033	329238715	/nfs/dbraw/zinc/23/87/15/329238715.db2.gz	SHYLVKBIIMRPFP-MRXNPFEDSA-N	1	1	356.451	2.286	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000275888812	330100219	/nfs/dbraw/zinc/10/02/19/330100219.db2.gz	FJQHPLKPGPCPDH-CJNGLKHVSA-N	1	1	360.845	2.093	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CCCCO)c1C#N	ZINC000276320321	330140555	/nfs/dbraw/zinc/14/05/55/330140555.db2.gz	DDGCXRPZXDXVCR-UHFFFAOYSA-N	1	1	358.442	2.261	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1	ZINC000288715328	330187853	/nfs/dbraw/zinc/18/78/53/330187853.db2.gz	FXMVXNNDMBFLFF-IBGZPJMESA-N	1	1	370.497	2.001	20	30		FEEDMO
CC(C)(C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(F)cc(C#N)c1	ZINC000367210147	330230309	/nfs/dbraw/zinc/23/03/09/330230309.db2.gz	AIWXLUWNJZIAPD-QZTJIDSGSA-N	1	1	359.445	2.033	20	30		FEEDMO
C#C[C@H](NC(=O)NCCC[N@H+](C)CCOC)c1ccc(Cl)cc1F	ZINC000805180801	674324325	/nfs/dbraw/zinc/32/43/25/674324325.db2.gz	DMLRDRSZZLEKCN-INIZCTEOSA-N	1	1	355.841	2.421	20	30		FEEDMO
COC1(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CCC1	ZINC000328645923	522572414	/nfs/dbraw/zinc/57/24/14/522572414.db2.gz	ZUSJQPSUKCUERS-DOTOQJQBSA-N	1	1	363.506	2.218	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1	ZINC000155839228	545575084	/nfs/dbraw/zinc/57/50/84/545575084.db2.gz	IFTJMMJYTNWZFW-GQIGUUNPSA-N	1	1	368.485	2.352	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc3ccccn32)C1	ZINC000155839228	545575086	/nfs/dbraw/zinc/57/50/86/545575086.db2.gz	IFTJMMJYTNWZFW-GQIGUUNPSA-N	1	1	368.485	2.352	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000156623358	545640306	/nfs/dbraw/zinc/64/03/06/545640306.db2.gz	ZFAQXJCTSPQARI-LJQANCHMSA-N	1	1	370.497	2.350	20	30		FEEDMO
CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000157240245	545717327	/nfs/dbraw/zinc/71/73/27/545717327.db2.gz	PMQOKXUTJWHRLM-MRXNPFEDSA-N	1	1	358.442	2.126	20	30		FEEDMO
CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000157240245	545717332	/nfs/dbraw/zinc/71/73/32/545717332.db2.gz	PMQOKXUTJWHRLM-MRXNPFEDSA-N	1	1	358.442	2.126	20	30		FEEDMO
C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000159929318	545993187	/nfs/dbraw/zinc/99/31/87/545993187.db2.gz	DSIIMNAHNOQZPK-MGPUTAFESA-N	1	1	363.465	2.295	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](CCc2cccc(OC(F)(F)F)c2)CC1	ZINC000160895850	546082688	/nfs/dbraw/zinc/08/26/88/546082688.db2.gz	IFJNZVYWNUDMHY-UHFFFAOYSA-N	1	1	371.403	2.048	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)CNc2cccc(C#N)c2)[C@H](C)C1	ZINC000160902161	546083156	/nfs/dbraw/zinc/08/31/56/546083156.db2.gz	JBPPINIYOBCZBL-VQIMIIECSA-N	1	1	358.486	2.223	20	30		FEEDMO
Cc1ccnc(N2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)c1	ZINC000164047884	546148757	/nfs/dbraw/zinc/14/87/57/546148757.db2.gz	WVTDKGKTPRTARD-LJQANCHMSA-N	1	1	366.465	2.018	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cccc(Br)c2)CC1	ZINC000171537562	546214159	/nfs/dbraw/zinc/21/41/59/546214159.db2.gz	PBRBGTDAUFCRJM-UHFFFAOYSA-N	1	1	359.289	2.378	20	30		FEEDMO
C[C@H]1CCC[C@@](C#N)(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000172308727	546245796	/nfs/dbraw/zinc/24/57/96/546245796.db2.gz	GXNHZKLBCFFJMG-GHTZIAJQSA-N	1	1	354.498	2.393	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)[N@H+]1CCc2ccccc2C1	ZINC000173342142	546278702	/nfs/dbraw/zinc/27/87/02/546278702.db2.gz	OXSPGGPGJNQSJT-HNNXBMFYSA-N	1	1	352.442	2.365	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(c2nc(C)ns2)CC1	ZINC000174171117	546292576	/nfs/dbraw/zinc/29/25/76/546292576.db2.gz	LKWKOMVXSMOBNM-AWEZNQCLSA-N	1	1	351.520	2.172	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCN(c2nc(C)ns2)CC1	ZINC000174171117	546292579	/nfs/dbraw/zinc/29/25/79/546292579.db2.gz	LKWKOMVXSMOBNM-AWEZNQCLSA-N	1	1	351.520	2.172	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](CC(N)=O)C2)cc1	ZINC000175251536	546307691	/nfs/dbraw/zinc/30/76/91/546307691.db2.gz	ZJVOCSYHJWNTNV-DLBZAZTESA-N	1	1	356.470	2.218	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000175376871	546309497	/nfs/dbraw/zinc/30/94/97/546309497.db2.gz	BVEAZXNNRYBHRO-INIZCTEOSA-N	1	1	359.449	2.013	20	30		FEEDMO
C=CCN(Cc1ccccc1F)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000175769124	546346401	/nfs/dbraw/zinc/34/64/01/546346401.db2.gz	QPNNUZUAJFIKRR-KRWDZBQOSA-N	1	1	362.493	2.407	20	30		FEEDMO
CN(C(=O)c1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1)[C@H]1CCC[N@@H+](C)C1	ZINC000175834119	546358630	/nfs/dbraw/zinc/35/86/30/546358630.db2.gz	PLXQXGAMOUEABA-KRWDZBQOSA-N	1	1	365.437	2.305	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000176301348	546429453	/nfs/dbraw/zinc/42/94/53/546429453.db2.gz	UJDXHHLABOMITF-AWEZNQCLSA-N	1	1	368.474	2.002	20	30		FEEDMO
CN(C)c1nc(N2CCN(Cc3ccc(Cl)cc3C#N)CC2)cc[nH+]1	ZINC000480544422	561211687	/nfs/dbraw/zinc/21/16/87/561211687.db2.gz	ZRESJRWAVUBHMG-UHFFFAOYSA-N	1	1	356.861	2.390	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1	ZINC000177402914	546610550	/nfs/dbraw/zinc/61/05/50/546610550.db2.gz	WZDMEUWTLIDDFV-KRWDZBQOSA-N	1	1	354.454	2.123	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1	ZINC000177402914	546610556	/nfs/dbraw/zinc/61/05/56/546610556.db2.gz	WZDMEUWTLIDDFV-KRWDZBQOSA-N	1	1	354.454	2.123	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000177985994	546717185	/nfs/dbraw/zinc/71/71/85/546717185.db2.gz	IERWXHYZFFRVHQ-IBGZPJMESA-N	1	1	352.394	2.322	20	30		FEEDMO
CS(=O)(=O)Nc1cccc2c1CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C2	ZINC000177999002	546719912	/nfs/dbraw/zinc/71/99/12/546719912.db2.gz	DBUKHQVRZDMXMK-IBGZPJMESA-N	1	1	371.462	2.021	20	30		FEEDMO
COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(C#N)cc1Br	ZINC000481094019	561225204	/nfs/dbraw/zinc/22/52/04/561225204.db2.gz	PVCGJGVUIPRZGM-HNNXBMFYSA-N	1	1	355.232	2.379	20	30		FEEDMO
CC(=O)N[C@@H](C)C1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000481120937	561225701	/nfs/dbraw/zinc/22/57/01/561225701.db2.gz	RWDMRACZBXTTQD-ZDUSSCGKSA-N	1	1	353.426	2.345	20	30		FEEDMO
C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1	ZINC000178593925	546816778	/nfs/dbraw/zinc/81/67/78/546816778.db2.gz	APMDFSJCMMMWPF-OAHLLOKOSA-N	1	1	356.470	2.450	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1	ZINC000178593925	546816782	/nfs/dbraw/zinc/81/67/82/546816782.db2.gz	APMDFSJCMMMWPF-OAHLLOKOSA-N	1	1	356.470	2.450	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1)C1CC1	ZINC000481622330	561237589	/nfs/dbraw/zinc/23/75/89/561237589.db2.gz	GEOJEMMSYDEEGV-IBGZPJMESA-N	1	1	359.445	2.004	20	30		FEEDMO
CCC[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000179668826	546995092	/nfs/dbraw/zinc/99/50/92/546995092.db2.gz	NIQJDGJGOLCDGM-LJQANCHMSA-N	1	1	358.486	2.320	20	30		FEEDMO
CCC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCN1CCOC	ZINC000179668826	546995098	/nfs/dbraw/zinc/99/50/98/546995098.db2.gz	NIQJDGJGOLCDGM-LJQANCHMSA-N	1	1	358.486	2.320	20	30		FEEDMO
C=CCNC(=O)CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1	ZINC000180395729	547100194	/nfs/dbraw/zinc/10/01/94/547100194.db2.gz	QWDSHLPLPCBISQ-INIZCTEOSA-N	1	1	358.486	2.162	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1C#N	ZINC000180894265	547204315	/nfs/dbraw/zinc/20/43/15/547204315.db2.gz	MCAMVFDIFBHVQQ-MRXNPFEDSA-N	1	1	364.449	2.442	20	30		FEEDMO
C=C(C)C[N@@H+](C)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000181297996	547289728	/nfs/dbraw/zinc/28/97/28/547289728.db2.gz	LQVFWFVANQFULS-UHFFFAOYSA-N	1	1	365.499	2.308	20	30		FEEDMO
C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCCC[C@@H]1O	ZINC000181442429	547315468	/nfs/dbraw/zinc/31/54/68/547315468.db2.gz	DUWXASXDPMDEKR-QAPCUYQASA-N	1	1	367.453	2.165	20	30		FEEDMO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1	ZINC000183187607	547618070	/nfs/dbraw/zinc/61/80/70/547618070.db2.gz	UHTGUVDEXNVADY-KRWDZBQOSA-N	1	1	373.497	2.443	20	30		FEEDMO
CC#CCCCC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000185533721	547998016	/nfs/dbraw/zinc/99/80/16/547998016.db2.gz	ZOMIJBZNBWPCIF-UHFFFAOYSA-N	1	1	357.454	2.215	20	30		FEEDMO
C[C@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1	ZINC000186270028	548110937	/nfs/dbraw/zinc/11/09/37/548110937.db2.gz	PJUAJEWQVNLMCP-IAQYHMDHSA-N	1	1	355.269	2.310	20	30		FEEDMO
COC(=O)c1ccccc1CC[NH+]1CCN(c2ncccc2C#N)CC1	ZINC000186479924	548141793	/nfs/dbraw/zinc/14/17/93/548141793.db2.gz	WOQDXLUVUBMIHJ-UHFFFAOYSA-N	1	1	350.422	2.105	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)CCO1	ZINC000186790024	548194300	/nfs/dbraw/zinc/19/43/00/548194300.db2.gz	IXCRTRCPIHTCOT-MRXNPFEDSA-N	1	1	353.466	2.302	20	30		FEEDMO
C=C(C)CS(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000189803552	548310569	/nfs/dbraw/zinc/31/05/69/548310569.db2.gz	INVTYIOQXABVLT-QZTJIDSGSA-N	1	1	350.484	2.469	20	30		FEEDMO
C=C(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000189803552	548310573	/nfs/dbraw/zinc/31/05/73/548310573.db2.gz	INVTYIOQXABVLT-QZTJIDSGSA-N	1	1	350.484	2.469	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1	ZINC000191302485	548342648	/nfs/dbraw/zinc/34/26/48/548342648.db2.gz	NGSCKVJFVIVPDK-LLVKDONJSA-N	1	1	350.410	2.396	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C	ZINC000191794628	548351891	/nfs/dbraw/zinc/35/18/91/548351891.db2.gz	URCFUWBEZMMATL-RYRKJORJSA-N	1	1	357.454	2.453	20	30		FEEDMO
COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C	ZINC000191794628	548351895	/nfs/dbraw/zinc/35/18/95/548351895.db2.gz	URCFUWBEZMMATL-RYRKJORJSA-N	1	1	357.454	2.453	20	30		FEEDMO
C[C@@H](C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1	ZINC000486623507	561352750	/nfs/dbraw/zinc/35/27/50/561352750.db2.gz	LXCOOYZCOOGIIE-IERDGZPVSA-N	1	1	363.461	2.197	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000195302775	548617450	/nfs/dbraw/zinc/61/74/50/548617450.db2.gz	MKHOTDNPZIOCLX-CEXWTWQISA-N	1	1	372.513	2.363	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000195302775	548617455	/nfs/dbraw/zinc/61/74/55/548617455.db2.gz	MKHOTDNPZIOCLX-CEXWTWQISA-N	1	1	372.513	2.363	20	30		FEEDMO
C[C@@H]1CN(CC[N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H](C)O1	ZINC000195309320	548619106	/nfs/dbraw/zinc/61/91/06/548619106.db2.gz	UPEQSLVXWCSFKH-CALCHBBNSA-N	1	1	367.497	2.500	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1	ZINC000487770413	561375460	/nfs/dbraw/zinc/37/54/60/561375460.db2.gz	MLRPWSOUWCKDQQ-CQSZACIVSA-N	1	1	373.501	2.039	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245387971	548903963	/nfs/dbraw/zinc/90/39/63/548903963.db2.gz	BCRIKTCOYUJZTB-HKUYNNGSSA-N	1	1	368.481	2.148	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245387971	548903968	/nfs/dbraw/zinc/90/39/68/548903968.db2.gz	BCRIKTCOYUJZTB-HKUYNNGSSA-N	1	1	368.481	2.148	20	30		FEEDMO
Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)nc1	ZINC000245419831	548913306	/nfs/dbraw/zinc/91/33/06/548913306.db2.gz	HDQOONOZUISNGZ-OXJNMPFZSA-N	1	1	371.485	2.095	20	30		FEEDMO
Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)nc1	ZINC000245419831	548913312	/nfs/dbraw/zinc/91/33/12/548913312.db2.gz	HDQOONOZUISNGZ-OXJNMPFZSA-N	1	1	371.485	2.095	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)Nc1ccc(C#N)c(Br)c1	ZINC000487998311	561380796	/nfs/dbraw/zinc/38/07/96/561380796.db2.gz	YFCMLNZLKRDNKE-UHFFFAOYSA-N	1	1	369.263	2.411	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000245560667	548947020	/nfs/dbraw/zinc/94/70/20/548947020.db2.gz	MWUQDBPQAXSSFI-WOJBJXKFSA-N	1	1	354.498	2.168	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@H]1c1ccccc1	ZINC000245641882	548964298	/nfs/dbraw/zinc/96/42/98/548964298.db2.gz	KQTSMHYKOYVWOB-ZWKOTPCHSA-N	1	1	366.396	2.197	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1	ZINC000245901613	549015413	/nfs/dbraw/zinc/01/54/13/549015413.db2.gz	UGBUADBPQQKWLU-QFBILLFUSA-N	1	1	366.465	2.362	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCS[C@@H]3CCCC[C@H]32)CC1	ZINC000245988144	549032341	/nfs/dbraw/zinc/03/23/41/549032341.db2.gz	HPVGNGJDZVZFJE-FGTMMUONSA-N	1	1	364.559	2.039	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1	ZINC000246343558	549110331	/nfs/dbraw/zinc/11/03/31/549110331.db2.gz	JINXPQICPKMGQB-OALUTQOASA-N	1	1	359.518	2.229	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1C#N	ZINC000488678565	561394375	/nfs/dbraw/zinc/39/43/75/561394375.db2.gz	VQUWDGULEZJVPZ-QGZVFWFLSA-N	1	1	372.469	2.083	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1C#N	ZINC000488678565	561394376	/nfs/dbraw/zinc/39/43/76/561394376.db2.gz	VQUWDGULEZJVPZ-QGZVFWFLSA-N	1	1	372.469	2.083	20	30		FEEDMO
N#CCc1cccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1	ZINC000246850823	549227469	/nfs/dbraw/zinc/22/74/69/549227469.db2.gz	UAKHJLJEPZRDOF-RTWAWAEBSA-N	1	1	363.461	2.365	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CCN(c3cc[nH+]c(N4CCCCC4)n3)C2)nc1	ZINC000488986344	561400932	/nfs/dbraw/zinc/40/09/32/561400932.db2.gz	SEELTCWYATZODR-MRXNPFEDSA-N	1	1	350.426	2.391	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1	ZINC000489025181	561401840	/nfs/dbraw/zinc/40/18/40/561401840.db2.gz	GRHZMIMGCAIHBX-FUHWJXTLSA-N	1	1	371.412	2.375	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC[C@H]21	ZINC000247171174	549293684	/nfs/dbraw/zinc/29/36/84/549293684.db2.gz	SOPPKQYNQGPRJN-BLLLJJGKSA-N	1	1	360.845	2.093	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@H+]1CCC[C@@H](C)C1	ZINC000248681360	549482757	/nfs/dbraw/zinc/48/27/57/549482757.db2.gz	OYZSPWYFGXYROF-HUUCEWRRSA-N	1	1	373.501	2.290	20	30		FEEDMO
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248707155	549488563	/nfs/dbraw/zinc/48/85/63/549488563.db2.gz	AWAIYFRPMKCCIQ-AITUJVMLSA-N	1	1	367.449	2.327	20	30		FEEDMO
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248707155	549488565	/nfs/dbraw/zinc/48/85/65/549488565.db2.gz	AWAIYFRPMKCCIQ-AITUJVMLSA-N	1	1	367.449	2.327	20	30		FEEDMO
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248707164	549488678	/nfs/dbraw/zinc/48/86/78/549488678.db2.gz	AWAIYFRPMKCCIQ-YSHGAJCASA-N	1	1	367.449	2.327	20	30		FEEDMO
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248707164	549488680	/nfs/dbraw/zinc/48/86/80/549488680.db2.gz	AWAIYFRPMKCCIQ-YSHGAJCASA-N	1	1	367.449	2.327	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCS[C@H]4COCC[C@H]43)C2=O)cc1	ZINC000248732433	549492527	/nfs/dbraw/zinc/49/25/27/549492527.db2.gz	JUOLYFLFSUAARE-SQNIBIBYSA-N	1	1	357.479	2.260	20	30		FEEDMO
C=C(C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000248823808	549507961	/nfs/dbraw/zinc/50/79/61/549507961.db2.gz	FXYSBLFRXXLCOB-QZTJIDSGSA-N	1	1	357.564	2.161	20	30		FEEDMO
C=C(C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1	ZINC000248823808	549507965	/nfs/dbraw/zinc/50/79/65/549507965.db2.gz	FXYSBLFRXXLCOB-QZTJIDSGSA-N	1	1	357.564	2.161	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)o1	ZINC000248895391	549523684	/nfs/dbraw/zinc/52/36/84/549523684.db2.gz	JOEASFQFWUNKHS-HUUCEWRRSA-N	1	1	373.501	2.308	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000249129757	549556732	/nfs/dbraw/zinc/55/67/32/549556732.db2.gz	URCFUWBEZMMATL-XYJFISCASA-N	1	1	357.454	2.453	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000249129757	549556736	/nfs/dbraw/zinc/55/67/36/549556736.db2.gz	URCFUWBEZMMATL-XYJFISCASA-N	1	1	357.454	2.453	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489636317	561416045	/nfs/dbraw/zinc/41/60/45/561416045.db2.gz	RTHJEUXEYPSOMJ-KUHUBIRLSA-N	1	1	373.453	2.496	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)[C@H](C)C1	ZINC000249145276	549560673	/nfs/dbraw/zinc/56/06/73/549560673.db2.gz	GETBNAQNIWWEIX-INMHGKMJSA-N	1	1	372.469	2.105	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1	ZINC000249737485	549621888	/nfs/dbraw/zinc/62/18/88/549621888.db2.gz	WNPDSMMTTAQWGZ-HZPDHXFCSA-N	1	1	354.458	2.268	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000250705982	549643867	/nfs/dbraw/zinc/64/38/67/549643867.db2.gz	XZGRICKVSRHWJZ-SJORKVTESA-N	1	1	362.518	2.202	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3CCO)CC2)cc1	ZINC000251842218	549654210	/nfs/dbraw/zinc/65/42/10/549654210.db2.gz	OAQMYAZDCAOOBD-PMACEKPBSA-N	1	1	370.497	2.327	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C1	ZINC000255122222	549703989	/nfs/dbraw/zinc/70/39/89/549703989.db2.gz	LNCQPIDYUXWXJN-IXDOHACOSA-N	1	1	350.507	2.011	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1	ZINC000261678225	549742193	/nfs/dbraw/zinc/74/21/93/549742193.db2.gz	JSZFTGABMICSAH-KRWDZBQOSA-N	1	1	359.426	2.341	20	30		FEEDMO
CN1CCN(c2cc(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)ccn2)CC1	ZINC000261990229	549777764	/nfs/dbraw/zinc/77/77/64/549777764.db2.gz	LPCFMYHMINVYMM-UHFFFAOYSA-N	1	1	364.497	2.249	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)NC[C@H](C)[NH+]2CCN(C)CC2)cc1OC	ZINC000263730608	549927740	/nfs/dbraw/zinc/92/77/40/549927740.db2.gz	GZCCGVUYINUXGN-LKUPDRCFSA-N	1	1	373.497	2.025	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)NCCCCN1CC[NH+](CC)CC1	ZINC000264711071	550000431	/nfs/dbraw/zinc/00/04/31/550000431.db2.gz	JDXMVBKZAGXXAH-UHFFFAOYSA-N	1	1	374.529	2.468	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000265869195	550014835	/nfs/dbraw/zinc/01/48/35/550014835.db2.gz	VGLQKSBUSUZNFB-HZPDHXFCSA-N	1	1	351.491	2.422	20	30		FEEDMO
C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CCCSCC#N	ZINC000266691995	550023131	/nfs/dbraw/zinc/02/31/31/550023131.db2.gz	CLASAYOWUJXGQA-UHFFFAOYSA-N	1	1	356.513	2.438	20	30		FEEDMO
CO[C@H](C)c1noc(CO[NH+]=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C)n1	ZINC000266992912	550026674	/nfs/dbraw/zinc/02/66/74/550026674.db2.gz	BZEPKHVGWSOFEE-GHMZBOCLSA-N	1	1	371.438	2.069	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)NCC#Cc3ccccc3)CC2)nc(C)[nH+]1	ZINC000267312309	550029295	/nfs/dbraw/zinc/02/92/95/550029295.db2.gz	IJYYFLZVAGVLQO-UHFFFAOYSA-N	1	1	363.465	2.413	20	30		FEEDMO
COC(=O)c1cc(/C=C/C(=O)c2ccc(O)c(CN3CCOCC3)c2)c[nH]1	ZINC000267732393	550034271	/nfs/dbraw/zinc/03/42/71/550034271.db2.gz	DDNHIGWWFWDYLA-DUXPYHPUSA-N	1	1	370.405	2.235	20	30		FEEDMO
CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(C#N)c1	ZINC000268563373	550087642	/nfs/dbraw/zinc/08/76/42/550087642.db2.gz	OXIBXWAAHTWPHQ-SFHVURJKSA-N	1	1	355.463	2.453	20	30		FEEDMO
COc1ccc([C@@H](C#N)N2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)cc1	ZINC000492817533	561452903	/nfs/dbraw/zinc/45/29/03/561452903.db2.gz	KVHSRHYMFPQSKW-WOJBJXKFSA-N	1	1	368.481	2.031	20	30		FEEDMO
CC[C@H](O)C[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1	ZINC000269653495	550214272	/nfs/dbraw/zinc/21/42/72/550214272.db2.gz	MTRPHELRHVFPSR-FQEVSTJZSA-N	1	1	351.450	2.448	20	30		FEEDMO
CC[C@H](O)C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1	ZINC000269653495	550214274	/nfs/dbraw/zinc/21/42/74/550214274.db2.gz	MTRPHELRHVFPSR-FQEVSTJZSA-N	1	1	351.450	2.448	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1	ZINC000270666592	550294733	/nfs/dbraw/zinc/29/47/33/550294733.db2.gz	OGBFYNNPRRMQKH-LJQANCHMSA-N	1	1	373.497	2.460	20	30		FEEDMO
COc1cc(C[N@H+](CC(=O)N(CCC#N)CCC#N)C2CC2)ccc1O	ZINC000270687103	550296908	/nfs/dbraw/zinc/29/69/08/550296908.db2.gz	VPNSSZXOEQPXEM-UHFFFAOYSA-N	1	1	356.426	2.021	20	30		FEEDMO
COc1cc(C[N@@H+](CC(=O)N(CCC#N)CCC#N)C2CC2)ccc1O	ZINC000270687103	550296910	/nfs/dbraw/zinc/29/69/10/550296910.db2.gz	VPNSSZXOEQPXEM-UHFFFAOYSA-N	1	1	356.426	2.021	20	30		FEEDMO
CC(C)N1CC[NH+](C2CCN(C(=O)c3cccc(CC#N)c3)CC2)CC1	ZINC000270826085	550311227	/nfs/dbraw/zinc/31/12/27/550311227.db2.gz	BXTLUSSUIBJQLB-UHFFFAOYSA-N	1	1	354.498	2.383	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N(CCS(C)(=O)=O)C(C)C)C(C)C	ZINC000271023265	550332855	/nfs/dbraw/zinc/33/28/55/550332855.db2.gz	GLWDZDFNDBMKJV-KRWDZBQOSA-N	1	1	373.563	2.150	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@H](NC(N)=O)C3)c2)c1	ZINC000271415900	550374019	/nfs/dbraw/zinc/37/40/19/550374019.db2.gz	YLNVCABCNHKDKS-SFHVURJKSA-N	1	1	350.422	2.380	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)c1ccc(C#N)cc1C)CCC(F)(F)F	ZINC000494391994	561468606	/nfs/dbraw/zinc/46/86/06/561468606.db2.gz	JPLDYIDAGRPDIV-UHFFFAOYSA-N	1	1	363.405	2.419	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1ccc(C#N)cc1C)CCC(F)(F)F	ZINC000494391994	561468607	/nfs/dbraw/zinc/46/86/07/561468607.db2.gz	JPLDYIDAGRPDIV-UHFFFAOYSA-N	1	1	363.405	2.419	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)[C@@H]2C1	ZINC000272405830	550444461	/nfs/dbraw/zinc/44/44/61/550444461.db2.gz	KPWKEPLLETVURK-SMDDNHRTSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000272405824	550444816	/nfs/dbraw/zinc/44/48/16/550444816.db2.gz	KPQURQZRTKWBML-RDJZCZTQSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@@H](C(=O)N1CCC(C)(C#N)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000272578012	550458805	/nfs/dbraw/zinc/45/88/05/550458805.db2.gz	XLXPZAKLDMHODW-INIZCTEOSA-N	1	1	358.461	2.488	20	30		FEEDMO
C=CCNC(=O)C[N@H+](CCCn1ccnc1)Cc1ccc(OCC)cc1	ZINC000272675888	550464408	/nfs/dbraw/zinc/46/44/08/550464408.db2.gz	RDAFTEHIKUPNSA-UHFFFAOYSA-N	1	1	356.470	2.476	20	30		FEEDMO
C=CCS(=O)(=O)CCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1	ZINC000272829348	550472463	/nfs/dbraw/zinc/47/24/63/550472463.db2.gz	HNPIJCNRCUCKHK-UHFFFAOYSA-N	1	1	352.500	2.248	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000273072515	550483569	/nfs/dbraw/zinc/48/35/69/550483569.db2.gz	AFUKHNABMQHALL-DOTOQJQBSA-N	1	1	358.442	2.332	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1ccc(Br)cc1	ZINC000273105290	550485132	/nfs/dbraw/zinc/48/51/32/550485132.db2.gz	MYBLIITUNURBBL-GOEBONIOSA-N	1	1	368.275	2.127	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N(CCC#N)CCC#N	ZINC000274856977	550559800	/nfs/dbraw/zinc/55/98/00/550559800.db2.gz	SNZBKDXBQBEGQK-QUCCMNQESA-N	1	1	367.497	2.143	20	30		FEEDMO
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)CCC#N	ZINC000274856977	550559802	/nfs/dbraw/zinc/55/98/02/550559802.db2.gz	SNZBKDXBQBEGQK-QUCCMNQESA-N	1	1	367.497	2.143	20	30		FEEDMO
C=C(C)[C@H]([NH2+][C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(F)c1	ZINC000274860247	550560223	/nfs/dbraw/zinc/56/02/23/550560223.db2.gz	HXJSGRKYXAVCOE-MRRJBJDNSA-N	1	1	365.424	2.284	20	30		FEEDMO
Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000278230803	550763367	/nfs/dbraw/zinc/76/33/67/550763367.db2.gz	RODGNPHDVGOIAX-UHFFFAOYSA-N	1	1	364.405	2.270	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)cc(OC)c1O	ZINC000278562879	550799392	/nfs/dbraw/zinc/79/93/92/550799392.db2.gz	BDEOGTBFYPQELF-ROUUACIJSA-N	1	1	357.454	2.071	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c1	ZINC000278876922	550831698	/nfs/dbraw/zinc/83/16/98/550831698.db2.gz	MQPUARQKIGHWEV-LAUBAEHRSA-N	1	1	368.481	2.151	20	30		FEEDMO
COC(=O)C[C@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000279364489	550881903	/nfs/dbraw/zinc/88/19/03/550881903.db2.gz	HWYQRWVFRJPHOL-QGZVFWFLSA-N	1	1	353.426	2.386	20	30		FEEDMO
Cc1sc(NC(=O)CN(C)CC[N@@H+]2CCOC(C)(C)C2)c(C#N)c1C	ZINC000279721733	550921320	/nfs/dbraw/zinc/92/13/20/550921320.db2.gz	LVBBMRJGHJOTBA-UHFFFAOYSA-N	1	1	364.515	2.218	20	30		FEEDMO
Cc1sc(NC(=O)CN(C)CC[N@H+]2CCOC(C)(C)C2)c(C#N)c1C	ZINC000279721733	550921321	/nfs/dbraw/zinc/92/13/21/550921321.db2.gz	LVBBMRJGHJOTBA-UHFFFAOYSA-N	1	1	364.515	2.218	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)CC2)o1	ZINC000280056637	550956752	/nfs/dbraw/zinc/95/67/52/550956752.db2.gz	WOBAZNDWTZYXNB-AEFFLSMTSA-N	1	1	371.485	2.014	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)CC2)o1	ZINC000280056641	550956778	/nfs/dbraw/zinc/95/67/78/550956778.db2.gz	WOBAZNDWTZYXNB-WMZOPIPTSA-N	1	1	371.485	2.014	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)CC2)o1	ZINC000280056638	550956815	/nfs/dbraw/zinc/95/68/15/550956815.db2.gz	WOBAZNDWTZYXNB-FUHWJXTLSA-N	1	1	371.485	2.014	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](OCc2ccncc2)C1	ZINC000280976376	551051141	/nfs/dbraw/zinc/05/11/41/551051141.db2.gz	KWVFVOZOYRXAJC-AEFFLSMTSA-N	1	1	356.470	2.404	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](OCc2ccncc2)C1	ZINC000280976376	551051142	/nfs/dbraw/zinc/05/11/42/551051142.db2.gz	KWVFVOZOYRXAJC-AEFFLSMTSA-N	1	1	356.470	2.404	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO	ZINC000281232036	551076338	/nfs/dbraw/zinc/07/63/38/551076338.db2.gz	HVTBRDJAMACWNR-QGZVFWFLSA-N	1	1	353.422	2.346	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000281260600	551078852	/nfs/dbraw/zinc/07/88/52/551078852.db2.gz	VKTBFAGKKRDTCJ-LAUBAEHRSA-N	1	1	370.497	2.397	20	30		FEEDMO
C=CCN1CC[C@@H]([NH+]2CCC(c3nc(C(=O)OCC)cs3)CC2)C1=O	ZINC000281496350	551105271	/nfs/dbraw/zinc/10/52/71/551105271.db2.gz	XUMQICFUCDNJHU-OAHLLOKOSA-N	1	1	363.483	2.286	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1C	ZINC000281879441	551152380	/nfs/dbraw/zinc/15/23/80/551152380.db2.gz	TUKIRUSWJVCPGB-DOTOQJQBSA-N	1	1	355.442	2.356	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000497371601	561499597	/nfs/dbraw/zinc/49/95/97/561499597.db2.gz	QHAQHILSADHYMV-LPHOPBHVSA-N	1	1	370.497	2.191	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000497383654	561499908	/nfs/dbraw/zinc/49/99/08/561499908.db2.gz	DZYOSGQJHYBNFJ-MIALQEHNSA-N	1	1	364.534	2.446	20	30		FEEDMO
C=CCn1c(COc2ccc(C)cc2)nnc1N1CC[NH+](CCOC)CC1	ZINC000282739608	551265022	/nfs/dbraw/zinc/26/50/22/551265022.db2.gz	XWVLYFUEDFYBIR-UHFFFAOYSA-N	1	1	371.485	2.120	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c(F)c1	ZINC000283069518	551306670	/nfs/dbraw/zinc/30/66/70/551306670.db2.gz	XIJOLTXWPURYRQ-OLZOCXBDSA-N	1	1	363.408	2.121	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000283073474	551307492	/nfs/dbraw/zinc/30/74/92/551307492.db2.gz	UYIGODBTOMOTSZ-FUHWJXTLSA-N	1	1	364.515	2.062	20	30		FEEDMO
N#Cc1cc(NC(=O)NCC[N@H+]2CCCOCC2)ccc1OC(F)(F)F	ZINC000283124191	551315278	/nfs/dbraw/zinc/31/52/78/551315278.db2.gz	YPWWHTIAGUFBLQ-UHFFFAOYSA-N	1	1	372.347	2.301	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C	ZINC000283221052	551331276	/nfs/dbraw/zinc/33/12/76/551331276.db2.gz	QVRRNJBMGGNFQP-UHFFFAOYSA-N	1	1	368.485	2.148	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)C1	ZINC000283616922	551397785	/nfs/dbraw/zinc/39/77/85/551397785.db2.gz	VVWYNGRDUIGLAU-KRWDZBQOSA-N	1	1	368.485	2.434	20	30		FEEDMO
Cc1onc(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1C#N	ZINC000498514342	561526548	/nfs/dbraw/zinc/52/65/48/561526548.db2.gz	OEVLSOVLTJAYSH-AWEZNQCLSA-N	1	1	358.467	2.487	20	30		FEEDMO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C)C1	ZINC000284769186	551628641	/nfs/dbraw/zinc/62/86/41/551628641.db2.gz	GZRQURBJJRFGJK-RYUDHWBXSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C)C1	ZINC000284769186	551628643	/nfs/dbraw/zinc/62/86/43/551628643.db2.gz	GZRQURBJJRFGJK-RYUDHWBXSA-N	1	1	368.384	2.078	20	30		FEEDMO
CCCCCC(=O)NC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000498643028	561530966	/nfs/dbraw/zinc/53/09/66/561530966.db2.gz	AXEWNZGGDLUZQG-LJQANCHMSA-N	1	1	350.507	2.202	20	30		FEEDMO
N#Cc1cc2c(nc1NCCCN1CCN(c3cc[nH+]cc3)CC1)CCC2	ZINC000498691005	561532066	/nfs/dbraw/zinc/53/20/66/561532066.db2.gz	SRZILNFRGDCVIH-UHFFFAOYSA-N	1	1	362.481	2.461	20	30		FEEDMO
COC(=O)c1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc1	ZINC000285342827	551740981	/nfs/dbraw/zinc/74/09/81/551740981.db2.gz	YNOXDEWZCWOHIM-UHFFFAOYSA-N	1	1	364.449	2.448	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)[C@@H]2C1	ZINC000285734628	551802968	/nfs/dbraw/zinc/80/29/68/551802968.db2.gz	GRMBDRRHMPWPJR-OXJNMPFZSA-N	1	1	370.472	2.466	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1	ZINC000285771099	551808292	/nfs/dbraw/zinc/80/82/92/551808292.db2.gz	GNRWRYCNQKCIRI-IBGZPJMESA-N	1	1	357.498	2.438	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)C1CC1	ZINC000286189085	551859084	/nfs/dbraw/zinc/85/90/84/551859084.db2.gz	XLCAFJCSVRAORF-XODKDNOYSA-N	1	1	353.466	2.299	20	30		FEEDMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCCCC#N	ZINC000286685650	551914714	/nfs/dbraw/zinc/91/47/14/551914714.db2.gz	IZBWEUITDLODCB-IBGZPJMESA-N	1	1	370.497	2.167	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1	ZINC000286763691	551923568	/nfs/dbraw/zinc/92/35/68/551923568.db2.gz	ZLSMNACPJAEINK-KBPBESRZSA-N	1	1	358.360	2.438	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1	ZINC000287681955	552033834	/nfs/dbraw/zinc/03/38/34/552033834.db2.gz	CDUCEIBCDCPWOR-LLVKDONJSA-N	1	1	368.359	2.068	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1	ZINC000287681955	552033836	/nfs/dbraw/zinc/03/38/36/552033836.db2.gz	CDUCEIBCDCPWOR-LLVKDONJSA-N	1	1	368.359	2.068	20	30		FEEDMO
C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C1=CC[N@@H+](C)CC1	ZINC000287994827	552072586	/nfs/dbraw/zinc/07/25/86/552072586.db2.gz	VJJPXARAEPIUAV-RHSMWYFYSA-N	1	1	356.445	2.290	20	30		FEEDMO
C=CCN1CC[C@@H](N[C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1=O	ZINC000499601824	561554329	/nfs/dbraw/zinc/55/43/29/561554329.db2.gz	FSCOHBUYDIVTFH-QFBILLFUSA-N	1	1	374.504	2.405	20	30		FEEDMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000288187127	552106639	/nfs/dbraw/zinc/10/66/39/552106639.db2.gz	BFTPKKAHFRAIAP-IRXDYDNUSA-N	1	1	358.461	2.324	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](CCO)Cc2cccc(Br)c2)C1=O	ZINC000499717305	561556884	/nfs/dbraw/zinc/55/68/84/561556884.db2.gz	FGGHTEQCMZHKKG-HNNXBMFYSA-N	1	1	353.260	2.030	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](CCO)Cc2cccc(Br)c2)C1=O	ZINC000499717305	561556885	/nfs/dbraw/zinc/55/68/85/561556885.db2.gz	FGGHTEQCMZHKKG-HNNXBMFYSA-N	1	1	353.260	2.030	20	30		FEEDMO
Cn1cnc2c1nccc2C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000289042372	552256757	/nfs/dbraw/zinc/25/67/57/552256757.db2.gz	KLCVETZLDYJMAO-UHFFFAOYSA-N	1	1	374.448	2.188	20	30		FEEDMO
Cn1cnc2c1nccc2C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000289042372	552256758	/nfs/dbraw/zinc/25/67/58/552256758.db2.gz	KLCVETZLDYJMAO-UHFFFAOYSA-N	1	1	374.448	2.188	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O	ZINC000500351192	561570528	/nfs/dbraw/zinc/57/05/28/561570528.db2.gz	BHNUOHPRVASAAX-UAFMIMERSA-N	1	1	361.482	2.017	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN([C@H](C#N)c3ccccc3)CC1)C2	ZINC000289370649	552309529	/nfs/dbraw/zinc/30/95/29/552309529.db2.gz	ARKZBWFXYJVVAI-UYAOXDASSA-N	1	1	363.465	2.163	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000289629926	552352469	/nfs/dbraw/zinc/35/24/69/552352469.db2.gz	ZPRUDNQACSOQOD-BEFAXECRSA-N	1	1	370.478	2.142	20	30		FEEDMO
Cc1cc(CNS(=O)(=O)Cc2cccc(C#N)c2)cc(N2CCCC2)[nH+]1	ZINC000290217863	552444146	/nfs/dbraw/zinc/44/41/46/552444146.db2.gz	VXUNNYPICKAGDB-UHFFFAOYSA-N	1	1	370.478	2.482	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(OC)c1	ZINC000292147861	552698440	/nfs/dbraw/zinc/69/84/40/552698440.db2.gz	NEANFMYYSNLOKG-RXVVDRJESA-N	1	1	360.498	2.191	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(OC)c1	ZINC000292147861	552698441	/nfs/dbraw/zinc/69/84/41/552698441.db2.gz	NEANFMYYSNLOKG-RXVVDRJESA-N	1	1	360.498	2.191	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292292418	552712923	/nfs/dbraw/zinc/71/29/23/552712923.db2.gz	UHCOBFNNVRPKTQ-DOTOQJQBSA-N	1	1	367.453	2.138	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292292418	552712924	/nfs/dbraw/zinc/71/29/24/552712924.db2.gz	UHCOBFNNVRPKTQ-DOTOQJQBSA-N	1	1	367.453	2.138	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3N3CCOCC3)C2)nc1	ZINC000292702902	552750969	/nfs/dbraw/zinc/75/09/69/552750969.db2.gz	COEFDRTVPBZICJ-LJQANCHMSA-N	1	1	364.449	2.443	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1	ZINC000293351722	552814178	/nfs/dbraw/zinc/81/41/78/552814178.db2.gz	XPJNTWZUKIVABA-FQEVSTJZSA-N	1	1	357.454	2.134	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1	ZINC000293535923	552833092	/nfs/dbraw/zinc/83/30/92/552833092.db2.gz	OCBQNLQORWYKRY-KFWWJZLASA-N	1	1	374.510	2.428	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1	ZINC000293535923	552833094	/nfs/dbraw/zinc/83/30/94/552833094.db2.gz	OCBQNLQORWYKRY-KFWWJZLASA-N	1	1	374.510	2.428	20	30		FEEDMO
CO[C@@H]1COCC[C@@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000294480236	552909555	/nfs/dbraw/zinc/90/95/55/552909555.db2.gz	QQRXIUOODJWQBM-WOJBJXKFSA-N	1	1	371.481	2.034	20	30		FEEDMO
C[C@@H](CCN1CC[NH+](C)CC1)Nc1ncc(Br)cc1C#N	ZINC000295052226	552954494	/nfs/dbraw/zinc/95/44/94/552954494.db2.gz	OSGXSAISOTZXHR-LBPRGKRZSA-N	1	1	352.280	2.154	20	30		FEEDMO
C=CCn1c(C(=O)N2CCCC2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000295896295	553072855	/nfs/dbraw/zinc/07/28/55/553072855.db2.gz	IEQPVHITVMFXIN-INIZCTEOSA-N	1	1	372.517	2.011	20	30		FEEDMO
CC1(C)C[C@H](O)CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000295988644	553085520	/nfs/dbraw/zinc/08/55/20/553085520.db2.gz	JTEZQOKOPLGFDI-QGZVFWFLSA-N	1	1	367.453	2.165	20	30		FEEDMO
CC1(C)C[C@H](O)CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000295988644	553085524	/nfs/dbraw/zinc/08/55/24/553085524.db2.gz	JTEZQOKOPLGFDI-QGZVFWFLSA-N	1	1	367.453	2.165	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1	ZINC000296169123	553115776	/nfs/dbraw/zinc/11/57/76/553115776.db2.gz	NLBXZNMQKCTNAM-QUCCMNQESA-N	1	1	356.466	2.383	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1	ZINC000296264049	553131506	/nfs/dbraw/zinc/13/15/06/553131506.db2.gz	CCTCFOVIAMUMEE-CQSZACIVSA-N	1	1	373.432	2.499	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1	ZINC000296841940	553219082	/nfs/dbraw/zinc/21/90/82/553219082.db2.gz	JHPZQOJJPUMZHS-QGZVFWFLSA-N	1	1	357.502	2.064	20	30		FEEDMO
Cc1nsc(NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N	ZINC000297343389	553280970	/nfs/dbraw/zinc/28/09/70/553280970.db2.gz	FIBQUKTVCPUPKZ-MBNYWOFBSA-N	1	1	363.487	2.429	20	30		FEEDMO
Cc1nsc(NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N	ZINC000297343389	553280971	/nfs/dbraw/zinc/28/09/71/553280971.db2.gz	FIBQUKTVCPUPKZ-MBNYWOFBSA-N	1	1	363.487	2.429	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000297703886	553327483	/nfs/dbraw/zinc/32/74/83/553327483.db2.gz	CCTYCNGSTFPBHP-KDURUIRLSA-N	1	1	355.482	2.001	20	30		FEEDMO
CC(C)(C)OC(=O)NCC1(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)CC1	ZINC000297958776	553362602	/nfs/dbraw/zinc/36/26/02/553362602.db2.gz	WHQMDHNOILTJTI-UHFFFAOYSA-N	1	1	371.485	2.380	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)c1	ZINC000503323876	561639474	/nfs/dbraw/zinc/63/94/74/561639474.db2.gz	FQVMDNJWNRDMMK-UHFFFAOYSA-N	1	1	357.454	2.277	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1	ZINC000298279048	553407336	/nfs/dbraw/zinc/40/73/36/553407336.db2.gz	MQEXKIPIKHHWCL-UHFFFAOYSA-N	1	1	369.490	2.426	20	30		FEEDMO
C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1	ZINC000298333853	553413548	/nfs/dbraw/zinc/41/35/48/553413548.db2.gz	ZVUDKMOTLHBYJS-INIZCTEOSA-N	1	1	374.481	2.483	20	30		FEEDMO
C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1	ZINC000298333853	553413549	/nfs/dbraw/zinc/41/35/49/553413549.db2.gz	ZVUDKMOTLHBYJS-INIZCTEOSA-N	1	1	374.481	2.483	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C(C)(C)C(N)=O)sc2C1	ZINC000298459148	553427327	/nfs/dbraw/zinc/42/73/27/553427327.db2.gz	RNMHFWWHLGSISY-NSHDSACASA-N	1	1	362.499	2.269	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)C(C)(C)C(N)=O)sc2C1	ZINC000298459137	553427352	/nfs/dbraw/zinc/42/73/52/553427352.db2.gz	RNMHFWWHLGSISY-LLVKDONJSA-N	1	1	362.499	2.269	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)[C@H](C)c1ccc(C#N)cc1	ZINC000299007333	553502532	/nfs/dbraw/zinc/50/25/32/553502532.db2.gz	CEWCZWVLLYEJCM-MRXNPFEDSA-N	1	1	368.481	2.022	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000299428189	553561692	/nfs/dbraw/zinc/56/16/92/553561692.db2.gz	HKFQEYDSFZGZFM-OALUTQOASA-N	1	1	356.470	2.343	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N(Cc2ccco2)Cc2ccccc2)CC1	ZINC000299623599	553590544	/nfs/dbraw/zinc/59/05/44/553590544.db2.gz	JPULPMAXDUJGAV-UHFFFAOYSA-N	1	1	365.477	2.449	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ccc([N+](=O)[O-])cc1C#N	ZINC000301280376	553638730	/nfs/dbraw/zinc/63/87/30/553638730.db2.gz	KHNRYXQWYHBKRD-OAHLLOKOSA-N	1	1	366.425	2.484	20	30		FEEDMO
C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1)C1CC1	ZINC000505244157	561668639	/nfs/dbraw/zinc/66/86/39/561668639.db2.gz	GVBAOTGXNCQCOE-UHFFFAOYSA-N	1	1	368.481	2.414	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)ncc1C#N	ZINC000603117989	553711882	/nfs/dbraw/zinc/71/18/82/553711882.db2.gz	FIYHTJFMQQWRGS-UHFFFAOYSA-N	1	1	370.501	2.284	20	30		FEEDMO
Cc1cc(NC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ncc1C#N	ZINC000603119123	553712552	/nfs/dbraw/zinc/71/25/52/553712552.db2.gz	XBDMEIWKJPQWSK-CALCHBBNSA-N	1	1	370.501	2.284	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)C[N@H+]1C1CC1	ZINC000328604734	553795054	/nfs/dbraw/zinc/79/50/54/553795054.db2.gz	IVWBSACMMMROFU-VKJFTORMSA-N	1	1	362.518	2.439	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000328609473	553795675	/nfs/dbraw/zinc/79/56/75/553795675.db2.gz	MTZYILOXVBPPTO-NUJGCVRESA-N	1	1	351.491	2.067	20	30		FEEDMO
C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCOC[C@@H](C)C1	ZINC000328703030	553809702	/nfs/dbraw/zinc/80/97/02/553809702.db2.gz	XPQQMXJBNCZPPW-QWHCGFSZSA-N	1	1	363.414	2.317	20	30		FEEDMO
CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(Cc3ccncc3)CC2)C1	ZINC000328729331	553813380	/nfs/dbraw/zinc/81/33/80/553813380.db2.gz	WBNMXKDOHLCRFM-GOSISDBHSA-N	1	1	359.518	2.282	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN(Cc3ccncc3)CC2)C1	ZINC000328729331	553813382	/nfs/dbraw/zinc/81/33/82/553813382.db2.gz	WBNMXKDOHLCRFM-GOSISDBHSA-N	1	1	359.518	2.282	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)CC2CCCCC2)CC1	ZINC000328758355	553817672	/nfs/dbraw/zinc/81/76/72/553817672.db2.gz	VVTFQPVZWCDBCY-KRWDZBQOSA-N	1	1	350.507	2.109	20	30		FEEDMO
CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)NC2CCCC2)cc[nH+]1	ZINC000328819301	553827162	/nfs/dbraw/zinc/82/71/62/553827162.db2.gz	DUHBDDPBDMBEPG-ZFWWWQNUSA-N	1	1	364.469	2.248	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)Nc1nc2c(s1)CCC2	ZINC000328835700	553830229	/nfs/dbraw/zinc/83/02/29/553830229.db2.gz	SJJHTLLDIKOBCE-YUTCNCBUSA-N	1	1	351.472	2.082	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O)Nc1nc2c(s1)CCC2	ZINC000328835700	553830232	/nfs/dbraw/zinc/83/02/32/553830232.db2.gz	SJJHTLLDIKOBCE-YUTCNCBUSA-N	1	1	351.472	2.082	20	30		FEEDMO
N#C[C@@H]1CC[C@H]([NH+]2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)C1	ZINC000328873204	553836503	/nfs/dbraw/zinc/83/65/03/553836503.db2.gz	YUDPSIPBEGKCQV-QHAWAJNXSA-N	1	1	366.509	2.487	20	30		FEEDMO
CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC12CCCCC2	ZINC000328963280	553854207	/nfs/dbraw/zinc/85/42/07/553854207.db2.gz	LKJVPOBVEGEIOQ-DOTOQJQBSA-N	1	1	350.507	2.250	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+](C)Cc1cnc(N(C)C)nc1	ZINC000506052287	561688805	/nfs/dbraw/zinc/68/88/05/561688805.db2.gz	SITHGZPASLMKKL-SFHVURJKSA-N	1	1	356.470	2.143	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)Cc1cnc(N(C)C)nc1	ZINC000506052287	561688806	/nfs/dbraw/zinc/68/88/06/561688806.db2.gz	SITHGZPASLMKKL-SFHVURJKSA-N	1	1	356.470	2.143	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)C1	ZINC000329045365	553870882	/nfs/dbraw/zinc/87/08/82/553870882.db2.gz	JIMQMQNERFBYOX-AJYBTWMASA-N	1	1	367.534	2.130	20	30		FEEDMO
C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000329108375	553882244	/nfs/dbraw/zinc/88/22/44/553882244.db2.gz	FPFWIXBZOGMCFO-XJKSGUPXSA-N	1	1	351.447	2.086	20	30		FEEDMO
C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000329108375	553882245	/nfs/dbraw/zinc/88/22/45/553882245.db2.gz	FPFWIXBZOGMCFO-XJKSGUPXSA-N	1	1	351.447	2.086	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O	ZINC000329143915	553888540	/nfs/dbraw/zinc/88/85/40/553888540.db2.gz	VWKLXFWMSXKCOX-ZMIKWESLSA-N	1	1	367.534	2.273	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(C4CCCCC4)C3)CC[C@@H]21	ZINC000329161109	553892439	/nfs/dbraw/zinc/89/24/39/553892439.db2.gz	YSNDCXRDQHZTQN-NUJGCVRESA-N	1	1	362.518	2.250	20	30		FEEDMO
Cc1cnn(CC2CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)c1	ZINC000329171565	553894875	/nfs/dbraw/zinc/89/48/75/553894875.db2.gz	KOXOXBSPQZYCJW-UHFFFAOYSA-N	1	1	359.518	2.487	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC(=O)N(c3ccccc3Cl)C2)C1	ZINC000329181171	553896784	/nfs/dbraw/zinc/89/67/84/553896784.db2.gz	DQIASKOOQWBLHW-KBPBESRZSA-N	1	1	364.877	2.433	20	30		FEEDMO
C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)N1CCSCC1	ZINC000329209592	553902641	/nfs/dbraw/zinc/90/26/41/553902641.db2.gz	YLRRMPRQZMKNAS-YQQAZPJKSA-N	1	1	365.547	2.197	20	30		FEEDMO
CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1CN1C(=O)CCC1=O	ZINC000329250084	553911332	/nfs/dbraw/zinc/91/13/32/553911332.db2.gz	AXNUWQRSDQBHDE-QGZVFWFLSA-N	1	1	372.469	2.153	20	30		FEEDMO
CN(C)C(=O)C1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1	ZINC000329268887	553913980	/nfs/dbraw/zinc/91/39/80/553913980.db2.gz	DXMULZJLVBHZNZ-QGZVFWFLSA-N	1	1	359.470	2.102	20	30		FEEDMO
Cc1ccsc1CCNC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1	ZINC000329277540	553915704	/nfs/dbraw/zinc/91/57/04/553915704.db2.gz	JIJNFDUKAFCRKV-UHFFFAOYSA-N	1	1	361.515	2.454	20	30		FEEDMO
Cc1ccsc1CCNC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1	ZINC000329277540	553915705	/nfs/dbraw/zinc/91/57/05/553915705.db2.gz	JIJNFDUKAFCRKV-UHFFFAOYSA-N	1	1	361.515	2.454	20	30		FEEDMO
C[C@H](NC(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O)C1=CC[N@@H+](C)CC1	ZINC000329299867	553920447	/nfs/dbraw/zinc/92/04/47/553920447.db2.gz	MGBMGFFZWRUWQC-RLFYNMQTSA-N	1	1	356.470	2.334	20	30		FEEDMO
O=C(NCc1cccc(CN2CCCC2=O)c1)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000329327155	553925863	/nfs/dbraw/zinc/92/58/63/553925863.db2.gz	XBDNNAOUMVKIBE-QGZVFWFLSA-N	1	1	356.470	2.049	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000329351333	553929747	/nfs/dbraw/zinc/92/97/47/553929747.db2.gz	XDEVMPOQULRDKU-HCXYKTFWSA-N	1	1	367.534	2.273	20	30		FEEDMO
Cc1nc([C@@H]2CCCN2C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)no1	ZINC000329386458	553936670	/nfs/dbraw/zinc/93/66/70/553936670.db2.gz	PSSTZONKHJNQIN-HOTGVXAUSA-N	1	1	365.478	2.176	20	30		FEEDMO
CO[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC[C@@H]1C	ZINC000329432857	553945957	/nfs/dbraw/zinc/94/59/57/553945957.db2.gz	IHXBKHXVFFIIHW-CWLKWCNXSA-N	1	1	363.506	2.074	20	30		FEEDMO
C[C@@H]1N(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCOC1(C)C	ZINC000329452131	553949872	/nfs/dbraw/zinc/94/98/72/553949872.db2.gz	LTFCCGMRBJIYRJ-YQQAZPJKSA-N	1	1	363.506	2.216	20	30		FEEDMO
CC(C)(CNC(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)[N@H+]1CCc2ccccc2C1	ZINC000329493856	553957320	/nfs/dbraw/zinc/95/73/20/553957320.db2.gz	CYGZUVXYFXHBAU-FHWLQOOXSA-N	1	1	357.498	2.440	20	30		FEEDMO
CCn1cc([C@H]2OCC[C@@H]2NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1	ZINC000329527275	553962165	/nfs/dbraw/zinc/96/21/65/553962165.db2.gz	UEVJGYMOEFACPZ-VQTPCSAVSA-N	1	1	361.490	2.204	20	30		FEEDMO
O=C(Nc1ccccc1C[NH+]1CCSCC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1	ZINC000329582031	553971297	/nfs/dbraw/zinc/97/12/97/553971297.db2.gz	VHPAIUYITAGQRD-LESCRADOSA-N	1	1	361.511	2.484	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3nccn3Cc3ccccc3)[C@@H]2C1	ZINC000329588624	553972558	/nfs/dbraw/zinc/97/25/58/553972558.db2.gz	YZKKXRYVRYCCAN-RTBURBONSA-N	1	1	367.497	2.414	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2ccc3c(C)nn(C)c3c2)C[C@H]1[NH+]1CCOCC1	ZINC000329610431	553976148	/nfs/dbraw/zinc/97/61/48/553976148.db2.gz	JKKPIWBLYWUZEO-DNVCBOLYSA-N	1	1	371.485	2.470	20	30		FEEDMO
Cc1cc(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nc(C)n1	ZINC000329611485	553976791	/nfs/dbraw/zinc/97/67/91/553976791.db2.gz	RKIGIIMKWSADGW-UHFFFAOYSA-N	1	1	353.426	2.117	20	30		FEEDMO
COCC1(O)CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1	ZINC000329710475	553993044	/nfs/dbraw/zinc/99/30/44/553993044.db2.gz	NSNIAWPFBGCRQE-HZPDHXFCSA-N	1	1	353.507	2.027	20	30		FEEDMO
C[C@@H]1C[C@H](CCNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CCO1	ZINC000329764941	554001928	/nfs/dbraw/zinc/00/19/28/554001928.db2.gz	WJSMCDRPZWJRMT-KURKYZTESA-N	1	1	353.507	2.292	20	30		FEEDMO
O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000329770666	554002952	/nfs/dbraw/zinc/00/29/52/554002952.db2.gz	IZEGFCNXISVBBV-FVQBIDKESA-N	1	1	363.893	2.444	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000329786187	554005388	/nfs/dbraw/zinc/00/53/88/554005388.db2.gz	XPZUIPVZELQCBI-FMKPAKJESA-N	1	1	359.518	2.482	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)C1	ZINC000329792314	554006793	/nfs/dbraw/zinc/00/67/93/554006793.db2.gz	FKCPTRGCAVAWAA-MSOLQXFVSA-N	1	1	364.534	2.213	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C[C@@H]1C	ZINC000329796238	554007344	/nfs/dbraw/zinc/00/73/44/554007344.db2.gz	WUGVBUMQACOUDM-YESZJQIVSA-N	1	1	353.507	2.169	20	30		FEEDMO
C[C@@H]1CC(CNC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C[C@@H](C)O1	ZINC000329808068	554009590	/nfs/dbraw/zinc/00/95/90/554009590.db2.gz	PDIWENLTVUWKNZ-HZPDHXFCSA-N	1	1	355.523	2.394	20	30		FEEDMO
C[C@H](CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1	ZINC000329806635	554009647	/nfs/dbraw/zinc/00/96/47/554009647.db2.gz	OCLAAJQGFDCOHX-MJGOQNOKSA-N	1	1	372.513	2.333	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncnc4sccc43)CC2)CC[N@H+]1C	ZINC000329815293	554011109	/nfs/dbraw/zinc/01/11/09/554011109.db2.gz	VDNOGGFNSLLOET-ZIAGYGMSSA-N	1	1	374.514	2.210	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NC2CCC(C(=O)NC)CC2)C[C@@H]1[NH+]1CCOCC1	ZINC000329833779	554014983	/nfs/dbraw/zinc/01/49/83/554014983.db2.gz	KWRGVZNGCKRLOB-VXLLPVPCSA-N	1	1	366.506	2.088	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C)O1	ZINC000329906628	554029111	/nfs/dbraw/zinc/02/91/11/554029111.db2.gz	KGNQNDNYGTWUSD-HWMZRRJGSA-N	1	1	353.507	2.288	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000507320491	561724842	/nfs/dbraw/zinc/72/48/42/561724842.db2.gz	AGFQJYXKRLWUDL-HNAYVOBHSA-N	1	1	351.491	2.342	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCc2c[nH]nc2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329921382	554032147	/nfs/dbraw/zinc/03/21/47/554032147.db2.gz	SPWNXIDQXHVQHH-CEXWTWQISA-N	1	1	365.481	2.245	20	30		FEEDMO
O=C(N[C@@H]1CCc2c[nH]nc2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329921382	554032150	/nfs/dbraw/zinc/03/21/50/554032150.db2.gz	SPWNXIDQXHVQHH-CEXWTWQISA-N	1	1	365.481	2.245	20	30		FEEDMO
O=C(N[C@@H]1CCc2c[nH]nc2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329921382	554032151	/nfs/dbraw/zinc/03/21/51/554032151.db2.gz	SPWNXIDQXHVQHH-CEXWTWQISA-N	1	1	365.481	2.245	20	30		FEEDMO
[O-]C(=[NH+][C@H]1CCc2c[nH]nc2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329921384	554032387	/nfs/dbraw/zinc/03/23/87/554032387.db2.gz	SPWNXIDQXHVQHH-OTWHNJEPSA-N	1	1	365.481	2.245	20	30		FEEDMO
O=C(N[C@H]1CCc2c[nH]nc2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329921384	554032390	/nfs/dbraw/zinc/03/23/90/554032390.db2.gz	SPWNXIDQXHVQHH-OTWHNJEPSA-N	1	1	365.481	2.245	20	30		FEEDMO
O=C(N[C@H]1CCc2c[nH]nc2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329921384	554032391	/nfs/dbraw/zinc/03/23/91/554032391.db2.gz	SPWNXIDQXHVQHH-OTWHNJEPSA-N	1	1	365.481	2.245	20	30		FEEDMO
CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000507357809	561726153	/nfs/dbraw/zinc/72/61/53/561726153.db2.gz	JQSJSZOCTGESLG-MRXNPFEDSA-N	1	1	370.497	2.047	20	30		FEEDMO
CC[C@@H]1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)O1	ZINC000329962003	554039913	/nfs/dbraw/zinc/03/99/13/554039913.db2.gz	SLRLUQSUNNNMPP-XQLPTFJDSA-N	1	1	365.453	2.374	20	30		FEEDMO
Cc1cccc2c1OCC[C@H]2NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000329965329	554040528	/nfs/dbraw/zinc/04/05/28/554040528.db2.gz	RADIFNGPBDPBCN-FUHWJXTLSA-N	1	1	360.502	2.348	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)C1	ZINC000329968484	554040893	/nfs/dbraw/zinc/04/08/93/554040893.db2.gz	WCVSSQVUGWKNIM-IPMKNSEASA-N	1	1	361.486	2.439	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)C1	ZINC000329986785	554044492	/nfs/dbraw/zinc/04/44/92/554044492.db2.gz	FPTRFSQGFAGQLB-VQIMIIECSA-N	1	1	353.507	2.148	20	30		FEEDMO
CN(C)c1ncn(-c2cccc(NC(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)c2)n1	ZINC000330004037	554047966	/nfs/dbraw/zinc/04/79/66/554047966.db2.gz	CFTUFZSZBQDVLS-HNNXBMFYSA-N	1	1	371.489	2.152	20	30		FEEDMO
O=C(N[C@H]1CC[S@@](=O)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000330007254	554048397	/nfs/dbraw/zinc/04/83/97/554048397.db2.gz	DKHOURYXMPQCRU-FYSMJZIKSA-N	1	1	369.918	2.329	20	30		FEEDMO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CCC[N@@H+](CC)CC2)cn1	ZINC000330126279	554069504	/nfs/dbraw/zinc/06/95/04/554069504.db2.gz	BZVLXEVQKPOIBB-WBVHZDCISA-N	1	1	362.478	2.005	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2	ZINC000330136122	554071773	/nfs/dbraw/zinc/07/17/73/554071773.db2.gz	NBUJHLMZYMJPSS-BBWFWOEESA-N	1	1	373.501	2.121	20	30		FEEDMO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cn1	ZINC000330181156	554079666	/nfs/dbraw/zinc/07/96/66/554079666.db2.gz	GLJLQRHVJMGYFN-AYBZRNKSSA-N	1	1	374.489	2.005	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)N[C@@H]2CCCOC2)[C@@H]1c1cnn(C)c1	ZINC000330187478	554080734	/nfs/dbraw/zinc/08/07/34/554080734.db2.gz	SZMHJMAPQXIUEK-CGTJXYLNSA-N	1	1	363.506	2.218	20	30		FEEDMO
O=C(NCc1cccc(N2CCCS2(=O)=O)c1)[C@H]1CCC[N@H+]1C1CC1	ZINC000330215405	554086678	/nfs/dbraw/zinc/08/66/78/554086678.db2.gz	GZWIVLGZHWDTGQ-QGZVFWFLSA-N	1	1	363.483	2.310	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)C[C@H]1[NH+]1CCOCC1	ZINC000330256166	554094169	/nfs/dbraw/zinc/09/41/69/554094169.db2.gz	KKGZMKQTMQGFIL-XMTFNYHQSA-N	1	1	353.507	2.004	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2ccc(C)c3c[nH]nc32)C[C@@H]1[NH+]1CCOCC1	ZINC000330258450	554094484	/nfs/dbraw/zinc/09/44/84/554094484.db2.gz	MKJQSLZBCYCEEC-YOEHRIQHSA-N	1	1	357.458	2.459	20	30		FEEDMO
Cc1nc([C@H]2CN(C(=O)NCC3([NH+](C)C)CCCCCC3)CCO2)n[nH]1	ZINC000330306513	554102581	/nfs/dbraw/zinc/10/25/81/554102581.db2.gz	RNNCFOSKGCLHAV-OAHLLOKOSA-N	1	1	364.494	2.055	20	30		FEEDMO
CCN1C(=O)CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC)[C@@H]1c1cnn(C)c1	ZINC000330310939	554103701	/nfs/dbraw/zinc/10/37/01/554103701.db2.gz	VJVIUSIIRXKIRE-NUJGCVRESA-N	1	1	361.490	2.161	20	30		FEEDMO
COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1	ZINC000330487674	554127793	/nfs/dbraw/zinc/12/77/93/554127793.db2.gz	HUFVGPXKMGRHAX-LSDHHAIUSA-N	1	1	361.442	2.239	20	30		FEEDMO
COC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1	ZINC000330487674	554127794	/nfs/dbraw/zinc/12/77/94/554127794.db2.gz	HUFVGPXKMGRHAX-LSDHHAIUSA-N	1	1	361.442	2.239	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1F	ZINC000330712903	554161969	/nfs/dbraw/zinc/16/19/69/554161969.db2.gz	WNGUZVYYHRESPJ-VXGBXAGGSA-N	1	1	357.401	2.296	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1F	ZINC000330712903	554161970	/nfs/dbraw/zinc/16/19/70/554161970.db2.gz	WNGUZVYYHRESPJ-VXGBXAGGSA-N	1	1	357.401	2.296	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2csc(S(N)(=O)=O)c2)C1	ZINC000330740881	554165546	/nfs/dbraw/zinc/16/55/46/554165546.db2.gz	RHCNUKNSKYGOLS-TXEJJXNPSA-N	1	1	359.517	2.068	20	30		FEEDMO
COC(=O)CCc1csc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)n1	ZINC000330746074	554166391	/nfs/dbraw/zinc/16/63/91/554166391.db2.gz	FOWAKKGBNWDDEZ-CYBMUJFWSA-N	1	1	354.476	2.066	20	30		FEEDMO
CN(C1CCCCC1)S(=O)(=O)N1CC[NH+](CCCC(C)(C)C#N)CC1	ZINC000330965141	554195255	/nfs/dbraw/zinc/19/52/55/554195255.db2.gz	AQNCCFAJEWGHHN-UHFFFAOYSA-N	1	1	370.563	2.443	20	30		FEEDMO
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1	ZINC000330977795	554196013	/nfs/dbraw/zinc/19/60/13/554196013.db2.gz	IBAOAQLDGQYVNK-ILXRZTDVSA-N	1	1	365.522	2.308	20	30		FEEDMO
CC(C)=CCNC(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1	ZINC000330977353	554196369	/nfs/dbraw/zinc/19/63/69/554196369.db2.gz	FPLDYOLZHPIMHL-GJZGRUSLSA-N	1	1	364.469	2.271	20	30		FEEDMO
Cc1oc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1S(=O)(=O)N(C)C	ZINC000330997568	554199212	/nfs/dbraw/zinc/19/92/12/554199212.db2.gz	VCHKAMXDLWCUDN-UHFFFAOYSA-N	1	1	371.503	2.265	20	30		FEEDMO
CN(C)S(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1	ZINC000331006712	554199999	/nfs/dbraw/zinc/19/99/99/554199999.db2.gz	XTRUVOBQGHMKPX-UHFFFAOYSA-N	1	1	367.515	2.364	20	30		FEEDMO
CCS(=O)(=O)c1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)s1	ZINC000331012848	554200786	/nfs/dbraw/zinc/20/07/86/554200786.db2.gz	SUDPXDCMKYYIPK-AWEZNQCLSA-N	1	1	373.544	2.228	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)C1	ZINC000331118790	554215977	/nfs/dbraw/zinc/21/59/77/554215977.db2.gz	LNCNCVGLENIDCX-YESZJQIVSA-N	1	1	352.523	2.257	20	30		FEEDMO
C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1	ZINC000331241564	554235220	/nfs/dbraw/zinc/23/52/20/554235220.db2.gz	JZZADGHQMOQDPA-VYDXJSESSA-N	1	1	373.563	2.451	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](CNC(N)=O)C1	ZINC000331272612	554239721	/nfs/dbraw/zinc/23/97/21/554239721.db2.gz	VNVOGHSQWCBVDD-HZPDHXFCSA-N	1	1	353.511	2.205	20	30		FEEDMO
CC(C)OCC[NH+]1CCN(C(=O)Nc2cn(C)nc2C(F)(F)F)CC1	ZINC000331323742	554246869	/nfs/dbraw/zinc/24/68/69/554246869.db2.gz	MOHYRYAJDHDZMI-UHFFFAOYSA-N	1	1	363.384	2.027	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)Nc1cn(C)nc1C(F)(F)F)[NH+]1CCOCC1	ZINC000331325512	554247471	/nfs/dbraw/zinc/24/74/71/554247471.db2.gz	ODKOWZSWZOWPKI-GFCCVEGCSA-N	1	1	363.384	2.122	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H]1CCCOC1	ZINC000510158003	561826787	/nfs/dbraw/zinc/82/67/87/561826787.db2.gz	CLBQYJKOMQUTGD-MRXNPFEDSA-N	1	1	362.474	2.062	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H]1CCCOC1	ZINC000510158003	561826788	/nfs/dbraw/zinc/82/67/88/561826788.db2.gz	CLBQYJKOMQUTGD-MRXNPFEDSA-N	1	1	362.474	2.062	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000332587121	554476831	/nfs/dbraw/zinc/47/68/31/554476831.db2.gz	CMMDEAVZDYNMRL-GASCZTMLSA-N	1	1	367.490	2.485	20	30		FEEDMO
Cc1cc(S(=O)(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C#N	ZINC000332638805	554489121	/nfs/dbraw/zinc/48/91/21/554489121.db2.gz	UQZFLWZAARJIDA-HZPDHXFCSA-N	1	1	365.499	2.034	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)[nH]1	ZINC000610528015	554523370	/nfs/dbraw/zinc/52/33/70/554523370.db2.gz	GVNZMYWKTBPDKW-UHFFFAOYSA-N	1	1	356.405	2.217	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1ccc(C#N)s1	ZINC000510693185	561843774	/nfs/dbraw/zinc/84/37/74/561843774.db2.gz	OFRLXTGDYKXUQB-UHFFFAOYSA-N	1	1	353.469	2.355	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@@H]21	ZINC000333133640	554577447	/nfs/dbraw/zinc/57/74/47/554577447.db2.gz	XIVRWPHZACXBMG-CJNGLKHVSA-N	1	1	358.511	2.463	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000333199518	554587999	/nfs/dbraw/zinc/58/79/99/554587999.db2.gz	XGDJOSOAVZDEGH-APWZRJJASA-N	1	1	366.465	2.362	20	30		FEEDMO
C[C@H](NC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1=CC[N@@H+](C)CC1	ZINC000510803722	561847026	/nfs/dbraw/zinc/84/70/26/561847026.db2.gz	LVSCBPYMVBYRAC-KRWDZBQOSA-N	1	1	368.481	2.480	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)cc1	ZINC000362066659	554947310	/nfs/dbraw/zinc/94/73/10/554947310.db2.gz	NOKUCYIMCSKXQI-UHFFFAOYSA-N	1	1	373.460	2.258	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)cc1	ZINC000362066659	554947312	/nfs/dbraw/zinc/94/73/12/554947312.db2.gz	NOKUCYIMCSKXQI-UHFFFAOYSA-N	1	1	373.460	2.258	20	30		FEEDMO
Cc1[nH+]c(CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c2n1CCCC2	ZINC000362274513	554959561	/nfs/dbraw/zinc/95/95/61/554959561.db2.gz	XZBMGNIKUBQHMD-UHFFFAOYSA-N	1	1	371.828	2.308	20	30		FEEDMO
CCN(C(=O)N=c1[nH]n(C)cc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000613855163	554980276	/nfs/dbraw/zinc/98/02/76/554980276.db2.gz	GDUCHJAEDCBLBH-KRWDZBQOSA-N	1	1	352.442	2.420	20	30		FEEDMO
C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000511771448	561880317	/nfs/dbraw/zinc/88/03/17/561880317.db2.gz	RSEFBJHOXLDBCD-FGTMMUONSA-N	1	1	354.498	2.464	20	30		FEEDMO
N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1	ZINC000363260107	555066459	/nfs/dbraw/zinc/06/64/59/555066459.db2.gz	STZLHQJOQBKDDM-DUVNUKRYSA-N	1	1	365.886	2.316	20	30		FEEDMO
C=CCN(C(=O)N[C@H]1CCC(=O)N(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364277349	555283328	/nfs/dbraw/zinc/28/33/28/555283328.db2.gz	AQXPTIYVBGYRPH-OALUTQOASA-N	1	1	370.497	2.079	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(F)c(C)c3)no2)CC1	ZINC000364439451	555314380	/nfs/dbraw/zinc/31/43/80/555314380.db2.gz	DSHGBGBSTVNYEV-UHFFFAOYSA-N	1	1	356.401	2.146	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000512573318	561909422	/nfs/dbraw/zinc/90/94/22/561909422.db2.gz	QSAYAEPOOKPHNT-HKUYNNGSSA-N	1	1	357.502	2.136	20	30		FEEDMO
C=CCN(C(=O)NOC[C@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364959636	555450930	/nfs/dbraw/zinc/45/09/30/555450930.db2.gz	XREUEVCQEGQKBZ-OALUTQOASA-N	1	1	359.470	2.427	20	30		FEEDMO
FC(F)OC[C@H]1CCN(CC#CC[N@@H+]2CC[C@H](COC(F)F)C2)C1	ZINC000512838129	561917432	/nfs/dbraw/zinc/91/74/32/561917432.db2.gz	BKYSENXZCUCVKO-KBPBESRZSA-N	1	1	352.372	2.112	20	30		FEEDMO
FC(F)OC[C@H]1CCN(CC#CC[N@H+]2CC[C@H](COC(F)F)C2)C1	ZINC000512838129	561917433	/nfs/dbraw/zinc/91/74/33/561917433.db2.gz	BKYSENXZCUCVKO-KBPBESRZSA-N	1	1	352.372	2.112	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H](C)C1	ZINC000512951861	561920676	/nfs/dbraw/zinc/92/06/76/561920676.db2.gz	XJGZHFDLEXPJFW-HNAYVOBHSA-N	1	1	361.461	2.493	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1	ZINC000365925477	555702533	/nfs/dbraw/zinc/70/25/33/555702533.db2.gz	WYSOPOYUAYPTFY-FUHWJXTLSA-N	1	1	367.497	2.405	20	30		FEEDMO
CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000366250418	555792604	/nfs/dbraw/zinc/79/26/04/555792604.db2.gz	ZEPQUWLGDTVTDW-OALUTQOASA-N	1	1	356.470	2.343	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1)c1ccccc1	ZINC000366985961	555989808	/nfs/dbraw/zinc/98/98/08/555989808.db2.gz	CQBLUXOBSKUZOY-INIZCTEOSA-N	1	1	364.453	2.185	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1)c1ccccc1	ZINC000366985961	555989811	/nfs/dbraw/zinc/98/98/11/555989811.db2.gz	CQBLUXOBSKUZOY-INIZCTEOSA-N	1	1	364.453	2.185	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C[N@H+]1C1CC1	ZINC000367154875	556002501	/nfs/dbraw/zinc/00/25/01/556002501.db2.gz	YCOWDMCVPVHGJS-CVEARBPZSA-N	1	1	353.470	2.274	20	30		FEEDMO
Cc1cc(C#N)nc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1	ZINC000367349969	556025136	/nfs/dbraw/zinc/02/51/36/556025136.db2.gz	WNYFOZVHHCEZMX-FQEVSTJZSA-N	1	1	362.481	2.053	20	30		FEEDMO
N#Cc1csc(C[NH2+]CCNC(=O)c2cccc(Br)c2)n1	ZINC000515021265	561992270	/nfs/dbraw/zinc/99/22/70/561992270.db2.gz	VIQDLVZTSIQTPQ-UHFFFAOYSA-N	1	1	365.256	2.297	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000368615654	556363924	/nfs/dbraw/zinc/36/39/24/556363924.db2.gz	AVWCYBVIDUAOSN-WOJBJXKFSA-N	1	1	368.525	2.089	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000368615654	556363927	/nfs/dbraw/zinc/36/39/27/556363927.db2.gz	AVWCYBVIDUAOSN-WOJBJXKFSA-N	1	1	368.525	2.089	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)C[C@H]2[C@H]1c1ccccc1	ZINC000368619107	556364472	/nfs/dbraw/zinc/36/44/72/556364472.db2.gz	NNRQKHMNLLMFOL-QGPMSJSTSA-N	1	1	357.435	2.075	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)nn1-c1cccc(C#N)c1	ZINC000368800883	556416097	/nfs/dbraw/zinc/41/60/97/556416097.db2.gz	SWNHKEFTTJSULB-FUHWJXTLSA-N	1	1	364.453	2.610	20	30		FEEDMO
N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1	ZINC000368884087	556438598	/nfs/dbraw/zinc/43/85/98/556438598.db2.gz	NYZDTHWUPSVLOY-QZTJIDSGSA-N	1	1	353.470	2.017	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1CCC[N@H+]([C@@H](C)CO)CC1	ZINC000368962672	556460997	/nfs/dbraw/zinc/46/09/97/556460997.db2.gz	CFUAYGRXWCHTOL-INIZCTEOSA-N	1	1	363.527	2.292	20	30		FEEDMO
Cc1cc(C[NH+]2CCC(N(C)C(=O)COc3ccccc3C#N)CC2)on1	ZINC000368970141	556463254	/nfs/dbraw/zinc/46/32/54/556463254.db2.gz	SQRKABYVOKLIRX-UHFFFAOYSA-N	1	1	368.437	2.357	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H]2CCCc3cccnc32)CC1	ZINC000369049036	556488542	/nfs/dbraw/zinc/48/85/42/556488542.db2.gz	RVQXMQDSNQOECU-RTBURBONSA-N	1	1	369.513	2.083	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCc3cccnc32)CC1	ZINC000369049036	556488544	/nfs/dbraw/zinc/48/85/44/556488544.db2.gz	RVQXMQDSNQOECU-RTBURBONSA-N	1	1	369.513	2.083	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1	ZINC000369061464	556493205	/nfs/dbraw/zinc/49/32/05/556493205.db2.gz	DZESZHJNHRZGOW-QVFKTBPPSA-N	1	1	374.529	2.296	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1	ZINC000369061464	556493206	/nfs/dbraw/zinc/49/32/06/556493206.db2.gz	DZESZHJNHRZGOW-QVFKTBPPSA-N	1	1	374.529	2.296	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCCC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)n1	ZINC000369238860	556545839	/nfs/dbraw/zinc/54/58/39/556545839.db2.gz	SPMLBZZCADYQRQ-MOPGFXCFSA-N	1	1	369.469	2.061	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1Cn1nc(C)nc1C	ZINC000369593057	556641735	/nfs/dbraw/zinc/64/17/35/556641735.db2.gz	TVEPHTRVXRUILC-KRWDZBQOSA-N	1	1	355.442	2.319	20	30		FEEDMO
Cc1ccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1C#N	ZINC000369746433	556683819	/nfs/dbraw/zinc/68/38/19/556683819.db2.gz	VZCHEUQVPZDOOI-YOFSQIOKSA-N	1	1	352.482	2.250	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C	ZINC000369859237	556714279	/nfs/dbraw/zinc/71/42/79/556714279.db2.gz	AFIUAKXDZKPIJW-CRAIPNDOSA-N	1	1	370.501	2.046	20	30		FEEDMO
Cn1cc([C@H]([NH2+]CC(=O)NCc2cccc(C#N)c2)c2ccccc2)cn1	ZINC000369908347	556727569	/nfs/dbraw/zinc/72/75/69/556727569.db2.gz	LLTFHSIPNCDLOD-OAQYLSRUSA-N	1	1	359.433	2.287	20	30		FEEDMO
CC[N@@H+](C)[C@H](C(=O)N1CCC(n2cnc(C#N)n2)CC1)c1ccccc1	ZINC000370041564	556764821	/nfs/dbraw/zinc/76/48/21/556764821.db2.gz	FVIUHMQTRUXLED-SFHVURJKSA-N	1	1	352.442	2.006	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O	ZINC000370406490	556863106	/nfs/dbraw/zinc/86/31/06/556863106.db2.gz	NAIMLEDDNVUBEH-LAUBAEHRSA-N	1	1	368.481	2.266	20	30		FEEDMO
Cc1cc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nn1-c1cccc(C#N)c1	ZINC000370696060	556942380	/nfs/dbraw/zinc/94/23/80/556942380.db2.gz	FGRCEZVQLCYDSN-DLBZAZTESA-N	1	1	364.453	2.801	20	30		FEEDMO
CN1CCC(C#N)(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1	ZINC000517345568	562086089	/nfs/dbraw/zinc/08/60/89/562086089.db2.gz	HFKIYCJBBYRJLW-QGZVFWFLSA-N	1	1	358.461	2.142	20	30		FEEDMO
CN1CCC(C#N)(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1	ZINC000517345568	562086090	/nfs/dbraw/zinc/08/60/90/562086090.db2.gz	HFKIYCJBBYRJLW-QGZVFWFLSA-N	1	1	358.461	2.142	20	30		FEEDMO
CCn1nc2c(cc1=O)C[N@H+](Cc1ccc(N(C)CCC#N)cc1)CC2	ZINC000371328349	557148405	/nfs/dbraw/zinc/14/84/05/557148405.db2.gz	UQMUXEKWSIZVMX-UHFFFAOYSA-N	1	1	351.454	2.171	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1	ZINC000371334063	557149787	/nfs/dbraw/zinc/14/97/87/557149787.db2.gz	DDTKYPIETUWGSD-NXHRZFHOSA-N	1	1	373.501	2.039	20	30		FEEDMO
CN1CCN(C[C@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)CC1	ZINC000371425638	557182661	/nfs/dbraw/zinc/18/26/61/557182661.db2.gz	UFPGKLKGGKPKDY-FQEVSTJZSA-N	1	1	356.514	2.287	20	30		FEEDMO
CN1CCN(C[C@H]2CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1	ZINC000371425638	557182662	/nfs/dbraw/zinc/18/26/62/557182662.db2.gz	UFPGKLKGGKPKDY-FQEVSTJZSA-N	1	1	356.514	2.287	20	30		FEEDMO
C=CCSCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000371585762	557230462	/nfs/dbraw/zinc/23/04/62/557230462.db2.gz	LPFAMSOINZPRPZ-UHFFFAOYSA-N	1	1	371.510	2.213	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO	ZINC000371609052	557238600	/nfs/dbraw/zinc/23/86/00/557238600.db2.gz	UGQVQQDIRFXXFH-ZACQAIPSSA-N	1	1	372.469	2.430	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3CCOC(=O)[C@H]32)sc2c1CCCC2	ZINC000372357066	557449304	/nfs/dbraw/zinc/44/93/04/557449304.db2.gz	OTTXMEURNZXDLR-PXAZEXFGSA-N	1	1	373.478	2.465	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3CCOC(=O)[C@H]32)sc2c1CCCC2	ZINC000372357066	557449309	/nfs/dbraw/zinc/44/93/09/557449309.db2.gz	OTTXMEURNZXDLR-PXAZEXFGSA-N	1	1	373.478	2.465	20	30		FEEDMO
C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(=O)N1c2ccccc2C[C@H]1C	ZINC000519551658	562134560	/nfs/dbraw/zinc/13/45/60/562134560.db2.gz	VCNZEDZGFRWKQV-KGLIPLIRSA-N	1	1	360.421	2.057	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCc1ccc(C#N)cc1	ZINC000372653763	557530493	/nfs/dbraw/zinc/53/04/93/557530493.db2.gz	FTTFAKWSMRSVNF-AYOQOUSVSA-N	1	1	356.470	2.247	20	30		FEEDMO
CO[C@@H](C)c1nc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cs1	ZINC000519595022	562136341	/nfs/dbraw/zinc/13/63/41/562136341.db2.gz	GCTQKOQQDGGZRU-BBRMVZONSA-N	1	1	361.467	2.446	20	30		FEEDMO
C[C@@H](CO)[N@H+]1CCCN(Cc2cc(C#N)ccc2Br)CC1	ZINC000372796813	557563970	/nfs/dbraw/zinc/56/39/70/557563970.db2.gz	CQWNCQRBWQIOKC-ZDUSSCGKSA-N	1	1	352.276	2.209	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCOC2CCN(Cc3nc(C#N)cs3)CC2)C[C@H](C)O1	ZINC000519854827	562146561	/nfs/dbraw/zinc/14/65/61/562146561.db2.gz	CFKZHQMGXAQIBK-GASCZTMLSA-N	1	1	364.515	2.105	20	30		FEEDMO
C[C@@H]1C[N@H+](CCOC2CCN(Cc3nc(C#N)cs3)CC2)C[C@H](C)O1	ZINC000519854827	562146562	/nfs/dbraw/zinc/14/65/62/562146562.db2.gz	CFKZHQMGXAQIBK-GASCZTMLSA-N	1	1	364.515	2.105	20	30		FEEDMO
CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000373965094	557797349	/nfs/dbraw/zinc/79/73/49/557797349.db2.gz	MNYXBGYLVYYTJH-OALUTQOASA-N	1	1	354.454	2.362	20	30		FEEDMO
O=C(C[N@@H+]1CCCC[C@H](CO)C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000374048500	557813842	/nfs/dbraw/zinc/81/38/42/557813842.db2.gz	HEXALXVYYJKNDP-INIZCTEOSA-N	1	1	368.399	2.268	20	30		FEEDMO
C[N@@H+](CCCC1(C#N)CCOCC1)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O	ZINC000374109551	557825056	/nfs/dbraw/zinc/82/50/56/557825056.db2.gz	SQIUFHYIUJFTDK-GOSISDBHSA-N	1	1	369.465	2.346	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1	ZINC000374161673	557834563	/nfs/dbraw/zinc/83/45/63/557834563.db2.gz	KJEYKEZMDQDHKE-ZCNNSNEGSA-N	1	1	350.418	2.480	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@]12C(=O)Nc1ccccc12	ZINC000374363484	557872148	/nfs/dbraw/zinc/87/21/48/557872148.db2.gz	SLWWZDBIMPGYMO-QRWLVFNGSA-N	1	1	362.389	2.483	20	30		FEEDMO
N#C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@]12C(=O)Nc1ccccc12	ZINC000374363484	557872150	/nfs/dbraw/zinc/87/21/50/557872150.db2.gz	SLWWZDBIMPGYMO-QRWLVFNGSA-N	1	1	362.389	2.483	20	30		FEEDMO
N#CC1(NC(=O)c2ccc([N+](=O)[O-])cn2)CC[NH+](Cc2ccccc2)CC1	ZINC000374890209	557946518	/nfs/dbraw/zinc/94/65/18/557946518.db2.gz	AVFYMJRXIYNPEI-UHFFFAOYSA-N	1	1	365.393	2.278	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1	ZINC000375011517	557963837	/nfs/dbraw/zinc/96/38/37/557963837.db2.gz	GPIKQVHBMOHXJY-QZTJIDSGSA-N	1	1	362.495	2.471	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1	ZINC000375011517	557963838	/nfs/dbraw/zinc/96/38/38/557963838.db2.gz	GPIKQVHBMOHXJY-QZTJIDSGSA-N	1	1	362.495	2.471	20	30		FEEDMO
C[C@@H]1C[C@H](CNS(=O)(=O)c2cccnc2C#N)C[N@H+]1Cc1ccccc1	ZINC000375440148	558027544	/nfs/dbraw/zinc/02/75/44/558027544.db2.gz	YLRPOVXZKUUUTA-NVXWUHKLSA-N	1	1	370.478	2.142	20	30		FEEDMO
N#CC1(c2ccccn2)CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1	ZINC000375580434	558052318	/nfs/dbraw/zinc/05/23/18/558052318.db2.gz	CXAZMOPKDPTIEL-MRXNPFEDSA-N	1	1	353.470	2.133	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)C1=O	ZINC000375594004	558054296	/nfs/dbraw/zinc/05/42/96/558054296.db2.gz	BKJPYVYBQDSFOY-QGZVFWFLSA-N	1	1	361.873	2.275	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)C1=O	ZINC000375594004	558054297	/nfs/dbraw/zinc/05/42/97/558054297.db2.gz	BKJPYVYBQDSFOY-QGZVFWFLSA-N	1	1	361.873	2.275	20	30		FEEDMO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)CC1	ZINC000375737227	558074890	/nfs/dbraw/zinc/07/48/90/558074890.db2.gz	AGYVVKDEJYUGAL-GOSISDBHSA-N	1	1	372.488	2.260	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)CC1	ZINC000375737227	558074891	/nfs/dbraw/zinc/07/48/91/558074891.db2.gz	AGYVVKDEJYUGAL-GOSISDBHSA-N	1	1	372.488	2.260	20	30		FEEDMO
N#Cc1cc(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1F	ZINC000376068928	558122584	/nfs/dbraw/zinc/12/25/84/558122584.db2.gz	QKKYKJBCJAFVMK-ROUUACIJSA-N	1	1	353.397	2.063	20	30		FEEDMO
CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)N=c1ccn(CCC#N)[nH]1	ZINC000376516952	558184070	/nfs/dbraw/zinc/18/40/70/558184070.db2.gz	BDFXUQAEIANUDR-OAHLLOKOSA-N	1	1	355.446	2.813	20	30		FEEDMO
N#CC1(CCC[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CCOCC1	ZINC000376627903	558199728	/nfs/dbraw/zinc/19/97/28/558199728.db2.gz	QALUCPROPLXZJS-MRXNPFEDSA-N	1	1	351.516	2.127	20	30		FEEDMO
C=CCOCCNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2	ZINC000376839922	558228323	/nfs/dbraw/zinc/22/83/23/558228323.db2.gz	ANFYKKPGVWQNCN-HNNXBMFYSA-N	1	1	359.470	2.304	20	30		FEEDMO
CC(C)c1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1cccnc1C#N	ZINC000376985323	558248278	/nfs/dbraw/zinc/24/82/78/558248278.db2.gz	MDBSAMBNHPMOPZ-CQSZACIVSA-N	1	1	359.455	2.126	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c(F)c1	ZINC000377166383	558280129	/nfs/dbraw/zinc/28/01/29/558280129.db2.gz	ZOUAJNNOOCJSCG-ULQDDVLXSA-N	1	1	356.445	2.267	20	30		FEEDMO
COc1cc(C[N@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)ccc1C#N	ZINC000377690385	558398278	/nfs/dbraw/zinc/39/82/78/558398278.db2.gz	GGVSPNPTAVEVKW-ROUUACIJSA-N	1	1	373.453	2.436	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1	ZINC000377758147	558413247	/nfs/dbraw/zinc/41/32/47/558413247.db2.gz	BIJKNKFDYRSMCU-YOEHRIQHSA-N	1	1	368.462	2.367	20	30		FEEDMO
C#CC[C@H](NC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1	ZINC000378277440	558517454	/nfs/dbraw/zinc/51/74/54/558517454.db2.gz	MMEVLYMBGORCDK-ZCNNSNEGSA-N	1	1	355.482	2.382	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSc2ccc(C#N)cc2F)C1	ZINC000524727022	562233247	/nfs/dbraw/zinc/23/32/47/562233247.db2.gz	BSNLBTULGDIIEQ-OAHLLOKOSA-N	1	1	365.474	2.262	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C	ZINC000410161457	558743319	/nfs/dbraw/zinc/74/33/19/558743319.db2.gz	KTNLXNGIHPVYSQ-ZYHUDNBSSA-N	1	1	361.389	2.338	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1	ZINC000410162686	558743342	/nfs/dbraw/zinc/74/33/42/558743342.db2.gz	UFJCDNGJEIBILS-QGZVFWFLSA-N	1	1	364.515	2.063	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ncc(C#N)cc2Cl)[C@@H](C)C1	ZINC000410485461	558766631	/nfs/dbraw/zinc/76/66/31/558766631.db2.gz	TVSFLAXWDRIYDH-XJKSGUPXSA-N	1	1	364.877	2.473	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000410838006	558815551	/nfs/dbraw/zinc/81/55/51/558815551.db2.gz	ABZQTSYWBORGIZ-OAQYLSRUSA-N	1	1	355.482	2.146	20	30		FEEDMO
CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1	ZINC000525835887	562256643	/nfs/dbraw/zinc/25/66/43/562256643.db2.gz	ZLRGEGSPWNMAKS-UHFFFAOYSA-N	1	1	360.433	2.215	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1	ZINC000411987231	558999506	/nfs/dbraw/zinc/99/95/06/558999506.db2.gz	UPALPTSTILQMAV-ZWKOTPCHSA-N	1	1	362.433	2.088	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c(OC)c1	ZINC000412045886	559005939	/nfs/dbraw/zinc/00/59/39/559005939.db2.gz	SOFRPXSVZJHNHO-ZSYWTGECSA-N	1	1	361.482	2.256	20	30		FEEDMO
C=CCC1(CNC(=O)N2CC[NH+](C(COC)COC)CC2)CCCC1	ZINC000413612431	559120375	/nfs/dbraw/zinc/12/03/75/559120375.db2.gz	PMSWHWOHHAWGIH-UHFFFAOYSA-N	1	1	353.507	2.112	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cccc(Cl)c2C(=O)OC)CC1	ZINC000416382994	559308924	/nfs/dbraw/zinc/30/89/24/559308924.db2.gz	FXZXNFNIWSULAE-UHFFFAOYSA-N	1	1	372.874	2.055	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@H](C)C[C@H](CO)C1	ZINC000420950820	559513578	/nfs/dbraw/zinc/51/35/78/559513578.db2.gz	WQPFRBODLDJKEH-IKGGRYGDSA-N	1	1	359.470	2.281	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(C#N)cn1CC	ZINC000421165911	559528077	/nfs/dbraw/zinc/52/80/77/559528077.db2.gz	OGPDZLCDISZBMC-GJZGRUSLSA-N	1	1	373.457	2.305	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c(C#N)cn1CC	ZINC000421173672	559528735	/nfs/dbraw/zinc/52/87/35/559528735.db2.gz	MCXSNBCQAZEFJQ-GXTWGEPZSA-N	1	1	361.446	2.161	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(C#N)cn1CC	ZINC000421176392	559528962	/nfs/dbraw/zinc/52/89/62/559528962.db2.gz	RUNZSXCRAJGKLD-CABCVRRESA-N	1	1	373.457	2.257	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1	ZINC000422492079	559591877	/nfs/dbraw/zinc/59/18/77/559591877.db2.gz	VCZPBHJAKWYEJR-IBGZPJMESA-N	1	1	357.498	2.092	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)NC1CCC([NH+]2CCNCC2)CC1	ZINC000423945389	559647485	/nfs/dbraw/zinc/64/74/85/559647485.db2.gz	GNSFIXCKYOXPMY-UHFFFAOYSA-N	1	1	373.497	2.206	20	30		FEEDMO
C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)[C@@H]2C1	ZINC000425214874	559691791	/nfs/dbraw/zinc/69/17/91/559691791.db2.gz	KXMWLWMFZFQPOQ-GXTWGEPZSA-N	1	1	373.400	2.292	20	30		FEEDMO
CN(C)c1[nH+]cc(CN2CCN(c3ccc(C#N)cc3Cl)CC2)n1C	ZINC000425348779	559697707	/nfs/dbraw/zinc/69/77/07/559697707.db2.gz	ZXCQNZOQOVXTQU-UHFFFAOYSA-N	1	1	358.877	2.333	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)c2)CCO1	ZINC000425415893	559701147	/nfs/dbraw/zinc/70/11/47/559701147.db2.gz	FZPRLSPTGSHFAZ-TXPKVOOTSA-N	1	1	356.470	2.399	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)c2)CCO1	ZINC000425415893	559701148	/nfs/dbraw/zinc/70/11/48/559701148.db2.gz	FZPRLSPTGSHFAZ-TXPKVOOTSA-N	1	1	356.470	2.399	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nn1	ZINC000425567398	559710145	/nfs/dbraw/zinc/71/01/45/559710145.db2.gz	SJSXUDJXARFZRW-RHSMWYFYSA-N	1	1	374.514	2.408	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C#N)s1	ZINC000428688718	559781262	/nfs/dbraw/zinc/78/12/62/559781262.db2.gz	AKKWOGVHDHXXAG-LJQANCHMSA-N	1	1	355.463	2.329	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)OCC	ZINC000428974347	559786954	/nfs/dbraw/zinc/78/69/54/559786954.db2.gz	FGAAKKFVOVWHTM-CTNGQTDRSA-N	1	1	360.498	2.453	20	30		FEEDMO
CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1CC(=O)NCC#N	ZINC000429367786	559796991	/nfs/dbraw/zinc/79/69/91/559796991.db2.gz	USPQSKXTDJBHEE-HXUWFJFHSA-N	1	1	356.514	2.291	20	30		FEEDMO
CN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000439583966	559997352	/nfs/dbraw/zinc/99/73/52/559997352.db2.gz	AGUFXGAPXYDCRH-QGZVFWFLSA-N	1	1	370.453	2.003	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C	ZINC000442151249	560045062	/nfs/dbraw/zinc/04/50/62/560045062.db2.gz	INXLALGEWUCRGS-GXFFZTMASA-N	1	1	368.359	2.114	20	30		FEEDMO
C=CCN(C(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)C1CC1	ZINC000442417283	560051166	/nfs/dbraw/zinc/05/11/66/560051166.db2.gz	WMBYOMQQFZDQJT-HZPDHXFCSA-N	1	1	371.481	2.411	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C	ZINC000443239196	560076039	/nfs/dbraw/zinc/07/60/39/560076039.db2.gz	HKLYADHHOZZTHT-GWCFXTLKSA-N	1	1	361.389	2.338	20	30		FEEDMO
CCC[C@@]1(C(=O)OCC)CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000444777936	560120676	/nfs/dbraw/zinc/12/06/76/560120676.db2.gz	UGSUFKKEHHWQEE-XLIONFOSSA-N	1	1	360.454	2.496	20	30		FEEDMO
C[NH+](C)C1(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CCC1	ZINC000445864475	560135676	/nfs/dbraw/zinc/13/56/76/560135676.db2.gz	VNBHMTRKYWQJGX-UHFFFAOYSA-N	1	1	369.513	2.260	20	30		FEEDMO
CC[N@H+]1CC[C@H](CNC(=O)COc2cccc(Br)c2C#N)C1	ZINC000449790462	560240123	/nfs/dbraw/zinc/24/01/23/560240123.db2.gz	LTZMUOAPPIZQLM-GFCCVEGCSA-N	1	1	366.259	2.158	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(c3ncc(Br)cc3C#N)CC2)CCO1	ZINC000450262845	560256297	/nfs/dbraw/zinc/25/62/97/560256297.db2.gz	UYVUVOKDTIFHFZ-GFCCVEGCSA-N	1	1	365.275	2.405	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCCNc2ncc(Br)cc2C#N)C[C@H](C)O1	ZINC000450374412	560260434	/nfs/dbraw/zinc/26/04/34/560260434.db2.gz	FJYRQJPGXVWHND-BETUJISGSA-N	1	1	367.291	3.017	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@@H+]1C	ZINC000450372879	560260460	/nfs/dbraw/zinc/26/04/60/560260460.db2.gz	BBMQUBXHRKQDPJ-IPYPFGDCSA-N	1	1	374.872	2.116	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)COc2ccc(C#N)c(Br)c2)CC1	ZINC000450419146	560261777	/nfs/dbraw/zinc/26/17/77/560261777.db2.gz	NWRLVWIQWJWODK-UHFFFAOYSA-N	1	1	364.243	2.078	20	30		FEEDMO
N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@@H]1CCC[N@@H+]1CCCO	ZINC000450599186	560267493	/nfs/dbraw/zinc/26/74/93/560267493.db2.gz	RXBSXYMMMQDUEC-LBPRGKRZSA-N	1	1	364.371	2.204	20	30		FEEDMO
C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000450615933	560268008	/nfs/dbraw/zinc/26/80/08/560268008.db2.gz	QDGIKWNMMUDTAH-MBVXMONXSA-N	1	1	361.445	2.496	20	30		FEEDMO
C[C@H](c1ccccc1)[C@H](O)C[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000450615933	560268009	/nfs/dbraw/zinc/26/80/09/560268009.db2.gz	QDGIKWNMMUDTAH-MBVXMONXSA-N	1	1	361.445	2.496	20	30		FEEDMO
CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc1	ZINC000451056565	560284995	/nfs/dbraw/zinc/28/49/95/560284995.db2.gz	OJHUVFLOTFIYFC-QGZVFWFLSA-N	1	1	352.394	2.178	20	30		FEEDMO
CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc1	ZINC000451056565	560284996	/nfs/dbraw/zinc/28/49/96/560284996.db2.gz	OJHUVFLOTFIYFC-QGZVFWFLSA-N	1	1	352.394	2.178	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)O	ZINC000451356463	560302410	/nfs/dbraw/zinc/30/24/10/560302410.db2.gz	ASYFAIXPCKAIKZ-HNNXBMFYSA-N	1	1	364.490	2.043	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)[C@@H](C)C1	ZINC000451680922	560321685	/nfs/dbraw/zinc/32/16/85/560321685.db2.gz	VCUNJJYLELNVES-LBPRGKRZSA-N	1	1	366.259	2.252	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)c1ccccc1	ZINC000451881625	560334261	/nfs/dbraw/zinc/33/42/61/560334261.db2.gz	BDZJBQOVKZVSBJ-BBRMVZONSA-N	1	1	355.360	2.178	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)c1ccccc1	ZINC000451881625	560334262	/nfs/dbraw/zinc/33/42/62/560334262.db2.gz	BDZJBQOVKZVSBJ-BBRMVZONSA-N	1	1	355.360	2.178	20	30		FEEDMO
C=CCn1c(N2CC[NH+](CCOC(C)C)CC2)nnc1[C@]1(C)CCCO1	ZINC000453447995	560386882	/nfs/dbraw/zinc/38/68/82/560386882.db2.gz	XRQYAQLTOQPFSX-IBGZPJMESA-N	1	1	363.506	2.037	20	30		FEEDMO
N#CCc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000453585194	560389747	/nfs/dbraw/zinc/38/97/47/560389747.db2.gz	XFNRGVKSGUZHOE-KRWDZBQOSA-N	1	1	366.421	2.237	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1	ZINC000453589060	560389959	/nfs/dbraw/zinc/38/99/59/560389959.db2.gz	FEECXRIYBYUBCI-OAHLLOKOSA-N	1	1	356.470	2.434	20	30		FEEDMO
CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000453643001	560392813	/nfs/dbraw/zinc/39/28/13/560392813.db2.gz	XISDQHWFHYUBMK-UHFFFAOYSA-N	1	1	362.861	2.287	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)CC[C@H]21	ZINC000453670691	560395352	/nfs/dbraw/zinc/39/53/52/560395352.db2.gz	JLKRTNMRDUKIKY-RHSMWYFYSA-N	1	1	374.872	2.287	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000453674460	560395685	/nfs/dbraw/zinc/39/56/85/560395685.db2.gz	RGLQQGWICVTMLM-VQIMIIECSA-N	1	1	366.465	2.281	20	30		FEEDMO
C=CC(C)(C)CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1	ZINC000455391347	560480494	/nfs/dbraw/zinc/48/04/94/560480494.db2.gz	XAJYHLBBYKRVKS-SFHVURJKSA-N	1	1	364.534	2.174	20	30		FEEDMO
C[C@H](O)C[N@@H+](C)C1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1	ZINC000456022984	560504930	/nfs/dbraw/zinc/50/49/30/560504930.db2.gz	NWYVNECXHICFJH-INIZCTEOSA-N	1	1	357.498	2.431	20	30		FEEDMO
C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1	ZINC000457105326	560548988	/nfs/dbraw/zinc/54/89/88/560548988.db2.gz	DRACKGIIEMLYKJ-INIZCTEOSA-N	1	1	364.449	2.440	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cccc(Nc2ccc(C#N)cc2)c1	ZINC000457105326	560548989	/nfs/dbraw/zinc/54/89/89/560548989.db2.gz	DRACKGIIEMLYKJ-INIZCTEOSA-N	1	1	364.449	2.440	20	30		FEEDMO
CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc(C)c(C#N)cn1	ZINC000457492124	560570295	/nfs/dbraw/zinc/57/02/95/560570295.db2.gz	SZPMDAGHNRHBAA-QGZVFWFLSA-N	1	1	372.469	2.141	20	30		FEEDMO
CC#CCN(C)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000457877168	560591709	/nfs/dbraw/zinc/59/17/09/560591709.db2.gz	UWIMALHBVFFSES-UHFFFAOYSA-N	1	1	356.514	2.249	20	30		FEEDMO
COc1cc(CCNC(=O)C[NH2+][C@@H]2CCC[C@@H]2C#N)ccc1OC(F)F	ZINC000459450383	560687231	/nfs/dbraw/zinc/68/72/31/560687231.db2.gz	ACBFINRJMLBXDB-ZIAGYGMSSA-N	1	1	367.396	2.237	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N(C)CCCn1cc[nH+]c1C	ZINC000459861834	560714348	/nfs/dbraw/zinc/71/43/48/560714348.db2.gz	DDDXUXXNGGHFBZ-UHFFFAOYSA-N	1	1	360.483	2.316	20	30		FEEDMO
C=C(C)Cn1c(CCCC)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1	ZINC000460800319	560752197	/nfs/dbraw/zinc/75/21/97/560752197.db2.gz	RTCMHKQAUYLYAD-SFHVURJKSA-N	1	1	360.550	2.413	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1C#N	ZINC000461232604	560764652	/nfs/dbraw/zinc/76/46/52/560764652.db2.gz	KEWAVWCAIPUVOL-CHWSQXEVSA-N	1	1	374.510	2.080	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1C#N	ZINC000461232604	560764654	/nfs/dbraw/zinc/76/46/54/560764654.db2.gz	KEWAVWCAIPUVOL-CHWSQXEVSA-N	1	1	374.510	2.080	20	30		FEEDMO
N#C[C@H]1CCC[C@H]1NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000461953960	560789409	/nfs/dbraw/zinc/78/94/09/560789409.db2.gz	CLBBNQIBTOUBMC-RTBURBONSA-N	1	1	371.485	2.008	20	30		FEEDMO
CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000462016460	560792652	/nfs/dbraw/zinc/79/26/52/560792652.db2.gz	STXJYWSHHXGXTH-HKUYNNGSSA-N	1	1	357.502	2.135	20	30		FEEDMO
CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H]1CCOC1	ZINC000463442972	560815044	/nfs/dbraw/zinc/81/50/44/560815044.db2.gz	IMDIHPAFZCCIGW-INIZCTEOSA-N	1	1	362.474	2.062	20	30		FEEDMO
CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H]1CCOC1	ZINC000463442972	560815045	/nfs/dbraw/zinc/81/50/45/560815045.db2.gz	IMDIHPAFZCCIGW-INIZCTEOSA-N	1	1	362.474	2.062	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@]2(CNC(=O)C2)C1	ZINC000464803453	560851940	/nfs/dbraw/zinc/85/19/40/560851940.db2.gz	YMMMDAOSWPSXHW-KXBFYZLASA-N	1	1	361.511	2.253	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1C	ZINC000465874273	560874568	/nfs/dbraw/zinc/87/45/68/560874568.db2.gz	MNYQLFGNTALBDH-PVAVHDDUSA-N	1	1	373.476	2.448	20	30		FEEDMO
COc1cccc(C(=O)N2CC[NH+](CCCSCC#N)CC2)c1OC	ZINC000466729525	560893802	/nfs/dbraw/zinc/89/38/02/560893802.db2.gz	VIKBWVIGKXAHBZ-UHFFFAOYSA-N	1	1	363.483	2.108	20	30		FEEDMO
N#CCNC(=O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1	ZINC000467300682	560908157	/nfs/dbraw/zinc/90/81/57/560908157.db2.gz	GFWONUWICCRBOJ-UHFFFAOYSA-N	1	1	366.259	2.070	20	30		FEEDMO
Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1cccc(C#N)c1F	ZINC000470815870	560990515	/nfs/dbraw/zinc/99/05/15/560990515.db2.gz	LEEVTLLHWPFMRQ-WMZOPIPTSA-N	1	1	359.424	2.475	20	30		FEEDMO
N#CCCn1cc(C(=O)C[N@@H+]2CCCC[C@@H]2CC(N)=O)c2ccccc21	ZINC000472431181	561026295	/nfs/dbraw/zinc/02/62/95/561026295.db2.gz	LWTBMZOZCSVVOZ-OAHLLOKOSA-N	1	1	352.438	2.468	20	30		FEEDMO
CC(C)[C@H](CNC(=O)c1cnn(C)c1C#N)[N@H+]1CCc2ccccc2C1	ZINC000474779441	561082743	/nfs/dbraw/zinc/08/27/43/561082743.db2.gz	GWVPJTDAZQFDQF-IBGZPJMESA-N	1	1	351.454	2.104	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528366808	562325190	/nfs/dbraw/zinc/32/51/90/562325190.db2.gz	PSKBGDXCWCJYBE-WDSOQIARSA-N	1	1	373.497	2.315	20	30		FEEDMO
C[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000528414340	562327872	/nfs/dbraw/zinc/32/78/72/562327872.db2.gz	ADRZIEJLUYYKNQ-RTBURBONSA-N	1	1	365.433	2.035	20	30		FEEDMO
C[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000528414340	562327873	/nfs/dbraw/zinc/32/78/73/562327873.db2.gz	ADRZIEJLUYYKNQ-RTBURBONSA-N	1	1	365.433	2.035	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](C2CCOCC2)C1	ZINC000528429358	562328914	/nfs/dbraw/zinc/32/89/14/562328914.db2.gz	VAZIWAWPIFJJOB-KRWDZBQOSA-N	1	1	352.434	2.035	20	30		FEEDMO
Cc1noc(C)c1CO[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528447036	562329853	/nfs/dbraw/zinc/32/98/53/562329853.db2.gz	CNAVDMBEZVVXHT-QZTJIDSGSA-N	1	1	371.437	2.194	20	30		FEEDMO
CC(C)C[C@]1(CO)CCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528469882	562330836	/nfs/dbraw/zinc/33/08/36/562330836.db2.gz	CJGCQQVLOCKPDF-NRFANRHFSA-N	1	1	354.450	2.159	20	30		FEEDMO
C[N@H+]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC12CCCCC2	ZINC000528515969	562333403	/nfs/dbraw/zinc/33/34/03/562333403.db2.gz	IEJZYURBAGTXAF-UHFFFAOYSA-N	1	1	365.477	2.236	20	30		FEEDMO
C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)o1	ZINC000528530809	562334481	/nfs/dbraw/zinc/33/44/81/562334481.db2.gz	VFTPXUPXRDVLQC-WMLDXEAASA-N	1	1	359.451	2.340	20	30		FEEDMO
C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)o1	ZINC000528530809	562334482	/nfs/dbraw/zinc/33/44/82/562334482.db2.gz	VFTPXUPXRDVLQC-WMLDXEAASA-N	1	1	359.451	2.340	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O	ZINC000528782616	562347462	/nfs/dbraw/zinc/34/74/62/562347462.db2.gz	FAAKYAWMOBTQGK-TZDTXCBQSA-N	1	1	365.543	2.291	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O	ZINC000528782616	562347463	/nfs/dbraw/zinc/34/74/63/562347463.db2.gz	FAAKYAWMOBTQGK-TZDTXCBQSA-N	1	1	365.543	2.291	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)CC2)o1	ZINC000530283407	562405392	/nfs/dbraw/zinc/40/53/92/562405392.db2.gz	RJLWAMOSNQHUPL-GASCZTMLSA-N	1	1	373.501	2.450	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](CCC(=O)Nc3ccccc3C)CC2)c1C#N	ZINC000530465963	562412344	/nfs/dbraw/zinc/41/23/44/562412344.db2.gz	TUKKZECJXRKQTM-UHFFFAOYSA-N	1	1	366.469	2.059	20	30		FEEDMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1	ZINC000531246183	562439407	/nfs/dbraw/zinc/43/94/07/562439407.db2.gz	KCIKTGRAKAXOTJ-KRWDZBQOSA-N	1	1	373.476	2.259	20	30		FEEDMO
CC1CC(C#N)(C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1	ZINC000531817471	562457662	/nfs/dbraw/zinc/45/76/62/562457662.db2.gz	LNXGTAIUFVAZRL-UHFFFAOYSA-N	1	1	354.498	2.202	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1	ZINC000533471547	562510048	/nfs/dbraw/zinc/51/00/48/562510048.db2.gz	UFZDFJCAUGKXGU-UHFFFAOYSA-N	1	1	356.304	2.331	20	30		FEEDMO
CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000534359262	562532696	/nfs/dbraw/zinc/53/26/96/562532696.db2.gz	HCBQSBPDICDUDK-RTBURBONSA-N	1	1	357.502	2.296	20	30		FEEDMO
CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cn(C)nn1	ZINC000541059578	562601840	/nfs/dbraw/zinc/60/18/40/562601840.db2.gz	CHIUQJBFPYLCFJ-UHFFFAOYSA-N	1	1	358.471	2.088	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cn(C)nn1	ZINC000541059578	562601841	/nfs/dbraw/zinc/60/18/41/562601841.db2.gz	CHIUQJBFPYLCFJ-UHFFFAOYSA-N	1	1	358.471	2.088	20	30		FEEDMO
Cc1cc(NC(=O)C[NH+]2CCC(CC#N)CC2)n(-c2nc(C)cc(C)n2)n1	ZINC000541948736	562624183	/nfs/dbraw/zinc/62/41/83/562624183.db2.gz	LFJLNNZBKURNCF-UHFFFAOYSA-N	1	1	367.457	2.152	20	30		FEEDMO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1	ZINC000602042881	567910495	/nfs/dbraw/zinc/91/04/95/567910495.db2.gz	OKVMULHZRDISQT-NUJGCVRESA-N	1	1	353.401	2.061	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)c2ccc(C)cc2)CC1	ZINC000602932049	568019889	/nfs/dbraw/zinc/01/98/89/568019889.db2.gz	PWXVPLUWXQPVMZ-QGZVFWFLSA-N	1	1	370.497	2.197	20	30		FEEDMO
CC[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C1CCOCC1	ZINC000330271559	568065374	/nfs/dbraw/zinc/06/53/74/568065374.db2.gz	WCLVECOAPFNDOM-MAUKXSAKSA-N	1	1	353.507	2.291	20	30		FEEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1	ZINC000604487873	568302615	/nfs/dbraw/zinc/30/26/15/568302615.db2.gz	PUPQDPWCZLHQSA-UHFFFAOYSA-N	1	1	369.513	2.282	20	30		FEEDMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN([C@@H](C#N)C(C)C)CC1	ZINC000609485461	568346045	/nfs/dbraw/zinc/34/60/45/568346045.db2.gz	QPYLMZMKGHSXAF-SFHVURJKSA-N	1	1	373.457	2.398	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](N2CCCC2=O)CC1	ZINC000570612436	568491052	/nfs/dbraw/zinc/49/10/52/568491052.db2.gz	IBJVGLSOBDAWFK-KRWDZBQOSA-N	1	1	354.454	2.364	20	30		FEEDMO
Cc1cc(N2CCC([NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)nc(C)[nH+]1	ZINC000832889471	601307893	/nfs/dbraw/zinc/30/78/93/601307893.db2.gz	PRIKFDOVPBJLQI-LJQANCHMSA-N	1	1	365.437	2.349	20	30		FEEDMO
N#Cc1csc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c1	ZINC000561974362	674712211	/nfs/dbraw/zinc/71/22/11/674712211.db2.gz	VEIJDNKWYULEFB-UHFFFAOYSA-N	1	1	360.527	2.434	20	30		FEEDMO
C[N@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1S(N)(=O)=O	ZINC000814654433	674872653	/nfs/dbraw/zinc/87/26/53/674872653.db2.gz	KYRGJYXSZLZQFE-UHFFFAOYSA-N	1	1	359.451	2.107	20	30		FEEDMO
C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1S(N)(=O)=O	ZINC000814654433	674872656	/nfs/dbraw/zinc/87/26/56/674872656.db2.gz	KYRGJYXSZLZQFE-UHFFFAOYSA-N	1	1	359.451	2.107	20	30		FEEDMO
Cc1cc2c(c(Br)c1)OCC2=NNCCC[NH+]1CCOCC1	ZINC000814923944	674888763	/nfs/dbraw/zinc/88/87/63/674888763.db2.gz	RIAOVQVPKLUJFH-UHFFFAOYSA-N	1	1	368.275	2.166	20	30		FEEDMO
COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCOCCC#N)CC1	ZINC000815019443	674898670	/nfs/dbraw/zinc/89/86/70/674898670.db2.gz	HYZVVDOFRJNIPO-KRWDZBQOSA-N	1	1	365.861	2.102	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl	ZINC000815861481	674978981	/nfs/dbraw/zinc/97/89/81/674978981.db2.gz	KQVOWUNCGBHRKR-UHFFFAOYSA-N	1	1	356.253	2.312	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H]3CCC(F)(F)C3)C[C@@H]2C1	ZINC001049068517	675022315	/nfs/dbraw/zinc/02/23/15/675022315.db2.gz	WJRINBSWPLMMKW-UUAJXVIYSA-N	1	1	354.441	2.403	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=C)Br)C[C@@H]2C1	ZINC001049110843	675023128	/nfs/dbraw/zinc/02/31/28/675023128.db2.gz	BJIWOUDZORDJGL-FZKCQIBNSA-N	1	1	369.303	2.266	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=C)Br)C[C@@H]2C1	ZINC001049110843	675023130	/nfs/dbraw/zinc/02/31/30/675023130.db2.gz	BJIWOUDZORDJGL-FZKCQIBNSA-N	1	1	369.303	2.266	20	30		FEEDMO
C=CCCCCCNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1	ZINC000565229972	675104167	/nfs/dbraw/zinc/10/41/67/675104167.db2.gz	VLSWHOKFYPKONV-HNNXBMFYSA-N	1	1	363.527	2.474	20	30		FEEDMO
C=CCCCCCNC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1	ZINC000565229972	675104170	/nfs/dbraw/zinc/10/41/70/675104170.db2.gz	VLSWHOKFYPKONV-HNNXBMFYSA-N	1	1	363.527	2.474	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)NCc1ccccc1	ZINC000565331972	675112273	/nfs/dbraw/zinc/11/22/73/675112273.db2.gz	LYAPNOSLWCOLNS-UHFFFAOYSA-N	1	1	356.451	2.197	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000570367155	670703210	/nfs/dbraw/zinc/70/32/10/670703210.db2.gz	NDTSSDJOXZHQPS-PBHICJAKSA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000570367155	670703214	/nfs/dbraw/zinc/70/32/14/670703214.db2.gz	NDTSSDJOXZHQPS-PBHICJAKSA-N	1	1	356.451	2.067	20	30		FEEDMO
N#CCC[NH2+][C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	ZINC000565653176	675140444	/nfs/dbraw/zinc/14/04/44/675140444.db2.gz	CTEAJTIOJRBIEW-CYBMUJFWSA-N	1	1	372.288	2.105	20	30		FEEDMO
N#CC1(CS(=O)(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1	ZINC000573672383	671149766	/nfs/dbraw/zinc/14/97/66/671149766.db2.gz	FYKFLUMJBGOBKK-GOSISDBHSA-N	1	1	361.511	2.164	20	30		FEEDMO
CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000581051688	671858769	/nfs/dbraw/zinc/85/87/69/671858769.db2.gz	YQCJJXLXHVGYMY-ZYSHUDEJSA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(C)(CNS(=O)(=O)CC1(CC#N)CC1)[N@H+]1CCc2ccccc2C1	ZINC000581925277	671950210	/nfs/dbraw/zinc/95/02/10/671950210.db2.gz	SQIQPSKFYACBFH-UHFFFAOYSA-N	1	1	361.511	2.437	20	30		FEEDMO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C[N@H+](C)CCCC)c1	ZINC000583349397	672086349	/nfs/dbraw/zinc/08/63/49/672086349.db2.gz	HBWSNKIKOPXTCE-OAHLLOKOSA-N	1	1	367.515	2.001	20	30		FEEDMO
N#CCCN(C(=O)C[NH+]1CCC(OCCO)CC1)c1cccc(Cl)c1	ZINC000583707357	672119358	/nfs/dbraw/zinc/11/93/58/672119358.db2.gz	WQZCQSYYLVWXIS-UHFFFAOYSA-N	1	1	365.861	2.060	20	30		FEEDMO
C[NH+]=C(NCc1c(C)noc1C)NCC1(N2CCSCC2)CCCC1	ZINC000156991919	672253241	/nfs/dbraw/zinc/25/32/41/672253241.db2.gz	LVVXCMKTVXHJFU-UHFFFAOYSA-N	1	1	365.547	2.318	20	30		FEEDMO
C=CCn1c(C)nn(CN2CC[N@@H+](CCOC)[C@H](CCC)C2)c1=S	ZINC000159823958	672285511	/nfs/dbraw/zinc/28/55/11/672285511.db2.gz	DYODZJYYKZVCAW-MRXNPFEDSA-N	1	1	353.536	2.299	20	30		FEEDMO
CC[C@H](C)NC(=[NH2+])NCc1nc(-c2ccc(Br)cc2)n[nH]1	ZINC000171043042	672328823	/nfs/dbraw/zinc/32/88/23/672328823.db2.gz	JWOXDSVGZZXGJH-VIFPVBQESA-N	1	1	351.252	2.437	20	30		FEEDMO
CC[C@H](C)NC(=[NH2+])NCc1n[nH]c(-c2ccc(Br)cc2)n1	ZINC000171043042	672328826	/nfs/dbraw/zinc/32/88/26/672328826.db2.gz	JWOXDSVGZZXGJH-VIFPVBQESA-N	1	1	351.252	2.437	20	30		FEEDMO
C[C@@H]1CN=C(N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)S1	ZINC000175790507	672370624	/nfs/dbraw/zinc/37/06/24/672370624.db2.gz	FHKRBJWBNIXEFM-GFCCVEGCSA-N	1	1	363.512	2.057	20	30		FEEDMO
C=C(C)CN(CC)C(=O)CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000588710779	672474595	/nfs/dbraw/zinc/47/45/95/672474595.db2.gz	WDVHHORDYBVTOL-HDICACEKSA-N	1	1	351.535	2.232	20	30		FEEDMO
C=C(C)CN(CC)C(=O)CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000588710779	672474599	/nfs/dbraw/zinc/47/45/99/672474599.db2.gz	WDVHHORDYBVTOL-HDICACEKSA-N	1	1	351.535	2.232	20	30		FEEDMO
N#CCCN1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1	ZINC000611173823	676022701	/nfs/dbraw/zinc/02/27/01/676022701.db2.gz	MJZUFUVYITXMJS-CYBMUJFWSA-N	1	1	358.269	2.264	20	30		FEEDMO
C#CCC(C)(C)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000185430196	672527158	/nfs/dbraw/zinc/52/71/58/672527158.db2.gz	BOHODONIASGNMQ-UHFFFAOYSA-N	1	1	351.491	2.095	20	30		FEEDMO
Cc1csc(NC2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)n1	ZINC000592508414	672809483	/nfs/dbraw/zinc/80/94/83/672809483.db2.gz	URFHSVXSEGBPMA-UHFFFAOYSA-N	1	1	353.455	2.442	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)CC1	ZINC000593459459	672926531	/nfs/dbraw/zinc/92/65/31/672926531.db2.gz	ZYVPVYXESSQPQJ-UHFFFAOYSA-N	1	1	350.260	2.417	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1C	ZINC000593557794	672942472	/nfs/dbraw/zinc/94/24/72/672942472.db2.gz	RCUXEYVXDPIASE-GFCCVEGCSA-N	1	1	350.260	2.416	20	30		FEEDMO
COc1ccc(NC(=[NH2+])NC[C@@H]2CN(CC(C)C)CCO2)cc1Cl	ZINC000303771096	673017330	/nfs/dbraw/zinc/01/73/30/673017330.db2.gz	CJVKQJJKQMFUFM-CQSZACIVSA-N	1	1	354.882	2.432	20	30		FEEDMO
COc1ccc(NC(=[NH2+])NC[C@H]2CN(CC(C)C)CCO2)cc1Cl	ZINC000303771095	673017652	/nfs/dbraw/zinc/01/76/52/673017652.db2.gz	CJVKQJJKQMFUFM-AWEZNQCLSA-N	1	1	354.882	2.432	20	30		FEEDMO
C[C@H]1CN(Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C[C@H](C)O1	ZINC000303899828	673018675	/nfs/dbraw/zinc/01/86/75/673018675.db2.gz	RTUCMSRUTBUDDU-HOTGVXAUSA-N	1	1	362.543	2.159	20	30		FEEDMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)NC3CCCCCC3)CC2)CC1	ZINC000328747406	673065724	/nfs/dbraw/zinc/06/57/24/673065724.db2.gz	AXJUDSTZFJLRPK-UHFFFAOYSA-N	1	1	350.507	2.109	20	30		FEEDMO
COc1cc2nc(C)sc2cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC000329370884	673076323	/nfs/dbraw/zinc/07/63/23/673076323.db2.gz	AUPVIFBWGBOIAP-GFCCVEGCSA-N	1	1	363.487	2.185	20	30		FEEDMO
O=C(NCC[NH+]1CCSCC1)[C@H]1CC(=O)N(c2ccccc2F)C1	ZINC000329413265	673077171	/nfs/dbraw/zinc/07/71/71/673077171.db2.gz	DRSTWLGIHXVOMR-ZDUSSCGKSA-N	1	1	351.447	2.184	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1	ZINC000594853979	673164532	/nfs/dbraw/zinc/16/45/32/673164532.db2.gz	CCPUMWZNEWFELM-OAHLLOKOSA-N	1	1	363.483	2.252	20	30		FEEDMO
N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1	ZINC000595412214	673246486	/nfs/dbraw/zinc/24/64/86/673246486.db2.gz	WIAYFEIWWQYQPU-ZDUSSCGKSA-N	1	1	369.437	2.237	20	30		FEEDMO
N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1	ZINC000595412214	673246488	/nfs/dbraw/zinc/24/64/88/673246488.db2.gz	WIAYFEIWWQYQPU-ZDUSSCGKSA-N	1	1	369.437	2.237	20	30		FEEDMO
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2	ZINC000613433623	676128716	/nfs/dbraw/zinc/12/87/16/676128716.db2.gz	BCOQLVFXIWUVSZ-AWEZNQCLSA-N	1	1	350.488	2.319	20	30		FEEDMO
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2	ZINC000613433623	676128718	/nfs/dbraw/zinc/12/87/18/676128718.db2.gz	BCOQLVFXIWUVSZ-AWEZNQCLSA-N	1	1	350.488	2.319	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCc2c(cccc2C(N)=O)C1	ZINC000595902137	673336805	/nfs/dbraw/zinc/33/68/05/673336805.db2.gz	HESIZFLSXLOOFC-UHFFFAOYSA-N	1	1	354.435	2.106	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCc2c(cccc2C(N)=O)C1	ZINC000595902137	673336811	/nfs/dbraw/zinc/33/68/11/673336811.db2.gz	HESIZFLSXLOOFC-UHFFFAOYSA-N	1	1	354.435	2.106	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC(=S)NCC(F)(F)F	ZINC000734365565	673461220	/nfs/dbraw/zinc/46/12/20/673461220.db2.gz	LRNHDSHYDUQEOT-NSHDSACASA-N	1	1	359.421	2.306	20	30		FEEDMO
C[NH+]1CCN(CC2CN(C(=O)c3c(Cl)cc(C#N)cc3Cl)C2)CC1	ZINC000597695139	673500010	/nfs/dbraw/zinc/50/00/10/673500010.db2.gz	QQWGETBKBKHUBE-UHFFFAOYSA-N	1	1	367.280	2.184	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(CC#N)cc2)cc1	ZINC000542280571	673572641	/nfs/dbraw/zinc/57/26/41/673572641.db2.gz	QMISBVOSTGDOEE-UHFFFAOYSA-N	1	1	357.479	2.471	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(CC#N)cc2)cc1	ZINC000542280571	673572642	/nfs/dbraw/zinc/57/26/42/673572642.db2.gz	QMISBVOSTGDOEE-UHFFFAOYSA-N	1	1	357.479	2.471	20	30		FEEDMO
CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1	ZINC000598585577	673586826	/nfs/dbraw/zinc/58/68/26/673586826.db2.gz	GEQGMQYSFCUVGH-KRWDZBQOSA-N	1	1	363.889	2.327	20	30		FEEDMO
CN(CC(=O)Nc1ccccc1Cl)C(=O)C[NH+]1CCC(CC#N)CC1	ZINC000543806812	673671715	/nfs/dbraw/zinc/67/17/15/673671715.db2.gz	CHYXYYARVVBAGH-UHFFFAOYSA-N	1	1	362.861	2.363	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000599586532	673694487	/nfs/dbraw/zinc/69/44/87/673694487.db2.gz	AMZGNBLAFVGXEK-BZUAXINKSA-N	1	1	351.491	2.294	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000599586532	673694489	/nfs/dbraw/zinc/69/44/89/673694489.db2.gz	AMZGNBLAFVGXEK-BZUAXINKSA-N	1	1	351.491	2.294	20	30		FEEDMO
COC[C@]1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1	ZINC000599697671	673707704	/nfs/dbraw/zinc/70/77/04/673707704.db2.gz	PEJFXIGAVADOQB-SFHVURJKSA-N	1	1	363.483	2.174	20	30		FEEDMO
COC[C@]1(C)C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1	ZINC000599697671	673707708	/nfs/dbraw/zinc/70/77/08/673707708.db2.gz	PEJFXIGAVADOQB-SFHVURJKSA-N	1	1	363.483	2.174	20	30		FEEDMO
Fc1ccccc1C1CC(=NNC(=S)NCCC[NH+]2CCOCC2)C1	ZINC000743424892	673759470	/nfs/dbraw/zinc/75/94/70/673759470.db2.gz	QXEWNJZQOWFXLO-UHFFFAOYSA-N	1	1	364.490	2.246	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1	ZINC000601362714	673848498	/nfs/dbraw/zinc/84/84/98/673848498.db2.gz	PIPZIKUFGZBCRS-HNNXBMFYSA-N	1	1	365.474	2.358	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1ccccc1CC#N	ZINC000601414546	673858455	/nfs/dbraw/zinc/85/84/55/673858455.db2.gz	AEHUNDLPOLLBIJ-UHFFFAOYSA-N	1	1	361.467	2.488	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)CC1(CC#N)CC1	ZINC000601481360	673869433	/nfs/dbraw/zinc/86/94/33/673869433.db2.gz	DZHQCVAKAJDXGQ-AEFFLSMTSA-N	1	1	361.511	2.368	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@@H](Nc3cc(C#N)c(Br)cn3)C2)CC1	ZINC000603294460	673922682	/nfs/dbraw/zinc/92/26/82/673922682.db2.gz	VBYFTXPVPWJHFH-CYBMUJFWSA-N	1	1	364.291	2.296	20	30		FEEDMO
C[NH+]1CCC(N2CC[C@@H](Nc3cc(C#N)c(Br)cn3)C2)CC1	ZINC000603294460	673922683	/nfs/dbraw/zinc/92/26/83/673922683.db2.gz	VBYFTXPVPWJHFH-CYBMUJFWSA-N	1	1	364.291	2.296	20	30		FEEDMO
C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819429682	675289797	/nfs/dbraw/zinc/28/97/97/675289797.db2.gz	RZGBCPZNOLOVDM-QLFBSQMISA-N	1	1	352.479	2.125	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1nc(C(C)C)ncc1Br	ZINC000820688204	675378930	/nfs/dbraw/zinc/37/89/30/675378930.db2.gz	MUSWILHNTJCHLQ-UHFFFAOYSA-N	1	1	353.264	2.047	20	30		FEEDMO
C=CC1(CC(=O)N(CC)[C@H]2CC[N@@H+](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000824841788	675625166	/nfs/dbraw/zinc/62/51/66/675625166.db2.gz	NQVXJRYWEVHKJA-HNNXBMFYSA-N	1	1	351.491	2.352	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)C#Cc3cccs3)cc2)CC1	ZINC000825098759	675636894	/nfs/dbraw/zinc/63/68/94/675636894.db2.gz	NNFLXEBTRFEWIE-UHFFFAOYSA-N	1	1	353.491	2.163	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)C#Cc3cccs3)cc2)CC1	ZINC000825400766	675650961	/nfs/dbraw/zinc/65/09/61/675650961.db2.gz	UWVPGQKPHSUYRJ-UHFFFAOYSA-N	1	1	353.447	2.126	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CC[C@H]21	ZINC000827234085	675742077	/nfs/dbraw/zinc/74/20/77/675742077.db2.gz	WNNRFLZDMPJGFA-CZUORRHYSA-N	1	1	362.271	2.416	20	30		FEEDMO
O=C(C#Cc1cccs1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000827316447	675747626	/nfs/dbraw/zinc/74/76/26/675747626.db2.gz	BJYBRZQGOVAIHQ-MJGOQNOKSA-N	1	1	354.475	2.099	20	30		FEEDMO
N#Cc1cccc(CNC(=O)CN2CC[NH+](Cc3cccs3)CC2)c1	ZINC000603629248	675800513	/nfs/dbraw/zinc/80/05/13/675800513.db2.gz	CLUTVDHUOJTIGV-UHFFFAOYSA-N	1	1	354.479	2.054	20	30		FEEDMO
C#CCN(CC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C	ZINC000828596492	675832846	/nfs/dbraw/zinc/83/28/46/675832846.db2.gz	WQLKABLZVGKJDO-HOTGVXAUSA-N	1	1	351.491	2.045	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1CC#N)c1ccc(F)cc1	ZINC000619572809	676385569	/nfs/dbraw/zinc/38/55/69/676385569.db2.gz	VDFWQKHVCXUYLG-KRWDZBQOSA-N	1	1	361.442	2.473	20	30		FEEDMO
C=CCOc1c(Cl)cc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1OC	ZINC000628327725	676798048	/nfs/dbraw/zinc/79/80/48/676798048.db2.gz	NFGVUSUORBARLB-LSDHHAIUSA-N	1	1	352.862	2.164	20	30		FEEDMO
C=CC[N@@H+](CC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC)C(C)C	ZINC000839467072	680754266	/nfs/dbraw/zinc/75/42/66/680754266.db2.gz	OIWOQCFISCBCOB-UHFFFAOYSA-N	1	1	367.471	2.167	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC)C(C)C	ZINC000839467072	680754269	/nfs/dbraw/zinc/75/42/69/680754269.db2.gz	OIWOQCFISCBCOB-UHFFFAOYSA-N	1	1	367.471	2.167	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)[C@H](C)COC	ZINC000661243349	678457619	/nfs/dbraw/zinc/45/76/19/678457619.db2.gz	JKNAEMAHNKBBLO-CRAIPNDOSA-N	1	1	350.434	2.249	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)[C@H](C)COC	ZINC000661243349	678457622	/nfs/dbraw/zinc/45/76/22/678457622.db2.gz	JKNAEMAHNKBBLO-CRAIPNDOSA-N	1	1	350.434	2.249	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1	ZINC001015721771	680050120	/nfs/dbraw/zinc/05/01/20/680050120.db2.gz	OMDUQRZVMOXNIK-DAYGRLMNSA-N	1	1	350.409	2.289	20	30		FEEDMO
C=C(Br)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001016838268	680064985	/nfs/dbraw/zinc/06/49/85/680064985.db2.gz	KZLRHYHJIVAJDW-MGPQQGTHSA-N	1	1	357.292	2.433	20	30		FEEDMO
C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC3)[C@@H]2C1	ZINC000978519339	680177889	/nfs/dbraw/zinc/17/78/89/680177889.db2.gz	GVQVFBIQFHWEBV-SUJAAXHWSA-N	1	1	369.303	2.004	20	30		FEEDMO
C=CCCC[N@H+](C)CN1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C1=O	ZINC000751596552	680189197	/nfs/dbraw/zinc/18/91/97/680189197.db2.gz	ZBNQSEYEFVDFRZ-OAHLLOKOSA-N	1	1	352.479	2.199	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCOCC2)C1	ZINC001023643107	680268606	/nfs/dbraw/zinc/26/86/06/680268606.db2.gz	OVXGGTMFGPUYKH-QYZOEREBSA-N	1	1	350.503	2.222	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](C[C@@H](OC)C2CCC2)CC1	ZINC000982173421	680272603	/nfs/dbraw/zinc/27/26/03/680272603.db2.gz	MOPZUPXVHVCHCV-OTWHNJEPSA-N	1	1	350.503	2.317	20	30		FEEDMO
O=[N+]([O-])c1ccc(OC(F)F)c(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c1	ZINC000753927504	680324829	/nfs/dbraw/zinc/32/48/29/680324829.db2.gz	CRPPEEDBGTWBFF-VXGBXAGGSA-N	1	1	353.329	2.390	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)C[C@H]21	ZINC001025791277	680338509	/nfs/dbraw/zinc/33/85/09/680338509.db2.gz	JMLGBFYUPSUDHL-QROFKTNTSA-N	1	1	354.441	2.449	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(OC)ns1	ZINC001027889483	680362163	/nfs/dbraw/zinc/36/21/63/680362163.db2.gz	AFXVQCZHGKMUDY-IMJJTQAJSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(OC)ns1	ZINC001027889483	680362167	/nfs/dbraw/zinc/36/21/67/680362167.db2.gz	AFXVQCZHGKMUDY-IMJJTQAJSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1	ZINC000997762936	680365339	/nfs/dbraw/zinc/36/53/39/680365339.db2.gz	QMVNDSCMSPOGKS-NUEKZKHPSA-N	1	1	350.894	2.493	20	30		FEEDMO
C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000998045314	680373241	/nfs/dbraw/zinc/37/32/41/680373241.db2.gz	JVCDEYVMYPPPCY-KFWWJZLASA-N	1	1	364.408	2.222	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1	ZINC001028695390	680380249	/nfs/dbraw/zinc/38/02/49/680380249.db2.gz	PVABGPIQSIYVPB-CBBWQLFWSA-N	1	1	357.292	2.148	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1	ZINC001028695390	680380251	/nfs/dbraw/zinc/38/02/51/680380251.db2.gz	PVABGPIQSIYVPB-CBBWQLFWSA-N	1	1	357.292	2.148	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)s1	ZINC001028703004	680381225	/nfs/dbraw/zinc/38/12/25/680381225.db2.gz	ZKZJADCZQIEMDG-XWIAVFTESA-N	1	1	359.495	2.373	20	30		FEEDMO
C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001029848762	680393731	/nfs/dbraw/zinc/39/37/31/680393731.db2.gz	FPZQKOJQYYSIGX-DTDBQYNISA-N	1	1	359.495	2.468	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)NC2CN(CC#Cc3ccc(Cl)cc3)C2)CC[N@H+]1C	ZINC001030339370	680398341	/nfs/dbraw/zinc/39/83/41/680398341.db2.gz	QEDLUIZCCOIXIB-RBUKOAKNSA-N	1	1	359.901	2.222	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C3CC3)s2)C1	ZINC000999427814	680403237	/nfs/dbraw/zinc/40/32/37/680403237.db2.gz	NYWXWWOSSANMMT-CVSAEHQPSA-N	1	1	362.499	2.086	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3C3CCC3)nn2)C1	ZINC001000026763	680417636	/nfs/dbraw/zinc/41/76/36/680417636.db2.gz	CSHFDOSDQSSBOQ-IXDOHACOSA-N	1	1	363.893	2.330	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3C3CCC3)nn2)C1	ZINC001000026763	680417638	/nfs/dbraw/zinc/41/76/38/680417638.db2.gz	CSHFDOSDQSSBOQ-IXDOHACOSA-N	1	1	363.893	2.330	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1	ZINC001034753343	680439826	/nfs/dbraw/zinc/43/98/26/680439826.db2.gz	JHQLPCSTSFKVLY-OTRWWLKZSA-N	1	1	364.515	2.426	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCOc1ccc(Br)cc1	ZINC000836259409	680442138	/nfs/dbraw/zinc/44/21/38/680442138.db2.gz	ICZGDSDCFIHFDT-UHFFFAOYSA-N	1	1	368.275	2.082	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCC2CCC2)CCO1	ZINC001035370614	680445121	/nfs/dbraw/zinc/44/51/21/680445121.db2.gz	NRBLRLXQKJLARR-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC([N@@H+](C)C[C@H]2CCOC2)CC1	ZINC000985693235	680470653	/nfs/dbraw/zinc/47/06/53/680470653.db2.gz	SOOKXJWASNLBBG-NEWSRXKRSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C	ZINC000836488142	680475826	/nfs/dbraw/zinc/47/58/26/680475826.db2.gz	HGJAFIJRINVNQT-KRWDZBQOSA-N	1	1	350.894	2.197	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C	ZINC000836488142	680475829	/nfs/dbraw/zinc/47/58/29/680475829.db2.gz	HGJAFIJRINVNQT-KRWDZBQOSA-N	1	1	350.894	2.197	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1	ZINC000836488775	680476079	/nfs/dbraw/zinc/47/60/79/680476079.db2.gz	NKGBHRZUJXXPSK-MRXNPFEDSA-N	1	1	351.491	2.095	20	30		FEEDMO
C[C@@H]1CC(N=Nc2ccc(S(N)(=O)=O)cc2)C[N@H+]1Cc1ccccc1	ZINC000757560134	680526085	/nfs/dbraw/zinc/52/60/85/680526085.db2.gz	DFZTUYYLQPFXRK-CQSZACIVSA-N	1	1	358.467	2.396	20	30		FEEDMO
C[C@@H]1CN(c2nc(C#N)c(Cl)s2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C	ZINC001042633672	680537171	/nfs/dbraw/zinc/53/71/71/680537171.db2.gz	GSQLRTNYKNVCQW-RAIGVLPGSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2	ZINC001003861358	680544445	/nfs/dbraw/zinc/54/44/45/680544445.db2.gz	BDGBCUJHAMKEJD-LVQVYYBASA-N	1	1	367.921	2.498	20	30		FEEDMO
C[N@H+]1CCCC(=NNS(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000758095635	680555205	/nfs/dbraw/zinc/55/52/05/680555205.db2.gz	XVGDWRKOFFUVAM-UHFFFAOYSA-N	1	1	360.277	2.199	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1Nc1snc(Cl)c1C#N	ZINC001043095266	680560476	/nfs/dbraw/zinc/56/04/76/680560476.db2.gz	LGYHOVCMKRRVGI-YUSALJHKSA-N	1	1	353.879	2.021	20	30		FEEDMO
Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](Nc2nc(C#N)c(Cl)s2)C1	ZINC001043206584	680566056	/nfs/dbraw/zinc/56/60/56/680566056.db2.gz	UIBYXIFOYPRSAT-BXKDBHETSA-N	1	1	364.862	2.132	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1Nc1snc(Cl)c1C#N	ZINC001043251201	680569528	/nfs/dbraw/zinc/56/95/28/680569528.db2.gz	LPGAUDHHERXLMA-NTZNESFSSA-N	1	1	367.906	2.269	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(C(C)C)s1	ZINC001045208964	680624583	/nfs/dbraw/zinc/62/45/83/680624583.db2.gz	OROHGZSYDOMPKB-ZNMIVQPWSA-N	1	1	364.515	2.333	20	30		FEEDMO
C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@H+](Cc2ccc(C#N)s2)C1	ZINC001046388706	680648362	/nfs/dbraw/zinc/64/83/62/680648362.db2.gz	UXMIMVULWXBEPM-RKVPGOIHSA-N	1	1	355.467	2.227	20	30		FEEDMO
C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC001046388706	680648363	/nfs/dbraw/zinc/64/83/63/680648363.db2.gz	UXMIMVULWXBEPM-RKVPGOIHSA-N	1	1	355.467	2.227	20	30		FEEDMO
C#CCCC[NH+]1CCN(S(=O)(=O)c2cccc3cc(C)cnc32)CC1	ZINC000766895515	680891926	/nfs/dbraw/zinc/89/19/26/680891926.db2.gz	OQSGTIWQQLXNBB-UHFFFAOYSA-N	1	1	357.479	2.263	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1c1snc(Cl)c1C#N	ZINC001050454634	681048398	/nfs/dbraw/zinc/04/83/98/681048398.db2.gz	MIYXONQCQVSQCF-MDZLAQPJSA-N	1	1	367.906	2.093	20	30		FEEDMO
C[N@H+](CC(=O)OCc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCSC1	ZINC000772049770	681081430	/nfs/dbraw/zinc/08/14/30/681081430.db2.gz	PHRZFMASWNDCLY-AWEZNQCLSA-N	1	1	358.423	2.089	20	30		FEEDMO
C[N@@H+](CC(=O)OCc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCSC1	ZINC000772049770	681081432	/nfs/dbraw/zinc/08/14/32/681081432.db2.gz	PHRZFMASWNDCLY-AWEZNQCLSA-N	1	1	358.423	2.089	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2	ZINC001054170565	681106286	/nfs/dbraw/zinc/10/62/86/681106286.db2.gz	GODNNMXNIFMDBE-IMBTUZDBSA-N	1	1	368.905	2.105	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1sc(Br)cc1C	ZINC000845940587	681163764	/nfs/dbraw/zinc/16/37/64/681163764.db2.gz	XJSKXFUAKGFJSS-UHFFFAOYSA-N	1	1	365.318	2.052	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001058257945	681169630	/nfs/dbraw/zinc/16/96/30/681169630.db2.gz	JMSJGYHWFLXUEQ-IJLUTSLNSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC000944040733	681191553	/nfs/dbraw/zinc/19/15/53/681191553.db2.gz	NZNXDDQMXJLZLC-BPLDGKMQSA-N	1	1	355.910	2.213	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]2CC1	ZINC000946595342	681244572	/nfs/dbraw/zinc/24/45/72/681244572.db2.gz	UIIYEMOOTYFNRB-FQBWVUSXSA-N	1	1	350.503	2.173	20	30		FEEDMO
COc1ncc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1C#N	ZINC000932507856	681258540	/nfs/dbraw/zinc/25/85/40/681258540.db2.gz	HXEKJVUIUSFNMB-UHFFFAOYSA-N	1	1	357.439	2.203	20	30		FEEDMO
COc1ncc(NC(=O)NCC[N@H+]2CCc3sccc3C2)cc1C#N	ZINC000932507856	681258544	/nfs/dbraw/zinc/25/85/44/681258544.db2.gz	HXEKJVUIUSFNMB-UHFFFAOYSA-N	1	1	357.439	2.203	20	30		FEEDMO
C#CCCCNC(=O)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000775079959	681273473	/nfs/dbraw/zinc/27/34/73/681273473.db2.gz	JEJJFNARNZNRNA-KRWDZBQOSA-N	1	1	361.873	2.123	20	30		FEEDMO
N#CCCNC(=O)C[N@H+]1CCC[C@H]1COc1ccc(Br)cc1	ZINC000932882940	681322495	/nfs/dbraw/zinc/32/24/95/681322495.db2.gz	DSZJXBAMOHUAFM-AWEZNQCLSA-N	1	1	366.259	2.322	20	30		FEEDMO
N#CCCNC(=O)C[N@@H+]1CCC[C@H]1COc1ccc(Br)cc1	ZINC000932882940	681322499	/nfs/dbraw/zinc/32/24/99/681322499.db2.gz	DSZJXBAMOHUAFM-AWEZNQCLSA-N	1	1	366.259	2.322	20	30		FEEDMO
N#CC[C@H](NC(=O)N1CC[NH+](CCc2cccs2)CC1)C(F)(F)F	ZINC000932922326	681328943	/nfs/dbraw/zinc/32/89/43/681328943.db2.gz	LTODCYVNJWZZJI-ZDUSSCGKSA-N	1	1	360.405	2.462	20	30		FEEDMO
CCOC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932943875	681332396	/nfs/dbraw/zinc/33/23/96/681332396.db2.gz	QCOQNEKZFGYBMC-HLTSFMKQSA-N	1	1	371.268	2.487	20	30		FEEDMO
OCCOCC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932945450	681332928	/nfs/dbraw/zinc/33/29/28/681332928.db2.gz	XINIVIOSCOYXMH-OCAPTIKFSA-N	1	1	357.241	2.098	20	30		FEEDMO
C#C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCO1	ZINC000775784092	681334846	/nfs/dbraw/zinc/33/48/46/681334846.db2.gz	GSUQNYMBORHPCB-WXHSDQCUSA-N	1	1	352.337	2.106	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)c(C)c1)[C@H]1CCCO1	ZINC000775786663	681335202	/nfs/dbraw/zinc/33/52/02/681335202.db2.gz	ZJUJXEPUQSRZIK-HUUCEWRRSA-N	1	1	351.244	2.466	20	30		FEEDMO
C[C@@H]([NH2+][C@H](CO)c1ccccc1C(F)(F)F)C(=O)NC1(C#N)CCC1	ZINC000933241248	681379191	/nfs/dbraw/zinc/37/91/91/681379191.db2.gz	JSTINJXDBPHGLP-BXUZGUMPSA-N	1	1	355.360	2.279	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH2+]C1(c2ncccn2)CCOCC1	ZINC000933343717	681396813	/nfs/dbraw/zinc/39/68/13/681396813.db2.gz	VMLWESMQOOBOOE-UHFFFAOYSA-N	1	1	357.439	2.034	20	30		FEEDMO
C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCCCC2=NNC2CCS(=O)(=O)CC2)C1	ZINC000776793083	681436435	/nfs/dbraw/zinc/43/64/35/681436435.db2.gz	KUUJNKCYKABGFN-IIDMSEBBSA-N	1	1	355.548	2.430	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)CC(O)C[N@@H+](C)Cc1cc(C#N)cs1	ZINC000933773334	681466469	/nfs/dbraw/zinc/46/64/69/681466469.db2.gz	KDRGSSCHEVJSQV-UHFFFAOYSA-N	1	1	360.508	2.478	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2ccc(F)cc2Br)CC1	ZINC000777133474	681467837	/nfs/dbraw/zinc/46/78/37/681467837.db2.gz	DGEWCNMCIOUGKH-UHFFFAOYSA-N	1	1	353.235	2.298	20	30		FEEDMO
CN(C)S(=O)(=O)c1ccccc1N=NC1CCC[N@H+]2CCCC[C@H]12	ZINC000848410062	681536707	/nfs/dbraw/zinc/53/67/07/681536707.db2.gz	IFHMFTBRUASDQG-MRXNPFEDSA-N	1	1	350.488	2.353	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1csc(C#N)c1)c1cccs1	ZINC000913846841	685486529	/nfs/dbraw/zinc/48/65/29/685486529.db2.gz	IXQWXNMUMCRSHB-ZDUSSCGKSA-N	1	1	355.510	2.404	20	30		FEEDMO
CC1(C)C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1NC(=O)[C@]12C[C@H]1COC2	ZINC000940759078	682080499	/nfs/dbraw/zinc/08/04/99/682080499.db2.gz	FTZAKUHFMHUOIR-CRFBAAHOSA-N	1	1	359.495	2.373	20	30		FEEDMO
C=CC[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C(C)C	ZINC000917167159	685530188	/nfs/dbraw/zinc/53/01/88/685530188.db2.gz	XQHXBKWIUPSQSR-UHFFFAOYSA-N	1	1	368.275	2.400	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(C)C	ZINC000917167033	685530191	/nfs/dbraw/zinc/53/01/91/685530191.db2.gz	PMHBCWGPMRNBPE-UHFFFAOYSA-N	1	1	365.499	2.306	20	30		FEEDMO
C=CC[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(C)C	ZINC000917167033	685530192	/nfs/dbraw/zinc/53/01/92/685530192.db2.gz	PMHBCWGPMRNBPE-UHFFFAOYSA-N	1	1	365.499	2.306	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC[C@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852359748	682266224	/nfs/dbraw/zinc/26/62/24/682266224.db2.gz	LWUSKDOJQJILJW-HNNXBMFYSA-N	1	1	358.269	2.281	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](O)c1ccc(Cl)c(Cl)c1	ZINC000852359749	682266181	/nfs/dbraw/zinc/26/61/81/682266181.db2.gz	LWUSKDOJQJILJW-OAHLLOKOSA-N	1	1	358.269	2.281	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]21	ZINC000972339382	682407364	/nfs/dbraw/zinc/40/73/64/682407364.db2.gz	DQADDDNLUFDVPI-FVQBIDKESA-N	1	1	367.921	2.309	20	30		FEEDMO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1	ZINC000853684231	682456143	/nfs/dbraw/zinc/45/61/43/682456143.db2.gz	NRFBQHOENKPLQA-INIZCTEOSA-N	1	1	351.491	2.093	20	30		FEEDMO
C#CCCCNC(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1	ZINC000787612518	682468137	/nfs/dbraw/zinc/46/81/37/682468137.db2.gz	YUWBQJNYSQXEEH-KRWDZBQOSA-N	1	1	361.873	2.123	20	30		FEEDMO
C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(CC#N)c2)C1	ZINC000794586792	682982257	/nfs/dbraw/zinc/98/22/57/682982257.db2.gz	CODPTMLBWCUFEB-QGZVFWFLSA-N	1	1	355.463	2.434	20	30		FEEDMO
Cn1c(CC#N)nn(CN2CCC[N@@H+](Cc3ccccc3)CC2)c1=S	ZINC000794616913	682984196	/nfs/dbraw/zinc/98/41/96/682984196.db2.gz	PAYKWYUMYYTACB-UHFFFAOYSA-N	1	1	356.499	2.183	20	30		FEEDMO
Cn1c(CC#N)nn(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1=S	ZINC000794638178	682986299	/nfs/dbraw/zinc/98/62/99/682986299.db2.gz	AVVXUVPQPNEGRL-UHFFFAOYSA-N	1	1	361.446	2.409	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2nc(C(F)(F)F)n3c2CCCC3)CC1	ZINC000859003838	683024778	/nfs/dbraw/zinc/02/47/78/683024778.db2.gz	VSYBXIJSEWVODN-UHFFFAOYSA-N	1	1	354.376	2.019	20	30		FEEDMO
CC1(C)C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@](C)(C(F)(F)F)O1	ZINC000859315473	683081073	/nfs/dbraw/zinc/08/10/73/683081073.db2.gz	DRMRCUJMEVTHTD-ZFWWWQNUSA-N	1	1	364.408	2.490	20	30		FEEDMO
CC1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@](C)(C(F)(F)F)O1	ZINC000859315473	683081078	/nfs/dbraw/zinc/08/10/78/683081078.db2.gz	DRMRCUJMEVTHTD-ZFWWWQNUSA-N	1	1	364.408	2.490	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O)OCC	ZINC000926260087	683100285	/nfs/dbraw/zinc/10/02/85/683100285.db2.gz	WRWFCIGMOOKZHC-VROUVPMXSA-N	1	1	352.519	2.344	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)C1=O	ZINC000799145857	683427281	/nfs/dbraw/zinc/42/72/81/683427281.db2.gz	OLBQOWZWWPNBLX-PMPSAXMXSA-N	1	1	351.491	2.399	20	30		FEEDMO
C[C@@H]1[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@H+]1C	ZINC000928428143	683449275	/nfs/dbraw/zinc/44/92/75/683449275.db2.gz	MCUROOAYVXOUMJ-RBSFLKMASA-N	1	1	352.479	2.172	20	30		FEEDMO
COc1cccc(-c2nc(C=NNCCC[NH+]3CCOCC3)cs2)c1	ZINC000799490296	683460243	/nfs/dbraw/zinc/46/02/43/683460243.db2.gz	YACNHFRGFXYQNY-UHFFFAOYSA-N	1	1	360.483	2.465	20	30		FEEDMO
CCN(CC)S(=O)(=O)N1CC[NH+](CCCCC2(C#N)CCC2)CC1	ZINC000929199401	683560726	/nfs/dbraw/zinc/56/07/26/683560726.db2.gz	SIXXLMXTGWUNRD-UHFFFAOYSA-N	1	1	356.536	2.055	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C1	ZINC000930433853	683731701	/nfs/dbraw/zinc/73/17/01/683731701.db2.gz	DYHSDFFRJIDGMI-HNNXBMFYSA-N	1	1	361.877	2.455	20	30		FEEDMO
CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CCC#N)C2	ZINC000922486171	683733389	/nfs/dbraw/zinc/73/33/89/683733389.db2.gz	PWTDKOGPVGDUNM-JEWRLFTDSA-N	1	1	350.507	2.095	20	30		FEEDMO
N#CC[C@@H](O)C[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1	ZINC000930679462	683769935	/nfs/dbraw/zinc/76/99/35/683769935.db2.gz	FGECNIIOMTVVAR-LJQANCHMSA-N	1	1	362.905	2.201	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@@H](CC(=C)Cl)NC(=O)OC(C)(C)C)CC1	ZINC000865086407	683933791	/nfs/dbraw/zinc/93/37/91/683933791.db2.gz	ZXKRCFLSVXTRSH-OAHLLOKOSA-N	1	1	369.893	2.190	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(c2cc(C(F)(F)F)cc(C#N)n2)[C@@H](C)C1	ZINC000865655436	684010904	/nfs/dbraw/zinc/01/09/04/684010904.db2.gz	BBGWPKVFXBMYAP-NSHDSACASA-N	1	1	356.348	2.046	20	30		FEEDMO
C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(C#N)c1O	ZINC000866367895	684095094	/nfs/dbraw/zinc/09/50/94/684095094.db2.gz	QYGUZJQWXJEDSY-CYBMUJFWSA-N	1	1	359.451	2.365	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1=CC[N@@H+](C)CC1	ZINC000867229518	684229850	/nfs/dbraw/zinc/22/98/50/684229850.db2.gz	JOIXKZLXSRDOOL-CQSZACIVSA-N	1	1	357.882	2.400	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C1	ZINC000923570110	684306741	/nfs/dbraw/zinc/30/67/41/684306741.db2.gz	IIOLSIHJYNQKFY-CQSZACIVSA-N	1	1	362.861	2.261	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C1	ZINC000923570110	684306745	/nfs/dbraw/zinc/30/67/45/684306745.db2.gz	IIOLSIHJYNQKFY-CQSZACIVSA-N	1	1	362.861	2.261	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1	ZINC000923565261	684307163	/nfs/dbraw/zinc/30/71/63/684307163.db2.gz	FBLGAZFTNDSSJN-LBPRGKRZSA-N	1	1	353.325	2.024	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1	ZINC000923565261	684307168	/nfs/dbraw/zinc/30/71/68/684307168.db2.gz	FBLGAZFTNDSSJN-LBPRGKRZSA-N	1	1	353.325	2.024	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(OC)ccc2Br)C1	ZINC000923592912	684310183	/nfs/dbraw/zinc/31/01/83/684310183.db2.gz	DPYGPWVQMRENRR-GFCCVEGCSA-N	1	1	351.244	2.285	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(OC)ccc2Br)C1	ZINC000923592912	684310185	/nfs/dbraw/zinc/31/01/85/684310185.db2.gz	DPYGPWVQMRENRR-GFCCVEGCSA-N	1	1	351.244	2.285	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c(CSC)nc3ccccc32)C1	ZINC000923591397	684310375	/nfs/dbraw/zinc/31/03/75/684310375.db2.gz	ZEYFYDQLQWOPIL-OAHLLOKOSA-N	1	1	356.495	2.113	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c(CSC)nc3ccccc32)C1	ZINC000923591397	684310376	/nfs/dbraw/zinc/31/03/76/684310376.db2.gz	ZEYFYDQLQWOPIL-OAHLLOKOSA-N	1	1	356.495	2.113	20	30		FEEDMO
C[C@@]1([C@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)COC(=O)N1	ZINC000932026544	684392856	/nfs/dbraw/zinc/39/28/56/684392856.db2.gz	SPROSAQYVIFGGD-GUYCJALGSA-N	1	1	362.455	2.159	20	30		FEEDMO
N#CCc1ccsc1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000869241409	684596457	/nfs/dbraw/zinc/59/64/57/684596457.db2.gz	FNGZIGBSJQNXNV-QGZVFWFLSA-N	1	1	355.463	2.311	20	30		FEEDMO
Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc(Cl)c(C#N)s2)cn1	ZINC000875681763	686063571	/nfs/dbraw/zinc/06/35/71/686063571.db2.gz	KDELKDYWJUYJQI-QWRGUYRKSA-N	1	1	364.862	2.076	20	30		FEEDMO
C=CCNC(=O)C[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1	ZINC000879615202	686870577	/nfs/dbraw/zinc/87/05/77/686870577.db2.gz	HYQMDTBNRLSVTE-UHFFFAOYSA-N	1	1	351.516	2.112	20	30		FEEDMO
COCC#CC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1	ZINC000880024243	686977239	/nfs/dbraw/zinc/97/72/39/686977239.db2.gz	HIMCKGMYSSKEGF-QWHCGFSZSA-N	1	1	350.381	2.271	20	30		FEEDMO
COCC#CC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1	ZINC000880024243	686977245	/nfs/dbraw/zinc/97/72/45/686977245.db2.gz	HIMCKGMYSSKEGF-QWHCGFSZSA-N	1	1	350.381	2.271	20	30		FEEDMO
N#CCSCCC[N@@H+]1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2	ZINC000880496462	687054788	/nfs/dbraw/zinc/05/47/88/687054788.db2.gz	WLLGIPYOIUALGE-IBGZPJMESA-N	1	1	359.495	2.137	20	30		FEEDMO
C[C@@H]1COCC[N@H+]1C1CCN(c2ncc(C#N)cc2Br)CC1	ZINC000882539878	687388928	/nfs/dbraw/zinc/38/89/28/687388928.db2.gz	FVBHVFWWLAAWJP-GFCCVEGCSA-N	1	1	365.275	2.405	20	30		FEEDMO
C[C@@H](NC(=O)Nc1ccc(Br)c(C#N)n1)C1=CC[N@@H+](C)CC1	ZINC000883101684	687564797	/nfs/dbraw/zinc/56/47/97/687564797.db2.gz	QNKSJZGEISEMBF-SNVBAGLBSA-N	1	1	364.247	2.488	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883113750	687569135	/nfs/dbraw/zinc/56/91/35/687569135.db2.gz	CAEVSPPCKSBOLD-JTQLQIEISA-N	1	1	352.236	2.274	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1	ZINC000883751911	687716796	/nfs/dbraw/zinc/71/67/96/687716796.db2.gz	ZSJOXTNVBPYLHD-IRXDYDNUSA-N	1	1	353.507	2.110	20	30		FEEDMO
C[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@](C)(C#N)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000893896121	689424842	/nfs/dbraw/zinc/42/48/42/689424842.db2.gz	PTMBEKPOEJDBEH-BQFCYCMXSA-N	1	1	362.861	2.409	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N2CCO[C@@](C)(C#N)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000893896121	689424846	/nfs/dbraw/zinc/42/48/46/689424846.db2.gz	PTMBEKPOEJDBEH-BQFCYCMXSA-N	1	1	362.861	2.409	20	30		FEEDMO
C#CC1(O)CC[NH+](Cc2ccc(C(=O)OC)cc2Br)CC1	ZINC000895384430	689707427	/nfs/dbraw/zinc/70/74/27/689707427.db2.gz	NSGZSXOQIXSKKX-UHFFFAOYSA-N	1	1	352.228	2.196	20	30		FEEDMO
CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cc(C#N)cnc2Cl)CCC1	ZINC000896283468	689849261	/nfs/dbraw/zinc/84/92/61/689849261.db2.gz	RBKPODYYBWFICT-UHFFFAOYSA-N	1	1	370.906	2.337	20	30		FEEDMO
N#Cc1cnc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(Br)c1	ZINC000896525789	689885285	/nfs/dbraw/zinc/88/52/85/689885285.db2.gz	PBTAGYMBHYWTQV-ZDUSSCGKSA-N	1	1	351.248	2.381	20	30		FEEDMO
N#Cc1cnc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c(Br)c1	ZINC000896525789	689885287	/nfs/dbraw/zinc/88/52/87/689885287.db2.gz	PBTAGYMBHYWTQV-ZDUSSCGKSA-N	1	1	351.248	2.381	20	30		FEEDMO
O=C(c1cccc(C#CCO)c1)N1CC[NH+](CCc2cccs2)CC1	ZINC000900350579	690506106	/nfs/dbraw/zinc/50/61/06/690506106.db2.gz	YXRBACGPVUYKFN-UHFFFAOYSA-N	1	1	354.475	2.092	20	30		FEEDMO
COc1cc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)ncc1C#N	ZINC001164649734	719306907	/nfs/dbraw/zinc/30/69/07/719306907.db2.gz	XNOJMLGJOCOQBQ-UHFFFAOYSA-N	1	1	354.458	2.364	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(OC)c1C#N)C2	ZINC001164814365	720100870	/nfs/dbraw/zinc/10/08/70/720100870.db2.gz	SDAGLHRWHIGOES-JXFKEZNVSA-N	1	1	356.470	2.147	20	30		FEEDMO
N#Cc1c2c(cnc1N1CC[C@@H]3[C@@H]1CCN3Cc1cccnc1)C[NH2+]CCC2	ZINC001164723637	720330055	/nfs/dbraw/zinc/33/00/55/720330055.db2.gz	IHKGSIHGOPRAMG-RTWAWAEBSA-N	1	1	374.492	2.237	20	30		FEEDMO
N#Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1	ZINC001164725987	720380460	/nfs/dbraw/zinc/38/04/60/720380460.db2.gz	OIQILEPZNHGSLZ-CVEARBPZSA-N	1	1	350.382	2.110	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc3c(C#N)c[nH]c3n1)[C@@H]2C	ZINC001164859870	720986444	/nfs/dbraw/zinc/98/64/44/720986444.db2.gz	MXGLVJVGWSZODW-CYBMUJFWSA-N	1	1	364.457	2.447	20	30		FEEDMO
Cc1ccc(C#N)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164891894	721393235	/nfs/dbraw/zinc/39/32/35/721393235.db2.gz	RJMOVONTNSXJLC-PZJWPPBQSA-N	1	1	369.513	2.027	20	30		FEEDMO
C=CCNC(=O)c1cccnc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164782710	721425956	/nfs/dbraw/zinc/42/59/56/721425956.db2.gz	HKXCYHZXVYTBLN-GASCZTMLSA-N	1	1	369.494	2.022	20	30		FEEDMO
C=CCNC(=O)c1cccnc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164782710	721425957	/nfs/dbraw/zinc/42/59/57/721425957.db2.gz	HKXCYHZXVYTBLN-GASCZTMLSA-N	1	1	369.494	2.022	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2C#N)[C@H]2CCCO[C@@H]12	ZINC001164811155	721542088	/nfs/dbraw/zinc/54/20/88/721542088.db2.gz	YWRBRNJIUOIKHB-XUVXKRRUSA-N	1	1	374.448	2.088	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2C#N)[C@H]2CCCO[C@@H]12	ZINC001164811155	721542092	/nfs/dbraw/zinc/54/20/92/721542092.db2.gz	YWRBRNJIUOIKHB-XUVXKRRUSA-N	1	1	374.448	2.088	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2F)[C@H]2CCCO[C@H]12	ZINC001164809367	721568188	/nfs/dbraw/zinc/56/81/88/721568188.db2.gz	WPBDEDVNHIFLHV-OTWHNJEPSA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2F)[C@H]2CCCO[C@H]12	ZINC001164809367	721568191	/nfs/dbraw/zinc/56/81/91/721568191.db2.gz	WPBDEDVNHIFLHV-OTWHNJEPSA-N	1	1	367.428	2.356	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](c1ccco1)[NH+](C)C	ZINC000029256467	539848871	/nfs/dbraw/zinc/84/88/71/539848871.db2.gz	XQQKMHRVASEUMF-KRWDZBQOSA-N	1	1	357.458	2.358	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)nc1	ZINC000033541983	539974871	/nfs/dbraw/zinc/97/48/71/539974871.db2.gz	SHFGGVAHQZVLFQ-KRWDZBQOSA-N	1	1	372.856	2.169	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)N2CCCCC2)CC1	ZINC000041106458	540012349	/nfs/dbraw/zinc/01/23/49/540012349.db2.gz	XTTUWCQGVGSOKK-QGZVFWFLSA-N	1	1	374.529	2.442	20	30		FEEDMO
N#Cc1ccccc1N1CCC[N@H+](CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000046086935	540241517	/nfs/dbraw/zinc/24/15/17/540241517.db2.gz	ULDCOBIINNVTNO-UHFFFAOYSA-N	1	1	374.444	2.367	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)N(C)Cc2ccc(C#N)cc2)CC1	ZINC000046753590	540269577	/nfs/dbraw/zinc/26/95/77/540269577.db2.gz	VHNSPIGMDRDVEX-UHFFFAOYSA-N	1	1	357.502	2.117	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1	ZINC000047257234	540299174	/nfs/dbraw/zinc/29/91/74/540299174.db2.gz	FKPWJBRYLDGYIU-UHFFFAOYSA-N	1	1	368.437	2.277	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1	ZINC000047257234	540299177	/nfs/dbraw/zinc/29/91/77/540299177.db2.gz	FKPWJBRYLDGYIU-UHFFFAOYSA-N	1	1	368.437	2.277	20	30		FEEDMO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@@H+]1CCCC[C@@H]1C	ZINC000047144131	540292688	/nfs/dbraw/zinc/29/26/88/540292688.db2.gz	WURHJDIFOGEYLB-AWEZNQCLSA-N	1	1	368.485	2.141	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1	ZINC000051557655	540437445	/nfs/dbraw/zinc/43/74/45/540437445.db2.gz	YJADKINUSHOORB-OALUTQOASA-N	1	1	371.481	2.022	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)c2sccc2C#N)c2cccs2)CC1	ZINC000052147367	540455586	/nfs/dbraw/zinc/45/55/86/540455586.db2.gz	OVIQTXFHWJEJTK-CQSZACIVSA-N	1	1	360.508	2.400	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1	ZINC000052158253	540456802	/nfs/dbraw/zinc/45/68/02/540456802.db2.gz	OORAVHLCNOVCNH-HXUWFJFHSA-N	1	1	362.518	2.011	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c1	ZINC000052931289	540500902	/nfs/dbraw/zinc/50/09/02/540500902.db2.gz	CAAXLSOHNQWCOG-KRWDZBQOSA-N	1	1	354.454	2.125	20	30		FEEDMO
Cc1csc(=O)n1CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000054454805	540591152	/nfs/dbraw/zinc/59/11/52/540591152.db2.gz	DEEDEKAAZMFXNN-UHFFFAOYSA-N	1	1	356.495	2.298	20	30		FEEDMO
Cc1csc(=O)n1CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000054454805	540591155	/nfs/dbraw/zinc/59/11/55/540591155.db2.gz	DEEDEKAAZMFXNN-UHFFFAOYSA-N	1	1	356.495	2.298	20	30		FEEDMO
Cc1csc(=O)n1CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000054454805	540591158	/nfs/dbraw/zinc/59/11/58/540591158.db2.gz	DEEDEKAAZMFXNN-UHFFFAOYSA-N	1	1	356.495	2.298	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1	ZINC000054851223	540614801	/nfs/dbraw/zinc/61/48/01/540614801.db2.gz	GTWDOGQXHHZFMH-HNNXBMFYSA-N	1	1	372.469	2.132	20	30		FEEDMO
C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCOc1ccc(C#N)cc1	ZINC000057842865	540818970	/nfs/dbraw/zinc/81/89/70/540818970.db2.gz	SAEVQENPBCVBTQ-CQSZACIVSA-N	1	1	359.451	2.277	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000060016028	540867451	/nfs/dbraw/zinc/86/74/51/540867451.db2.gz	NPAZCFPJZSRALB-OWCLPIDISA-N	1	1	359.470	2.428	20	30		FEEDMO
C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064634205	541213291	/nfs/dbraw/zinc/21/32/91/541213291.db2.gz	OFCFYUBAEAAUCG-KRWDZBQOSA-N	1	1	355.486	2.112	20	30		FEEDMO
C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064634205	541213296	/nfs/dbraw/zinc/21/32/96/541213296.db2.gz	OFCFYUBAEAAUCG-KRWDZBQOSA-N	1	1	355.486	2.112	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccccc1	ZINC000066622605	541348924	/nfs/dbraw/zinc/34/89/24/541348924.db2.gz	SLBVXDZULNBJTA-LJQANCHMSA-N	1	1	368.481	2.410	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1	ZINC000067321800	541443979	/nfs/dbraw/zinc/44/39/79/541443979.db2.gz	WDIFIGBTOUHTRF-INIZCTEOSA-N	1	1	357.410	2.202	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@H+]1CCCC[C@@H]1C	ZINC000067326506	541445158	/nfs/dbraw/zinc/44/51/58/541445158.db2.gz	NFTBMVBJBDXJLW-HNNXBMFYSA-N	1	1	372.469	2.276	20	30		FEEDMO
Cc1nc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccc1C#N	ZINC000067809121	541515815	/nfs/dbraw/zinc/51/58/15/541515815.db2.gz	OGAXKEZMKWNCPH-OAHLLOKOSA-N	1	1	364.449	2.412	20	30		FEEDMO
Cc1nc(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccc1C#N	ZINC000067809121	541515820	/nfs/dbraw/zinc/51/58/20/541515820.db2.gz	OGAXKEZMKWNCPH-OAHLLOKOSA-N	1	1	364.449	2.412	20	30		FEEDMO
CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)C(=O)OC	ZINC000069520645	541693253	/nfs/dbraw/zinc/69/32/53/541693253.db2.gz	PLLRDTINEWTEBP-DNVCBOLYSA-N	1	1	359.470	2.473	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@@H+](CCC(N)=O)Cc3ccccc3)o2)c1	ZINC000072558353	541831549	/nfs/dbraw/zinc/83/15/49/541831549.db2.gz	RUUOYTYWGNMAAB-UHFFFAOYSA-N	1	1	361.405	2.486	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@H+](CCC(N)=O)Cc3ccccc3)o2)c1	ZINC000072558353	541831554	/nfs/dbraw/zinc/83/15/54/541831554.db2.gz	RUUOYTYWGNMAAB-UHFFFAOYSA-N	1	1	361.405	2.486	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000072664905	541847666	/nfs/dbraw/zinc/84/76/66/541847666.db2.gz	DXLMWUSSTACRHI-CABCVRRESA-N	1	1	359.430	2.065	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000072664905	541847669	/nfs/dbraw/zinc/84/76/69/541847669.db2.gz	DXLMWUSSTACRHI-CABCVRRESA-N	1	1	359.430	2.065	20	30		FEEDMO
Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCN(c3ncccc3C#N)CC2)c1	ZINC000073125350	541921251	/nfs/dbraw/zinc/92/12/51/541921251.db2.gz	KHPHNUSOWHVNBT-LJQANCHMSA-N	1	1	366.465	2.132	20	30		FEEDMO
Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCN(c2ncccc2C#N)CC1	ZINC000073125339	541921377	/nfs/dbraw/zinc/92/13/77/541921377.db2.gz	XTRJDXASZLTOQO-LJQANCHMSA-N	1	1	366.465	2.132	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2nc3ccccc3o2)CC1	ZINC000073882181	542010681	/nfs/dbraw/zinc/01/06/81/542010681.db2.gz	NMNDAXBDSJCKAJ-CYBMUJFWSA-N	1	1	356.426	2.408	20	30		FEEDMO
CN(C(=O)NC1CCN(CC#N)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000074878000	542133569	/nfs/dbraw/zinc/13/35/69/542133569.db2.gz	HDYDUDLYLYSYFX-HXUWFJFHSA-N	1	1	369.513	2.280	20	30		FEEDMO
CCCNC(=O)C1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000075596381	542191775	/nfs/dbraw/zinc/19/17/75/542191775.db2.gz	ARPPJLDZUHBCSB-UHFFFAOYSA-N	1	1	353.426	2.346	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)c1cc(C2CC2)nc(SC)c1C#N	ZINC000075665399	542196568	/nfs/dbraw/zinc/19/65/68/542196568.db2.gz	FMQMFZBSITWSDC-UHFFFAOYSA-N	1	1	362.499	2.251	20	30		FEEDMO
CN(CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000076109771	542234228	/nfs/dbraw/zinc/23/42/28/542234228.db2.gz	QJZFLFPQOUIYHE-GHTZIAJQSA-N	1	1	354.498	2.249	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(c2nc(CC)ns2)CC1	ZINC000076185125	542241087	/nfs/dbraw/zinc/24/10/87/542241087.db2.gz	SLZCZQHYQJLJIS-HNNXBMFYSA-N	1	1	365.547	2.426	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCN(c2nc(CC)ns2)CC1	ZINC000076185125	542241090	/nfs/dbraw/zinc/24/10/90/542241090.db2.gz	SLZCZQHYQJLJIS-HNNXBMFYSA-N	1	1	365.547	2.426	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000076333942	542262747	/nfs/dbraw/zinc/26/27/47/542262747.db2.gz	GLRDJLKBMPJCDL-ZIAGYGMSSA-N	1	1	372.494	2.372	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000077541612	542395177	/nfs/dbraw/zinc/39/51/77/542395177.db2.gz	PZAPNWIROFZHKB-CYBMUJFWSA-N	1	1	360.433	2.263	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)ccc1Cl	ZINC000551575654	674151878	/nfs/dbraw/zinc/15/18/78/674151878.db2.gz	JJFFRWJZULAJTR-UHFFFAOYSA-N	1	1	350.831	2.223	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1	ZINC000077817125	542423838	/nfs/dbraw/zinc/42/38/38/542423838.db2.gz	WXMWNWDETDSABS-KGLIPLIRSA-N	1	1	360.483	2.087	20	30		FEEDMO
N#Cc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)nc2ccc([N+](=O)[O-])cc12	ZINC000078404272	542460565	/nfs/dbraw/zinc/46/05/65/542460565.db2.gz	NFVREYPIOORWFX-AWEZNQCLSA-N	1	1	367.409	2.173	20	30		FEEDMO
COCCCNC(=O)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1	ZINC000079486329	542521455	/nfs/dbraw/zinc/52/14/55/542521455.db2.gz	WQZKDLTUDYHBES-UHFFFAOYSA-N	1	1	354.454	2.176	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](OCCCc2ccccc2)C1	ZINC000079503393	542523068	/nfs/dbraw/zinc/52/30/68/542523068.db2.gz	JRQQFSXLHZLUNI-AEFFLSMTSA-N	1	1	359.470	2.110	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000080927340	542616150	/nfs/dbraw/zinc/61/61/50/542616150.db2.gz	LSIKTXQFMPTOEM-QGZVFWFLSA-N	1	1	358.486	2.465	20	30		FEEDMO
C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCN(c2ccccn2)CC1	ZINC000080968597	542620428	/nfs/dbraw/zinc/62/04/28/542620428.db2.gz	AWZLJWJXDSLWDH-LJQANCHMSA-N	1	1	366.465	2.294	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(Sc2ccccn2)CC1	ZINC000081599538	542667339	/nfs/dbraw/zinc/66/73/39/542667339.db2.gz	XWLOOPUKNPYIRA-UHFFFAOYSA-N	1	1	357.483	2.294	20	30		FEEDMO
CNC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000081528569	542663300	/nfs/dbraw/zinc/66/33/00/542663300.db2.gz	UTRGTCWZWZNBHQ-SJORKVTESA-N	1	1	358.486	2.253	20	30		FEEDMO
C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089942501	542775948	/nfs/dbraw/zinc/77/59/48/542775948.db2.gz	VIGWAWLXIGVSBN-ZDUSSCGKSA-N	1	1	365.441	2.463	20	30		FEEDMO
C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089942501	542775950	/nfs/dbraw/zinc/77/59/50/542775950.db2.gz	VIGWAWLXIGVSBN-ZDUSSCGKSA-N	1	1	365.441	2.463	20	30		FEEDMO
Cn1cc[nH+]c1N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000089926810	542774524	/nfs/dbraw/zinc/77/45/24/542774524.db2.gz	HYRTYZALJXSIGF-UHFFFAOYSA-N	1	1	364.371	2.492	20	30		FEEDMO
Cn1ncnc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000091186115	542797057	/nfs/dbraw/zinc/79/70/57/542797057.db2.gz	VYPRTJAIPBQYKB-DLBZAZTESA-N	1	1	354.458	2.347	20	30		FEEDMO
C=CCNC(=O)c1ccc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1	ZINC000091478644	542810063	/nfs/dbraw/zinc/81/00/63/542810063.db2.gz	DTAFOZZCAOYBAJ-CALCHBBNSA-N	1	1	372.513	2.323	20	30		FEEDMO
N#Cc1ccc2ncc(C[NH+]3CCC(CC(=O)N4CCCC4)CC3)n2c1	ZINC000092056084	542842326	/nfs/dbraw/zinc/84/23/26/542842326.db2.gz	KBZKSZYAYDOKFW-UHFFFAOYSA-N	1	1	351.454	2.430	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1cccc(-n2cccn2)c1	ZINC000091936525	542833185	/nfs/dbraw/zinc/83/31/85/542833185.db2.gz	FHGMKBRYOCXQET-MRXNPFEDSA-N	1	1	359.437	2.245	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(-n2cccn2)c1	ZINC000091936525	542833187	/nfs/dbraw/zinc/83/31/87/542833187.db2.gz	FHGMKBRYOCXQET-MRXNPFEDSA-N	1	1	359.437	2.245	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C(N)=O)O1	ZINC000092007639	542837119	/nfs/dbraw/zinc/83/71/19/542837119.db2.gz	QXFOJSDGUPJGQU-FOIQADDNSA-N	1	1	365.433	2.212	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C(N)=O)O1	ZINC000092007639	542837122	/nfs/dbraw/zinc/83/71/22/542837122.db2.gz	QXFOJSDGUPJGQU-FOIQADDNSA-N	1	1	365.433	2.212	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1	ZINC000092798949	542888237	/nfs/dbraw/zinc/88/82/37/542888237.db2.gz	VLSANLFWXGHJNY-SFHVURJKSA-N	1	1	356.470	2.033	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+](C[C@H](O)c2c(F)cccc2F)CC1	ZINC000098136901	543023235	/nfs/dbraw/zinc/02/32/35/543023235.db2.gz	PELZLTVJNRTHET-KRWDZBQOSA-N	1	1	358.392	2.477	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@H](O)c2c(F)cccc2F)CC1	ZINC000098136901	543023236	/nfs/dbraw/zinc/02/32/36/543023236.db2.gz	PELZLTVJNRTHET-KRWDZBQOSA-N	1	1	358.392	2.477	20	30		FEEDMO
CCN1CC[NH+](CCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000101633234	543038537	/nfs/dbraw/zinc/03/85/37/543038537.db2.gz	PSUWTKRLWQRIJG-UHFFFAOYSA-N	1	1	367.415	2.201	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000101911510	543049137	/nfs/dbraw/zinc/04/91/37/543049137.db2.gz	SOSRPPQMNDJLTA-RDJZCZTQSA-N	1	1	356.470	2.369	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000101911510	543049141	/nfs/dbraw/zinc/04/91/41/543049141.db2.gz	SOSRPPQMNDJLTA-RDJZCZTQSA-N	1	1	356.470	2.369	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c1	ZINC000103284602	543101268	/nfs/dbraw/zinc/10/12/68/543101268.db2.gz	HSHXCCXHNRLVKK-IRXDYDNUSA-N	1	1	356.470	2.136	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1	ZINC000103466753	543108930	/nfs/dbraw/zinc/10/89/30/543108930.db2.gz	GGKXIGJXVBWTST-INIZCTEOSA-N	1	1	364.453	2.304	20	30		FEEDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000104074980	543122138	/nfs/dbraw/zinc/12/21/38/543122138.db2.gz	UPLRABOLOGAYLU-NWDGAFQWSA-N	1	1	360.483	2.023	20	30		FEEDMO
CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104713091	543138575	/nfs/dbraw/zinc/13/85/75/543138575.db2.gz	QVDGGXVDHGDJRJ-MRXNPFEDSA-N	1	1	359.470	2.333	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCc2cccc(C#N)c2)CC1	ZINC000105119788	543159971	/nfs/dbraw/zinc/15/99/71/543159971.db2.gz	WCOGXSKKWPDPNU-HDICACEKSA-N	1	1	369.513	2.258	20	30		FEEDMO
N#Cc1ccc(OCC[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1	ZINC000106151744	543209287	/nfs/dbraw/zinc/20/92/87/543209287.db2.gz	KCHMNRVSZJCKPX-UHFFFAOYSA-N	1	1	367.453	2.405	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)cc2C1=O	ZINC000106789966	543247431	/nfs/dbraw/zinc/24/74/31/543247431.db2.gz	MBTSAXKPKXJKOO-OAHLLOKOSA-N	1	1	367.449	2.215	20	30		FEEDMO
O=C(C[N@@H+]1CCCC[C@H]1CCO)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000111240221	543388223	/nfs/dbraw/zinc/38/82/23/543388223.db2.gz	LLEMQARISGHDAA-KRWDZBQOSA-N	1	1	368.399	2.410	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000111886118	543423580	/nfs/dbraw/zinc/42/35/80/543423580.db2.gz	QXJYTEXNDJZRNX-UHFFFAOYSA-N	1	1	374.529	2.419	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000111886118	543423581	/nfs/dbraw/zinc/42/35/81/543423581.db2.gz	QXJYTEXNDJZRNX-UHFFFAOYSA-N	1	1	374.529	2.419	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1	ZINC000112701003	543458472	/nfs/dbraw/zinc/45/84/72/543458472.db2.gz	FMYWYCYPAFBBAG-JXXFODFXSA-N	1	1	364.534	2.304	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)CC[NH+]1CCOCC1	ZINC000114368358	543511376	/nfs/dbraw/zinc/51/13/76/543511376.db2.gz	OZANEAAWAORRAC-QFBILLFUSA-N	1	1	359.470	2.189	20	30		FEEDMO
COc1cc(/C=C/C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)ccc1OCC#N	ZINC000115443945	543568515	/nfs/dbraw/zinc/56/85/15/543568515.db2.gz	FPRVZCMORPRCLE-LKUPDRCFSA-N	1	1	357.454	2.411	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000118126565	543647769	/nfs/dbraw/zinc/64/77/69/543647769.db2.gz	GFCOQHUYXLEWMP-QGZVFWFLSA-N	1	1	372.469	2.298	20	30		FEEDMO
CC(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000119840574	543672975	/nfs/dbraw/zinc/67/29/75/543672975.db2.gz	ODTUTDFQONYPLS-NGEICVOHSA-N	1	1	362.518	2.248	20	30		FEEDMO
N#Cc1ccc2ncc(CNc3cccc(C[N@@H+]4CCC[C@@H]4C(N)=O)c3)n2c1	ZINC000120124835	543676268	/nfs/dbraw/zinc/67/62/68/543676268.db2.gz	VXKJCWLEKBQXER-LJQANCHMSA-N	1	1	374.448	2.268	20	30		FEEDMO
CCc1nnc(N2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C#N)c1CC	ZINC000127021072	543968440	/nfs/dbraw/zinc/96/84/40/543968440.db2.gz	MOAUTLOVBKBASA-INIZCTEOSA-N	1	1	356.518	2.079	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+](CCC)[C@@H]1CCS(=O)(=O)C1	ZINC000128083822	544031614	/nfs/dbraw/zinc/03/16/14/544031614.db2.gz	BRXUSFARZKOJRV-QZTJIDSGSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+](CCC)[C@@H]1CCS(=O)(=O)C1	ZINC000128083822	544031616	/nfs/dbraw/zinc/03/16/16/544031616.db2.gz	BRXUSFARZKOJRV-QZTJIDSGSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCNc1ncc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)s1	ZINC000128382092	544049282	/nfs/dbraw/zinc/04/92/82/544049282.db2.gz	BBOZNEZVPLFZSD-UHFFFAOYSA-N	1	1	363.531	2.029	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(C(=O)Cc2cccc(OCC#N)c2)CC1	ZINC000131042567	544175429	/nfs/dbraw/zinc/17/54/29/544175429.db2.gz	FCNKTMDVNOEPOU-UHFFFAOYSA-N	1	1	352.438	2.346	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1	ZINC000133924219	544288075	/nfs/dbraw/zinc/28/80/75/544288075.db2.gz	UZRUMRRWKMUXTC-MRXNPFEDSA-N	1	1	372.469	2.084	20	30		FEEDMO
C=C(C)COCCNC(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1	ZINC000135023960	544331525	/nfs/dbraw/zinc/33/15/25/544331525.db2.gz	HCYHNWQORWWAQI-UHFFFAOYSA-N	1	1	374.529	2.216	20	30		FEEDMO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1(O)CCCC1	ZINC000152379317	544645944	/nfs/dbraw/zinc/64/59/44/544645944.db2.gz	RLUIFYBJYNRWNI-UHFFFAOYSA-N	1	1	368.399	2.410	20	30		FEEDMO
C=CCc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000153637930	544801229	/nfs/dbraw/zinc/80/12/29/544801229.db2.gz	IFBJGSAIYRNCGE-VBQJREDUSA-N	1	1	350.415	2.172	20	30		FEEDMO
C=CCc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000153637930	544801234	/nfs/dbraw/zinc/80/12/34/544801234.db2.gz	IFBJGSAIYRNCGE-VBQJREDUSA-N	1	1	350.415	2.172	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1cc(Br)cc(C#N)c1)[N@@H+](C)C1CC1	ZINC000155185607	544999405	/nfs/dbraw/zinc/99/94/05/544999405.db2.gz	XGVJCPQNHNCFMQ-JTQLQIEISA-N	1	1	372.288	2.082	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1	ZINC000155208718	545001853	/nfs/dbraw/zinc/00/18/53/545001853.db2.gz	PLNKKEYCGBKJCM-MRXNPFEDSA-N	1	1	374.485	2.342	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1	ZINC000155208718	545001856	/nfs/dbraw/zinc/00/18/56/545001856.db2.gz	PLNKKEYCGBKJCM-MRXNPFEDSA-N	1	1	374.485	2.342	20	30		FEEDMO
CNC(=O)CCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000155277395	545007522	/nfs/dbraw/zinc/00/75/22/545007522.db2.gz	BKTKUNZPKPZNFR-UHFFFAOYSA-N	1	1	362.499	2.285	20	30		FEEDMO
COCC[N@H+]1CC[C@H](Nc2c(C#N)cnc3c(F)c(F)c(F)cc32)C1	ZINC000553058862	674235924	/nfs/dbraw/zinc/23/59/24/674235924.db2.gz	RSDWXOASQRCSDG-NSHDSACASA-N	1	1	350.344	2.078	20	30		FEEDMO
CC(C)[C@@H](C(=O)O[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)C	ZINC000803492080	674245919	/nfs/dbraw/zinc/24/59/19/674245919.db2.gz	BMRPBLGIPSTVEL-BHEGOAEISA-N	1	1	351.491	2.435	20	30		FEEDMO
CN(C[C@H](O)c1ccc(C#N)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000188293663	328078975	/nfs/dbraw/zinc/07/89/75/328078975.db2.gz	MFVQDTXUNCIRBN-FCHUYYIVSA-N	1	1	365.477	2.160	20	30		FEEDMO
C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@]1(O)CCN(Cc2ccccc2)C1	ZINC000188293663	328078976	/nfs/dbraw/zinc/07/89/76/328078976.db2.gz	MFVQDTXUNCIRBN-FCHUYYIVSA-N	1	1	365.477	2.160	20	30		FEEDMO
C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@]1(O)CCN(Cc2ccccc2)C1	ZINC000188293663	328078977	/nfs/dbraw/zinc/07/89/77/328078977.db2.gz	MFVQDTXUNCIRBN-FCHUYYIVSA-N	1	1	365.477	2.160	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1	ZINC000188953678	328119653	/nfs/dbraw/zinc/11/96/53/328119653.db2.gz	OPWPIMLMGAHLEJ-UHFFFAOYSA-N	1	1	365.437	2.020	20	30		FEEDMO
N#Cc1ccc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)cc1O	ZINC000189068639	328126767	/nfs/dbraw/zinc/12/67/67/328126767.db2.gz	NXDPEFNROYUZHH-UHFFFAOYSA-N	1	1	351.406	2.473	20	30		FEEDMO
COC(=O)c1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)oc1C	ZINC000190838503	328235297	/nfs/dbraw/zinc/23/52/97/328235297.db2.gz	QDSJOKCQZZLOPL-GOSISDBHSA-N	1	1	367.405	2.137	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCc2cccc(C#N)c2)CC1	ZINC000194088586	328410663	/nfs/dbraw/zinc/41/06/63/328410663.db2.gz	QAOCNXIXMHLKHM-UHFFFAOYSA-N	1	1	372.469	2.117	20	30		FEEDMO
CC(C)OCC[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000081638449	325190845	/nfs/dbraw/zinc/19/08/45/325190845.db2.gz	RJRXPFUHOHFRIC-UHFFFAOYSA-N	1	1	364.877	2.193	20	30		FEEDMO
CCC[C@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1CCOC	ZINC000121674686	326357135	/nfs/dbraw/zinc/35/71/35/326357135.db2.gz	OSMQCPFGIVTSPN-VQTJNVASSA-N	1	1	370.497	2.096	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(OC[C@H]2CCOC2)CC1	ZINC000131732885	326580817	/nfs/dbraw/zinc/58/08/17/326580817.db2.gz	GYZOITWYJQNOKQ-CVEARBPZSA-N	1	1	357.454	2.403	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1	ZINC000162320283	327022501	/nfs/dbraw/zinc/02/25/01/327022501.db2.gz	HCTMXLMFOSUBBH-OAHLLOKOSA-N	1	1	351.447	2.134	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cn1	ZINC000171069672	327115453	/nfs/dbraw/zinc/11/54/53/327115453.db2.gz	LJWBAIUUYJKSLX-UHFFFAOYSA-N	1	1	362.499	2.230	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c(C#N)c1C	ZINC000171750012	327158874	/nfs/dbraw/zinc/15/88/74/327158874.db2.gz	VGYVLUZKIZCVOE-HIFRSBDPSA-N	1	1	374.485	2.280	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1	ZINC000171787385	327161407	/nfs/dbraw/zinc/16/14/07/327161407.db2.gz	QUAITRHLEWPEIE-MRXNPFEDSA-N	1	1	364.449	2.442	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@@H](O)COCc1ccccc1	ZINC000172252683	327190639	/nfs/dbraw/zinc/19/06/39/327190639.db2.gz	NINDLLLECGYNPA-HXUWFJFHSA-N	1	1	367.449	2.396	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1C#N	ZINC000174570532	327335505	/nfs/dbraw/zinc/33/55/05/327335505.db2.gz	FDCYBZLMMAWFFN-KRWDZBQOSA-N	1	1	366.421	2.352	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccco1	ZINC000263760051	328960082	/nfs/dbraw/zinc/96/00/82/328960082.db2.gz	VRXOVAVOAYABOG-GOSISDBHSA-N	1	1	367.453	2.286	20	30		FEEDMO
CCOCCCNC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264106524	328991928	/nfs/dbraw/zinc/99/19/28/328991928.db2.gz	JOHTZXQHPLPECY-INIZCTEOSA-N	1	1	359.470	2.333	20	30		FEEDMO
C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1	ZINC000264691826	329049356	/nfs/dbraw/zinc/04/93/56/329049356.db2.gz	DTGWSDTUAYFPNK-CQSZACIVSA-N	1	1	360.458	2.019	20	30		FEEDMO
C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1	ZINC000264691826	329049357	/nfs/dbraw/zinc/04/93/57/329049357.db2.gz	DTGWSDTUAYFPNK-CQSZACIVSA-N	1	1	360.458	2.019	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)cc1	ZINC000267379469	329320911	/nfs/dbraw/zinc/32/09/11/329320911.db2.gz	LGKWXSDWYZLFPC-UHFFFAOYSA-N	1	1	358.449	2.457	20	30		FEEDMO
Cc1nc2sccn2c1C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000268104215	329385570	/nfs/dbraw/zinc/38/55/70/329385570.db2.gz	BQFBPCFNMZVDOT-OAHLLOKOSA-N	1	1	356.451	2.448	20	30		FEEDMO
Cc1nc2sccn2c1C[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000268104215	329385571	/nfs/dbraw/zinc/38/55/71/329385571.db2.gz	BQFBPCFNMZVDOT-OAHLLOKOSA-N	1	1	356.451	2.448	20	30		FEEDMO
CCc1nnc(NC2CCN(C3CC[NH+](C)CC3)CC2)c(C#N)c1CC	ZINC000268125606	329387772	/nfs/dbraw/zinc/38/77/72/329387772.db2.gz	DAFIHUGTZUODSF-UHFFFAOYSA-N	1	1	356.518	2.444	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1C#N	ZINC000297125673	330194286	/nfs/dbraw/zinc/19/42/86/330194286.db2.gz	PIYVFCNHWICTTQ-QGZVFWFLSA-N	1	1	360.458	2.314	20	30		FEEDMO
COc1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)ccc1C#N	ZINC000367036680	330209765	/nfs/dbraw/zinc/20/97/65/330209765.db2.gz	OXNFPGHXFOBFNI-INIZCTEOSA-N	1	1	367.453	2.371	20	30		FEEDMO
N#Cc1ccc(Cl)c(C(=O)NC2CC[NH+](CC(=O)N3CCCC3)CC2)c1	ZINC000367138587	330221695	/nfs/dbraw/zinc/22/16/95/330221695.db2.gz	QSICNTGWMGYFAR-UHFFFAOYSA-N	1	1	374.872	2.028	20	30		FEEDMO
Cc1nsc(N2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)c1C#N	ZINC000554954549	674343169	/nfs/dbraw/zinc/34/31/69/674343169.db2.gz	UTOIDIUUOLAKKO-QGZVFWFLSA-N	1	1	356.495	2.439	20	30		FEEDMO
C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)C1	ZINC000555405114	674359363	/nfs/dbraw/zinc/35/93/63/674359363.db2.gz	FUWAGWYLKSVHTR-MRXNPFEDSA-N	1	1	353.875	2.318	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)C2)n1	ZINC000155494726	545533122	/nfs/dbraw/zinc/53/31/22/545533122.db2.gz	JFMZRHKKIAQTFV-ZYSHUDEJSA-N	1	1	369.513	2.323	20	30		FEEDMO
CN(C(=O)c1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1)[C@@H]1CCC[N@@H+](C)C1	ZINC000155511320	545535522	/nfs/dbraw/zinc/53/55/22/545535522.db2.gz	QOYVRYGKOACKJJ-QGZVFWFLSA-N	1	1	365.437	2.305	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C[C@@H](C)O)c1C#N	ZINC000156277429	545613351	/nfs/dbraw/zinc/61/33/51/545613351.db2.gz	QAHVUTUCVKANPU-CQSZACIVSA-N	1	1	354.454	2.276	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C[C@@H](C)O)c1C#N	ZINC000156277429	545613358	/nfs/dbraw/zinc/61/33/58/545613358.db2.gz	QAHVUTUCVKANPU-CQSZACIVSA-N	1	1	354.454	2.276	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)CNc3cccc(C#N)c3)CC2)C[C@H](C)O1	ZINC000156704561	545648756	/nfs/dbraw/zinc/64/87/56/545648756.db2.gz	OHZLXVHZPQVMKI-CALCHBBNSA-N	1	1	370.497	2.318	20	30		FEEDMO
C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1OC	ZINC000157150220	545705775	/nfs/dbraw/zinc/70/57/75/545705775.db2.gz	WDUVEGGEPPNNJR-GFCCVEGCSA-N	1	1	369.259	2.330	20	30		FEEDMO
C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C(N)=O)C2)cc1OC	ZINC000157150220	545705780	/nfs/dbraw/zinc/70/57/80/545705780.db2.gz	WDUVEGGEPPNNJR-GFCCVEGCSA-N	1	1	369.259	2.330	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1C#N	ZINC000157779184	545782164	/nfs/dbraw/zinc/78/21/64/545782164.db2.gz	ZHWCKJHNPRHTKQ-OAHLLOKOSA-N	1	1	360.458	2.435	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](C)C[C@@H]1CCCN1c1cccnn1	ZINC000157932034	545802198	/nfs/dbraw/zinc/80/21/98/545802198.db2.gz	CIQTUOYLKDCCPN-KRWDZBQOSA-N	1	1	367.453	2.336	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)[N@H+]3CCC[C@H](C)C3)cc2C1=O	ZINC000478528570	561168880	/nfs/dbraw/zinc/16/88/80/561168880.db2.gz	JXIAHUZXQVKZCO-LSDHHAIUSA-N	1	1	369.465	2.319	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)S(=O)(=O)N(C)CCC#N)CC[N@H+]1Cc1ccccc1	ZINC000160003328	545999820	/nfs/dbraw/zinc/99/98/20/545999820.db2.gz	SAVRIAWBNAVQCG-SJLPKXTDSA-N	1	1	364.515	2.062	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1)C(C)C	ZINC000161260325	546114449	/nfs/dbraw/zinc/11/44/49/546114449.db2.gz	IXPYEEHQODYCCZ-UHFFFAOYSA-N	1	1	360.458	2.130	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000161264499	546115021	/nfs/dbraw/zinc/11/50/21/546115021.db2.gz	DSZJTEOOTSJWRA-KRWDZBQOSA-N	1	1	372.469	2.275	20	30		FEEDMO
C[N@H+](Cc1ccccc1)CC1CCN(S(=O)(=O)CC2(C#N)CC2)CC1	ZINC000165156269	546152002	/nfs/dbraw/zinc/15/20/02/546152002.db2.gz	ZFQKGAFCGXXXIX-UHFFFAOYSA-N	1	1	361.511	2.464	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)NC[C@H](C)N2CCc3ccccc3C2)CC1	ZINC000171715381	546220253	/nfs/dbraw/zinc/22/02/53/546220253.db2.gz	BWMGZDLTOHFQKL-KRWDZBQOSA-N	1	1	356.514	2.383	20	30		FEEDMO
C[C@@H]1CCC[C@@](C#N)(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000172308714	546245785	/nfs/dbraw/zinc/24/57/85/546245785.db2.gz	GXNHZKLBCFFJMG-WIYYLYMNSA-N	1	1	354.498	2.393	20	30		FEEDMO
C[C@H]1CCC[C@](C#N)(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000172308732	546247108	/nfs/dbraw/zinc/24/71/08/546247108.db2.gz	GXNHZKLBCFFJMG-RXVVDRJESA-N	1	1	354.498	2.393	20	30		FEEDMO
N#CCCn1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)n1	ZINC000173343363	546279141	/nfs/dbraw/zinc/27/91/41/546279141.db2.gz	CJUZJVQKYOIJIN-GOSISDBHSA-N	1	1	366.469	2.483	20	30		FEEDMO
C[C@@H](O)C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1	ZINC000176226310	546421757	/nfs/dbraw/zinc/42/17/57/546421757.db2.gz	NWYXFGUZTMZMBP-OAHLLOKOSA-N	1	1	350.484	2.347	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1C#N	ZINC000176334265	546433101	/nfs/dbraw/zinc/43/31/01/546433101.db2.gz	RANJAFVWPPERMA-UHFFFAOYSA-N	1	1	368.412	2.193	20	30		FEEDMO
C=CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1cccc(C#N)c1	ZINC000177026013	546527025	/nfs/dbraw/zinc/52/70/25/546527025.db2.gz	NTZKTJQTDAHKQI-UHFFFAOYSA-N	1	1	368.359	2.324	20	30		FEEDMO
Cc1sc(NC(=O)CN2CC[NH+](CCOC(C)C)CC2)c(C#N)c1C	ZINC000177362409	546600686	/nfs/dbraw/zinc/60/06/86/546600686.db2.gz	WOFOEXGNUAHVJT-UHFFFAOYSA-N	1	1	364.515	2.218	20	30		FEEDMO
N#Cc1ccc([C@H](O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000177985794	546718101	/nfs/dbraw/zinc/71/81/01/546718101.db2.gz	CSRGXYFBXIXYTF-LJQANCHMSA-N	1	1	352.394	2.322	20	30		FEEDMO
CC(C)(C)NC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000481135124	561226072	/nfs/dbraw/zinc/22/60/72/561226072.db2.gz	DGAVWAFULFMBFC-UHFFFAOYSA-N	1	1	357.458	2.013	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1	ZINC000178298694	546771947	/nfs/dbraw/zinc/77/19/47/546771947.db2.gz	XWWGNKLFJIHSLV-SFHVURJKSA-N	1	1	359.470	2.189	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3cccc(F)c3)CC2)cc1	ZINC000178448422	546795491	/nfs/dbraw/zinc/79/54/91/546795491.db2.gz	DROIRYOYAAEOOB-HXUWFJFHSA-N	1	1	369.440	2.255	20	30		FEEDMO
COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@@H+](CCC(=O)N(C)CCC#N)C1	ZINC000179380128	546943367	/nfs/dbraw/zinc/94/33/67/546943367.db2.gz	XEQFJFQUKWDRAM-ROUUACIJSA-N	1	1	357.454	2.027	20	30		FEEDMO
N#Cc1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1	ZINC000179430691	546952615	/nfs/dbraw/zinc/95/26/15/546952615.db2.gz	ANQPKXGONPBXGC-LEWJYISDSA-N	1	1	363.461	2.100	20	30		FEEDMO
C[C@H]1OCC[C@@H]1[N@@H+](CCO)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000483315590	561273977	/nfs/dbraw/zinc/27/39/77/561273977.db2.gz	OYDAWPSSFYRJCP-WBMJQRKESA-N	1	1	351.834	2.012	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH2+]C(C)(C)c1ccccc1Br	ZINC000181519808	547328332	/nfs/dbraw/zinc/32/83/32/547328332.db2.gz	CMOLZWIGGUYMDA-UHFFFAOYSA-N	1	1	354.248	2.286	20	30		FEEDMO
C=C(C)COc1cc(C[N@H+]2CC[C@@H](S(=O)(=O)NCC)C2)ccc1OC	ZINC000181567193	547337260	/nfs/dbraw/zinc/33/72/60/547337260.db2.gz	LWEBAMVQBXUGAA-MRXNPFEDSA-N	1	1	368.499	2.164	20	30		FEEDMO
C=C(C)COc1cc(C[N@@H+]2CC[C@@H](S(=O)(=O)NCC)C2)ccc1OC	ZINC000181567193	547337267	/nfs/dbraw/zinc/33/72/67/547337267.db2.gz	LWEBAMVQBXUGAA-MRXNPFEDSA-N	1	1	368.499	2.164	20	30		FEEDMO
C[C@H](C#N)CNC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000182611432	547521928	/nfs/dbraw/zinc/52/19/28/547521928.db2.gz	XZEHLGDSTXYJNN-OAHLLOKOSA-N	1	1	363.893	2.311	20	30		FEEDMO
C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2	ZINC000183213091	547622254	/nfs/dbraw/zinc/62/22/54/547622254.db2.gz	LPXMXULMOHYGJZ-ZBFHGGJFSA-N	1	1	359.470	2.038	20	30		FEEDMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)N[C@H](CCC#N)c1ccccc1	ZINC000183360272	547644162	/nfs/dbraw/zinc/64/41/62/547644162.db2.gz	LMEUSLPWFAXOND-LJQANCHMSA-N	1	1	357.502	2.310	20	30		FEEDMO
CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000184008553	547754468	/nfs/dbraw/zinc/75/44/68/547754468.db2.gz	JTZXWVYVIAQTMR-GOSISDBHSA-N	1	1	353.470	2.243	20	30		FEEDMO
CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000184008553	547754471	/nfs/dbraw/zinc/75/44/71/547754471.db2.gz	JTZXWVYVIAQTMR-GOSISDBHSA-N	1	1	353.470	2.243	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CC[C@H](C)C1	ZINC000484873745	561307560	/nfs/dbraw/zinc/30/75/60/561307560.db2.gz	LOULUURZNQEBII-DOTOQJQBSA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CC[C@H](C)C1	ZINC000484873745	561307561	/nfs/dbraw/zinc/30/75/61/561307561.db2.gz	LOULUURZNQEBII-DOTOQJQBSA-N	1	1	350.484	2.469	20	30		FEEDMO
CC[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1nc(C)cs1	ZINC000184398917	547820783	/nfs/dbraw/zinc/82/07/83/547820783.db2.gz	NXWHRAHIZWUREX-HOTGVXAUSA-N	1	1	363.531	2.185	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000186725631	548180902	/nfs/dbraw/zinc/18/09/02/548180902.db2.gz	TYLSTPXMJJYFDU-FQEVSTJZSA-N	1	1	366.509	2.218	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1	ZINC000187014492	548241139	/nfs/dbraw/zinc/24/11/39/548241139.db2.gz	LRFDXEOEUVOULB-APWZRJJASA-N	1	1	358.486	2.223	20	30		FEEDMO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1	ZINC000188011297	548269358	/nfs/dbraw/zinc/26/93/58/548269358.db2.gz	YKIJMVZYVMPPGY-UHFFFAOYSA-N	1	1	373.497	2.316	20	30		FEEDMO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCC[N@H+]1CCCOCC1	ZINC000188011297	548269363	/nfs/dbraw/zinc/26/93/63/548269363.db2.gz	YKIJMVZYVMPPGY-UHFFFAOYSA-N	1	1	373.497	2.316	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000188092163	548271442	/nfs/dbraw/zinc/27/14/42/548271442.db2.gz	XPMIZYRXEGFZNS-GOSISDBHSA-N	1	1	358.486	2.092	20	30		FEEDMO
C=CC[N@@H+](CCOC)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000191075172	548340749	/nfs/dbraw/zinc/34/07/49/548340749.db2.gz	LSLQYTGOSIKHCJ-QGZVFWFLSA-N	1	1	360.454	2.256	20	30		FEEDMO
C=CC[N@H+](CCOC)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000191075172	548340754	/nfs/dbraw/zinc/34/07/54/548340754.db2.gz	LSLQYTGOSIKHCJ-QGZVFWFLSA-N	1	1	360.454	2.256	20	30		FEEDMO
CC[C@@H](C)[C@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)OC	ZINC000194540259	548496753	/nfs/dbraw/zinc/49/67/53/548496753.db2.gz	MPRNDIMZNLNSMO-KUHUBIRLSA-N	1	1	357.454	2.227	20	30		FEEDMO
CC[C@@H](C)[C@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)OC	ZINC000194540259	548496757	/nfs/dbraw/zinc/49/67/57/548496757.db2.gz	MPRNDIMZNLNSMO-KUHUBIRLSA-N	1	1	357.454	2.227	20	30		FEEDMO
C=CCSCCNC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000194564086	548499389	/nfs/dbraw/zinc/49/93/89/548499389.db2.gz	OIKYMVVRTLGTDX-KRWDZBQOSA-N	1	1	362.543	2.416	20	30		FEEDMO
C[C@H](C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1	ZINC000486623506	561352708	/nfs/dbraw/zinc/35/27/08/561352708.db2.gz	LXCOOYZCOOGIIE-HRAATJIYSA-N	1	1	363.461	2.197	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)C(=O)/C=C/c2ccc(OCC#N)cc2)C[C@H](C)O1	ZINC000194727414	548522089	/nfs/dbraw/zinc/52/20/89/548522089.db2.gz	PNMLRCKDJKLOEC-DQCUJPBYSA-N	1	1	357.454	2.170	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)C(=O)/C=C/c2ccc(OCC#N)cc2)C[C@H](C)O1	ZINC000194727414	548522093	/nfs/dbraw/zinc/52/20/93/548522093.db2.gz	PNMLRCKDJKLOEC-DQCUJPBYSA-N	1	1	357.454	2.170	20	30		FEEDMO
N#Cc1cccc(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c1	ZINC000245545331	548943472	/nfs/dbraw/zinc/94/34/72/548943472.db2.gz	CFMMAJFIGAVFFC-OALUTQOASA-N	1	1	350.422	2.315	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccccc1	ZINC000245677801	548972687	/nfs/dbraw/zinc/97/26/87/548972687.db2.gz	UIOMPHOOPRTABH-ZWKOTPCHSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)[C@H]1c1ccccc1	ZINC000245677801	548972692	/nfs/dbraw/zinc/97/26/92/548972692.db2.gz	UIOMPHOOPRTABH-ZWKOTPCHSA-N	1	1	359.426	2.421	20	30		FEEDMO
C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC	ZINC000488495615	561390735	/nfs/dbraw/zinc/39/07/35/561390735.db2.gz	RITVBCZTMHBPPW-ZDUSSCGKSA-N	1	1	362.426	2.485	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000246349788	549111207	/nfs/dbraw/zinc/11/12/07/549111207.db2.gz	JSUIYQZVRPECIZ-JKSUJKDBSA-N	1	1	362.499	2.228	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000246710044	549193455	/nfs/dbraw/zinc/19/34/55/549193455.db2.gz	UJIPVKPRZAWFKN-SUMWQHHRSA-N	1	1	363.458	2.335	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1	ZINC000246715226	549194006	/nfs/dbraw/zinc/19/40/06/549194006.db2.gz	MENRQULVBBANPD-PMACEKPBSA-N	1	1	369.513	2.138	20	30		FEEDMO
CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2cnc(C)c(C#N)c2)c1	ZINC000489109711	561403504	/nfs/dbraw/zinc/40/35/04/561403504.db2.gz	LJVKYPJHOPJQDU-UHFFFAOYSA-N	1	1	358.467	2.192	20	30		FEEDMO
C=CCCCS(=O)(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1	ZINC000489129130	561404108	/nfs/dbraw/zinc/40/41/08/561404108.db2.gz	HVXUXIXEGPBRHM-UHFFFAOYSA-N	1	1	365.543	2.210	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	ZINC000247582924	549362955	/nfs/dbraw/zinc/36/29/55/549362955.db2.gz	LTKRENDYXJKDKZ-HUUCEWRRSA-N	1	1	374.510	2.477	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	ZINC000247582924	549362959	/nfs/dbraw/zinc/36/29/59/549362959.db2.gz	LTKRENDYXJKDKZ-HUUCEWRRSA-N	1	1	374.510	2.477	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21	ZINC000248149408	549412400	/nfs/dbraw/zinc/41/24/00/549412400.db2.gz	QOLRVEYUAKOUMD-XJKSGUPXSA-N	1	1	360.845	2.093	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H](C)C1	ZINC000248387911	549425707	/nfs/dbraw/zinc/42/57/07/549425707.db2.gz	CIAWMWQPOSYHNH-YOEHRIQHSA-N	1	1	367.457	2.333	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C	ZINC000248648995	549476455	/nfs/dbraw/zinc/47/64/55/549476455.db2.gz	RDOHXQCJJTXCKS-CVEARBPZSA-N	1	1	363.483	2.203	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000248823538	549506633	/nfs/dbraw/zinc/50/66/33/549506633.db2.gz	LPSSPJLBBWBLLF-AUUYWEPGSA-N	1	1	373.453	2.496	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](C)[N@H+]3CCC[C@@H](C)C3)CC2)o1	ZINC000248895385	549523493	/nfs/dbraw/zinc/52/34/93/549523493.db2.gz	JOEASFQFWUNKHS-CABCVRRESA-N	1	1	373.501	2.308	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000489697631	561417192	/nfs/dbraw/zinc/41/71/92/561417192.db2.gz	NBCSDUHDZODDMA-UHFFFAOYSA-N	1	1	362.430	2.074	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)C1	ZINC000250216308	549639631	/nfs/dbraw/zinc/63/96/31/549639631.db2.gz	ULUILDYZMMPBIM-CRAIPNDOSA-N	1	1	357.454	2.353	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)C1	ZINC000250216308	549639634	/nfs/dbraw/zinc/63/96/34/549639634.db2.gz	ULUILDYZMMPBIM-CRAIPNDOSA-N	1	1	357.454	2.353	20	30		FEEDMO
CCCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000250424713	549641688	/nfs/dbraw/zinc/64/16/88/549641688.db2.gz	FFABCAPEPAOCIT-SJORKVTESA-N	1	1	362.518	2.346	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C2OCCO2)C1	ZINC000264132477	549983329	/nfs/dbraw/zinc/98/33/29/549983329.db2.gz	OUSGQKCYJBYHCX-CQSZACIVSA-N	1	1	361.467	2.326	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C2OCCO2)C1	ZINC000264132477	549983331	/nfs/dbraw/zinc/98/33/31/549983331.db2.gz	OUSGQKCYJBYHCX-CQSZACIVSA-N	1	1	361.467	2.326	20	30		FEEDMO
N#CCCN(C(=O)C[NH+]1CCC(N2CCCC2=O)CC1)c1ccccc1	ZINC000264227747	549993344	/nfs/dbraw/zinc/99/33/44/549993344.db2.gz	XOBRBEDXYWTRRC-UHFFFAOYSA-N	1	1	354.454	2.020	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCO[C@H](C#N)C1	ZINC000264440897	549996000	/nfs/dbraw/zinc/99/60/00/549996000.db2.gz	ZFQIPRRDPHDOPP-QFBILLFUSA-N	1	1	356.470	2.495	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N(CC)[C@@H](C)CS(C)(=O)=O)C(C)C	ZINC000264890055	550002820	/nfs/dbraw/zinc/00/28/20/550002820.db2.gz	LGKHMTCZFGKXKQ-IRXDYDNUSA-N	1	1	373.563	2.150	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N(CC)[C@H](C)CS(C)(=O)=O)C(C)C	ZINC000264890056	550002835	/nfs/dbraw/zinc/00/28/35/550002835.db2.gz	LGKHMTCZFGKXKQ-SJORKVTESA-N	1	1	373.563	2.150	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1	ZINC000268718901	550108182	/nfs/dbraw/zinc/10/81/82/550108182.db2.gz	VWGDEKUBRDEJLI-AWEZNQCLSA-N	1	1	362.861	2.244	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000268809152	550118682	/nfs/dbraw/zinc/11/86/82/550118682.db2.gz	STEZIJGSFUBSOT-QMTHXVAHSA-N	1	1	373.400	2.338	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000269103173	550154856	/nfs/dbraw/zinc/15/48/56/550154856.db2.gz	AKVBBIBNBCDSBW-BBRMVZONSA-N	1	1	353.875	2.316	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1	ZINC000269550646	550205582	/nfs/dbraw/zinc/20/55/82/550205582.db2.gz	FDFNDDLWSDPQJG-HNNXBMFYSA-N	1	1	360.433	2.120	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000270852716	550313889	/nfs/dbraw/zinc/31/38/89/550313889.db2.gz	MCJOXIJFUFOJTF-CTNGQTDRSA-N	1	1	363.461	2.480	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1	ZINC000270954401	550325044	/nfs/dbraw/zinc/32/50/44/550325044.db2.gz	UDKAQWCRFRKBQV-PKOBYXMFSA-N	1	1	368.481	2.327	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1	ZINC000270954401	550325047	/nfs/dbraw/zinc/32/50/47/550325047.db2.gz	UDKAQWCRFRKBQV-PKOBYXMFSA-N	1	1	368.481	2.327	20	30		FEEDMO
C[C@]1(CCCO)CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000271213295	550354137	/nfs/dbraw/zinc/35/41/37/550354137.db2.gz	WLBMXEPROYHZLO-HXUWFJFHSA-N	1	1	367.453	2.309	20	30		FEEDMO
C[C@]1(CCCO)CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000271213295	550354138	/nfs/dbraw/zinc/35/41/38/550354138.db2.gz	WLBMXEPROYHZLO-HXUWFJFHSA-N	1	1	367.453	2.309	20	30		FEEDMO
COCCCOCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000271504318	550380500	/nfs/dbraw/zinc/38/05/00/550380500.db2.gz	LRKFGEIETQCLBS-MRXNPFEDSA-N	1	1	365.449	2.446	20	30		FEEDMO
COCCCOCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000271504318	550380501	/nfs/dbraw/zinc/38/05/01/550380501.db2.gz	LRKFGEIETQCLBS-MRXNPFEDSA-N	1	1	365.449	2.446	20	30		FEEDMO
Cc1cc(NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1CCC#N	ZINC000272138670	550424962	/nfs/dbraw/zinc/42/49/62/550424962.db2.gz	WBXFMHWRPUQQOB-GASCZTMLSA-N	1	1	362.478	2.115	20	30		FEEDMO
Cc1cc(NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nn1CCC#N	ZINC000272138670	550424963	/nfs/dbraw/zinc/42/49/63/550424963.db2.gz	WBXFMHWRPUQQOB-GASCZTMLSA-N	1	1	362.478	2.115	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)[C@H]2C1	ZINC000272278352	550434176	/nfs/dbraw/zinc/43/41/76/550434176.db2.gz	DGFPOWHULQIBTR-NHYWBVRUSA-N	1	1	373.400	2.292	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(CCC#N)CC(C)(C)C)CC1=O	ZINC000494411536	561469152	/nfs/dbraw/zinc/46/91/52/561469152.db2.gz	BVMKSDAMIVYFQF-SJORKVTESA-N	1	1	362.518	2.108	20	30		FEEDMO
COc1ccc(CCNC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)cc1OC	ZINC000272514117	550454600	/nfs/dbraw/zinc/45/46/00/550454600.db2.gz	GQBUTKGXIWXFDC-OAHLLOKOSA-N	1	1	359.470	2.377	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1	ZINC000272672094	550464154	/nfs/dbraw/zinc/46/41/54/550464154.db2.gz	JFYWASIIKVXNQM-HNNXBMFYSA-N	1	1	357.454	2.492	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1	ZINC000273149981	550487511	/nfs/dbraw/zinc/48/75/11/550487511.db2.gz	HPHLBRXGHPLLLC-AWEZNQCLSA-N	1	1	358.442	2.355	20	30		FEEDMO
C[C@H](NCC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000273314704	550494181	/nfs/dbraw/zinc/49/41/81/550494181.db2.gz	VGUOPGHVZMPHJC-QFBILLFUSA-N	1	1	354.498	2.417	20	30		FEEDMO
Cc1nn(C)c(C)c1C[NH+]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1	ZINC000274220208	550528266	/nfs/dbraw/zinc/52/82/66/550528266.db2.gz	BMUFDDBSHXXRIY-UHFFFAOYSA-N	1	1	354.414	2.139	20	30		FEEDMO
CC[N@@H+](CCO)CCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1	ZINC000274400577	550536000	/nfs/dbraw/zinc/53/60/00/550536000.db2.gz	MOUCPCUBNCQSKN-UHFFFAOYSA-N	1	1	373.482	2.041	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)C(C)(C)C1	ZINC000275396001	550571900	/nfs/dbraw/zinc/57/19/00/550571900.db2.gz	DDHQITJNQCDWAE-CRAIPNDOSA-N	1	1	359.470	2.423	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@H](O)C(C)(C)C1	ZINC000275396001	550571902	/nfs/dbraw/zinc/57/19/02/550571902.db2.gz	DDHQITJNQCDWAE-CRAIPNDOSA-N	1	1	359.470	2.423	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)CCOCCOCC)c(OC)c1	ZINC000276310892	550577891	/nfs/dbraw/zinc/57/78/91/550577891.db2.gz	XFBFLOASWWTQNO-GOSISDBHSA-N	1	1	367.486	2.148	20	30		FEEDMO
C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000276476234	550578867	/nfs/dbraw/zinc/57/88/67/550578867.db2.gz	SFWGVGLDBHKDNI-CQSZACIVSA-N	1	1	353.488	2.208	20	30		FEEDMO
C[C@H](NS(=O)(=O)c1cccnc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000277006725	550621108	/nfs/dbraw/zinc/62/11/08/550621108.db2.gz	INFYJVBFTMDBBO-RDJZCZTQSA-N	1	1	370.478	2.142	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c(Cl)c1	ZINC000277461134	550673191	/nfs/dbraw/zinc/67/31/91/550673191.db2.gz	IURDGWSNRWTXDK-CQSZACIVSA-N	1	1	360.845	2.283	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)[C@H](C)C1	ZINC000277814428	550717082	/nfs/dbraw/zinc/71/70/82/550717082.db2.gz	WNTASDPZDVKNIR-KDOFPFPSSA-N	1	1	373.501	2.260	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNC(=O)NC2(c3cccc(C#N)c3)CC2)CCCO1	ZINC000277865380	550723034	/nfs/dbraw/zinc/72/30/34/550723034.db2.gz	ZOBPJUGHSXOJPM-INIZCTEOSA-N	1	1	356.470	2.347	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)N2CC[N@H+](C3CCOCC3)C[C@H]2C)c(C#N)c1C	ZINC000278616147	550804532	/nfs/dbraw/zinc/80/45/32/550804532.db2.gz	JLYWHUGCOXTHCV-UKRRQHHQSA-N	1	1	374.485	2.280	20	30		FEEDMO
CC[C@@]1(O)CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1	ZINC000495186961	561483887	/nfs/dbraw/zinc/48/38/87/561483887.db2.gz	BXRDKVRXVCHNFQ-HXUWFJFHSA-N	1	1	370.453	2.403	20	30		FEEDMO
CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1	ZINC000495186961	561483888	/nfs/dbraw/zinc/48/38/88/561483888.db2.gz	BXRDKVRXVCHNFQ-HXUWFJFHSA-N	1	1	370.453	2.403	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1	ZINC000278938933	550838238	/nfs/dbraw/zinc/83/82/38/550838238.db2.gz	XWIYLCYOWHRHDD-CYBMUJFWSA-N	1	1	354.372	2.127	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CC)C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)n1	ZINC000279728239	550922352	/nfs/dbraw/zinc/92/23/52/550922352.db2.gz	MWIYATMODNSPCX-LJQANCHMSA-N	1	1	365.481	2.366	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CC)C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)n1	ZINC000279728239	550922354	/nfs/dbraw/zinc/92/23/54/550922354.db2.gz	MWIYATMODNSPCX-LJQANCHMSA-N	1	1	365.481	2.366	20	30		FEEDMO
C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000279806092	550930804	/nfs/dbraw/zinc/93/08/04/550930804.db2.gz	POVNPGJHLJBMGI-YJBOKZPZSA-N	1	1	367.453	2.308	20	30		FEEDMO
C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000279806092	550930806	/nfs/dbraw/zinc/93/08/06/550930806.db2.gz	POVNPGJHLJBMGI-YJBOKZPZSA-N	1	1	367.453	2.308	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@]2(CCOC2)O1	ZINC000280163771	550966827	/nfs/dbraw/zinc/96/68/27/550966827.db2.gz	FLJJTZQEEHGBRF-UZLBHIALSA-N	1	1	367.453	2.239	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@]2(CCOC2)O1	ZINC000280163771	550966828	/nfs/dbraw/zinc/96/68/28/550966828.db2.gz	FLJJTZQEEHGBRF-UZLBHIALSA-N	1	1	367.453	2.239	20	30		FEEDMO
C[C@H]1OCC[C@]12C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CCO2	ZINC000280426630	550992601	/nfs/dbraw/zinc/99/26/01/550992601.db2.gz	METJOWRPJJBPHW-QRWLVFNGSA-N	1	1	352.438	2.339	20	30		FEEDMO
C[C@H]1OCC[C@]12C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CCO2	ZINC000280426630	550992602	/nfs/dbraw/zinc/99/26/02/550992602.db2.gz	METJOWRPJJBPHW-QRWLVFNGSA-N	1	1	352.438	2.339	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F	ZINC000280512746	551002155	/nfs/dbraw/zinc/00/21/55/551002155.db2.gz	NQYRCBICOWPZAR-AWEZNQCLSA-N	1	1	358.360	2.409	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2cc(C)ccc2Cl)C1=O	ZINC000281310669	551083547	/nfs/dbraw/zinc/08/35/47/551083547.db2.gz	KPCPNNOWFCROHD-GDBMZVCRSA-N	1	1	352.862	2.107	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)C1=O	ZINC000281386119	551090949	/nfs/dbraw/zinc/09/09/49/551090949.db2.gz	PLSAKQAHYROBMU-CABCVRRESA-N	1	1	371.250	2.340	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)C1=O	ZINC000281386119	551090951	/nfs/dbraw/zinc/09/09/51/551090951.db2.gz	PLSAKQAHYROBMU-CABCVRRESA-N	1	1	371.250	2.340	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1	ZINC000281729838	551136301	/nfs/dbraw/zinc/13/63/01/551136301.db2.gz	XGJQKYUPHGAJSE-IBGZPJMESA-N	1	1	368.481	2.057	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1C#N	ZINC000281894461	551154581	/nfs/dbraw/zinc/15/45/81/551154581.db2.gz	RGMKRDNBUVIYBD-UHFFFAOYSA-N	1	1	373.501	2.493	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000497363343	561499432	/nfs/dbraw/zinc/49/94/32/561499432.db2.gz	FPTIRHRLPYRLOH-FRQCXROJSA-N	1	1	350.507	2.058	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000497363343	561499433	/nfs/dbraw/zinc/49/94/33/561499433.db2.gz	FPTIRHRLPYRLOH-FRQCXROJSA-N	1	1	350.507	2.058	20	30		FEEDMO
C=CCn1c(Cc2ccccc2OC)nnc1N1CC[NH+](C2CC2)CC1	ZINC000282280016	551205315	/nfs/dbraw/zinc/20/53/15/551205315.db2.gz	MVBPAIHUKCNARG-UHFFFAOYSA-N	1	1	353.470	2.348	20	30		FEEDMO
C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCc1ccc(C#N)cc1	ZINC000282495928	551237199	/nfs/dbraw/zinc/23/71/99/551237199.db2.gz	QJOOADRVOHPZDL-UHFFFAOYSA-N	1	1	352.394	2.257	20	30		FEEDMO
C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCc1ccc(C#N)cc1	ZINC000282495928	551237200	/nfs/dbraw/zinc/23/72/00/551237200.db2.gz	QJOOADRVOHPZDL-UHFFFAOYSA-N	1	1	352.394	2.257	20	30		FEEDMO
N#Cc1cc(NC(=O)NCCC[NH+]2CCOCC2)ccc1OC(F)(F)F	ZINC000283096141	551310938	/nfs/dbraw/zinc/31/09/38/551310938.db2.gz	VZPJYIIRGCIADQ-UHFFFAOYSA-N	1	1	372.347	2.301	20	30		FEEDMO
Cn1cccc1-c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1C	ZINC000283826256	551433859	/nfs/dbraw/zinc/43/38/59/551433859.db2.gz	QPLICVLHZFDVGS-UHFFFAOYSA-N	1	1	361.453	2.014	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[N@H+]1CCC[C@H](C)C1	ZINC000283990844	551463510	/nfs/dbraw/zinc/46/35/10/551463510.db2.gz	JHJGEHDEJXXVJV-KRWDZBQOSA-N	1	1	370.497	2.143	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000498203804	561518395	/nfs/dbraw/zinc/51/83/95/561518395.db2.gz	NPWPDMBIVVXTML-UHFFFAOYSA-N	1	1	372.428	2.346	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCO1	ZINC000284759029	551625785	/nfs/dbraw/zinc/62/57/85/551625785.db2.gz	LYXINPBLSVSCJA-ZWKOTPCHSA-N	1	1	365.437	2.326	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]1[C@H]1CCCO1	ZINC000284759029	551625787	/nfs/dbraw/zinc/62/57/87/551625787.db2.gz	LYXINPBLSVSCJA-ZWKOTPCHSA-N	1	1	365.437	2.326	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O	ZINC000284900338	551662304	/nfs/dbraw/zinc/66/23/04/551662304.db2.gz	SZAIPFKBNIHKBZ-GVZBARQTSA-N	1	1	357.454	2.137	20	30		FEEDMO
CC[C@H](CC#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000285354105	551742946	/nfs/dbraw/zinc/74/29/46/551742946.db2.gz	DNYPMJXFROIBJR-AQNXPRMDSA-N	1	1	365.481	2.444	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21	ZINC000286065182	551844713	/nfs/dbraw/zinc/84/47/13/551844713.db2.gz	RRLKXAPTYZSBBD-HSALFYBXSA-N	1	1	366.465	2.147	20	30		FEEDMO
CNC(=O)CC[C@H]1CCCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1	ZINC000286359889	551878475	/nfs/dbraw/zinc/87/84/75/551878475.db2.gz	HKTZSMZAKHTWCH-QGZVFWFLSA-N	1	1	356.470	2.314	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@H+]1CC(C)(C)O	ZINC000286655057	551911072	/nfs/dbraw/zinc/91/10/72/551911072.db2.gz	CGGZTHBIJZAFCP-CQSZACIVSA-N	1	1	361.461	2.279	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H](C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)C2)c(F)c1	ZINC000286886043	551936405	/nfs/dbraw/zinc/93/64/05/551936405.db2.gz	IUBFRHBWFYKECZ-IAGOWNOFSA-N	1	1	356.445	2.220	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1	ZINC000288037692	552078927	/nfs/dbraw/zinc/07/89/27/552078927.db2.gz	INJHVLBSUPTMHG-SJPCQFCGSA-N	1	1	357.454	2.274	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1	ZINC000289852116	552389355	/nfs/dbraw/zinc/38/93/55/552389355.db2.gz	VBNKVLXBCXRKFA-QGZVFWFLSA-N	1	1	355.482	2.358	20	30		FEEDMO
COc1ccccc1C(C)(C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000290018576	552415050	/nfs/dbraw/zinc/41/50/50/552415050.db2.gz	SQOIFMYUFYOCMB-UHFFFAOYSA-N	1	1	359.451	2.260	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[N@@H+](C)Cc1ccccc1	ZINC000290232817	552446100	/nfs/dbraw/zinc/44/61/00/552446100.db2.gz	LCAVDJPEFVACKK-AWEZNQCLSA-N	1	1	368.412	2.273	20	30		FEEDMO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C	ZINC000291068296	552582887	/nfs/dbraw/zinc/58/28/87/552582887.db2.gz	QJZLPOMQFBFNJC-IRXDYDNUSA-N	1	1	374.533	2.257	20	30		FEEDMO
Cc1cc(CNC(=O)C#Cc2ccc3c(c2)OCO3)cc(N2CCCC2)[nH+]1	ZINC000291453420	552625746	/nfs/dbraw/zinc/62/57/46/552625746.db2.gz	OEOBXGACQZDFNT-UHFFFAOYSA-N	1	1	363.417	2.387	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C2)C1	ZINC000291622345	552644560	/nfs/dbraw/zinc/64/45/60/552644560.db2.gz	CKNVLFTZPGIEHG-HNNXBMFYSA-N	1	1	373.400	2.293	20	30		FEEDMO
CC(C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1[N+](=O)[O-]	ZINC000292045398	552687781	/nfs/dbraw/zinc/68/77/81/552687781.db2.gz	AYURKYMJVCTGHN-UHFFFAOYSA-N	1	1	374.422	2.160	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@@H+]([C@@H](C(=O)NC3CC3)c3ccccc3)C2)nc1	ZINC000292110500	552695002	/nfs/dbraw/zinc/69/50/02/552695002.db2.gz	HBFUMIWDYPHZDE-AZUAARDMSA-N	1	1	362.433	2.426	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+]([C@@H](C(=O)NC3CC3)c3ccccc3)C2)nc1	ZINC000292110500	552695003	/nfs/dbraw/zinc/69/50/03/552695003.db2.gz	HBFUMIWDYPHZDE-AZUAARDMSA-N	1	1	362.433	2.426	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)COc3ccccc3Cl)C2)nc1	ZINC000292125456	552696269	/nfs/dbraw/zinc/69/62/69/552696269.db2.gz	IHMCITCIWRHFGF-HZPDHXFCSA-N	1	1	373.840	2.500	20	30		FEEDMO
Cc1sc(NC(=O)C[NH2+][C@@H](C(N)=O)[C@@H](C)c2ccccc2)c(C#N)c1C	ZINC000292191582	552703168	/nfs/dbraw/zinc/70/31/68/552703168.db2.gz	NDIHEMNYKXNMFO-YVEFUNNKSA-N	1	1	370.478	2.422	20	30		FEEDMO
CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292244565	552708193	/nfs/dbraw/zinc/70/81/93/552708193.db2.gz	QLOHFWIZTRYIGS-HKUYNNGSSA-N	1	1	350.422	2.236	20	30		FEEDMO
CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292244565	552708195	/nfs/dbraw/zinc/70/81/95/552708195.db2.gz	QLOHFWIZTRYIGS-HKUYNNGSSA-N	1	1	350.422	2.236	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](CCC(=O)N3CCc4ccccc43)C2)nc1	ZINC000292292596	552712959	/nfs/dbraw/zinc/71/29/59/552712959.db2.gz	UIWYTEMPGJNYCM-SFHVURJKSA-N	1	1	362.433	2.386	20	30		FEEDMO
N#Cc1ccsc1NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1	ZINC000293047200	552783732	/nfs/dbraw/zinc/78/37/32/552783732.db2.gz	KIEIOOKKJSQQAI-UHFFFAOYSA-N	1	1	374.491	2.007	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@H](O)CC1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000293092998	552787971	/nfs/dbraw/zinc/78/79/71/552787971.db2.gz	KNZJJPUBKDPRHN-INIZCTEOSA-N	1	1	354.372	2.020	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@H](O)CC1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000293092999	552788118	/nfs/dbraw/zinc/78/81/18/552788118.db2.gz	KNZJJPUBKDPRHN-MRXNPFEDSA-N	1	1	354.372	2.020	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2sccc2C#N)C1	ZINC000293164585	552795063	/nfs/dbraw/zinc/79/50/63/552795063.db2.gz	TYMGOGJODRWMIS-BETUJISGSA-N	1	1	362.499	2.431	20	30		FEEDMO
C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)C2)C1	ZINC000293377061	552817279	/nfs/dbraw/zinc/81/72/79/552817279.db2.gz	NFSSIVPKZCYFHO-GOSISDBHSA-N	1	1	360.845	2.094	20	30		FEEDMO
CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)[C@H]2C1	ZINC000293983242	552872639	/nfs/dbraw/zinc/87/26/39/552872639.db2.gz	VVBJNOXFDMQGOZ-ZWKOTPCHSA-N	1	1	366.421	2.148	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1	ZINC000293989872	552873331	/nfs/dbraw/zinc/87/33/31/552873331.db2.gz	NUOWZOOXIQETOP-GOSISDBHSA-N	1	1	370.497	2.310	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000294042253	552877483	/nfs/dbraw/zinc/87/74/83/552877483.db2.gz	SNXLRHAYHGEJFJ-UHFFFAOYSA-N	1	1	354.204	2.042	20	30		FEEDMO
N#Cc1cc(F)ccc1CS(=O)(=O)NCC[N@@H+]1CCc2ccccc2C1	ZINC000294328017	552897494	/nfs/dbraw/zinc/89/74/94/552897494.db2.gz	JDWVFLBDSDBBGX-UHFFFAOYSA-N	1	1	373.453	2.175	20	30		FEEDMO
N#Cc1cc(F)ccc1CS(=O)(=O)NCC[N@H+]1CCc2ccccc2C1	ZINC000294328017	552897496	/nfs/dbraw/zinc/89/74/96/552897496.db2.gz	JDWVFLBDSDBBGX-UHFFFAOYSA-N	1	1	373.453	2.175	20	30		FEEDMO
CCN1CCN(C(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1	ZINC000502502124	561619921	/nfs/dbraw/zinc/61/99/21/561619921.db2.gz	WRUVGRSBAGLMMK-QGZVFWFLSA-N	1	1	352.482	2.200	20	30		FEEDMO
CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1	ZINC000502502124	561619922	/nfs/dbraw/zinc/61/99/22/561619922.db2.gz	WRUVGRSBAGLMMK-QGZVFWFLSA-N	1	1	352.482	2.200	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C	ZINC000297930151	553358638	/nfs/dbraw/zinc/35/86/38/553358638.db2.gz	YMKJPQKJFOHBMI-KRWDZBQOSA-N	1	1	361.486	2.170	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CNc1ccc(C#N)cn1	ZINC000601707129	553460110	/nfs/dbraw/zinc/46/01/10/553460110.db2.gz	VVXURWFCOIGTIX-LPHOPBHVSA-N	1	1	363.465	2.249	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)CNc1ccc(C#N)cn1	ZINC000601707130	553460206	/nfs/dbraw/zinc/46/02/06/553460206.db2.gz	VVXURWFCOIGTIX-QFBILLFUSA-N	1	1	363.465	2.249	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000298933413	553491678	/nfs/dbraw/zinc/49/16/78/553491678.db2.gz	HJELIRQJYMEDEM-UHFFFAOYSA-N	1	1	353.426	2.138	20	30		FEEDMO
C[C@@H](C#N)CN(C)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000298962105	553495796	/nfs/dbraw/zinc/49/57/96/553495796.db2.gz	NBRWLTPMYHFNPO-IBGZPJMESA-N	1	1	371.529	2.385	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)C1CN(C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000504672621	561661141	/nfs/dbraw/zinc/66/11/41/561661141.db2.gz	BLOYVONHVDCRSU-HXUWFJFHSA-N	1	1	351.450	2.114	20	30		FEEDMO
C[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[NH+]1CCN(C)CC1	ZINC000301410268	553649763	/nfs/dbraw/zinc/64/97/63/553649763.db2.gz	OPTZNZFIJHEUSS-ZDUSSCGKSA-N	1	1	354.414	2.062	20	30		FEEDMO
N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000301576479	553662926	/nfs/dbraw/zinc/66/29/26/553662926.db2.gz	YUMQZQGZMKFDHU-UONOGXRCSA-N	1	1	354.376	2.398	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1	ZINC000301883763	553688419	/nfs/dbraw/zinc/68/84/19/553688419.db2.gz	YEPYWNMYMOCGTE-AWEZNQCLSA-N	1	1	350.260	2.479	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@H+](Cc2ccccc2)C1	ZINC000324057478	553771187	/nfs/dbraw/zinc/77/11/87/553771187.db2.gz	VUGYTGFHDBXKQJ-MRXNPFEDSA-N	1	1	370.478	2.096	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)c2cccnc2C#N)CC[N@@H+](Cc2ccccc2)C1	ZINC000324057478	553771189	/nfs/dbraw/zinc/77/11/89/553771189.db2.gz	VUGYTGFHDBXKQJ-MRXNPFEDSA-N	1	1	370.478	2.096	20	30		FEEDMO
C[C@@H]1C[C@H](C)[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)O1	ZINC000328638072	553800263	/nfs/dbraw/zinc/80/02/63/553800263.db2.gz	BGKVOMGQBLERKS-RGHULWKBSA-N	1	1	365.453	2.229	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000328697682	553808786	/nfs/dbraw/zinc/80/87/86/553808786.db2.gz	DRBFSHMKXAKZAF-GSEOLPGOSA-N	1	1	371.481	2.184	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O	ZINC000328722768	553812605	/nfs/dbraw/zinc/81/26/05/553812605.db2.gz	XSQRHFWTOZVDIW-VSZNYVQBSA-N	1	1	367.534	2.178	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1nccn1-c1ccccc1	ZINC000328753591	553816895	/nfs/dbraw/zinc/81/68/95/553816895.db2.gz	SABMEAZJAWBXJY-HNNXBMFYSA-N	1	1	357.458	2.195	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1	ZINC000328869700	553836133	/nfs/dbraw/zinc/83/61/33/553836133.db2.gz	PFMZHJYVNQDGLR-SJLPKXTDSA-N	1	1	359.470	2.245	20	30		FEEDMO
C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21	ZINC000328961694	553853507	/nfs/dbraw/zinc/85/35/07/553853507.db2.gz	KVIMLZPDVJKLOE-USXIJHARSA-N	1	1	351.491	2.233	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1	ZINC000506013709	561687402	/nfs/dbraw/zinc/68/74/02/561687402.db2.gz	YYDFZFALJPOFAB-SFHVURJKSA-N	1	1	359.445	2.202	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)C[N@H+]1C1CC1	ZINC000329001497	553862207	/nfs/dbraw/zinc/86/22/07/553862207.db2.gz	XOCMYGOKMKSNBK-YVTWGWGSSA-N	1	1	371.481	2.384	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1	ZINC000329104301	553881144	/nfs/dbraw/zinc/88/11/44/553881144.db2.gz	GOWHICNOFIIFHX-CVEARBPZSA-N	1	1	350.507	2.298	20	30		FEEDMO
Cc1nc(CCNC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cs1	ZINC000329110837	553882039	/nfs/dbraw/zinc/88/20/39/553882039.db2.gz	JSMFINTYKZTYHY-GRDNDAEWSA-N	1	1	366.531	2.482	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[N@H+]1Cc1ccccc1	ZINC000329112262	553882706	/nfs/dbraw/zinc/88/27/06/553882706.db2.gz	KMBZPFOUNMSATF-RDPOXOKHSA-N	1	1	373.497	2.491	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)C[N@H+](C)[C@@H]2CCSC2)CCCN1C	ZINC000329159325	553891296	/nfs/dbraw/zinc/89/12/96/553891296.db2.gz	DFYMGWLZHZFWTE-HDMKZQKVSA-N	1	1	365.547	2.197	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)CCCN1C	ZINC000329159325	553891300	/nfs/dbraw/zinc/89/13/00/553891300.db2.gz	DFYMGWLZHZFWTE-HDMKZQKVSA-N	1	1	365.547	2.197	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](Cc2c(OC)ccc3ccccc32)CC1	ZINC000506280894	561694818	/nfs/dbraw/zinc/69/48/18/561694818.db2.gz	LBKGPORLLNFWED-UHFFFAOYSA-N	1	1	353.466	2.268	20	30		FEEDMO
Cc1nc(CC2CC2)oc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C	ZINC000329176656	553895946	/nfs/dbraw/zinc/89/59/46/553895946.db2.gz	BYCNAIMKKUJUBC-MQVJKMGUSA-N	1	1	374.485	2.324	20	30		FEEDMO
C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C	ZINC000329197660	553900319	/nfs/dbraw/zinc/90/03/19/553900319.db2.gz	VKLYMVWQEDIKFW-TWMKSMIVSA-N	1	1	366.506	2.231	20	30		FEEDMO
C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C	ZINC000329197660	553900321	/nfs/dbraw/zinc/90/03/21/553900321.db2.gz	VKLYMVWQEDIKFW-TWMKSMIVSA-N	1	1	366.506	2.231	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1	ZINC000329213353	553903672	/nfs/dbraw/zinc/90/36/72/553903672.db2.gz	JGVBRSWDXUTOHP-KRWDZBQOSA-N	1	1	365.499	2.406	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)C[C@H]1[NH+]1CCOCC1	ZINC000329247146	553910341	/nfs/dbraw/zinc/91/03/41/553910341.db2.gz	BBLNGIYUEPXSQB-BZUAXINKSA-N	1	1	353.507	2.289	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)C[C@@H]1[NH+]1CCOCC1	ZINC000329247149	553910642	/nfs/dbraw/zinc/91/06/42/553910642.db2.gz	BBLNGIYUEPXSQB-OWCLPIDISA-N	1	1	353.507	2.289	20	30		FEEDMO
C[C@@H](NC(=O)NCCc1cc(F)cc2c1OCOC2)C1=CC[N@@H+](C)CC1	ZINC000329338565	553928111	/nfs/dbraw/zinc/92/81/11/553928111.db2.gz	NESSNCFUJHLEIQ-CYBMUJFWSA-N	1	1	363.433	2.389	20	30		FEEDMO
Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)no1	ZINC000329386457	553936537	/nfs/dbraw/zinc/93/65/37/553936537.db2.gz	PSSTZONKHJNQIN-CVEARBPZSA-N	1	1	365.478	2.176	20	30		FEEDMO
O=C(C[N@@H+]1CCOCC2(CC2)C1)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000329439078	553947234	/nfs/dbraw/zinc/94/72/34/553947234.db2.gz	JQLNFARDUXJQEF-UHFFFAOYSA-N	1	1	361.398	2.072	20	30		FEEDMO
O=C(C[N@H+]1CCOCC2(CC2)C1)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000329439078	553947237	/nfs/dbraw/zinc/94/72/37/553947237.db2.gz	JQLNFARDUXJQEF-UHFFFAOYSA-N	1	1	361.398	2.072	20	30		FEEDMO
COc1ccc(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1N1CCCC1=O	ZINC000329471332	553952615	/nfs/dbraw/zinc/95/26/15/553952615.db2.gz	ZLTQJORQQIUDFB-RHSMWYFYSA-N	1	1	372.469	2.394	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@H]1C	ZINC000329513495	553960422	/nfs/dbraw/zinc/96/04/22/553960422.db2.gz	LMKVFWWWXUVTOQ-UKRRQHHQSA-N	1	1	372.469	2.305	20	30		FEEDMO
Cn1cc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c(-c2ccccc2)n1	ZINC000329573652	553970053	/nfs/dbraw/zinc/97/00/53/553970053.db2.gz	VFRZEPNGJUQJOV-UHFFFAOYSA-N	1	1	357.458	2.021	20	30		FEEDMO
CC(C)C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)CCO1	ZINC000329602558	553975101	/nfs/dbraw/zinc/97/51/01/553975101.db2.gz	KXKTUKNAJKKCED-BRSBDYLESA-N	1	1	353.507	2.289	20	30		FEEDMO
C[N@H+]1CCCC12CCN(CC(=O)NC[C@H]1COc3ccccc3O1)CC2	ZINC000329617747	553976903	/nfs/dbraw/zinc/97/69/03/553976903.db2.gz	DUSDAPMTQFTTBF-INIZCTEOSA-N	1	1	359.470	2.343	20	30		FEEDMO
C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1	ZINC000329614683	553977163	/nfs/dbraw/zinc/97/71/63/553977163.db2.gz	PIWIXABUKXRUDZ-VQHPVUNQSA-N	1	1	353.507	2.289	20	30		FEEDMO
O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000329637506	553980729	/nfs/dbraw/zinc/98/07/29/553980729.db2.gz	AIAWQQZVTMRAIX-CQSZACIVSA-N	1	1	360.414	2.087	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cc3c(cc2C)OCO3)C[C@@H]1[NH+]1CCOCC1	ZINC000329712054	553993700	/nfs/dbraw/zinc/99/37/00/553993700.db2.gz	PLUUNWXMUAZXKF-HOCLYGCPSA-N	1	1	361.442	2.312	20	30		FEEDMO
C[C@H](NC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000329770282	554003072	/nfs/dbraw/zinc/00/30/72/554003072.db2.gz	IQKYWPUFPHWGQV-FZKCQIBNSA-N	1	1	371.547	2.061	20	30		FEEDMO
CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000329776346	554004119	/nfs/dbraw/zinc/00/41/19/554004119.db2.gz	OARPLZFPIGQNSX-MRXNPFEDSA-N	1	1	371.547	2.208	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000329776346	554004120	/nfs/dbraw/zinc/00/41/20/554004120.db2.gz	OARPLZFPIGQNSX-MRXNPFEDSA-N	1	1	371.547	2.208	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@]12CCCO2	ZINC000329789442	554006209	/nfs/dbraw/zinc/00/62/09/554006209.db2.gz	SKUIKKHLHCVQPG-YUWODFAVSA-N	1	1	351.491	2.232	20	30		FEEDMO
C=C[C@](C)(O)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2	ZINC000507191213	561720700	/nfs/dbraw/zinc/72/07/00/561720700.db2.gz	XXFLMJGBWBTYGN-CTNGQTDRSA-N	1	1	372.509	2.359	20	30		FEEDMO
C=CCOCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2	ZINC000507232463	561722004	/nfs/dbraw/zinc/72/20/04/561722004.db2.gz	GVSBHDLMTFEMBY-IBGZPJMESA-N	1	1	358.482	2.234	20	30		FEEDMO
CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)CCO2)o1	ZINC000329981195	554043539	/nfs/dbraw/zinc/04/35/39/554043539.db2.gz	MUGOPOVFJQICSL-GUTXKFCHSA-N	1	1	363.462	2.106	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@H]1CCSC1	ZINC000329984329	554043718	/nfs/dbraw/zinc/04/37/18/554043718.db2.gz	QFCJMDILZGUKOE-CWRNSKLLSA-N	1	1	351.520	2.154	20	30		FEEDMO
Cc1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)[C@@H](C)[NH+]2CCSCC2)on1	ZINC000329990660	554044952	/nfs/dbraw/zinc/04/49/52/554044952.db2.gz	WHYJKFZMLVLNHB-ILXRZTDVSA-N	1	1	370.494	2.289	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](N3CCCC3=O)C2)C1	ZINC000330069067	554058984	/nfs/dbraw/zinc/05/89/84/554058984.db2.gz	VYGJGSOTJJJXOA-CVEARBPZSA-N	1	1	350.507	2.108	20	30		FEEDMO
CC(C)(CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)N1CCS(=O)CC1	ZINC000330083771	554061587	/nfs/dbraw/zinc/06/15/87/554061587.db2.gz	QPCUDIHVDRPOHE-INIZCTEOSA-N	1	1	369.575	2.440	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)CC1	ZINC000330096296	554063915	/nfs/dbraw/zinc/06/39/15/554063915.db2.gz	XCWLLOQUQKDVIG-HOJAQTOUSA-N	1	1	369.513	2.157	20	30		FEEDMO
Cc1c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)sc2nccc(C)c12	ZINC000330111563	554066581	/nfs/dbraw/zinc/06/65/81/554066581.db2.gz	RGGSSHWJLBZHPW-SFHVURJKSA-N	1	1	363.483	2.301	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC3(CCCCC3)O2)CC1	ZINC000330118863	554067957	/nfs/dbraw/zinc/06/79/57/554067957.db2.gz	ZCSCTCBAFTYHKK-INIZCTEOSA-N	1	1	366.506	2.423	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCCc3c[nH]nc32)C[C@@H](C)O1	ZINC000330147263	554073746	/nfs/dbraw/zinc/07/37/46/554073746.db2.gz	UAGIIEZLWXBCSM-TXCZRRACSA-N	1	1	361.490	2.275	20	30		FEEDMO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cn1	ZINC000330181157	554079369	/nfs/dbraw/zinc/07/93/69/554079369.db2.gz	GLJLQRHVJMGYFN-HHXXYDBFSA-N	1	1	374.489	2.005	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N1CCOC[C@H](C2CCC2)C1)[NH+]1CCOCC1	ZINC000330185217	554080763	/nfs/dbraw/zinc/08/07/63/554080763.db2.gz	RENUXWHVOUEMSJ-MSOLQXFVSA-N	1	1	353.507	2.006	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1C#N	ZINC000330211561	554086303	/nfs/dbraw/zinc/08/63/03/554086303.db2.gz	JHONHKQRRBCMFA-QGZVFWFLSA-N	1	1	362.499	2.337	20	30		FEEDMO
CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1(C)C	ZINC000330215419	554086819	/nfs/dbraw/zinc/08/68/19/554086819.db2.gz	HABVRYOSJXCWKN-TXCZRRACSA-N	1	1	353.507	2.145	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCOC4(CCOCC4)C3)CC[C@@H]21	ZINC000330238190	554091051	/nfs/dbraw/zinc/09/10/51/554091051.db2.gz	VCQOEKUFZKXAJK-ZACQAIPSSA-N	1	1	351.491	2.045	20	30		FEEDMO
CC(C)CN1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)[C@H](C)C1=O	ZINC000330243093	554091545	/nfs/dbraw/zinc/09/15/45/554091545.db2.gz	CJZZAZOERGCRHY-SJORKVTESA-N	1	1	352.523	2.210	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1	ZINC000330271481	554097243	/nfs/dbraw/zinc/09/72/43/554097243.db2.gz	VZTVBCGAPSLJGW-IAGOWNOFSA-N	1	1	353.507	2.339	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](c2noc(C3CC3)n2)C1	ZINC000330277359	554098219	/nfs/dbraw/zinc/09/82/19/554098219.db2.gz	OCFNSGNCXDNWRS-ZIAGYGMSSA-N	1	1	356.430	2.252	20	30		FEEDMO
CCN1C(=O)CC[C@H](C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)[C@H]1c1cnn(C)c1	ZINC000330305620	554102831	/nfs/dbraw/zinc/10/28/31/554102831.db2.gz	QUKJALYWWJJFBK-DODZYUBVSA-N	1	1	373.501	2.303	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000330368856	554112206	/nfs/dbraw/zinc/11/22/06/554112206.db2.gz	AQHHRGAXJARNEA-NUJGCVRESA-N	1	1	364.515	2.138	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1	ZINC000330413772	554118671	/nfs/dbraw/zinc/11/86/71/554118671.db2.gz	MPAHSQMBIIWDKO-SJORKVTESA-N	1	1	370.563	2.442	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1	ZINC000330434131	554121209	/nfs/dbraw/zinc/12/12/09/554121209.db2.gz	XXAMALTWTJJLIX-WQVCFCJDSA-N	1	1	370.906	2.154	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1	ZINC000330434131	554121210	/nfs/dbraw/zinc/12/12/10/554121210.db2.gz	XXAMALTWTJJLIX-WQVCFCJDSA-N	1	1	370.906	2.154	20	30		FEEDMO
Cc1nc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(Br)s1	ZINC000330664532	554153084	/nfs/dbraw/zinc/15/30/84/554153084.db2.gz	QUZDQEPQNWMVAO-SECBINFHSA-N	1	1	362.293	2.487	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC(O)(C(F)(F)F)CC2)C1	ZINC000330707782	554161188	/nfs/dbraw/zinc/16/11/88/554161188.db2.gz	QBLZNKOFUSFVLZ-ZDUSSCGKSA-N	1	1	351.413	2.268	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H](C(=O)NC(C)C)C1	ZINC000330795384	554172417	/nfs/dbraw/zinc/17/24/17/554172417.db2.gz	GHXBVBFZRHQNDO-BRWVUGGUSA-N	1	1	352.523	2.448	20	30		FEEDMO
COc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c(OC)c1OC	ZINC000330884358	554182838	/nfs/dbraw/zinc/18/28/38/554182838.db2.gz	KPSSLWHECBBJQF-HNNXBMFYSA-N	1	1	365.474	2.398	20	30		FEEDMO
Cc1cccc(Br)c1C(=O)NCCC(=O)N1CC[NH+](C)CC1	ZINC000330891019	554184194	/nfs/dbraw/zinc/18/41/94/554184194.db2.gz	WROCUNRYMATNSJ-UHFFFAOYSA-N	1	1	368.275	2.226	20	30		FEEDMO
Cc1cc(CCNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc(C)c1O	ZINC000330949165	554193149	/nfs/dbraw/zinc/19/31/49/554193149.db2.gz	IWMFKONKHYSPBF-MRXNPFEDSA-N	1	1	363.502	2.243	20	30		FEEDMO
CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1	ZINC000330964434	554194948	/nfs/dbraw/zinc/19/49/48/554194948.db2.gz	ZPMJJGDQAITEPS-SWLSCSKDSA-N	1	1	352.866	2.067	20	30		FEEDMO
CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1	ZINC000330964434	554194950	/nfs/dbraw/zinc/19/49/50/554194950.db2.gz	ZPMJJGDQAITEPS-SWLSCSKDSA-N	1	1	352.866	2.067	20	30		FEEDMO
COC1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CCC(C)CC1	ZINC000331049499	554206222	/nfs/dbraw/zinc/20/62/22/554206222.db2.gz	HPGADAMUWWYDHO-KOHRHEQBSA-N	1	1	355.523	2.273	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)C[C@H]1C	ZINC000331066580	554208632	/nfs/dbraw/zinc/20/86/32/554208632.db2.gz	QXZDAJIYRIYJLW-HUUCEWRRSA-N	1	1	361.442	2.096	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)C[C@H]1C	ZINC000331066580	554208634	/nfs/dbraw/zinc/20/86/34/554208634.db2.gz	QXZDAJIYRIYJLW-HUUCEWRRSA-N	1	1	361.442	2.096	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1	ZINC000508574697	561766385	/nfs/dbraw/zinc/76/63/85/561766385.db2.gz	APSFCSVLPMRBPV-UHFFFAOYSA-N	1	1	368.437	2.379	20	30		FEEDMO
CSC[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000331169740	554224758	/nfs/dbraw/zinc/22/47/58/554224758.db2.gz	CHJUFGVWBALKKU-OFQRWUPVSA-N	1	1	353.536	2.400	20	30		FEEDMO
CC[C@H](C)n1ncc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1C	ZINC000331168565	554225108	/nfs/dbraw/zinc/22/51/08/554225108.db2.gz	YWFBMSQLGJQLER-UONOGXRCSA-N	1	1	351.495	2.485	20	30		FEEDMO
O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cc(Br)ccc1O	ZINC000331316060	554246602	/nfs/dbraw/zinc/24/66/02/554246602.db2.gz	JDDXTUFOYXZZRD-LBPRGKRZSA-N	1	1	357.248	2.306	20	30		FEEDMO
N#CCN1CCC(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1	ZINC000331479563	554271547	/nfs/dbraw/zinc/27/15/47/554271547.db2.gz	TVPPWPKGHZJHBE-IBGZPJMESA-N	1	1	372.488	2.389	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)c1C#N	ZINC000509057676	561783035	/nfs/dbraw/zinc/78/30/35/561783035.db2.gz	SYRXPIMOFYECRQ-KPZWWZAWSA-N	1	1	370.428	2.356	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)c1C#N	ZINC000509057676	561783036	/nfs/dbraw/zinc/78/30/36/561783036.db2.gz	SYRXPIMOFYECRQ-KPZWWZAWSA-N	1	1	370.428	2.356	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000331874951	554336439	/nfs/dbraw/zinc/33/64/39/554336439.db2.gz	PCXHQDAYDWMORG-ZWKOTPCHSA-N	1	1	355.486	2.079	20	30		FEEDMO
CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCO[C@@H](C#N)C1	ZINC000331979103	554356707	/nfs/dbraw/zinc/35/67/07/554356707.db2.gz	FBWJRKWBXWEQRK-OALUTQOASA-N	1	1	370.497	2.393	20	30		FEEDMO
Cc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)o1	ZINC000332040344	554368731	/nfs/dbraw/zinc/36/87/31/554368731.db2.gz	UMPFXGFQNHBCAJ-QZTJIDSGSA-N	1	1	358.486	2.417	20	30		FEEDMO
Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)o1	ZINC000332040344	554368733	/nfs/dbraw/zinc/36/87/33/554368733.db2.gz	UMPFXGFQNHBCAJ-QZTJIDSGSA-N	1	1	358.486	2.417	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1C(F)(F)F	ZINC000332322165	554424917	/nfs/dbraw/zinc/42/49/17/554424917.db2.gz	ZUFBUWNETWDOTJ-CABCVRRESA-N	1	1	373.400	2.482	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000332339587	554428387	/nfs/dbraw/zinc/42/83/87/554428387.db2.gz	DRTHUUDZRHBDPM-LSDHHAIUSA-N	1	1	358.461	2.465	20	30		FEEDMO
CN1CCN(C(=O)CC2CC[NH+](Cc3cccc(C#N)c3F)CC2)CC1	ZINC000332542886	554468439	/nfs/dbraw/zinc/46/84/39/554468439.db2.gz	LOSPZCMHCVVTHI-UHFFFAOYSA-N	1	1	358.461	2.073	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1	ZINC000510596638	561840100	/nfs/dbraw/zinc/84/01/00/561840100.db2.gz	CNCUONAJUQPMJY-PKOBYXMFSA-N	1	1	357.498	2.281	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1	ZINC000510596638	561840101	/nfs/dbraw/zinc/84/01/01/561840101.db2.gz	CNCUONAJUQPMJY-PKOBYXMFSA-N	1	1	357.498	2.281	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)C1CC1	ZINC000333874589	554651439	/nfs/dbraw/zinc/65/14/39/554651439.db2.gz	QCXAXRPKPWMBNH-HOCLYGCPSA-N	1	1	373.419	2.476	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1)C1CC1	ZINC000333874589	554651441	/nfs/dbraw/zinc/65/14/41/554651441.db2.gz	QCXAXRPKPWMBNH-HOCLYGCPSA-N	1	1	373.419	2.476	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000334085563	554676457	/nfs/dbraw/zinc/67/64/57/554676457.db2.gz	LVRVYXCCMGZLTK-AVEIZBFRSA-N	1	1	351.491	2.003	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000348626838	554692603	/nfs/dbraw/zinc/69/26/03/554692603.db2.gz	SWPDYTYHOFOLFE-NXHRZFHOSA-N	1	1	357.454	2.020	20	30		FEEDMO
CC[NH+]1CCN(C(=O)Cc2noc(C[C@H](CC#N)c3ccccc3)n2)CC1	ZINC000350198871	554766994	/nfs/dbraw/zinc/76/69/94/554766994.db2.gz	CPZXMAVXDMXYKJ-KRWDZBQOSA-N	1	1	367.453	2.016	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C[C@@H]1C	ZINC000613157009	554893990	/nfs/dbraw/zinc/89/39/90/554893990.db2.gz	RDTMJUKIBBFBMX-AWEZNQCLSA-N	1	1	353.430	2.005	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1	ZINC000361799123	554935147	/nfs/dbraw/zinc/93/51/47/554935147.db2.gz	PGYDMDHKMBOURQ-IAGOWNOFSA-N	1	1	356.470	2.321	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1	ZINC000361799122	554935297	/nfs/dbraw/zinc/93/52/97/554935297.db2.gz	PGYDMDHKMBOURQ-DLBZAZTESA-N	1	1	356.470	2.321	20	30		FEEDMO
CC[N@H+]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C)C1	ZINC000511605283	561874033	/nfs/dbraw/zinc/87/40/33/561874033.db2.gz	JOAWXKMRFIMMKR-OAHLLOKOSA-N	1	1	367.415	2.199	20	30		FEEDMO
N#Cc1cc2c(nc1NC1CC[NH+](CC(=O)N3CCCC3)CC1)CCCC2	ZINC000362660582	554979360	/nfs/dbraw/zinc/97/93/60/554979360.db2.gz	ZRFCFWPTAXFDMT-UHFFFAOYSA-N	1	1	367.497	2.331	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OCC#N	ZINC000363007282	555008730	/nfs/dbraw/zinc/00/87/30/555008730.db2.gz	FXJOKFLKEZHBPP-DGDBIBOCSA-N	1	1	355.438	2.354	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2ncc(-c3cccc(OC)c3)o2)CC1	ZINC000363285174	555071009	/nfs/dbraw/zinc/07/10/09/555071009.db2.gz	DWXDSUTXQAKSNI-UHFFFAOYSA-N	1	1	353.422	2.312	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1	ZINC000363515026	555124994	/nfs/dbraw/zinc/12/49/94/555124994.db2.gz	AUBMMUYRRYMPQB-MJGOQNOKSA-N	1	1	357.454	2.087	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CN2CCCCC2=O)CC1	ZINC000363547319	555133834	/nfs/dbraw/zinc/13/38/34/555133834.db2.gz	XVBOSSLFJHFIRK-QGZVFWFLSA-N	1	1	374.529	2.442	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000363634633	555151615	/nfs/dbraw/zinc/15/16/15/555151615.db2.gz	VVLQNSIEZUEERR-RTBURBONSA-N	1	1	354.454	2.362	20	30		FEEDMO
C[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)Nc1cccc(C#N)c1	ZINC000363702513	555167878	/nfs/dbraw/zinc/16/78/78/555167878.db2.gz	BZIPAPZAIGFVGD-GIYDNNGJSA-N	1	1	370.497	2.364	20	30		FEEDMO
C[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)C(=O)Nc1cccc(C#N)c1	ZINC000363702513	555167880	/nfs/dbraw/zinc/16/78/80/555167880.db2.gz	BZIPAPZAIGFVGD-GIYDNNGJSA-N	1	1	370.497	2.364	20	30		FEEDMO
COC(=O)c1cn([C@H]2CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)nn1	ZINC000363999325	555230572	/nfs/dbraw/zinc/23/05/72/555230572.db2.gz	JGDMWYNJSGEHAP-INIZCTEOSA-N	1	1	369.425	2.042	20	30		FEEDMO
C[N@H+](CCc1nc(-c2ccccc2)no1)[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000512204806	561895826	/nfs/dbraw/zinc/89/58/26/561895826.db2.gz	WEISUEOCPVCHPM-GOSISDBHSA-N	1	1	361.405	2.309	20	30		FEEDMO
C[N@@H+](CCc1nc(-c2ccccc2)no1)[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000512204806	561895828	/nfs/dbraw/zinc/89/58/28/561895828.db2.gz	WEISUEOCPVCHPM-GOSISDBHSA-N	1	1	361.405	2.309	20	30		FEEDMO
N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCC[C@H](N2CCNC2=O)C1	ZINC000364089696	555247661	/nfs/dbraw/zinc/24/76/61/555247661.db2.gz	BJPLMHHTVGPYOD-FQEVSTJZSA-N	1	1	363.465	2.398	20	30		FEEDMO
CC[N@@H+](CCNC(=O)Nc1cc(C)n(-c2cccc(C#N)c2)n1)C1CC1	ZINC000364520324	555328561	/nfs/dbraw/zinc/32/85/61/555328561.db2.gz	LFGRLJCGSIDTMU-UHFFFAOYSA-N	1	1	352.442	2.658	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)COc1ccccc1C#N	ZINC000364671576	555370043	/nfs/dbraw/zinc/37/00/43/555370043.db2.gz	IETIYTZRBULKBL-RXVVDRJESA-N	1	1	364.449	2.483	20	30		FEEDMO
C=CCc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc(OC)c1OC	ZINC000364742404	555391073	/nfs/dbraw/zinc/39/10/73/555391073.db2.gz	KVNJMMIOPILSNE-MSOLQXFVSA-N	1	1	374.481	2.104	20	30		FEEDMO
C#CCOc1ccc(C(=O)N2CCC([NH+]3CCN(CCC)CC3)CC2)cc1	ZINC000364785078	555402088	/nfs/dbraw/zinc/40/20/88/555402088.db2.gz	GKLBGRCWOKLHBI-UHFFFAOYSA-N	1	1	369.509	2.331	20	30		FEEDMO
COc1ccc(C[N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1OCCCC#N	ZINC000364890149	555427574	/nfs/dbraw/zinc/42/75/74/555427574.db2.gz	JYWXPCVARXPBJW-LJQANCHMSA-N	1	1	359.426	2.452	20	30		FEEDMO
COc1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1OCCCC#N	ZINC000364890149	555427579	/nfs/dbraw/zinc/42/75/79/555427579.db2.gz	JYWXPCVARXPBJW-LJQANCHMSA-N	1	1	359.426	2.452	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@]2(CCC[C@@H]2NC(=O)OC(C)(C)C)C1	ZINC000365229514	555517323	/nfs/dbraw/zinc/51/73/23/555517323.db2.gz	QNTXEHIFVGCWEV-YZVOILCLSA-N	1	1	351.491	2.446	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1	ZINC000365253341	555523268	/nfs/dbraw/zinc/52/32/68/555523268.db2.gz	DQAJHMFBAYJJPK-GOSISDBHSA-N	1	1	366.465	2.017	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1	ZINC000365253341	555523271	/nfs/dbraw/zinc/52/32/71/555523271.db2.gz	DQAJHMFBAYJJPK-GOSISDBHSA-N	1	1	366.465	2.017	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCc1cccc(C#N)c1	ZINC000365336492	555546279	/nfs/dbraw/zinc/54/62/79/555546279.db2.gz	MXYVGVVWHDININ-AYOQOUSVSA-N	1	1	356.470	2.247	20	30		FEEDMO
COc1ccc(C[N@@H+](C)C2CCN(CCO)CC2)cc1OCCCC#N	ZINC000513557634	561942562	/nfs/dbraw/zinc/94/25/62/561942562.db2.gz	GSEBSUXYLIJWNA-UHFFFAOYSA-N	1	1	361.486	2.266	20	30		FEEDMO
COc1ccc(CN(C)C2CC[NH+](CCO)CC2)cc1OCCCC#N	ZINC000513557634	561942564	/nfs/dbraw/zinc/94/25/64/561942564.db2.gz	GSEBSUXYLIJWNA-UHFFFAOYSA-N	1	1	361.486	2.266	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1	ZINC000366051227	555737719	/nfs/dbraw/zinc/73/77/19/555737719.db2.gz	ADERWUPIBUSKSQ-SFHVURJKSA-N	1	1	357.454	2.040	20	30		FEEDMO
CN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000366250419	555793249	/nfs/dbraw/zinc/79/32/49/555793249.db2.gz	ZEPQUWLGDTVTDW-RBUKOAKNSA-N	1	1	356.470	2.343	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2cscn2)CC1	ZINC000514005499	561957684	/nfs/dbraw/zinc/95/76/84/561957684.db2.gz	LEZMPNHGMJGLSA-IBGZPJMESA-N	1	1	373.522	2.429	20	30		FEEDMO
Cc1cccc(CC2(O)CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1	ZINC000366480934	555856715	/nfs/dbraw/zinc/85/67/15/555856715.db2.gz	FHHUXQBSRGFLII-FQEVSTJZSA-N	1	1	355.482	2.173	20	30		FEEDMO
C[C@H](CO)[N@H+]1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1	ZINC000366508461	555862903	/nfs/dbraw/zinc/86/29/03/555862903.db2.gz	RPRCVGHHDUSZKH-MRXNPFEDSA-N	1	1	367.497	2.377	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000366702569	555913070	/nfs/dbraw/zinc/91/30/70/555913070.db2.gz	OMRQZNRXTPDAMU-ZSYWTGECSA-N	1	1	358.486	2.355	20	30		FEEDMO
CN(C1CC[NH+](Cc2ccncc2)CC1)S(=O)(=O)c1ccccc1C#N	ZINC000366746190	555923914	/nfs/dbraw/zinc/92/39/14/555923914.db2.gz	SFOYSWJDTGVFPM-UHFFFAOYSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000366960975	555983036	/nfs/dbraw/zinc/98/30/36/555983036.db2.gz	KAMMCDUIHOGXJY-LJQANCHMSA-N	1	1	372.432	2.243	20	30		FEEDMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000366960975	555983041	/nfs/dbraw/zinc/98/30/41/555983041.db2.gz	KAMMCDUIHOGXJY-LJQANCHMSA-N	1	1	372.432	2.243	20	30		FEEDMO
C[C@H]1C[C@@H](Nc2cc(S(N)(=O)=O)ccc2C#N)C[N@H+]1Cc1ccccc1	ZINC000367338684	556022168	/nfs/dbraw/zinc/02/21/68/556022168.db2.gz	CVHNIPSQJJSMAR-WMLDXEAASA-N	1	1	370.478	2.281	20	30		FEEDMO
CCN1CCN([C@H](C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000367614021	556097653	/nfs/dbraw/zinc/09/76/53/556097653.db2.gz	FCTFMWTXVFPEDR-GOSISDBHSA-N	1	1	355.530	2.143	20	30		FEEDMO
CN1CC[NH+]([C@@H]2CCCCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1	ZINC000367638743	556102499	/nfs/dbraw/zinc/10/24/99/556102499.db2.gz	QGHLGMKRNPLNPA-MRXNPFEDSA-N	1	1	360.889	2.454	20	30		FEEDMO
C=CCN(C(=O)C[C@@H]1CCCC(=O)N1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000367953953	556181764	/nfs/dbraw/zinc/18/17/64/556181764.db2.gz	YFNBQTCYQSPMFB-OALUTQOASA-N	1	1	355.482	2.334	20	30		FEEDMO
C#CC[C@]1(C(=O)NC[C@@H]2CC[N@H+](CC)C2)CCCN1C(=O)OC(C)(C)C	ZINC000368013531	556195098	/nfs/dbraw/zinc/19/50/98/556195098.db2.gz	BLDFEXBEJQXWMJ-OXJNMPFZSA-N	1	1	363.502	2.237	20	30		FEEDMO
CC(C)[C@]1(CO)CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000368071077	556210490	/nfs/dbraw/zinc/21/04/90/556210490.db2.gz	SSDRUZSPTGDFHC-HXUWFJFHSA-N	1	1	367.453	2.023	20	30		FEEDMO
CC(C)[C@]1(CO)CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000368071077	556210492	/nfs/dbraw/zinc/21/04/92/556210492.db2.gz	SSDRUZSPTGDFHC-HXUWFJFHSA-N	1	1	367.453	2.023	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCO1	ZINC000368186900	556242776	/nfs/dbraw/zinc/24/27/76/556242776.db2.gz	BRPCTPMXLOJUCH-ZGXWSNOMSA-N	1	1	368.481	2.221	20	30		FEEDMO
C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000515184645	561999570	/nfs/dbraw/zinc/99/95/70/561999570.db2.gz	ANCBVOIEPILKJI-AHCXZYCDSA-N	1	1	356.470	2.490	20	30		FEEDMO
C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000515184645	561999571	/nfs/dbraw/zinc/99/95/71/561999571.db2.gz	ANCBVOIEPILKJI-AHCXZYCDSA-N	1	1	356.470	2.490	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H]2CCN([C@H]3CCCc4ccccc43)C2=O)CC1	ZINC000368499824	556327693	/nfs/dbraw/zinc/32/76/93/556327693.db2.gz	SVGGGFUPJMMQNZ-SFTDATJTSA-N	1	1	351.494	2.306	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)C[C@H]2[C@@H]1c1ccccc1	ZINC000368619106	556364606	/nfs/dbraw/zinc/36/46/06/556364606.db2.gz	NNRQKHMNLLMFOL-KYJSFNMBSA-N	1	1	357.435	2.075	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1	ZINC000515415995	562009736	/nfs/dbraw/zinc/00/97/36/562009736.db2.gz	ANKXEOPBDQHSQR-AZUAARDMSA-N	1	1	367.474	2.453	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000368666136	556379198	/nfs/dbraw/zinc/37/91/98/556379198.db2.gz	CJTPZUPPDPTOOP-DFQSSKMNSA-N	1	1	371.481	2.163	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1	ZINC000368803528	556417182	/nfs/dbraw/zinc/41/71/82/556417182.db2.gz	CZUALPYAGOFSGD-UZLBHIALSA-N	1	1	362.518	2.202	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1	ZINC000368803528	556417183	/nfs/dbraw/zinc/41/71/83/556417183.db2.gz	CZUALPYAGOFSGD-UZLBHIALSA-N	1	1	362.518	2.202	20	30		FEEDMO
C[C@@]1([C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3Cl)C2)NC(=O)NC1=O	ZINC000368893584	556441065	/nfs/dbraw/zinc/44/10/65/556441065.db2.gz	CNDHXOABSMOMHE-GTNSWQLSSA-N	1	1	364.808	2.161	20	30		FEEDMO
C[C@@]1([C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C2)NC(=O)NC1=O	ZINC000368893584	556441069	/nfs/dbraw/zinc/44/10/69/556441069.db2.gz	CNDHXOABSMOMHE-GTNSWQLSSA-N	1	1	364.808	2.161	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCN(c2cnccc2C#N)CC1	ZINC000515952956	562026333	/nfs/dbraw/zinc/02/63/33/562026333.db2.gz	RNENVTIVYJQPBY-SFHVURJKSA-N	1	1	370.501	2.049	20	30		FEEDMO
COc1ccc([C@@H]2[C@@H](CNC(=O)N3CCO[C@H](C#N)C3)CCC[N@H+]2C)cc1	ZINC000369399110	556590731	/nfs/dbraw/zinc/59/07/31/556590731.db2.gz	ADZMNSFIFGGZBI-BHIYHBOVSA-N	1	1	372.469	2.012	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](C2CCOCC2)CC1	ZINC000369543846	556627177	/nfs/dbraw/zinc/62/71/77/556627177.db2.gz	NESBKXLETPQZOP-INIZCTEOSA-N	1	1	357.454	2.039	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3C#N)C[C@@H]2[C@H]1c1ccccc1	ZINC000369678090	556666325	/nfs/dbraw/zinc/66/63/25/556666325.db2.gz	JLXYCURXVADXBE-WSTZPKSXSA-N	1	1	367.474	2.482	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C	ZINC000369682577	556667544	/nfs/dbraw/zinc/66/75/44/556667544.db2.gz	FRQVKZJZXYZOSJ-UURKPOQGSA-N	1	1	350.503	2.363	20	30		FEEDMO
C[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C	ZINC000369859239	556714210	/nfs/dbraw/zinc/71/42/10/556714210.db2.gz	AFIUAKXDZKPIJW-QAPCUYQASA-N	1	1	370.501	2.046	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000369937515	556735526	/nfs/dbraw/zinc/73/55/26/556735526.db2.gz	QHKVJQYGOVRGSE-PKOBYXMFSA-N	1	1	369.513	2.326	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1N1CCN(C)CC1	ZINC000370147555	556793515	/nfs/dbraw/zinc/79/35/15/556793515.db2.gz	DNTHEZAFAVRWQC-NQIIRXRSSA-N	1	1	356.514	2.285	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1N1CCN(C)CC1	ZINC000370147555	556793519	/nfs/dbraw/zinc/79/35/19/556793519.db2.gz	DNTHEZAFAVRWQC-NQIIRXRSSA-N	1	1	356.514	2.285	20	30		FEEDMO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1	ZINC000516719376	562055685	/nfs/dbraw/zinc/05/56/85/562055685.db2.gz	UVQROPRDQVKTBE-XYJFISCASA-N	1	1	369.517	2.421	20	30		FEEDMO
CCc1nc(CN2C[C@@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@H]3C2)no1	ZINC000370413644	556865850	/nfs/dbraw/zinc/86/58/50/556865850.db2.gz	GZMALAOQDDBENC-HOTGVXAUSA-N	1	1	355.417	2.207	20	30		FEEDMO
C[C@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1	ZINC000516856937	562060715	/nfs/dbraw/zinc/06/07/15/562060715.db2.gz	IMBUGGINHLXDAP-PXNSSMCTSA-N	1	1	369.513	2.164	20	30		FEEDMO
CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C#Cc1ccc2c(c1)OCO2	ZINC000370583577	556914443	/nfs/dbraw/zinc/91/44/43/556914443.db2.gz	OVTACDKJMYVAKJ-INIZCTEOSA-N	1	1	351.406	2.217	20	30		FEEDMO
CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1	ZINC000370621075	556922841	/nfs/dbraw/zinc/92/28/41/556922841.db2.gz	AVVPDCLDOHNPHZ-CQSZACIVSA-N	1	1	355.446	2.141	20	30		FEEDMO
C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccnc1C#N	ZINC000370657283	556933053	/nfs/dbraw/zinc/93/30/53/556933053.db2.gz	HZTXUGKSQUNMBV-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccnc1C#N	ZINC000370657283	556933054	/nfs/dbraw/zinc/93/30/54/556933054.db2.gz	HZTXUGKSQUNMBV-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2ccnc(C(C)C)n2)CC1	ZINC000371229881	557113686	/nfs/dbraw/zinc/11/36/86/557113686.db2.gz	NTAQMIWLXUQPSH-AWEZNQCLSA-N	1	1	359.474	2.180	20	30		FEEDMO
N#Cc1cccc([C@H]2CN(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CCO2)c1	ZINC000371283714	557130813	/nfs/dbraw/zinc/13/08/13/557130813.db2.gz	LOXDJHZWJQMIAM-VQIMIIECSA-N	1	1	354.454	2.125	20	30		FEEDMO
Cc1[nH+]c(CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c2n1CCCC2	ZINC000371430341	557184416	/nfs/dbraw/zinc/18/44/16/557184416.db2.gz	JYJOWXZVTVTRRG-UHFFFAOYSA-N	1	1	371.828	2.308	20	30		FEEDMO
C[C@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1ccc(C#N)nc1	ZINC000371494556	557199910	/nfs/dbraw/zinc/19/99/10/557199910.db2.gz	ZDNPXFCHVJVZCF-OXQOHEQNSA-N	1	1	364.449	2.315	20	30		FEEDMO
C[C@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1ccc(C#N)nc1	ZINC000371494556	557199912	/nfs/dbraw/zinc/19/99/12/557199912.db2.gz	ZDNPXFCHVJVZCF-OXQOHEQNSA-N	1	1	364.449	2.315	20	30		FEEDMO
CC1(C)C[N@H+](C2(CNC(=O)C3(C#N)CCOCC3)CCCCC2)CCO1	ZINC000371585485	557230581	/nfs/dbraw/zinc/23/05/81/557230581.db2.gz	RQJATLQNFUYLKX-UHFFFAOYSA-N	1	1	363.502	2.237	20	30		FEEDMO
COc1cc(C[N@@H+](CCO)C[C@H](C)O)ccc1OCc1cccc(C#N)c1	ZINC000517784547	562098049	/nfs/dbraw/zinc/09/80/49/562098049.db2.gz	JUVHGBQKAIYCCU-INIZCTEOSA-N	1	1	370.449	2.321	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1	ZINC000371753245	557283634	/nfs/dbraw/zinc/28/36/34/557283634.db2.gz	NSGAVKPJIWCFNK-IBGZPJMESA-N	1	1	353.397	2.467	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1	ZINC000371753245	557283636	/nfs/dbraw/zinc/28/36/36/557283636.db2.gz	NSGAVKPJIWCFNK-IBGZPJMESA-N	1	1	353.397	2.467	20	30		FEEDMO
Cc1cc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)nn1-c1cccc(C#N)c1	ZINC000372373122	557453478	/nfs/dbraw/zinc/45/34/78/557453478.db2.gz	BLXBOIHOKCYKAW-QAPCUYQASA-N	1	1	364.453	2.753	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000519515501	562132968	/nfs/dbraw/zinc/13/29/68/562132968.db2.gz	JNWGWLNSENMIAM-OAHLLOKOSA-N	1	1	367.453	2.293	20	30		FEEDMO
C=CCN(C(=O)[C@H]1CCCN(C(N)=O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372598775	557516751	/nfs/dbraw/zinc/51/67/51/557516751.db2.gz	HGOMAZXDDITJJF-RBUKOAKNSA-N	1	1	370.497	2.066	20	30		FEEDMO
Cc1nnc(Cn2c3c(cc(C#N)c2=O)C[N@H+](Cc2ccccc2)CC3)o1	ZINC000519617865	562137353	/nfs/dbraw/zinc/13/73/53/562137353.db2.gz	QDNKPJXISDSFJZ-UHFFFAOYSA-N	1	1	361.405	2.018	20	30		FEEDMO
N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C(=O)Nc3nccs3)C2)cc1	ZINC000372797594	557564395	/nfs/dbraw/zinc/56/43/95/557564395.db2.gz	BGAKHPFHJOSHBY-HZPDHXFCSA-N	1	1	356.451	2.399	20	30		FEEDMO
COC(=O)c1coc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000373053958	557618165	/nfs/dbraw/zinc/61/81/65/557618165.db2.gz	UUPOATZSUMSIJT-DYVFJYSZSA-N	1	1	367.405	2.390	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCCC23CCC3)CC1	ZINC000373091357	557626704	/nfs/dbraw/zinc/62/67/04/557626704.db2.gz	BUNQBODHHKRPJB-MRXNPFEDSA-N	1	1	358.511	2.475	20	30		FEEDMO
C=CCNC(=O)CNC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1	ZINC000373185735	557646388	/nfs/dbraw/zinc/64/63/88/557646388.db2.gz	LBHYPORCVPXYRZ-OALUTQOASA-N	1	1	370.497	2.127	20	30		FEEDMO
COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373399509	557686720	/nfs/dbraw/zinc/68/67/20/557686720.db2.gz	LXLXPRYTOSNDAL-AWEZNQCLSA-N	1	1	368.441	2.131	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)CC[N@@H+](C)C3CC3)C2)n1	ZINC000373490788	557703619	/nfs/dbraw/zinc/70/36/19/557703619.db2.gz	UJBBNULYDKRKMU-QGZVFWFLSA-N	1	1	355.486	2.031	20	30		FEEDMO
C=CCN(Cc1nnc2n1CCOC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000373897761	557782362	/nfs/dbraw/zinc/78/23/62/557782362.db2.gz	CMBYEDZANZZIKA-GOSISDBHSA-N	1	1	353.470	2.071	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O	ZINC000374109857	557825262	/nfs/dbraw/zinc/82/52/62/557825262.db2.gz	URHXHSLMQTYVPU-DNVCBOLYSA-N	1	1	359.470	2.001	20	30		FEEDMO
N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)cc1	ZINC000374565429	557900487	/nfs/dbraw/zinc/90/04/87/557900487.db2.gz	GZFJXHZKGVBKRO-SJLPKXTDSA-N	1	1	353.422	2.327	20	30		FEEDMO
CN(C)c1noc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)n1	ZINC000374634652	557909827	/nfs/dbraw/zinc/90/98/27/557909827.db2.gz	AAXOFJKSEQHVBB-OAHLLOKOSA-N	1	1	368.441	2.215	20	30		FEEDMO
Cc1nc(CO[C@H]2CC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)cs1	ZINC000374911265	557949932	/nfs/dbraw/zinc/94/99/32/557949932.db2.gz	JAEXRBZOYWDJMD-SFHVURJKSA-N	1	1	370.478	2.231	20	30		FEEDMO
Cc1nc(CO[C@H]2CC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)cs1	ZINC000374911265	557949933	/nfs/dbraw/zinc/94/99/33/557949933.db2.gz	JAEXRBZOYWDJMD-SFHVURJKSA-N	1	1	370.478	2.231	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C[C@H]3CCCc4ccccc43)C2)CCO1	ZINC000374929321	557952825	/nfs/dbraw/zinc/95/28/25/557952825.db2.gz	KTQULYJAOFLKAD-CEXWTWQISA-N	1	1	353.466	2.179	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C[C@@H]21	ZINC000375018188	557964798	/nfs/dbraw/zinc/96/47/98/557964798.db2.gz	IULDCJLKDGWDPJ-YJBOKZPZSA-N	1	1	354.454	2.220	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)NCc2[nH+]c(C)n3c2CCCC3)c(F)c1	ZINC000375022782	557965831	/nfs/dbraw/zinc/96/58/31/557965831.db2.gz	KKLHCGRFGWKKBM-UHFFFAOYSA-N	1	1	372.375	2.042	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)C1=O	ZINC000375615555	558057279	/nfs/dbraw/zinc/05/72/79/558057279.db2.gz	ZUDZOFOHGORRRJ-HNAYVOBHSA-N	1	1	359.470	2.367	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1	ZINC000376541338	558187671	/nfs/dbraw/zinc/18/76/71/558187671.db2.gz	OSLLDOWZUGVKMN-OALUTQOASA-N	1	1	365.408	2.307	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1	ZINC000376541338	558187672	/nfs/dbraw/zinc/18/76/72/558187672.db2.gz	OSLLDOWZUGVKMN-OALUTQOASA-N	1	1	365.408	2.307	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1	ZINC000376641023	558201952	/nfs/dbraw/zinc/20/19/52/558201952.db2.gz	IHRYGACNCMRLOC-YLJYHZDGSA-N	1	1	374.529	2.155	20	30		FEEDMO
C#CCC(CC#C)C(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000376901372	558236278	/nfs/dbraw/zinc/23/62/78/558236278.db2.gz	DFAVYJMTIJAPQZ-LEWJYISDSA-N	1	1	352.478	2.445	20	30		FEEDMO
C#CCC(CC#C)C(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000376901372	558236280	/nfs/dbraw/zinc/23/62/80/558236280.db2.gz	DFAVYJMTIJAPQZ-LEWJYISDSA-N	1	1	352.478	2.445	20	30		FEEDMO
CC(C)(CCC#N)CNC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000377034520	558254039	/nfs/dbraw/zinc/25/40/39/558254039.db2.gz	PJYDDSYLXLXEED-ROUUACIJSA-N	1	1	358.486	2.251	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1	ZINC000377427115	558338282	/nfs/dbraw/zinc/33/82/82/558338282.db2.gz	QAVKJJCVALIPOL-SJORKVTESA-N	1	1	354.454	2.169	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)cc1F)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000377575063	558368612	/nfs/dbraw/zinc/36/86/12/558368612.db2.gz	KIMRJVCKDPQEAX-UHFFFAOYSA-N	1	1	358.461	2.216	20	30		FEEDMO
CN(Cc1ccc(C#N)cc1F)C1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000377575063	558368614	/nfs/dbraw/zinc/36/86/14/558368614.db2.gz	KIMRJVCKDPQEAX-UHFFFAOYSA-N	1	1	358.461	2.216	20	30		FEEDMO
C#Cc1ccc(CNCc2c(C)nn(C)c2N2CCC[N@H+](C)CC2)cc1	ZINC000377612719	558377416	/nfs/dbraw/zinc/37/74/16/558377416.db2.gz	BUQYXNQEINASOW-UHFFFAOYSA-N	1	1	351.498	2.142	20	30		FEEDMO
C#Cc1ccc(CNCc2c(C)nn(C)c2N2CCC[N@@H+](C)CC2)cc1	ZINC000377612719	558377419	/nfs/dbraw/zinc/37/74/19/558377419.db2.gz	BUQYXNQEINASOW-UHFFFAOYSA-N	1	1	351.498	2.142	20	30		FEEDMO
CC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)NCCCCC#N)c2C)C1	ZINC000377615136	558377930	/nfs/dbraw/zinc/37/79/30/558377930.db2.gz	MRVCVVIUDGNZEQ-UHFFFAOYSA-N	1	1	366.469	2.377	20	30		FEEDMO
N#Cc1ccccc1N1CCC(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1	ZINC000377895391	558443292	/nfs/dbraw/zinc/44/32/92/558443292.db2.gz	IXRBDZLTFSTPCQ-IBGZPJMESA-N	1	1	367.497	2.264	20	30		FEEDMO
CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000523411022	562212723	/nfs/dbraw/zinc/21/27/23/562212723.db2.gz	LBJWIRAOYXAWKY-AWEZNQCLSA-N	1	1	373.400	2.434	20	30		FEEDMO
CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000523411022	562212724	/nfs/dbraw/zinc/21/27/24/562212724.db2.gz	LBJWIRAOYXAWKY-AWEZNQCLSA-N	1	1	373.400	2.434	20	30		FEEDMO
CCc1nc(C#N)cc(N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)n1	ZINC000404181507	558631565	/nfs/dbraw/zinc/63/15/65/558631565.db2.gz	JKULFTSNIDOYRU-RBUKOAKNSA-N	1	1	363.465	2.390	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1	ZINC000409492491	558697352	/nfs/dbraw/zinc/69/73/52/558697352.db2.gz	WFHJBMFQCDCGHC-KRWDZBQOSA-N	1	1	370.563	2.443	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000409595604	558706846	/nfs/dbraw/zinc/70/68/46/558706846.db2.gz	QUPKGEVOHIJDHP-HNNXBMFYSA-N	1	1	370.544	2.030	20	30		FEEDMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)n1cnc(C#N)n1	ZINC000409757164	558718597	/nfs/dbraw/zinc/71/85/97/558718597.db2.gz	DQFZWLDGAMBVIS-WMZOPIPTSA-N	1	1	366.469	2.081	20	30		FEEDMO
CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000409841668	558722277	/nfs/dbraw/zinc/72/22/77/558722277.db2.gz	XGQYPUOUWUMMJB-XYJFISCASA-N	1	1	366.469	2.395	20	30		FEEDMO
CC[N@@H+](CCC1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1)CC(C)C	ZINC000409893224	558725393	/nfs/dbraw/zinc/72/53/93/558725393.db2.gz	XRSAVAQVUPZBPW-MRXNPFEDSA-N	1	1	360.506	2.317	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)C1=O	ZINC000410394524	558754830	/nfs/dbraw/zinc/75/48/30/558754830.db2.gz	YZJQMGBRSQWZRL-ZBFHGGJFSA-N	1	1	372.387	2.164	20	30		FEEDMO
Cc1cc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n(CCC#N)n1	ZINC000524866362	562236403	/nfs/dbraw/zinc/23/64/03/562236403.db2.gz	LELJAQJOIWUNGE-GOSISDBHSA-N	1	1	367.453	2.335	20	30		FEEDMO
Cc1cc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n(CCC#N)n1	ZINC000524866362	562236404	/nfs/dbraw/zinc/23/64/04/562236404.db2.gz	LELJAQJOIWUNGE-GOSISDBHSA-N	1	1	367.453	2.335	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC[N@H+]1C	ZINC000525852783	562257393	/nfs/dbraw/zinc/25/73/93/562257393.db2.gz	CJQMHLVUVFWMDQ-YKWDICOMSA-N	1	1	371.485	2.425	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](C(=O)N(C)C)C2)c1	ZINC000411954837	558994309	/nfs/dbraw/zinc/99/43/09/558994309.db2.gz	PUDHAKBAAOASFL-MSOLQXFVSA-N	1	1	370.497	2.349	20	30		FEEDMO
C[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000411990433	558999750	/nfs/dbraw/zinc/99/97/50/558999750.db2.gz	ZFDOBXDSWOUWJG-GOSISDBHSA-N	1	1	362.477	2.381	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000526057133	562265360	/nfs/dbraw/zinc/26/53/60/562265360.db2.gz	ULCLKDKMAJVGLT-HNNXBMFYSA-N	1	1	352.438	2.352	20	30		FEEDMO
COC(=O)[C@@H]1CN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@@H+](C)C1	ZINC000413588365	559118834	/nfs/dbraw/zinc/11/88/34/559118834.db2.gz	XSFBUFSUBVSDAR-ROUUACIJSA-N	1	1	372.469	2.168	20	30		FEEDMO
CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000413846947	559134447	/nfs/dbraw/zinc/13/44/47/559134447.db2.gz	SMZWFSVZXDDZRK-RBUKOAKNSA-N	1	1	354.498	2.194	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H](O)[C@@H](CO)C3)c2)c1	ZINC000414556057	559171366	/nfs/dbraw/zinc/17/13/66/559171366.db2.gz	JEEHUHOXRHIIMR-TZIWHRDSSA-N	1	1	352.434	2.312	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[N@@H+]3CC=CCC3)C2)c(F)c1	ZINC000527231312	562281306	/nfs/dbraw/zinc/28/13/06/562281306.db2.gz	RPCOEVKNTMHJLL-QGZVFWFLSA-N	1	1	371.460	2.227	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C[N@H+]1CCO	ZINC000419622012	559450319	/nfs/dbraw/zinc/45/03/19/559450319.db2.gz	SHLQKVKJMMVUMN-ZRGWGRIASA-N	1	1	356.470	2.032	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C1	ZINC000419627143	559450447	/nfs/dbraw/zinc/45/04/47/559450447.db2.gz	XUBUNYMGHJUHRY-YZVOILCLSA-N	1	1	356.470	2.032	20	30		FEEDMO
C=CCC[C@H]1NC(=O)N(Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)C1=O	ZINC000419924050	559464792	/nfs/dbraw/zinc/46/47/92/559464792.db2.gz	MNALXYZWCGVDBZ-LJQANCHMSA-N	1	1	370.497	2.211	20	30		FEEDMO
C=CCC[C@@H]1NC(=O)N(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000419955428	559466216	/nfs/dbraw/zinc/46/62/16/559466216.db2.gz	RJPFXCIITXWBKH-ROUUACIJSA-N	1	1	357.454	2.164	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000420739208	559501518	/nfs/dbraw/zinc/50/15/18/559501518.db2.gz	PGWKAVNMWQVVRA-LBPRGKRZSA-N	1	1	361.389	2.292	20	30		FEEDMO
CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](CO)O1	ZINC000420945453	559513274	/nfs/dbraw/zinc/51/32/74/559513274.db2.gz	SVGZTIZDQKEBIP-AWEZNQCLSA-N	1	1	351.834	2.012	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1	ZINC000421021488	559519918	/nfs/dbraw/zinc/51/99/18/559519918.db2.gz	OGBJTMIWRCEQAN-CLCXKQKWSA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1	ZINC000421021488	559519919	/nfs/dbraw/zinc/51/99/19/559519919.db2.gz	OGBJTMIWRCEQAN-CLCXKQKWSA-N	1	1	351.491	2.341	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1	ZINC000422307702	559577343	/nfs/dbraw/zinc/57/73/43/559577343.db2.gz	OMHFXMXLRJNVJM-SJLPKXTDSA-N	1	1	370.497	2.212	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1	ZINC000422487200	559591267	/nfs/dbraw/zinc/59/12/67/559591267.db2.gz	HXGPLODEAUKWEL-RBUKOAKNSA-N	1	1	357.498	2.138	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000527299130	562284233	/nfs/dbraw/zinc/28/42/33/562284233.db2.gz	XUKGIYLPPYGEHG-CHWSQXEVSA-N	1	1	369.391	2.490	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000527299130	562284234	/nfs/dbraw/zinc/28/42/34/562284234.db2.gz	XUKGIYLPPYGEHG-CHWSQXEVSA-N	1	1	369.391	2.490	20	30		FEEDMO
COCC(C)(C)[NH+]1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000424987977	559682260	/nfs/dbraw/zinc/68/22/60/559682260.db2.gz	DEVUHBPFSPYRKW-UHFFFAOYSA-N	1	1	368.437	2.396	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000425883604	559723844	/nfs/dbraw/zinc/72/38/44/559723844.db2.gz	MRCMABLJPUQGRW-ZACQAIPSSA-N	1	1	370.497	2.314	20	30		FEEDMO
N#Cc1cnc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1	ZINC000427928574	559765405	/nfs/dbraw/zinc/76/54/05/559765405.db2.gz	MFDZTKWYZVFJRE-UHFFFAOYSA-N	1	1	370.840	2.369	20	30		FEEDMO
N#Cc1cnc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(Cl)c1	ZINC000427938525	559765717	/nfs/dbraw/zinc/76/57/17/559765717.db2.gz	PFCLRKMYTGYAFD-UHFFFAOYSA-N	1	1	362.861	2.372	20	30		FEEDMO
Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]Cc2cccc(F)c2C#N)CC(=O)N1C	ZINC000428419602	559775244	/nfs/dbraw/zinc/77/52/44/559775244.db2.gz	BNTXYPCNCYBGSW-VQIMIIECSA-N	1	1	355.417	2.109	20	30		FEEDMO
N#Cc1cccc(NCC(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c1	ZINC000428542767	559777636	/nfs/dbraw/zinc/77/76/36/559777636.db2.gz	VGUSHDXPYUFFRH-LJQANCHMSA-N	1	1	350.422	2.175	20	30		FEEDMO
C[C@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(F)cc1	ZINC000428772065	559782923	/nfs/dbraw/zinc/78/29/23/559782923.db2.gz	KKBZUAWMLSAWDC-KBXCAEBGSA-N	1	1	368.412	2.423	20	30		FEEDMO
C[C@H](NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(F)cc1	ZINC000428772065	559782924	/nfs/dbraw/zinc/78/29/24/559782924.db2.gz	KKBZUAWMLSAWDC-KBXCAEBGSA-N	1	1	368.412	2.423	20	30		FEEDMO
COC(=O)c1cccc(OCC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000428783314	559783066	/nfs/dbraw/zinc/78/30/66/559783066.db2.gz	MYVLWPYUBLJEIU-GOSISDBHSA-N	1	1	367.405	2.272	20	30		FEEDMO
C=C(C)COCCNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000428790343	559783526	/nfs/dbraw/zinc/78/35/26/559783526.db2.gz	WZGQFNSVJYFYCB-GOSISDBHSA-N	1	1	363.527	2.496	20	30		FEEDMO
C=C(C)COCCNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000428790343	559783527	/nfs/dbraw/zinc/78/35/27/559783527.db2.gz	WZGQFNSVJYFYCB-GOSISDBHSA-N	1	1	363.527	2.496	20	30		FEEDMO
C[C@H](c1ccccc1)[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)C(N)=O	ZINC000428865746	559785174	/nfs/dbraw/zinc/78/51/74/559785174.db2.gz	WTCWRSMPYCKFRO-KZULUSFZSA-N	1	1	370.840	2.397	20	30		FEEDMO
Cc1cccc2c1C[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC2	ZINC000429561708	559801420	/nfs/dbraw/zinc/80/14/20/559801420.db2.gz	SHJAZSLBVSZSDJ-FQEVSTJZSA-N	1	1	354.498	2.046	20	30		FEEDMO
C[C@H]1CC[C@@H]([N@@H+](CCO)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000429773991	559805447	/nfs/dbraw/zinc/80/54/47/559805447.db2.gz	SAFLQQHEOBJAPG-MAUKXSAKSA-N	1	1	367.453	2.165	20	30		FEEDMO
Cc1onc(CC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1C#N	ZINC000430104542	559813048	/nfs/dbraw/zinc/81/30/48/559813048.db2.gz	RRDGZAWHBGIXGA-INIZCTEOSA-N	1	1	370.478	2.131	20	30		FEEDMO
Cc1onc(CC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1C#N	ZINC000430104542	559813049	/nfs/dbraw/zinc/81/30/49/559813049.db2.gz	RRDGZAWHBGIXGA-INIZCTEOSA-N	1	1	370.478	2.131	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+](CCO)[C@H]1CCCSC1	ZINC000433191032	559872985	/nfs/dbraw/zinc/87/29/85/559872985.db2.gz	TXUMTWXCETWQAQ-ROUUACIJSA-N	1	1	351.512	2.345	20	30		FEEDMO
COc1cc2c(cc1OC)CC[NH+]([C@@H](C(N)=O)c1ccc(C#N)cc1)CC2	ZINC000434802448	559909707	/nfs/dbraw/zinc/90/97/07/559909707.db2.gz	MBXFZHKWWCZTPF-HXUWFJFHSA-N	1	1	365.433	2.203	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)c1cccc(F)c1	ZINC000435437012	559922984	/nfs/dbraw/zinc/92/29/84/559922984.db2.gz	IDMJUYWEOVSOSE-AWEZNQCLSA-N	1	1	353.444	2.340	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H](C)C1	ZINC000435436743	559923004	/nfs/dbraw/zinc/92/30/04/559923004.db2.gz	GTLMDWDEFXBEOC-ZFWWWQNUSA-N	1	1	371.528	2.035	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)c1ccc(C#N)s1)Cc1ccc(F)cc1	ZINC000435448391	559923418	/nfs/dbraw/zinc/92/34/18/559923418.db2.gz	VLPWUFOLWIAIGK-UHFFFAOYSA-N	1	1	353.444	2.169	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)c1ccc(C#N)s1)Cc1ccc(F)cc1	ZINC000435448391	559923419	/nfs/dbraw/zinc/92/34/19/559923419.db2.gz	VLPWUFOLWIAIGK-UHFFFAOYSA-N	1	1	353.444	2.169	20	30		FEEDMO
Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCC1	ZINC000527378215	562287267	/nfs/dbraw/zinc/28/72/67/562287267.db2.gz	KCTJPAMKYJZZTJ-MRXNPFEDSA-N	1	1	351.454	2.372	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1	ZINC000440079099	560004355	/nfs/dbraw/zinc/00/43/55/560004355.db2.gz	UDHZTAJUZUJZAB-GOSISDBHSA-N	1	1	373.453	2.391	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1	ZINC000440079100	560004383	/nfs/dbraw/zinc/00/43/83/560004383.db2.gz	UDHZTAJUZUJZAB-SFHVURJKSA-N	1	1	373.453	2.391	20	30		FEEDMO
CN1CC[NH+](CCCNC(=O)c2cn(CCCC#N)c3ccccc23)CC1	ZINC000443914266	560096127	/nfs/dbraw/zinc/09/61/27/560096127.db2.gz	FBZTUTVDHCZCLR-UHFFFAOYSA-N	1	1	367.497	2.312	20	30		FEEDMO
C=CC[C@@H]1[N@H+](CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CCCC1(C)C	ZINC000444784357	560120664	/nfs/dbraw/zinc/12/06/64/560120664.db2.gz	NMWFLAAIKCGAFZ-INIZCTEOSA-N	1	1	365.499	2.339	20	30		FEEDMO
N#Cc1cc(F)c(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(F)c1	ZINC000446254750	560142826	/nfs/dbraw/zinc/14/28/26/560142826.db2.gz	ZOXABUZGYBDHJG-FQEVSTJZSA-N	1	1	371.387	2.203	20	30		FEEDMO
CC(C)c1ccc2ncc(C#N)c(NC[C@](C)(O)C[NH+]3CCOCC3)c2c1	ZINC000447685689	560167080	/nfs/dbraw/zinc/16/70/80/560167080.db2.gz	AXJUHWGERVWDFU-NRFANRHFSA-N	1	1	368.481	2.147	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(C#N)n3C)c2)CCO1	ZINC000448798606	560200088	/nfs/dbraw/zinc/20/00/88/560200088.db2.gz	TVVCXOFLDRPXTP-OAHLLOKOSA-N	1	1	352.438	2.047	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(C#N)n3C)c2)CCO1	ZINC000448798606	560200089	/nfs/dbraw/zinc/20/00/89/560200089.db2.gz	TVVCXOFLDRPXTP-OAHLLOKOSA-N	1	1	352.438	2.047	20	30		FEEDMO
N#Cc1cccc(C(=O)NCC[NH+]2CCSCC2)c1Br	ZINC000448963027	560209009	/nfs/dbraw/zinc/20/90/09/560209009.db2.gz	UTJBUFKTRLCXIP-UHFFFAOYSA-N	1	1	354.273	2.099	20	30		FEEDMO
C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cccc(C#N)c1Br	ZINC000448971815	560209558	/nfs/dbraw/zinc/20/95/58/560209558.db2.gz	QANUJGIBEPZEGT-GFCCVEGCSA-N	1	1	366.259	2.161	20	30		FEEDMO
CS(=O)(=O)c1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)o1	ZINC000527807198	562304769	/nfs/dbraw/zinc/30/47/69/562304769.db2.gz	BIPNCHTVMHLDTK-UHFFFAOYSA-N	1	1	360.435	2.350	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CC[N@H+]1C	ZINC000449943191	560246008	/nfs/dbraw/zinc/24/60/08/560246008.db2.gz	YHBQHRIBCFXCRC-DGCLKSJQSA-N	1	1	366.259	2.298	20	30		FEEDMO
C[C@H](CNc1ncc(C#N)cc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1	ZINC000450257131	560255865	/nfs/dbraw/zinc/25/58/65/560255865.db2.gz	JTNCJPSSQUCORC-OAHLLOKOSA-N	1	1	366.425	2.484	20	30		FEEDMO
Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451095086	560286746	/nfs/dbraw/zinc/28/67/46/560286746.db2.gz	RTPYGZUANDFXJZ-UHFFFAOYSA-N	1	1	352.847	2.280	20	30		FEEDMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451190185	560292267	/nfs/dbraw/zinc/29/22/67/560292267.db2.gz	KLXDBURKOZRBBQ-JSGCOSHPSA-N	1	1	353.875	2.263	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)CC1	ZINC000451403890	560304648	/nfs/dbraw/zinc/30/46/48/560304648.db2.gz	FHNUPDRDKFOXQQ-JYJNAYRXSA-N	1	1	374.451	2.342	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C[C@@H]2C)CC1	ZINC000451403890	560304649	/nfs/dbraw/zinc/30/46/49/560304649.db2.gz	FHNUPDRDKFOXQQ-JYJNAYRXSA-N	1	1	374.451	2.342	20	30		FEEDMO
N#CCc1ccc(S(=O)(=O)NC[C@H]2CCc3[nH+]ccn3C2)c(Cl)c1	ZINC000451430188	560306701	/nfs/dbraw/zinc/30/67/01/560306701.db2.gz	MYZWBFODUBEPQH-CYBMUJFWSA-N	1	1	364.858	2.143	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccc(F)cc3C#N)C2)CC1	ZINC000451530162	560312360	/nfs/dbraw/zinc/31/23/60/560312360.db2.gz	HMABASVGFRYASO-SFHVURJKSA-N	1	1	372.488	2.464	20	30		FEEDMO
COc1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)CCO2	ZINC000451643017	560318871	/nfs/dbraw/zinc/31/88/71/560318871.db2.gz	RRMKVCMIOFZKCJ-QGZVFWFLSA-N	1	1	354.406	2.201	20	30		FEEDMO
COc1ccc2c(c1)C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)CCO2	ZINC000451643017	560318872	/nfs/dbraw/zinc/31/88/72/560318872.db2.gz	RRMKVCMIOFZKCJ-QGZVFWFLSA-N	1	1	354.406	2.201	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1	ZINC000451682742	560321662	/nfs/dbraw/zinc/32/16/62/560321662.db2.gz	PXMAUNCZABPFLB-NEPJUHHUSA-N	1	1	360.414	2.113	20	30		FEEDMO
CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	ZINC000451940900	560339623	/nfs/dbraw/zinc/33/96/23/560339623.db2.gz	WHXJVRDCIKJKQQ-QZTJIDSGSA-N	1	1	374.485	2.424	20	30		FEEDMO
C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CCN(CCC(F)(F)F)CC1	ZINC000452107633	560351658	/nfs/dbraw/zinc/35/16/58/560351658.db2.gz	BUSUUZFBEZCFGK-MRXNPFEDSA-N	1	1	360.424	2.143	20	30		FEEDMO
C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CCN(CCC(F)(F)F)CC1	ZINC000452107633	560351659	/nfs/dbraw/zinc/35/16/59/560351659.db2.gz	BUSUUZFBEZCFGK-MRXNPFEDSA-N	1	1	360.424	2.143	20	30		FEEDMO
C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](CCOC)[C@@H](C)C1	ZINC000453460966	560387206	/nfs/dbraw/zinc/38/72/06/560387206.db2.gz	FHNYGIPSNKXJHY-DLBZAZTESA-N	1	1	363.506	2.253	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1	ZINC000453653721	560393757	/nfs/dbraw/zinc/39/37/57/560393757.db2.gz	HKHZAFLXZTVVRK-KRWDZBQOSA-N	1	1	354.454	2.186	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[N@@H+](C)C1CC1	ZINC000453659830	560394305	/nfs/dbraw/zinc/39/43/05/560394305.db2.gz	VZPQXZGKXVPIBI-CYBMUJFWSA-N	1	1	372.469	2.273	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453666866	560394890	/nfs/dbraw/zinc/39/48/90/560394890.db2.gz	HXZSGTJWBYJKOZ-UHFFFAOYSA-N	1	1	373.844	2.398	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453703503	560398094	/nfs/dbraw/zinc/39/80/94/560398094.db2.gz	BTETVVHUAMYUDD-CQSZACIVSA-N	1	1	372.469	2.084	20	30		FEEDMO
N#CCc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c(Cl)c1	ZINC000453752029	560401658	/nfs/dbraw/zinc/40/16/58/560401658.db2.gz	QGVDATNCLBAEGX-OAHLLOKOSA-N	1	1	374.872	2.478	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@@H](C)C1	ZINC000453754213	560401809	/nfs/dbraw/zinc/40/18/09/560401809.db2.gz	VWRICUZEKIEECX-AWEZNQCLSA-N	1	1	372.469	2.227	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@@H](C)C1	ZINC000453754213	560401810	/nfs/dbraw/zinc/40/18/10/560401810.db2.gz	VWRICUZEKIEECX-AWEZNQCLSA-N	1	1	372.469	2.227	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@H](C)[N@H+]1C	ZINC000453773464	560403310	/nfs/dbraw/zinc/40/33/10/560403310.db2.gz	RXDNFJUJJSJBPA-OKILXGFUSA-N	1	1	372.469	2.225	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C[C@H](C)[N@@H+]1C	ZINC000453773464	560403311	/nfs/dbraw/zinc/40/33/11/560403311.db2.gz	RXDNFJUJJSJBPA-OKILXGFUSA-N	1	1	372.469	2.225	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2	ZINC000453930446	560414193	/nfs/dbraw/zinc/41/41/93/560414193.db2.gz	JSYMBJDYQHFJJP-KYNGSXCRSA-N	1	1	371.481	2.445	20	30		FEEDMO
CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000455100593	560470225	/nfs/dbraw/zinc/47/02/25/560470225.db2.gz	NMAHHDFPHYHLHD-CQSZACIVSA-N	1	1	370.432	2.831	20	30		FEEDMO
CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000455104707	560470318	/nfs/dbraw/zinc/47/03/18/560470318.db2.gz	PXVUBVZHFFQCFM-OAHLLOKOSA-N	1	1	370.432	2.831	20	30		FEEDMO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H]1C	ZINC000455696915	560492248	/nfs/dbraw/zinc/49/22/48/560492248.db2.gz	DEJGTIZMFIYEJO-OLZOCXBDSA-N	1	1	350.850	2.325	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H]1C	ZINC000455696915	560492249	/nfs/dbraw/zinc/49/22/49/560492249.db2.gz	DEJGTIZMFIYEJO-OLZOCXBDSA-N	1	1	350.850	2.325	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](C)C1	ZINC000455740803	560493390	/nfs/dbraw/zinc/49/33/90/560493390.db2.gz	YQPNTUWSLBZNRU-STQMWFEESA-N	1	1	350.850	2.325	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455791807	560494829	/nfs/dbraw/zinc/49/48/29/560494829.db2.gz	QUTRZLITJUBPGL-UHFFFAOYSA-N	1	1	365.865	2.429	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H]1C	ZINC000456001883	560504025	/nfs/dbraw/zinc/50/40/25/560504025.db2.gz	VKTSFTPAXHESLM-INIZCTEOSA-N	1	1	371.481	2.223	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@@H]1C	ZINC000456001883	560504026	/nfs/dbraw/zinc/50/40/26/560504026.db2.gz	VKTSFTPAXHESLM-INIZCTEOSA-N	1	1	371.481	2.223	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NCCCC[N@H+](C)C3CC3)cc2C1=O	ZINC000457189530	560555163	/nfs/dbraw/zinc/55/51/63/560555163.db2.gz	UANGSWRYOUWYQL-UHFFFAOYSA-N	1	1	355.438	2.073	20	30		FEEDMO
C=C(C)[C@@H](NC(=O)N1CC[N@@H+](CCO)C[C@H]1C)c1ccc(F)c(F)c1	ZINC000458669779	560639611	/nfs/dbraw/zinc/63/96/11/560639611.db2.gz	KXFJVPXPRWZTAI-CXAGYDPISA-N	1	1	353.413	2.290	20	30		FEEDMO
C=C(C)[C@@H](NC(=O)N1CC[N@H+](CCO)C[C@H]1C)c1ccc(F)c(F)c1	ZINC000458669779	560639612	/nfs/dbraw/zinc/63/96/12/560639612.db2.gz	KXFJVPXPRWZTAI-CXAGYDPISA-N	1	1	353.413	2.290	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000458708118	560642314	/nfs/dbraw/zinc/64/23/14/560642314.db2.gz	GMKDSZNEVCGKGH-MSOLQXFVSA-N	1	1	363.527	2.230	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000458708118	560642316	/nfs/dbraw/zinc/64/23/16/560642316.db2.gz	GMKDSZNEVCGKGH-MSOLQXFVSA-N	1	1	363.527	2.230	20	30		FEEDMO
C=CC(C)(C)CNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000458991704	560660770	/nfs/dbraw/zinc/66/07/70/560660770.db2.gz	UOZJSJNKMBNZSM-UHFFFAOYSA-N	1	1	351.413	2.495	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCc2ccc(C#N)c(F)c2)C[C@H](C)O1	ZINC000459132827	560668903	/nfs/dbraw/zinc/66/89/03/560668903.db2.gz	XVKTUMJZAQCRRA-DAYGRLMNSA-N	1	1	374.460	2.481	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCc2ccc(C#N)c(F)c2)C[C@H](C)O1	ZINC000459132827	560668905	/nfs/dbraw/zinc/66/89/05/560668905.db2.gz	XVKTUMJZAQCRRA-DAYGRLMNSA-N	1	1	374.460	2.481	20	30		FEEDMO
COc1cc[nH+]c(N2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)c1	ZINC000459337839	560680691	/nfs/dbraw/zinc/68/06/91/560680691.db2.gz	LJMPDCVONIQBTC-UHFFFAOYSA-N	1	1	353.382	2.192	20	30		FEEDMO
CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1	ZINC000459823252	560710808	/nfs/dbraw/zinc/71/08/08/560710808.db2.gz	IYFIKTFKYUVGHE-ZWKOTPCHSA-N	1	1	374.485	2.424	20	30		FEEDMO
C=C(C)Cn1c(C(C)C)nnc1N1CCN(c2cc[nH+]c(N(C)C)n2)CC1	ZINC000460374744	560742764	/nfs/dbraw/zinc/74/27/64/560742764.db2.gz	MLTBLTAVNHHDDT-UHFFFAOYSA-N	1	1	370.505	2.160	20	30		FEEDMO
N#C[C@@H]1CCC[C@H]1NC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000461957861	560789704	/nfs/dbraw/zinc/78/97/04/560789704.db2.gz	LLCJFWBOONDNTH-VQTJNVASSA-N	1	1	369.513	2.186	20	30		FEEDMO
C[C@@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)[N@H+]1CCC[C@H](C)C1	ZINC000462128995	560798286	/nfs/dbraw/zinc/79/82/86/560798286.db2.gz	OTQJGUCLYYIDAF-HOTGVXAUSA-N	1	1	356.470	2.451	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C	ZINC000464209440	560836202	/nfs/dbraw/zinc/83/62/02/560836202.db2.gz	VZHJLOIXKSJKEL-INIZCTEOSA-N	1	1	365.499	2.356	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)cc2C1=O	ZINC000468472323	560930831	/nfs/dbraw/zinc/93/08/31/560930831.db2.gz	JSNMFKAJHRHVEN-KRWDZBQOSA-N	1	1	369.465	2.319	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[C@@H]1C	ZINC000469998125	560971511	/nfs/dbraw/zinc/97/15/11/560971511.db2.gz	BSDUPSJCILYUHS-JKIFEVAISA-N	1	1	361.417	2.344	20	30		FEEDMO
CCN(C[C@H]1CC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1)CC(F)(F)F	ZINC000470367731	560979709	/nfs/dbraw/zinc/97/97/09/560979709.db2.gz	SGQSDCYZBVCPDX-LSDHHAIUSA-N	1	1	362.440	2.201	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3nn[nH]c3C1)CCCC2	ZINC000472748941	561034384	/nfs/dbraw/zinc/03/43/84/561034384.db2.gz	IXMMNUVMQWNDBV-UHFFFAOYSA-N	1	1	356.455	2.004	20	30		FEEDMO
CN(CC(=O)NCc1cccc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000474210687	561068414	/nfs/dbraw/zinc/06/84/14/561068414.db2.gz	KOASWBYTZQFUHA-OAQYLSRUSA-N	1	1	362.477	2.381	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cnn(C)c2C#N)C1	ZINC000474912878	561085326	/nfs/dbraw/zinc/08/53/26/561085326.db2.gz	SGWHBSSFLDAOMR-OAHLLOKOSA-N	1	1	351.454	2.454	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)C[C@H](CC#N)c2ccccc2)CC1	ZINC000476041407	561110069	/nfs/dbraw/zinc/11/00/69/561110069.db2.gz	MXFXHBRXLAEYIT-QUCCMNQESA-N	1	1	356.514	2.464	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cnn(C)c3C#N)c2)C[C@H](C)O1	ZINC000476095903	561111218	/nfs/dbraw/zinc/11/12/18/561111218.db2.gz	PUIZAKUGWQPBEA-OKILXGFUSA-N	1	1	353.426	2.153	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cnn(C)c3C#N)c2)C[C@H](C)O1	ZINC000476095903	561111219	/nfs/dbraw/zinc/11/12/19/561111219.db2.gz	PUIZAKUGWQPBEA-OKILXGFUSA-N	1	1	353.426	2.153	20	30		FEEDMO
CC(C)OCC[NH+]1CCC(N[C@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000476826017	561129329	/nfs/dbraw/zinc/12/93/29/561129329.db2.gz	YSXHFDJOZSBIQQ-QGZVFWFLSA-N	1	1	364.534	2.197	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1	ZINC000528418176	562328065	/nfs/dbraw/zinc/32/80/65/562328065.db2.gz	COEXQHKQXRTPFO-SIKLNZKXSA-N	1	1	364.445	2.472	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1	ZINC000528418176	562328066	/nfs/dbraw/zinc/32/80/66/562328066.db2.gz	COEXQHKQXRTPFO-SIKLNZKXSA-N	1	1	364.445	2.472	20	30		FEEDMO
CC1(C)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1[C@@H]1CCCO1	ZINC000528504122	562332838	/nfs/dbraw/zinc/33/28/38/562332838.db2.gz	MQZIDTXJLWPXOS-ROUUACIJSA-N	1	1	352.434	2.175	20	30		FEEDMO
CC1(C)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1[C@@H]1CCCO1	ZINC000528504122	562332839	/nfs/dbraw/zinc/33/28/39/562332839.db2.gz	MQZIDTXJLWPXOS-ROUUACIJSA-N	1	1	352.434	2.175	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1	ZINC000528525154	562333944	/nfs/dbraw/zinc/33/39/44/562333944.db2.gz	MIGYJAWLYANDEA-PXNSSMCTSA-N	1	1	360.413	2.094	20	30		FEEDMO
CCOC[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1	ZINC000528721248	562343635	/nfs/dbraw/zinc/34/36/35/562343635.db2.gz	LXDLVCRGQXSTET-OAHLLOKOSA-N	1	1	351.834	2.278	20	30		FEEDMO
CCOC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1	ZINC000528721248	562343636	/nfs/dbraw/zinc/34/36/36/562343636.db2.gz	LXDLVCRGQXSTET-OAHLLOKOSA-N	1	1	351.834	2.278	20	30		FEEDMO
CCC(C#N)(CC)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1	ZINC000528742462	562345324	/nfs/dbraw/zinc/34/53/24/562345324.db2.gz	MWHUZSKMOQBLDV-UHFFFAOYSA-N	1	1	356.470	2.272	20	30		FEEDMO
N#Cc1ccc(C2([NH2+]Cc3cc(=O)n4ccsc4n3)CCOCC2)cc1	ZINC000528777547	562347072	/nfs/dbraw/zinc/34/70/72/562347072.db2.gz	BKPUWOZXLIFLBL-UHFFFAOYSA-N	1	1	366.446	2.423	20	30		FEEDMO
COCc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1C#N	ZINC000529212074	562365087	/nfs/dbraw/zinc/36/50/87/562365087.db2.gz	MXDDYIHGNFSACV-MOPGFXCFSA-N	1	1	372.469	2.470	20	30		FEEDMO
N#Cc1ccc(CC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1	ZINC000529409821	562372836	/nfs/dbraw/zinc/37/28/36/562372836.db2.gz	UTJWSHAAMHGAAS-UXHICEINSA-N	1	1	360.461	2.476	20	30		FEEDMO
COCc1ccc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1C#N	ZINC000529815995	562386430	/nfs/dbraw/zinc/38/64/30/562386430.db2.gz	JNZPLGSHLHULSM-UHFFFAOYSA-N	1	1	367.453	2.289	20	30		FEEDMO
CC(C)CCO[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000530728050	562422068	/nfs/dbraw/zinc/42/20/68/562422068.db2.gz	NZQRBICQIDUPQW-MSOLQXFVSA-N	1	1	355.438	2.327	20	30		FEEDMO
CC(C)CCO[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000530728050	562422069	/nfs/dbraw/zinc/42/20/69/562422069.db2.gz	NZQRBICQIDUPQW-MSOLQXFVSA-N	1	1	355.438	2.327	20	30		FEEDMO
CC(C)(O)C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCOCC1	ZINC000531415940	562445101	/nfs/dbraw/zinc/44/51/01/562445101.db2.gz	IZKFSMSPEDUKJH-UHFFFAOYSA-N	1	1	356.426	2.360	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000532067624	562465810	/nfs/dbraw/zinc/46/58/10/562465810.db2.gz	QMKBURSUUXXMNR-KDOFPFPSSA-N	1	1	371.460	2.012	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]2COCC[C@H]21	ZINC000532646765	562484353	/nfs/dbraw/zinc/48/43/53/562484353.db2.gz	ROIDMQWQGANGIB-MAUKXSAKSA-N	1	1	365.437	2.183	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]2COCC[C@H]21	ZINC000532646765	562484354	/nfs/dbraw/zinc/48/43/54/562484354.db2.gz	ROIDMQWQGANGIB-MAUKXSAKSA-N	1	1	365.437	2.183	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2CCC[C@H]2O)cc1	ZINC000535118596	562551483	/nfs/dbraw/zinc/55/14/83/562551483.db2.gz	UYPCCNSSXKUPQE-QFBILLFUSA-N	1	1	359.470	2.425	20	30		FEEDMO
N#Cc1ccc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)s1	ZINC000536433241	562575464	/nfs/dbraw/zinc/57/54/64/562575464.db2.gz	MGQYKVHEPCIAMS-RDJZCZTQSA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1ccc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)s1	ZINC000536433241	562575465	/nfs/dbraw/zinc/57/54/65/562575465.db2.gz	MGQYKVHEPCIAMS-RDJZCZTQSA-N	1	1	355.463	2.233	20	30		FEEDMO
COc1cc(C[N@@H+](C)CCC(=O)N(C)CCC#N)ccc1OC(F)F	ZINC000536587365	562579824	/nfs/dbraw/zinc/57/98/24/562579824.db2.gz	ZAIPRSUULLOQIU-UHFFFAOYSA-N	1	1	355.385	2.491	20	30		FEEDMO
C[NH+]1CCC(CNC(=O)N2CCC(CC#N)CC2)(N2CCCCC2)CC1	ZINC000541038021	562600979	/nfs/dbraw/zinc/60/09/79/562600979.db2.gz	XLGJDNYNUUBSAI-UHFFFAOYSA-N	1	1	361.534	2.272	20	30		FEEDMO
N#Cc1cnn2cc(C[NH2+][C@H](CN3CCCC3=O)c3ccccc3)cnc12	ZINC000550156810	562643370	/nfs/dbraw/zinc/64/33/70/562643370.db2.gz	KSUXDBKYFCYCMA-GOSISDBHSA-N	1	1	360.421	2.054	20	30		FEEDMO
C=C(C)C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C(=O)OC	ZINC000601780684	567839506	/nfs/dbraw/zinc/83/95/06/567839506.db2.gz	BYYIJWFNYVKHOT-ZDUSSCGKSA-N	1	1	364.352	2.443	20	30		FEEDMO
N#CCC1(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1	ZINC000602149911	567937392	/nfs/dbraw/zinc/93/73/92/567937392.db2.gz	XWFYSQZVIBHKOL-WIYYLYMNSA-N	1	1	353.466	2.335	20	30		FEEDMO
N#CC1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CC2(CC2)C1	ZINC000602510718	567989230	/nfs/dbraw/zinc/98/92/30/567989230.db2.gz	MHOXBTLDZCDLDC-UHFFFAOYSA-N	1	1	352.482	2.180	20	30		FEEDMO
COc1ccc(C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@H](C)CCCO)cc1	ZINC000602966659	568024850	/nfs/dbraw/zinc/02/48/50/568024850.db2.gz	NBZLQYVACMDQHL-MRXNPFEDSA-N	1	1	359.470	2.221	20	30		FEEDMO
C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CCN(CC(F)(F)F)CC1	ZINC000568395004	568030492	/nfs/dbraw/zinc/03/04/92/568030492.db2.gz	KDHWKWUESYNWAV-UHFFFAOYSA-N	1	1	352.364	2.059	20	30		FEEDMO
N#Cc1ccc(OCCNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1	ZINC000822833654	599049392	/nfs/dbraw/zinc/04/93/92/599049392.db2.gz	UHQGAAUZHCCETI-UHFFFAOYSA-N	1	1	357.377	2.199	20	30		FEEDMO
N#CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)CC1	ZINC000826381142	609432398	/nfs/dbraw/zinc/43/23/98/609432398.db2.gz	ZBPHYLGUBWMREU-UHFFFAOYSA-N	1	1	359.821	2.084	20	30		FEEDMO
C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc(C(F)(F)F)c(C#N)n2)C1	ZINC000562741074	674800187	/nfs/dbraw/zinc/80/01/87/674800187.db2.gz	PEIBEDUMQLADAK-VIFPVBQESA-N	1	1	369.376	2.061	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc2ccc(Cl)nc2cc1F	ZINC000815082224	674914082	/nfs/dbraw/zinc/91/40/82/674914082.db2.gz	GMSXRYKWBLRDSA-UHFFFAOYSA-N	1	1	369.849	2.261	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1F	ZINC000564393625	675007873	/nfs/dbraw/zinc/00/78/73/675007873.db2.gz	QFNKXOFJLYHXMA-VIFPVBQESA-N	1	1	358.211	2.251	20	30		FEEDMO
N#Cc1csc(CNc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)n1	ZINC000564410727	675012011	/nfs/dbraw/zinc/01/20/11/675012011.db2.gz	CKYSNFAKGQSUDV-CQSZACIVSA-N	1	1	355.467	2.324	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3sc(C)nc3C)C[C@@H]2C1	ZINC001049069718	675022207	/nfs/dbraw/zinc/02/22/07/675022207.db2.gz	NFWMCPUHCCBOJW-TWMKSMIVSA-N	1	1	361.511	2.241	20	30		FEEDMO
C=C(Br)CNC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C	ZINC000115811547	670899819	/nfs/dbraw/zinc/89/98/19/670899819.db2.gz	GYMMZULVWUOCPZ-OCCSQVGLSA-N	1	1	362.312	2.331	20	30		FEEDMO
N#Cc1csc(C[NH2+]C[C@H](O)COc2ccccc2Br)n1	ZINC000572923691	671059981	/nfs/dbraw/zinc/05/99/81/671059981.db2.gz	KBYAJTLULMGKQH-NSHDSACASA-N	1	1	368.256	2.307	20	30		FEEDMO
CC(C)[C@H]1[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC12CCOCC2	ZINC000575231121	671306509	/nfs/dbraw/zinc/30/65/09/671306509.db2.gz	PLRNUXVPTSAAGW-GOSISDBHSA-N	1	1	362.495	2.469	20	30		FEEDMO
CC(C)[C@H]1[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC12CCOCC2	ZINC000575231121	671306513	/nfs/dbraw/zinc/30/65/13/671306513.db2.gz	PLRNUXVPTSAAGW-GOSISDBHSA-N	1	1	362.495	2.469	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H]1CC=CCC1	ZINC000575781801	671320388	/nfs/dbraw/zinc/32/03/88/671320388.db2.gz	NDWFPFCDODHUNH-MRXNPFEDSA-N	1	1	363.483	2.032	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H]1CC=CCC1	ZINC000575781801	671320393	/nfs/dbraw/zinc/32/03/93/671320393.db2.gz	NDWFPFCDODHUNH-MRXNPFEDSA-N	1	1	363.483	2.032	20	30		FEEDMO
CC[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)[N@H+]1CCc2ccccc2C1	ZINC000582454070	672002882	/nfs/dbraw/zinc/00/28/82/672002882.db2.gz	LQQKPGPJFNBGCS-SFHVURJKSA-N	1	1	361.511	2.437	20	30		FEEDMO
O=C(C#Cc1ccc2c(c1)OCO2)NCC[N@@H+]1CCc2sccc2C1	ZINC000136202339	672137889	/nfs/dbraw/zinc/13/78/89/672137889.db2.gz	UJWLORFXCDHCJG-UHFFFAOYSA-N	1	1	354.431	2.003	20	30		FEEDMO
O=C(C#Cc1ccc2c(c1)OCO2)NCC[N@H+]1CCc2sccc2C1	ZINC000136202339	672137890	/nfs/dbraw/zinc/13/78/90/672137890.db2.gz	UJWLORFXCDHCJG-UHFFFAOYSA-N	1	1	354.431	2.003	20	30		FEEDMO
C=CCCOCCCCC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000678840920	672447530	/nfs/dbraw/zinc/44/75/30/672447530.db2.gz	KNKAYUMKNUHTAN-IBGZPJMESA-N	1	1	351.535	2.376	20	30		FEEDMO
C=CCCOCCCCC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000678840920	672447531	/nfs/dbraw/zinc/44/75/31/672447531.db2.gz	KNKAYUMKNUHTAN-IBGZPJMESA-N	1	1	351.535	2.376	20	30		FEEDMO
N#CCCN1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1	ZINC000611173824	676022774	/nfs/dbraw/zinc/02/27/74/676022774.db2.gz	MJZUFUVYITXMJS-ZDUSSCGKSA-N	1	1	358.269	2.264	20	30		FEEDMO
Cc1sc(NC(=O)C[NH2+][C@](C)(CO)c2cccc(O)c2)c(C#N)c1C	ZINC000589163290	672511018	/nfs/dbraw/zinc/51/10/18/672511018.db2.gz	MQADTTJHYFEXFW-GOSISDBHSA-N	1	1	359.451	2.378	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1	ZINC000589309741	672521399	/nfs/dbraw/zinc/52/13/99/672521399.db2.gz	FQAVLTFGLLFRPS-IAGOWNOFSA-N	1	1	360.845	2.289	20	30		FEEDMO
N#Cc1cccc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)n1	ZINC000589461291	672527181	/nfs/dbraw/zinc/52/71/81/672527181.db2.gz	WSXSQVUXBWSQSM-KRWDZBQOSA-N	1	1	352.463	2.301	20	30		FEEDMO
N#Cc1cccc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)n1	ZINC000589461291	672527184	/nfs/dbraw/zinc/52/71/84/672527184.db2.gz	WSXSQVUXBWSQSM-KRWDZBQOSA-N	1	1	352.463	2.301	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CC(N)=NOCC(=O)N1CCC[C@@H]2CCCC[C@H]21	ZINC000245471478	672819268	/nfs/dbraw/zinc/81/92/68/672819268.db2.gz	OAYZCUVZKQHLSG-IXDOHACOSA-N	1	1	350.507	2.331	20	30		FEEDMO
C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)Cc1ccc(Br)cc1C#N	ZINC000593109124	672877526	/nfs/dbraw/zinc/87/75/26/672877526.db2.gz	IGIOPJITKVRVML-TXEJJXNPSA-N	1	1	350.260	2.414	20	30		FEEDMO
C[N@H+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C(C)(C)C1	ZINC000593112779	672878158	/nfs/dbraw/zinc/87/81/58/672878158.db2.gz	UZTUTYQINIJOOG-UHFFFAOYSA-N	1	1	350.260	2.416	20	30		FEEDMO
Cc1ccc(CNS(=O)(=O)c2ccsc2C#N)c(N2CCCC2)[nH+]1	ZINC000593575451	672948508	/nfs/dbraw/zinc/94/85/08/672948508.db2.gz	IKWBSESMFVCUIY-UHFFFAOYSA-N	1	1	362.480	2.402	20	30		FEEDMO
COc1ccc(CCNC(=[NH2+])NC[C@H](CC(C)C)N(C)C)cc1OC	ZINC000303774825	673017641	/nfs/dbraw/zinc/01/76/41/673017641.db2.gz	GEQZEFZXAYODRS-INIZCTEOSA-N	1	1	350.507	2.127	20	30		FEEDMO
CC[C@H](CC#N)[NH2+]CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	ZINC000594009482	673020153	/nfs/dbraw/zinc/02/01/53/673020153.db2.gz	VBURDJNCXRGDRO-CQSZACIVSA-N	1	1	366.868	2.405	20	30		FEEDMO
CC(C)CNC(=[NH2+])NCCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000304758963	673020636	/nfs/dbraw/zinc/02/06/36/673020636.db2.gz	QSBIZCLAGTYWJB-UHFFFAOYSA-N	1	1	351.926	2.412	20	30		FEEDMO
CN(C)C(=[NH+]CCCN1CCN(c2cccc(Cl)c2)CC1)N(C)C	ZINC000304765083	673020717	/nfs/dbraw/zinc/02/07/17/673020717.db2.gz	YURGEVBEEPONEK-UHFFFAOYSA-N	1	1	351.926	2.331	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1Cl	ZINC000594325123	673058536	/nfs/dbraw/zinc/05/85/36/673058536.db2.gz	BGXIHOCSKAIWIJ-HZPDHXFCSA-N	1	1	360.845	2.283	20	30		FEEDMO
Cc1nc([C@H](C)NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)cs1	ZINC000329332009	673075730	/nfs/dbraw/zinc/07/57/30/673075730.db2.gz	MSPNRGAIYVFUFH-ZDUSSCGKSA-N	1	1	362.503	2.368	20	30		FEEDMO
Cc1nc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)cs1	ZINC000329332009	673075733	/nfs/dbraw/zinc/07/57/33/673075733.db2.gz	MSPNRGAIYVFUFH-ZDUSSCGKSA-N	1	1	362.503	2.368	20	30		FEEDMO
COc1cc2nc(C)sc2cc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C	ZINC000329370885	673076281	/nfs/dbraw/zinc/07/62/81/673076281.db2.gz	AUPVIFBWGBOIAP-LBPRGKRZSA-N	1	1	363.487	2.185	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000725809207	673091832	/nfs/dbraw/zinc/09/18/32/673091832.db2.gz	IUJWINKNWSZSMR-HOTGVXAUSA-N	1	1	351.491	2.422	20	30		FEEDMO
C[N@H+]1CCCN(CCNC(=S)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000726477795	673125593	/nfs/dbraw/zinc/12/55/93/673125593.db2.gz	WVIPZTFBPZUAAI-UHFFFAOYSA-N	1	1	351.907	2.136	20	30		FEEDMO
CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000371906728	673150455	/nfs/dbraw/zinc/15/04/55/673150455.db2.gz	BJGCNRXCPQWYHH-NEWSRXKRSA-N	1	1	361.511	2.430	20	30		FEEDMO
CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000371906728	673150457	/nfs/dbraw/zinc/15/04/57/673150457.db2.gz	BJGCNRXCPQWYHH-NEWSRXKRSA-N	1	1	361.511	2.430	20	30		FEEDMO
N#Cc1csc(C[NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)n1	ZINC000594987238	673183392	/nfs/dbraw/zinc/18/33/92/673183392.db2.gz	JAVWKEVHTYWODE-UHFFFAOYSA-N	1	1	353.495	2.459	20	30		FEEDMO
CCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@@H]1CC[N@@H+](C)C1	ZINC000595104753	673193454	/nfs/dbraw/zinc/19/34/54/673193454.db2.gz	TXQHLPSSDZCZMK-CQSZACIVSA-N	1	1	360.483	2.183	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1	ZINC000595194491	673207888	/nfs/dbraw/zinc/20/78/88/673207888.db2.gz	NUWOZMUEYRDSCH-GFCCVEGCSA-N	1	1	362.499	2.456	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1F	ZINC000595411447	673246000	/nfs/dbraw/zinc/24/60/00/673246000.db2.gz	QBGXDQISGAEECR-AWEZNQCLSA-N	1	1	351.447	2.098	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000595452951	673252577	/nfs/dbraw/zinc/25/25/77/673252577.db2.gz	CFYWZKPKAVCGPH-HNNXBMFYSA-N	1	1	361.515	2.183	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595498111	673258416	/nfs/dbraw/zinc/25/84/16/673258416.db2.gz	BMNGHZRYTBKLEU-HNNXBMFYSA-N	1	1	361.515	2.326	20	30		FEEDMO
N#Cc1cc(Br)ccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1	ZINC000595864698	673331631	/nfs/dbraw/zinc/33/16/31/673331631.db2.gz	VZVOIEMWDUDBKF-KRWDZBQOSA-N	1	1	364.287	2.352	20	30		FEEDMO
C[NH+](C)CCOc1ccc(C=NNc2ccccc2S(C)(=O)=O)cc1	ZINC000731933559	673348624	/nfs/dbraw/zinc/34/86/24/673348624.db2.gz	ONZQXBPWEVZUMN-UHFFFAOYSA-N	1	1	361.467	2.477	20	30		FEEDMO
CC(C)(C)OC(=O)CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CCOCC1	ZINC000598624420	673591978	/nfs/dbraw/zinc/59/19/78/673591978.db2.gz	HCJSJEZAMBHEHQ-INIZCTEOSA-N	1	1	354.491	2.500	20	30		FEEDMO
C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc(F)c2C#N)C1	ZINC000739672669	673634293	/nfs/dbraw/zinc/63/42/93/673634293.db2.gz	ZBDWGHACZSPKJO-CQSZACIVSA-N	1	1	359.426	2.379	20	30		FEEDMO
C[N@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H](O)COc1ccccc1C#N	ZINC000599309343	673656832	/nfs/dbraw/zinc/65/68/32/673656832.db2.gz	WJOBWNJPGJBFCN-NSYGIPOTSA-N	1	1	358.463	2.167	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599343732	673662105	/nfs/dbraw/zinc/66/21/05/673662105.db2.gz	TVJDDRQTEXNJNI-HZPDHXFCSA-N	1	1	352.475	2.254	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599343732	673662106	/nfs/dbraw/zinc/66/21/06/673662106.db2.gz	TVJDDRQTEXNJNI-HZPDHXFCSA-N	1	1	352.475	2.254	20	30		FEEDMO
C[C@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(=O)N(C)CCC#N	ZINC000599545432	673690082	/nfs/dbraw/zinc/69/00/82/673690082.db2.gz	RKEQTWMLFDTHHL-NJZAAPMLSA-N	1	1	355.360	2.271	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O	ZINC000599631995	673700082	/nfs/dbraw/zinc/70/00/82/673700082.db2.gz	NZXOEXNBMHWLEN-QILYDZGSSA-N	1	1	359.495	2.307	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O	ZINC000599631995	673700085	/nfs/dbraw/zinc/70/00/85/673700085.db2.gz	NZXOEXNBMHWLEN-QILYDZGSSA-N	1	1	359.495	2.307	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)ccc1Cl	ZINC000599643698	673701458	/nfs/dbraw/zinc/70/14/58/673701458.db2.gz	DUNIMHPDTZJUHK-OTVXOJSOSA-N	1	1	362.861	2.091	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Oc1ccc(Br)cc1	ZINC000742874922	673740529	/nfs/dbraw/zinc/74/05/29/673740529.db2.gz	BSYXRGJNTGMDFI-CJNGLKHVSA-N	1	1	365.271	2.430	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Oc1ccc(Br)cc1	ZINC000742874922	673740533	/nfs/dbraw/zinc/74/05/33/673740533.db2.gz	BSYXRGJNTGMDFI-CJNGLKHVSA-N	1	1	365.271	2.430	20	30		FEEDMO
Cc1cc(C)c(CS(=O)(=O)CC(=O)Nc2cccc(C#N)c2)c(C)[nH+]1	ZINC000600941383	673812294	/nfs/dbraw/zinc/81/22/94/673812294.db2.gz	BQITWXHPMPOJRV-UHFFFAOYSA-N	1	1	357.435	2.432	20	30		FEEDMO
CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[NH+]1CCCCC1	ZINC000745084149	673824707	/nfs/dbraw/zinc/82/47/07/673824707.db2.gz	RFBMYWGYECOQTJ-BXWFABGCSA-N	1	1	351.491	2.483	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)[C@H](C)C1	ZINC000601357017	673847628	/nfs/dbraw/zinc/84/76/28/673847628.db2.gz	YGJLMWQUTYQBDV-CZUORRHYSA-N	1	1	353.463	2.357	20	30		FEEDMO
CC(C)[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000566393758	675210294	/nfs/dbraw/zinc/21/02/94/675210294.db2.gz	GAIWQELXBMEKRD-IAGOWNOFSA-N	1	1	360.527	2.435	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000818593271	675226746	/nfs/dbraw/zinc/22/67/46/675226746.db2.gz	SJCAXAOOVCFBPT-LBPRGKRZSA-N	1	1	353.806	2.087	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1	ZINC000818599559	675227450	/nfs/dbraw/zinc/22/74/50/675227450.db2.gz	XQWWXOMRZFZIQM-UHFFFAOYSA-N	1	1	351.491	2.143	20	30		FEEDMO
C#CC[N@H+](Cc1ccc(F)cc1)C[C@H](O)CN(C)C(=O)OC(C)(C)C	ZINC000822588900	675493810	/nfs/dbraw/zinc/49/38/10/675493810.db2.gz	ZEBBFTYIRQWIIX-QGZVFWFLSA-N	1	1	350.434	2.489	20	30		FEEDMO
C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)CN(C)C(=O)OC(C)(C)C	ZINC000822588900	675493813	/nfs/dbraw/zinc/49/38/13/675493813.db2.gz	ZEBBFTYIRQWIIX-QGZVFWFLSA-N	1	1	350.434	2.489	20	30		FEEDMO
C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000827095713	675728713	/nfs/dbraw/zinc/72/87/13/675728713.db2.gz	LENJSUNHFBOYHZ-XJKSGUPXSA-N	1	1	350.846	2.165	20	30		FEEDMO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H](C)S(C)(=O)=O	ZINC000828868156	675849677	/nfs/dbraw/zinc/84/96/77/675849677.db2.gz	JXRKRZMLESNEOC-CQSZACIVSA-N	1	1	372.560	2.018	20	30		FEEDMO
N#C[C@]1(F)CCN(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1	ZINC000617529112	676290930	/nfs/dbraw/zinc/29/09/30/676290930.db2.gz	WKAHVWGRPCHSIQ-FUHWJXTLSA-N	1	1	362.474	2.251	20	30		FEEDMO
N#C[C@]1(F)CCN(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1	ZINC000617529112	676290931	/nfs/dbraw/zinc/29/09/31/676290931.db2.gz	WKAHVWGRPCHSIQ-FUHWJXTLSA-N	1	1	362.474	2.251	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)NCc2ccc(C#N)c(Cl)c2)CC1(C)C	ZINC000619761280	676393766	/nfs/dbraw/zinc/39/37/66/676393766.db2.gz	DKMSBBHAJMOOOW-UHFFFAOYSA-N	1	1	363.893	2.037	20	30		FEEDMO
C#CCO[C@@H](C)C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1	ZINC000830253207	677032296	/nfs/dbraw/zinc/03/22/96/677032296.db2.gz	PTSVGLMCPBBCPR-ZDUSSCGKSA-N	1	1	358.467	2.025	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1	ZINC000830504571	677043580	/nfs/dbraw/zinc/04/35/80/677043580.db2.gz	VBKHURAWQZSWKZ-HUUCEWRRSA-N	1	1	365.499	2.424	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1	ZINC000830504571	677043582	/nfs/dbraw/zinc/04/35/82/677043582.db2.gz	VBKHURAWQZSWKZ-HUUCEWRRSA-N	1	1	365.499	2.424	20	30		FEEDMO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCCOc2ccc(C#N)cc2)C1	ZINC000830675562	677054289	/nfs/dbraw/zinc/05/42/89/677054289.db2.gz	YCEHKSZLIFTPEH-MRXNPFEDSA-N	1	1	355.360	2.328	20	30		FEEDMO
C=CC[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1	ZINC000639349232	677158614	/nfs/dbraw/zinc/15/86/14/677158614.db2.gz	WMWCDHIFEVWROJ-LLVKDONJSA-N	1	1	359.289	2.495	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)C1=O	ZINC000639776673	677166308	/nfs/dbraw/zinc/16/63/08/677166308.db2.gz	ORMGKULMOIKTCP-DZGCQCFKSA-N	1	1	366.259	2.084	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)C1=O	ZINC000639776673	677166309	/nfs/dbraw/zinc/16/63/09/677166309.db2.gz	ORMGKULMOIKTCP-DZGCQCFKSA-N	1	1	366.259	2.084	20	30		FEEDMO
C=CCn1c([C@@H]2CCCS2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1	ZINC000643721895	677229791	/nfs/dbraw/zinc/22/97/91/677229791.db2.gz	MIMVCAPGWSLORH-CVEARBPZSA-N	1	1	363.531	2.333	20	30		FEEDMO
C=C(C)[C@@H](CO)N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1	ZINC000649223165	677327910	/nfs/dbraw/zinc/32/79/10/677327910.db2.gz	ZFBWNKSLKBIQFF-OAHLLOKOSA-N	1	1	362.499	2.285	20	30		FEEDMO
COc1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c(Br)c1O	ZINC000761013207	680707505	/nfs/dbraw/zinc/70/75/05/680707505.db2.gz	QFZUROUQUHNRMB-PHIMTYICSA-N	1	1	367.247	2.357	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1	ZINC000839609066	680765867	/nfs/dbraw/zinc/76/58/67/680765867.db2.gz	CDKOZGLQVGCWGV-HRCADAONSA-N	1	1	351.491	2.256	20	30		FEEDMO
C=CCN1CC[C@H]([NH+]2CCN(c3ccc(Br)cc3)CC2)C1=O	ZINC000661575792	678505291	/nfs/dbraw/zinc/50/52/91/678505291.db2.gz	BTEGFGWJVYIWKJ-INIZCTEOSA-N	1	1	364.287	2.358	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)C1=O	ZINC000840029915	680794151	/nfs/dbraw/zinc/79/41/51/680794151.db2.gz	HLRQQCHWWKWFPC-LSDHHAIUSA-N	1	1	352.479	2.103	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)C1=O	ZINC000840065870	680795716	/nfs/dbraw/zinc/79/57/16/680795716.db2.gz	TVFJNJSHJRLUAM-SFHVURJKSA-N	1	1	352.479	2.104	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)C1=O	ZINC000840065870	680795720	/nfs/dbraw/zinc/79/57/20/680795720.db2.gz	TVFJNJSHJRLUAM-SFHVURJKSA-N	1	1	352.479	2.104	20	30		FEEDMO
C=CCn1c(C)nn(C[N@@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c1=S	ZINC000840178844	680804935	/nfs/dbraw/zinc/80/49/35/680804935.db2.gz	WTCPQRUZSFAYID-CVEARBPZSA-N	1	1	357.483	2.067	20	30		FEEDMO
C=CCn1c(C)nn(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c1=S	ZINC000840178844	680804936	/nfs/dbraw/zinc/80/49/36/680804936.db2.gz	WTCPQRUZSFAYID-CVEARBPZSA-N	1	1	357.483	2.067	20	30		FEEDMO
CN(C)c1[nH+]cc(/C=C/C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1C	ZINC000840715826	680839474	/nfs/dbraw/zinc/83/94/74/680839474.db2.gz	DXGAPQHZPSFXSY-RMKNXTFCSA-N	1	1	369.393	2.379	20	30		FEEDMO
C=C(Br)CN1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12	ZINC000990759558	680072359	/nfs/dbraw/zinc/07/23/59/680072359.db2.gz	CZPZSRWGSGIYKN-AIANPOQGSA-N	1	1	370.335	2.348	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(Cl)n2C)C1	ZINC001019488177	680094632	/nfs/dbraw/zinc/09/46/32/680094632.db2.gz	VAXGSJZFMNNZAP-ZQIUZPCESA-N	1	1	366.893	2.135	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1	ZINC000992942279	680138154	/nfs/dbraw/zinc/13/81/54/680138154.db2.gz	NNOUPOYDLKZYPT-ZRGWGRIASA-N	1	1	367.921	2.024	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](CC[C@H]2CCCCO2)CC1	ZINC000981185736	680219124	/nfs/dbraw/zinc/21/91/24/680219124.db2.gz	DEENCSOTJXISRD-QRVBRYPASA-N	1	1	350.503	2.461	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC1N=Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1	ZINC000752165236	680226173	/nfs/dbraw/zinc/22/61/73/680226173.db2.gz	HLLFWCDPRAMTCC-SNVBAGLBSA-N	1	1	350.348	2.329	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2nnc(C)s2)C1	ZINC001022843156	680242011	/nfs/dbraw/zinc/24/20/11/680242011.db2.gz	XZAYKZZLDFLSPR-DJIJKHNZSA-N	1	1	350.488	2.126	20	30		FEEDMO
CCS(=O)(=O)Nc1ccc(C(C)=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc1	ZINC000753941650	680325570	/nfs/dbraw/zinc/32/55/70/680325570.db2.gz	ZVKBOSHPSYZAEM-HZPDHXFCSA-N	1	1	363.487	2.032	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1	ZINC000997311436	680351831	/nfs/dbraw/zinc/35/18/31/680351831.db2.gz	QMVNDSCMSPOGKS-FVQBIDKESA-N	1	1	350.894	2.493	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(Cl)c1	ZINC000754412282	680354699	/nfs/dbraw/zinc/35/46/99/680354699.db2.gz	MGEXWLZYRKJXIP-NEPJUHHUSA-N	1	1	354.237	2.458	20	30		FEEDMO
C=C(Br)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC	ZINC001027892948	680363745	/nfs/dbraw/zinc/36/37/45/680363745.db2.gz	IFHLBFMOVGGRQR-QLFBSQMISA-N	1	1	358.324	2.206	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1	ZINC000998005089	680371216	/nfs/dbraw/zinc/37/12/16/680371216.db2.gz	FVYDRQDXPFLNCX-VNQPRFMTSA-N	1	1	355.910	2.357	20	30		FEEDMO
C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC000998065853	680374177	/nfs/dbraw/zinc/37/41/77/680374177.db2.gz	IRCSJNGAKMEDSP-ZSYWTGECSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1	ZINC001028808904	680383474	/nfs/dbraw/zinc/38/34/74/680383474.db2.gz	HBRQBBKKOBLUOK-DAYGRLMNSA-N	1	1	350.409	2.494	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cc(OC)ns2)C1	ZINC001028863941	680385845	/nfs/dbraw/zinc/38/58/45/680385845.db2.gz	HCUCHJVSVZRIMH-KMFMINBZSA-N	1	1	365.499	2.071	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cccc(S(N)(=O)=O)c2C#N)C1	ZINC000754975356	680391038	/nfs/dbraw/zinc/39/10/38/680391038.db2.gz	DYNPCICIUVKMPZ-QLFBSQMISA-N	1	1	362.499	2.047	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nc(C(C)C)ns2)C1	ZINC000999432907	680403576	/nfs/dbraw/zinc/40/35/76/680403576.db2.gz	YZADMHIRRNBPKU-CVSAEHQPSA-N	1	1	364.515	2.332	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](OC)C2CCCC2)C1	ZINC001031077279	680404376	/nfs/dbraw/zinc/40/43/76/680404376.db2.gz	LVQUPUSNNIHXOT-OTWHNJEPSA-N	1	1	350.503	2.363	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ncc(Cl)s1	ZINC001035057337	680443100	/nfs/dbraw/zinc/44/31/00/680443100.db2.gz	OIACNCLECKPGKA-UPJWGTAASA-N	1	1	355.891	2.468	20	30		FEEDMO
C=C(Br)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2	ZINC001035709855	680451371	/nfs/dbraw/zinc/45/13/71/680451371.db2.gz	FFSVVMXXQAKWDF-HUUCEWRRSA-N	1	1	370.335	2.160	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CC#Cc2ccc(Cl)cc2)CC[N@H+]1C	ZINC001038266127	680454810	/nfs/dbraw/zinc/45/48/10/680454810.db2.gz	PJOVNVWCBRTNPR-ATZDWAIDSA-N	1	1	359.901	2.222	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1	ZINC000836376669	680459899	/nfs/dbraw/zinc/45/98/99/680459899.db2.gz	INTGIFBTYDIANM-ROUUACIJSA-N	1	1	362.905	2.340	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2csnc2OC)CC1	ZINC000985659772	680467325	/nfs/dbraw/zinc/46/73/25/680467325.db2.gz	AVIRJPLQVXMRDW-CVEARBPZSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2csnc2OC)CC1	ZINC000985659772	680467327	/nfs/dbraw/zinc/46/73/27/680467327.db2.gz	AVIRJPLQVXMRDW-CVEARBPZSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](C)OC	ZINC001039941445	680467990	/nfs/dbraw/zinc/46/79/90/680467990.db2.gz	SAZIGLMKVXJSAM-OYSTVDSJSA-N	1	1	350.503	2.458	20	30		FEEDMO
C#C[C@@H](NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)c1ccc(Br)cc1	ZINC000836519596	680479569	/nfs/dbraw/zinc/47/95/69/680479569.db2.gz	OIRZZOOBFMUPQW-BMFZPTHFSA-N	1	1	362.271	2.469	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)CC1	ZINC001003055335	680519549	/nfs/dbraw/zinc/51/95/49/680519549.db2.gz	FUCAEPXEHNPPJF-HZPDHXFCSA-N	1	1	366.893	2.221	20	30		FEEDMO
C[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C	ZINC001042511115	680533176	/nfs/dbraw/zinc/53/31/76/680533176.db2.gz	UCUHYINOFUXUPE-NTZNESFSSA-N	1	1	367.906	2.093	20	30		FEEDMO
C[C@@H]1CN(c2ncc(C#N)cc2Cl)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C	ZINC001042633453	680537137	/nfs/dbraw/zinc/53/71/37/680537137.db2.gz	FGICLCZJPYRFBX-DAXOMENPSA-N	1	1	361.877	2.032	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2	ZINC001004209147	680552935	/nfs/dbraw/zinc/55/29/35/680552935.db2.gz	BJXUQSDNVKWRPH-KFWWJZLASA-N	1	1	364.877	2.218	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1Nc1nc(Cl)c(C#N)s1	ZINC001043565789	680588076	/nfs/dbraw/zinc/58/80/76/680588076.db2.gz	ZGPOEANFMUFXGK-DDHJBXDOSA-N	1	1	367.906	2.267	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1ccccc1Cl)N(C)C	ZINC000837360061	680592133	/nfs/dbraw/zinc/59/21/33/680592133.db2.gz	JUKKDKUOAYJUKI-QGZVFWFLSA-N	1	1	350.894	2.197	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2snnc2C)CC1	ZINC001045443180	680629891	/nfs/dbraw/zinc/62/98/91/680629891.db2.gz	YUJSTGOHUNEONW-CABCVRRESA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1OCCO[C@H]1C)C2	ZINC001045945530	680642024	/nfs/dbraw/zinc/64/20/24/680642024.db2.gz	UZWVGDNKMIHDOZ-BQFCYCMXSA-N	1	1	356.894	2.247	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCC2CCOCC2)C1	ZINC001046325688	680645794	/nfs/dbraw/zinc/64/57/94/680645794.db2.gz	AAVBLJIESBWGER-WSTZPKSXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C[C@@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@H+](CC#Cc2cccc(Cl)c2)C1	ZINC001046334045	680647746	/nfs/dbraw/zinc/64/77/46/680647746.db2.gz	ZOEFUYPGGGKJHB-DBVUQKKJSA-N	1	1	358.869	2.309	20	30		FEEDMO
C[C@@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1	ZINC001046334045	680647748	/nfs/dbraw/zinc/64/77/48/680647748.db2.gz	ZOEFUYPGGGKJHB-DBVUQKKJSA-N	1	1	358.869	2.309	20	30		FEEDMO
C[C@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@H+](CC#Cc2cccc(Cl)c2)C1	ZINC001046334046	680647799	/nfs/dbraw/zinc/64/77/99/680647799.db2.gz	ZOEFUYPGGGKJHB-VDGAXYAQSA-N	1	1	358.869	2.309	20	30		FEEDMO
C[C@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1	ZINC001046334046	680647801	/nfs/dbraw/zinc/64/78/01/680647801.db2.gz	ZOEFUYPGGGKJHB-VDGAXYAQSA-N	1	1	358.869	2.309	20	30		FEEDMO
C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1	ZINC001046974062	680655004	/nfs/dbraw/zinc/65/50/04/680655004.db2.gz	DCKAJWQLTUBPES-RBSFLKMASA-N	1	1	352.429	2.173	20	30		FEEDMO
C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2ncc(C#N)cc2Cl)C1	ZINC001047217338	680658610	/nfs/dbraw/zinc/65/86/10/680658610.db2.gz	PGDGAEMKHYLWRP-BJJXKVORSA-N	1	1	361.877	2.398	20	30		FEEDMO
C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)C1	ZINC001047310630	680660326	/nfs/dbraw/zinc/66/03/26/680660326.db2.gz	WDZQZZUFAKTMBB-SDDRHHMPSA-N	1	1	367.906	2.317	20	30		FEEDMO
C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1	ZINC001047501508	680664581	/nfs/dbraw/zinc/66/45/81/680664581.db2.gz	DZIRXMHRVWBKRP-MQYQWHSLSA-N	1	1	352.887	2.032	20	30		FEEDMO
C=C[C@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C(=O)OCC	ZINC000842980876	680980052	/nfs/dbraw/zinc/98/00/52/680980052.db2.gz	PTDOMLMYYCURFS-LBPRGKRZSA-N	1	1	351.309	2.479	20	30		FEEDMO
C#CCC[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)CC1	ZINC000771377550	681053168	/nfs/dbraw/zinc/05/31/68/681053168.db2.gz	IMAOPOOTDPGXAW-UHFFFAOYSA-N	1	1	362.495	2.086	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2cc(F)ccc2Br)CC1	ZINC000771400114	681054346	/nfs/dbraw/zinc/05/43/46/681054346.db2.gz	GNFNUIYAHIRXNA-UHFFFAOYSA-N	1	1	353.235	2.298	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(c2nc(Cl)c(C#N)s2)[C@@H]1C	ZINC001051027198	681060669	/nfs/dbraw/zinc/06/06/69/681060669.db2.gz	NUJPOJXTDUCCIH-UTUOFQBUSA-N	1	1	367.906	2.236	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3snc(Cl)c3C#N)[C@@H]2C)CC[N@H+]1C	ZINC001051146162	681064101	/nfs/dbraw/zinc/06/41/01/681064101.db2.gz	WNGZDNJEEKPGNB-UZWSLXQKSA-N	1	1	367.906	2.092	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CCOCC2)CC1	ZINC001052723112	681084471	/nfs/dbraw/zinc/08/44/71/681084471.db2.gz	QCXDLNREUCDPOB-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)c3snc(C)c3C#N)C2)CC[N@H+]1C	ZINC001057052496	681158421	/nfs/dbraw/zinc/15/84/21/681158421.db2.gz	HVQGKAIBXAYQJS-OFQRWUPVSA-N	1	1	361.515	2.091	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC2CCN(c3nc(Cl)c(C#N)s3)CC2)CC[N@H+]1C	ZINC001057964868	681166293	/nfs/dbraw/zinc/16/62/93/681166293.db2.gz	MEJFAHGPZSPYPY-ZYHUDNBSSA-N	1	1	367.906	2.093	20	30		FEEDMO
Cc1nsc(NC[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1C#N	ZINC001060317315	681199946	/nfs/dbraw/zinc/19/99/46/681199946.db2.gz	AMVFKKDVSGZMFI-QLFBSQMISA-N	1	1	361.515	2.456	20	30		FEEDMO
C[N@@H+]1C[C@H]2CN(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)C[C@H]2C1	ZINC000932236110	681202722	/nfs/dbraw/zinc/20/27/22/681202722.db2.gz	ZROYMAMWVUQETR-QLFBSQMISA-N	1	1	352.360	2.365	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCOc2ccc(Br)cc21	ZINC000846228283	681204951	/nfs/dbraw/zinc/20/49/51/681204951.db2.gz	LWTCHFBFJIBDAM-CQSZACIVSA-N	1	1	365.271	2.387	20	30		FEEDMO
N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)cc1	ZINC000932953597	681335855	/nfs/dbraw/zinc/33/58/55/681335855.db2.gz	YDPNKLYAYYGSLC-INIZCTEOSA-N	1	1	355.463	2.336	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@H]1CCCO1	ZINC000775799545	681336225	/nfs/dbraw/zinc/33/62/25/681336225.db2.gz	NRLNYCCAIBBTDU-GXTWGEPZSA-N	1	1	355.207	2.297	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1C)[C@H]1CCCO1	ZINC000775804548	681336634	/nfs/dbraw/zinc/33/66/34/681336634.db2.gz	ANPSTKOQPNZCHZ-DZGCQCFKSA-N	1	1	351.244	2.466	20	30		FEEDMO
N#Cc1cc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)ccc1F	ZINC000933094016	681362140	/nfs/dbraw/zinc/36/21/40/681362140.db2.gz	WNJWXZCXUXOWSI-UHFFFAOYSA-N	1	1	365.474	2.477	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1	ZINC000933445581	681414057	/nfs/dbraw/zinc/41/40/57/681414057.db2.gz	QIBQEFDVYPUKDW-WBVHZDCISA-N	1	1	362.495	2.038	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1	ZINC000933445581	681414060	/nfs/dbraw/zinc/41/40/60/681414060.db2.gz	QIBQEFDVYPUKDW-WBVHZDCISA-N	1	1	362.495	2.038	20	30		FEEDMO
CC(C)(C#N)CS(=O)(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000777820188	681534126	/nfs/dbraw/zinc/53/41/26/681534126.db2.gz	YWPIUCOMHQVVOK-UHFFFAOYSA-N	1	1	353.463	2.259	20	30		FEEDMO
C=C(Br)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@]23C[C@H]2COC3)CC1	ZINC000948393170	681578102	/nfs/dbraw/zinc/57/81/02/681578102.db2.gz	RJJXARHOVFLCCR-LZWOXQAQSA-N	1	1	357.292	2.244	20	30		FEEDMO
C=C(Br)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@]23C[C@H]2COC3)CC1	ZINC000948393170	681578108	/nfs/dbraw/zinc/57/81/08/681578108.db2.gz	RJJXARHOVFLCCR-LZWOXQAQSA-N	1	1	357.292	2.244	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](O)[C@@H](F)C2)sc2c1CCCC2	ZINC000934580988	681596504	/nfs/dbraw/zinc/59/65/04/681596504.db2.gz	HPAFXZPAARNJGY-UONOGXRCSA-N	1	1	351.447	2.232	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](O)[C@@H](F)C2)sc2c1CCCC2	ZINC000934580988	681596506	/nfs/dbraw/zinc/59/65/06/681596506.db2.gz	HPAFXZPAARNJGY-UONOGXRCSA-N	1	1	351.447	2.232	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2snnc2C)CC1	ZINC000948785502	681598325	/nfs/dbraw/zinc/59/83/25/681598325.db2.gz	LIKBJXORDNYBPZ-XHSDSOJGSA-N	1	1	364.515	2.251	20	30		FEEDMO
CCC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccccc1F	ZINC000778537734	681621534	/nfs/dbraw/zinc/62/15/34/681621534.db2.gz	AAEIKRYBUAGGJH-UHFFFAOYSA-N	1	1	352.479	2.126	20	30		FEEDMO
C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1	ZINC000949369958	681635511	/nfs/dbraw/zinc/63/55/11/681635511.db2.gz	INFYRKFYFDEUON-ROUUACIJSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(Br)cc1OC	ZINC000779065763	681676403	/nfs/dbraw/zinc/67/64/03/681676403.db2.gz	PAFPVTZQSCPFEX-AWEZNQCLSA-N	1	1	351.244	2.172	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(Br)cc1OC	ZINC000779065763	681676404	/nfs/dbraw/zinc/67/64/04/681676404.db2.gz	PAFPVTZQSCPFEX-AWEZNQCLSA-N	1	1	351.244	2.172	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](CC)Cc2cnns2)CC1	ZINC000957755644	681922156	/nfs/dbraw/zinc/92/21/56/681922156.db2.gz	LTVVPIRGMKDZAJ-SJORKVTESA-N	1	1	364.515	2.190	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)Cc1csc(C#N)c1	ZINC000914201644	685498615	/nfs/dbraw/zinc/49/86/15/685498615.db2.gz	LITXVRIDFSTSLH-CQSZACIVSA-N	1	1	350.469	2.119	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCc3csc(C)n3)C[C@H]21	ZINC000959945647	682012828	/nfs/dbraw/zinc/01/28/28/682012828.db2.gz	LKHNLCCYMZHIJI-ZBRFXRBCSA-N	1	1	361.511	2.022	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccc(C#N)s2)CC[N@@H+]1C	ZINC000960641890	682055747	/nfs/dbraw/zinc/05/57/47/682055747.db2.gz	NRBBFKNLDSIMSE-IIDMSEBBSA-N	1	1	360.527	2.383	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccc(C#N)s2)CC[N@H+]1C	ZINC000960641890	682055750	/nfs/dbraw/zinc/05/57/50/682055750.db2.gz	NRBBFKNLDSIMSE-IIDMSEBBSA-N	1	1	360.527	2.383	20	30		FEEDMO
C#CC[N@@H+](C[C@H]1CNC(=O)C1)[C@@H]1CCOc2ccc(Br)cc21	ZINC000851771343	682129124	/nfs/dbraw/zinc/12/91/24/682129124.db2.gz	BVXHERIATLWLEV-IUODEOHRSA-N	1	1	363.255	2.344	20	30		FEEDMO
C[NH+](C)CCOc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)cc1	ZINC000915945062	685519784	/nfs/dbraw/zinc/51/97/84/685519784.db2.gz	LIQQGVVXSJXFJV-UHFFFAOYSA-N	1	1	359.377	2.408	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nc(C(C)C)ns2)C1	ZINC000968718968	682242209	/nfs/dbraw/zinc/24/22/09/682242209.db2.gz	FHXDHXQLSUNLNK-KFWWJZLASA-N	1	1	364.515	2.333	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](N3CCOC3=O)C2)cc1Cl	ZINC000852435424	682277949	/nfs/dbraw/zinc/27/79/49/682277949.db2.gz	OHKRUWAWAFIZDI-AWEZNQCLSA-N	1	1	362.817	2.067	20	30		FEEDMO
N#C[C@H]1CC[C@H]([NH+]2CCC(n3nncc3I)CC2)C1	ZINC000852532661	682296972	/nfs/dbraw/zinc/29/69/72/682296972.db2.gz	NXYDQJZLLPSSFO-JQWIXIFHSA-N	1	1	371.226	2.212	20	30		FEEDMO
C#CCC[N@H+](CCOC)C[C@H](O)COc1cc(F)cc(Br)c1	ZINC000852748577	682335457	/nfs/dbraw/zinc/33/54/57/682335457.db2.gz	DNWMINFWAJQLRH-HNNXBMFYSA-N	1	1	374.250	2.300	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]21	ZINC000972340483	682408033	/nfs/dbraw/zinc/40/80/33/682408033.db2.gz	WHMCRGAAGCZRAW-DTZQCDIJSA-N	1	1	367.921	2.165	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc2c(cc1Br)OCO2	ZINC000857011412	682843457	/nfs/dbraw/zinc/84/34/57/682843457.db2.gz	QRZZFTZRSSUOES-LLVKDONJSA-N	1	1	366.211	2.432	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc2c(cc1Br)OCO2	ZINC000857011412	682843460	/nfs/dbraw/zinc/84/34/60/682843460.db2.gz	QRZZFTZRSSUOES-LLVKDONJSA-N	1	1	366.211	2.432	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=Cc1ccc2c(c1)CCCC2	ZINC000792906289	682848675	/nfs/dbraw/zinc/84/86/75/682848675.db2.gz	QPVHYGBLHIWUKY-UHFFFAOYSA-N	1	1	360.527	2.086	20	30		FEEDMO
Cc1c[nH+]ccc1OC1CCN(Cn2nc(CC#N)n(C)c2=S)CC1	ZINC000794643775	682986745	/nfs/dbraw/zinc/98/67/45/682986745.db2.gz	AOHKCONDNCEQOH-UHFFFAOYSA-N	1	1	358.471	2.221	20	30		FEEDMO
CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000860196859	683214574	/nfs/dbraw/zinc/21/45/74/683214574.db2.gz	LHRFBBPUCHHNIY-ZDUSSCGKSA-N	1	1	371.890	2.004	20	30		FEEDMO
CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000860196859	683214579	/nfs/dbraw/zinc/21/45/79/683214579.db2.gz	LHRFBBPUCHHNIY-ZDUSSCGKSA-N	1	1	371.890	2.004	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cc1ccc(OC)c(OC(F)F)c1	ZINC000860529673	683256196	/nfs/dbraw/zinc/25/61/96/683256196.db2.gz	KDVGWSNZSMJBRU-CQSZACIVSA-N	1	1	353.365	2.480	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C1=O	ZINC000798956599	683408213	/nfs/dbraw/zinc/40/82/13/683408213.db2.gz	FXBOBWKIVLZVDB-MRXNPFEDSA-N	1	1	351.491	2.352	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)C1=O	ZINC000799142454	683426678	/nfs/dbraw/zinc/42/66/78/683426678.db2.gz	SXSQKZKHWIBGBM-XHSDSOJGSA-N	1	1	351.491	2.399	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C2)C1=O	ZINC000799145856	683427339	/nfs/dbraw/zinc/42/73/39/683427339.db2.gz	OLBQOWZWWPNBLX-OAGGEKHMSA-N	1	1	351.491	2.399	20	30		FEEDMO
N#Cc1ccc(Br)c(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1	ZINC000921691516	683544342	/nfs/dbraw/zinc/54/43/42/683544342.db2.gz	YWVMXUJXSZRPKP-HUUCEWRRSA-N	1	1	350.260	2.274	20	30		FEEDMO
C#CC[N@H+](CC)C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000929787261	683638653	/nfs/dbraw/zinc/63/86/53/683638653.db2.gz	KMHYDTKCUFVUCM-MRXNPFEDSA-N	1	1	354.372	2.122	20	30		FEEDMO
C[C@](O)(C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)C(F)(F)C(F)(F)F	ZINC000930452038	683736257	/nfs/dbraw/zinc/73/62/57/683736257.db2.gz	FZLRIMHBQGOODK-VGMNWLOBSA-N	1	1	359.257	2.428	20	30		FEEDMO
C[C@](O)(C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)C(F)(F)C(F)(F)F	ZINC000930452037	683736321	/nfs/dbraw/zinc/73/63/21/683736321.db2.gz	FZLRIMHBQGOODK-HLTSFMKQSA-N	1	1	359.257	2.428	20	30		FEEDMO
C#CC[C@@H](COC)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000863804861	683774859	/nfs/dbraw/zinc/77/48/59/683774859.db2.gz	KJJVTIMSIXJXBU-IRXDYDNUSA-N	1	1	350.409	2.298	20	30		FEEDMO
C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CC1(O)CCC(C(=O)OCC)CC1	ZINC000931063807	683826039	/nfs/dbraw/zinc/82/60/39/683826039.db2.gz	VLTHMEUNMZRQMM-PBIMCDDKSA-N	1	1	351.487	2.405	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[N@H+](CC)C1	ZINC000864961547	683914621	/nfs/dbraw/zinc/91/46/21/683914621.db2.gz	BQPCBTGMWHFKDK-KBPBESRZSA-N	1	1	359.898	2.480	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000865007109	683922139	/nfs/dbraw/zinc/92/21/39/683922139.db2.gz	NACYAZOKESTFCR-OCCSQVGLSA-N	1	1	357.882	2.375	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC[C@H](C)C1	ZINC000866271223	684087307	/nfs/dbraw/zinc/08/73/07/684087307.db2.gz	GFNYSQVIHAGTIT-JSGCOSHPSA-N	1	1	359.898	2.480	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)CCSc2ccc(OC)c(OC)c2)C1	ZINC000923576979	684307809	/nfs/dbraw/zinc/30/78/09/684307809.db2.gz	NFLWRUJHVPJKRP-OAHLLOKOSA-N	1	1	362.495	2.400	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)CCSc2ccc(OC)c(OC)c2)C1	ZINC000923576979	684307813	/nfs/dbraw/zinc/30/78/13/684307813.db2.gz	NFLWRUJHVPJKRP-OAHLLOKOSA-N	1	1	362.495	2.400	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2S[C@H](C)C(=O)OC)C1	ZINC000923587046	684309166	/nfs/dbraw/zinc/30/91/66/684309166.db2.gz	VDOHZNUVERXKEE-CABCVRRESA-N	1	1	360.479	2.168	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2S[C@H](C)C(=O)OC)C1	ZINC000923587046	684309171	/nfs/dbraw/zinc/30/91/71/684309171.db2.gz	VDOHZNUVERXKEE-CABCVRRESA-N	1	1	360.479	2.168	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@H](C2OCCO2)C1	ZINC000932001228	684385754	/nfs/dbraw/zinc/38/57/54/684385754.db2.gz	AGAQLNFLTYYQLG-NEPJUHHUSA-N	1	1	361.467	2.130	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@H](C2OCCO2)C1	ZINC000932001228	684385758	/nfs/dbraw/zinc/38/57/58/684385758.db2.gz	AGAQLNFLTYYQLG-NEPJUHHUSA-N	1	1	361.467	2.130	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CC[C@H](C2OCCO2)C1)c1cccc(Cl)c1	ZINC000932008445	684389205	/nfs/dbraw/zinc/38/92/05/684389205.db2.gz	RSWREOFIXRQFLB-AWEZNQCLSA-N	1	1	363.845	2.281	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](N2C(=O)N[C@H](c3ccc(OC)c(Cl)c3)C2=O)C1	ZINC000925325487	684549985	/nfs/dbraw/zinc/54/99/85/684549985.db2.gz	LSZDLYOHGAZZQW-CZUORRHYSA-N	1	1	361.829	2.039	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@H](c3ccc(OC)c(Cl)c3)C2=O)C1	ZINC000925325487	684549987	/nfs/dbraw/zinc/54/99/87/684549987.db2.gz	LSZDLYOHGAZZQW-CZUORRHYSA-N	1	1	361.829	2.039	20	30		FEEDMO
C=CCn1c(Cc2nc(C)cs2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1	ZINC000871050137	684782428	/nfs/dbraw/zinc/78/24/28/684782428.db2.gz	GSAAVZMQPARRHD-GJZGRUSLSA-N	1	1	358.515	2.350	20	30		FEEDMO
C[C@H]1C(N=Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC[N@H+]1C	ZINC000872352755	684939327	/nfs/dbraw/zinc/93/93/27/684939327.db2.gz	FUNANJFPSXHUOY-JTQLQIEISA-N	1	1	350.348	2.471	20	30		FEEDMO
C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000872661963	684999875	/nfs/dbraw/zinc/99/98/75/684999875.db2.gz	BAKAUZLFEMLOQH-KBPBESRZSA-N	1	1	373.400	2.434	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1	ZINC000876711290	686250448	/nfs/dbraw/zinc/25/04/48/686250448.db2.gz	WABNLDLVSGBMID-HOTGVXAUSA-N	1	1	351.878	2.418	20	30		FEEDMO
Cc1nsc(N2CCC[N@H+](Cc3cc(C#N)ccc3N(C)C)CC2)n1	ZINC000876773643	686265633	/nfs/dbraw/zinc/26/56/33/686265633.db2.gz	CPLCVUQNBJEEHH-UHFFFAOYSA-N	1	1	356.499	2.497	20	30		FEEDMO
CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1	ZINC000877500318	686392650	/nfs/dbraw/zinc/39/26/50/686392650.db2.gz	FDTAQODOSZZYGU-KRWDZBQOSA-N	1	1	351.834	2.398	20	30		FEEDMO
CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1	ZINC000877500318	686392658	/nfs/dbraw/zinc/39/26/58/686392658.db2.gz	FDTAQODOSZZYGU-KRWDZBQOSA-N	1	1	351.834	2.398	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@H](C[N@@H+]1CC[C@](O)(CC#N)C1)CC(F)(F)F	ZINC000877606162	686420808	/nfs/dbraw/zinc/42/08/08/686420808.db2.gz	RGCRLDOCLNALNK-SMDDNHRTSA-N	1	1	351.369	2.183	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@H](C[N@H+]1CC[C@](O)(CC#N)C1)CC(F)(F)F	ZINC000877606162	686420812	/nfs/dbraw/zinc/42/08/12/686420812.db2.gz	RGCRLDOCLNALNK-SMDDNHRTSA-N	1	1	351.369	2.183	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)C(C)C	ZINC000878190835	686538362	/nfs/dbraw/zinc/53/83/62/686538362.db2.gz	RHNOJQGVNGDEFP-FJIDUMEYSA-N	1	1	368.543	2.157	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[NH+]1CCC(c2nc(C)c(C(=O)OCC)s2)CC1	ZINC000879680133	686887403	/nfs/dbraw/zinc/88/74/03/686887403.db2.gz	ZWMKWIHGBBOYEY-CYBMUJFWSA-N	1	1	365.499	2.498	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)C[C@H]1C	ZINC000883098918	687564475	/nfs/dbraw/zinc/56/44/75/687564475.db2.gz	CWCKBDCODUYTTP-SNVBAGLBSA-N	1	1	352.236	2.274	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)NCCc2cccc(C(F)(F)F)n2)C1	ZINC000884372040	687857916	/nfs/dbraw/zinc/85/79/16/687857916.db2.gz	FBSGVZXJUQAPQT-CQSZACIVSA-N	1	1	354.376	2.040	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2cccc(C(F)(F)F)n2)C1	ZINC000884372040	687857922	/nfs/dbraw/zinc/85/79/22/687857922.db2.gz	FBSGVZXJUQAPQT-CQSZACIVSA-N	1	1	354.376	2.040	20	30		FEEDMO
CC(C)(CNN=C1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)S(C)(=O)=O	ZINC000884451043	687873526	/nfs/dbraw/zinc/87/35/26/687873526.db2.gz	AWUAFKHRQNSTOT-WMZOPIPTSA-N	1	1	363.527	2.440	20	30		FEEDMO
Cc1ccc(CNC(=O)NCc2nc(C#N)cs2)c(N2CCCC2)[nH+]1	ZINC000894100235	689466553	/nfs/dbraw/zinc/46/65/53/689466553.db2.gz	FQYQJMBVCSUYGI-UHFFFAOYSA-N	1	1	356.455	2.318	20	30		FEEDMO
Cc1ccccc1C[NH+]1CCN(C(=O)NCc2nc(C#N)cs2)CC1	ZINC000897302290	690002778	/nfs/dbraw/zinc/00/27/78/690002778.db2.gz	JHMRGDAQXCAAJB-UHFFFAOYSA-N	1	1	355.467	2.351	20	30		FEEDMO
N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCC[N@@H+](CCF)C1	ZINC000898502794	690196676	/nfs/dbraw/zinc/19/66/76/690196676.db2.gz	FBNNCJOQXYUPTC-HNNXBMFYSA-N	1	1	368.250	2.413	20	30		FEEDMO
N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCC[N@H+](CCF)C1	ZINC000898502794	690196678	/nfs/dbraw/zinc/19/66/78/690196678.db2.gz	FBNNCJOQXYUPTC-HNNXBMFYSA-N	1	1	368.250	2.413	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1	ZINC000908436333	691678492	/nfs/dbraw/zinc/67/84/92/691678492.db2.gz	PPRDEFATQCBSOF-CVEARBPZSA-N	1	1	351.491	2.141	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc(Cl)c1C#N)C2	ZINC001164807945	720087244	/nfs/dbraw/zinc/08/72/44/720087244.db2.gz	GPUSQBUDROKSNE-KSSFIOAISA-N	1	1	361.877	2.186	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)c(F)cc4C#N)C[C@H]3C2)cn1	ZINC001164771668	721075144	/nfs/dbraw/zinc/07/51/44/721075144.db2.gz	SSDBGVLUXBXRFE-UKRRQHHQSA-N	1	1	374.851	2.438	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(C#N)cc4Cl)C[C@H]3C2)cn1	ZINC001164765803	721081061	/nfs/dbraw/zinc/08/10/61/721081061.db2.gz	JUTQTOJCEBBVSC-JKSUJKDBSA-N	1	1	356.861	2.298	20	30		FEEDMO
Cc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(C#N)c1	ZINC001164887176	721387103	/nfs/dbraw/zinc/38/71/03/721387103.db2.gz	HHGRTRHEPGNZPW-CTNGQTDRSA-N	1	1	369.513	2.027	20	30		FEEDMO
N#CCc1cncc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164903035	721549062	/nfs/dbraw/zinc/54/90/62/721549062.db2.gz	BVLPVOLUVBLLDF-FUHWJXTLSA-N	1	1	353.401	2.024	20	30		FEEDMO
N#Cc1cncc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1	ZINC001164903770	721691713	/nfs/dbraw/zinc/69/17/13/721691713.db2.gz	CGSPZLIJFKAOMN-GOSISDBHSA-N	1	1	370.407	2.481	20	30		FEEDMO
C=CC[NH+]1CCN(c2nccc(N(C)Cc3ccc(OC)cc3)n2)CC1	ZINC001165034036	721872526	/nfs/dbraw/zinc/87/25/26/721872526.db2.gz	DAOARBXJQRQRNS-UHFFFAOYSA-N	1	1	353.470	2.430	20	30		FEEDMO
N#Cc1ccc(NCC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)nc1	ZINC000497879193	883814119	/nfs/dbraw/zinc/81/41/19/883814119.db2.gz	CFDDLDXMTUHFHY-LJQANCHMSA-N	1	1	363.465	2.046	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000498759723	885703750	/nfs/dbraw/zinc/70/37/50/885703750.db2.gz	LNCPNSVCUGNYKI-CYBMUJFWSA-N	1	1	356.405	2.441	20	30		FEEDMO
CC[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c(C)c3C#N)cc2F)CC1	ZINC000508753880	888549208	/nfs/dbraw/zinc/54/92/08/888549208.db2.gz	ONNOEZIJBDONTR-UHFFFAOYSA-N	1	1	356.405	2.123	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000018260126	539648946	/nfs/dbraw/zinc/64/89/46/539648946.db2.gz	QLACKJSRTQHMIP-UHFFFAOYSA-N	1	1	365.433	2.290	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2ccccc2O)CC1	ZINC000021365049	539682698	/nfs/dbraw/zinc/68/26/98/539682698.db2.gz	KAPCLEONTCVRCI-UHFFFAOYSA-N	1	1	356.451	2.476	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)CN2CC[NH+](Cc3cccs3)CC2)cc1	ZINC000025232298	539752193	/nfs/dbraw/zinc/75/21/93/539752193.db2.gz	OIYMCAZAPQBMAN-GOSISDBHSA-N	1	1	371.506	2.372	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2cc(C#N)ccn2)CC1	ZINC000029445816	539853572	/nfs/dbraw/zinc/85/35/72/539853572.db2.gz	YVGFOKPVYKRRJY-UHFFFAOYSA-N	1	1	366.450	2.037	20	30		FEEDMO
CC(C)N(C)C(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000030271826	539876628	/nfs/dbraw/zinc/87/66/28/539876628.db2.gz	UFKQGNYGJWFXOI-OAHLLOKOSA-N	1	1	356.470	2.464	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)N2CCCCC2)CC1	ZINC000041106457	540012176	/nfs/dbraw/zinc/01/21/76/540012176.db2.gz	XTTUWCQGVGSOKK-KRWDZBQOSA-N	1	1	374.529	2.442	20	30		FEEDMO
Cc1[nH+]c2cc3c(cc2n1C[C@H](O)COc1ccc(C#N)cc1)OCCO3	ZINC000042755511	540077250	/nfs/dbraw/zinc/07/72/50/540077250.db2.gz	BDGGFYBUWJSVCE-HNNXBMFYSA-N	1	1	365.389	2.428	20	30		FEEDMO
C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC	ZINC000824296900	675593769	/nfs/dbraw/zinc/59/37/69/675593769.db2.gz	KTCZWWXODARHQB-VXGBXAGGSA-N	1	1	353.260	2.416	20	30		FEEDMO
C#C[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC	ZINC000824296900	675593770	/nfs/dbraw/zinc/59/37/70/675593770.db2.gz	KTCZWWXODARHQB-VXGBXAGGSA-N	1	1	353.260	2.416	20	30		FEEDMO
N#Cc1ccccc1OCc1ccc(C(=O)NCCC[NH+]2CCOCC2)o1	ZINC000048190266	540350788	/nfs/dbraw/zinc/35/07/88/540350788.db2.gz	RRJNETGFAZYTMT-UHFFFAOYSA-N	1	1	369.421	2.182	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C	ZINC000050165990	540401786	/nfs/dbraw/zinc/40/17/86/540401786.db2.gz	URISWRUTFALONS-HNNXBMFYSA-N	1	1	372.469	2.276	20	30		FEEDMO
N#Cc1cccc(OCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1	ZINC000051424420	540433620	/nfs/dbraw/zinc/43/36/20/540433620.db2.gz	CCIYWTRKYDWKNP-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
N#Cc1cccc(OCC[NH+]2CCN(Cc3cn4ccccc4n3)CC2)c1	ZINC000051533134	540436571	/nfs/dbraw/zinc/43/65/71/540436571.db2.gz	IKTGQCMUPXZESN-UHFFFAOYSA-N	1	1	361.449	2.403	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C[C@H]1CCCO1	ZINC000052102731	540454742	/nfs/dbraw/zinc/45/47/42/540454742.db2.gz	PQPJMNOXYIDIGM-MRXNPFEDSA-N	1	1	362.474	2.062	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)C[C@H]1CCCO1	ZINC000052102731	540454744	/nfs/dbraw/zinc/45/47/44/540454744.db2.gz	PQPJMNOXYIDIGM-MRXNPFEDSA-N	1	1	362.474	2.062	20	30		FEEDMO
CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000052801396	540490246	/nfs/dbraw/zinc/49/02/46/540490246.db2.gz	SAJQUEPTONJPRG-QGZVFWFLSA-N	1	1	358.486	2.002	20	30		FEEDMO
CCOCCCNC(=O)[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000052801396	540490249	/nfs/dbraw/zinc/49/02/49/540490249.db2.gz	SAJQUEPTONJPRG-QGZVFWFLSA-N	1	1	358.486	2.002	20	30		FEEDMO
Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000052746399	540487090	/nfs/dbraw/zinc/48/70/90/540487090.db2.gz	ONZBNAIBPHHRHF-OAQYLSRUSA-N	1	1	370.497	2.244	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)CCCCC1	ZINC000054181172	540573175	/nfs/dbraw/zinc/57/31/75/540573175.db2.gz	DKWAONSXWTZGCZ-INIZCTEOSA-N	1	1	369.469	2.075	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)CCCCC1	ZINC000054181172	540573178	/nfs/dbraw/zinc/57/31/78/540573178.db2.gz	DKWAONSXWTZGCZ-INIZCTEOSA-N	1	1	369.469	2.075	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000054874276	540615451	/nfs/dbraw/zinc/61/54/51/540615451.db2.gz	CEFHFSPTQSCPAM-NVXWUHKLSA-N	1	1	370.453	2.027	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000055031522	540623080	/nfs/dbraw/zinc/62/30/80/540623080.db2.gz	NQLWPERZBZIUNW-HNNXBMFYSA-N	1	1	357.458	2.033	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000055052192	540624389	/nfs/dbraw/zinc/62/43/89/540624389.db2.gz	CIGRELCTVVPFDE-UHFFFAOYSA-N	1	1	357.458	2.035	20	30		FEEDMO
CCCCC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C(C)C	ZINC000059350233	540864223	/nfs/dbraw/zinc/86/42/23/540864223.db2.gz	NNKVOTFCHNYIEU-UHFFFAOYSA-N	1	1	361.490	2.404	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000066313959	541300481	/nfs/dbraw/zinc/30/04/81/541300481.db2.gz	UNXNJMHUZZJFCB-AZUAARDMSA-N	1	1	359.514	2.463	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000066313959	541300483	/nfs/dbraw/zinc/30/04/83/541300483.db2.gz	UNXNJMHUZZJFCB-AZUAARDMSA-N	1	1	359.514	2.463	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000066313959	541300485	/nfs/dbraw/zinc/30/04/85/541300485.db2.gz	UNXNJMHUZZJFCB-AZUAARDMSA-N	1	1	359.514	2.463	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(c3ccc(C#N)cc3F)CC2)CC1	ZINC000066468258	541321690	/nfs/dbraw/zinc/32/16/90/541321690.db2.gz	BCYDGOGAFOJXJX-UHFFFAOYSA-N	1	1	358.461	2.468	20	30		FEEDMO
C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437797	541318723	/nfs/dbraw/zinc/31/87/23/541318723.db2.gz	DKZSHCXQEBHPLY-QGZVFWFLSA-N	1	1	363.465	2.170	20	30		FEEDMO
C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437797	541318730	/nfs/dbraw/zinc/31/87/30/541318730.db2.gz	DKZSHCXQEBHPLY-QGZVFWFLSA-N	1	1	363.465	2.170	20	30		FEEDMO
CCN([C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)N(C)CCC#N	ZINC000066912689	541392263	/nfs/dbraw/zinc/39/22/63/541392263.db2.gz	DWCYZPOLLTUUDI-WMZOPIPTSA-N	1	1	364.515	2.234	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNS(=O)(=O)CCCCC#N)c2)CCO1	ZINC000068900565	541638795	/nfs/dbraw/zinc/63/87/95/541638795.db2.gz	CXBKINZDAINALC-MRXNPFEDSA-N	1	1	365.499	2.021	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNS(=O)(=O)CCCCC#N)c2)CCO1	ZINC000068900565	541638798	/nfs/dbraw/zinc/63/87/98/541638798.db2.gz	CXBKINZDAINALC-MRXNPFEDSA-N	1	1	365.499	2.021	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000069607024	541699690	/nfs/dbraw/zinc/69/96/90/541699690.db2.gz	YLYUPKLQZPXYHZ-LJQANCHMSA-N	1	1	364.449	2.407	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000067413721	205370937	/nfs/dbraw/zinc/37/09/37/205370937.db2.gz	KDHOFJMZVIQQJW-DOTOQJQBSA-N	1	1	374.460	2.309	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000067413721	205370941	/nfs/dbraw/zinc/37/09/41/205370941.db2.gz	KDHOFJMZVIQQJW-DOTOQJQBSA-N	1	1	374.460	2.309	20	30		FEEDMO
C[C@H]1CCN(CC(=O)N(CCC#N)CCC#N)CC[N@H+]1Cc1ccccc1	ZINC000072895661	541889602	/nfs/dbraw/zinc/88/96/02/541889602.db2.gz	OLSFSCFXEIWFCH-IBGZPJMESA-N	1	1	367.497	2.239	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)CC1	ZINC000073615681	541974000	/nfs/dbraw/zinc/97/40/00/541974000.db2.gz	TVLGFPFQIOMHEV-HNNXBMFYSA-N	1	1	357.454	2.180	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)CC1	ZINC000073615681	541974005	/nfs/dbraw/zinc/97/40/05/541974005.db2.gz	TVLGFPFQIOMHEV-HNNXBMFYSA-N	1	1	357.454	2.180	20	30		FEEDMO
C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1cccc(C#N)c1	ZINC000074917542	542136133	/nfs/dbraw/zinc/13/61/33/542136133.db2.gz	OLZPRGCQKAKKKK-INIZCTEOSA-N	1	1	357.502	2.287	20	30		FEEDMO
C[C@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1cccc(C#N)c1	ZINC000074917542	542136138	/nfs/dbraw/zinc/13/61/38/542136138.db2.gz	OLZPRGCQKAKKKK-INIZCTEOSA-N	1	1	357.502	2.287	20	30		FEEDMO
CC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)CC1	ZINC000075516534	542183985	/nfs/dbraw/zinc/18/39/85/542183985.db2.gz	MFBJJCPCQZMVGX-CMDGGOBGSA-N	1	1	368.481	2.020	20	30		FEEDMO
CC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)/C=C/c2cccc(C#N)c2)CC1	ZINC000075516534	542183988	/nfs/dbraw/zinc/18/39/88/542183988.db2.gz	MFBJJCPCQZMVGX-CMDGGOBGSA-N	1	1	368.481	2.020	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCCN(CC(F)(F)F)CC1	ZINC000076399443	542274331	/nfs/dbraw/zinc/27/43/31/542274331.db2.gz	YMSSZBCOHSOXAO-UHFFFAOYSA-N	1	1	354.376	2.457	20	30		FEEDMO
C=CCCC[N@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br	ZINC000076734061	542318603	/nfs/dbraw/zinc/31/86/03/542318603.db2.gz	VMZOPJUSHABGSB-UHFFFAOYSA-N	1	1	368.275	2.402	20	30		FEEDMO
C=CCCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000076736259	542319677	/nfs/dbraw/zinc/31/96/77/542319677.db2.gz	HEENLEMPTGLWIF-UHFFFAOYSA-N	1	1	373.906	2.427	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1	ZINC000077817565	542423574	/nfs/dbraw/zinc/42/35/74/542423574.db2.gz	YEDLSKYABGSNBE-IBGZPJMESA-N	1	1	361.445	2.093	20	30		FEEDMO
N#Cc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c(F)c1	ZINC000078111887	542442493	/nfs/dbraw/zinc/44/24/93/542442493.db2.gz	NDCKCCZNHSWGJH-IBGZPJMESA-N	1	1	353.397	2.215	20	30		FEEDMO
N#Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c(F)c1	ZINC000078111887	542442497	/nfs/dbraw/zinc/44/24/97/542442497.db2.gz	NDCKCCZNHSWGJH-IBGZPJMESA-N	1	1	353.397	2.215	20	30		FEEDMO
N#CCOc1cccc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1	ZINC000078085862	542440225	/nfs/dbraw/zinc/44/02/25/542440225.db2.gz	JIQSUQNSQLSCAS-IBGZPJMESA-N	1	1	351.406	2.428	20	30		FEEDMO
N#CCOc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1	ZINC000078085862	542440229	/nfs/dbraw/zinc/44/02/29/542440229.db2.gz	JIQSUQNSQLSCAS-IBGZPJMESA-N	1	1	351.406	2.428	20	30		FEEDMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1	ZINC000078963696	542490550	/nfs/dbraw/zinc/49/05/50/542490550.db2.gz	HEHLNNUCZLZYGK-JKSUJKDBSA-N	1	1	357.454	2.037	20	30		FEEDMO
C[NH+]1CCN(C[C@H]2CCCN(C(=O)c3cccc(SCC#N)c3)C2)CC1	ZINC000079541267	542525148	/nfs/dbraw/zinc/52/51/48/542525148.db2.gz	YSKJVKURJVNFNH-QGZVFWFLSA-N	1	1	372.538	2.402	20	30		FEEDMO
N#Cc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1	ZINC000079979030	542554915	/nfs/dbraw/zinc/55/49/15/542554915.db2.gz	ZIWMNWQEFHIRFA-UHFFFAOYSA-N	1	1	364.449	2.390	20	30		FEEDMO
N#CCC[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)CC1CC1	ZINC000081044908	542627786	/nfs/dbraw/zinc/62/77/86/542627786.db2.gz	ITHOULVBEUKXSW-UHFFFAOYSA-N	1	1	356.470	2.477	20	30		FEEDMO
C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000081725383	542673592	/nfs/dbraw/zinc/67/35/92/542673592.db2.gz	LVNOKJPVHNEUPS-VQTJNVASSA-N	1	1	354.498	2.052	20	30		FEEDMO
CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1C	ZINC000083737846	542703575	/nfs/dbraw/zinc/70/35/75/542703575.db2.gz	NGTVHMVNZDMVBY-ZWKOTPCHSA-N	1	1	366.469	2.467	20	30		FEEDMO
CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1C	ZINC000083737848	542703708	/nfs/dbraw/zinc/70/37/08/542703708.db2.gz	NGTVHMVNZDMVBY-QZTJIDSGSA-N	1	1	366.469	2.467	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2cccc(OCC#N)c2)cn1	ZINC000089761025	542769673	/nfs/dbraw/zinc/76/96/73/542769673.db2.gz	UQASLSUIIZSRDH-UHFFFAOYSA-N	1	1	361.405	2.337	20	30		FEEDMO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)n1	ZINC000091194208	542797359	/nfs/dbraw/zinc/79/73/59/542797359.db2.gz	YLQBJBYIFHWLII-OAHLLOKOSA-N	1	1	374.489	2.045	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCc3ccccc3C2)CC1	ZINC000091558899	542812629	/nfs/dbraw/zinc/81/26/29/542812629.db2.gz	GJIFJYXRKUXMFM-HXUWFJFHSA-N	1	1	354.498	2.127	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](CCC(F)(F)F)CC2CC2)CC1	ZINC000091590653	542813947	/nfs/dbraw/zinc/81/39/47/542813947.db2.gz	CBNTWNZMZPWENN-INIZCTEOSA-N	1	1	374.451	2.343	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)CC1	ZINC000091590653	542813949	/nfs/dbraw/zinc/81/39/49/542813949.db2.gz	CBNTWNZMZPWENN-INIZCTEOSA-N	1	1	374.451	2.343	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2cccn2C)CC1	ZINC000091588818	542814289	/nfs/dbraw/zinc/81/42/89/542814289.db2.gz	LFGJPQQLZKCCGV-UXHICEINSA-N	1	1	371.529	2.244	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2c2cccn2C)CC1	ZINC000091588818	542814293	/nfs/dbraw/zinc/81/42/93/542814293.db2.gz	LFGJPQQLZKCCGV-UXHICEINSA-N	1	1	371.529	2.244	20	30		FEEDMO
CCc1nn(C)cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000092248751	542851964	/nfs/dbraw/zinc/85/19/64/542851964.db2.gz	GIOSRDWYSBWFPX-UHFFFAOYSA-N	1	1	351.454	2.202	20	30		FEEDMO
CCc1nn(C)cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000092248751	542851965	/nfs/dbraw/zinc/85/19/65/542851965.db2.gz	GIOSRDWYSBWFPX-UHFFFAOYSA-N	1	1	351.454	2.202	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)CC1	ZINC000092618200	542875734	/nfs/dbraw/zinc/87/57/34/542875734.db2.gz	MWUQDBPQAXSSFI-VQTJNVASSA-N	1	1	354.498	2.168	20	30		FEEDMO
CC[C@@H](C)[N@@H+](CCC(=O)N(C)CCC#N)Cc1nc2ccccc2c(=O)[nH]1	ZINC000092804455	542887991	/nfs/dbraw/zinc/88/79/91/542887991.db2.gz	GKAHAIIHRGVHSD-OAHLLOKOSA-N	1	1	369.469	2.286	20	30		FEEDMO
CN(CCC#N)C(=O)CC[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1	ZINC000092797782	542888424	/nfs/dbraw/zinc/88/84/24/542888424.db2.gz	QQJFKTQZVBPVDZ-UHFFFAOYSA-N	1	1	357.380	2.370	20	30		FEEDMO
Cn1ccnc1CN1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1	ZINC000093108502	542909206	/nfs/dbraw/zinc/90/92/06/542909206.db2.gz	ZUQVMXXPYGZUCO-UHFFFAOYSA-N	1	1	353.470	2.420	20	30		FEEDMO
C[N@H+](CCN1CCN(c2ccccc2)CC1)Cc1cnc2ccc(C#N)cn12	ZINC000093563528	542934983	/nfs/dbraw/zinc/93/49/83/542934983.db2.gz	IHNSQPPZNVFPRM-UHFFFAOYSA-N	1	1	374.492	2.460	20	30		FEEDMO
C[N@@H+](CCN1CCN(c2ccccc2)CC1)Cc1cnc2ccc(C#N)cn12	ZINC000093563528	542934987	/nfs/dbraw/zinc/93/49/87/542934987.db2.gz	IHNSQPPZNVFPRM-UHFFFAOYSA-N	1	1	374.492	2.460	20	30		FEEDMO
N#CCCN(C(=O)C[NH+]1CCC2(CC1)OCCO2)c1cccc(Cl)c1	ZINC000097153343	543005923	/nfs/dbraw/zinc/00/59/23/543005923.db2.gz	VVOGHQVEGOBYMH-UHFFFAOYSA-N	1	1	363.845	2.426	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)c1	ZINC000097252474	543008750	/nfs/dbraw/zinc/00/87/50/543008750.db2.gz	TVOBGVHFKRXDGM-UHFFFAOYSA-N	1	1	355.463	2.036	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)c1	ZINC000097252474	543008753	/nfs/dbraw/zinc/00/87/53/543008753.db2.gz	TVOBGVHFKRXDGM-UHFFFAOYSA-N	1	1	355.463	2.036	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c1	ZINC000103284600	543101435	/nfs/dbraw/zinc/10/14/35/543101435.db2.gz	HSHXCCXHNRLVKK-DLBZAZTESA-N	1	1	356.470	2.136	20	30		FEEDMO
CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000103476536	543110463	/nfs/dbraw/zinc/11/04/63/543110463.db2.gz	IKONLNPHNOEMBY-SJLPKXTDSA-N	1	1	364.453	2.155	20	30		FEEDMO
CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000103476536	543110466	/nfs/dbraw/zinc/11/04/66/543110466.db2.gz	IKONLNPHNOEMBY-SJLPKXTDSA-N	1	1	364.453	2.155	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(N2CCCC2=O)CC1	ZINC000104728216	543140191	/nfs/dbraw/zinc/14/01/91/543140191.db2.gz	FSJRYHYNRKXGQU-QGZVFWFLSA-N	1	1	368.481	2.409	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000104997005	543154036	/nfs/dbraw/zinc/15/40/36/543154036.db2.gz	DSVRWUQSRSMURF-OAHLLOKOSA-N	1	1	371.485	2.197	20	30		FEEDMO
CC(C)[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H](C)O	ZINC000107041966	543260143	/nfs/dbraw/zinc/26/01/43/543260143.db2.gz	CKRHKAIIDZWFNI-CQSZACIVSA-N	1	1	356.388	2.264	20	30		FEEDMO
CCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1	ZINC000108611313	543297614	/nfs/dbraw/zinc/29/76/14/543297614.db2.gz	YMPYPIQIJHAFAX-OAHLLOKOSA-N	1	1	374.510	2.431	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1	ZINC000108617688	543298231	/nfs/dbraw/zinc/29/82/31/543298231.db2.gz	UJYARQCMLKFGKS-QGZVFWFLSA-N	1	1	357.454	2.181	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccccc1	ZINC000109820036	543340930	/nfs/dbraw/zinc/34/09/30/543340930.db2.gz	VLWNMJVYLJWWCG-HXUWFJFHSA-N	1	1	370.497	2.120	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1CN1CCOCC1)c1ccccc1	ZINC000109820036	543340932	/nfs/dbraw/zinc/34/09/32/543340932.db2.gz	VLWNMJVYLJWWCG-HXUWFJFHSA-N	1	1	370.497	2.120	20	30		FEEDMO
O=C(C[N@@H+]1CCCC[C@@H]1CCO)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000111240219	543388138	/nfs/dbraw/zinc/38/81/38/543388138.db2.gz	LLEMQARISGHDAA-QGZVFWFLSA-N	1	1	368.399	2.410	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000111350363	543398904	/nfs/dbraw/zinc/39/89/04/543398904.db2.gz	CYGFGUCAJQCSGE-CQSZACIVSA-N	1	1	350.488	2.132	20	30		FEEDMO
C#CCOc1ccc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)cc1	ZINC000113334486	543484368	/nfs/dbraw/zinc/48/43/68/543484368.db2.gz	JYTVWXQOBOKOHF-UHFFFAOYSA-N	1	1	365.477	2.280	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC([N@@H+](C)CCCO)CC1	ZINC000115547017	543573271	/nfs/dbraw/zinc/57/32/71/543573271.db2.gz	RNSVAQSCHIHBHQ-GOSISDBHSA-N	1	1	372.513	2.100	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000118117815	543646401	/nfs/dbraw/zinc/64/64/01/543646401.db2.gz	JWQDDVKBFXHEMS-HNNXBMFYSA-N	1	1	360.458	2.154	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1	ZINC000120712871	543683842	/nfs/dbraw/zinc/68/38/42/543683842.db2.gz	SVIAKFPGJJYAIE-MRXNPFEDSA-N	1	1	357.454	2.219	20	30		FEEDMO
C=CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000121408860	543694024	/nfs/dbraw/zinc/69/40/24/543694024.db2.gz	PZORGOZGDIXGDU-OAHLLOKOSA-N	1	1	365.499	2.306	20	30		FEEDMO
C=CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1	ZINC000121408860	543694027	/nfs/dbraw/zinc/69/40/27/543694027.db2.gz	PZORGOZGDIXGDU-OAHLLOKOSA-N	1	1	365.499	2.306	20	30		FEEDMO
CC(C)(O)[C@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000119116002	543663851	/nfs/dbraw/zinc/66/38/51/543663851.db2.gz	QOXJVJVBBKBQCZ-MRXNPFEDSA-N	1	1	368.399	2.408	20	30		FEEDMO
C#CCCCCC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000119657169	543670807	/nfs/dbraw/zinc/67/08/07/543670807.db2.gz	GLDKAGALOMKNFZ-UHFFFAOYSA-N	1	1	371.481	2.157	20	30		FEEDMO
CC(=O)N(C)C1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1	ZINC000119840455	543672998	/nfs/dbraw/zinc/67/29/98/543672998.db2.gz	ODTUTDFQONYPLS-LFDOHDQPSA-N	1	1	362.518	2.248	20	30		FEEDMO
C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C	ZINC000120458501	543680060	/nfs/dbraw/zinc/68/00/60/543680060.db2.gz	YGASEBXMVBWUTR-WMLDXEAASA-N	1	1	356.470	2.367	20	30		FEEDMO
CN(C)C(=O)c1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[nH]1	ZINC000122808924	543725024	/nfs/dbraw/zinc/72/50/24/543725024.db2.gz	RQTZFYUTFUMRAV-UHFFFAOYSA-N	1	1	365.481	2.296	20	30		FEEDMO
CN(C(=O)c1ccc(C#N)nc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000124595295	543831723	/nfs/dbraw/zinc/83/17/23/543831723.db2.gz	YPJNHDLRPXOZQT-PMACEKPBSA-N	1	1	369.513	2.362	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CCN1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000124860442	543847017	/nfs/dbraw/zinc/84/70/17/543847017.db2.gz	XYZPQDRMYQAQGE-OAHLLOKOSA-N	1	1	355.442	2.413	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC[C@@H]21	ZINC000126880570	543961461	/nfs/dbraw/zinc/96/14/61/543961461.db2.gz	ZHNXUOFSMDFREK-WFASDCNBSA-N	1	1	353.875	2.316	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1	ZINC000127882527	544019382	/nfs/dbraw/zinc/01/93/82/544019382.db2.gz	UKILKKCTNPKDTN-AEFFLSMTSA-N	1	1	357.454	2.085	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1	ZINC000127882527	544019386	/nfs/dbraw/zinc/01/93/86/544019386.db2.gz	UKILKKCTNPKDTN-AEFFLSMTSA-N	1	1	357.454	2.085	20	30		FEEDMO
C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000128641403	544064308	/nfs/dbraw/zinc/06/43/08/544064308.db2.gz	DLIQSIPRFVSJKN-ZDUSSCGKSA-N	1	1	351.447	2.335	20	30		FEEDMO
CCN(CC)C(=O)CN1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1	ZINC000129230154	544098610	/nfs/dbraw/zinc/09/86/10/544098610.db2.gz	ZLNLMVTYYWYLBM-SFHVURJKSA-N	1	1	372.513	2.354	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1	ZINC000129230154	544098612	/nfs/dbraw/zinc/09/86/12/544098612.db2.gz	ZLNLMVTYYWYLBM-SFHVURJKSA-N	1	1	372.513	2.354	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1	ZINC000129230154	544098614	/nfs/dbraw/zinc/09/86/14/544098614.db2.gz	ZLNLMVTYYWYLBM-SFHVURJKSA-N	1	1	372.513	2.354	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1	ZINC000129290205	544103712	/nfs/dbraw/zinc/10/37/12/544103712.db2.gz	GEHQIMGXCBUMGX-GOSISDBHSA-N	1	1	370.497	2.108	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1	ZINC000129290205	544103714	/nfs/dbraw/zinc/10/37/14/544103714.db2.gz	GEHQIMGXCBUMGX-GOSISDBHSA-N	1	1	370.497	2.108	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1	ZINC000129290205	544103717	/nfs/dbraw/zinc/10/37/17/544103717.db2.gz	GEHQIMGXCBUMGX-GOSISDBHSA-N	1	1	370.497	2.108	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[N@H+]1C1CC1	ZINC000130509065	544153854	/nfs/dbraw/zinc/15/38/54/544153854.db2.gz	DFBIPXYTBVWTFG-XKGZKEIXSA-N	1	1	367.497	2.031	20	30		FEEDMO
C=C[C@H](CC(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1)c1ccccc1	ZINC000134564719	544313232	/nfs/dbraw/zinc/31/32/32/544313232.db2.gz	NRONAFDYMSBTJI-IEBWSBKVSA-N	1	1	355.482	2.111	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1	ZINC000134791852	544321493	/nfs/dbraw/zinc/32/14/93/544321493.db2.gz	QEPMONXCCHGHOW-MOPGFXCFSA-N	1	1	372.444	2.370	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)N(C)CCC#N)CC1	ZINC000152758670	544691568	/nfs/dbraw/zinc/69/15/68/544691568.db2.gz	NXRYYZCYOFKXFC-MRXNPFEDSA-N	1	1	356.536	2.053	20	30		FEEDMO
C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153282916	544756033	/nfs/dbraw/zinc/75/60/33/544756033.db2.gz	ALNWEWLUHWRWEY-QWHCGFSZSA-N	1	1	372.448	2.133	20	30		FEEDMO
Cc1oc(NC(=O)C[NH2+]C(C)(C)C(=O)NCC2CCCC2)c(C#N)c1C	ZINC000155145715	544995431	/nfs/dbraw/zinc/99/54/31/544995431.db2.gz	KCXIADUHLGQKLT-UHFFFAOYSA-N	1	1	360.458	2.381	20	30		FEEDMO
CN(C)C(=O)C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccccc1	ZINC000553253265	674248477	/nfs/dbraw/zinc/24/84/77/674248477.db2.gz	DGJPPQUQBGLLCG-HNNXBMFYSA-N	1	1	356.451	2.367	20	30		FEEDMO
N#Cc1cc(Cl)cc(Br)c1N1CC[N@@H+]2CCOC[C@@H]2C1	ZINC000553486979	674265583	/nfs/dbraw/zinc/26/55/83/674265583.db2.gz	NNJKSSNVKXARLK-LBPRGKRZSA-N	1	1	356.651	2.495	20	30		FEEDMO
N#Cc1cc(Cl)cc(Br)c1N1CC[N@H+]2CCOC[C@@H]2C1	ZINC000553486979	674265584	/nfs/dbraw/zinc/26/55/84/674265584.db2.gz	NNJKSSNVKXARLK-LBPRGKRZSA-N	1	1	356.651	2.495	20	30		FEEDMO
N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c1	ZINC000191795266	328282257	/nfs/dbraw/zinc/28/22/57/328282257.db2.gz	ARIKDEUFYWBTGX-HNNXBMFYSA-N	1	1	350.260	2.227	20	30		FEEDMO
N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](N3CCOCC3)C2)c1	ZINC000191795266	328282258	/nfs/dbraw/zinc/28/22/58/328282258.db2.gz	ARIKDEUFYWBTGX-HNNXBMFYSA-N	1	1	350.260	2.227	20	30		FEEDMO
C[N@@H+]1C[C@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)C[C@H]2C1	ZINC000192482728	328321489	/nfs/dbraw/zinc/32/14/89/328321489.db2.gz	NHFQCRFTNCNRPS-CALCHBBNSA-N	1	1	351.406	2.364	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)c1	ZINC000193951683	328403865	/nfs/dbraw/zinc/40/38/65/328403865.db2.gz	HSJGEJKUARLHHD-UHFFFAOYSA-N	1	1	370.478	2.037	20	30		FEEDMO
C[C@H]1CCCN(C(=O)C2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)C1	ZINC000194223292	328415743	/nfs/dbraw/zinc/41/57/43/328415743.db2.gz	XBOUXJAZOICZJS-INIZCTEOSA-N	1	1	368.481	2.467	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000083537915	325218705	/nfs/dbraw/zinc/21/87/05/325218705.db2.gz	KXDGUYWYQWFQGE-LLVKDONJSA-N	1	1	361.389	2.197	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1ccc(C#N)cc1	ZINC000116253133	326002474	/nfs/dbraw/zinc/00/24/74/326002474.db2.gz	YCVKUVPHQCEHJG-UZLBHIALSA-N	1	1	364.449	2.359	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(F)c(C#N)c2)C1	ZINC000120183258	326238465	/nfs/dbraw/zinc/23/84/65/326238465.db2.gz	FZNMMMICVXJRDN-CQSZACIVSA-N	1	1	353.463	2.344	20	30		FEEDMO
CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)n1	ZINC000121691096	326358619	/nfs/dbraw/zinc/35/86/19/326358619.db2.gz	SUTZLTWABOZRSN-AWEZNQCLSA-N	1	1	373.432	2.496	20	30		FEEDMO
CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)n1	ZINC000121691096	326358620	/nfs/dbraw/zinc/35/86/20/326358620.db2.gz	SUTZLTWABOZRSN-AWEZNQCLSA-N	1	1	373.432	2.496	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC[C@@H]21	ZINC000122320449	326392258	/nfs/dbraw/zinc/39/22/58/326392258.db2.gz	RYXCEFQYGVUDKL-WBMJQRKESA-N	1	1	353.875	2.316	20	30		FEEDMO
CC[NH+]1CCC(CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000125684840	326476119	/nfs/dbraw/zinc/47/61/19/326476119.db2.gz	KUAZKZQAXBIFIC-UHFFFAOYSA-N	1	1	357.426	2.237	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000128910554	326531599	/nfs/dbraw/zinc/53/15/99/326531599.db2.gz	MFWGZKUNYGRVCH-HZPDHXFCSA-N	1	1	365.499	2.034	20	30		FEEDMO
N#Cc1cccnc1N1CC[NH+](CCOCCOc2ccccc2)CC1	ZINC000132996940	326601312	/nfs/dbraw/zinc/60/13/12/326601312.db2.gz	JBTPKABPEFINTC-UHFFFAOYSA-N	1	1	352.438	2.171	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1cccc(F)c1	ZINC000156159448	326819842	/nfs/dbraw/zinc/81/98/42/326819842.db2.gz	BZNHYKWAPLABBD-INIZCTEOSA-N	1	1	365.405	2.418	20	30		FEEDMO
Cc1ccc(N2CCC(NS(=O)(=O)c3cccc(C#N)c3)CC2)[nH+]c1	ZINC000173210640	327241770	/nfs/dbraw/zinc/24/17/70/327241770.db2.gz	AUCKTJGOKJGUQN-UHFFFAOYSA-N	1	1	356.451	2.209	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1C#N	ZINC000174570545	327335748	/nfs/dbraw/zinc/33/57/48/327335748.db2.gz	FDCYBZLMMAWFFN-QGZVFWFLSA-N	1	1	366.421	2.352	20	30		FEEDMO
N#Cc1cnc2ccccc2c1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1	ZINC000266045078	329184774	/nfs/dbraw/zinc/18/47/74/329184774.db2.gz	BRHRJDYUHNYAPO-UHFFFAOYSA-N	1	1	363.465	2.241	20	30		FEEDMO
N#Cc1cnc2ccccc2c1N1CCC[N@H+](CC(=O)N2CCCC2)CC1	ZINC000266045078	329184775	/nfs/dbraw/zinc/18/47/75/329184775.db2.gz	BRHRJDYUHNYAPO-UHFFFAOYSA-N	1	1	363.465	2.241	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCCN(C=O)CC2)sc2c1CCCCC2	ZINC000266132270	329193243	/nfs/dbraw/zinc/19/32/43/329193243.db2.gz	RLDQOHYPEDVGCP-UHFFFAOYSA-N	1	1	374.510	2.381	20	30		FEEDMO
COC(=O)[C@H]1CC12CC[NH+]([C@@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000267623824	329344471	/nfs/dbraw/zinc/34/44/71/329344471.db2.gz	QYPKKOMEOCPVJK-ZIAGYGMSSA-N	1	1	359.451	2.000	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(c3ccc4nnc(C(F)F)n4n3)CC2)cc1	ZINC000269097786	329485399	/nfs/dbraw/zinc/48/53/99/329485399.db2.gz	RMPDCZXMZMKMKR-UHFFFAOYSA-N	1	1	369.379	2.256	20	30		FEEDMO
N#Cc1ccc(OCCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1	ZINC000361448581	330204207	/nfs/dbraw/zinc/20/42/07/330204207.db2.gz	BAITVGLYNVHFDX-QXAKKESOSA-N	1	1	354.454	2.063	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)ccc1F	ZINC000367102490	330216946	/nfs/dbraw/zinc/21/69/46/330216946.db2.gz	YRPDUTWBOQXNHX-KRWDZBQOSA-N	1	1	363.389	2.172	20	30		FEEDMO
C[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCOCC1	ZINC000416697189	330261620	/nfs/dbraw/zinc/26/16/20/330261620.db2.gz	VJCPEMDZPUEVJX-KXBFYZLASA-N	1	1	356.470	2.203	20	30		FEEDMO
C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000805072692	674316922	/nfs/dbraw/zinc/31/69/22/674316922.db2.gz	OSFMPHISLOMHPB-NSHDSACASA-N	1	1	372.288	2.083	20	30		FEEDMO
C[NH+](C)Cc1cccc(C(=O)NC2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c1	ZINC000328637215	521910494	/nfs/dbraw/zinc/91/04/94/521910494.db2.gz	OLULAINJNHVLJL-UHFFFAOYSA-N	1	1	359.470	2.380	20	30		FEEDMO
CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000156167635	545604250	/nfs/dbraw/zinc/60/42/50/545604250.db2.gz	GGCWVELNBWGCGS-SFHVURJKSA-N	1	1	355.486	2.301	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)C[C@H](C)O)c1C#N	ZINC000156301791	545616642	/nfs/dbraw/zinc/61/66/42/545616642.db2.gz	CFKIEBDRWFHYQJ-LBPRGKRZSA-N	1	1	358.417	2.356	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)C[C@H](C)O)c1C#N	ZINC000156301791	545616645	/nfs/dbraw/zinc/61/66/45/545616645.db2.gz	CFKIEBDRWFHYQJ-LBPRGKRZSA-N	1	1	358.417	2.356	20	30		FEEDMO
COc1ccc(OC)c(C[N@@H+](CCO)C[C@H](O)c2ccc(C#N)cc2)c1	ZINC000156336886	545618851	/nfs/dbraw/zinc/61/88/51/545618851.db2.gz	VHYABFAFRWPATB-IBGZPJMESA-N	1	1	356.422	2.103	20	30		FEEDMO
Cc1cccc(S(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1C#N	ZINC000156578296	545637519	/nfs/dbraw/zinc/63/75/19/545637519.db2.gz	HLAWSYPPIUIZHR-UHFFFAOYSA-N	1	1	370.478	2.205	20	30		FEEDMO
C[C@H](O)C[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1	ZINC000156725555	545652892	/nfs/dbraw/zinc/65/28/92/545652892.db2.gz	HLSAGCCPGXWKGN-HNNXBMFYSA-N	1	1	350.484	2.347	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000157375983	545734102	/nfs/dbraw/zinc/73/41/02/545734102.db2.gz	WIWILNFRXYWROM-AWEZNQCLSA-N	1	1	373.400	2.340	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccs3)CC2)cc1	ZINC000160321844	546029422	/nfs/dbraw/zinc/02/94/22/546029422.db2.gz	UOQDBUFWLPDFTO-KRWDZBQOSA-N	1	1	357.479	2.376	20	30		FEEDMO
C=CCC[C@@H](NC(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1)c1ccccc1	ZINC000160560894	546052937	/nfs/dbraw/zinc/05/29/37/546052937.db2.gz	ZRBQGNRMZPWASN-LJQANCHMSA-N	1	1	372.513	2.499	20	30		FEEDMO
C=CCC[C@@H](NC(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1)c1ccccc1	ZINC000160560894	546052942	/nfs/dbraw/zinc/05/29/42/546052942.db2.gz	ZRBQGNRMZPWASN-LJQANCHMSA-N	1	1	372.513	2.499	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccnc2N2CCN(C)CC2)cc1	ZINC000171563462	546213844	/nfs/dbraw/zinc/21/38/44/546213844.db2.gz	WQTRYJIXORRJOL-KRWDZBQOSA-N	1	1	365.481	2.414	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CCN2CCC[N@H+](C3CCCC3)CC2)cc1	ZINC000176251278	546424410	/nfs/dbraw/zinc/42/44/10/546424410.db2.gz	RHSBVUGLIKOHHC-UHFFFAOYSA-N	1	1	361.511	2.282	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000176553693	546460906	/nfs/dbraw/zinc/46/09/06/546460906.db2.gz	RCBLSWIKARYINV-CABCVRRESA-N	1	1	360.845	2.235	20	30		FEEDMO
O=C(C[N@@H+]1CCCN(CC#Cc2ccc(Cl)cc2)CC1)N1CCCC1	ZINC000177015302	546523885	/nfs/dbraw/zinc/52/38/85/546523885.db2.gz	VSXZAQXPTHMSJU-UHFFFAOYSA-N	1	1	359.901	2.322	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000177422126	546614883	/nfs/dbraw/zinc/61/48/83/546614883.db2.gz	CXVYYJZUCDYJCN-GOSISDBHSA-N	1	1	361.467	2.322	20	30		FEEDMO
C=CCC[C@@H](O)C[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1	ZINC000178045923	546729715	/nfs/dbraw/zinc/72/97/15/546729715.db2.gz	QTEDBTVOMWRECK-CQSZACIVSA-N	1	1	354.397	2.373	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1	ZINC000178448881	546796160	/nfs/dbraw/zinc/79/61/60/546796160.db2.gz	RNHOMRYPTWCYEQ-AWEZNQCLSA-N	1	1	356.470	2.432	20	30		FEEDMO
CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1	ZINC000179021529	546887649	/nfs/dbraw/zinc/88/76/49/546887649.db2.gz	DGBGQHJBVIOPCN-UHFFFAOYSA-N	1	1	372.469	2.084	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000180413690	547103977	/nfs/dbraw/zinc/10/39/77/547103977.db2.gz	ZZWVIJNWKLOPJQ-GDBMZVCRSA-N	1	1	354.454	2.266	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000180420632	547105384	/nfs/dbraw/zinc/10/53/84/547105384.db2.gz	YKDAMHFPZLMWBY-QGZVFWFLSA-N	1	1	360.506	2.033	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000181306710	547290650	/nfs/dbraw/zinc/29/06/50/547290650.db2.gz	VPCIJSXJJBGSPJ-QGZVFWFLSA-N	1	1	366.469	2.413	20	30		FEEDMO
C[N@H+](Cc1cccc(C#N)c1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1	ZINC000181959059	547413902	/nfs/dbraw/zinc/41/39/02/547413902.db2.gz	JDDXCVAVQGWNIP-LJQANCHMSA-N	1	1	358.463	2.301	20	30		FEEDMO
C[N@@H+](Cc1cccc(C#N)c1)C[C@@](C)(O)c1ccc(S(C)(=O)=O)cc1	ZINC000181959059	547413903	/nfs/dbraw/zinc/41/39/03/547413903.db2.gz	JDDXCVAVQGWNIP-LJQANCHMSA-N	1	1	358.463	2.301	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)CC1	ZINC000182603352	547520777	/nfs/dbraw/zinc/52/07/77/547520777.db2.gz	ZVULRKPHYLTBKE-UHFFFAOYSA-N	1	1	354.520	2.085	20	30		FEEDMO
C=C(C)COCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO	ZINC000182723390	547541352	/nfs/dbraw/zinc/54/13/52/547541352.db2.gz	JLTAHCKSJZDCSN-IBGZPJMESA-N	1	1	361.486	2.035	20	30		FEEDMO
CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182850127	547562049	/nfs/dbraw/zinc/56/20/49/547562049.db2.gz	ZGUXOSHTVDZBDI-AEFFLSMTSA-N	1	1	355.438	2.329	20	30		FEEDMO
CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182850127	547562051	/nfs/dbraw/zinc/56/20/51/547562051.db2.gz	ZGUXOSHTVDZBDI-AEFFLSMTSA-N	1	1	355.438	2.329	20	30		FEEDMO
CN(CCCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1Br	ZINC000182967657	547580997	/nfs/dbraw/zinc/58/09/97/547580997.db2.gz	XLAQGVVCJUOKKM-UHFFFAOYSA-N	1	1	365.319	2.390	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1cccc(Br)c1	ZINC000183915747	547738723	/nfs/dbraw/zinc/73/87/23/547738723.db2.gz	MUTWUKXLEPWVPN-IUODEOHRSA-N	1	1	368.275	2.080	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CC[C@@H](C)C1	ZINC000484873746	561307525	/nfs/dbraw/zinc/30/75/25/561307525.db2.gz	LOULUURZNQEBII-NVXWUHKLSA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CC[C@@H](C)C1	ZINC000484873746	561307526	/nfs/dbraw/zinc/30/75/26/561307526.db2.gz	LOULUURZNQEBII-NVXWUHKLSA-N	1	1	350.484	2.469	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000185859826	548046696	/nfs/dbraw/zinc/04/66/96/548046696.db2.gz	MJNWOIFFXCWORS-UHFFFAOYSA-N	1	1	363.483	2.206	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1	ZINC000186725606	548180813	/nfs/dbraw/zinc/18/08/13/548180813.db2.gz	TYLSTPXMJJYFDU-HXUWFJFHSA-N	1	1	366.509	2.218	20	30		FEEDMO
C=C(C)[C@H]([NH2+]CC(=O)N1CCC[C@H](NC(C)=O)C1)c1ccc(F)c(F)c1	ZINC000187754588	548262652	/nfs/dbraw/zinc/26/26/52/548262652.db2.gz	PDBLDRZWFNKLRI-KXBFYZLASA-N	1	1	365.424	2.299	20	30		FEEDMO
C=C(C)[C@H]([NH2+]CC(=O)NC1CCN(C(C)=O)CC1)c1ccc(F)c(F)c1	ZINC000187778663	548264329	/nfs/dbraw/zinc/26/43/29/548264329.db2.gz	QOGRWBWPYCXGEJ-IBGZPJMESA-N	1	1	365.424	2.299	20	30		FEEDMO
C#CCN(CC#C)C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2	ZINC000190437320	548324510	/nfs/dbraw/zinc/32/45/10/548324510.db2.gz	PQMAHUASQSODSK-INIZCTEOSA-N	1	1	351.450	2.080	20	30		FEEDMO
C=CCSCCNC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000194553344	548497904	/nfs/dbraw/zinc/49/79/04/548497904.db2.gz	CQLUGIACEUJGNM-INIZCTEOSA-N	1	1	362.499	2.177	20	30		FEEDMO
C=CCSCCNC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000194553344	548497905	/nfs/dbraw/zinc/49/79/05/548497905.db2.gz	CQLUGIACEUJGNM-INIZCTEOSA-N	1	1	362.499	2.177	20	30		FEEDMO
C=CCSCCNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000194566398	548499665	/nfs/dbraw/zinc/49/96/65/548499665.db2.gz	VGYIHXRDSXWUJS-UHFFFAOYSA-N	1	1	366.506	2.166	20	30		FEEDMO
C[C@H](CNC(=O)Cc1ccc(C#N)cc1)[NH+]1CCN(c2ccccc2)CC1	ZINC000194858999	548541537	/nfs/dbraw/zinc/54/15/37/548541537.db2.gz	CNKXNQOGVFAFAL-GOSISDBHSA-N	1	1	362.477	2.428	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21	ZINC000245523715	548938406	/nfs/dbraw/zinc/93/84/06/548938406.db2.gz	NAWYXHIMUBEXHO-MISYRCLQSA-N	1	1	352.482	2.470	20	30		FEEDMO
C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@@H]1CCCC[C@H]1O	ZINC000245534345	548940825	/nfs/dbraw/zinc/94/08/25/548940825.db2.gz	DUWXASXDPMDEKR-MAUKXSAKSA-N	1	1	367.453	2.165	20	30		FEEDMO
C[C@H]([NH2+][C@@H](C[S@@](C)=O)c1ccccc1)C(=O)NC1(C#N)CCCCC1	ZINC000245882219	549008960	/nfs/dbraw/zinc/00/89/60/549008960.db2.gz	NUBBXOSLWRGDKV-LMZHUWQESA-N	1	1	361.511	2.427	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1	ZINC000245970678	549029328	/nfs/dbraw/zinc/02/93/28/549029328.db2.gz	FLSJFAHDOGXALV-IAGOWNOFSA-N	1	1	364.534	2.363	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1	ZINC000245970678	549029331	/nfs/dbraw/zinc/02/93/31/549029331.db2.gz	FLSJFAHDOGXALV-IAGOWNOFSA-N	1	1	364.534	2.363	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000246004508	549034079	/nfs/dbraw/zinc/03/40/79/549034079.db2.gz	GWKSKWZNAZMXME-MJBXVCDLSA-N	1	1	360.433	2.118	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCCN(c4ccccc4)CC3)C2=O)cc1	ZINC000246006402	549035878	/nfs/dbraw/zinc/03/58/78/549035878.db2.gz	HIZHUWVCOBCSEY-FQEVSTJZSA-N	1	1	374.444	2.402	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCCN(c4ccccc4)CC3)C2=O)cc1	ZINC000246006402	549035885	/nfs/dbraw/zinc/03/58/85/549035885.db2.gz	HIZHUWVCOBCSEY-FQEVSTJZSA-N	1	1	374.444	2.402	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCO[C@H](C#N)C1	ZINC000246285438	549097435	/nfs/dbraw/zinc/09/74/35/549097435.db2.gz	AIGFPZHRSMOJAA-JFRXWTBNSA-N	1	1	356.470	2.077	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1	ZINC000246291447	549098642	/nfs/dbraw/zinc/09/86/42/549098642.db2.gz	OWCXWLOJHJGHAT-KBAYOESNSA-N	1	1	357.454	2.026	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000246498420	549147666	/nfs/dbraw/zinc/14/76/66/549147666.db2.gz	XQYLXUVOCQYPMR-KGLIPLIRSA-N	1	1	353.875	2.459	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)[N@@H+]1CCc2ccccc2C1	ZINC000489133268	561404155	/nfs/dbraw/zinc/40/41/55/561404155.db2.gz	SMZNBFFEGBQGTR-AWEZNQCLSA-N	1	1	373.453	2.422	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)[N@H+]1CCc2ccccc2C1	ZINC000489133268	561404156	/nfs/dbraw/zinc/40/41/56/561404156.db2.gz	SMZNBFFEGBQGTR-AWEZNQCLSA-N	1	1	373.453	2.422	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000248605464	549467001	/nfs/dbraw/zinc/46/70/01/549467001.db2.gz	WBZQTVLMIWNLRC-LZQZEXGQSA-N	1	1	359.470	2.209	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000248605463	549467194	/nfs/dbraw/zinc/46/71/94/549467194.db2.gz	WBZQTVLMIWNLRC-AYOQOUSVSA-N	1	1	359.470	2.209	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)cc1	ZINC000248906283	549525567	/nfs/dbraw/zinc/52/55/67/549525567.db2.gz	UWSWFQFMVLZNTM-DNVCBOLYSA-N	1	1	355.463	2.357	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1	ZINC000249404572	549588251	/nfs/dbraw/zinc/58/82/51/549588251.db2.gz	UFFLMZAOJBIFLS-QZTJIDSGSA-N	1	1	372.513	2.099	20	30		FEEDMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CCC(C#N)CC2)c1	ZINC000489735022	561417953	/nfs/dbraw/zinc/41/79/53/561417953.db2.gz	DQJWQSPKPJLHSQ-UHFFFAOYSA-N	1	1	374.485	2.089	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000253357943	549683475	/nfs/dbraw/zinc/68/34/75/549683475.db2.gz	JNWYZWGJWRBQAQ-HUUCEWRRSA-N	1	1	372.469	2.132	20	30		FEEDMO
CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@@H](N2CC=CC2)C1	ZINC000262773684	549848670	/nfs/dbraw/zinc/84/86/70/549848670.db2.gz	INWGPZAQTZRJMV-ZWKOTPCHSA-N	1	1	354.498	2.464	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1)C1CC1	ZINC000263778297	549935359	/nfs/dbraw/zinc/93/53/59/549935359.db2.gz	XXEQCXLTOBAZBE-HXUWFJFHSA-N	1	1	372.444	2.285	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1	ZINC000264735123	550000791	/nfs/dbraw/zinc/00/07/91/550000791.db2.gz	QIEOVSIBOGYLBF-IRXDYDNUSA-N	1	1	356.470	2.088	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000264790730	550001443	/nfs/dbraw/zinc/00/14/43/550001443.db2.gz	VZXDLOBJWIQVPK-GOEBONIOSA-N	1	1	372.494	2.374	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)C1(S(C)(=O)=O)CCCC1)C(C)C	ZINC000264919198	550003664	/nfs/dbraw/zinc/00/36/64/550003664.db2.gz	PGLMTQQNROEPID-MRXNPFEDSA-N	1	1	356.532	2.159	20	30		FEEDMO
C[C@@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1nc(C2CC2)no1	ZINC000265552815	550011534	/nfs/dbraw/zinc/01/15/34/550011534.db2.gz	ZIDDUGYRYVMAHQ-JTQLQIEISA-N	1	1	353.423	2.239	20	30		FEEDMO
C=CCc1cc(C(=O)NCC[N@H+](C)CCCOC)cc(OC)c1OC	ZINC000266158886	550018048	/nfs/dbraw/zinc/01/80/48/550018048.db2.gz	NVVYHFDSQUAMKQ-UHFFFAOYSA-N	1	1	350.459	2.130	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000267655872	550034334	/nfs/dbraw/zinc/03/43/34/550034334.db2.gz	COUJHGGHOSWYAJ-INIZCTEOSA-N	1	1	369.387	2.077	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000269076951	550151988	/nfs/dbraw/zinc/15/19/88/550151988.db2.gz	GXIQRRXCCXDYHN-AWEZNQCLSA-N	1	1	362.861	2.244	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1	ZINC000269308581	550179409	/nfs/dbraw/zinc/17/94/09/550179409.db2.gz	HDYNLXWTCUADGW-UHFFFAOYSA-N	1	1	368.441	2.040	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1	ZINC000269308581	550179411	/nfs/dbraw/zinc/17/94/11/550179411.db2.gz	HDYNLXWTCUADGW-UHFFFAOYSA-N	1	1	368.441	2.040	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000269534614	550204566	/nfs/dbraw/zinc/20/45/66/550204566.db2.gz	AAGIFCTXKYNMEP-UHFFFAOYSA-N	1	1	359.817	2.204	20	30		FEEDMO
NC(=[NH+]OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)CCO2	ZINC000269850888	550230637	/nfs/dbraw/zinc/23/06/37/550230637.db2.gz	FVVPVVUNZQQOGI-UHFFFAOYSA-N	1	1	371.349	2.233	20	30		FEEDMO
C#CC[C@H](NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1	ZINC000270438203	550272578	/nfs/dbraw/zinc/27/25/78/550272578.db2.gz	JJDFLZSIZHVQEJ-VQTJNVASSA-N	1	1	356.514	2.322	20	30		FEEDMO
N#Cc1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1	ZINC000270572719	550284713	/nfs/dbraw/zinc/28/47/13/550284713.db2.gz	BUPDJVMQBKEWNS-LEWJYISDSA-N	1	1	363.461	2.100	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2Br)CC1	ZINC000271996978	550415192	/nfs/dbraw/zinc/41/51/92/550415192.db2.gz	GLFIOEOQQGIZSH-AWEZNQCLSA-N	1	1	364.287	2.417	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000272937470	550477423	/nfs/dbraw/zinc/47/74/23/550477423.db2.gz	NJYDDOZEVXERSL-HIFRSBDPSA-N	1	1	372.444	2.405	20	30		FEEDMO
N#Cc1ccnc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-]	ZINC000273227537	550490478	/nfs/dbraw/zinc/49/04/78/550490478.db2.gz	RFRTUFOXQLKOON-QGZVFWFLSA-N	1	1	367.409	2.430	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000273252984	550491913	/nfs/dbraw/zinc/49/19/13/550491913.db2.gz	VFXJRCPFIFDAEC-QGZVFWFLSA-N	1	1	353.382	2.040	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000274701003	550549909	/nfs/dbraw/zinc/54/99/09/550549909.db2.gz	YLAKRUHLYQNUSK-UHFFFAOYSA-N	1	1	361.389	2.292	20	30		FEEDMO
CN(C)C1(C#N)CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1	ZINC000275009377	550570107	/nfs/dbraw/zinc/57/01/07/550570107.db2.gz	DWZXJZWESUEBGL-ZWKOTPCHSA-N	1	1	355.486	2.061	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1Cl	ZINC000277396208	550665441	/nfs/dbraw/zinc/66/54/41/550665441.db2.gz	AZRAOPLWPUINII-OAHLLOKOSA-N	1	1	360.845	2.283	20	30		FEEDMO
C[N@@H+]1Cc2ccc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)cc2C1	ZINC000277574106	550686442	/nfs/dbraw/zinc/68/64/42/550686442.db2.gz	QUKXPPHVQIIVDL-UHFFFAOYSA-N	1	1	360.417	2.248	20	30		FEEDMO
C[N@H+]1Cc2ccc(NC(=O)C(=O)NC3(c4cccc(C#N)c4)CC3)cc2C1	ZINC000277574106	550686443	/nfs/dbraw/zinc/68/64/43/550686443.db2.gz	QUKXPPHVQIIVDL-UHFFFAOYSA-N	1	1	360.417	2.248	20	30		FEEDMO
Cc1cnc(N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)s1	ZINC000494993694	561480448	/nfs/dbraw/zinc/48/04/48/561480448.db2.gz	BYZHLUCZHZFATG-UHFFFAOYSA-N	1	1	355.467	2.474	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000278302162	550770745	/nfs/dbraw/zinc/77/07/45/550770745.db2.gz	SMYMZGGDGDYDJL-QXAKKESOSA-N	1	1	371.481	2.304	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNC(=O)/C=C/c2ccc(OCC#N)cc2)CCCO1	ZINC000278682816	550811024	/nfs/dbraw/zinc/81/10/24/550811024.db2.gz	ULVJGBFHLYIORE-NADMHLTPSA-N	1	1	357.454	2.219	20	30		FEEDMO
N#Cc1cccc(-c2cc(C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)on2)c1	ZINC000278909802	550834957	/nfs/dbraw/zinc/83/49/57/550834957.db2.gz	ABFJMJBRRASCST-MRXNPFEDSA-N	1	1	366.421	2.008	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000278918083	550835801	/nfs/dbraw/zinc/83/58/01/550835801.db2.gz	UNZKSNJBJPLWRZ-CVEARBPZSA-N	1	1	357.454	2.037	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000279177284	550862043	/nfs/dbraw/zinc/86/20/43/550862043.db2.gz	GKEKDOCWDKHCDH-IBGZPJMESA-N	1	1	365.481	2.322	20	30		FEEDMO
C=C(Br)C[NH+]1CCC(n2cnc(C(=O)OCC)c2N)CC1	ZINC000279285995	550873455	/nfs/dbraw/zinc/87/34/55/550873455.db2.gz	OVUWLYPQGMXEJR-UHFFFAOYSA-N	1	1	357.252	2.188	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCn3c(Br)cnc3C2)cc1	ZINC000279313351	550876733	/nfs/dbraw/zinc/87/67/33/550876733.db2.gz	RODUSSHRHOWFOM-UHFFFAOYSA-N	1	1	374.242	2.362	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCn3c(Br)cnc3C2)cc1	ZINC000279313351	550876734	/nfs/dbraw/zinc/87/67/34/550876734.db2.gz	RODUSSHRHOWFOM-UHFFFAOYSA-N	1	1	374.242	2.362	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000279356272	550881208	/nfs/dbraw/zinc/88/12/08/550881208.db2.gz	GSSTTYVJKOOAOD-IBGZPJMESA-N	1	1	353.426	2.244	20	30		FEEDMO
C=CCOc1cccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1	ZINC000279377899	550883186	/nfs/dbraw/zinc/88/31/86/550883186.db2.gz	ITHNWMAZHKXHHG-KRWDZBQOSA-N	1	1	350.484	2.251	20	30		FEEDMO
C=CCOc1cccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1	ZINC000279377899	550883187	/nfs/dbraw/zinc/88/31/87/550883187.db2.gz	ITHNWMAZHKXHHG-KRWDZBQOSA-N	1	1	350.484	2.251	20	30		FEEDMO
C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000279806091	550930753	/nfs/dbraw/zinc/93/07/53/550930753.db2.gz	POVNPGJHLJBMGI-QAPCUYQASA-N	1	1	367.453	2.308	20	30		FEEDMO
C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000279806091	550930755	/nfs/dbraw/zinc/93/07/55/550930755.db2.gz	POVNPGJHLJBMGI-QAPCUYQASA-N	1	1	367.453	2.308	20	30		FEEDMO
CN(C(=O)C[N@@H+](C)[C@H](CC(N)=O)c1ccccc1)C1(C#N)CCCCC1	ZINC000280239449	550973845	/nfs/dbraw/zinc/97/38/45/550973845.db2.gz	AVCAZOJVKPELBW-QGZVFWFLSA-N	1	1	356.470	2.220	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC=CCC1	ZINC000280459649	550996210	/nfs/dbraw/zinc/99/62/10/550996210.db2.gz	OBUCUFBOWYCXCK-HNNXBMFYSA-N	1	1	372.494	2.397	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC=CCC1	ZINC000280459649	550996212	/nfs/dbraw/zinc/99/62/12/550996212.db2.gz	OBUCUFBOWYCXCK-HNNXBMFYSA-N	1	1	372.494	2.397	20	30		FEEDMO
CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cc(C#N)oc1C	ZINC000280753146	551028551	/nfs/dbraw/zinc/02/85/51/551028551.db2.gz	MOAXMKLPHOPSQZ-OAHLLOKOSA-N	1	1	361.442	2.339	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCN(C)C(=O)OC(C)(C)C	ZINC000281280662	551080606	/nfs/dbraw/zinc/08/06/06/551080606.db2.gz	LXTYFQOROFXJLO-HNNXBMFYSA-N	1	1	374.489	2.116	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCN(C)C(=O)OC(C)(C)C	ZINC000281280662	551080607	/nfs/dbraw/zinc/08/06/07/551080607.db2.gz	LXTYFQOROFXJLO-HNNXBMFYSA-N	1	1	374.489	2.116	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)C1=O	ZINC000281282749	551081104	/nfs/dbraw/zinc/08/11/04/551081104.db2.gz	IUHGUVAUZBQLCY-IHPCNDPISA-N	1	1	358.482	2.160	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2cc(C)ccc2Cl)C1=O	ZINC000281310674	551083389	/nfs/dbraw/zinc/08/33/89/551083389.db2.gz	KPCPNNOWFCROHD-GOEBONIOSA-N	1	1	352.862	2.107	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)C1=O	ZINC000282072523	551176583	/nfs/dbraw/zinc/17/65/83/551176583.db2.gz	SXAYOUWRGBOKDZ-YJBOKZPZSA-N	1	1	374.460	2.446	20	30		FEEDMO
N#CC1(CCC[NH+]2CCN(C(=O)Cc3ccccc3)CC2)CCOCC1	ZINC000282126197	551183752	/nfs/dbraw/zinc/18/37/52/551183752.db2.gz	YGFNNDUCBUGNST-UHFFFAOYSA-N	1	1	355.482	2.474	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CCC(=O)Nc2ccccc2C#N)O1	ZINC000282348791	551215299	/nfs/dbraw/zinc/21/52/99/551215299.db2.gz	CLQRKYMBYDMHLX-PILAGYSTSA-N	1	1	371.437	2.070	20	30		FEEDMO
C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[NH+](CCOCC)CC1	ZINC000283239546	551334700	/nfs/dbraw/zinc/33/47/00/551334700.db2.gz	KNLQBOSWGFXMTF-UHFFFAOYSA-N	1	1	370.501	2.383	20	30		FEEDMO
CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000283481578	551373856	/nfs/dbraw/zinc/37/38/56/551373856.db2.gz	HUIRRYMRPSVCEE-NSHDSACASA-N	1	1	372.288	2.035	20	30		FEEDMO
CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000283481578	551373858	/nfs/dbraw/zinc/37/38/58/551373858.db2.gz	HUIRRYMRPSVCEE-NSHDSACASA-N	1	1	372.288	2.035	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000284117416	551486921	/nfs/dbraw/zinc/48/69/21/551486921.db2.gz	CPUOVDRCZGVCTH-RTBURBONSA-N	1	1	368.481	2.040	20	30		FEEDMO
CC[C@@H](CC#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000285354110	551743047	/nfs/dbraw/zinc/74/30/47/551743047.db2.gz	DNYPMJXFROIBJR-ZCNNSNEGSA-N	1	1	365.481	2.444	20	30		FEEDMO
N#CCC[C@@H](C#N)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000286072025	551845616	/nfs/dbraw/zinc/84/56/16/551845616.db2.gz	RXWFGYUZKQCYPQ-SFTDATJTSA-N	1	1	351.498	2.322	20	30		FEEDMO
CC#CCC[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1	ZINC000287850749	552054806	/nfs/dbraw/zinc/05/48/06/552054806.db2.gz	RDHFCDIIADGFHX-UHFFFAOYSA-N	1	1	357.479	2.345	20	30		FEEDMO
CC#CCC[N@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1	ZINC000287850749	552054808	/nfs/dbraw/zinc/05/48/08/552054808.db2.gz	RDHFCDIIADGFHX-UHFFFAOYSA-N	1	1	357.479	2.345	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccccc1O[C@H](C)C#N	ZINC000288866303	552226919	/nfs/dbraw/zinc/22/69/19/552226919.db2.gz	QHBLISDHOJDMJX-LSDHHAIUSA-N	1	1	360.458	2.153	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)C1=O	ZINC000500015347	561564081	/nfs/dbraw/zinc/56/40/81/561564081.db2.gz	PHMBULARWRWZDF-GDBMZVCRSA-N	1	1	356.388	2.328	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)CCOc2ccc(C(=O)OC)cc2Cl)C1=O	ZINC000500020037	561564103	/nfs/dbraw/zinc/56/41/03/561564103.db2.gz	PGVKWDIAMWYKTM-OAHLLOKOSA-N	1	1	366.845	2.224	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)CCOc2ccc(C(=O)OC)cc2Cl)C1=O	ZINC000500020037	561564104	/nfs/dbraw/zinc/56/41/04/561564104.db2.gz	PGVKWDIAMWYKTM-OAHLLOKOSA-N	1	1	366.845	2.224	20	30		FEEDMO
C=CCn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](C2CCCC2)CC1	ZINC000289596590	552347039	/nfs/dbraw/zinc/34/70/39/552347039.db2.gz	IIPULKXLZMCPDN-UHFFFAOYSA-N	1	1	355.490	2.319	20	30		FEEDMO
CC(=O)Nc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1	ZINC000289735382	552369766	/nfs/dbraw/zinc/36/97/66/552369766.db2.gz	GWRVYDAXFUDSNK-CYBMUJFWSA-N	1	1	372.450	2.036	20	30		FEEDMO
CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nc(C)cs1	ZINC000289784650	552377772	/nfs/dbraw/zinc/37/77/72/552377772.db2.gz	JFQIETYKUWPRDO-ZDUSSCGKSA-N	1	1	350.469	2.233	20	30		FEEDMO
C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(F)c(F)c1	ZINC000290127214	552431324	/nfs/dbraw/zinc/43/13/24/552431324.db2.gz	ZEBCTEHIIONUPS-NSHDSACASA-N	1	1	351.378	2.356	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F	ZINC000290464526	552483064	/nfs/dbraw/zinc/48/30/64/552483064.db2.gz	MRIIRKLZSSYZFT-KRWDZBQOSA-N	1	1	366.396	2.027	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000290859186	552551187	/nfs/dbraw/zinc/55/11/87/552551187.db2.gz	RRXONABOZKOOQJ-HIFRSBDPSA-N	1	1	372.444	2.405	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@](CO)(c4ccccc4)C3)C2=O)cc1	ZINC000291898667	552673020	/nfs/dbraw/zinc/67/30/20/552673020.db2.gz	RBAYAXLORPXEKN-UNMCSNQZSA-N	1	1	361.445	2.300	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)COCc3ccccc3F)C2)nc1	ZINC000292096137	552693380	/nfs/dbraw/zinc/69/33/80/552693380.db2.gz	FXPICIPBWBOWPO-ZWKOTPCHSA-N	1	1	371.412	2.123	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292601888	552741995	/nfs/dbraw/zinc/74/19/95/552741995.db2.gz	NCYGXYVRMASBJM-ZWKOTPCHSA-N	1	1	371.485	2.094	20	30		FEEDMO
COC(=O)c1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n(C)c1C	ZINC000292854031	552765119	/nfs/dbraw/zinc/76/51/19/552765119.db2.gz	UNHLDGZJPHJUKO-INIZCTEOSA-N	1	1	354.410	2.040	20	30		FEEDMO
COC(=O)c1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n(C)c1C	ZINC000292854031	552765120	/nfs/dbraw/zinc/76/51/20/552765120.db2.gz	UNHLDGZJPHJUKO-INIZCTEOSA-N	1	1	354.410	2.040	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000293538230	552833411	/nfs/dbraw/zinc/83/34/11/552833411.db2.gz	XOPNLDCUHIIBMT-NVXWUHKLSA-N	1	1	369.469	2.005	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000501638566	561602651	/nfs/dbraw/zinc/60/26/51/561602651.db2.gz	KRGZBVUYPBBLMT-GOSISDBHSA-N	1	1	373.497	2.217	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1	ZINC000293989876	552873356	/nfs/dbraw/zinc/87/33/56/552873356.db2.gz	NUOWZOOXIQETOP-SFHVURJKSA-N	1	1	370.497	2.310	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)[N@H+]1CCC[C@@H](C)C1	ZINC000294338694	552898112	/nfs/dbraw/zinc/89/81/12/552898112.db2.gz	JRMVCEVEORUYQX-ZIAGYGMSSA-N	1	1	353.463	2.237	20	30		FEEDMO
C#CCCOc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1	ZINC000294720895	552929327	/nfs/dbraw/zinc/92/93/27/552929327.db2.gz	VCYFJSMLAHKGTR-FQEVSTJZSA-N	1	1	369.509	2.331	20	30		FEEDMO
C[C@H]1CN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@H+](C2CC2)C1	ZINC000295260501	552977654	/nfs/dbraw/zinc/97/76/54/552977654.db2.gz	FZBCHMLQSKTCJN-NVXWUHKLSA-N	1	1	370.472	2.466	20	30		FEEDMO
COc1cccc([C@@H](CNS(=O)(=O)CC(C)(C)CC#N)[NH+](C)C)c1	ZINC000295276967	552980713	/nfs/dbraw/zinc/98/07/13/552980713.db2.gz	KDSOWZXZINJZSD-MRXNPFEDSA-N	1	1	353.488	2.157	20	30		FEEDMO
N#Cc1cc(Br)cnc1N1CCN(c2ccc(N)[nH+]c2)CC1	ZINC000295493168	553015651	/nfs/dbraw/zinc/01/56/51/553015651.db2.gz	KAUMXZQOVAFYFF-UHFFFAOYSA-N	1	1	359.231	2.020	20	30		FEEDMO
CC(C)(C[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1)C(N)=O	ZINC000295513832	553018998	/nfs/dbraw/zinc/01/89/98/553018998.db2.gz	IBTYMYCODPUGES-WMZOPIPTSA-N	1	1	368.481	2.277	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)cc1	ZINC000295623332	553035601	/nfs/dbraw/zinc/03/56/01/553035601.db2.gz	ATLOJGGGPORLAE-UHFFFAOYSA-N	1	1	362.393	2.445	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1	ZINC000295735195	553052335	/nfs/dbraw/zinc/05/23/35/553052335.db2.gz	WHNABQPFYPMDJI-GJZGRUSLSA-N	1	1	356.470	2.499	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1	ZINC000295735195	553052337	/nfs/dbraw/zinc/05/23/37/553052337.db2.gz	WHNABQPFYPMDJI-GJZGRUSLSA-N	1	1	356.470	2.499	20	30		FEEDMO
C[C@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@H+](C2CC2)C1	ZINC000295945928	553079399	/nfs/dbraw/zinc/07/93/99/553079399.db2.gz	FAKXIKDERDEINX-GFCCVEGCSA-N	1	1	360.845	2.093	20	30		FEEDMO
N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1	ZINC000296567979	553181029	/nfs/dbraw/zinc/18/10/29/553181029.db2.gz	SRJWEIPIDKRWRY-CYBMUJFWSA-N	1	1	368.384	2.128	20	30		FEEDMO
Cc1nsc(NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1C#N	ZINC000297465111	553295960	/nfs/dbraw/zinc/29/59/60/553295960.db2.gz	QNHURBOMGGBJOE-UHFFFAOYSA-N	1	1	371.466	2.477	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21	ZINC000297484317	553298455	/nfs/dbraw/zinc/29/84/55/553298455.db2.gz	MUUIWYAKUJCMPE-AABGKKOBSA-N	1	1	355.482	2.156	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1	ZINC000503271240	561638656	/nfs/dbraw/zinc/63/86/56/561638656.db2.gz	UXBLCPUIKYVMRN-IBGZPJMESA-N	1	1	351.450	2.380	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000298311961	553411090	/nfs/dbraw/zinc/41/10/90/553411090.db2.gz	OOQOVMNRIIGWFU-MRXNPFEDSA-N	1	1	369.490	2.424	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1	ZINC000298311961	553411091	/nfs/dbraw/zinc/41/10/91/553411091.db2.gz	OOQOVMNRIIGWFU-MRXNPFEDSA-N	1	1	369.490	2.424	20	30		FEEDMO
N#Cc1ccc(Oc2cccc(NC(=O)C(=O)NCC[NH+]3CCC3)c2)cc1	ZINC000503640273	561645999	/nfs/dbraw/zinc/64/59/99/561645999.db2.gz	XPZINQAFRQGMCT-UHFFFAOYSA-N	1	1	364.405	2.111	20	30		FEEDMO
Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(C)c1	ZINC000299114053	553517225	/nfs/dbraw/zinc/51/72/25/553517225.db2.gz	ZNMYYHIQMXDLMD-LJQANCHMSA-N	1	1	366.465	2.132	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CC[N@@H+]1C1CCCC1	ZINC000602137916	553525909	/nfs/dbraw/zinc/52/59/09/553525909.db2.gz	UKWJGIVKTMCOQH-MRXNPFEDSA-N	1	1	350.426	2.403	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CC[N@H+]1C1CCCC1	ZINC000602137916	553525910	/nfs/dbraw/zinc/52/59/10/553525910.db2.gz	UKWJGIVKTMCOQH-MRXNPFEDSA-N	1	1	350.426	2.403	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)COc2ccccc2C#N)C[C@@H](C)O1	ZINC000299279206	553541538	/nfs/dbraw/zinc/54/15/38/553541538.db2.gz	BKKDXCWURLDNGG-JFIYKMOQSA-N	1	1	357.454	2.037	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(-c2cccc(Cl)c2)on1	ZINC000299446936	553564428	/nfs/dbraw/zinc/56/44/28/553564428.db2.gz	WHOSBSGUCRZMQK-UHFFFAOYSA-N	1	1	374.828	2.005	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)[nH]1	ZINC000602885479	553659447	/nfs/dbraw/zinc/65/94/47/553659447.db2.gz	FKDDYNLYLKAZIN-KRWDZBQOSA-N	1	1	352.442	2.072	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)[nH]1	ZINC000602885479	553659450	/nfs/dbraw/zinc/65/94/50/553659450.db2.gz	FKDDYNLYLKAZIN-KRWDZBQOSA-N	1	1	352.442	2.072	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+]1CCCN(c2nc3c(cc2C#N)CCCC3)CC1	ZINC000301883296	553688342	/nfs/dbraw/zinc/68/83/42/553688342.db2.gz	LBUJMKILYIEAHM-UHFFFAOYSA-N	1	1	369.513	2.213	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(c2nc3c(cc2C#N)CCCC3)CC1	ZINC000301883296	553688344	/nfs/dbraw/zinc/68/83/44/553688344.db2.gz	LBUJMKILYIEAHM-UHFFFAOYSA-N	1	1	369.513	2.213	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)ncc1C#N	ZINC000603115118	553711382	/nfs/dbraw/zinc/71/13/82/553711382.db2.gz	AYBWZTKHVXEQGT-BFYDXBDKSA-N	1	1	357.458	2.367	20	30		FEEDMO
Cc1nnc(N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C#N)c1C	ZINC000302477321	553717959	/nfs/dbraw/zinc/71/79/59/553717959.db2.gz	VPKWWSWMBBYQMG-FQEVSTJZSA-N	1	1	351.454	2.038	20	30		FEEDMO
C#CCNC(=O)C[N@H+]1CCCN(c2cc(C(C)(C)C)nc(C(C)C)n2)CC1	ZINC000302881889	553739887	/nfs/dbraw/zinc/73/98/87/553739887.db2.gz	IKHYIDWVCYVLEA-UHFFFAOYSA-N	1	1	371.529	2.159	20	30		FEEDMO
C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C(C)(C)C)nc(C(C)C)n2)CC1	ZINC000302881889	553739889	/nfs/dbraw/zinc/73/98/89/553739889.db2.gz	IKHYIDWVCYVLEA-UHFFFAOYSA-N	1	1	371.529	2.159	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1C#N	ZINC000311937120	553755627	/nfs/dbraw/zinc/75/56/27/553755627.db2.gz	HGPNOWXARKUYRE-BEFAXECRSA-N	1	1	370.478	2.203	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1C#N	ZINC000311937120	553755629	/nfs/dbraw/zinc/75/56/29/553755629.db2.gz	HGPNOWXARKUYRE-BEFAXECRSA-N	1	1	370.478	2.203	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1C#N	ZINC000311937122	553755695	/nfs/dbraw/zinc/75/56/95/553755695.db2.gz	HGPNOWXARKUYRE-HNAYVOBHSA-N	1	1	370.478	2.203	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1C#N	ZINC000311937122	553755697	/nfs/dbraw/zinc/75/56/97/553755697.db2.gz	HGPNOWXARKUYRE-HNAYVOBHSA-N	1	1	370.478	2.203	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCC[C@@H]1CCCO1	ZINC000328631693	553799479	/nfs/dbraw/zinc/79/94/79/553799479.db2.gz	RICFJTWNBWOJRB-RYQLBKOJSA-N	1	1	363.506	2.218	20	30		FEEDMO
CNC(=O)Cc1noc(CN2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1	ZINC000328645739	553801772	/nfs/dbraw/zinc/80/17/72/553801772.db2.gz	GNWOCAINAWDISF-CYBMUJFWSA-N	1	1	358.446	2.111	20	30		FEEDMO
CSC[C@@H](C)C(=O)N1CCC(C(=O)NCC2=CC[N@@H+](C)CC2)CC1	ZINC000328650005	553802690	/nfs/dbraw/zinc/80/26/90/553802690.db2.gz	AULUSIPCCMKAQG-CQSZACIVSA-N	1	1	353.532	2.443	20	30		FEEDMO
O=C(N[C@@H]1CCCC12CCOCC2)N1CCCC[C@@H]1C[NH+]1CCOCC1	ZINC000328698978	553809031	/nfs/dbraw/zinc/80/90/31/553809031.db2.gz	HXWZJBHRJDWTNV-QZTJIDSGSA-N	1	1	365.518	2.436	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)C1=O	ZINC000328779017	553821132	/nfs/dbraw/zinc/82/11/32/553821132.db2.gz	IUIMAVHPHBNTBQ-JXXFODFXSA-N	1	1	356.470	2.163	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000328844437	553831313	/nfs/dbraw/zinc/83/13/13/553831313.db2.gz	VDSQNIDRACGQLN-BVUBDWEXSA-N	1	1	362.426	2.254	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C	ZINC000328890974	553839741	/nfs/dbraw/zinc/83/97/41/553839741.db2.gz	SDMKYDBXDSYAKY-IIDMSEBBSA-N	1	1	361.490	2.161	20	30		FEEDMO
CCn1c2ccc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)cc2[nH]c(=O)c1=O	ZINC000328939566	553848973	/nfs/dbraw/zinc/84/89/73/553848973.db2.gz	RZFHPSXAEUNGTN-UKRRQHHQSA-N	1	1	356.426	2.053	20	30		FEEDMO
CNC(=O)c1ccn([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n1	ZINC000328993487	553861001	/nfs/dbraw/zinc/86/10/01/553861001.db2.gz	TVRNYAFQIYXUAE-ARFHVFGLSA-N	1	1	361.490	2.415	20	30		FEEDMO
CNC(=O)c1ccn([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCC[C@@H]3C)C2)n1	ZINC000328993487	553861003	/nfs/dbraw/zinc/86/10/03/553861003.db2.gz	TVRNYAFQIYXUAE-ARFHVFGLSA-N	1	1	361.490	2.415	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1COc2cc(OC)ccc2C1	ZINC000329015127	553865156	/nfs/dbraw/zinc/86/51/56/553865156.db2.gz	PZSAIURKDUPOEC-ZACQAIPSSA-N	1	1	359.470	2.471	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@]2(C)O)C1	ZINC000329084658	553877638	/nfs/dbraw/zinc/87/76/38/553877638.db2.gz	TXBGTVQEVRAJDY-IMBTUZDBSA-N	1	1	353.507	2.027	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1	ZINC000329122276	553883964	/nfs/dbraw/zinc/88/39/64/553883964.db2.gz	QYUNQXLCGDFGPP-CZUORRHYSA-N	1	1	356.430	2.425	20	30		FEEDMO
C[C@H](CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1)[N@H+]1CCc2ccccc2C1	ZINC000329129130	553885155	/nfs/dbraw/zinc/88/51/55/553885155.db2.gz	VUROPDCMVVHUIT-BSIFCXSSSA-N	1	1	373.497	2.275	20	30		FEEDMO
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1	ZINC000329138064	553887332	/nfs/dbraw/zinc/88/73/32/553887332.db2.gz	HZHPXVNDGVGOGR-SLYNCCJLSA-N	1	1	374.481	2.479	20	30		FEEDMO
CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)[N@@H+](C)C1	ZINC000329364663	553933328	/nfs/dbraw/zinc/93/33/28/553933328.db2.gz	JPEQZCUNKZRSDP-TTZDDIAXSA-N	1	1	354.495	2.085	20	30		FEEDMO
C[C@H](O)CN1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)C1	ZINC000329396176	553938280	/nfs/dbraw/zinc/93/82/80/553938280.db2.gz	VZRJPSVQVKKLAT-AOIWGVFYSA-N	1	1	366.550	2.084	20	30		FEEDMO
C[C@H](O)CN1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)C1	ZINC000329396176	553938284	/nfs/dbraw/zinc/93/82/84/553938284.db2.gz	VZRJPSVQVKKLAT-AOIWGVFYSA-N	1	1	366.550	2.084	20	30		FEEDMO
O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1csc(=NC2CC2)[nH]1	ZINC000329438371	553947156	/nfs/dbraw/zinc/94/71/56/553947156.db2.gz	KFJVWJIQNAYOBP-UHFFFAOYSA-N	1	1	364.515	3.057	20	30		FEEDMO
CC(C)c1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC[C@H](c3[nH]cc[nH+]3)C1)CC2	ZINC000329440741	553947426	/nfs/dbraw/zinc/94/74/26/553947426.db2.gz	MZBQUXXIXWGALI-UONOGXRCSA-N	1	1	357.462	2.233	20	30		FEEDMO
CN1C[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CCC1=O	ZINC000329460892	553951208	/nfs/dbraw/zinc/95/12/08/553951208.db2.gz	SEFBGFOUBSVERA-QZTJIDSGSA-N	1	1	358.486	2.166	20	30		FEEDMO
Cc1cc(N2CCC[C@@H](NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)n(C)n1	ZINC000329480380	553954331	/nfs/dbraw/zinc/95/43/31/553954331.db2.gz	CXMXKWPPIRPUCU-HRBLRVMOSA-N	1	1	374.533	2.168	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)N[C@H]2CCO[C@@H]2c2ccc(OC)nc2)C[C@@H]1C	ZINC000329482553	553954896	/nfs/dbraw/zinc/95/48/96/553954896.db2.gz	PYWZQUIYMKOHBF-ILXVDBEPSA-N	1	1	362.474	2.249	20	30		FEEDMO
Nc1noc(CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1	ZINC000329485052	553955845	/nfs/dbraw/zinc/95/58/45/553955845.db2.gz	SNOZJZSSNGVEIO-ZDUSSCGKSA-N	1	1	358.446	2.658	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@]2(C)CCO[C@@H]2C2CC2)C[C@@H](C)O1	ZINC000329496277	553957768	/nfs/dbraw/zinc/95/77/68/553957768.db2.gz	DTPJOIDPPYSGQW-NPNMTCQASA-N	1	1	353.507	2.335	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n[nH]1	ZINC000329535354	553963376	/nfs/dbraw/zinc/96/33/76/553963376.db2.gz	LIOPKEQYZYPTCR-SJPCQFCGSA-N	1	1	360.506	2.158	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1CC=CCC1	ZINC000329571579	553969322	/nfs/dbraw/zinc/96/93/22/553969322.db2.gz	QSKMQRBEQNXSDT-MSOLQXFVSA-N	1	1	357.502	2.452	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2ccc3c(C)nn(C)c3c2)C[C@@H]1[NH+]1CCOCC1	ZINC000329610434	553975995	/nfs/dbraw/zinc/97/59/95/553975995.db2.gz	JKKPIWBLYWUZEO-KXBFYZLASA-N	1	1	371.485	2.470	20	30		FEEDMO
COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)cc1OC	ZINC000329620955	553978489	/nfs/dbraw/zinc/97/84/89/553978489.db2.gz	GVMWCIQRCLRALN-GDBMZVCRSA-N	1	1	363.458	2.087	20	30		FEEDMO
COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)cc1OC	ZINC000329620955	553978487	/nfs/dbraw/zinc/97/84/87/553978487.db2.gz	GVMWCIQRCLRALN-GDBMZVCRSA-N	1	1	363.458	2.087	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O	ZINC000329717650	553994692	/nfs/dbraw/zinc/99/46/92/553994692.db2.gz	XUTCVIVGPITOEU-XMTFNYHQSA-N	1	1	353.507	2.027	20	30		FEEDMO
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000329723014	553995504	/nfs/dbraw/zinc/99/55/04/553995504.db2.gz	CQEWQZXWFHTUFI-BBWFWOEESA-N	1	1	350.507	2.108	20	30		FEEDMO
C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C	ZINC000329777557	554004205	/nfs/dbraw/zinc/00/42/05/554004205.db2.gz	KOAKLLYCWAUDQY-HLLBOEOZSA-N	1	1	366.506	2.373	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@]12CCCO2	ZINC000329789440	554006523	/nfs/dbraw/zinc/00/65/23/554006523.db2.gz	SKUIKKHLHCVQPG-BXBRNDKNSA-N	1	1	351.491	2.232	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000329803892	554008477	/nfs/dbraw/zinc/00/84/77/554008477.db2.gz	JYOZFCRTZIKBNA-RBAQFSTRSA-N	1	1	373.497	2.349	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C	ZINC000329818336	554011491	/nfs/dbraw/zinc/01/14/91/554011491.db2.gz	XALCJMVJEUSQLF-XLIONFOSSA-N	1	1	369.513	2.463	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C	ZINC000329818336	554011497	/nfs/dbraw/zinc/01/14/97/554011497.db2.gz	XALCJMVJEUSQLF-XLIONFOSSA-N	1	1	369.513	2.463	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C	ZINC000329818336	554011499	/nfs/dbraw/zinc/01/14/99/554011499.db2.gz	XALCJMVJEUSQLF-XLIONFOSSA-N	1	1	369.513	2.463	20	30		FEEDMO
O=C(N[C@@H]1CC[S@@](=O)C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000330007256	554048698	/nfs/dbraw/zinc/04/86/98/554048698.db2.gz	DKHOURYXMPQCRU-GYCJOSAFSA-N	1	1	369.918	2.329	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CC(=O)N(C)C2)CC1	ZINC000330056191	554056199	/nfs/dbraw/zinc/05/61/99/554056199.db2.gz	VMDWWZAPZAQOMJ-NVXWUHKLSA-N	1	1	350.507	2.108	20	30		FEEDMO
CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[C@H](C)C1	ZINC000330062399	554057512	/nfs/dbraw/zinc/05/75/12/554057512.db2.gz	PFGXYBNMFHHNNK-GPMSIDNRSA-N	1	1	358.486	2.289	20	30		FEEDMO
CC(=O)N1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)[C@@H](C)C1	ZINC000330084843	554061938	/nfs/dbraw/zinc/06/19/38/554061938.db2.gz	LGEXFZQYXLAXGZ-LPHOPBHVSA-N	1	1	364.534	2.498	20	30		FEEDMO
CC(=O)N[C@H](C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C1CCCC1	ZINC000330124364	554069197	/nfs/dbraw/zinc/06/91/97/554069197.db2.gz	BBFCBMDQHIUFQL-KSSFIOAISA-N	1	1	351.491	2.233	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)N1CCOC[C@H](C2CCC2)C1)[NH+]1CCOCC1	ZINC000330181234	554079585	/nfs/dbraw/zinc/07/95/85/554079585.db2.gz	NYBCHSDQXGOHFE-RTBURBONSA-N	1	1	367.534	2.396	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)N1CCOC[C@@H](C2CCC2)C1)[NH+]1CCOCC1	ZINC000330181233	554079813	/nfs/dbraw/zinc/07/98/13/554079813.db2.gz	NYBCHSDQXGOHFE-RBUKOAKNSA-N	1	1	367.534	2.396	20	30		FEEDMO
Cc1ccc2ncc(C#N)c(N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)c2c1	ZINC000330193756	554082576	/nfs/dbraw/zinc/08/25/76/554082576.db2.gz	YTFBDTWRRYJCSZ-IBGZPJMESA-N	1	1	363.465	2.158	20	30		FEEDMO
CC(=O)N1CC[C@H](NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1	ZINC000330201199	554083568	/nfs/dbraw/zinc/08/35/68/554083568.db2.gz	XKCNLUSUKGBNTG-ICSRJNTNSA-N	1	1	358.486	2.166	20	30		FEEDMO
C[C@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)c1nccs1	ZINC000330228964	554089205	/nfs/dbraw/zinc/08/92/05/554089205.db2.gz	PXJDLAAOLUDYGL-ZIAGYGMSSA-N	1	1	352.504	2.346	20	30		FEEDMO
N#Cc1cccc(F)c1CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000507720207	561738842	/nfs/dbraw/zinc/73/88/42/561738842.db2.gz	VQJMKTIDYCKPRY-UHFFFAOYSA-N	1	1	367.424	2.388	20	30		FEEDMO
C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1	ZINC000330249022	554092809	/nfs/dbraw/zinc/09/28/09/554092809.db2.gz	ZQBYBLLKMIQUGA-QAPCUYQASA-N	1	1	362.518	2.045	20	30		FEEDMO
CCn1cc(-c2n[nH]cc2C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cn1	ZINC000330255487	554093773	/nfs/dbraw/zinc/09/37/73/554093773.db2.gz	JYJGUNDVSLZNOS-KBPBESRZSA-N	1	1	374.489	2.486	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCOC2(CCOCC2)C1	ZINC000330256464	554093908	/nfs/dbraw/zinc/09/39/08/554093908.db2.gz	KPXNSPNWGIQWOY-DLBZAZTESA-N	1	1	353.507	2.483	20	30		FEEDMO
COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn1	ZINC000330283050	554098671	/nfs/dbraw/zinc/09/86/71/554098671.db2.gz	BBXXDGILAPQRKS-PQEBFOHHSA-N	1	1	350.463	2.046	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000330368857	554112135	/nfs/dbraw/zinc/11/21/35/554112135.db2.gz	AQHHRGAXJARNEA-RYRKJORJSA-N	1	1	364.515	2.138	20	30		FEEDMO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000330387986	554114783	/nfs/dbraw/zinc/11/47/83/554114783.db2.gz	NBXXUJDUAJOVGU-IJEWVQPXSA-N	1	1	370.544	2.057	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000330416277	554118959	/nfs/dbraw/zinc/11/89/59/554118959.db2.gz	VBVMNIQBOFBCSS-MRXNPFEDSA-N	1	1	367.515	2.362	20	30		FEEDMO
COC(=O)c1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc(C)c1C	ZINC000330530426	554134402	/nfs/dbraw/zinc/13/44/02/554134402.db2.gz	GGSUPEIHIXLIDQ-KGLIPLIRSA-N	1	1	363.458	2.022	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1C(F)F	ZINC000330707393	554160839	/nfs/dbraw/zinc/16/08/39/554160839.db2.gz	PUNFPUAFHLZROX-STQMWFEESA-N	1	1	373.448	2.409	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1C(F)F	ZINC000330707393	554160841	/nfs/dbraw/zinc/16/08/41/554160841.db2.gz	PUNFPUAFHLZROX-STQMWFEESA-N	1	1	373.448	2.409	20	30		FEEDMO
CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1	ZINC000330902766	554185517	/nfs/dbraw/zinc/18/55/17/554185517.db2.gz	LFRVRYMWBCKIJV-LBPRGKRZSA-N	1	1	353.850	2.263	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1	ZINC000331002276	554199639	/nfs/dbraw/zinc/19/96/39/554199639.db2.gz	OMQIATNSFRWFAP-UHFFFAOYSA-N	1	1	357.863	2.331	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)NCc2c(F)cc(F)c(F)c2F)C[C@H]1C	ZINC000331171235	554225317	/nfs/dbraw/zinc/22/53/17/554225317.db2.gz	JMVXAAPMPHJYFW-ZJUUUORDSA-N	1	1	363.355	2.044	20	30		FEEDMO
Cc1cnc(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(O)c1	ZINC000331204515	554230604	/nfs/dbraw/zinc/23/06/04/554230604.db2.gz	OIVHBMFUCSMBPI-UHFFFAOYSA-N	1	1	362.474	2.027	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc(C(N)=O)cc2F)C[C@H](C)O1	ZINC000331211656	554231459	/nfs/dbraw/zinc/23/14/59/554231459.db2.gz	YYJWHSULXWKFOD-TXEJJXNPSA-N	1	1	352.410	2.296	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc(C(N)=O)cc2F)C[C@H](C)O1	ZINC000331211656	554231464	/nfs/dbraw/zinc/23/14/64/554231464.db2.gz	YYJWHSULXWKFOD-TXEJJXNPSA-N	1	1	352.410	2.296	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC[N@H+]1C[C@@H](C)O	ZINC000331236932	554234619	/nfs/dbraw/zinc/23/46/19/554234619.db2.gz	HGAHYLIFGZDOMQ-NVXWUHKLSA-N	1	1	373.501	2.242	20	30		FEEDMO
CC[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1c(C)nn(C)c1C	ZINC000331244261	554235805	/nfs/dbraw/zinc/23/58/05/554235805.db2.gz	ZKEHBQFHQYPNBV-BBRMVZONSA-N	1	1	365.522	2.179	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)C[C@H](C)O1	ZINC000331293793	554242425	/nfs/dbraw/zinc/24/24/25/554242425.db2.gz	CCBQZLLLSVZHQO-IYBDPMFKSA-N	1	1	371.547	2.077	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000331308859	554245282	/nfs/dbraw/zinc/24/52/82/554245282.db2.gz	XLAWEGWGLYKBEM-VXGBXAGGSA-N	1	1	357.380	2.368	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000331376053	554253669	/nfs/dbraw/zinc/25/36/69/554253669.db2.gz	KVZZLCPSVDUJLQ-HNNXBMFYSA-N	1	1	374.872	2.485	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000331376053	554253671	/nfs/dbraw/zinc/25/36/71/554253671.db2.gz	KVZZLCPSVDUJLQ-HNNXBMFYSA-N	1	1	374.872	2.485	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)CC2)CCO1	ZINC000331391201	554256354	/nfs/dbraw/zinc/25/63/54/554256354.db2.gz	KBFVOQRDWSNDAO-IEBWSBKVSA-N	1	1	355.482	2.471	20	30		FEEDMO
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1	ZINC000509015218	561781363	/nfs/dbraw/zinc/78/13/63/561781363.db2.gz	USMSLWROOBDYEA-GVDBMIGSSA-N	1	1	363.506	2.109	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000331406325	554259039	/nfs/dbraw/zinc/25/90/39/554259039.db2.gz	FJJRPFGNSZYPRB-ROUUACIJSA-N	1	1	355.486	2.079	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC1	ZINC000331437751	554265268	/nfs/dbraw/zinc/26/52/68/554265268.db2.gz	BATZEOFRXLIFRQ-QGZVFWFLSA-N	1	1	374.529	2.252	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000509004778	561780880	/nfs/dbraw/zinc/78/08/80/561780880.db2.gz	OBCPZEVUBOZQOI-KRWDZBQOSA-N	1	1	372.469	2.298	20	30		FEEDMO
C=C(C)CC[N@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000509278903	561793505	/nfs/dbraw/zinc/79/35/05/561793505.db2.gz	KSXKUYCGHIXLFF-UHFFFAOYSA-N	1	1	366.483	2.120	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000331874949	554336448	/nfs/dbraw/zinc/33/64/48/554336448.db2.gz	PCXHQDAYDWMORG-ROUUACIJSA-N	1	1	355.486	2.079	20	30		FEEDMO
C[C@]1(F)C[NH2+]CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000332341755	554428790	/nfs/dbraw/zinc/42/87/90/554428790.db2.gz	STYCBQPOZPZQQH-AWEZNQCLSA-N	1	1	355.211	2.486	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000334085566	554676420	/nfs/dbraw/zinc/67/64/20/554676420.db2.gz	LVRVYXCCMGZLTK-ZKXLYKBJSA-N	1	1	351.491	2.003	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CN(c3c(C#N)cnc4c(Br)cccc43)C[C@@H]21	ZINC000334135056	554681856	/nfs/dbraw/zinc/68/18/56/554681856.db2.gz	XRBIELYITRWIKT-LSDHHAIUSA-N	1	1	373.254	2.388	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000348979453	554707209	/nfs/dbraw/zinc/70/72/09/554707209.db2.gz	WVCLFNZZSGOPRK-MOPGFXCFSA-N	1	1	371.481	2.412	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1	ZINC000360403456	554873458	/nfs/dbraw/zinc/87/34/58/554873458.db2.gz	YBDJRMREDMXXQN-VQTJNVASSA-N	1	1	368.481	2.409	20	30		FEEDMO
N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1	ZINC000362018650	554945157	/nfs/dbraw/zinc/94/51/57/554945157.db2.gz	CDLZJTXSTCQBRR-OAQYLSRUSA-N	1	1	360.461	2.231	20	30		FEEDMO
Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc(CC#N)cc3)CCC[N@H+]2C)cn1	ZINC000362167621	554954261	/nfs/dbraw/zinc/95/42/61/554954261.db2.gz	WEPKHVNBACXNHX-MJGOQNOKSA-N	1	1	351.454	2.299	20	30		FEEDMO
Cc1ncsc1C(=O)N1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000362221091	554956774	/nfs/dbraw/zinc/95/67/74/554956774.db2.gz	NWPPDMLCDPBULO-KRWDZBQOSA-N	1	1	370.478	2.205	20	30		FEEDMO
Cc1ncsc1C(=O)N1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1	ZINC000362221091	554956776	/nfs/dbraw/zinc/95/67/76/554956776.db2.gz	NWPPDMLCDPBULO-KRWDZBQOSA-N	1	1	370.478	2.205	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1	ZINC000511630230	561875217	/nfs/dbraw/zinc/87/52/17/561875217.db2.gz	RZAMGLQIGXBBMQ-HIFRSBDPSA-N	1	1	355.360	2.380	20	30		FEEDMO
CN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000362834309	554991688	/nfs/dbraw/zinc/99/16/88/554991688.db2.gz	KTFASYJTFBYZCC-OAHLLOKOSA-N	1	1	362.424	2.077	20	30		FEEDMO
CN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000362834309	554991689	/nfs/dbraw/zinc/99/16/89/554991689.db2.gz	KTFASYJTFBYZCC-OAHLLOKOSA-N	1	1	362.424	2.077	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccccn2)CC1	ZINC000363004971	555007859	/nfs/dbraw/zinc/00/78/59/555007859.db2.gz	PILUXXZGDYFTGC-QGZVFWFLSA-N	1	1	358.486	2.043	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccn2)CC1	ZINC000363004971	555007861	/nfs/dbraw/zinc/00/78/61/555007861.db2.gz	PILUXXZGDYFTGC-QGZVFWFLSA-N	1	1	358.486	2.043	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1	ZINC000363082130	555026540	/nfs/dbraw/zinc/02/65/40/555026540.db2.gz	WZMYYGJREXHRAN-QWHCGFSZSA-N	1	1	350.850	2.076	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)n1	ZINC000363170257	555044997	/nfs/dbraw/zinc/04/49/97/555044997.db2.gz	FHGLPDIASIVVLW-NZSAHSFTSA-N	1	1	369.513	2.419	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1	ZINC000363440708	555106232	/nfs/dbraw/zinc/10/62/32/555106232.db2.gz	CQBNAWYEHSXNRK-KRWDZBQOSA-N	1	1	354.454	2.123	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1Cl	ZINC000363557792	555136629	/nfs/dbraw/zinc/13/66/29/555136629.db2.gz	LRYUKZGXAWJYEJ-QRTARXTBSA-N	1	1	372.856	2.093	20	30		FEEDMO
C[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)C(=O)Nc1cccc(C#N)c1	ZINC000363702515	555167913	/nfs/dbraw/zinc/16/79/13/555167913.db2.gz	BZIPAPZAIGFVGD-XAMWDVODSA-N	1	1	370.497	2.364	20	30		FEEDMO
C[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C)C(=O)Nc1cccc(C#N)c1	ZINC000363702515	555167914	/nfs/dbraw/zinc/16/79/14/555167914.db2.gz	BZIPAPZAIGFVGD-XAMWDVODSA-N	1	1	370.497	2.364	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@@H](O)CCc2ccccc2)CC1	ZINC000363783369	555185569	/nfs/dbraw/zinc/18/55/69/555185569.db2.gz	WEMSYVYXOIUOBY-FQEVSTJZSA-N	1	1	350.466	2.459	20	30		FEEDMO
C=CCN(C(=O)NCc1ccnn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363826052	555194306	/nfs/dbraw/zinc/19/43/06/555194306.db2.gz	QCXNTKYEGUCDOW-IBGZPJMESA-N	1	1	353.470	2.392	20	30		FEEDMO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1	ZINC000363944157	555219260	/nfs/dbraw/zinc/21/92/60/555219260.db2.gz	KPLVQEZAAQAZPC-DLBZAZTESA-N	1	1	370.453	2.051	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCc1nc(-c2ccccc2)no1	ZINC000512213395	561896152	/nfs/dbraw/zinc/89/61/52/561896152.db2.gz	OCYDJFRQLFTOLE-AWEZNQCLSA-N	1	1	353.426	2.162	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCc1nc(-c2ccccc2)no1	ZINC000512213395	561896153	/nfs/dbraw/zinc/89/61/53/561896153.db2.gz	OCYDJFRQLFTOLE-AWEZNQCLSA-N	1	1	353.426	2.162	20	30		FEEDMO
COCc1nccc([C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)n1	ZINC000364406238	555307774	/nfs/dbraw/zinc/30/77/74/555307774.db2.gz	RTZCAFNFMUGKPA-PKOBYXMFSA-N	1	1	352.438	2.408	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1	ZINC000364544615	555334051	/nfs/dbraw/zinc/33/40/51/555334051.db2.gz	LHHYROFJVRJYSL-AJKKLUPSSA-N	1	1	359.470	2.286	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1	ZINC000364626675	555356377	/nfs/dbraw/zinc/35/63/77/555356377.db2.gz	LFMARGLWGLVIBB-ZWKOTPCHSA-N	1	1	362.518	2.109	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000364685554	555374476	/nfs/dbraw/zinc/37/44/76/555374476.db2.gz	IKSXVUMBQHSQDD-HNNXBMFYSA-N	1	1	370.432	2.689	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000512573325	561909404	/nfs/dbraw/zinc/90/94/04/561909404.db2.gz	QSAYAEPOOKPHNT-PKOBYXMFSA-N	1	1	357.502	2.136	20	30		FEEDMO
C#CC[N@@H+](CCn1cncn1)[C@H]1CCOc2ccc(Br)cc21	ZINC000365205925	555510719	/nfs/dbraw/zinc/51/07/19/555510719.db2.gz	FEPFIEZKUXQQME-HNNXBMFYSA-N	1	1	361.243	2.500	20	30		FEEDMO
C#CC[N@H+](CCn1cncn1)[C@H]1CCOc2ccc(Br)cc21	ZINC000365205925	555510722	/nfs/dbraw/zinc/51/07/22/555510722.db2.gz	FEPFIEZKUXQQME-HNNXBMFYSA-N	1	1	361.243	2.500	20	30		FEEDMO
C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1	ZINC000365534193	555601407	/nfs/dbraw/zinc/60/14/07/555601407.db2.gz	FKJUILUIZBMJQC-LSTHTHJFSA-N	1	1	356.466	2.318	20	30		FEEDMO
CCCCCCCCOCC(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000365537128	555602486	/nfs/dbraw/zinc/60/24/86/555602486.db2.gz	PBNXHKDSJDSLLM-SFHVURJKSA-N	1	1	367.534	2.304	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1	ZINC000365545800	555605382	/nfs/dbraw/zinc/60/53/82/555605382.db2.gz	KGCNJXGEEPVJAS-ZYSHUDEJSA-N	1	1	368.481	2.151	20	30		FEEDMO
Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000366378509	555826785	/nfs/dbraw/zinc/82/67/85/555826785.db2.gz	OLKIFCKVDHJOGE-MJGOQNOKSA-N	1	1	353.422	2.155	20	30		FEEDMO
C=CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000367201914	556003399	/nfs/dbraw/zinc/00/33/99/556003399.db2.gz	SCZLTUMNAYRACQ-OAHLLOKOSA-N	1	1	355.398	2.221	20	30		FEEDMO
Cc1cc(C#N)nc(N(C)[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1	ZINC000367333457	556021258	/nfs/dbraw/zinc/02/12/58/556021258.db2.gz	RONHAHSTDXEUAR-VQIMIIECSA-N	1	1	351.454	2.382	20	30		FEEDMO
Cc1cc(C#N)nc(N(C)[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1	ZINC000367333457	556021259	/nfs/dbraw/zinc/02/12/59/556021259.db2.gz	RONHAHSTDXEUAR-VQIMIIECSA-N	1	1	351.454	2.382	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)CC1	ZINC000367552210	556080908	/nfs/dbraw/zinc/08/09/08/556080908.db2.gz	MTSDLMXFOKSMSS-SJORKVTESA-N	1	1	361.490	2.057	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)CC1	ZINC000367552210	556080911	/nfs/dbraw/zinc/08/09/11/556080911.db2.gz	MTSDLMXFOKSMSS-SJORKVTESA-N	1	1	361.490	2.057	20	30		FEEDMO
N#Cc1ccc(CN2CCC[C@H]([NH+]3CCOCC3)C2)c(OC(F)F)c1	ZINC000514871281	561984415	/nfs/dbraw/zinc/98/44/15/561984415.db2.gz	SCWLIESCANLZCR-INIZCTEOSA-N	1	1	351.397	2.456	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)c(OC(F)F)c1	ZINC000514871281	561984416	/nfs/dbraw/zinc/98/44/16/561984416.db2.gz	SCWLIESCANLZCR-INIZCTEOSA-N	1	1	351.397	2.456	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)c(OC(F)F)c1	ZINC000514871281	561984418	/nfs/dbraw/zinc/98/44/18/561984418.db2.gz	SCWLIESCANLZCR-INIZCTEOSA-N	1	1	351.397	2.456	20	30		FEEDMO
Cc1nsc(NCc2c(C)nn(C)c2N2CCC[N@@H+](C)CC2)c1C#N	ZINC000367946566	556179425	/nfs/dbraw/zinc/17/94/25/556179425.db2.gz	ZOUYBNIAKIZXTF-UHFFFAOYSA-N	1	1	359.503	2.119	20	30		FEEDMO
CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000515423061	562009993	/nfs/dbraw/zinc/00/99/93/562009993.db2.gz	ZQFGUNTWIDQNOB-MRXNPFEDSA-N	1	1	372.469	2.227	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000515423061	562009995	/nfs/dbraw/zinc/00/99/95/562009995.db2.gz	ZQFGUNTWIDQNOB-MRXNPFEDSA-N	1	1	372.469	2.227	20	30		FEEDMO
C[N@@H+](CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)C1CCCC1	ZINC000369028211	556481330	/nfs/dbraw/zinc/48/13/30/556481330.db2.gz	PEHSWUORXMXCOM-UHFFFAOYSA-N	1	1	370.501	2.096	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H]2CCCc3cccnc32)CC1	ZINC000369049034	556488751	/nfs/dbraw/zinc/48/87/51/556488751.db2.gz	RVQXMQDSNQOECU-OALUTQOASA-N	1	1	369.513	2.083	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCCc3cccnc32)CC1	ZINC000369049034	556488753	/nfs/dbraw/zinc/48/87/53/556488753.db2.gz	RVQXMQDSNQOECU-OALUTQOASA-N	1	1	369.513	2.083	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C[C@H]21	ZINC000369116833	556508614	/nfs/dbraw/zinc/50/86/14/556508614.db2.gz	OCJYRLJMVLEIBF-IAQYHMDHSA-N	1	1	373.400	2.292	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1	ZINC000369178338	556526693	/nfs/dbraw/zinc/52/66/93/556526693.db2.gz	ZXWFHYWNMCRDLF-OAHLLOKOSA-N	1	1	352.398	2.581	20	30		FEEDMO
N#Cc1ccncc1N1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1	ZINC000516232711	562036882	/nfs/dbraw/zinc/03/68/82/562036882.db2.gz	VKUNRSOHCVEAMT-UHFFFAOYSA-N	1	1	353.401	2.243	20	30		FEEDMO
C[NH+]1CCN(C(=O)[C@H]2CCCN(c3c(C#N)cnc4ccccc43)C2)CC1	ZINC000369695641	556670787	/nfs/dbraw/zinc/67/07/87/556670787.db2.gz	IIYGBPFWTGNVCA-INIZCTEOSA-N	1	1	363.465	2.097	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12	ZINC000369705140	556673571	/nfs/dbraw/zinc/67/35/71/556673571.db2.gz	VEHDAUQAUSCENC-KRWDZBQOSA-N	1	1	354.454	2.173	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCc1cc(C#N)ccc1F	ZINC000369865282	556716789	/nfs/dbraw/zinc/71/67/89/556716789.db2.gz	YCFLLQRKOWMSBZ-DKSSEZFCSA-N	1	1	374.460	2.386	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1	ZINC000369942606	556736534	/nfs/dbraw/zinc/73/65/34/556736534.db2.gz	BWSAIYMKRMEPFW-JXFKEZNVSA-N	1	1	368.485	2.038	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c(C#N)c1C	ZINC000370014433	556758223	/nfs/dbraw/zinc/75/82/23/556758223.db2.gz	YYRFBJYKMXYALW-DZGCQCFKSA-N	1	1	355.442	2.393	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c(C#N)c1C	ZINC000370014433	556758227	/nfs/dbraw/zinc/75/82/27/556758227.db2.gz	YYRFBJYKMXYALW-DZGCQCFKSA-N	1	1	355.442	2.393	20	30		FEEDMO
C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@H]1N1CCN(C)CC1	ZINC000370147554	556793489	/nfs/dbraw/zinc/79/34/89/556793489.db2.gz	DNTHEZAFAVRWQC-GHTZIAJQSA-N	1	1	356.514	2.285	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@H]1N1CCN(C)CC1	ZINC000370147554	556793492	/nfs/dbraw/zinc/79/34/92/556793492.db2.gz	DNTHEZAFAVRWQC-GHTZIAJQSA-N	1	1	356.514	2.285	20	30		FEEDMO
C#CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](CC)C3)c1C	ZINC000370259457	556823839	/nfs/dbraw/zinc/82/38/39/556823839.db2.gz	CUYQGWYYAXDCNZ-CQSZACIVSA-N	1	1	351.454	2.095	20	30		FEEDMO
Cn1cc([C@@H]2[C@H](CNC(=O)c3cccc(CC#N)c3)CCC[N@H+]2C)cn1	ZINC000370909704	557011767	/nfs/dbraw/zinc/01/17/67/557011767.db2.gz	DMIJEJNSIACWMV-HKUYNNGSSA-N	1	1	351.454	2.299	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC2(CCOC2=O)CC1	ZINC000371150318	557089514	/nfs/dbraw/zinc/08/95/14/557089514.db2.gz	DFXQJFMRLVXNRM-INIZCTEOSA-N	1	1	355.438	2.351	20	30		FEEDMO
N#CCCC1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1	ZINC000517232606	562081424	/nfs/dbraw/zinc/08/14/24/562081424.db2.gz	AHHUDWCMPDIPDH-FQEVSTJZSA-N	1	1	370.497	2.479	20	30		FEEDMO
N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)cc2)c1N	ZINC000371596241	557234069	/nfs/dbraw/zinc/23/40/69/557234069.db2.gz	FNLFEXZDPXLJPQ-INIZCTEOSA-N	1	1	364.453	2.073	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c(Cl)c1	ZINC000371632615	557245946	/nfs/dbraw/zinc/24/59/46/557245946.db2.gz	IYCMUEUVHRZJCT-LZWOXQAQSA-N	1	1	365.886	2.316	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC000371720634	557273936	/nfs/dbraw/zinc/27/39/36/557273936.db2.gz	YYQFTJVGBYUENY-MRXNPFEDSA-N	1	1	358.442	2.285	20	30		FEEDMO
C#CC[N@@H+](CCOCCO)[C@H]1CCOc2ccc(Br)cc21	ZINC000371758717	557284818	/nfs/dbraw/zinc/28/48/18/557284818.db2.gz	AQWPCNWSFSYEQJ-HNNXBMFYSA-N	1	1	354.244	2.217	20	30		FEEDMO
C#CC[N@H+](CCOCCO)[C@H]1CCOc2ccc(Br)cc21	ZINC000371758717	557284821	/nfs/dbraw/zinc/28/48/21/557284821.db2.gz	AQWPCNWSFSYEQJ-HNNXBMFYSA-N	1	1	354.244	2.217	20	30		FEEDMO
CNC(=O)CCOC1CC[NH+](Cc2ncc(-c3ccc(C#N)cc3)o2)CC1	ZINC000371878934	557317703	/nfs/dbraw/zinc/31/77/03/557317703.db2.gz	YXOAGXJVYBWQAO-UHFFFAOYSA-N	1	1	368.437	2.330	20	30		FEEDMO
COc1ccccc1N1CC[C@@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000372197988	557406784	/nfs/dbraw/zinc/40/67/84/557406784.db2.gz	VDNOMRQOTASHJW-IERDGZPVSA-N	1	1	370.497	2.404	20	30		FEEDMO
COc1ccccc1N1CC[C@@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000372197988	557406785	/nfs/dbraw/zinc/40/67/85/557406785.db2.gz	VDNOMRQOTASHJW-IERDGZPVSA-N	1	1	370.497	2.404	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@]12C(=O)Nc1ccccc12	ZINC000372229488	557415998	/nfs/dbraw/zinc/41/59/98/557415998.db2.gz	VZZGXFJVZXLZGS-DJKXOVBDSA-N	1	1	351.381	2.205	20	30		FEEDMO
N#C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@]12C(=O)Nc1ccccc12	ZINC000372229488	557416001	/nfs/dbraw/zinc/41/60/01/557416001.db2.gz	VZZGXFJVZXLZGS-DJKXOVBDSA-N	1	1	351.381	2.205	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)Cc2cccc(OCC#N)c2)[C@@H]1c1cccnc1	ZINC000372410886	557464051	/nfs/dbraw/zinc/46/40/51/557464051.db2.gz	YQDUUGDHUUMJQR-RXVVDRJESA-N	1	1	364.449	2.336	20	30		FEEDMO
CN1C(=O)C[C@@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(F)cc1	ZINC000372809806	557566665	/nfs/dbraw/zinc/56/66/65/557566665.db2.gz	JMCQYZOIZNADAV-PBHICJAKSA-N	1	1	372.425	2.259	20	30		FEEDMO
C=CCOc1ccc(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cc1OC	ZINC000373036296	557614203	/nfs/dbraw/zinc/61/42/03/557614203.db2.gz	QLNBGYOFVYWBRL-UHFFFAOYSA-N	1	1	370.453	2.392	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1I	ZINC000519833280	562145850	/nfs/dbraw/zinc/14/58/50/562145850.db2.gz	CMMQKPOKZWZXFL-LBPRGKRZSA-N	1	1	374.222	2.243	20	30		FEEDMO
COc1ccccc1CC1(O)CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000373968151	557798287	/nfs/dbraw/zinc/79/82/87/557798287.db2.gz	HYHIPJNFQTYUKT-HXUWFJFHSA-N	1	1	373.497	2.119	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC#N)CCC#N)C1CCN(c2ccc(F)cc2)CC1	ZINC000374130916	557828810	/nfs/dbraw/zinc/82/88/10/557828810.db2.gz	IIOSTJFWKQOAIH-UHFFFAOYSA-N	1	1	371.460	2.382	20	30		FEEDMO
C#CCOc1ccccc1C[NH2+]CC(=O)N[C@H]1CCOc2ccccc21	ZINC000374317013	557864329	/nfs/dbraw/zinc/86/43/29/557864329.db2.gz	QEQZKSAMGKMLGC-SFHVURJKSA-N	1	1	350.418	2.428	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1[C@@H](O)c1ccc(OC)cc1	ZINC000374398493	557878666	/nfs/dbraw/zinc/87/86/66/557878666.db2.gz	KCPGYDBTHUHDCP-BPAFIMBUSA-N	1	1	359.470	2.201	20	30		FEEDMO
Cn1cc([C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)c2ccccc2)cn1	ZINC000374613805	557906822	/nfs/dbraw/zinc/90/68/22/557906822.db2.gz	PJKIITLTQVKNMC-IBGZPJMESA-N	1	1	351.454	2.442	20	30		FEEDMO
C[C@H](NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1)C1=CC[N@@H+](C)CC1	ZINC000374735067	557923129	/nfs/dbraw/zinc/92/31/29/557923129.db2.gz	PAWXSVKLWBVWLQ-KRWDZBQOSA-N	1	1	367.497	2.430	20	30		FEEDMO
CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1	ZINC000374827944	557937172	/nfs/dbraw/zinc/93/71/72/557937172.db2.gz	ORMWYKJEKNPXTI-WMZOPIPTSA-N	1	1	353.426	2.153	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000521217018	562172089	/nfs/dbraw/zinc/17/20/89/562172089.db2.gz	HSSISJFZLHAEPW-BHIYHBOVSA-N	1	1	373.497	2.315	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1	ZINC000375344464	558012656	/nfs/dbraw/zinc/01/26/56/558012656.db2.gz	FKDQSPBOPCAUSN-IBGZPJMESA-N	1	1	351.535	2.282	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)C1=O	ZINC000375595320	558054525	/nfs/dbraw/zinc/05/45/25/558054525.db2.gz	GYXADFOATZQXMH-KGLIPLIRSA-N	1	1	355.360	2.340	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)C1=O	ZINC000375595320	558054526	/nfs/dbraw/zinc/05/45/26/558054526.db2.gz	GYXADFOATZQXMH-KGLIPLIRSA-N	1	1	355.360	2.340	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](NC(=O)C4CCC4)C3)C2=O)cc1	ZINC000375829920	558086367	/nfs/dbraw/zinc/08/63/67/558086367.db2.gz	LNBUDCHNJSLYRS-PKOBYXMFSA-N	1	1	366.465	2.044	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](NC(=O)C4CCC4)C3)C2=O)cc1	ZINC000375829920	558086368	/nfs/dbraw/zinc/08/63/68/558086368.db2.gz	LNBUDCHNJSLYRS-PKOBYXMFSA-N	1	1	366.465	2.044	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](NC(=O)C4CCC4)C3)C2=O)cc1	ZINC000375829918	558086372	/nfs/dbraw/zinc/08/63/72/558086372.db2.gz	LNBUDCHNJSLYRS-IEBWSBKVSA-N	1	1	366.465	2.044	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H](NC(=O)C4CCC4)C3)C2=O)cc1	ZINC000375829918	558086373	/nfs/dbraw/zinc/08/63/73/558086373.db2.gz	LNBUDCHNJSLYRS-IEBWSBKVSA-N	1	1	366.465	2.044	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[NH+]1CCC(c2nc(-c3ccccc3OC)no2)CC1	ZINC000375934079	558101903	/nfs/dbraw/zinc/10/19/03/558101903.db2.gz	UQYSVPLSVKDLRW-AWEZNQCLSA-N	1	1	368.437	2.063	20	30		FEEDMO
Cn1cc[nH+]c1N1CCC(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1	ZINC000376101813	558127436	/nfs/dbraw/zinc/12/74/36/558127436.db2.gz	JBSTYTPCXSJODJ-UHFFFAOYSA-N	1	1	369.444	2.494	20	30		FEEDMO
C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)o2)C[N@H+]1Cc1ccccc1	ZINC000376318749	558157261	/nfs/dbraw/zinc/15/72/61/558157261.db2.gz	BERRJIZSPOIIHS-GDBMZVCRSA-N	1	1	359.451	2.340	20	30		FEEDMO
N#CC1CCC(CNC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1	ZINC000376388213	558166733	/nfs/dbraw/zinc/16/67/33/558166733.db2.gz	SGONLVCZQYWILM-WXDAQCLHSA-N	1	1	370.497	2.251	20	30		FEEDMO
N#Cc1ccc(OC2CN(C(=O)NCc3c[nH+]c4n3CCCC4)C2)cc1	ZINC000377111343	558268460	/nfs/dbraw/zinc/26/84/60/558268460.db2.gz	BARCNHNVGYNOSM-UHFFFAOYSA-N	1	1	351.410	2.064	20	30		FEEDMO
Cc1cc(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)nn1-c1cccc(C#N)c1	ZINC000377244892	558297527	/nfs/dbraw/zinc/29/75/27/558297527.db2.gz	MUNHJHDIJVXFJL-OAHLLOKOSA-N	1	1	364.453	2.824	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)cn1	ZINC000377339932	558319435	/nfs/dbraw/zinc/31/94/35/558319435.db2.gz	PGTGSSGTPIGAMU-UHFFFAOYSA-N	1	1	367.434	2.067	20	30		FEEDMO
Cc1ccc(N2CCC(NS(=O)(=O)Cc3ccc(C#N)cc3)CC2)[nH+]c1	ZINC000377382858	558330332	/nfs/dbraw/zinc/33/03/32/558330332.db2.gz	MRNBEGMBMMIRPA-UHFFFAOYSA-N	1	1	370.478	2.350	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000377578682	558369907	/nfs/dbraw/zinc/36/99/07/558369907.db2.gz	AJAVVTZMWFFLAZ-HOTGVXAUSA-N	1	1	358.442	2.330	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@H]3C2)CC1	ZINC000377819793	558426371	/nfs/dbraw/zinc/42/63/71/558426371.db2.gz	ZLODWUBNBHMARW-PCCBWWKXSA-N	1	1	351.494	2.093	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@H]3C2)CC1	ZINC000377819793	558426372	/nfs/dbraw/zinc/42/63/72/558426372.db2.gz	ZLODWUBNBHMARW-PCCBWWKXSA-N	1	1	351.494	2.093	20	30		FEEDMO
CC1(C#N)CC[NH+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1	ZINC000378585453	558588855	/nfs/dbraw/zinc/58/88/55/558588855.db2.gz	CJDMDXBIRMWBKQ-UHFFFAOYSA-N	1	1	368.481	2.033	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CN(c3c(C#N)cnc4c(Br)cccc43)C[C@@H]21	ZINC000408424795	558675987	/nfs/dbraw/zinc/67/59/87/558675987.db2.gz	XRBIELYITRWIKT-GJZGRUSLSA-N	1	1	373.254	2.388	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000409566689	558703838	/nfs/dbraw/zinc/70/38/38/558703838.db2.gz	BPAZAPQNSILQFR-BBWFWOEESA-N	1	1	358.552	2.060	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000409575403	558704431	/nfs/dbraw/zinc/70/44/31/558704431.db2.gz	RFFGJDNEANQHOU-UHFFFAOYSA-N	1	1	356.536	2.055	20	30		FEEDMO
COCC[C@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000413625512	559121208	/nfs/dbraw/zinc/12/12/08/559121208.db2.gz	NXCBLICBZCIALN-KRWDZBQOSA-N	1	1	358.486	2.448	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@H+]2CC[C@@H](O)[C@H](CO)C2)c1	ZINC000414551520	559171183	/nfs/dbraw/zinc/17/11/83/559171183.db2.gz	BNIMPCQPZNETME-PZJWPPBQSA-N	1	1	352.434	2.312	20	30		FEEDMO
C=CCOc1ccc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1OC	ZINC000415119255	559206290	/nfs/dbraw/zinc/20/62/90/559206290.db2.gz	FEQKVCFOYRFXQS-KRWDZBQOSA-N	1	1	357.458	2.147	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416390829	559309533	/nfs/dbraw/zinc/30/95/33/559309533.db2.gz	PSYQLPCKKIRKMQ-NSHDSACASA-N	1	1	374.304	2.329	20	30		FEEDMO
C[C@H](C#N)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000416444070	559313239	/nfs/dbraw/zinc/31/32/39/559313239.db2.gz	XEIYBQXVRQTHDF-GMXABZIVSA-N	1	1	359.854	2.303	20	30		FEEDMO
C[C@H](C#N)S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000416444070	559313240	/nfs/dbraw/zinc/31/32/40/559313240.db2.gz	XEIYBQXVRQTHDF-GMXABZIVSA-N	1	1	359.854	2.303	20	30		FEEDMO
COC(=O)[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@@H+](C)C1	ZINC000416759652	559331570	/nfs/dbraw/zinc/33/15/70/559331570.db2.gz	MQDWEORVKAMUBM-CQSZACIVSA-N	1	1	358.442	2.056	20	30		FEEDMO
C[N@@H+](CCN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O)Cc1ccccc1	ZINC000418871282	559420226	/nfs/dbraw/zinc/42/02/26/559420226.db2.gz	VFEFYVARQVLYLX-NRFANRHFSA-N	1	1	362.433	2.457	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC	ZINC000419155521	559430316	/nfs/dbraw/zinc/43/03/16/559430316.db2.gz	RRKUEOSGFFRXAA-NVXWUHKLSA-N	1	1	359.470	2.029	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C1	ZINC000419627139	559450409	/nfs/dbraw/zinc/45/04/09/559450409.db2.gz	XUBUNYMGHJUHRY-DOXZYTNZSA-N	1	1	356.470	2.032	20	30		FEEDMO
C=CCC[C@H]1NC(=O)N(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000419955427	559466242	/nfs/dbraw/zinc/46/62/42/559466242.db2.gz	RJPFXCIITXWBKH-QZTJIDSGSA-N	1	1	357.454	2.164	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000420936596	559512762	/nfs/dbraw/zinc/51/27/62/559512762.db2.gz	ZXPSQEFCBSXHGQ-HZPDHXFCSA-N	1	1	362.474	2.085	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000420936596	559512763	/nfs/dbraw/zinc/51/27/63/559512763.db2.gz	ZXPSQEFCBSXHGQ-HZPDHXFCSA-N	1	1	362.474	2.085	20	30		FEEDMO
CNC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000420969898	559515576	/nfs/dbraw/zinc/51/55/76/559515576.db2.gz	FOVVBGBLWDEMRP-IRXDYDNUSA-N	1	1	356.470	2.007	20	30		FEEDMO
CNC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	ZINC000420976575	559516195	/nfs/dbraw/zinc/51/61/95/559516195.db2.gz	PKZDKDBBVZUHGR-ZIAGYGMSSA-N	1	1	360.483	2.087	20	30		FEEDMO
CNC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	ZINC000420976575	559516196	/nfs/dbraw/zinc/51/61/96/559516196.db2.gz	PKZDKDBBVZUHGR-ZIAGYGMSSA-N	1	1	360.483	2.087	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(C#N)cn1CC	ZINC000421176719	559529034	/nfs/dbraw/zinc/52/90/34/559529034.db2.gz	SVKUMCZOJYJEON-QWHCGFSZSA-N	1	1	361.446	2.113	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(C(=O)NCc3ccc(C#N)s3)cc2)CC1	ZINC000421907502	559556147	/nfs/dbraw/zinc/55/61/47/559556147.db2.gz	BRDDGTUVRFNGIL-UHFFFAOYSA-N	1	1	354.479	2.297	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000422083603	559564251	/nfs/dbraw/zinc/56/42/51/559564251.db2.gz	IXDHFDFFMYLMOF-QRVBRYPASA-N	1	1	355.482	2.033	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1	ZINC000422485534	559591204	/nfs/dbraw/zinc/59/12/04/559591204.db2.gz	DGVUNFBNTHEDKN-GOSISDBHSA-N	1	1	370.497	2.143	20	30		FEEDMO
CN(C(=O)C(=O)NCC(C)(C)CC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000422489272	559591404	/nfs/dbraw/zinc/59/14/04/559591404.db2.gz	PAIQYWBVUBELCU-SFHVURJKSA-N	1	1	370.497	2.165	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000422536671	559593544	/nfs/dbraw/zinc/59/35/44/559593544.db2.gz	DDSLCNHCZPBYKK-QXAKKESOSA-N	1	1	357.498	2.231	20	30		FEEDMO
C=CCn1cc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nn1	ZINC000424908016	559679752	/nfs/dbraw/zinc/67/97/52/559679752.db2.gz	MTJOOZLFYWRKHV-INIZCTEOSA-N	1	1	357.433	2.132	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)nn1	ZINC000425442520	559702448	/nfs/dbraw/zinc/70/24/48/559702448.db2.gz	JMFSDBLUUKYVDS-GOSISDBHSA-N	1	1	360.506	2.308	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000425636182	559712459	/nfs/dbraw/zinc/71/24/59/559712459.db2.gz	RLZCHHQHQHGVJO-HKUYNNGSSA-N	1	1	359.470	2.274	20	30		FEEDMO
C=CCC[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1	ZINC000427121867	559748525	/nfs/dbraw/zinc/74/85/25/559748525.db2.gz	MNRZIKXCTCPIDR-MOPGFXCFSA-N	1	1	357.498	2.440	20	30		FEEDMO
Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1	ZINC000428771054	559782804	/nfs/dbraw/zinc/78/28/04/559782804.db2.gz	HGDJZWAMWBYFQJ-MOPGFXCFSA-N	1	1	367.449	2.463	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NCCCc3ccccc3)C2)nc1	ZINC000428780715	559783047	/nfs/dbraw/zinc/78/30/47/559783047.db2.gz	IFRYGGJLBCGQAQ-IBGZPJMESA-N	1	1	364.449	2.155	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NCCCc3ccccc3)C2)nc1	ZINC000428780715	559783048	/nfs/dbraw/zinc/78/30/48/559783048.db2.gz	IFRYGGJLBCGQAQ-IBGZPJMESA-N	1	1	364.449	2.155	20	30		FEEDMO
COC(=O)[C@]1(c2ccccc2)CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000428803045	559783736	/nfs/dbraw/zinc/78/37/36/559783736.db2.gz	IFPHOSQVGNLLHL-TYCQWZJGSA-N	1	1	371.481	2.246	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)[C@H]1CCN(c2sccc2C(=O)OC)C1=O	ZINC000429727598	559804738	/nfs/dbraw/zinc/80/47/38/559804738.db2.gz	VNBCEKPTADDYJV-HNNXBMFYSA-N	1	1	365.499	2.080	20	30		FEEDMO
C[C@H](CNC(=O)NCC1(CC#N)CC1)[NH+]1CCN(c2ccccc2)CC1	ZINC000430173751	559814672	/nfs/dbraw/zinc/81/46/72/559814672.db2.gz	XBBWZPLEKQGRID-QGZVFWFLSA-N	1	1	355.486	2.190	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NCC3(CC#N)CC3)c2)CCO1	ZINC000430451865	559820419	/nfs/dbraw/zinc/82/04/19/559820419.db2.gz	UAMWERNAWBYUCX-INIZCTEOSA-N	1	1	356.470	2.400	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NCC3(CC#N)CC3)c2)CCO1	ZINC000430451865	559820420	/nfs/dbraw/zinc/82/04/20/559820420.db2.gz	UAMWERNAWBYUCX-INIZCTEOSA-N	1	1	356.470	2.400	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000433013432	559869932	/nfs/dbraw/zinc/86/99/32/559869932.db2.gz	NYFNWZWQAPLLEI-NSHDSACASA-N	1	1	374.304	2.329	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N=c2ccn(CCC#N)[nH]2)C1	ZINC000438334683	559977565	/nfs/dbraw/zinc/97/75/65/559977565.db2.gz	MPMRZHSGGLLDLX-NVXWUHKLSA-N	1	1	352.442	2.754	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1)C1(C#N)CCCCC1	ZINC000444727358	560118970	/nfs/dbraw/zinc/11/89/70/560118970.db2.gz	DNCMVZDHZXCCTO-ZFWWWQNUSA-N	1	1	361.408	2.306	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1)C1(C#N)CCCCC1	ZINC000444727358	560118971	/nfs/dbraw/zinc/11/89/71/560118971.db2.gz	DNCMVZDHZXCCTO-ZFWWWQNUSA-N	1	1	361.408	2.306	20	30		FEEDMO
N#Cc1cccc(-c2cc(C(=O)NCCCC[N@@H+]3CCC[C@H]3CO)on2)c1	ZINC000447552544	560164346	/nfs/dbraw/zinc/16/43/46/560164346.db2.gz	NZPSBOVLUUJKAT-KRWDZBQOSA-N	1	1	368.437	2.180	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000447940947	560174017	/nfs/dbraw/zinc/17/40/17/560174017.db2.gz	JLANOLLLIZIZFR-INIZCTEOSA-N	1	1	353.463	2.237	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Br)cc1C#N	ZINC000448911715	560206248	/nfs/dbraw/zinc/20/62/48/560206248.db2.gz	QSCKTXABGALNFS-AWEZNQCLSA-N	1	1	366.259	2.161	20	30		FEEDMO
COc1nccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000449016621	560212167	/nfs/dbraw/zinc/21/21/67/560212167.db2.gz	HYVJDXJJDCEVNX-UHFFFAOYSA-N	1	1	351.410	2.208	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@H+]1C	ZINC000449942637	560245943	/nfs/dbraw/zinc/24/59/43/560245943.db2.gz	UTYIZOJXAVCNBQ-YUELXQCFSA-N	1	1	374.872	2.163	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000450128917	560251501	/nfs/dbraw/zinc/25/15/01/560251501.db2.gz	IMFKOCFITRFVNU-YSTOQKLRSA-N	1	1	358.482	2.373	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000450128917	560251502	/nfs/dbraw/zinc/25/15/02/560251502.db2.gz	IMFKOCFITRFVNU-YSTOQKLRSA-N	1	1	358.482	2.373	20	30		FEEDMO
CN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000450229060	560254835	/nfs/dbraw/zinc/25/48/35/560254835.db2.gz	WDDPLFBOSKVOCN-RTBURBONSA-N	1	1	371.529	2.306	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)CC1	ZINC000450749589	560272150	/nfs/dbraw/zinc/27/21/50/560272150.db2.gz	YXGLCHQEVONCMB-LJQANCHMSA-N	1	1	369.513	2.341	20	30		FEEDMO
Cc1ccccc1CC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000451168907	560291070	/nfs/dbraw/zinc/29/10/70/560291070.db2.gz	YCRREWJCJCZQMC-FQEVSTJZSA-N	1	1	356.514	2.162	20	30		FEEDMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000451177592	560291551	/nfs/dbraw/zinc/29/15/51/560291551.db2.gz	WPDMKLPSKJYVDV-OKILXGFUSA-N	1	1	353.463	2.380	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1	ZINC000451269015	560297354	/nfs/dbraw/zinc/29/73/54/560297354.db2.gz	SJMCHFRQDJDTQC-NRSPTQNISA-N	1	1	370.424	2.098	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1	ZINC000451269015	560297355	/nfs/dbraw/zinc/29/73/55/560297355.db2.gz	SJMCHFRQDJDTQC-NRSPTQNISA-N	1	1	370.424	2.098	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)C[N@@H+]1C1CC1	ZINC000451293854	560298427	/nfs/dbraw/zinc/29/84/27/560298427.db2.gz	FZZKVRATHVFNNS-DGCLKSJQSA-N	1	1	353.875	2.310	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)C[N@H+]1C1CC1	ZINC000451293854	560298428	/nfs/dbraw/zinc/29/84/28/560298428.db2.gz	FZZKVRATHVFNNS-DGCLKSJQSA-N	1	1	353.875	2.310	20	30		FEEDMO
COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1	ZINC000451330701	560300699	/nfs/dbraw/zinc/30/06/99/560300699.db2.gz	BFKDZKUUFCBHKP-QGZVFWFLSA-N	1	1	354.353	2.171	20	30		FEEDMO
C[C@H]1[C@H](O)CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000451460360	560308338	/nfs/dbraw/zinc/30/83/38/560308338.db2.gz	RFMSGDJKMXDKRU-XJKSGUPXSA-N	1	1	354.372	2.018	20	30		FEEDMO
C[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CC[N@@H+](Cc2ccccc2)C1	ZINC000451706069	560323429	/nfs/dbraw/zinc/32/34/29/560323429.db2.gz	JRKFHOLUSKXZNO-DYESRHJHSA-N	1	1	354.498	2.249	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH+]1CCC(Cc2c(F)cccc2F)CC1	ZINC000451955095	560340470	/nfs/dbraw/zinc/34/04/70/560340470.db2.gz	CLLRPWGINJLGAV-UHFFFAOYSA-N	1	1	351.397	2.231	20	30		FEEDMO
C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](CCOCC)[C@H](C)C1	ZINC000453440920	560386714	/nfs/dbraw/zinc/38/67/14/560386714.db2.gz	NPFXRTACKFJYGX-SJORKVTESA-N	1	1	363.506	2.253	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)[C@@H](C)C1	ZINC000453750363	560401517	/nfs/dbraw/zinc/40/15/17/560401517.db2.gz	RIQFXLVWJRHKQO-LBPRGKRZSA-N	1	1	362.499	2.408	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)[C@@H](C)C1	ZINC000453750363	560401518	/nfs/dbraw/zinc/40/15/18/560401518.db2.gz	RIQFXLVWJRHKQO-LBPRGKRZSA-N	1	1	362.499	2.408	20	30		FEEDMO
C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000453770258	560403026	/nfs/dbraw/zinc/40/30/26/560403026.db2.gz	SRHDAQCJRDSTAA-RYUDHWBXSA-N	1	1	362.499	2.407	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000453770258	560403027	/nfs/dbraw/zinc/40/30/27/560403027.db2.gz	SRHDAQCJRDSTAA-RYUDHWBXSA-N	1	1	362.499	2.407	20	30		FEEDMO
C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000454771823	560457623	/nfs/dbraw/zinc/45/76/23/560457623.db2.gz	NFKWSZBZRNADOZ-KRWDZBQOSA-N	1	1	364.449	2.012	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000454771823	560457624	/nfs/dbraw/zinc/45/76/24/560457624.db2.gz	NFKWSZBZRNADOZ-KRWDZBQOSA-N	1	1	364.449	2.012	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1C#N	ZINC000454999136	560466855	/nfs/dbraw/zinc/46/68/55/560466855.db2.gz	NTYZWEXVBNPARB-KRWDZBQOSA-N	1	1	360.458	2.314	20	30		FEEDMO
C[N@@H+](CCCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C1CC1	ZINC000455610447	560489185	/nfs/dbraw/zinc/48/91/85/560489185.db2.gz	LENFTAGXOIWUME-UHFFFAOYSA-N	1	1	373.476	2.403	20	30		FEEDMO
CC(C)[C@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)[NH+]1CCOCC1	ZINC000455762219	560494204	/nfs/dbraw/zinc/49/42/04/560494204.db2.gz	YRMUDJLSYFJUPJ-HNNXBMFYSA-N	1	1	351.838	2.085	20	30		FEEDMO
CC[C@H]1C[N@@H+](CC)CCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000456357356	560517262	/nfs/dbraw/zinc/51/72/62/560517262.db2.gz	SHLPHQNZDYUFAT-KRWDZBQOSA-N	1	1	368.485	2.093	20	30		FEEDMO
C[C@@H](CNC(=O)N(C)CC(C)(C)C#N)[NH+]1CCN(c2ccccc2)CC1	ZINC000457722864	560583932	/nfs/dbraw/zinc/58/39/32/560583932.db2.gz	FMZFXTLLJCMRHR-KRWDZBQOSA-N	1	1	357.502	2.388	20	30		FEEDMO
N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000459513980	560691147	/nfs/dbraw/zinc/69/11/47/560691147.db2.gz	OMRBXORJUDTPFX-DZGCQCFKSA-N	1	1	350.378	2.247	20	30		FEEDMO
N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000459513980	560691148	/nfs/dbraw/zinc/69/11/48/560691148.db2.gz	OMRBXORJUDTPFX-DZGCQCFKSA-N	1	1	350.378	2.247	20	30		FEEDMO
C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1	ZINC000460804422	560752269	/nfs/dbraw/zinc/75/22/69/560752269.db2.gz	PXUBVUQVDFKHNK-GOSISDBHSA-N	1	1	358.534	2.338	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C[N@H+](CC)CCC)cc1	ZINC000461620650	560777430	/nfs/dbraw/zinc/77/74/30/560777430.db2.gz	QYWWOOFHHATGSJ-OAHLLOKOSA-N	1	1	367.515	2.001	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](c1ccccc1)[NH+](C)C	ZINC000461726681	560780572	/nfs/dbraw/zinc/78/05/72/560780572.db2.gz	KZBFQDXDNWXHKM-GOSISDBHSA-N	1	1	360.421	2.689	20	30		FEEDMO
N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000461944954	560789074	/nfs/dbraw/zinc/78/90/74/560789074.db2.gz	WNEHEBKCNUVKDZ-SNRMKQJTSA-N	1	1	356.470	2.135	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)CC1	ZINC000462289441	560804504	/nfs/dbraw/zinc/80/45/04/560804504.db2.gz	JCRKCCCBIWBXCU-UHFFFAOYSA-N	1	1	350.484	2.454	20	30		FEEDMO
CC#CCC[NH+]1CCN(C(=O)COc2ccc(Br)cc2)CC1	ZINC000462313684	560805517	/nfs/dbraw/zinc/80/55/17/560805517.db2.gz	ITIDUFVJPOWZBI-UHFFFAOYSA-N	1	1	365.271	2.386	20	30		FEEDMO
N#Cc1cccc(OCC[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1	ZINC000464797463	560851298	/nfs/dbraw/zinc/85/12/98/560851298.db2.gz	GIFWJUFSERPFPX-IBGZPJMESA-N	1	1	357.454	2.040	20	30		FEEDMO
N#Cc1cccc(OCC[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1	ZINC000464797463	560851299	/nfs/dbraw/zinc/85/12/99/560851299.db2.gz	GIFWJUFSERPFPX-IBGZPJMESA-N	1	1	357.454	2.040	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@]2(CNC(=O)C2)C1	ZINC000464803452	560851859	/nfs/dbraw/zinc/85/18/59/560851859.db2.gz	YMMMDAOSWPSXHW-BEFAXECRSA-N	1	1	361.511	2.253	20	30		FEEDMO
COC(=O)C1(c2ccccc2)CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000469614581	560959753	/nfs/dbraw/zinc/95/97/53/560959753.db2.gz	BWSDRMPMKUILGO-MRXNPFEDSA-N	1	1	369.465	2.144	20	30		FEEDMO
COC(=O)[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H]1C	ZINC000470002442	560971696	/nfs/dbraw/zinc/97/16/96/560971696.db2.gz	JKQYURSXSWVVNA-WMZOPIPTSA-N	1	1	357.454	2.434	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H]1C	ZINC000470002442	560971697	/nfs/dbraw/zinc/97/16/97/560971697.db2.gz	JKQYURSXSWVVNA-WMZOPIPTSA-N	1	1	357.454	2.434	20	30		FEEDMO
C=CCOCCC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000470718801	560988004	/nfs/dbraw/zinc/98/80/04/560988004.db2.gz	XRTZSXYFISFOQQ-KRWDZBQOSA-N	1	1	353.484	2.277	20	30		FEEDMO
C=CCOCCC[N@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000470718801	560988005	/nfs/dbraw/zinc/98/80/05/560988005.db2.gz	XRTZSXYFISFOQQ-KRWDZBQOSA-N	1	1	353.484	2.277	20	30		FEEDMO
CCOCC[C@@H](O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471019819	560996646	/nfs/dbraw/zinc/99/66/46/560996646.db2.gz	RLHJWLHAACLILQ-QZTJIDSGSA-N	1	1	351.878	2.310	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCN(C)C[C@H]2C(C)C)c(OC)c1	ZINC000471211254	561000713	/nfs/dbraw/zinc/00/07/13/561000713.db2.gz	ILBPLRQUQQWPMM-OALUTQOASA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)CN2CC[N@H+](C)C[C@H]2C(C)C)c(OC)c1	ZINC000471211254	561000714	/nfs/dbraw/zinc/00/07/14/561000714.db2.gz	ILBPLRQUQQWPMM-OALUTQOASA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)CN2CC[N@@H+](C)C[C@H]2C(C)C)c(OC)c1	ZINC000471211254	561000715	/nfs/dbraw/zinc/00/07/15/561000715.db2.gz	ILBPLRQUQQWPMM-OALUTQOASA-N	1	1	362.514	2.435	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@H](CC)CN1C(C)=O	ZINC000472313894	561024138	/nfs/dbraw/zinc/02/41/38/561024138.db2.gz	GVGOORMKFSVHFG-QRVBRYPASA-N	1	1	359.470	2.019	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccccc1C#Cc1ccccc1	ZINC000472875193	561036964	/nfs/dbraw/zinc/03/69/64/561036964.db2.gz	BBCPIVCAJUFGAR-HXUWFJFHSA-N	1	1	362.477	2.454	20	30		FEEDMO
C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cnn(C)c2C#N)C1	ZINC000474912877	561085290	/nfs/dbraw/zinc/08/52/90/561085290.db2.gz	SGWHBSSFLDAOMR-HNNXBMFYSA-N	1	1	351.454	2.454	20	30		FEEDMO
C[C@@H]1C[C@@H](CCNC(=O)c2cnn(C)c2C#N)C[N@H+]1Cc1ccccc1	ZINC000476453277	561119853	/nfs/dbraw/zinc/11/98/53/561119853.db2.gz	CEPXFGKTQILTCK-NVXWUHKLSA-N	1	1	351.454	2.322	20	30		FEEDMO
C[C@H]1C[C@@H](CCNC(=O)c2cnn(C)c2C#N)C[N@H+]1Cc1ccccc1	ZINC000476453276	561119898	/nfs/dbraw/zinc/11/98/98/561119898.db2.gz	CEPXFGKTQILTCK-DOTOQJQBSA-N	1	1	351.454	2.322	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1	ZINC000528418171	562328121	/nfs/dbraw/zinc/32/81/21/562328121.db2.gz	COEXQHKQXRTPFO-DENIHFKCSA-N	1	1	364.445	2.472	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1	ZINC000528418171	562328122	/nfs/dbraw/zinc/32/81/22/562328122.db2.gz	COEXQHKQXRTPFO-DENIHFKCSA-N	1	1	364.445	2.472	20	30		FEEDMO
CC(C)n1cnnc1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528422933	562328567	/nfs/dbraw/zinc/32/85/67/562328567.db2.gz	GRJLHPQQOPLICB-MSOLQXFVSA-N	1	1	369.469	2.350	20	30		FEEDMO
CC1(C)C[N@H+](C2(CNC(=O)Cc3ccc(C#N)nc3)CCCCC2)CCO1	ZINC000528497961	562332409	/nfs/dbraw/zinc/33/24/09/562332409.db2.gz	SEBAGNISYMSAED-UHFFFAOYSA-N	1	1	370.497	2.426	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCOC1	ZINC000528534671	562334714	/nfs/dbraw/zinc/33/47/14/562334714.db2.gz	CZMUMGVZXVZRNJ-LPHOPBHVSA-N	1	1	352.434	2.177	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@](CO)(c2cccc(F)c2)C1	ZINC000528546026	562335234	/nfs/dbraw/zinc/33/52/34/562335234.db2.gz	REMJBQNHCBMTGY-CTNGQTDRSA-N	1	1	370.424	2.073	20	30		FEEDMO
CC(C)[C@@H]1CN(CC(=O)NC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1	ZINC000528639196	562339484	/nfs/dbraw/zinc/33/94/84/562339484.db2.gz	KUDYSZDBYYNQAK-IBGZPJMESA-N	1	1	354.498	2.391	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2ccc(COC)c(C#N)c2)C[C@H]1[NH+]1CCOCC1	ZINC000529213635	562365196	/nfs/dbraw/zinc/36/51/96/562365196.db2.gz	TWCISGZXYRJKNM-HNAYVOBHSA-N	1	1	372.469	2.279	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2ncc(C#N)cc2C)cc1	ZINC000529833539	562387565	/nfs/dbraw/zinc/38/75/65/562387565.db2.gz	HJYDLBRYOAXZIF-QGZVFWFLSA-N	1	1	350.422	2.275	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2ncc(C#N)cc2C)cc1	ZINC000529833539	562387566	/nfs/dbraw/zinc/38/75/66/562387566.db2.gz	HJYDLBRYOAXZIF-QGZVFWFLSA-N	1	1	350.422	2.275	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)COc2ccc(C#N)cc2)cc1	ZINC000529834507	562387632	/nfs/dbraw/zinc/38/76/32/562387632.db2.gz	ZCTVPEHDSVOWJM-GOSISDBHSA-N	1	1	365.433	2.336	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)COc2ccc(C#N)cc2)cc1	ZINC000529834507	562387633	/nfs/dbraw/zinc/38/76/33/562387633.db2.gz	ZCTVPEHDSVOWJM-GOSISDBHSA-N	1	1	365.433	2.336	20	30		FEEDMO
C=CCc1cc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)cc(OC)c1OC	ZINC000532410664	562477009	/nfs/dbraw/zinc/47/70/09/562477009.db2.gz	XMDQRUANKNDJFO-UHFFFAOYSA-N	1	1	370.453	2.128	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000532438037	562478059	/nfs/dbraw/zinc/47/80/59/562478059.db2.gz	GDQVRMWUVMRQJR-DOTOQJQBSA-N	1	1	358.442	2.332	20	30		FEEDMO
COc1cc(C[N@H+](C)[C@H]2CCNC2=O)ccc1OCc1cccc(C#N)c1	ZINC000534661577	562539551	/nfs/dbraw/zinc/53/95/51/562539551.db2.gz	QBCLWURADLOYEU-SFHVURJKSA-N	1	1	365.433	2.466	20	30		FEEDMO
COc1cc(C[N@@H+](C)[C@H]2CCNC2=O)ccc1OCc1cccc(C#N)c1	ZINC000534661577	562539552	/nfs/dbraw/zinc/53/95/52/562539552.db2.gz	QBCLWURADLOYEU-SFHVURJKSA-N	1	1	365.433	2.466	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000534862520	562544088	/nfs/dbraw/zinc/54/40/88/562544088.db2.gz	OHCPOOOLOHUZMJ-CRAIPNDOSA-N	1	1	372.444	2.158	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000534862520	562544089	/nfs/dbraw/zinc/54/40/89/562544089.db2.gz	OHCPOOOLOHUZMJ-CRAIPNDOSA-N	1	1	372.444	2.158	20	30		FEEDMO
COC(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1C#N	ZINC000536542474	562578552	/nfs/dbraw/zinc/57/85/52/562578552.db2.gz	NUVMAKSLWVNLIR-HNAYVOBHSA-N	1	1	367.449	2.320	20	30		FEEDMO
COC(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1C#N	ZINC000536542474	562578553	/nfs/dbraw/zinc/57/85/53/562578553.db2.gz	NUVMAKSLWVNLIR-HNAYVOBHSA-N	1	1	367.449	2.320	20	30		FEEDMO
Cc1nnc(N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C#N)c1C	ZINC000536893715	562581978	/nfs/dbraw/zinc/58/19/78/562581978.db2.gz	PNZIWXXIQMYILW-GASCZTMLSA-N	1	1	373.501	2.060	20	30		FEEDMO
Cc1nnc(N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C#N)c1C	ZINC000536893715	562581979	/nfs/dbraw/zinc/58/19/79/562581979.db2.gz	PNZIWXXIQMYILW-GASCZTMLSA-N	1	1	373.501	2.060	20	30		FEEDMO
CC[N@@H+](CCc1cccs1)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000537039473	562584565	/nfs/dbraw/zinc/58/45/65/562584565.db2.gz	WLFDZRXYRTUCKC-SFHVURJKSA-N	1	1	362.543	2.305	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1	ZINC000540884792	562595702	/nfs/dbraw/zinc/59/57/02/562595702.db2.gz	XXPURYCKAOSHPR-QGZVFWFLSA-N	1	1	360.889	2.454	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH2+][C@H](CCO)c1ccccc1Br	ZINC000541025134	562600710	/nfs/dbraw/zinc/60/07/10/562600710.db2.gz	TYFBLLZBVKLVDM-OAHLLOKOSA-N	1	1	368.275	2.224	20	30		FEEDMO
C=C(Br)CNC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1	ZINC000806548971	674380826	/nfs/dbraw/zinc/38/08/26/674380826.db2.gz	KSMHKJNZACVWDA-HNNXBMFYSA-N	1	1	352.276	2.463	20	30		FEEDMO
C=C(Br)CNC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1	ZINC000806548971	674380828	/nfs/dbraw/zinc/38/08/28/674380828.db2.gz	KSMHKJNZACVWDA-HNNXBMFYSA-N	1	1	352.276	2.463	20	30		FEEDMO
Cc1nc(NC(=O)C(C)(C)C[NH+]2CCOCC2)sc1SCC#N	ZINC000602088286	567921996	/nfs/dbraw/zinc/92/19/96/567921996.db2.gz	KLKAHRKJWYQNGX-UHFFFAOYSA-N	1	1	354.501	2.364	20	30		FEEDMO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCN1CCN(Cc2ccccc2)CC1	ZINC000602499174	567983761	/nfs/dbraw/zinc/98/37/61/567983761.db2.gz	NXPKGJDBNFYMIA-FQEVSTJZSA-N	1	1	370.541	2.493	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@@H](C)CCC#N)CC2)cc1	ZINC000602484829	567985263	/nfs/dbraw/zinc/98/52/63/567985263.db2.gz	IWJQRBBUDJVXAW-INIZCTEOSA-N	1	1	365.499	2.331	20	30		FEEDMO
C[C@@H]1CN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H](C)N1CC#N	ZINC000602852596	568001653	/nfs/dbraw/zinc/00/16/53/568001653.db2.gz	DCDZXKHTAJWQQI-SFHLNBCPSA-N	1	1	356.514	2.196	20	30		FEEDMO
CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H]1CCN(CC(F)(F)F)C1	ZINC000602893148	568009244	/nfs/dbraw/zinc/00/92/44/568009244.db2.gz	TXTMKMPUURNQBG-CQSZACIVSA-N	1	1	360.424	2.288	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)CCC1	ZINC000602876841	568010279	/nfs/dbraw/zinc/01/02/79/568010279.db2.gz	CJPXEDYVHQYGNF-UHFFFAOYSA-N	1	1	364.453	2.214	20	30		FEEDMO
N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1	ZINC000602821604	568045195	/nfs/dbraw/zinc/04/51/95/568045195.db2.gz	PFFAKJNWZSSLRH-DLBZAZTESA-N	1	1	356.861	2.301	20	30		FEEDMO
COc1cc(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1C#N	ZINC000568821566	568228677	/nfs/dbraw/zinc/22/86/77/568228677.db2.gz	BVXFNFJIYFMEEL-MSOLQXFVSA-N	1	1	372.469	2.009	20	30		FEEDMO
CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000569310240	568361717	/nfs/dbraw/zinc/36/17/17/568361717.db2.gz	MIMWCEXGOSBSOA-ZDUSSCGKSA-N	1	1	362.499	2.408	20	30		FEEDMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000569310240	568361718	/nfs/dbraw/zinc/36/17/18/568361718.db2.gz	MIMWCEXGOSBSOA-ZDUSSCGKSA-N	1	1	362.499	2.408	20	30		FEEDMO
N#Cc1cc(Br)cn(Cc2[nH+]ccn2CC(F)(F)F)c1=O	ZINC000570130469	568453096	/nfs/dbraw/zinc/45/30/96/568453096.db2.gz	QWJZOUJFYCFUSG-UHFFFAOYSA-N	1	1	361.121	2.290	20	30		FEEDMO
C#C[C@H](NC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)C(C)(C)C	ZINC000807883129	674433204	/nfs/dbraw/zinc/43/32/04/674433204.db2.gz	HSKDSPUFNFVSCA-HNNXBMFYSA-N	1	1	351.491	2.140	20	30		FEEDMO
C=C(Br)C[N@H+](C)[C@@H](C)C1CCN(S(=O)(=O)CC)CC1	ZINC000808775757	674471843	/nfs/dbraw/zinc/47/18/43/674471843.db2.gz	JNZIYRWJFXAACX-LBPRGKRZSA-N	1	1	353.326	2.277	20	30		FEEDMO
COC(=O)C[C@]1([NH2+]Cc2ccc(Br)cc2C#N)CCOC1	ZINC000558117063	674483586	/nfs/dbraw/zinc/48/35/86/674483586.db2.gz	ODTRSPMDNPHVEV-OAHLLOKOSA-N	1	1	353.216	2.133	20	30		FEEDMO
O=C(NC[C@@H]1CCC[N@H+](CCOCC(F)(F)C(F)F)C1)C(F)(F)F	ZINC000810068168	674529073	/nfs/dbraw/zinc/52/90/73/674529073.db2.gz	JOTNWFAYKKIGCB-VIFPVBQESA-N	1	1	368.293	2.294	20	30		FEEDMO
CC(=O)NCC[N@H+](CCOCCC#N)Cc1ccc(Br)s1	ZINC000559185385	674531929	/nfs/dbraw/zinc/53/19/29/674531929.db2.gz	CHXWJUQWRSBXOP-UHFFFAOYSA-N	1	1	374.304	2.379	20	30		FEEDMO
CC(=O)NCC[N@@H+](CCOCCC#N)Cc1ccc(Br)s1	ZINC000559185385	674531931	/nfs/dbraw/zinc/53/19/31/674531931.db2.gz	CHXWJUQWRSBXOP-UHFFFAOYSA-N	1	1	374.304	2.379	20	30		FEEDMO
N#Cc1csc(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)n1	ZINC000810145614	674534724	/nfs/dbraw/zinc/53/47/24/674534724.db2.gz	FMEHPOFVQNFKKI-GFCCVEGCSA-N	1	1	351.815	2.263	20	30		FEEDMO
Cc1ccc(-c2nn[nH]n2)nc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000826280868	608542640	/nfs/dbraw/zinc/54/26/40/608542640.db2.gz	UGFJRQGOUOBHBX-UHFFFAOYSA-N	1	1	374.452	2.154	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(-c2csc(C)n2)s1	ZINC000815082370	674913968	/nfs/dbraw/zinc/91/39/68/674913968.db2.gz	NMQTTXQQOSUKBC-UHFFFAOYSA-N	1	1	369.537	2.413	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)N1CC(C)(C)c2c1cccc2Cl	ZINC000815860395	674978860	/nfs/dbraw/zinc/97/88/60/674978860.db2.gz	JHYFYWDJBIMVOI-UHFFFAOYSA-N	1	1	361.873	2.036	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(-c2cccs2)c1	ZINC000815861716	674979030	/nfs/dbraw/zinc/97/90/30/674979030.db2.gz	WFHZJVXTHDSPMB-UHFFFAOYSA-N	1	1	355.463	2.425	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@@H]2C1	ZINC001049069981	675022454	/nfs/dbraw/zinc/02/24/54/675022454.db2.gz	ZWHHUFNRRCWFEA-WTTBNOFXSA-N	1	1	361.873	2.216	20	30		FEEDMO
CC1=C[C@@H](C)C[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000569181735	670520682	/nfs/dbraw/zinc/52/06/82/670520682.db2.gz	WOTZSAQJKMCJFI-NVXWUHKLSA-N	1	1	358.511	2.355	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)nn1	ZINC000569962022	670640863	/nfs/dbraw/zinc/64/08/63/670640863.db2.gz	NWQVAYCNUQNSSZ-LBPRGKRZSA-N	1	1	357.241	2.300	20	30		FEEDMO
FC(F)(F)Oc1ccc(C#CCN2CCN(c3[nH]cc[nH+]3)CC2)cc1	ZINC000571414055	670871229	/nfs/dbraw/zinc/87/12/29/670871229.db2.gz	DEZOUXMSCFAVRF-UHFFFAOYSA-N	1	1	350.344	2.482	20	30		FEEDMO
C[N@@H+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC12CCCCC2	ZINC000572175300	670969935	/nfs/dbraw/zinc/96/99/35/670969935.db2.gz	FPUZDAHRUWMYPZ-UHFFFAOYSA-N	1	1	361.511	2.282	20	30		FEEDMO
C[N@H+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC12CCCCC2	ZINC000572175300	670969939	/nfs/dbraw/zinc/96/99/39/670969939.db2.gz	FPUZDAHRUWMYPZ-UHFFFAOYSA-N	1	1	361.511	2.282	20	30		FEEDMO
COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000574007225	671191556	/nfs/dbraw/zinc/19/15/56/671191556.db2.gz	DNBVTFNSVDYQPJ-OAHLLOKOSA-N	1	1	356.344	2.323	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1	ZINC000609403377	675921428	/nfs/dbraw/zinc/92/14/28/675921428.db2.gz	QVGOIDAMISIKAR-KGLIPLIRSA-N	1	1	360.483	2.087	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccnc(OC(F)F)c2)cc1	ZINC000578128247	671642741	/nfs/dbraw/zinc/64/27/41/671642741.db2.gz	UMHLCBPGDZYVFV-UHFFFAOYSA-N	1	1	367.377	2.118	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000580151329	671785957	/nfs/dbraw/zinc/78/59/57/671785957.db2.gz	PSQJBWBYJQQIIY-VQHPVUNQSA-N	1	1	353.507	2.155	20	30		FEEDMO
COC(=O)[C@@H]1CN(c2cc(Br)c(C#N)cc2F)CC[N@@H+](C)C1	ZINC000583153784	672068475	/nfs/dbraw/zinc/06/84/75/672068475.db2.gz	SEUXFMWVJUBQRT-NSHDSACASA-N	1	1	370.222	2.001	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)OC(C)(C)C	ZINC000130022400	672069425	/nfs/dbraw/zinc/06/94/25/672069425.db2.gz	FKGMFJQOURLLSV-KDOFPFPSSA-N	1	1	354.495	2.228	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)OC(C)(C)C	ZINC000130022400	672069428	/nfs/dbraw/zinc/06/94/28/672069428.db2.gz	FKGMFJQOURLLSV-KDOFPFPSSA-N	1	1	354.495	2.228	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)c2cscc2C#N)c2cccs2)CC1	ZINC000583395567	672090676	/nfs/dbraw/zinc/09/06/76/672090676.db2.gz	BTEUUYFTTFDGBD-HNNXBMFYSA-N	1	1	360.508	2.400	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1	ZINC000170959402	672327714	/nfs/dbraw/zinc/32/77/14/672327714.db2.gz	NYKKENJAXINXKH-UHFFFAOYSA-N	1	1	352.479	2.080	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3nccs3)CC2)cc1	ZINC000194536325	672762147	/nfs/dbraw/zinc/76/21/47/672762147.db2.gz	ZTYOMMIIXJUPLC-UHFFFAOYSA-N	1	1	355.467	2.432	20	30		FEEDMO
Cn1ccnc1[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(C)(C)CO	ZINC000592432138	672801642	/nfs/dbraw/zinc/80/16/42/672801642.db2.gz	FLCFCJZGQLLKKJ-CQSZACIVSA-N	1	1	361.471	2.031	20	30		FEEDMO
C[C@H](O)[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1F	ZINC000592430876	672801759	/nfs/dbraw/zinc/80/17/59/672801759.db2.gz	CGENQARCGJPOFA-UGSOOPFHSA-N	1	1	362.426	2.183	20	30		FEEDMO
CCOc1ccc(O)c(/C=N\C[C@@]2([NH+]3CCOCC3)CCSC2)c1	ZINC000255424483	672890559	/nfs/dbraw/zinc/89/05/59/672890559.db2.gz	BBXDDFAOKLLAHZ-IZILLXMLSA-N	1	1	350.484	2.418	20	30		FEEDMO
O=C(NCC[NH2+]Cc1csc(-c2cccs2)n1)C1N=CC=CC1=O	ZINC000255501452	672891765	/nfs/dbraw/zinc/89/17/65/672891765.db2.gz	BMBWOOFLAGSYIZ-CCEZHUSRSA-N	1	1	360.464	2.488	20	30		FEEDMO
CC[N@H+]1CC[C@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1	ZINC000593416085	672920602	/nfs/dbraw/zinc/92/06/02/672920602.db2.gz	VUCCTVCMPSABPU-GFCCVEGCSA-N	1	1	350.260	2.321	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCCN(Cc2cscn2)CC1	ZINC000328898141	673069257	/nfs/dbraw/zinc/06/92/57/673069257.db2.gz	XWLHDHBKIRKXDI-SJORKVTESA-N	1	1	363.531	2.192	20	30		FEEDMO
CC1(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCCCC1	ZINC000329244370	673073772	/nfs/dbraw/zinc/07/37/72/673073772.db2.gz	UKZDIGZDQUTJQY-INIZCTEOSA-N	1	1	351.491	2.379	20	30		FEEDMO
O=C(N[C@H]1CC(=O)N(c2ccccc2Cl)C1)N1CC[N@H+]2CCC[C@H]2C1	ZINC000329451280	673077385	/nfs/dbraw/zinc/07/73/85/673077385.db2.gz	MZCMCCSTGGMWIY-KBPBESRZSA-N	1	1	362.861	2.139	20	30		FEEDMO
CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)CC1	ZINC000330039299	673085264	/nfs/dbraw/zinc/08/52/64/673085264.db2.gz	FIAFQYVQIBBWQF-IRXDYDNUSA-N	1	1	353.507	2.171	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCC2CCCCC2)CC1	ZINC000330136357	673085791	/nfs/dbraw/zinc/08/57/91/673085791.db2.gz	NGXNOUONCSIZJL-QGZVFWFLSA-N	1	1	350.507	2.109	20	30		FEEDMO
N#Cc1cc(Cl)cc(Br)c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	ZINC000594604589	673105462	/nfs/dbraw/zinc/10/54/62/673105462.db2.gz	YWINQMUMIQZPIV-NWDGAFQWSA-N	1	1	356.651	2.229	20	30		FEEDMO
N#Cc1cc(Cl)cc(Br)c1N1CC[N@H+]2C[C@H](O)C[C@H]2C1	ZINC000594604589	673105463	/nfs/dbraw/zinc/10/54/63/673105463.db2.gz	YWINQMUMIQZPIV-NWDGAFQWSA-N	1	1	356.651	2.229	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000595353966	673231125	/nfs/dbraw/zinc/23/11/25/673231125.db2.gz	KQZPGNYIAPUYFC-LLVKDONJSA-N	1	1	372.288	2.083	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)c(Cl)c1	ZINC000595551337	673265316	/nfs/dbraw/zinc/26/53/16/673265316.db2.gz	ISKLPFRVUPULMQ-UHFFFAOYSA-N	1	1	362.861	2.218	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1ccc(OC)c(OC(F)F)c1	ZINC000730282484	673268669	/nfs/dbraw/zinc/26/86/69/673268669.db2.gz	MMYGXQMIKGWDRC-AWEZNQCLSA-N	1	1	352.381	2.053	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(OC)c(OC(F)F)c1	ZINC000730282484	673268671	/nfs/dbraw/zinc/26/86/71/673268671.db2.gz	MMYGXQMIKGWDRC-AWEZNQCLSA-N	1	1	352.381	2.053	20	30		FEEDMO
Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccsc3C#N)CC2)cc1	ZINC000595632831	673276597	/nfs/dbraw/zinc/27/65/97/673276597.db2.gz	ITQIQAOWWCMVAK-MRXNPFEDSA-N	1	1	357.479	2.490	20	30		FEEDMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc(F)c(C#N)c(F)c2)C[C@H](C)O1	ZINC000596696180	673405130	/nfs/dbraw/zinc/40/51/30/673405130.db2.gz	YDSBEQVDAAREPB-RYUDHWBXSA-N	1	1	351.397	2.454	20	30		FEEDMO
CC[N@H+]1CCC(=NNS(=O)(=O)c2ccc(Br)cc2)[C@@H](C)C1	ZINC000741451729	673687433	/nfs/dbraw/zinc/68/74/33/673687433.db2.gz	NPRQVEOEYQGQJX-NSHDSACASA-N	1	1	374.304	2.445	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2cc(Br)ccc2OC)CC1	ZINC000742060023	673705483	/nfs/dbraw/zinc/70/54/83/673705483.db2.gz	LCJVHQRYTGRWNX-UHFFFAOYSA-N	1	1	365.271	2.168	20	30		FEEDMO
CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(Cl)ccc1OCC#N)CC2	ZINC000742428429	673727590	/nfs/dbraw/zinc/72/75/90/673727590.db2.gz	MSSQUGKSJRYRDE-UHFFFAOYSA-N	1	1	358.829	2.377	20	30		FEEDMO
CCn1nc2c(cc1=O)C[N@H+](Cc1cc(Cl)ccc1OCC#N)CC2	ZINC000742428429	673727593	/nfs/dbraw/zinc/72/75/93/673727593.db2.gz	MSSQUGKSJRYRDE-UHFFFAOYSA-N	1	1	358.829	2.377	20	30		FEEDMO
C[C@@H](C(=O)NC1(c2ccc(C#N)cc2)CCOCC1)[NH+]1CCSCC1	ZINC000600478872	673772364	/nfs/dbraw/zinc/77/23/64/673772364.db2.gz	UGJIAIOCYVHAOX-HNNXBMFYSA-N	1	1	359.495	2.117	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=S)NNc1oc(CC(C)C)nc1C#N	ZINC000745735781	673848847	/nfs/dbraw/zinc/84/88/47/673848847.db2.gz	GNOLGXLNWYGGCR-GFCCVEGCSA-N	1	1	350.492	2.020	20	30		FEEDMO
N#Cc1cc(N2CCC[C@H]2C[NH+]2CCOCC2)ncc1Br	ZINC000603343003	673925660	/nfs/dbraw/zinc/92/56/60/673925660.db2.gz	HTDFGLWQMUXOOZ-ZDUSSCGKSA-N	1	1	351.248	2.017	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000818606152	675228162	/nfs/dbraw/zinc/22/81/62/675228162.db2.gz	FJUBYOZNADPVQB-UHFFFAOYSA-N	1	1	351.491	2.095	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H](C)C1	ZINC000819527296	675296501	/nfs/dbraw/zinc/29/65/01/675296501.db2.gz	KSZIOBPRMKFGSP-CABCVRRESA-N	1	1	352.479	2.126	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819575550	675302069	/nfs/dbraw/zinc/30/20/69/675302069.db2.gz	GAVCXLFHTPBKEF-HUUCEWRRSA-N	1	1	352.479	2.126	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)nn1	ZINC000567692801	675313240	/nfs/dbraw/zinc/31/32/40/675313240.db2.gz	DCYBTFNAGHIARQ-ZDUSSCGKSA-N	1	1	356.348	2.012	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)C#Cc2cccs2)c2cccs2)CC1	ZINC000825888257	675672940	/nfs/dbraw/zinc/67/29/40/675672940.db2.gz	VSXFHZGTNLKXAD-INIZCTEOSA-N	1	1	359.520	2.266	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1	ZINC000603840833	675801502	/nfs/dbraw/zinc/80/15/02/675801502.db2.gz	ZEBCWJBVTPSMQD-HOCLYGCPSA-N	1	1	358.360	2.341	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CCNC(=O)COc1cccc(Br)c1C#N	ZINC000828840141	675847924	/nfs/dbraw/zinc/84/79/24/675847924.db2.gz	LPKNPAJZSNMUOM-GFCCVEGCSA-N	1	1	366.259	2.300	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC(N3CN=NC3=O)CC2)c(Br)c1	ZINC000619569052	676385435	/nfs/dbraw/zinc/38/54/35/676385435.db2.gz	XRXNQXYSSYGHMO-UHFFFAOYSA-N	1	1	362.231	2.455	20	30		FEEDMO
COCC1([N@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000677726763	679695036	/nfs/dbraw/zinc/69/50/36/679695036.db2.gz	QLSLZHCKLMXIOM-UHFFFAOYSA-N	1	1	354.372	2.284	20	30		FEEDMO
COCC1([N@@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000677726763	679695039	/nfs/dbraw/zinc/69/50/39/679695039.db2.gz	QLSLZHCKLMXIOM-UHFFFAOYSA-N	1	1	354.372	2.284	20	30		FEEDMO
C=CC(C)(C)CCNC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1	ZINC000625399134	676645249	/nfs/dbraw/zinc/64/52/49/676645249.db2.gz	CXGGOOHMUNLGRK-UHFFFAOYSA-N	1	1	363.527	2.153	20	30		FEEDMO
C[C@@H]1CN(Cn2nc(CC#N)n(C)c2=S)CC[N@H+]1Cc1ccccc1	ZINC000840178979	680804983	/nfs/dbraw/zinc/80/49/83/680804983.db2.gz	PMHCMMQCBKSWNG-OAHLLOKOSA-N	1	1	356.499	2.181	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CCSC[C@H](C(=O)OC)C2)c(O)c(OC)c1	ZINC000840185875	680805587	/nfs/dbraw/zinc/80/55/87/680805587.db2.gz	IQLYBHBSYCMFSV-OAHLLOKOSA-N	1	1	351.468	2.467	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H](C)S[C@@H](C)C1	ZINC000669033958	679216184	/nfs/dbraw/zinc/21/61/84/679216184.db2.gz	DSVLZFWZCYZCIH-JONQDZQNSA-N	1	1	363.531	2.330	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCS[C@H](C)[C@H]1C	ZINC000669033435	679216232	/nfs/dbraw/zinc/21/62/32/679216232.db2.gz	PFODKHGYHDRCMY-FPCVCCKLSA-N	1	1	363.531	2.330	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C	ZINC000749491212	680054615	/nfs/dbraw/zinc/05/46/15/680054615.db2.gz	WHYFLFFWRSJFHM-HUUCEWRRSA-N	1	1	352.479	2.126	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C	ZINC000749491212	680054621	/nfs/dbraw/zinc/05/46/21/680054621.db2.gz	WHYFLFFWRSJFHM-HUUCEWRRSA-N	1	1	352.479	2.126	20	30		FEEDMO
C=CCC[C@@H]1CCCN1C(=O)NC1CC[NH+](CC(=O)NCCC)CC1	ZINC000912013666	685299090	/nfs/dbraw/zinc/29/90/90/685299090.db2.gz	YEDRYMGBIKOATB-QGZVFWFLSA-N	1	1	350.507	2.117	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cncs3)C[C@H]21	ZINC000978830050	680181312	/nfs/dbraw/zinc/18/13/12/680181312.db2.gz	KCRUUCNOXFCTRL-TXTZMMAHSA-N	1	1	361.511	2.308	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CCOCC2)C1	ZINC001023599816	680265063	/nfs/dbraw/zinc/26/50/63/680265063.db2.gz	VTKITSIKRMOQQM-QRVBRYPASA-N	1	1	350.503	2.222	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](C[C@@H](C)OC)C2	ZINC000982060852	680265661	/nfs/dbraw/zinc/26/56/61/680265661.db2.gz	GGGZKQGQOWGYRE-SQNIBIBYSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CCC([NH2+]Cc2csnn2)CC1	ZINC001026496032	680344782	/nfs/dbraw/zinc/34/47/82/680344782.db2.gz	GGCFLZQGJJRJKB-GMEATFMZSA-N	1	1	350.488	2.036	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nnsc2Cl)C1	ZINC001026850511	680350697	/nfs/dbraw/zinc/35/06/97/680350697.db2.gz	XVGYNVWUCSFKTL-SCRDCRAPSA-N	1	1	370.906	2.111	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCOCC2)C1	ZINC001027415410	680356353	/nfs/dbraw/zinc/35/63/53/680356353.db2.gz	KZFMOBHHAKZMNN-QRVBRYPASA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCOCC2)C1	ZINC001027415409	680356495	/nfs/dbraw/zinc/35/64/95/680356495.db2.gz	KZFMOBHHAKZMNN-OTWHNJEPSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(Br)CN(C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC001027417172	680356514	/nfs/dbraw/zinc/35/65/14/680356514.db2.gz	WLLPTACIDSMAHK-RBSFLKMASA-N	1	1	358.324	2.158	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCc2scnc2C)C1	ZINC001028860578	680386026	/nfs/dbraw/zinc/38/60/26/680386026.db2.gz	AIBMZBDISHSREI-RYRKJORJSA-N	1	1	363.527	2.413	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2snnc2C)C1	ZINC001029864952	680394655	/nfs/dbraw/zinc/39/46/55/680394655.db2.gz	UMQYQRPQSCYMJT-VYDXJSESSA-N	1	1	364.515	2.108	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](O)C2CCCCC2)C1	ZINC001031076998	680404355	/nfs/dbraw/zinc/40/43/55/680404355.db2.gz	DTDFVOSCAGFDQZ-FHWLQOOXSA-N	1	1	350.503	2.099	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](O)C2CCCCC2)C1	ZINC001031077001	680404452	/nfs/dbraw/zinc/40/44/52/680404452.db2.gz	DTDFVOSCAGFDQZ-OTWHNJEPSA-N	1	1	350.503	2.099	20	30		FEEDMO
CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1	ZINC001033279551	680421276	/nfs/dbraw/zinc/42/12/76/680421276.db2.gz	BJXCKAOOIJUDBU-QGTPRVQTSA-N	1	1	359.495	2.468	20	30		FEEDMO
CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC001033279551	680421278	/nfs/dbraw/zinc/42/12/78/680421278.db2.gz	BJXCKAOOIJUDBU-QGTPRVQTSA-N	1	1	359.495	2.468	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nc(C(C)C)ns2)C1	ZINC001000239581	680424770	/nfs/dbraw/zinc/42/47/70/680424770.db2.gz	CFLPKOSITXEXHJ-ZNMIVQPWSA-N	1	1	364.515	2.333	20	30		FEEDMO
C=C(Br)CN1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC001034213980	680431057	/nfs/dbraw/zinc/43/10/57/680431057.db2.gz	FQVHRKODOJMNOK-QLFBSQMISA-N	1	1	358.324	2.206	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(CC)s1	ZINC001034941443	680441149	/nfs/dbraw/zinc/44/11/49/680441149.db2.gz	KEIVZLSTXOMVLA-KFWWJZLASA-N	1	1	364.515	2.162	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CC2CCCCC2)CCO1	ZINC001035543830	680450389	/nfs/dbraw/zinc/45/03/89/680450389.db2.gz	WPEVJPUEAYHJNX-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCOCC1	ZINC001038265614	680454225	/nfs/dbraw/zinc/45/42/25/680454225.db2.gz	FVXOFPKVHYOYQY-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N(C)Cc1csc([C@H](C)OCC)n1	ZINC000836488986	680476118	/nfs/dbraw/zinc/47/61/18/680476118.db2.gz	SNIICVLKVOKNDX-AWEZNQCLSA-N	1	1	352.504	2.337	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)COc1ccc(Br)cc1	ZINC000756545939	680484409	/nfs/dbraw/zinc/48/44/09/680484409.db2.gz	XIUGRVOOWBQGOU-AWEZNQCLSA-N	1	1	352.228	2.469	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2	ZINC001003861361	680544415	/nfs/dbraw/zinc/54/44/15/680544415.db2.gz	BDGBCUJHAMKEJD-WCVJEAGWSA-N	1	1	367.921	2.498	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1	ZINC001004438356	680556375	/nfs/dbraw/zinc/55/63/75/680556375.db2.gz	OSUUMWKEZAYPJO-QYZOEREBSA-N	1	1	350.503	2.053	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CCO)C2)C1	ZINC001045972464	680642770	/nfs/dbraw/zinc/64/27/70/680642770.db2.gz	BDNLNZKWDOLZBA-BJLQDIEVSA-N	1	1	350.503	2.055	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1	ZINC000768384864	680945576	/nfs/dbraw/zinc/94/55/76/680945576.db2.gz	DIGQVFQOMOAPSB-CVEARBPZSA-N	1	1	355.479	2.053	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1	ZINC000768384864	680945579	/nfs/dbraw/zinc/94/55/79/680945579.db2.gz	DIGQVFQOMOAPSB-CVEARBPZSA-N	1	1	355.479	2.053	20	30		FEEDMO
C#CC[N@H+](C[C@@H]1CCC(=O)N1)[C@H]1CCOc2ccc(Br)cc21	ZINC000844296512	681048543	/nfs/dbraw/zinc/04/85/43/681048543.db2.gz	JEDPXVCBPHQGRB-ZFWWWQNUSA-N	1	1	363.255	2.487	20	30		FEEDMO
C#CC[N@@H+](C[C@@H]1CCC(=O)N1)[C@H]1CCOc2ccc(Br)cc21	ZINC000844296512	681048544	/nfs/dbraw/zinc/04/85/44/681048544.db2.gz	JEDPXVCBPHQGRB-ZFWWWQNUSA-N	1	1	363.255	2.487	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C	ZINC000844402648	681056969	/nfs/dbraw/zinc/05/69/69/681056969.db2.gz	RPVQUPPEEWQMPU-JKSUJKDBSA-N	1	1	351.491	2.141	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CCC1CCCC1	ZINC001050924632	681058122	/nfs/dbraw/zinc/05/81/22/681058122.db2.gz	IBJMSWQFQRBEIA-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CCC1CCCC1	ZINC001050924632	681058124	/nfs/dbraw/zinc/05/81/24/681058124.db2.gz	IBJMSWQFQRBEIA-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2csnc2OC)CC1	ZINC001052721249	681084099	/nfs/dbraw/zinc/08/40/99/681084099.db2.gz	BFESOZBADZVUME-XHSDSOJGSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2csnc2OC)CC1	ZINC001052721249	681084100	/nfs/dbraw/zinc/08/41/00/681084100.db2.gz	BFESOZBADZVUME-XHSDSOJGSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCO[C@H]1C(C)C)CCO2	ZINC001053261048	681093959	/nfs/dbraw/zinc/09/39/59/681093959.db2.gz	STPNWCYQHXIQRG-ROUUACIJSA-N	1	1	350.503	2.317	20	30		FEEDMO
C[C@@H]1[C@H](COC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC[N@H+]1C	ZINC000845816386	681154466	/nfs/dbraw/zinc/15/44/66/681154466.db2.gz	USEJFDKBKXZJFE-ZBFHGGJFSA-N	1	1	364.467	2.261	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](Nc3snc(C)c3C#N)C2)CC[N@H+]1C	ZINC001057770099	681164122	/nfs/dbraw/zinc/16/41/22/681164122.db2.gz	SRFBELKGJPWCFR-OFQRWUPVSA-N	1	1	361.515	2.456	20	30		FEEDMO
COC(=O)c1cnc([C@@H]2CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)s1	ZINC000932670200	681282307	/nfs/dbraw/zinc/28/23/07/681282307.db2.gz	VYCZUTSDZLABCB-CABCVRRESA-N	1	1	357.435	2.324	20	30		FEEDMO
COC(=O)c1cnc([C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)s1	ZINC000932670202	681282587	/nfs/dbraw/zinc/28/25/87/681282587.db2.gz	VYCZUTSDZLABCB-HUUCEWRRSA-N	1	1	357.435	2.324	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](CO)C[C@@H](OCCOC)C1	ZINC000775207035	681285383	/nfs/dbraw/zinc/28/53/83/681285383.db2.gz	ZVJXKYHJVBBXPV-HZPDHXFCSA-N	1	1	367.873	2.198	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](CO)C[C@@H](OCCOC)C1	ZINC000775207035	681285388	/nfs/dbraw/zinc/28/53/88/681285388.db2.gz	ZVJXKYHJVBBXPV-HZPDHXFCSA-N	1	1	367.873	2.198	20	30		FEEDMO
Cc1[nH+]ccn1-c1ncccc1CNC(=O)N[C@@H](CC#N)C(F)(F)F	ZINC000932915797	681327587	/nfs/dbraw/zinc/32/75/87/681327587.db2.gz	OPARZJOIWCWXJF-LBPRGKRZSA-N	1	1	352.320	2.220	20	30		FEEDMO
C=C(CC)C[N@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1	ZINC000776837156	681439553	/nfs/dbraw/zinc/43/95/53/681439553.db2.gz	FHKVLXVKJICBEE-MRXNPFEDSA-N	1	1	351.491	2.496	20	30		FEEDMO
C=C(CC)C[N@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1	ZINC000776837152	681439575	/nfs/dbraw/zinc/43/95/75/681439575.db2.gz	FHKVLXVKJICBEE-INIZCTEOSA-N	1	1	351.491	2.496	20	30		FEEDMO
COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)Cc2cc(C#N)cs2)cc1	ZINC000933779385	681467399	/nfs/dbraw/zinc/46/73/99/681467399.db2.gz	CAILQAMMHGZNCS-OAHLLOKOSA-N	1	1	360.435	2.278	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(Br)c(C)nc1OC	ZINC000777309657	681480961	/nfs/dbraw/zinc/48/09/61/681480961.db2.gz	CWRGDAGDJLMCKK-LBPRGKRZSA-N	1	1	367.243	2.416	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(Br)c(C)nc1OC	ZINC000777309657	681480964	/nfs/dbraw/zinc/48/09/64/681480964.db2.gz	CWRGDAGDJLMCKK-LBPRGKRZSA-N	1	1	367.243	2.416	20	30		FEEDMO
CCNS(=O)(=O)c1cccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)c1	ZINC000848630271	681591896	/nfs/dbraw/zinc/59/18/96/681591896.db2.gz	JSYYBYKMXVFIBP-CQSZACIVSA-N	1	1	363.443	2.119	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCOC[C@@H]1CC1CCOCC1	ZINC000934641138	681604238	/nfs/dbraw/zinc/60/42/38/681604238.db2.gz	DGJUAAQEVPMZEF-INIZCTEOSA-N	1	1	363.483	2.466	20	30		FEEDMO
CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cc(C#N)ccc2F)CC1	ZINC000934760078	681625717	/nfs/dbraw/zinc/62/57/17/681625717.db2.gz	XERLXYGCMYRRLD-XMMPIXPASA-N	1	1	352.479	2.484	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)C[N@@H+](C(C)C)CCO2	ZINC000949489800	681643843	/nfs/dbraw/zinc/64/38/43/681643843.db2.gz	QXMWFKBBBPRYGC-ROUUACIJSA-N	1	1	350.503	2.460	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cc1	ZINC000934836978	681645695	/nfs/dbraw/zinc/64/56/95/681645695.db2.gz	GZHBEOGRZDNVSP-MSOLQXFVSA-N	1	1	362.495	2.471	20	30		FEEDMO
C=C(Br)CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1	ZINC000849512125	681755696	/nfs/dbraw/zinc/75/56/96/681755696.db2.gz	YRPCVYFGWNYREO-CABCVRRESA-N	1	1	369.307	2.259	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@H]2CCCCO2)C1	ZINC000952433323	681784469	/nfs/dbraw/zinc/78/44/69/681784469.db2.gz	XAINNVBHJMRDIE-QYZOEREBSA-N	1	1	350.503	2.460	20	30		FEEDMO
C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000780866114	681879392	/nfs/dbraw/zinc/87/93/92/681879392.db2.gz	IOFOLBZKYRNUCK-NSHDSACASA-N	1	1	361.389	2.340	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@H]21	ZINC000962015754	682106868	/nfs/dbraw/zinc/10/68/68/682106868.db2.gz	IFLNNOFYFJLGHV-DTJSUFBGSA-N	1	1	361.873	2.263	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@H]21	ZINC000962015754	682106871	/nfs/dbraw/zinc/10/68/71/682106871.db2.gz	IFLNNOFYFJLGHV-DTJSUFBGSA-N	1	1	361.873	2.263	20	30		FEEDMO
Cc1cc(CN=Nc2cncc(Cl)n2)c(C)n1CC[NH+]1CCOCC1	ZINC000915959849	685519909	/nfs/dbraw/zinc/51/99/09/685519909.db2.gz	YIJITVFPSDXLNC-UHFFFAOYSA-N	1	1	362.865	2.327	20	30		FEEDMO
C[N@@H+](CC(=O)NC1(C#N)CCC1)CC(C)(C)CNC(=O)OC(C)(C)C	ZINC000784342213	682217960	/nfs/dbraw/zinc/21/79/60/682217960.db2.gz	PFTWCZKNPBJMCY-UHFFFAOYSA-N	1	1	352.479	2.032	20	30		FEEDMO
N#Cc1ccc(CC[N@@H+]2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1	ZINC000852134546	682225487	/nfs/dbraw/zinc/22/54/87/682225487.db2.gz	FQANFFSXRAPNJP-CVEARBPZSA-N	1	1	351.372	2.443	20	30		FEEDMO
O=C(C#CC1CC[NH2+]CC1)NC1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000852855744	682350823	/nfs/dbraw/zinc/35/08/23/682350823.db2.gz	NPEJZBLJRGKBLK-UHFFFAOYSA-N	1	1	359.901	2.424	20	30		FEEDMO
C=CCC[N@@H+](C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000786102404	682350985	/nfs/dbraw/zinc/35/09/85/682350985.db2.gz	PEXWLPJCRURWTH-UHFFFAOYSA-N	1	1	366.215	2.210	20	30		FEEDMO
C=CCC[N@H+](C)CN1C(=O)C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000786102404	682350988	/nfs/dbraw/zinc/35/09/88/682350988.db2.gz	PEXWLPJCRURWTH-UHFFFAOYSA-N	1	1	366.215	2.210	20	30		FEEDMO
O=[N+]([O-])c1ccc(N2CCC(=[NH+]n3cc(Br)cn3)CC2)cn1	ZINC000853325354	682405981	/nfs/dbraw/zinc/40/59/81/682405981.db2.gz	ULALURYCHIQGAD-UHFFFAOYSA-N	1	1	365.191	2.453	20	30		FEEDMO
C#CCN(CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)C(=O)OC(C)(C)C	ZINC000855162734	682634456	/nfs/dbraw/zinc/63/44/56/682634456.db2.gz	MEPIQGRQYXWLRJ-OAHLLOKOSA-N	1	1	351.491	2.093	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2NC1=O)[C@@H]1CCCO1	ZINC000859258356	683067103	/nfs/dbraw/zinc/06/71/03/683067103.db2.gz	NHHHEAZKLLOQOF-IMJJTQAJSA-N	1	1	363.255	2.473	20	30		FEEDMO
C=CCn1c(C2CC2)nn(CN2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1=S	ZINC000795700548	683082436	/nfs/dbraw/zinc/08/24/36/683082436.db2.gz	NEFJHXLNGLHZQQ-ZBFHGGJFSA-N	1	1	363.531	2.230	20	30		FEEDMO
N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H]1CCC[N@H+]1C1CCCCC1	ZINC000797840430	683279779	/nfs/dbraw/zinc/27/97/79/683279779.db2.gz	MDKDMAYCHWOKLO-INIZCTEOSA-N	1	1	362.499	2.415	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc2)CC1	ZINC000928807748	683506673	/nfs/dbraw/zinc/50/66/73/683506673.db2.gz	ATNKKNYYUDYKAN-HNNXBMFYSA-N	1	1	354.376	2.008	20	30		FEEDMO
C=CCCS(=O)(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1	ZINC000921631357	683526274	/nfs/dbraw/zinc/52/62/74/683526274.db2.gz	KFLMIGKOEOTXJC-UHFFFAOYSA-N	1	1	352.500	2.163	20	30		FEEDMO
N#Cc1ccc(Br)c(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1	ZINC000921691514	683544378	/nfs/dbraw/zinc/54/43/78/683544378.db2.gz	YWVMXUJXSZRPKP-CABCVRRESA-N	1	1	350.260	2.274	20	30		FEEDMO
N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12	ZINC000930385493	683723178	/nfs/dbraw/zinc/72/31/78/683723178.db2.gz	CJKGSTMNKGUIPI-ZFWWWQNUSA-N	1	1	364.446	2.429	20	30		FEEDMO
N#Cc1ccc(OC2CC[NH+](C[C@@H]3CCCS3(=O)=O)CC2)c(F)c1	ZINC000930464096	683738516	/nfs/dbraw/zinc/73/85/16/683738516.db2.gz	HXOHJSOQDZENKE-HNNXBMFYSA-N	1	1	352.431	2.118	20	30		FEEDMO
CC#CC[N@@H+](C)C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000930588646	683756226	/nfs/dbraw/zinc/75/62/26/683756226.db2.gz	IHXOATWTJWYAMT-MRXNPFEDSA-N	1	1	354.372	2.122	20	30		FEEDMO
CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CC#N)C2)[C@@H]1C(C)C	ZINC000922838371	683790803	/nfs/dbraw/zinc/79/08/03/683790803.db2.gz	XYJPGZITCJUQSN-JEWRLFTDSA-N	1	1	350.507	2.095	20	30		FEEDMO
CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CC#N)C2)[C@@H]1C(C)C	ZINC000922838373	683790946	/nfs/dbraw/zinc/79/09/46/683790946.db2.gz	XYJPGZITCJUQSN-OAFZBRQQSA-N	1	1	350.507	2.095	20	30		FEEDMO
C#CC1(O)CC[NH+](Cc2nnc(-c3ccccc3Br)o2)CC1	ZINC000931142208	683840699	/nfs/dbraw/zinc/84/06/99/683840699.db2.gz	JQTNWTDPJUSYDD-UHFFFAOYSA-N	1	1	362.227	2.459	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[N@H+](C)C1	ZINC000865608563	684004635	/nfs/dbraw/zinc/00/46/35/684004635.db2.gz	KXMICNAUXVQVTH-ZIAGYGMSSA-N	1	1	359.898	2.480	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cc(Br)cc(OC)c2)CC1	ZINC000931344235	684265240	/nfs/dbraw/zinc/26/52/40/684265240.db2.gz	GAHMCTMOYBCKNG-UHFFFAOYSA-N	1	1	351.244	2.239	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[NH+]2CCN(Cc3cncs3)CC2)c1	ZINC000931362105	684268551	/nfs/dbraw/zinc/26/85/51/684268551.db2.gz	BOHXQVOWWWWIFT-UHFFFAOYSA-N	1	1	355.467	2.161	20	30		FEEDMO
COC1(OC)CCOC[C@H]1[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000931672429	684326570	/nfs/dbraw/zinc/32/65/70/684326570.db2.gz	ALVQTYBVPKGQFD-OAHLLOKOSA-N	1	1	359.344	2.304	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1nc(Br)sc1Cl	ZINC000868581523	684513805	/nfs/dbraw/zinc/51/38/05/684513805.db2.gz	IKFXMDJKVKCFFT-UHFFFAOYSA-N	1	1	350.669	2.244	20	30		FEEDMO
N#Cc1cccc(C2(NC(=O)N[C@H]3CCC[N@H+]4CCSC[C@@H]34)CC2)c1	ZINC000925165854	684533613	/nfs/dbraw/zinc/53/36/13/684533613.db2.gz	LHJPYGDLSDZYPY-IRXDYDNUSA-N	1	1	356.495	2.426	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)[C@@H](N)c2cccc(Br)c2)CC1	ZINC000870883064	684766162	/nfs/dbraw/zinc/76/61/62/684766162.db2.gz	LFGOSXVTTQTVSC-HNNXBMFYSA-N	1	1	352.276	2.216	20	30		FEEDMO
C=C(Cl)C[C@H](N)c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1	ZINC000872178280	684924829	/nfs/dbraw/zinc/92/48/29/684924829.db2.gz	UIACEPHLFBXTJH-AWEZNQCLSA-N	1	1	362.865	2.416	20	30		FEEDMO
COc1cc(C=NNCCC[NH+]2CCOCC2)c(F)cc1Br	ZINC000872371998	684941671	/nfs/dbraw/zinc/94/16/71/684941671.db2.gz	VYBJLCAAJKPAGF-UHFFFAOYSA-N	1	1	374.254	2.243	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1	ZINC000876711089	686249867	/nfs/dbraw/zinc/24/98/67/686249867.db2.gz	TUMIEXHTUPZCMD-IRXDYDNUSA-N	1	1	351.878	2.418	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1	ZINC000876782416	686268016	/nfs/dbraw/zinc/26/80/16/686268016.db2.gz	QEBXQPPGYVCBSV-CJNGLKHVSA-N	1	1	368.884	2.225	20	30		FEEDMO
C=CC[C@H](C(=O)OC)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000878174255	686535585	/nfs/dbraw/zinc/53/55/85/686535585.db2.gz	MSCVIINHOSFNMV-LJQANCHMSA-N	1	1	351.535	2.232	20	30		FEEDMO
COC(=O)C[C@@H]1CSCC[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1	ZINC000878194511	686538988	/nfs/dbraw/zinc/53/89/88/686538988.db2.gz	XTKMPDOCFFWFKS-IEBWSBKVSA-N	1	1	360.479	2.408	20	30		FEEDMO
COC(=O)C[C@@H]1CSCC[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1	ZINC000878194511	686538993	/nfs/dbraw/zinc/53/89/93/686538993.db2.gz	XTKMPDOCFFWFKS-IEBWSBKVSA-N	1	1	360.479	2.408	20	30		FEEDMO
C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@H+](CC(=O)NCCC#N)[C@H]1C	ZINC000878880713	686682314	/nfs/dbraw/zinc/68/23/14/686682314.db2.gz	KHMXBIWKZSBUKL-QLFBSQMISA-N	1	1	352.479	2.030	20	30		FEEDMO
C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@@H+](CC(=O)NCCC#N)[C@H]1C	ZINC000878880713	686682315	/nfs/dbraw/zinc/68/23/15/686682315.db2.gz	KHMXBIWKZSBUKL-QLFBSQMISA-N	1	1	352.479	2.030	20	30		FEEDMO
COC[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1cccc(Br)c1	ZINC000879663470	686883225	/nfs/dbraw/zinc/88/32/25/686883225.db2.gz	IFPQIGBZCONXIC-CQSZACIVSA-N	1	1	366.259	2.289	20	30		FEEDMO
C#CCC1(O)CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1	ZINC000880478016	687052387	/nfs/dbraw/zinc/05/23/87/687052387.db2.gz	QMPYQYHHXPJXKD-UHFFFAOYSA-N	1	1	359.857	2.437	20	30		FEEDMO
C#CCC1(O)CC[NH+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1	ZINC000880480779	687052759	/nfs/dbraw/zinc/05/27/59/687052759.db2.gz	GHIDZZQZRYFFRQ-INIZCTEOSA-N	1	1	350.821	2.435	20	30		FEEDMO
COCC[N@H+]1[C@H](C)CN(C(=O)Nc2cc(C#N)c(F)cc2F)C[C@@H]1C	ZINC000880710123	687077282	/nfs/dbraw/zinc/07/72/82/687077282.db2.gz	IPQZXZMUTIYSFD-TXEJJXNPSA-N	1	1	352.385	2.409	20	30		FEEDMO
COCC[N@@H+]1[C@H](C)CN(C(=O)Nc2cc(C#N)c(F)cc2F)C[C@@H]1C	ZINC000880710123	687077284	/nfs/dbraw/zinc/07/72/84/687077284.db2.gz	IPQZXZMUTIYSFD-TXEJJXNPSA-N	1	1	352.385	2.409	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccccc1N1CCC[C@H](c2[nH+]ccn2C)C1	ZINC000882271325	687339575	/nfs/dbraw/zinc/33/95/75/687339575.db2.gz	SUYAUHLEIXSPPJ-HNNXBMFYSA-N	1	1	360.483	2.268	20	30		FEEDMO
C#CCC1(O)CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1	ZINC000882523747	687385281	/nfs/dbraw/zinc/38/52/81/687385281.db2.gz	RFOOSNQUURAOKX-GOSISDBHSA-N	1	1	358.507	2.153	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)C1	ZINC000884256220	687830686	/nfs/dbraw/zinc/83/06/86/687830686.db2.gz	WFHBGENCBQHGOE-PBHICJAKSA-N	1	1	351.397	2.049	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](COC)c2ccc(F)c(F)c2)C1	ZINC000884256220	687830692	/nfs/dbraw/zinc/83/06/92/687830692.db2.gz	WFHBGENCBQHGOE-PBHICJAKSA-N	1	1	351.397	2.049	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2nc(Cl)c(C#N)s2)C1	ZINC000888406679	688605650	/nfs/dbraw/zinc/60/56/50/688605650.db2.gz	FGQCKNPWPAZTLJ-SNVBAGLBSA-N	1	1	357.867	2.146	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1csc(=NC(=O)OC(C)(C)C)[nH]1	ZINC000890386185	688914317	/nfs/dbraw/zinc/91/43/17/688914317.db2.gz	PVBVWAFPBOZGNH-ZDUSSCGKSA-N	1	1	364.471	2.204	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1csc(=NC(=O)OC(C)(C)C)[nH]1	ZINC000890386185	688914320	/nfs/dbraw/zinc/91/43/20/688914320.db2.gz	PVBVWAFPBOZGNH-ZDUSSCGKSA-N	1	1	364.471	2.204	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)NCc2nc(C#N)cs2)C[N@H+]1Cc1ccccc1	ZINC000893621236	689376569	/nfs/dbraw/zinc/37/65/69/689376569.db2.gz	LCGRGXJYQIRYCM-HIFRSBDPSA-N	1	1	355.467	2.477	20	30		FEEDMO
C[C@H]1[C@@H](NC(=O)NCc2nc(C#N)cs2)CC[N@H+]1Cc1ccccc1	ZINC000894884958	689613904	/nfs/dbraw/zinc/61/39/04/689613904.db2.gz	MSMNOAVGUAZKAU-BBRMVZONSA-N	1	1	355.467	2.477	20	30		FEEDMO
C#CC[N@@H+](C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C(C)C	ZINC000897171151	689984626	/nfs/dbraw/zinc/98/46/26/689984626.db2.gz	RNIDWVQUYSEVGD-MRXNPFEDSA-N	1	1	351.491	2.093	20	30		FEEDMO
C#CCN(C(=O)C[N@H+](C)CCC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000899270399	690328266	/nfs/dbraw/zinc/32/82/66/690328266.db2.gz	CKEFDNZAOOGJSM-UHFFFAOYSA-N	1	1	351.491	2.190	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2nc(C(F)(F)F)n3ccccc23)CC1	ZINC000900608663	690538329	/nfs/dbraw/zinc/53/83/29/690538329.db2.gz	OGKGJMFPYYGBIA-UHFFFAOYSA-N	1	1	351.332	2.071	20	30		FEEDMO
CNc1nc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cs1	ZINC000901349247	690638606	/nfs/dbraw/zinc/63/86/06/690638606.db2.gz	HTZXABVJLRVZLH-UHFFFAOYSA-N	1	1	355.467	2.473	20	30		FEEDMO
C#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1	ZINC000906851824	691328193	/nfs/dbraw/zinc/32/81/93/691328193.db2.gz	OISCBQRHCOMDTB-UHFFFAOYSA-N	1	1	355.463	2.006	20	30		FEEDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(Cl)ncc1C#N)CC2	ZINC001164648182	719308958	/nfs/dbraw/zinc/30/89/58/719308958.db2.gz	QGPDIXOOOUSICZ-UHFFFAOYSA-N	1	1	359.865	2.403	20	30		FEEDMO
Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C#N)n1	ZINC001164844183	720588272	/nfs/dbraw/zinc/58/82/72/720588272.db2.gz	ZQEDSWZJZUFGBN-ZIFCJYIRSA-N	1	1	365.485	2.231	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5ccc(C#N)cc54)C[C@@H]3C2)cn1	ZINC001164761045	721091496	/nfs/dbraw/zinc/09/14/96/721091496.db2.gz	ALNHMURJKAABKW-MSOLQXFVSA-N	1	1	373.464	2.193	20	30		FEEDMO
N#Cc1ncc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164900335	721520997	/nfs/dbraw/zinc/52/09/97/721520997.db2.gz	QJJZKDHZJBRTCD-UKRRQHHQSA-N	1	1	373.819	2.483	20	30		FEEDMO
C=CC[NH+]1CCN(c2ncnc3c2ccn3COC(=O)C(C)(C)C)CC1	ZINC001165031531	721867321	/nfs/dbraw/zinc/86/73/21/721867321.db2.gz	NDEKNFCYLITZHY-UHFFFAOYSA-N	1	1	357.458	2.286	20	30		FEEDMO
C=CC[NH+]1CCN(c2ncnc3cc(C(=O)NCC(C)C)ccc32)CC1	ZINC001165032432	721869059	/nfs/dbraw/zinc/86/90/59/721869059.db2.gz	SAVCRICJUJZDIG-UHFFFAOYSA-N	1	1	353.470	2.324	20	30		FEEDMO
C=CC[NH+]1CCN(c2ccc(N3CCN(c4ccccc4)CC3)nn2)CC1	ZINC001165032076	721870758	/nfs/dbraw/zinc/87/07/58/721870758.db2.gz	GHONPUUQHPHQJO-UHFFFAOYSA-N	1	1	364.497	2.111	20	30		FEEDMO
N#CCCN1CCN(c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1	ZINC001165055782	722023607	/nfs/dbraw/zinc/02/36/07/722023607.db2.gz	UTHBBSSGVOHUOJ-UHFFFAOYSA-N	1	1	362.481	2.071	20	30		FEEDMO
N#CCCN1CCN(c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1	ZINC001165055782	722023609	/nfs/dbraw/zinc/02/36/09/722023609.db2.gz	UTHBBSSGVOHUOJ-UHFFFAOYSA-N	1	1	362.481	2.071	20	30		FEEDMO
N#CCc1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1	ZINC001164978003	722131200	/nfs/dbraw/zinc/13/12/00/722131200.db2.gz	JDCCMRNTNVGVQO-PMACEKPBSA-N	1	1	363.465	2.270	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1	ZINC000549247592	674028343	/nfs/dbraw/zinc/02/83/43/674028343.db2.gz	VOPBLQDYRMGHJS-HNNXBMFYSA-N	1	1	364.858	2.188	20	30		FEEDMO
COc1ccccc1[C@@H](CNC(=O)COc1ccc(C#N)cc1)[NH+](C)C	ZINC000008088724	539476447	/nfs/dbraw/zinc/47/64/47/539476447.db2.gz	WYZKSXRPKPRUBT-GOSISDBHSA-N	1	1	353.422	2.365	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)Cc1cccc(C#N)c1	ZINC000026328115	539784139	/nfs/dbraw/zinc/78/41/39/539784139.db2.gz	UDURQCHYBIMBJZ-OAHLLOKOSA-N	1	1	350.422	2.405	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000026328115	539784143	/nfs/dbraw/zinc/78/41/43/539784143.db2.gz	UDURQCHYBIMBJZ-OAHLLOKOSA-N	1	1	350.422	2.405	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(C(N)=O)c3)CC2)cc1	ZINC000030572962	539886548	/nfs/dbraw/zinc/88/65/48/539886548.db2.gz	OVJZPYHMRREADW-UHFFFAOYSA-N	1	1	362.433	2.005	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(C(N)=O)c3)CC2)cc1	ZINC000030572962	539886552	/nfs/dbraw/zinc/88/65/52/539886552.db2.gz	OVJZPYHMRREADW-UHFFFAOYSA-N	1	1	362.433	2.005	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](C)C1	ZINC000041653149	540029642	/nfs/dbraw/zinc/02/96/42/540029642.db2.gz	OCMWGFHIVTVYNC-STQMWFEESA-N	1	1	362.861	2.387	20	30		FEEDMO
Cc1[nH+]c2cc3c(cc2n1C[C@@H](O)COc1ccc(C#N)cc1)OCCO3	ZINC000042755512	540077494	/nfs/dbraw/zinc/07/74/94/540077494.db2.gz	BDGGFYBUWJSVCE-OAHLLOKOSA-N	1	1	365.389	2.428	20	30		FEEDMO
Cc1cccn2c(=O)cc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)nc12	ZINC000045343444	540210194	/nfs/dbraw/zinc/21/01/94/540210194.db2.gz	YXBMTEKVMYJASA-UHFFFAOYSA-N	1	1	373.460	2.192	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000045771422	540226484	/nfs/dbraw/zinc/22/64/84/540226484.db2.gz	RJTIOFIOPNCJPJ-FQEVSTJZSA-N	1	1	356.470	2.065	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000045771422	540226485	/nfs/dbraw/zinc/22/64/85/540226485.db2.gz	RJTIOFIOPNCJPJ-FQEVSTJZSA-N	1	1	356.470	2.065	20	30		FEEDMO
CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1	ZINC000046529658	540261300	/nfs/dbraw/zinc/26/13/00/540261300.db2.gz	ODIKNLQEDJEPTF-CQSZACIVSA-N	1	1	350.422	2.377	20	30		FEEDMO
CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1	ZINC000046529658	540261302	/nfs/dbraw/zinc/26/13/02/540261302.db2.gz	ODIKNLQEDJEPTF-CQSZACIVSA-N	1	1	350.422	2.377	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1	ZINC000048046405	540341532	/nfs/dbraw/zinc/34/15/32/540341532.db2.gz	GKAGAMBLMYPUCM-OXQOHEQNSA-N	1	1	362.518	2.011	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccco1	ZINC000048732966	540371854	/nfs/dbraw/zinc/37/18/54/540371854.db2.gz	QKTXUQDYNOBYJT-AWEZNQCLSA-N	1	1	360.801	2.162	20	30		FEEDMO
CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000051056715	540421323	/nfs/dbraw/zinc/42/13/23/540421323.db2.gz	INLXUMQGJDUEEJ-SJORKVTESA-N	1	1	362.518	2.346	20	30		FEEDMO
CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000051056715	540421327	/nfs/dbraw/zinc/42/13/27/540421327.db2.gz	INLXUMQGJDUEEJ-SJORKVTESA-N	1	1	362.518	2.346	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)c2ccc(OC)cc2)CC1	ZINC000052433856	540466258	/nfs/dbraw/zinc/46/62/58/540466258.db2.gz	BVBBDJXWAZEZNI-UHFFFAOYSA-N	1	1	357.454	2.352	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1	ZINC000052315129	540462343	/nfs/dbraw/zinc/46/23/43/540462343.db2.gz	CCARABVSCGMMRN-IRXDYDNUSA-N	1	1	356.470	2.345	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(CC(N)=O)CC2)c1C	ZINC000051918207	540447813	/nfs/dbraw/zinc/44/78/13/540447813.db2.gz	RLLBZHYXAXXJRX-UHFFFAOYSA-N	1	1	356.470	2.138	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000052930231	540500241	/nfs/dbraw/zinc/50/02/41/540500241.db2.gz	LGANZAVPGGQOKC-HNNXBMFYSA-N	1	1	360.483	2.187	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1	ZINC000054203967	540574609	/nfs/dbraw/zinc/57/46/09/540574609.db2.gz	RXOPKRRWNCYOCH-QGZVFWFLSA-N	1	1	356.470	2.241	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)N3CCCCCC3)CC2)cc1	ZINC000054642640	540599870	/nfs/dbraw/zinc/59/98/70/540599870.db2.gz	LXUOWNBJSWQIFG-UHFFFAOYSA-N	1	1	354.498	2.469	20	30		FEEDMO
N#Cc1ccc(CN2CCC[N@@H+](CC(=O)N3CCCCCC3)CC2)cc1	ZINC000054642640	540599875	/nfs/dbraw/zinc/59/98/75/540599875.db2.gz	LXUOWNBJSWQIFG-UHFFFAOYSA-N	1	1	354.498	2.469	20	30		FEEDMO
N#Cc1ccc(CN2CCC[N@H+](CC(=O)N3CCCCCC3)CC2)cc1	ZINC000054642640	540599878	/nfs/dbraw/zinc/59/98/78/540599878.db2.gz	LXUOWNBJSWQIFG-UHFFFAOYSA-N	1	1	354.498	2.469	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000056014166	540694178	/nfs/dbraw/zinc/69/41/78/540694178.db2.gz	LHLUGRSQTBSRIL-AYHJJNSGSA-N	1	1	357.502	2.335	20	30		FEEDMO
N#CC1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1	ZINC000057907416	540823493	/nfs/dbraw/zinc/82/34/93/540823493.db2.gz	DQRQIJWIHDNMCC-KRWDZBQOSA-N	1	1	355.438	2.357	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(CC(F)F)CC2)cc1Cl	ZINC000057914175	540824097	/nfs/dbraw/zinc/82/40/97/540824097.db2.gz	ODAPBTFZIKXCFQ-UHFFFAOYSA-N	1	1	356.804	2.423	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3CCC(C#N)CC3)c2)CCO1	ZINC000057995553	540826468	/nfs/dbraw/zinc/82/64/68/540826468.db2.gz	NYAPCAYHLWLGBO-INIZCTEOSA-N	1	1	356.470	2.352	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3CCC(C#N)CC3)c2)CCO1	ZINC000057995553	540826471	/nfs/dbraw/zinc/82/64/71/540826471.db2.gz	NYAPCAYHLWLGBO-INIZCTEOSA-N	1	1	356.470	2.352	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)CN2CCC[N@H+](C3CC3)CC2)c(OC)c1	ZINC000061041170	541125923	/nfs/dbraw/zinc/12/59/23/541125923.db2.gz	WCASJVXSFCOPMB-IBGZPJMESA-N	1	1	360.498	2.334	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCN(C3CC3)CC2)c(OC)c1	ZINC000061041170	541125926	/nfs/dbraw/zinc/12/59/26/541125926.db2.gz	WCASJVXSFCOPMB-IBGZPJMESA-N	1	1	360.498	2.334	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCN(C3CC3)CC2)c(OC)c1	ZINC000061041170	541125929	/nfs/dbraw/zinc/12/59/29/541125929.db2.gz	WCASJVXSFCOPMB-IBGZPJMESA-N	1	1	360.498	2.334	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000066196011	541289191	/nfs/dbraw/zinc/28/91/91/541289191.db2.gz	AMTAQNYREKBWPO-OAHLLOKOSA-N	1	1	361.465	2.259	20	30		FEEDMO
C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(F)c(C#N)c2)C1	ZINC000067244585	541435650	/nfs/dbraw/zinc/43/56/50/541435650.db2.gz	XHBKYRXUYIZAJQ-HNNXBMFYSA-N	1	1	359.426	2.379	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@@H](O)COCc2ccccc2)CC1	ZINC000067460051	541467229	/nfs/dbraw/zinc/46/72/29/541467229.db2.gz	YIJKMRVPXMFOPH-HXUWFJFHSA-N	1	1	366.465	2.043	20	30		FEEDMO
C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[N@@H+](C)C1CC1	ZINC000069440497	541687023	/nfs/dbraw/zinc/68/70/23/541687023.db2.gz	RCKACKRYFWHKCI-HOCLYGCPSA-N	1	1	373.476	2.448	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)CN1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000072553953	541830862	/nfs/dbraw/zinc/83/08/62/541830862.db2.gz	JXCOJODSKJSBLQ-INIZCTEOSA-N	1	1	374.510	2.037	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3[C@H](C)C[C@H]4CCCC[C@@H]43)CC2)o1	ZINC000072663603	541847758	/nfs/dbraw/zinc/84/77/58/541847758.db2.gz	VBVDCJIQJQCZRC-KYJSFNMBSA-N	1	1	371.485	2.156	20	30		FEEDMO
CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000072776502	541863854	/nfs/dbraw/zinc/86/38/54/541863854.db2.gz	AUBNHCIYIRECTM-MAUKXSAKSA-N	1	1	373.501	2.404	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)N1CC[NH+](C)CC1	ZINC000073595961	541970795	/nfs/dbraw/zinc/97/07/95/541970795.db2.gz	SGQRUFKHMFJIBX-QFBILLFUSA-N	1	1	357.502	2.190	20	30		FEEDMO
COC(=O)CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1CCCO1	ZINC000075744999	542201763	/nfs/dbraw/zinc/20/17/63/542201763.db2.gz	WAAPTTSPCHWQHU-MRXNPFEDSA-N	1	1	370.409	2.152	20	30		FEEDMO
COC(=O)CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1CCCO1	ZINC000075744999	542201768	/nfs/dbraw/zinc/20/17/68/542201768.db2.gz	WAAPTTSPCHWQHU-MRXNPFEDSA-N	1	1	370.409	2.152	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1	ZINC000075935696	542216911	/nfs/dbraw/zinc/21/69/11/542216911.db2.gz	UIEFWBJIOOYDAX-UHFFFAOYSA-N	1	1	368.441	2.073	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccc1F	ZINC000076639446	542303103	/nfs/dbraw/zinc/30/31/03/542303103.db2.gz	SJDILEJNCAKXFP-MRXNPFEDSA-N	1	1	358.417	2.017	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCSc2ccc(OC)c(OC)c2)CC1	ZINC000076985488	542338743	/nfs/dbraw/zinc/33/87/43/542338743.db2.gz	NNZFJIZDIHLIDV-UHFFFAOYSA-N	1	1	362.495	2.354	20	30		FEEDMO
N#Cc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)nc2ccc([N+](=O)[O-])cc12	ZINC000078404268	542460444	/nfs/dbraw/zinc/46/04/44/542460444.db2.gz	NFVREYPIOORWFX-CQSZACIVSA-N	1	1	367.409	2.173	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CC(=O)N2CCCC2)CC1	ZINC000078484446	542463861	/nfs/dbraw/zinc/46/38/61/542463861.db2.gz	WCMQMJVGFGTMDP-OXQOHEQNSA-N	1	1	362.518	2.154	20	30		FEEDMO
Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1	ZINC000078507540	542464833	/nfs/dbraw/zinc/46/48/33/542464833.db2.gz	SZQPQVWZTVHHKU-LJQANCHMSA-N	1	1	366.465	2.132	20	30		FEEDMO
C[C@@](C#N)(NC(=O)CN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1	ZINC000078516969	542465284	/nfs/dbraw/zinc/46/52/84/542465284.db2.gz	QHHZAYUWYVGKPN-NRFANRHFSA-N	1	1	354.498	2.391	20	30		FEEDMO
C[C@@H](C#N)OCC[N@@H+](C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1	ZINC000801946948	674156499	/nfs/dbraw/zinc/15/64/99/674156499.db2.gz	QTECGYNMMVRKIY-GJZGRUSLSA-N	1	1	351.472	2.148	20	30		FEEDMO
CC(=O)NCC[N@@H+](CCO[C@@H](C)C#N)Cc1ccc(Br)s1	ZINC000801954294	674156896	/nfs/dbraw/zinc/15/68/96/674156896.db2.gz	DVILFTWNEZURSQ-NSHDSACASA-N	1	1	374.304	2.377	20	30		FEEDMO
CC(=O)NCC[N@H+](CCO[C@@H](C)C#N)Cc1ccc(Br)s1	ZINC000801954294	674156900	/nfs/dbraw/zinc/15/69/00/674156900.db2.gz	DVILFTWNEZURSQ-NSHDSACASA-N	1	1	374.304	2.377	20	30		FEEDMO
C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2cc(C#N)nc3ccccc32)CC1	ZINC000088758015	542756498	/nfs/dbraw/zinc/75/64/98/542756498.db2.gz	TUBALYKMISZHET-INIZCTEOSA-N	1	1	363.465	2.239	20	30		FEEDMO
C=CCN(Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cccc(C#N)c1	ZINC000092504445	542867313	/nfs/dbraw/zinc/86/73/13/542867313.db2.gz	DTHMCWPKVNFCFD-UHFFFAOYSA-N	1	1	362.481	2.288	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)CC1	ZINC000092617610	542875424	/nfs/dbraw/zinc/87/54/24/542875424.db2.gz	XRVUPABPNVYGIH-HXUWFJFHSA-N	1	1	372.488	2.482	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)CC1	ZINC000092617610	542875429	/nfs/dbraw/zinc/87/54/29/542875429.db2.gz	XRVUPABPNVYGIH-HXUWFJFHSA-N	1	1	372.488	2.482	20	30		FEEDMO
CCOC(=O)C1(C)CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000092824150	542888759	/nfs/dbraw/zinc/88/87/59/542888759.db2.gz	WNXFJTBJGKTKMN-QGZVFWFLSA-N	1	1	355.438	2.329	20	30		FEEDMO
N#Cc1ccc(F)c(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1	ZINC000093260536	542922111	/nfs/dbraw/zinc/92/21/11/542922111.db2.gz	DBZNYUMAGOQSGQ-UHFFFAOYSA-N	1	1	354.385	2.235	20	30		FEEDMO
COc1cncc(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)n1	ZINC000093477380	542932610	/nfs/dbraw/zinc/93/26/10/542932610.db2.gz	CBIAWKBBKWOIGB-UHFFFAOYSA-N	1	1	367.453	2.490	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000103466783	543108987	/nfs/dbraw/zinc/10/89/87/543108987.db2.gz	WOXGPSSQHKZQNK-MRXNPFEDSA-N	1	1	364.453	2.304	20	30		FEEDMO
C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104963566	543152868	/nfs/dbraw/zinc/15/28/68/543152868.db2.gz	QKCAKAOPGKTFHT-BEFAXECRSA-N	1	1	357.454	2.085	20	30		FEEDMO
COc1ccc(C[NH2+]C[C@H](C)N2CCN(C)CC2)cc1OCCCC#N	ZINC000105465670	543174272	/nfs/dbraw/zinc/17/42/72/543174272.db2.gz	OTUVXVRETFWXQD-KRWDZBQOSA-N	1	1	360.502	2.103	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CCO1	ZINC000106046125	543187057	/nfs/dbraw/zinc/18/70/57/543187057.db2.gz	ZROTUOPRJMTAOB-WBVHZDCISA-N	1	1	367.371	2.192	20	30		FEEDMO
CCOCC[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1	ZINC000106105416	543198251	/nfs/dbraw/zinc/19/82/51/543198251.db2.gz	FTOCERDSLDIFPS-IBGZPJMESA-N	1	1	372.513	2.284	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000106150528	543208798	/nfs/dbraw/zinc/20/87/98/543208798.db2.gz	MCTORMFWOPNLQP-INIZCTEOSA-N	1	1	373.501	2.044	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000106150528	543208801	/nfs/dbraw/zinc/20/88/01/543208801.db2.gz	MCTORMFWOPNLQP-INIZCTEOSA-N	1	1	373.501	2.044	20	30		FEEDMO
C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCO[C@H](C#N)C3)cc2)C1	ZINC000106330808	543223723	/nfs/dbraw/zinc/22/37/23/543223723.db2.gz	AISIVCAVYGYQDO-QFBILLFUSA-N	1	1	356.470	2.352	20	30		FEEDMO
N#Cc1c(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)cn2ccccc12	ZINC000107684488	543275413	/nfs/dbraw/zinc/27/54/13/543275413.db2.gz	MIFFANBTPNGNSM-UHFFFAOYSA-N	1	1	366.465	2.318	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)C1CC1	ZINC000108387746	543288502	/nfs/dbraw/zinc/28/85/02/543288502.db2.gz	ZRXNALBULRAQDP-WOJBJXKFSA-N	1	1	359.445	2.380	20	30		FEEDMO
CC[NH+]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000109404111	543324233	/nfs/dbraw/zinc/32/42/33/543324233.db2.gz	MMOPEWVRPLSJHJ-INIZCTEOSA-N	1	1	359.449	2.013	20	30		FEEDMO
C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000109815613	543340423	/nfs/dbraw/zinc/34/04/23/543340423.db2.gz	HIRBGAJLKXQZPK-UYAOXDASSA-N	1	1	365.433	2.035	20	30		FEEDMO
C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000109815613	543340424	/nfs/dbraw/zinc/34/04/24/543340424.db2.gz	HIRBGAJLKXQZPK-UYAOXDASSA-N	1	1	365.433	2.035	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC([C@@H](C)O)CC1	ZINC000111288370	543393085	/nfs/dbraw/zinc/39/30/85/543393085.db2.gz	AZPNYIQAWHUYFV-JKSUJKDBSA-N	1	1	359.470	2.423	20	30		FEEDMO
COc1ccc(C[N@@H+](CCO)CCOc2ccc(C#N)cc2)c(OC)c1	ZINC000111322491	543396401	/nfs/dbraw/zinc/39/64/01/543396401.db2.gz	MDRLXSMWABJRNI-UHFFFAOYSA-N	1	1	356.422	2.449	20	30		FEEDMO
C[N@H+](CCOc1ccc(OCc2ccccc2)cc1)CC(=O)NCC#N	ZINC000114490381	543520505	/nfs/dbraw/zinc/52/05/05/543520505.db2.gz	VRPDCICHSFUYEB-UHFFFAOYSA-N	1	1	353.422	2.216	20	30		FEEDMO
C[N@@H+](CCOc1ccc(OCc2ccccc2)cc1)CC(=O)NCC#N	ZINC000114490381	543520509	/nfs/dbraw/zinc/52/05/09/543520509.db2.gz	VRPDCICHSFUYEB-UHFFFAOYSA-N	1	1	353.422	2.216	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1	ZINC000118129302	543647580	/nfs/dbraw/zinc/64/75/80/543647580.db2.gz	XIRXIBXUNCESFJ-KBPBESRZSA-N	1	1	374.510	2.476	20	30		FEEDMO
COC(=O)[C@H](C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1	ZINC000121090741	543689577	/nfs/dbraw/zinc/68/95/77/543689577.db2.gz	MGJAZJHAHMEHFL-UZLBHIALSA-N	1	1	359.470	2.352	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21	ZINC000119433059	543667575	/nfs/dbraw/zinc/66/75/75/543667575.db2.gz	KYPQRDFKBOSHFW-MJGOQNOKSA-N	1	1	357.502	2.289	20	30		FEEDMO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000123288521	543752610	/nfs/dbraw/zinc/75/26/10/543752610.db2.gz	QGTFLOYDWFXLTF-CXAGYDPISA-N	1	1	368.485	2.092	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000125769282	543900765	/nfs/dbraw/zinc/90/07/65/543900765.db2.gz	LNTJUKBRRVGZKR-GFCCVEGCSA-N	1	1	357.426	2.189	20	30		FEEDMO
Cc1cccc(S(=O)(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N	ZINC000126509017	543940545	/nfs/dbraw/zinc/94/05/45/543940545.db2.gz	LZMLXWOEFIEMQD-IYBDPMFKSA-N	1	1	365.499	2.034	20	30		FEEDMO
Cc1cccc(S(=O)(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N	ZINC000126509017	543940549	/nfs/dbraw/zinc/94/05/49/543940549.db2.gz	LZMLXWOEFIEMQD-IYBDPMFKSA-N	1	1	365.499	2.034	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[N@H+]1C1CC1	ZINC000127833990	544016410	/nfs/dbraw/zinc/01/64/10/544016410.db2.gz	AZBPLNZRKPIONS-ZBFHGGJFSA-N	1	1	371.460	2.154	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1	ZINC000127882339	544019264	/nfs/dbraw/zinc/01/92/64/544019264.db2.gz	UKILKKCTNPKDTN-SJLPKXTDSA-N	1	1	357.454	2.085	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1	ZINC000127882339	544019268	/nfs/dbraw/zinc/01/92/68/544019268.db2.gz	UKILKKCTNPKDTN-SJLPKXTDSA-N	1	1	357.454	2.085	20	30		FEEDMO
Cc1ccc(-n2nc(CCCNC(=O)C[N@H+](C)C(C)C)c(C#N)c2N)cc1	ZINC000127516842	543997331	/nfs/dbraw/zinc/99/73/31/543997331.db2.gz	SQQRDOCKJPRSNQ-UHFFFAOYSA-N	1	1	368.485	2.024	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1	ZINC000128216796	544039573	/nfs/dbraw/zinc/03/95/73/544039573.db2.gz	LVWKSQNSOSAIKD-CRAIPNDOSA-N	1	1	355.463	2.500	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1	ZINC000128217031	544039589	/nfs/dbraw/zinc/03/95/89/544039589.db2.gz	LVWKSQNSOSAIKD-MAUKXSAKSA-N	1	1	355.463	2.500	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC4(C3)CCCCC4)CC2)o1	ZINC000130027233	544136166	/nfs/dbraw/zinc/13/61/66/544136166.db2.gz	GCNLRJIUGNDYFC-UHFFFAOYSA-N	1	1	371.485	2.160	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3CC(C)C)CC2)o1	ZINC000130245827	544144430	/nfs/dbraw/zinc/14/44/30/544144430.db2.gz	WIPPPGQZGRWGML-MRXNPFEDSA-N	1	1	359.474	2.014	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1	ZINC000131821448	544208185	/nfs/dbraw/zinc/20/81/85/544208185.db2.gz	HDNNGMVYVCBUIF-GOSISDBHSA-N	1	1	371.485	2.425	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1ccco1	ZINC000133189889	544259487	/nfs/dbraw/zinc/25/94/87/544259487.db2.gz	HGDVMIGZVYMHHR-KRWDZBQOSA-N	1	1	354.410	2.227	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CO)cc1	ZINC000133002571	544252123	/nfs/dbraw/zinc/25/21/23/544252123.db2.gz	JGTPBAOEIUJNQG-LPHOPBHVSA-N	1	1	359.470	2.425	20	30		FEEDMO
C[C@H](C(=O)NC1CC1)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1	ZINC000135111787	544334737	/nfs/dbraw/zinc/33/47/37/544334737.db2.gz	OMNSVLZOVRAHOO-MRXNPFEDSA-N	1	1	354.498	2.272	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000135835133	544361808	/nfs/dbraw/zinc/36/18/08/544361808.db2.gz	USJPZILVXOSZRF-AWEZNQCLSA-N	1	1	360.433	2.407	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)[N@@H+](C)Cc1ccccc1	ZINC000136245186	544369757	/nfs/dbraw/zinc/36/97/57/544369757.db2.gz	MJZMDYXQTOQFRP-CQSZACIVSA-N	1	1	368.412	2.273	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000152506346	544663336	/nfs/dbraw/zinc/66/33/36/544663336.db2.gz	OWNLGYKEIXVUOH-WMLDXEAASA-N	1	1	362.430	2.012	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000152506346	544663338	/nfs/dbraw/zinc/66/33/38/544663338.db2.gz	OWNLGYKEIXVUOH-WMLDXEAASA-N	1	1	362.430	2.012	20	30		FEEDMO
CC[C@@H](NC(=O)c1cc(C#N)cn1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000152319394	544639046	/nfs/dbraw/zinc/63/90/46/544639046.db2.gz	CZCPBSIGQYEGGJ-QUCCMNQESA-N	1	1	366.465	2.306	20	30		FEEDMO
CC[C@@H](NC(=O)c1cc(C#N)cn1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000152319394	544639051	/nfs/dbraw/zinc/63/90/51/544639051.db2.gz	CZCPBSIGQYEGGJ-QUCCMNQESA-N	1	1	366.465	2.306	20	30		FEEDMO
CCO[C@H]1C[C@@H](O)C12CC[NH+](CC(=O)N(CCC#N)c1ccccc1)CC2	ZINC000152959774	544716056	/nfs/dbraw/zinc/71/60/56/544716056.db2.gz	ORBQCMOXZDFWCL-MOPGFXCFSA-N	1	1	371.481	2.185	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1	ZINC000153207259	544746766	/nfs/dbraw/zinc/74/67/66/544746766.db2.gz	BSNWTEHJYXOQGF-MRXNPFEDSA-N	1	1	353.378	2.264	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1	ZINC000153207259	544746771	/nfs/dbraw/zinc/74/67/71/544746771.db2.gz	BSNWTEHJYXOQGF-MRXNPFEDSA-N	1	1	353.378	2.264	20	30		FEEDMO
CCN(C(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000153275709	544755222	/nfs/dbraw/zinc/75/52/22/544755222.db2.gz	ITLWJSXVOOOIIV-AWEZNQCLSA-N	1	1	354.458	2.170	20	30		FEEDMO
CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153326901	544762721	/nfs/dbraw/zinc/76/27/21/544762721.db2.gz	IXJMLGXQTZQPRA-CYBMUJFWSA-N	1	1	370.457	2.154	20	30		FEEDMO
CC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1CC(F)F	ZINC000153385915	544769293	/nfs/dbraw/zinc/76/92/93/544769293.db2.gz	XWYIGJUBKVQDRD-SJORKVTESA-N	1	1	367.440	2.154	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCN1CC(F)F	ZINC000153385915	544769297	/nfs/dbraw/zinc/76/92/97/544769297.db2.gz	XWYIGJUBKVQDRD-SJORKVTESA-N	1	1	367.440	2.154	20	30		FEEDMO
CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000155139949	544994465	/nfs/dbraw/zinc/99/44/65/544994465.db2.gz	FTTYYTSJIAGBTL-CYBMUJFWSA-N	1	1	372.288	2.083	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000155139949	544994467	/nfs/dbraw/zinc/99/44/67/544994467.db2.gz	FTTYYTSJIAGBTL-CYBMUJFWSA-N	1	1	372.288	2.083	20	30		FEEDMO
CCC[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1	ZINC000155073346	544985701	/nfs/dbraw/zinc/98/57/01/544985701.db2.gz	MZFTXXCITSBYGB-UHFFFAOYSA-N	1	1	372.469	2.252	20	30		FEEDMO
C=CCSCCNC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1	ZINC000552503268	674212358	/nfs/dbraw/zinc/21/23/58/674212358.db2.gz	QTGNOMBUGWPCIT-IAGOWNOFSA-N	1	1	367.559	2.135	20	30		FEEDMO
C[C@@H]1CC[C@](CO)([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000188023071	328061067	/nfs/dbraw/zinc/06/10/67/328061067.db2.gz	NAHMAXNGTOYWPT-QRWLVFNGSA-N	1	1	367.453	2.165	20	30		FEEDMO
Cn1cc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)cc1C#N	ZINC000190741337	328229371	/nfs/dbraw/zinc/22/93/71/328229371.db2.gz	MWYLNTHJJOMVCA-UHFFFAOYSA-N	1	1	372.494	2.361	20	30		FEEDMO
CC(=O)N1CC[NH+](Cc2ccccc2NCc2cc(C#N)n(C)c2)CC1	ZINC000191619388	328274333	/nfs/dbraw/zinc/27/43/33/328274333.db2.gz	HWAPFLJNHUIDLH-UHFFFAOYSA-N	1	1	351.454	2.173	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCS[C@H]4COCC[C@@H]43)C2=O)cc1	ZINC000192626169	328329224	/nfs/dbraw/zinc/32/92/24/328329224.db2.gz	JUOLYFLFSUAARE-KSZLIROESA-N	1	1	357.479	2.260	20	30		FEEDMO
C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccnc(C#N)c2)C[C@H](C)O1	ZINC000192726183	328335762	/nfs/dbraw/zinc/33/57/62/328335762.db2.gz	JPSUEKHFIVAFJV-HOTGVXAUSA-N	1	1	364.449	2.492	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(O)cc3O)CC2)cc1	ZINC000192945273	328348437	/nfs/dbraw/zinc/34/84/37/328348437.db2.gz	BRMHOKLBYKXKAJ-UHFFFAOYSA-N	1	1	351.406	2.318	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(O)cc3O)CC2)cc1	ZINC000192945273	328348438	/nfs/dbraw/zinc/34/84/38/328348438.db2.gz	BRMHOKLBYKXKAJ-UHFFFAOYSA-N	1	1	351.406	2.318	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)CC[C@@H]3CCCC[N@H+]3C)CC2)o1	ZINC000193369439	328371062	/nfs/dbraw/zinc/37/10/62/328371062.db2.gz	NMZPODHWEBCTQJ-KRWDZBQOSA-N	1	1	373.501	2.404	20	30		FEEDMO
CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@@H]2C1	ZINC000193488218	328378187	/nfs/dbraw/zinc/37/81/87/328378187.db2.gz	XBENULRQLRFNLX-FGTMMUONSA-N	1	1	357.454	2.390	20	30		FEEDMO
CC(C)(C)CC[NH+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000081512729	325179611	/nfs/dbraw/zinc/17/96/11/325179611.db2.gz	PWXGWYJTXVGGGH-UHFFFAOYSA-N	1	1	363.527	2.386	20	30		FEEDMO
C[C@H](C(=O)NCc1ccc(-c2ccccc2C#N)cc1)N1CC[NH+](C)CC1	ZINC000091101395	325374822	/nfs/dbraw/zinc/37/48/22/325374822.db2.gz	ZJTGFXOEFXHLSR-QGZVFWFLSA-N	1	1	362.477	2.477	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000119096639	326126180	/nfs/dbraw/zinc/12/61/80/326126180.db2.gz	XPRCOYNCUTWRFN-UHFFFAOYSA-N	1	1	352.847	2.427	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CC[NH+](C)CC2)c1C#N	ZINC000120033672	326223519	/nfs/dbraw/zinc/22/35/19/326223519.db2.gz	ALANBITVKCZGDT-UHFFFAOYSA-N	1	1	351.454	2.152	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cccc(C#N)c1	ZINC000162387668	327024542	/nfs/dbraw/zinc/02/45/42/327024542.db2.gz	DNPFHZXHBFJMIP-KXBFYZLASA-N	1	1	355.463	2.357	20	30		FEEDMO
N#Cc1ccc(C[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C2CC2)cc1	ZINC000172765643	327217797	/nfs/dbraw/zinc/21/77/97/327217797.db2.gz	KKGDNKQLJYASJJ-UHFFFAOYSA-N	1	1	352.438	2.387	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C#N	ZINC000174789086	327351255	/nfs/dbraw/zinc/35/12/55/327351255.db2.gz	XBMMVZVTFVNCRE-IJEWVQPXSA-N	1	1	356.470	2.288	20	30		FEEDMO
N#Cc1ccc(OC2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)cc1	ZINC000264847357	329067023	/nfs/dbraw/zinc/06/70/23/329067023.db2.gz	IAUDNNBYWQLBNF-UHFFFAOYSA-N	1	1	374.510	2.160	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1	ZINC000266074613	329187754	/nfs/dbraw/zinc/18/77/54/329187754.db2.gz	APISYWOAPZMRBQ-GFCCVEGCSA-N	1	1	373.400	2.340	20	30		FEEDMO
Cc1cc(N2CCC(Nc3ncc([N+](=O)[O-])cc3C#N)CC2)nc(C)[nH+]1	ZINC000267388762	329321683	/nfs/dbraw/zinc/32/16/83/329321683.db2.gz	NBRDIGNXWSEWCE-UHFFFAOYSA-N	1	1	353.386	2.349	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000271834641	329729166	/nfs/dbraw/zinc/72/91/66/329729166.db2.gz	GNTXTVWTOVXDDP-UHFFFAOYSA-N	1	1	360.458	2.389	20	30		FEEDMO
C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000367117683	330218771	/nfs/dbraw/zinc/21/87/71/330218771.db2.gz	RUJTUZWWVDTXSO-FQEVSTJZSA-N	1	1	356.514	2.287	20	30		FEEDMO
CN1CCN(C[C@H]2CCC[N@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000367117683	330218773	/nfs/dbraw/zinc/21/87/73/330218773.db2.gz	RUJTUZWWVDTXSO-FQEVSTJZSA-N	1	1	356.514	2.287	20	30		FEEDMO
CN1CCN(C[C@H]2CCC[N@@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000367117683	330218775	/nfs/dbraw/zinc/21/87/75/330218775.db2.gz	RUJTUZWWVDTXSO-FQEVSTJZSA-N	1	1	356.514	2.287	20	30		FEEDMO
CN(C)C(=O)c1ccc(C[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)[nH]1	ZINC000367226379	330232961	/nfs/dbraw/zinc/23/29/61/330232961.db2.gz	LAWIILPGHOYUDH-UHFFFAOYSA-N	1	1	351.454	2.300	20	30		FEEDMO
CN(C)C(=O)c1ccc(C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)[nH]1	ZINC000367226379	330232963	/nfs/dbraw/zinc/23/29/63/330232963.db2.gz	LAWIILPGHOYUDH-UHFFFAOYSA-N	1	1	351.454	2.300	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCCn1cccc1	ZINC000328630859	523045570	/nfs/dbraw/zinc/04/55/70/523045570.db2.gz	QHZVATNNYHEUQB-FUHWJXTLSA-N	1	1	358.490	2.151	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C([O-])=[NH+]CCn1cccc1	ZINC000328630859	523045584	/nfs/dbraw/zinc/04/55/84/523045584.db2.gz	QHZVATNNYHEUQB-FUHWJXTLSA-N	1	1	358.490	2.151	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C([O-])=[NH+]CCn1cccc1	ZINC000328630859	523045595	/nfs/dbraw/zinc/04/55/95/523045595.db2.gz	QHZVATNNYHEUQB-FUHWJXTLSA-N	1	1	358.490	2.151	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000155622095	545551138	/nfs/dbraw/zinc/55/11/38/545551138.db2.gz	QEKARPHEKYAXIL-MJGOQNOKSA-N	1	1	357.502	2.289	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1	ZINC000155839345	545575181	/nfs/dbraw/zinc/57/51/81/545575181.db2.gz	IFTJMMJYTNWZFW-GUXCAODWSA-N	1	1	368.485	2.352	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc3ccccn32)C1	ZINC000155839345	545575183	/nfs/dbraw/zinc/57/51/83/545575183.db2.gz	IFTJMMJYTNWZFW-GUXCAODWSA-N	1	1	368.485	2.352	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000157544312	545753588	/nfs/dbraw/zinc/75/35/88/545753588.db2.gz	FRVPUKXBKMAVIY-ZDUSSCGKSA-N	1	1	366.443	2.009	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1C#N	ZINC000157873249	545794582	/nfs/dbraw/zinc/79/45/82/545794582.db2.gz	GOSMLZMPOCSYAG-HNNXBMFYSA-N	1	1	359.474	2.103	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1	ZINC000157910520	545798585	/nfs/dbraw/zinc/79/85/85/545798585.db2.gz	SPVGWSYSKSQRSE-NJYVYQBISA-N	1	1	352.434	2.416	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1	ZINC000157910520	545798589	/nfs/dbraw/zinc/79/85/89/545798589.db2.gz	SPVGWSYSKSQRSE-NJYVYQBISA-N	1	1	352.434	2.416	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)[C@@H](C)Oc3ccc(C#N)cc3)CC2)c1	ZINC000158666069	545882592	/nfs/dbraw/zinc/88/25/92/545882592.db2.gz	BCHRSIMRYUOFQO-MRXNPFEDSA-N	1	1	350.422	2.378	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000478149116	561160985	/nfs/dbraw/zinc/16/09/85/561160985.db2.gz	ROKCGHKNMACDMX-IYBDPMFKSA-N	1	1	359.470	2.269	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000478149116	561160986	/nfs/dbraw/zinc/16/09/86/561160986.db2.gz	ROKCGHKNMACDMX-IYBDPMFKSA-N	1	1	359.470	2.269	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)Cc1cc(C#N)ccc1F)C1CCCCC1	ZINC000161447857	546130916	/nfs/dbraw/zinc/13/09/16/546130916.db2.gz	KHWGKRCMXGNVOI-UHFFFAOYSA-N	1	1	353.463	2.381	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1	ZINC000171854596	546227880	/nfs/dbraw/zinc/22/78/80/546227880.db2.gz	OARWBEAMNRLSIR-SFHVURJKSA-N	1	1	361.486	2.407	20	30		FEEDMO
CC[NH+]1CCN(c2ccc(C(=O)Nc3ccn(CCC#N)n3)cc2F)CC1	ZINC000172090601	546235637	/nfs/dbraw/zinc/23/56/37/546235637.db2.gz	SXVOQYHLFUWEHT-UHFFFAOYSA-N	1	1	370.432	2.330	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000173727342	546285547	/nfs/dbraw/zinc/28/55/47/546285547.db2.gz	AMSVDBDRIRXOES-HNNXBMFYSA-N	1	1	374.510	2.431	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1	ZINC000175939399	546375813	/nfs/dbraw/zinc/37/58/13/546375813.db2.gz	HGRRDGMNZPLVLV-MRXNPFEDSA-N	1	1	370.384	2.182	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000480695020	561214708	/nfs/dbraw/zinc/21/47/08/561214708.db2.gz	IQTANEQSSIIOLP-ZIAGYGMSSA-N	1	1	353.463	2.237	20	30		FEEDMO
C=CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)CCc1ccccc1	ZINC000177025844	546526918	/nfs/dbraw/zinc/52/69/18/546526918.db2.gz	PBOCCEZVTVZXGK-UHFFFAOYSA-N	1	1	357.376	2.495	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C[N@H+]1C1CC1	ZINC000177146130	546554871	/nfs/dbraw/zinc/55/48/71/546554871.db2.gz	UAXZLZKGOCONPB-IAGOWNOFSA-N	1	1	368.481	2.455	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c(F)c1	ZINC000481017989	561222955	/nfs/dbraw/zinc/22/29/55/561222955.db2.gz	DJTYFXKOEPBUBF-OAHLLOKOSA-N	1	1	351.447	2.134	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C	ZINC000178100923	546739148	/nfs/dbraw/zinc/73/91/48/546739148.db2.gz	OSGQJUZNEXPYOM-MRXNPFEDSA-N	1	1	372.469	2.228	20	30		FEEDMO
CN(C(=O)c1cc(C#N)cn1C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000178928934	546874917	/nfs/dbraw/zinc/87/49/17/546874917.db2.gz	YQJQQWQXPIQEQS-MOPGFXCFSA-N	1	1	371.529	2.306	20	30		FEEDMO
C=CCC[C@@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1	ZINC000179170229	546909504	/nfs/dbraw/zinc/90/95/04/546909504.db2.gz	OXFOHFLBURYCTC-GOSISDBHSA-N	1	1	358.486	2.157	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1	ZINC000179475525	546960693	/nfs/dbraw/zinc/96/06/93/546960693.db2.gz	GBOYOCNYLHFLBM-ROUUACIJSA-N	1	1	366.396	2.197	20	30		FEEDMO
Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CC(C)(C)CCC#N)CC1	ZINC000179808454	547015234	/nfs/dbraw/zinc/01/52/34/547015234.db2.gz	PLWQSBQOPYRQJE-UHFFFAOYSA-N	1	1	368.503	2.318	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1	ZINC000180402561	547101463	/nfs/dbraw/zinc/10/14/63/547101463.db2.gz	GRBWDARMSTVDKQ-RDJZCZTQSA-N	1	1	353.466	2.376	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCN(CC(F)F)CC1	ZINC000180575005	547133384	/nfs/dbraw/zinc/13/33/84/547133384.db2.gz	DOZAXEXXMCMFES-QGZVFWFLSA-N	1	1	354.441	2.428	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000180679339	547156886	/nfs/dbraw/zinc/15/68/86/547156886.db2.gz	XKVOXPUVBXMRHO-HOTGVXAUSA-N	1	1	359.470	2.269	20	30		FEEDMO
C=C(C)C[N@@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br	ZINC000181259227	547281590	/nfs/dbraw/zinc/28/15/90/547281590.db2.gz	KAMKVDFRTSRAPV-UHFFFAOYSA-N	1	1	354.248	2.012	20	30		FEEDMO
C=C(C)C[N@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br	ZINC000181259227	547281594	/nfs/dbraw/zinc/28/15/94/547281594.db2.gz	KAMKVDFRTSRAPV-UHFFFAOYSA-N	1	1	354.248	2.012	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000181911940	547402722	/nfs/dbraw/zinc/40/27/22/547402722.db2.gz	YWDFWCKYCYESII-HOTGVXAUSA-N	1	1	372.469	2.010	20	30		FEEDMO
C=C(C)C[N@H+](CC)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000182670378	547530127	/nfs/dbraw/zinc/53/01/27/547530127.db2.gz	WRHJBLIVKGHZLR-IBGZPJMESA-N	1	1	358.461	2.433	20	30		FEEDMO
C=C(C)COCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO	ZINC000182723365	547541132	/nfs/dbraw/zinc/54/11/32/547541132.db2.gz	JLTAHCKSJZDCSN-LJQANCHMSA-N	1	1	361.486	2.035	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](CCC(N)=O)C3)C2=O)cc1	ZINC000182738917	547544340	/nfs/dbraw/zinc/54/43/40/547544340.db2.gz	FKISOTVOHCMGHI-SJLPKXTDSA-N	1	1	354.454	2.031	20	30		FEEDMO
CC[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1CCOC	ZINC000182751904	547546588	/nfs/dbraw/zinc/54/65/88/547546588.db2.gz	XSKMOOMQRBYTTB-UYAOXDASSA-N	1	1	370.497	2.096	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(CCC[NH+](CC)CC)CC1	ZINC000182753821	547547580	/nfs/dbraw/zinc/54/75/80/547547580.db2.gz	NHEYZPFZZVOCJG-MRXNPFEDSA-N	1	1	352.523	2.221	20	30		FEEDMO
CC1(C)CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000182803186	547554260	/nfs/dbraw/zinc/55/42/60/547554260.db2.gz	BGOXJCFUELFWDU-GOSISDBHSA-N	1	1	358.461	2.266	20	30		FEEDMO
CN(C(=O)C[NH2+][C@@H](C[S@](C)=O)c1ccccc1)C1(C#N)CCCCC1	ZINC000183080656	547597590	/nfs/dbraw/zinc/59/75/90/547597590.db2.gz	KLSKSYLYHMNNOS-GKVSMKOHSA-N	1	1	361.511	2.381	20	30		FEEDMO
CC(C)([C@H](NCC(=O)NCC#N)c1ccc(F)c(F)c1)[NH+]1CCCC1	ZINC000484531056	561299230	/nfs/dbraw/zinc/29/92/30/561299230.db2.gz	GIOCIESPRSIZHG-QGZVFWFLSA-N	1	1	350.413	2.110	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCCc3c[nH]nn3)CC2)cc1	ZINC000184615524	547854196	/nfs/dbraw/zinc/85/41/96/547854196.db2.gz	ZEORGXGGWUMFIF-UHFFFAOYSA-N	1	1	366.469	2.124	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCCc3cn[nH]n3)CC2)cc1	ZINC000184615524	547854202	/nfs/dbraw/zinc/85/42/02/547854202.db2.gz	ZEORGXGGWUMFIF-UHFFFAOYSA-N	1	1	366.469	2.124	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCCCc3cn[nH]n3)CC2)cc1	ZINC000184615524	547854205	/nfs/dbraw/zinc/85/42/05/547854205.db2.gz	ZEORGXGGWUMFIF-UHFFFAOYSA-N	1	1	366.469	2.124	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H](C)C1	ZINC000184626618	547856525	/nfs/dbraw/zinc/85/65/25/547856525.db2.gz	CIAWMWQPOSYHNH-RHSMWYFYSA-N	1	1	367.457	2.333	20	30		FEEDMO
Cn1c2ccccc2nc1C(C)(C)[NH2+]CC(=O)N(CCC#N)CCC#N	ZINC000186575085	548153189	/nfs/dbraw/zinc/15/31/89/548153189.db2.gz	ZXOVWDGIKMHACP-UHFFFAOYSA-N	1	1	352.442	2.054	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@]23CCOC3=O)sc2c1CCC2	ZINC000186676330	548172455	/nfs/dbraw/zinc/17/24/55/548172455.db2.gz	MRYBKWZUCDOXLZ-GOSISDBHSA-N	1	1	359.451	2.219	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@]23CCOC3=O)sc2c1CCC2	ZINC000186676330	548172459	/nfs/dbraw/zinc/17/24/59/548172459.db2.gz	MRYBKWZUCDOXLZ-GOSISDBHSA-N	1	1	359.451	2.219	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)CC1(O)CCOCC1	ZINC000189750291	548311133	/nfs/dbraw/zinc/31/11/33/548311133.db2.gz	HCKXOYISJKNKNO-UHFFFAOYSA-N	1	1	365.861	2.060	20	30		FEEDMO
CCc1n[nH]c(C2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)n1	ZINC000190683064	548332119	/nfs/dbraw/zinc/33/21/19/548332119.db2.gz	IKAKXYJZYSVLOT-UHFFFAOYSA-N	1	1	366.469	2.493	20	30		FEEDMO
C=CC[N@@H+](CCOC)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1	ZINC000191085680	548339989	/nfs/dbraw/zinc/33/99/89/548339989.db2.gz	OOJMDOAVUYRGRK-UHFFFAOYSA-N	1	1	374.481	2.478	20	30		FEEDMO
C=CC[N@H+](CCOC)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1	ZINC000191085680	548339991	/nfs/dbraw/zinc/33/99/91/548339991.db2.gz	OOJMDOAVUYRGRK-UHFFFAOYSA-N	1	1	374.481	2.478	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H](C(N)=O)O1	ZINC000191549447	548346491	/nfs/dbraw/zinc/34/64/91/548346491.db2.gz	WEXFZRSXCAOJEH-XLIONFOSSA-N	1	1	363.461	2.461	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H](C(N)=O)O1	ZINC000191549447	548346497	/nfs/dbraw/zinc/34/64/97/548346497.db2.gz	WEXFZRSXCAOJEH-XLIONFOSSA-N	1	1	363.461	2.461	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[NH+]1CCC(c2nc(C(=O)OCC)cs2)CC1	ZINC000191573938	548347834	/nfs/dbraw/zinc/34/78/34/548347834.db2.gz	IUMNORPBIMPRNM-LBPRGKRZSA-N	1	1	351.472	2.190	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1C(=O)NCC[C@H]1C	ZINC000193583074	548390454	/nfs/dbraw/zinc/39/04/54/548390454.db2.gz	XLGBONKMUWUMQG-IIYDPXPESA-N	1	1	360.483	2.134	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CNc2ccc(C#N)cc2Cl)C1	ZINC000486548686	561350441	/nfs/dbraw/zinc/35/04/41/561350441.db2.gz	KLQHUKGCBJWPQD-OAHLLOKOSA-N	1	1	364.877	2.097	20	30		FEEDMO
CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000194859035	548541282	/nfs/dbraw/zinc/54/12/82/548541282.db2.gz	ANIBDNZSHUZALP-FXAWDEMLSA-N	1	1	360.454	2.209	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](CCC(N)=O)C1	ZINC000245393511	548906150	/nfs/dbraw/zinc/90/61/50/548906150.db2.gz	DDGWHXSZJNMGQQ-RXCRORICSA-N	1	1	362.518	2.283	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000245598631	548954649	/nfs/dbraw/zinc/95/46/49/548954649.db2.gz	TVMFFVRMFQAIAB-FPOVZHCZSA-N	1	1	363.461	2.480	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000245609049	548957573	/nfs/dbraw/zinc/95/75/73/548957573.db2.gz	KWBPTZWCILVFAH-FUHWJXTLSA-N	1	1	369.465	2.421	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCC[C@H]1C	ZINC000488039309	561382069	/nfs/dbraw/zinc/38/20/69/561382069.db2.gz	AVWOZBVLQXSPBM-CRAIPNDOSA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCC[C@H]1C	ZINC000488039309	561382070	/nfs/dbraw/zinc/38/20/70/561382070.db2.gz	AVWOZBVLQXSPBM-CRAIPNDOSA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCC[C@@H]1C	ZINC000488039323	561382133	/nfs/dbraw/zinc/38/21/33/561382133.db2.gz	AVWOZBVLQXSPBM-YJBOKZPZSA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCC[C@@H]1C	ZINC000488039323	561382134	/nfs/dbraw/zinc/38/21/34/561382134.db2.gz	AVWOZBVLQXSPBM-YJBOKZPZSA-N	1	1	350.484	2.469	20	30		FEEDMO
C[C@H](C1CC1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000245843333	549002558	/nfs/dbraw/zinc/00/25/58/549002558.db2.gz	DEEPZBNWZHCSCZ-DNVCBOLYSA-N	1	1	358.461	2.265	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2Cc3ccccc3C[C@@H]2C)CC1	ZINC000245999420	549033611	/nfs/dbraw/zinc/03/36/11/549033611.db2.gz	IWXFMOGNCHWNNT-FXAWDEMLSA-N	1	1	354.498	2.126	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000246086352	549049129	/nfs/dbraw/zinc/04/91/29/549049129.db2.gz	CFTLPDXSNCUGMX-NVXWUHKLSA-N	1	1	374.460	2.261	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000246110748	549054230	/nfs/dbraw/zinc/05/42/30/549054230.db2.gz	JJJVOZWALGWZKG-GOEBONIOSA-N	1	1	364.453	2.303	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000246110748	549054231	/nfs/dbraw/zinc/05/42/31/549054231.db2.gz	JJJVOZWALGWZKG-GOEBONIOSA-N	1	1	364.453	2.303	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000246189302	549072665	/nfs/dbraw/zinc/07/26/65/549072665.db2.gz	WASXYFCUGWFFKF-HZPDHXFCSA-N	1	1	370.501	2.135	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000246189302	549072667	/nfs/dbraw/zinc/07/26/67/549072667.db2.gz	WASXYFCUGWFFKF-HZPDHXFCSA-N	1	1	370.501	2.135	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)CN1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000488670193	561394316	/nfs/dbraw/zinc/39/43/16/561394316.db2.gz	ACKNWRZPFFJRIM-RXVVDRJESA-N	1	1	374.525	2.340	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000246592274	549170928	/nfs/dbraw/zinc/17/09/28/549170928.db2.gz	FWQSPKFTSSAADU-CHWSQXEVSA-N	1	1	360.376	2.068	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000246592274	549170930	/nfs/dbraw/zinc/17/09/30/549170930.db2.gz	FWQSPKFTSSAADU-CHWSQXEVSA-N	1	1	360.376	2.068	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(C#N)c1C	ZINC000247576309	549361321	/nfs/dbraw/zinc/36/13/21/549361321.db2.gz	HUZCNWMBOWIVHV-UKRRQHHQSA-N	1	1	356.430	2.099	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cn3cncn3)C2)c(C#N)c1C	ZINC000247576309	549361322	/nfs/dbraw/zinc/36/13/22/549361322.db2.gz	HUZCNWMBOWIVHV-UKRRQHHQSA-N	1	1	356.430	2.099	20	30		FEEDMO
CCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000248872463	549518880	/nfs/dbraw/zinc/51/88/80/549518880.db2.gz	KTTXIBYVBHUOFX-FPOVZHCZSA-N	1	1	354.498	2.391	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1	ZINC000490245536	561429477	/nfs/dbraw/zinc/42/94/77/561429477.db2.gz	LPJGFJGDGHAMSU-QZTJIDSGSA-N	1	1	373.497	2.170	20	30		FEEDMO
C=CCc1cc(C(=O)NCc2c[nH+]c(N(C)C)n2C)cc(OC)c1OC	ZINC000265116779	550006214	/nfs/dbraw/zinc/00/62/14/550006214.db2.gz	MKIXVZBPSBOXPP-UHFFFAOYSA-N	1	1	358.442	2.162	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)CC1	ZINC000266099966	550017392	/nfs/dbraw/zinc/01/73/92/550017392.db2.gz	KOUNVCHKHBMZLW-JOCHJYFZSA-N	1	1	367.493	2.096	20	30		FEEDMO
CC(C)OCCOC[C@@H](O)C[N@@H+](C)CCCOc1cccc(C#N)c1	ZINC000268642425	550098206	/nfs/dbraw/zinc/09/82/06/550098206.db2.gz	DVAGGDODQHNQKL-SFHVURJKSA-N	1	1	350.459	2.061	20	30		FEEDMO
C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[NH+]1CCSCC1	ZINC000269684657	550216756	/nfs/dbraw/zinc/21/67/56/550216756.db2.gz	MENXECYUDAUQFO-OAHLLOKOSA-N	1	1	359.495	2.365	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000270145186	550251814	/nfs/dbraw/zinc/25/18/14/550251814.db2.gz	FFQGDYWYEWVUNG-INIZCTEOSA-N	1	1	368.481	2.218	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc(CC#N)cc2)CC1	ZINC000270356626	550264672	/nfs/dbraw/zinc/26/46/72/550264672.db2.gz	QEDLMDGYXDOKIB-HDICACEKSA-N	1	1	354.498	2.383	20	30		FEEDMO
C#CC[C@H](NC(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1)c1ccccc1	ZINC000270478425	550276136	/nfs/dbraw/zinc/27/61/36/550276136.db2.gz	WFMNZWNDEOLZNT-QUCCMNQESA-N	1	1	356.514	2.324	20	30		FEEDMO
COc1ccc(C[N@@H+](C)CCC(=O)N(C)CCC#N)cc1OC(F)F	ZINC000270619618	550289892	/nfs/dbraw/zinc/28/98/92/550289892.db2.gz	DDNOAVYXVUAYNI-UHFFFAOYSA-N	1	1	355.385	2.491	20	30		FEEDMO
C#CCC[NH+]1CCN(Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)CC1	ZINC000270621851	550290018	/nfs/dbraw/zinc/29/00/18/550290018.db2.gz	OYUWRSCOMKKWHC-UHFFFAOYSA-N	1	1	356.495	2.417	20	30		FEEDMO
C#CCOc1ccc(C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1	ZINC000270831867	550311637	/nfs/dbraw/zinc/31/16/37/550311637.db2.gz	CTULEDNENSZWOH-UHFFFAOYSA-N	1	1	369.509	2.329	20	30		FEEDMO
CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@H]1O	ZINC000270930207	550322622	/nfs/dbraw/zinc/32/26/22/550322622.db2.gz	QBTWVFAIAILWQJ-CRAIPNDOSA-N	1	1	370.453	2.259	20	30		FEEDMO
CC[C@@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@H]1O	ZINC000270930207	550322624	/nfs/dbraw/zinc/32/26/24/550322624.db2.gz	QBTWVFAIAILWQJ-CRAIPNDOSA-N	1	1	370.453	2.259	20	30		FEEDMO
C=CCOc1cccc(C[N@@H+](C)CC(=O)N2CCC(C(=O)OCC)CC2)c1	ZINC000271154200	550346107	/nfs/dbraw/zinc/34/61/07/550346107.db2.gz	MHWKVAMBANEKMV-UHFFFAOYSA-N	1	1	374.481	2.485	20	30		FEEDMO
C=CCOc1cccc(C[N@H+](C)CC(=O)N2CCC(C(=O)OCC)CC2)c1	ZINC000271154200	550346108	/nfs/dbraw/zinc/34/61/08/550346108.db2.gz	MHWKVAMBANEKMV-UHFFFAOYSA-N	1	1	374.481	2.485	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CCNC(=O)C(C)C	ZINC000271265223	550359490	/nfs/dbraw/zinc/35/94/90/550359490.db2.gz	VRWQQAIVCLLSSZ-HNNXBMFYSA-N	1	1	351.516	2.355	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CCNC(=O)C(C)C	ZINC000271265223	550359492	/nfs/dbraw/zinc/35/94/92/550359492.db2.gz	VRWQQAIVCLLSSZ-HNNXBMFYSA-N	1	1	351.516	2.355	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)[C@H]2C1	ZINC000272455895	550450049	/nfs/dbraw/zinc/45/00/49/550450049.db2.gz	JYMAXLAEAXAMSJ-MJGOQNOKSA-N	1	1	368.481	2.266	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)c1ccc(F)cc1C#N)CCC(F)(F)F	ZINC000494405762	561468952	/nfs/dbraw/zinc/46/89/52/561468952.db2.gz	NNFFXRMDSQPJCY-UHFFFAOYSA-N	1	1	367.368	2.250	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1ccc(F)cc1C#N)CCC(F)(F)F	ZINC000494405762	561468953	/nfs/dbraw/zinc/46/89/53/561468953.db2.gz	NNFFXRMDSQPJCY-UHFFFAOYSA-N	1	1	367.368	2.250	20	30		FEEDMO
C[N@@H+]1CC=C(CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000273951305	550517112	/nfs/dbraw/zinc/51/71/12/550517112.db2.gz	MVFHQRCDSAFSGQ-UHFFFAOYSA-N	1	1	359.373	2.117	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH2+][C@@H](CCSC)c1nnc2ccccn21	ZINC000274051193	550521153	/nfs/dbraw/zinc/52/11/53/550521153.db2.gz	PKIRWCNEFSNINC-HNNXBMFYSA-N	1	1	359.499	2.314	20	30		FEEDMO
C=CCc1cc(C[N@H+](C)CCOCCOCCOC)cc(OC)c1O	ZINC000276231021	550577519	/nfs/dbraw/zinc/57/75/19/550577519.db2.gz	RVAHUEIRCXNVJD-UHFFFAOYSA-N	1	1	353.459	2.241	20	30		FEEDMO
C=CCC[N@@H+](C)CC(=O)Nc1sc(C(=O)NC)c(C)c1C(=O)OCC	ZINC000276332792	550578158	/nfs/dbraw/zinc/57/81/58/550578158.db2.gz	BLCBNROSCLDMLT-UHFFFAOYSA-N	1	1	367.471	2.039	20	30		FEEDMO
C=CCC[N@H+](C)CC(=O)Nc1sc(C(=O)NC)c(C)c1C(=O)OCC	ZINC000276332792	550578160	/nfs/dbraw/zinc/57/81/60/550578160.db2.gz	BLCBNROSCLDMLT-UHFFFAOYSA-N	1	1	367.471	2.039	20	30		FEEDMO
C=CCC[N@H+](C)CC(=O)N(CCOC)CC(=O)Nc1c(C)cccc1C	ZINC000276417726	550578556	/nfs/dbraw/zinc/57/85/56/550578556.db2.gz	MHOLAJTZNVFTDE-UHFFFAOYSA-N	1	1	361.486	2.225	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000278306360	550770995	/nfs/dbraw/zinc/77/09/95/550770995.db2.gz	ARXHBNXAZPVSCJ-AWEZNQCLSA-N	1	1	358.442	2.284	20	30		FEEDMO
N#C[C@H]1CC[C@H]([N@@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1	ZINC000278602535	550803395	/nfs/dbraw/zinc/80/33/95/550803395.db2.gz	LWFWFBWJBDANBK-HOCLYGCPSA-N	1	1	351.447	2.214	20	30		FEEDMO
N#C[C@H]1CC[C@H]([N@H+]2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1	ZINC000278602535	550803397	/nfs/dbraw/zinc/80/33/97/550803397.db2.gz	LWFWFBWJBDANBK-HOCLYGCPSA-N	1	1	351.447	2.214	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc(F)c(C#N)c1	ZINC000279366402	550881927	/nfs/dbraw/zinc/88/19/27/550881927.db2.gz	GOTYKFPYRBCDTG-HNNXBMFYSA-N	1	1	367.428	2.033	20	30		FEEDMO
COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1	ZINC000279716045	550920298	/nfs/dbraw/zinc/92/02/98/550920298.db2.gz	BFTLJKLZWVNNAI-OAHLLOKOSA-N	1	1	357.454	2.197	20	30		FEEDMO
C[C@H]1OCC[C@@]12C[N@@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2	ZINC000279782097	550928010	/nfs/dbraw/zinc/92/80/10/550928010.db2.gz	NRXAYAHBWMJKJL-NVEXJGOOSA-N	1	1	369.465	2.322	20	30		FEEDMO
C[C@H]1OCC[C@@]12C[N@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2	ZINC000279782097	550928011	/nfs/dbraw/zinc/92/80/11/550928011.db2.gz	NRXAYAHBWMJKJL-NVEXJGOOSA-N	1	1	369.465	2.322	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)N(C)CC[N@@H+]2CCOC(C)(C)C2)c(C#N)c1C	ZINC000279779190	550928169	/nfs/dbraw/zinc/92/81/69/550928169.db2.gz	UDWQRWFJSXSPDD-CQSZACIVSA-N	1	1	362.474	2.138	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)N(C)CC[N@H+]2CCOC(C)(C)C2)c(C#N)c1C	ZINC000279779190	550928171	/nfs/dbraw/zinc/92/81/71/550928171.db2.gz	UDWQRWFJSXSPDD-CQSZACIVSA-N	1	1	362.474	2.138	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O	ZINC000279809896	550931537	/nfs/dbraw/zinc/93/15/37/550931537.db2.gz	FQHCWJMQJPLREM-GOSISDBHSA-N	1	1	358.486	2.114	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[N@H+](C(C)C)CC3)CC2)o1	ZINC000280182268	550968734	/nfs/dbraw/zinc/96/87/34/550968734.db2.gz	GVZKDNXXBBZWRA-UHFFFAOYSA-N	1	1	359.474	2.014	20	30		FEEDMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000280408076	550990386	/nfs/dbraw/zinc/99/03/86/550990386.db2.gz	YHWBFFOMVNEBES-SFHVURJKSA-N	1	1	370.497	2.160	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC=CCC1	ZINC000280453936	550995665	/nfs/dbraw/zinc/99/56/65/550995665.db2.gz	NNWUUZBYTJARGZ-HNNXBMFYSA-N	1	1	372.494	2.255	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC=CCC1	ZINC000280453936	550995667	/nfs/dbraw/zinc/99/56/67/550995667.db2.gz	NNWUUZBYTJARGZ-HNNXBMFYSA-N	1	1	372.494	2.255	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000280840973	551037760	/nfs/dbraw/zinc/03/77/60/551037760.db2.gz	XJGZJWDZSNBDSV-OAHLLOKOSA-N	1	1	366.421	2.409	20	30		FEEDMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000281027814	551056055	/nfs/dbraw/zinc/05/60/55/551056055.db2.gz	ZXXXNMDNTZHNFM-HNNXBMFYSA-N	1	1	374.510	2.380	20	30		FEEDMO
N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC[N@H+](CCO)CC1	ZINC000281084178	551061613	/nfs/dbraw/zinc/06/16/13/551061613.db2.gz	CDWHYQQYWZULOU-UHFFFAOYSA-N	1	1	350.344	2.028	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](C)C1	ZINC000281229660	551076152	/nfs/dbraw/zinc/07/61/52/551076152.db2.gz	OVRNPSIRZZDLPO-OAHLLOKOSA-N	1	1	357.454	2.197	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](C)C1	ZINC000281229660	551076154	/nfs/dbraw/zinc/07/61/54/551076154.db2.gz	OVRNPSIRZZDLPO-OAHLLOKOSA-N	1	1	357.454	2.197	20	30		FEEDMO
CN(CCC[NH+]1CCN(c2ncccc2C#N)CC1)C(=O)OC(C)(C)C	ZINC000281410715	551093794	/nfs/dbraw/zinc/09/37/94/551093794.db2.gz	XBOBYVOBRSHLEW-UHFFFAOYSA-N	1	1	359.474	2.332	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1	ZINC000281534156	551110040	/nfs/dbraw/zinc/11/00/40/551110040.db2.gz	WKRRNYDAOVGVLV-IPMKNSEASA-N	1	1	362.495	2.347	20	30		FEEDMO
CC[N@@H+](CCOCCO)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000281883164	551152661	/nfs/dbraw/zinc/15/26/61/551152661.db2.gz	ALAUBNOVSZUVJX-SFHVURJKSA-N	1	1	361.486	2.269	20	30		FEEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000282039250	551172628	/nfs/dbraw/zinc/17/26/28/551172628.db2.gz	UOCGLDIQMDTRPZ-UHFFFAOYSA-N	1	1	369.513	2.282	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1	ZINC000282085741	551178664	/nfs/dbraw/zinc/17/86/64/551178664.db2.gz	OJBBWGROCYZJDA-IAGOWNOFSA-N	1	1	357.502	2.407	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1	ZINC000282085741	551178665	/nfs/dbraw/zinc/17/86/65/551178665.db2.gz	OJBBWGROCYZJDA-IAGOWNOFSA-N	1	1	357.502	2.407	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCNC1=O	ZINC000282278592	551205341	/nfs/dbraw/zinc/20/53/41/551205341.db2.gz	IBRUPAMQDLUFGP-AWEZNQCLSA-N	1	1	360.483	2.038	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cc(Br)cc3nc[nH]c32)CC1	ZINC000282401101	551223457	/nfs/dbraw/zinc/22/34/57/551223457.db2.gz	XWCBVRHJOFEZRB-UHFFFAOYSA-N	1	1	361.243	2.107	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1	ZINC000282444225	551229901	/nfs/dbraw/zinc/22/99/01/551229901.db2.gz	JTARKQBTYLPEHP-GHTZIAJQSA-N	1	1	366.465	2.234	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c(F)c1	ZINC000283403981	551360564	/nfs/dbraw/zinc/36/05/64/551360564.db2.gz	WRCMMEDYMMVUKJ-WBMJQRKESA-N	1	1	363.408	2.073	20	30		FEEDMO
CN1CCO[C@@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]21	ZINC000284233165	551506476	/nfs/dbraw/zinc/50/64/76/551506476.db2.gz	DPKYMUQDNHAIDR-WOJBJXKFSA-N	1	1	365.481	2.369	20	30		FEEDMO
CN1CCO[C@@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@H]21	ZINC000284233165	551506479	/nfs/dbraw/zinc/50/64/79/551506479.db2.gz	DPKYMUQDNHAIDR-WOJBJXKFSA-N	1	1	365.481	2.369	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH2+][C@@H](c1nc(C)no1)C1CCOCC1	ZINC000498338301	561522617	/nfs/dbraw/zinc/52/26/17/561522617.db2.gz	BEBDXAMWDGVONK-GOSISDBHSA-N	1	1	372.425	2.395	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C)[N@@H+](CC)C[C@@H]3C)cc2C1=O	ZINC000498585447	561529663	/nfs/dbraw/zinc/52/96/63/561529663.db2.gz	STRXPQFQBUHJQW-KGLIPLIRSA-N	1	1	355.438	2.023	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NCCn3cnc(C#N)n3)c12	ZINC000285097142	551703836	/nfs/dbraw/zinc/70/38/36/551703836.db2.gz	OKNWPEBOTQRFCU-UHFFFAOYSA-N	1	1	362.397	2.265	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1	ZINC000285326046	551738622	/nfs/dbraw/zinc/73/86/22/551738622.db2.gz	UBOAKRYWWWPVOI-SFHVURJKSA-N	1	1	355.482	2.192	20	30		FEEDMO
N#CC1(CS(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CCCC1	ZINC000498909373	561537557	/nfs/dbraw/zinc/53/75/57/561537557.db2.gz	WHOJACVVVGKBDY-OAHLLOKOSA-N	1	1	351.472	2.420	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000285626555	551785170	/nfs/dbraw/zinc/78/51/70/551785170.db2.gz	QZQOALGBNNGDPQ-OAQYLSRUSA-N	1	1	354.498	2.347	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1	ZINC000285626555	551785172	/nfs/dbraw/zinc/78/51/72/551785172.db2.gz	QZQOALGBNNGDPQ-OAQYLSRUSA-N	1	1	354.498	2.347	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccc1F	ZINC000285875877	551822222	/nfs/dbraw/zinc/82/22/22/551822222.db2.gz	WFOPZXWGQNGXSQ-AZUAARDMSA-N	1	1	367.424	2.310	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)c(F)c1	ZINC000286321538	551873855	/nfs/dbraw/zinc/87/38/55/551873855.db2.gz	HNYJPKLATMMRCI-WDYCEAGBSA-N	1	1	356.445	2.267	20	30		FEEDMO
C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCCCCC#N)CC[N@H+]1Cc1ccccc1	ZINC000286363170	551878738	/nfs/dbraw/zinc/87/87/38/551878738.db2.gz	CNGDKHZVZXXILS-MJGOQNOKSA-N	1	1	370.497	2.308	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000286975231	551946742	/nfs/dbraw/zinc/94/67/42/551946742.db2.gz	OWOXIOMLVQYLFL-MRXNPFEDSA-N	1	1	370.497	2.191	20	30		FEEDMO
COc1cc(OC)c2ncc(C#N)c(N[C@@H](C)C[NH+]3CCN(C)CC3)c2c1	ZINC000287329197	551990275	/nfs/dbraw/zinc/99/02/75/551990275.db2.gz	MNDHHUMEYNQABV-AWEZNQCLSA-N	1	1	369.469	2.171	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1	ZINC000287835907	552052857	/nfs/dbraw/zinc/05/28/57/552052857.db2.gz	CJKPZZPRIUSLID-UHFFFAOYSA-N	1	1	360.502	2.030	20	30		FEEDMO
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1	ZINC000288025955	552076951	/nfs/dbraw/zinc/07/69/51/552076951.db2.gz	HMALUPKQTAAKMS-HNNXBMFYSA-N	1	1	359.451	2.436	20	30		FEEDMO
C[C@H]1CCN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1	ZINC000288025955	552076952	/nfs/dbraw/zinc/07/69/52/552076952.db2.gz	HMALUPKQTAAKMS-HNNXBMFYSA-N	1	1	359.451	2.436	20	30		FEEDMO
N#Cc1ccnc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1	ZINC000288374723	552142831	/nfs/dbraw/zinc/14/28/31/552142831.db2.gz	JIOMVQUBUBIIPA-QGZVFWFLSA-N	1	1	352.463	2.301	20	30		FEEDMO
N#Cc1ccnc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1	ZINC000288374723	552142834	/nfs/dbraw/zinc/14/28/34/552142834.db2.gz	JIOMVQUBUBIIPA-QGZVFWFLSA-N	1	1	352.463	2.301	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1	ZINC000288502987	552164635	/nfs/dbraw/zinc/16/46/35/552164635.db2.gz	RNVZFBMBGMXCGQ-UHFFFAOYSA-N	1	1	368.437	2.379	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1	ZINC000289201739	552281807	/nfs/dbraw/zinc/28/18/07/552281807.db2.gz	BLUNMMNOESJRSO-UZLBHIALSA-N	1	1	355.438	2.041	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1C#N	ZINC000289249903	552289075	/nfs/dbraw/zinc/28/90/75/552289075.db2.gz	FCAGKMHIGOTUOI-KRWDZBQOSA-N	1	1	373.501	2.024	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)CCCCC1	ZINC000289513768	552333597	/nfs/dbraw/zinc/33/35/97/552333597.db2.gz	RFEMZKKXCVGZMA-SFHVURJKSA-N	1	1	352.482	2.466	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1	ZINC000289529646	552335871	/nfs/dbraw/zinc/33/58/71/552335871.db2.gz	HPGSMOBTHRMMMT-MRXNPFEDSA-N	1	1	368.481	2.062	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc(OC)c1O	ZINC000289838794	552386892	/nfs/dbraw/zinc/38/68/92/552386892.db2.gz	UNCDDDIVSHMYFP-FOIQADDNSA-N	1	1	373.453	2.082	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@H+]1CCCC[C@@H]1C	ZINC000500806199	561583124	/nfs/dbraw/zinc/58/31/24/561583124.db2.gz	FNFWWENIXIFLTH-UONOGXRCSA-N	1	1	353.463	2.380	20	30		FEEDMO
C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000290416161	552475776	/nfs/dbraw/zinc/47/57/76/552475776.db2.gz	PQEARYBDAFLMRV-GDBMZVCRSA-N	1	1	359.474	2.442	20	30		FEEDMO
C=C(C)Cn1c(SC[C@H](O)C[N@H+](C)C2CC2)nnc1-c1ccncc1	ZINC000290728557	552527362	/nfs/dbraw/zinc/52/73/62/552527362.db2.gz	FSIQGPHTUAFKHT-MRXNPFEDSA-N	1	1	359.499	2.463	20	30		FEEDMO
N#Cc1cncc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)c1	ZINC000290999039	552574217	/nfs/dbraw/zinc/57/42/17/552574217.db2.gz	UULFWGOJRIGQFL-MRXNPFEDSA-N	1	1	354.435	2.127	20	30		FEEDMO
C=C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000291064818	552582701	/nfs/dbraw/zinc/58/27/01/552582701.db2.gz	RTGRAGFMJQFYAV-CABCVRRESA-N	1	1	357.376	2.126	20	30		FEEDMO
Cc1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292120143	552695683	/nfs/dbraw/zinc/69/56/83/552695683.db2.gz	HYMFROAUDQCIIK-PKOBYXMFSA-N	1	1	353.422	2.155	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292158094	552699354	/nfs/dbraw/zinc/69/93/54/552699354.db2.gz	KRSDFJQUNURNBE-KXBFYZLASA-N	1	1	360.433	2.145	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@@H](C)O1	ZINC000292552631	552737766	/nfs/dbraw/zinc/73/77/66/552737766.db2.gz	HKPWCDFAPMDQFT-MDZRGWNJSA-N	1	1	370.497	2.338	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)[N@H+]1CCCC[C@@H]1C	ZINC000501533576	561599867	/nfs/dbraw/zinc/59/98/67/561599867.db2.gz	RQQQPFMAUSHHBO-IRXDYDNUSA-N	1	1	370.501	2.048	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC[N@H+](C2CCC2)C1	ZINC000293086555	552787573	/nfs/dbraw/zinc/78/75/73/552787573.db2.gz	AOSPDFALLFTPCK-ZDUSSCGKSA-N	1	1	374.872	2.483	20	30		FEEDMO
C=CCCCS(=O)(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1	ZINC000293214467	552799725	/nfs/dbraw/zinc/79/97/25/552799725.db2.gz	ZXZSRJSYWWAYMR-MRXNPFEDSA-N	1	1	352.500	2.293	20	30		FEEDMO
C=CCCCS(=O)(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1	ZINC000293214467	552799727	/nfs/dbraw/zinc/79/97/27/552799727.db2.gz	ZXZSRJSYWWAYMR-MRXNPFEDSA-N	1	1	352.500	2.293	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CO)CC1	ZINC000293269575	552805394	/nfs/dbraw/zinc/80/53/94/552805394.db2.gz	UVSBLHMMLJOZHF-SJORKVTESA-N	1	1	359.470	2.425	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1	ZINC000293326031	552811516	/nfs/dbraw/zinc/81/15/16/552811516.db2.gz	GFPBTNNKRBCDQE-BBWFWOEESA-N	1	1	358.486	2.355	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(OC2CCCC2)c1	ZINC000293330697	552811999	/nfs/dbraw/zinc/81/19/99/552811999.db2.gz	JJMWIDTXCKYPKW-UHFFFAOYSA-N	1	1	357.454	2.018	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H](O)Cc1ccccc1	ZINC000293408984	552820533	/nfs/dbraw/zinc/82/05/33/552820533.db2.gz	RWWCFDQFAMZQBO-HXUWFJFHSA-N	1	1	351.450	2.469	20	30		FEEDMO
C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@H](O)Cc1ccccc1	ZINC000293408984	552820534	/nfs/dbraw/zinc/82/05/34/552820534.db2.gz	RWWCFDQFAMZQBO-HXUWFJFHSA-N	1	1	351.450	2.469	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000293538217	552833579	/nfs/dbraw/zinc/83/35/79/552833579.db2.gz	XOPNLDCUHIIBMT-DOTOQJQBSA-N	1	1	369.469	2.005	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)CCCc1nc(-c2ccc(OC)cc2)no1	ZINC000294017741	552875700	/nfs/dbraw/zinc/87/57/00/552875700.db2.gz	QEMJEZCMWVFMRB-UHFFFAOYSA-N	1	1	370.453	2.139	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CSCC(=O)c1ccc(Cl)cc1	ZINC000294022268	552875962	/nfs/dbraw/zinc/87/59/62/552875962.db2.gz	QOBBFKYONVPUCO-UHFFFAOYSA-N	1	1	352.887	2.327	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1	ZINC000294028216	552876524	/nfs/dbraw/zinc/87/65/24/552876524.db2.gz	RFUUEIGLUQNFEN-INIZCTEOSA-N	1	1	374.460	2.141	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)[N@H+]1CCC[C@H](C)C1	ZINC000294338689	552898249	/nfs/dbraw/zinc/89/82/49/552898249.db2.gz	JRMVCEVEORUYQX-UONOGXRCSA-N	1	1	353.463	2.237	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+](C2CC2)C1	ZINC000295797996	553060269	/nfs/dbraw/zinc/06/02/69/553060269.db2.gz	ZSVGMAZXSLZOOE-LBPRGKRZSA-N	1	1	360.845	2.093	20	30		FEEDMO
Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000295831934	553065355	/nfs/dbraw/zinc/06/53/55/553065355.db2.gz	CSAMTVUVTXJMJF-SFHVURJKSA-N	1	1	366.469	2.251	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000295938873	553078140	/nfs/dbraw/zinc/07/81/40/553078140.db2.gz	JFVSASWEHDOTCZ-INIZCTEOSA-N	1	1	374.533	2.303	20	30		FEEDMO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC[N@H+](C2CC2)C1	ZINC000296224201	553125465	/nfs/dbraw/zinc/12/54/65/553125465.db2.gz	MZQTYBRENVROCT-GFCCVEGCSA-N	1	1	360.845	2.093	20	30		FEEDMO
C#Cc1ccc(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000296554196	553178737	/nfs/dbraw/zinc/17/87/37/553178737.db2.gz	FSKBVKBSPVWWPC-OAQYLSRUSA-N	1	1	363.461	2.234	20	30		FEEDMO
C[N@@H+](CCCOc1cccc(C#N)c1)C[C@@H](O)CNC(=O)OC(C)(C)C	ZINC000296817471	553215615	/nfs/dbraw/zinc/21/56/15/553215615.db2.gz	RRVYQBYIBCILKY-INIZCTEOSA-N	1	1	363.458	2.145	20	30		FEEDMO
CC(C)OCC[NH+]1CCN(c2ncc(Br)cc2C#N)CC1	ZINC000297427098	553291112	/nfs/dbraw/zinc/29/11/12/553291112.db2.gz	HOWWMRLPSNENRI-UHFFFAOYSA-N	1	1	353.264	2.263	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](C)C[C@@H](O)c1cccc(Br)c1	ZINC000298083318	553381711	/nfs/dbraw/zinc/38/17/11/553381711.db2.gz	HQSIWXPHZSHERX-OAHLLOKOSA-N	1	1	368.275	2.176	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCN(C=O)CC3)sc2C1	ZINC000298141660	553389798	/nfs/dbraw/zinc/38/97/98/553389798.db2.gz	LPWWYSMOYWEAJH-CQSZACIVSA-N	1	1	374.510	2.237	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000298311956	553411418	/nfs/dbraw/zinc/41/14/18/553411418.db2.gz	OOQOVMNRIIGWFU-INIZCTEOSA-N	1	1	369.490	2.424	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1	ZINC000298311956	553411419	/nfs/dbraw/zinc/41/14/19/553411419.db2.gz	OOQOVMNRIIGWFU-INIZCTEOSA-N	1	1	369.490	2.424	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1	ZINC000298439211	553424879	/nfs/dbraw/zinc/42/48/79/553424879.db2.gz	RCOAUPAYESUIQF-INIZCTEOSA-N	1	1	369.490	2.424	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1	ZINC000298439211	553424880	/nfs/dbraw/zinc/42/48/80/553424880.db2.gz	RCOAUPAYESUIQF-INIZCTEOSA-N	1	1	369.490	2.424	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](OCc4ccncc4)C3)C2=O)cc1	ZINC000298448151	553425817	/nfs/dbraw/zinc/42/58/17/553425817.db2.gz	HFEMCPBSWKMCOL-PMACEKPBSA-N	1	1	362.433	2.350	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](OCc4ccncc4)C3)C2=O)cc1	ZINC000298448151	553425819	/nfs/dbraw/zinc/42/58/19/553425819.db2.gz	HFEMCPBSWKMCOL-PMACEKPBSA-N	1	1	362.433	2.350	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC2CC[NH+](Cc3ccncc3)CC2)cc1	ZINC000298838127	553479681	/nfs/dbraw/zinc/47/96/81/553479681.db2.gz	FLGKTLNWDQIBHR-UHFFFAOYSA-N	1	1	370.478	2.037	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)NCCCn1cc[nH+]c1C	ZINC000298902305	553487543	/nfs/dbraw/zinc/48/75/43/553487543.db2.gz	ABIWBCGJMMANSC-UHFFFAOYSA-N	1	1	356.426	2.437	20	30		FEEDMO
COc1ccccc1C[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000299413872	553560251	/nfs/dbraw/zinc/56/02/51/553560251.db2.gz	CLJSXQZXVXMEQH-SFHVURJKSA-N	1	1	354.454	2.358	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000299476135	553568599	/nfs/dbraw/zinc/56/85/99/553568599.db2.gz	WZFYFGCROVHACA-IEBWSBKVSA-N	1	1	368.481	2.292	20	30		FEEDMO
N#Cc1ccnc(NCc2ccc(C[NH+]3CCOCC3)cc2)c1[N+](=O)[O-]	ZINC000301649351	553668324	/nfs/dbraw/zinc/66/83/24/553668324.db2.gz	PDNMZGQBUGFPHF-UHFFFAOYSA-N	1	1	353.382	2.306	20	30		FEEDMO
C=CCn1c(=O)[nH]nc1SCCC[NH+]1CCN(c2ccccc2)CC1	ZINC000504955146	561664530	/nfs/dbraw/zinc/66/45/30/561664530.db2.gz	HPIVVSFDMPTZQV-UHFFFAOYSA-N	1	1	359.499	2.474	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(c3ccc(C)c(C#N)n3)CC2)CC1	ZINC000302674016	553725274	/nfs/dbraw/zinc/72/52/74/553725274.db2.gz	SUDOLSSTSWMDTP-UHFFFAOYSA-N	1	1	355.486	2.032	20	30		FEEDMO
C[C@@H]1CN(c2nc(N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)ccc2C#N)C[C@H](C)N1C	ZINC000302890754	553740764	/nfs/dbraw/zinc/74/07/64/553740764.db2.gz	PMCIAKQGSWFDNC-WNKDZCFJSA-N	1	1	356.518	2.011	20	30		FEEDMO
C[C@@H]1CN(c2nc(N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)ccc2C#N)C[C@H](C)N1C	ZINC000302890754	553740766	/nfs/dbraw/zinc/74/07/66/553740766.db2.gz	PMCIAKQGSWFDNC-WNKDZCFJSA-N	1	1	356.518	2.011	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2C1=O	ZINC000505568926	561674265	/nfs/dbraw/zinc/67/42/65/561674265.db2.gz	OZOGEONHXYUUHF-NRFANRHFSA-N	1	1	367.449	2.027	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N	ZINC000311879275	553755668	/nfs/dbraw/zinc/75/56/68/553755668.db2.gz	YBMGNRQLAMXYKD-GOSISDBHSA-N	1	1	370.478	2.157	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000311879275	553755670	/nfs/dbraw/zinc/75/56/70/553755670.db2.gz	YBMGNRQLAMXYKD-GOSISDBHSA-N	1	1	370.478	2.157	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1	ZINC000327624613	553789932	/nfs/dbraw/zinc/78/99/32/553789932.db2.gz	OCLYEGPCMKHZPN-GOEBONIOSA-N	1	1	358.360	2.077	20	30		FEEDMO
O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NCC1(N2CCOCC2)CC1	ZINC000328597942	553794902	/nfs/dbraw/zinc/79/49/02/553794902.db2.gz	ATSBLUQNVIZRMK-GOSISDBHSA-N	1	1	364.534	2.152	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1	ZINC000328616561	553796700	/nfs/dbraw/zinc/79/67/00/553796700.db2.gz	SQSGFYVHWUEOLV-JZXOWHBKSA-N	1	1	351.491	2.067	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C#N)cn2C)[C@@H]1c1cnn(C)c1	ZINC000328630031	553798842	/nfs/dbraw/zinc/79/88/42/553798842.db2.gz	PKDKUQLTBMTOQO-QFBILLFUSA-N	1	1	368.485	2.175	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc(C)nc32)CC[N@H+]1CCOC	ZINC000328660668	553803804	/nfs/dbraw/zinc/80/38/04/553803804.db2.gz	VSYYNTAXJKPDOT-IAGOWNOFSA-N	1	1	363.506	2.026	20	30		FEEDMO
Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1	ZINC000328682356	553806836	/nfs/dbraw/zinc/80/68/36/553806836.db2.gz	CYSNBQCVBATFCH-OAGGEKHMSA-N	1	1	352.442	2.166	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)CCc2ccc3c(c2)OCCO3)CC1(C)C	ZINC000328697449	553808689	/nfs/dbraw/zinc/80/86/89/553808689.db2.gz	HECMFKRKAZCXJB-UHFFFAOYSA-N	1	1	361.486	2.373	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)CCN2c3ccccc3CCC2=O)CC1(C)C	ZINC000328735716	553814638	/nfs/dbraw/zinc/81/46/38/553814638.db2.gz	ZEXHQMFIMMNXSM-UHFFFAOYSA-N	1	1	372.513	2.338	20	30		FEEDMO
C[C@H](NC(=O)C[N@H+]1CC[C@@H](C2CCOCC2)C1)C(=O)N1CCCCC1	ZINC000328750435	553816625	/nfs/dbraw/zinc/81/66/25/553816625.db2.gz	BZEFVHZDNRUGBA-DOTOQJQBSA-N	1	1	351.491	2.092	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O)Nc1nc2c(s1)CCC2	ZINC000328835699	553830285	/nfs/dbraw/zinc/83/02/85/553830285.db2.gz	SJJHTLLDIKOBCE-MRVWCRGKSA-N	1	1	351.472	2.082	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O)Nc1nc2c(s1)CCC2	ZINC000328835699	553830287	/nfs/dbraw/zinc/83/02/87/553830287.db2.gz	SJJHTLLDIKOBCE-MRVWCRGKSA-N	1	1	351.472	2.082	20	30		FEEDMO
O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](CCN2CCOCC2)C1	ZINC000328855990	553833714	/nfs/dbraw/zinc/83/37/14/553833714.db2.gz	XDLXTSKFETVIDC-AWEZNQCLSA-N	1	1	352.866	2.367	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000328861586	553834338	/nfs/dbraw/zinc/83/43/38/553834338.db2.gz	VLWQUURZMCYJOQ-DZGCQCFKSA-N	1	1	361.442	2.235	20	30		FEEDMO
CCOc1ccc(-n2ncc(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)c2C)nn1	ZINC000328908803	553843206	/nfs/dbraw/zinc/84/32/06/553843206.db2.gz	DFIALLMZDFZIIH-CVEARBPZSA-N	1	1	370.457	2.301	20	30		FEEDMO
Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000328951526	553851418	/nfs/dbraw/zinc/85/14/18/553851418.db2.gz	LRLZFBYRUPETKF-UXLLHSPISA-N	1	1	373.501	2.489	20	30		FEEDMO
Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000328951526	553851422	/nfs/dbraw/zinc/85/14/22/553851422.db2.gz	LRLZFBYRUPETKF-UXLLHSPISA-N	1	1	373.501	2.489	20	30		FEEDMO
Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000328951548	553851534	/nfs/dbraw/zinc/85/15/34/553851534.db2.gz	LRLZFBYRUPETKF-ZOBUZTSGSA-N	1	1	373.501	2.489	20	30		FEEDMO
Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000328951548	553851535	/nfs/dbraw/zinc/85/15/35/553851535.db2.gz	LRLZFBYRUPETKF-ZOBUZTSGSA-N	1	1	373.501	2.489	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C	ZINC000505930584	561685579	/nfs/dbraw/zinc/68/55/79/561685579.db2.gz	PSSBKGAMPCNLKM-VCBZYWHSSA-N	1	1	351.491	2.485	20	30		FEEDMO
CC(C)CCNC(=O)C1CCN(C(=O)C[NH+]2CCC(C)(C#N)CC2)CC1	ZINC000506035613	561687981	/nfs/dbraw/zinc/68/79/81/561687981.db2.gz	HVJSDIPMBMKDGA-UHFFFAOYSA-N	1	1	362.518	2.013	20	30		FEEDMO
C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+]1CCC(C)(C#N)CC1	ZINC000506046746	561688422	/nfs/dbraw/zinc/68/84/22/561688422.db2.gz	BSXADOZQQAWMHH-OAHLLOKOSA-N	1	1	357.454	2.131	20	30		FEEDMO
CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000329033856	553868559	/nfs/dbraw/zinc/86/85/59/553868559.db2.gz	MEGZVTRBWHJFBN-HPFXQQBRSA-N	1	1	361.490	2.424	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O	ZINC000329112903	553882640	/nfs/dbraw/zinc/88/26/40/553882640.db2.gz	HGUTXWQUFCGFIY-AJYBTWMASA-N	1	1	367.534	2.417	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)C1	ZINC000329180581	553896853	/nfs/dbraw/zinc/89/68/53/553896853.db2.gz	OHUVAOJZNRWHLA-CABCVRRESA-N	1	1	371.547	2.247	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)NC2(CCCCC2)C1=O	ZINC000329186015	553897835	/nfs/dbraw/zinc/89/78/35/553897835.db2.gz	GIQJZWGEJKKISZ-AWEZNQCLSA-N	1	1	350.463	2.276	20	30		FEEDMO
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000329194883	553899821	/nfs/dbraw/zinc/89/98/21/553899821.db2.gz	UYNKMFOCVGZBLA-GDBMZVCRSA-N	1	1	357.520	2.164	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@@H]1C	ZINC000329221447	553905321	/nfs/dbraw/zinc/90/53/21/553905321.db2.gz	UURRANMYMQSGTD-ZOBUZTSGSA-N	1	1	358.461	2.465	20	30		FEEDMO
C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000329226380	553906683	/nfs/dbraw/zinc/90/66/83/553906683.db2.gz	AJXOWFGPIGIRNC-BHYGNILZSA-N	1	1	350.484	2.288	20	30		FEEDMO
O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCOC[C@@H]1[C@H]1CCCO1	ZINC000329271734	553914934	/nfs/dbraw/zinc/91/49/34/553914934.db2.gz	JKUJEGLDTCGWMO-VAMGGRTRSA-N	1	1	373.497	2.445	20	30		FEEDMO
C[C@H](NC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000329280832	553916469	/nfs/dbraw/zinc/91/64/69/553916469.db2.gz	DUFHNDMOGAGOPZ-MMQDRESBSA-N	1	1	355.548	2.395	20	30		FEEDMO
C[C@@H]1C[C@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC(=O)N1	ZINC000329353070	553930563	/nfs/dbraw/zinc/93/05/63/553930563.db2.gz	UUQSHQWTQINEDB-WBVHZDCISA-N	1	1	372.469	2.042	20	30		FEEDMO
O=C(C[N@@H+]1CCOCC2(CC2)C1)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000329361978	553932786	/nfs/dbraw/zinc/93/27/86/553932786.db2.gz	CQOPVNTUSZXXAA-UHFFFAOYSA-N	1	1	371.481	2.492	20	30		FEEDMO
O=C(C[N@H+]1CCOCC2(CC2)C1)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000329361978	553932788	/nfs/dbraw/zinc/93/27/88/553932788.db2.gz	CQOPVNTUSZXXAA-UHFFFAOYSA-N	1	1	371.481	2.492	20	30		FEEDMO
C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@H]1Cc1ccccc1	ZINC000329384752	553935928	/nfs/dbraw/zinc/93/59/28/553935928.db2.gz	POCUZMIBLKGXRB-SFHLNBCPSA-N	1	1	373.497	2.097	20	30		FEEDMO
C[N@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@H]1Cc1ccccc1	ZINC000329384752	553935931	/nfs/dbraw/zinc/93/59/31/553935931.db2.gz	POCUZMIBLKGXRB-SFHLNBCPSA-N	1	1	373.497	2.097	20	30		FEEDMO
C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)N1CCCC[C@H]1C	ZINC000329409993	553941226	/nfs/dbraw/zinc/94/12/26/553941226.db2.gz	AGRNZLLNWRKKKI-VPEURPPWSA-N	1	1	350.507	2.247	20	30		FEEDMO
CO[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)[C@H](C)C1	ZINC000329456148	553950235	/nfs/dbraw/zinc/95/02/35/553950235.db2.gz	MVDVOOCNXJCSMG-KYHPRHEASA-N	1	1	363.506	2.216	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)[C@@H]2C1	ZINC000329459247	553950710	/nfs/dbraw/zinc/95/07/10/553950710.db2.gz	ROXSFRLKIWOYTL-RHSMWYFYSA-N	1	1	368.437	2.199	20	30		FEEDMO
COCCn1cc2c(n1)[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)CCC2	ZINC000329582623	553971912	/nfs/dbraw/zinc/97/19/12/553971912.db2.gz	QILXMJWILSJRPM-DJIMGWMZSA-N	1	1	363.506	2.093	20	30		FEEDMO
C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCS(=O)(=O)C2(CCCCC2)C1	ZINC000329644878	553981593	/nfs/dbraw/zinc/98/15/93/553981593.db2.gz	ZIPBWHVVAZIZER-INIZCTEOSA-N	1	1	371.547	2.208	20	30		FEEDMO
C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2C[C@]23CCOC3)CC1	ZINC000329684688	553988112	/nfs/dbraw/zinc/98/81/12/553988112.db2.gz	YFIMAFMFSCETQR-UZLBHIALSA-N	1	1	357.454	2.479	20	30		FEEDMO
C[C@H](NC(=O)NC[C@@H]1CCCCS1(=O)=O)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000329693100	553990196	/nfs/dbraw/zinc/99/01/96/553990196.db2.gz	AVSOWRKBDLAFJP-UXLLHSPISA-N	1	1	371.547	2.110	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C[C@H](C)NC(=O)C2CCCC2)C[C@@H]1[NH+]1CCOCC1	ZINC000329697032	553991433	/nfs/dbraw/zinc/99/14/33/553991433.db2.gz	CCZXDIOKLUXLNI-JZXOWHBKSA-N	1	1	365.518	2.481	20	30		FEEDMO
COC1CCC(CCNC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CC1	ZINC000329724486	553995999	/nfs/dbraw/zinc/99/59/99/553995999.db2.gz	BPBPQYQWRRBJPA-BFWZDYSYSA-N	1	1	353.507	2.148	20	30		FEEDMO
CC[C@@H]1CN(C(=O)[C@H](C)NC(=O)C2CCCC2)C[C@@H]1[NH+]1CCOCC1	ZINC000329744362	553998374	/nfs/dbraw/zinc/99/83/74/553998374.db2.gz	QQNWBZRLEZWJRO-UXLLHSPISA-N	1	1	351.491	2.091	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@@H]2[C@H](C1)C2(C)C	ZINC000329770959	554003052	/nfs/dbraw/zinc/00/30/52/554003052.db2.gz	JGMYGDNBYOGFFF-ZACQAIPSSA-N	1	1	357.502	2.094	20	30		FEEDMO
C[C@@H]1CN(C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H](C)O1	ZINC000329778132	554004123	/nfs/dbraw/zinc/00/41/23/554004123.db2.gz	PTFTVKOQKZYWHZ-NUIAMIPMSA-N	1	1	366.550	2.393	20	30		FEEDMO
O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N[C@H]1CCCS(=O)(=O)C1	ZINC000329786074	554005230	/nfs/dbraw/zinc/00/52/30/554005230.db2.gz	QKAAGZGWMJRDRA-IRXDYDNUSA-N	1	1	371.547	2.112	20	30		FEEDMO
Cc1nc(C)c(CNC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)s1	ZINC000329786404	554005447	/nfs/dbraw/zinc/00/54/47/554005447.db2.gz	XWGPRPZOJGDJSV-UHFFFAOYSA-N	1	1	353.536	2.132	20	30		FEEDMO
Cc1nc(C)c(CNC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)s1	ZINC000329786404	554005450	/nfs/dbraw/zinc/00/54/50/554005450.db2.gz	XWGPRPZOJGDJSV-UHFFFAOYSA-N	1	1	353.536	2.132	20	30		FEEDMO
Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCC[N@H+](C)CC2)cnn1	ZINC000329877977	554023631	/nfs/dbraw/zinc/02/36/31/554023631.db2.gz	KAQVOCMEBDYTSV-UHFFFAOYSA-N	1	1	353.426	2.199	20	30		FEEDMO
C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)CCO1	ZINC000329896526	554026824	/nfs/dbraw/zinc/02/68/24/554026824.db2.gz	COGIYPAFXOFOHG-KBXIAJHMSA-N	1	1	365.453	2.231	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1	ZINC000330146948	554073676	/nfs/dbraw/zinc/07/36/76/554073676.db2.gz	TUPORCMLFGFGOO-STQMWFEESA-N	1	1	357.414	2.432	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](c2nnc[nH]2)C1	ZINC000330146948	554073680	/nfs/dbraw/zinc/07/36/80/554073680.db2.gz	TUPORCMLFGFGOO-STQMWFEESA-N	1	1	357.414	2.432	20	30		FEEDMO
CO[C@H]1C[C@H](C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)N(C(C)=O)C1	ZINC000330155071	554074894	/nfs/dbraw/zinc/07/48/94/554074894.db2.gz	YBSMYWJLTHSONI-HUHSQHJXSA-N	1	1	351.491	2.232	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1C#N	ZINC000330200764	554083452	/nfs/dbraw/zinc/08/34/52/554083452.db2.gz	WXEZIQAILMRYCS-JKIFEVAISA-N	1	1	362.499	2.288	20	30		FEEDMO
CC(C)CN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H](C)C1=O	ZINC000330202065	554084406	/nfs/dbraw/zinc/08/44/06/554084406.db2.gz	YVGMVVSDYOKLDP-MGNMYUMUSA-N	1	1	350.507	2.104	20	30		FEEDMO
O=C(NCc1cccc(N2CCCS2(=O)=O)c1)[C@@H]1CCC[N@H+]1C1CC1	ZINC000330215404	554086667	/nfs/dbraw/zinc/08/66/67/554086667.db2.gz	GZWIVLGZHWDTGQ-KRWDZBQOSA-N	1	1	363.483	2.310	20	30		FEEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H]1CCOC2(CCOCC2)C1	ZINC000330217570	554087676	/nfs/dbraw/zinc/08/76/76/554087676.db2.gz	IOTSTAJGTAHOGY-IRXDYDNUSA-N	1	1	353.507	2.435	20	30		FEEDMO
CC(C)[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CCO1	ZINC000330228385	554089190	/nfs/dbraw/zinc/08/91/90/554089190.db2.gz	PQBAPOUSGJWXQS-NUJGCVRESA-N	1	1	353.507	2.289	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CCCC3)C2)C[C@@H]1[NH+]1CCOCC1	ZINC000330238426	554090889	/nfs/dbraw/zinc/09/08/89/554090889.db2.gz	VDXCPYHCFOADIC-KURKYZTESA-N	1	1	365.518	2.435	20	30		FEEDMO
Cc1cccc(-c2nnc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2C)n1	ZINC000507870011	561744067	/nfs/dbraw/zinc/74/40/67/561744067.db2.gz	IRVVSDLSDVBFIY-UHFFFAOYSA-N	1	1	373.464	2.379	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1	ZINC000330416916	554118708	/nfs/dbraw/zinc/11/87/08/554118708.db2.gz	OEGMBJVLFQRWND-MRXNPFEDSA-N	1	1	364.515	2.062	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1	ZINC000330416916	554118711	/nfs/dbraw/zinc/11/87/11/554118711.db2.gz	OEGMBJVLFQRWND-MRXNPFEDSA-N	1	1	364.515	2.062	20	30		FEEDMO
CC[N@@H+](CCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)C(C)C	ZINC000330439869	554121977	/nfs/dbraw/zinc/12/19/77/554121977.db2.gz	OISSQRIBWXRPCR-CQSZACIVSA-N	1	1	367.515	2.432	20	30		FEEDMO
CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000330448034	554122655	/nfs/dbraw/zinc/12/26/55/554122655.db2.gz	GHVXWSBFUUWBIS-UHFFFAOYSA-N	1	1	356.810	2.182	20	30		FEEDMO
CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1	ZINC000330518142	554132455	/nfs/dbraw/zinc/13/24/55/554132455.db2.gz	GRZOLHMIJTWUPF-GJZGRUSLSA-N	1	1	362.474	2.276	20	30		FEEDMO
C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1	ZINC000330541249	554135346	/nfs/dbraw/zinc/13/53/46/554135346.db2.gz	SKCGLNYPJSJBGL-MAUKXSAKSA-N	1	1	359.470	2.203	20	30		FEEDMO
COc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1OC(C)C	ZINC000330580426	554140955	/nfs/dbraw/zinc/14/09/55/554140955.db2.gz	TYBBGODZWAGODW-GJZGRUSLSA-N	1	1	365.474	2.415	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)[C@H](C)C1	ZINC000330588413	554142112	/nfs/dbraw/zinc/14/21/12/554142112.db2.gz	YUWLLHFCSIUFLW-DYVFJYSZSA-N	1	1	353.463	2.189	20	30		FEEDMO
CC(C)CNC(=O)NC(=O)CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000330771452	554169560	/nfs/dbraw/zinc/16/95/60/554169560.db2.gz	CDTXONORBBLSCU-SJORKVTESA-N	1	1	352.523	2.259	20	30		FEEDMO
C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000330963882	554194687	/nfs/dbraw/zinc/19/46/87/554194687.db2.gz	BUAUHGFFLYHXLD-LUKYLMHMSA-N	1	1	355.523	2.271	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cnc(C)c(C#N)c1	ZINC000331135307	554219460	/nfs/dbraw/zinc/21/94/60/554219460.db2.gz	KICBKLWYNRURCB-INIZCTEOSA-N	1	1	350.488	2.195	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCc1cc(F)c(F)c(F)c1	ZINC000331220096	554232909	/nfs/dbraw/zinc/23/29/09/554232909.db2.gz	IYDSHAIGQUNOCL-GFCCVEGCSA-N	1	1	373.419	2.337	20	30		FEEDMO
CC(C)c1nn(C)cc1NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000331245448	554236023	/nfs/dbraw/zinc/23/60/23/554236023.db2.gz	PENYFQOVADJFQY-MRXNPFEDSA-N	1	1	350.511	2.141	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)Nc2ccc(C(N)=O)cc2F)CC1(C)C	ZINC000331264012	554238703	/nfs/dbraw/zinc/23/87/03/554238703.db2.gz	GEWGABYWKXTNRG-UHFFFAOYSA-N	1	1	351.426	2.061	20	30		FEEDMO
Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)o1	ZINC000332040345	554368628	/nfs/dbraw/zinc/36/86/28/554368628.db2.gz	UMPFXGFQNHBCAJ-ROUUACIJSA-N	1	1	358.486	2.417	20	30		FEEDMO
Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)o1	ZINC000332040345	554368630	/nfs/dbraw/zinc/36/86/30/554368630.db2.gz	UMPFXGFQNHBCAJ-ROUUACIJSA-N	1	1	358.486	2.417	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000332222222	554403798	/nfs/dbraw/zinc/40/37/98/554403798.db2.gz	AULPOQYXRLCEMT-UONOGXRCSA-N	1	1	373.400	2.482	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cc1F	ZINC000332380696	554435250	/nfs/dbraw/zinc/43/52/50/554435250.db2.gz	GPGXUPNFYXAGOZ-UHFFFAOYSA-N	1	1	351.447	2.336	20	30		FEEDMO
CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000510084364	561824288	/nfs/dbraw/zinc/82/42/88/561824288.db2.gz	IUNQCBDGKWSYQG-IYBDPMFKSA-N	1	1	354.372	2.282	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)[nH]1	ZINC000610564462	554530225	/nfs/dbraw/zinc/53/02/25/554530225.db2.gz	ONFRRWXRCJIQFJ-QGZVFWFLSA-N	1	1	352.442	2.468	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)[nH]1	ZINC000610564462	554530227	/nfs/dbraw/zinc/53/02/27/554530227.db2.gz	ONFRRWXRCJIQFJ-QGZVFWFLSA-N	1	1	352.442	2.468	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C3CC3)C2)c(F)c1	ZINC000333000362	554556703	/nfs/dbraw/zinc/55/67/03/554556703.db2.gz	JFJYYZDPMAOHKT-BEFAXECRSA-N	1	1	356.445	2.409	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]21	ZINC000333060898	554566212	/nfs/dbraw/zinc/56/62/12/554566212.db2.gz	IHTRFGPQQAFDNA-CJNGLKHVSA-N	1	1	358.511	2.463	20	30		FEEDMO
CN1CC[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]21	ZINC000333060898	554566213	/nfs/dbraw/zinc/56/62/13/554566213.db2.gz	IHTRFGPQQAFDNA-CJNGLKHVSA-N	1	1	358.511	2.463	20	30		FEEDMO
CN1CC[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]21	ZINC000333060898	554566215	/nfs/dbraw/zinc/56/62/15/554566215.db2.gz	IHTRFGPQQAFDNA-CJNGLKHVSA-N	1	1	358.511	2.463	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000333287758	554599035	/nfs/dbraw/zinc/59/90/35/554599035.db2.gz	QVLLYFLNSATHPG-CVEARBPZSA-N	1	1	372.494	2.059	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O	ZINC000333287758	554599036	/nfs/dbraw/zinc/59/90/36/554599036.db2.gz	QVLLYFLNSATHPG-CVEARBPZSA-N	1	1	372.494	2.059	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1	ZINC000334017556	554668524	/nfs/dbraw/zinc/66/85/24/554668524.db2.gz	BTYZOEJUPOUKTC-IAGOWNOFSA-N	1	1	360.502	2.194	20	30		FEEDMO
Cn1c(C#N)ccc1-c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1	ZINC000351113964	554837507	/nfs/dbraw/zinc/83/75/07/554837507.db2.gz	MVUMGLBSQHJQCB-UHFFFAOYSA-N	1	1	363.425	2.151	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1	ZINC000360187113	554866646	/nfs/dbraw/zinc/86/66/46/554866646.db2.gz	JNXRSPYIFCZJDD-MGPUTAFESA-N	1	1	368.481	2.442	20	30		FEEDMO
C=CCOCCNC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1	ZINC000360641793	554882981	/nfs/dbraw/zinc/88/29/81/554882981.db2.gz	LMEURGYAWGMRFH-UHFFFAOYSA-N	1	1	353.413	2.431	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+]1CCCN(C(=O)c2ccoc2)CC1	ZINC000361170357	554907827	/nfs/dbraw/zinc/90/78/27/554907827.db2.gz	POCBUTLMAJVQIC-UHFFFAOYSA-N	1	1	369.421	2.387	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCCN(C(=O)c2ccoc2)CC1	ZINC000361170357	554907828	/nfs/dbraw/zinc/90/78/28/554907828.db2.gz	POCBUTLMAJVQIC-UHFFFAOYSA-N	1	1	369.421	2.387	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000363034004	555015084	/nfs/dbraw/zinc/01/50/84/555015084.db2.gz	GGFODHBANCOCQR-LSDHHAIUSA-N	1	1	372.494	2.374	20	30		FEEDMO
COC(=O)c1cc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)oc1C	ZINC000363095947	555029683	/nfs/dbraw/zinc/02/96/83/555029683.db2.gz	DWDKHDFQTVZTKG-UHFFFAOYSA-N	1	1	354.410	2.354	20	30		FEEDMO
COC(=O)c1cc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)oc1C	ZINC000363095947	555029684	/nfs/dbraw/zinc/02/96/84/555029684.db2.gz	DWDKHDFQTVZTKG-UHFFFAOYSA-N	1	1	354.410	2.354	20	30		FEEDMO
C=CCN(C(=O)C(=O)c1cnn(CC)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363162336	555043479	/nfs/dbraw/zinc/04/34/79/555043479.db2.gz	IVHJDNWILJUMEO-IBGZPJMESA-N	1	1	366.465	2.375	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)C2)n1	ZINC000363170256	555044935	/nfs/dbraw/zinc/04/49/35/555044935.db2.gz	FHGLPDIASIVVLW-NEWSRXKRSA-N	1	1	369.513	2.419	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CCC[N@H+](C2CCCC2)CC1	ZINC000363238759	555061316	/nfs/dbraw/zinc/06/13/16/555061316.db2.gz	JILMCAPWLZOAMV-UHFFFAOYSA-N	1	1	357.454	2.423	20	30		FEEDMO
C=CCOc1ccccc1C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1	ZINC000363382743	555091014	/nfs/dbraw/zinc/09/10/14/555091014.db2.gz	ZUMXHEPVDTVCCN-GOSISDBHSA-N	1	1	357.498	2.351	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)c1ccccc1	ZINC000363527848	555128799	/nfs/dbraw/zinc/12/87/99/555128799.db2.gz	XVMOUCPQWOROJU-IBGZPJMESA-N	1	1	368.481	2.410	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O)c1ccccc1	ZINC000363527848	555128800	/nfs/dbraw/zinc/12/88/00/555128800.db2.gz	XVMOUCPQWOROJU-IBGZPJMESA-N	1	1	368.481	2.410	20	30		FEEDMO
C=C(C)C[N@@H+](CCc1nnnn1-c1ccccc1)Cc1ccc(CO)o1	ZINC000512151861	561893996	/nfs/dbraw/zinc/89/39/96/561893996.db2.gz	IALLMWKTOBHARJ-UHFFFAOYSA-N	1	1	353.426	2.368	20	30		FEEDMO
N#Cc1cc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)ccc1N1CCC(O)CC1	ZINC000364090485	555247654	/nfs/dbraw/zinc/24/76/54/555247654.db2.gz	NIKYQEYHOJGAOZ-WMZOPIPTSA-N	1	1	368.481	2.332	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1	ZINC000512320262	561900314	/nfs/dbraw/zinc/90/03/14/561900314.db2.gz	BJRZAZGUOFSSBM-MRXNPFEDSA-N	1	1	372.488	2.119	20	30		FEEDMO
C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000364681502	555372989	/nfs/dbraw/zinc/37/29/89/555372989.db2.gz	IKBGSYRLHVFWIB-TXPKVOOTSA-N	1	1	359.518	2.021	20	30		FEEDMO
C=C(C)C[N@@H+](CCn1nc2ccccn2c1=O)Cc1cnn(C(C)C)c1	ZINC000512532642	561908605	/nfs/dbraw/zinc/90/86/05/561908605.db2.gz	SVDRAQODRXFJTM-UHFFFAOYSA-N	1	1	354.458	2.352	20	30		FEEDMO
C=C(C)C[N@H+](CCn1nc2ccccn2c1=O)Cc1cnn(C(C)C)c1	ZINC000512532642	561908607	/nfs/dbraw/zinc/90/86/07/561908607.db2.gz	SVDRAQODRXFJTM-UHFFFAOYSA-N	1	1	354.458	2.352	20	30		FEEDMO
C=CCN(C(=O)NCCC(=O)NC(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364919550	555437303	/nfs/dbraw/zinc/43/73/03/555437303.db2.gz	RYQFAWWTUXUOLW-IBGZPJMESA-N	1	1	372.513	2.373	20	30		FEEDMO
C=CC[C@]1(C(=O)NC[C@H]2CC[N@H+](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000364930536	555440845	/nfs/dbraw/zinc/44/08/45/555440845.db2.gz	NUCGEMXKPXZKDD-DNVCBOLYSA-N	1	1	351.491	2.400	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[NH+]3CCC2CC3)c(C(F)(F)F)c1	ZINC000364990017	555458351	/nfs/dbraw/zinc/45/83/51/555458351.db2.gz	GZYRXEFSJOXQTL-UHFFFAOYSA-N	1	1	359.373	2.046	20	30		FEEDMO
N#CCC[C@H](C#N)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1	ZINC000365181150	555503455	/nfs/dbraw/zinc/50/34/55/555503455.db2.gz	UZLVNHLSDCZUQV-SPYBWZPUSA-N	1	1	363.425	2.324	20	30		FEEDMO
N#CCC[C@H](C#N)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1	ZINC000365181150	555503458	/nfs/dbraw/zinc/50/34/58/555503458.db2.gz	UZLVNHLSDCZUQV-SPYBWZPUSA-N	1	1	363.425	2.324	20	30		FEEDMO
C=CCN(C(=O)[C@H]1CCCN1C(C)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000365258462	555525062	/nfs/dbraw/zinc/52/50/62/555525062.db2.gz	OSSHSCVPLAQSBK-VQTJNVASSA-N	1	1	355.482	2.286	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1C#N	ZINC000365394387	555563022	/nfs/dbraw/zinc/56/30/22/555563022.db2.gz	LGFHZCRSRIOJBQ-ZOCIIQOWSA-N	1	1	354.454	2.361	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1C#N	ZINC000365394387	555563024	/nfs/dbraw/zinc/56/30/24/555563024.db2.gz	LGFHZCRSRIOJBQ-ZOCIIQOWSA-N	1	1	354.454	2.361	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1C#N	ZINC000365394386	555563297	/nfs/dbraw/zinc/56/32/97/555563297.db2.gz	LGFHZCRSRIOJBQ-NIKGAXFTSA-N	1	1	354.454	2.361	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1C#N	ZINC000365394386	555563300	/nfs/dbraw/zinc/56/33/00/555563300.db2.gz	LGFHZCRSRIOJBQ-NIKGAXFTSA-N	1	1	354.454	2.361	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)C2)n1	ZINC000365768518	555663408	/nfs/dbraw/zinc/66/34/08/555663408.db2.gz	HAMFLEXAHIAGHJ-QZTJIDSGSA-N	1	1	355.486	2.031	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3[C@@H]4CCCC[C@@H]4C[C@H]3C(N)=O)C2=O)cc1	ZINC000366090820	555748657	/nfs/dbraw/zinc/74/86/57/555748657.db2.gz	ZBGMEGCSUNKIBD-YSHGAJCASA-N	1	1	366.465	2.172	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)n1	ZINC000366114757	555756215	/nfs/dbraw/zinc/75/62/15/555756215.db2.gz	DEFOXVXFXXHWQA-LJQANCHMSA-N	1	1	351.454	2.235	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)n1	ZINC000366114757	555756217	/nfs/dbraw/zinc/75/62/17/555756217.db2.gz	DEFOXVXFXXHWQA-LJQANCHMSA-N	1	1	351.454	2.235	20	30		FEEDMO
Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c1C	ZINC000366341100	555816154	/nfs/dbraw/zinc/81/61/54/555816154.db2.gz	RTPOOCRGERWANG-HNNXBMFYSA-N	1	1	352.442	2.431	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C	ZINC000366704880	555913717	/nfs/dbraw/zinc/91/37/17/555913717.db2.gz	SZFUNABAOMUMMS-VHPHOLNESA-N	1	1	365.518	2.156	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C	ZINC000366704878	555913747	/nfs/dbraw/zinc/91/37/47/555913747.db2.gz	SZFUNABAOMUMMS-NNIGNNQHSA-N	1	1	365.518	2.156	20	30		FEEDMO
C(#CC[NH+]1CCC([C@@H]2CCOC2)CC1)CN1CCC([C@@H]2CCOC2)CC1	ZINC000367464825	556057487	/nfs/dbraw/zinc/05/74/87/556057487.db2.gz	VUVYMBITEYHDHD-FGZHOGPDSA-N	1	1	360.542	2.487	20	30		FEEDMO
C(#CC[NH+]1CCC([C@H]2CCOC2)CC1)CN1CCC([C@@H]2CCOC2)CC1	ZINC000367464826	556057500	/nfs/dbraw/zinc/05/75/00/556057500.db2.gz	VUVYMBITEYHDHD-SZPZYZBQSA-N	1	1	360.542	2.487	20	30		FEEDMO
C(#CC[NH+]1CCC([C@@H]2CCOC2)CC1)CN1CCC([C@H]2CCOC2)CC1	ZINC000367464826	556057501	/nfs/dbraw/zinc/05/75/01/556057501.db2.gz	VUVYMBITEYHDHD-SZPZYZBQSA-N	1	1	360.542	2.487	20	30		FEEDMO
C#CC[C@]1(C(=O)N[C@H]2CCc3nc[nH]c3C2)CCCN1C(=O)OC(C)(C)C	ZINC000367723675	556123370	/nfs/dbraw/zinc/12/33/70/556123370.db2.gz	CSDHAKWZYNPAAL-VBKZILBWSA-N	1	1	372.469	2.176	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1C#N	ZINC000368330267	556280114	/nfs/dbraw/zinc/28/01/14/556280114.db2.gz	DTWYPTBQUFXWKZ-BWTSREIZSA-N	1	1	364.449	2.074	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1C#N	ZINC000368330267	556280117	/nfs/dbraw/zinc/28/01/17/556280117.db2.gz	DTWYPTBQUFXWKZ-BWTSREIZSA-N	1	1	364.449	2.074	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H]2CCN([C@H]3CCCc4ccccc43)C2=O)CC1	ZINC000368499821	556327399	/nfs/dbraw/zinc/32/73/99/556327399.db2.gz	SVGGGFUPJMMQNZ-LEWJYISDSA-N	1	1	351.494	2.306	20	30		FEEDMO
Cc1cc(=NC(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)[nH]n1CCC#N	ZINC000368592905	556356496	/nfs/dbraw/zinc/35/64/96/556356496.db2.gz	RHDDXTMJXTWDJL-INIZCTEOSA-N	1	1	358.490	3.024	20	30		FEEDMO
C=CCc1ccc(OCC(=O)N=c2ccn(CC[NH+](C)C)[nH]2)c(OC)c1	ZINC000623175874	556367859	/nfs/dbraw/zinc/36/78/59/556367859.db2.gz	UOXSMMQHQSHXDL-UHFFFAOYSA-N	1	1	358.442	2.199	20	30		FEEDMO
C=CCN(C(=O)N[C@@H](C)c1nncn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000368924141	556449926	/nfs/dbraw/zinc/44/99/26/556449926.db2.gz	HWWFTGKTLBSHQQ-FUHWJXTLSA-N	1	1	368.485	2.348	20	30		FEEDMO
Cn1cc([C@@H]2[C@H](CNC(=O)NCc3ccc(C#N)cc3)CCC[N@H+]2C)cn1	ZINC000369427837	556598285	/nfs/dbraw/zinc/59/82/85/556598285.db2.gz	RXBOZHAZKFYVOH-HKUYNNGSSA-N	1	1	366.469	2.174	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	ZINC000369870841	556717733	/nfs/dbraw/zinc/71/77/33/556717733.db2.gz	GXAPKFCJZNUJJU-RTBURBONSA-N	1	1	358.486	2.436	20	30		FEEDMO
CC[C@H](CC#N)NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](CC)C3)c1C	ZINC000370380984	556855999	/nfs/dbraw/zinc/85/59/99/556855999.db2.gz	LDDXBUSHGDEYSP-MRXNPFEDSA-N	1	1	366.469	2.376	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c2cccs2)CC1	ZINC000516967480	562068316	/nfs/dbraw/zinc/06/83/16/562068316.db2.gz	ZQFSQWVJDOMNIR-XHSDSOJGSA-N	1	1	361.515	2.028	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCN1C1CC1	ZINC000370965919	557029989	/nfs/dbraw/zinc/02/99/89/557029989.db2.gz	BKLRCDMPWJKQOO-AZUAARDMSA-N	1	1	352.482	2.097	20	30		FEEDMO
C[C@@H](C(=O)N1CCCN(c2ccc(C#N)cc2)CC1)[NH+]1CCSCC1	ZINC000371015918	557045722	/nfs/dbraw/zinc/04/57/22/557045722.db2.gz	CBYSYQPUNUBMFN-INIZCTEOSA-N	1	1	358.511	2.034	20	30		FEEDMO
N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1	ZINC000371018527	557047582	/nfs/dbraw/zinc/04/75/82/557047582.db2.gz	NQMSQSFCIWNCST-KRWDZBQOSA-N	1	1	370.478	2.144	20	30		FEEDMO
N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1	ZINC000371018527	557047585	/nfs/dbraw/zinc/04/75/85/557047585.db2.gz	NQMSQSFCIWNCST-KRWDZBQOSA-N	1	1	370.478	2.144	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1	ZINC000371052347	557059086	/nfs/dbraw/zinc/05/90/86/557059086.db2.gz	IAOABCSXRWBCQL-IPMKNSEASA-N	1	1	356.470	2.188	20	30		FEEDMO
Cc1ccccc1C[N@H+]1CCCN(C(=O)N=c2ccn(CCC#N)[nH]2)CC1	ZINC000371795648	557296144	/nfs/dbraw/zinc/29/61/44/557296144.db2.gz	IIOPQIVGKZRWAF-UHFFFAOYSA-N	1	1	366.469	2.845	20	30		FEEDMO
CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000372038850	557363781	/nfs/dbraw/zinc/36/37/81/557363781.db2.gz	XDYLKDDKEKGKRY-UHFFFAOYSA-N	1	1	362.433	2.191	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@H]2CCSC2)CC1	ZINC000372065717	557370640	/nfs/dbraw/zinc/37/06/40/557370640.db2.gz	SMURLDHLWNLXLU-INIZCTEOSA-N	1	1	359.495	2.365	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1	ZINC000372065721	557370682	/nfs/dbraw/zinc/37/06/82/557370682.db2.gz	SMURLDHLWNLXLU-MRXNPFEDSA-N	1	1	359.495	2.365	20	30		FEEDMO
C=CCCCCNC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1	ZINC000372140775	557390211	/nfs/dbraw/zinc/39/02/11/557390211.db2.gz	RTJHHOKKBPAMAK-UHFFFAOYSA-N	1	1	364.534	2.319	20	30		FEEDMO
C[C@H](C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000372218847	557412723	/nfs/dbraw/zinc/41/27/23/557412723.db2.gz	QPVWZFXHPWMGEK-WUUQAYSMSA-N	1	1	366.465	2.120	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1	ZINC000372434788	557469905	/nfs/dbraw/zinc/46/99/05/557469905.db2.gz	FJILUYCZEUTCRP-APWZRJJASA-N	1	1	357.454	2.191	20	30		FEEDMO
CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000372538222	557497002	/nfs/dbraw/zinc/49/70/02/557497002.db2.gz	PGLGYJVYMQMUSZ-UHFFFAOYSA-N	1	1	371.485	2.116	20	30		FEEDMO
CN(C)C(=O)C[N@H+]1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000372538222	557497005	/nfs/dbraw/zinc/49/70/05/557497005.db2.gz	PGLGYJVYMQMUSZ-UHFFFAOYSA-N	1	1	371.485	2.116	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1CCCN(C(N)=O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372598771	557516810	/nfs/dbraw/zinc/51/68/10/557516810.db2.gz	HGOMAZXDDITJJF-MOPGFXCFSA-N	1	1	370.497	2.066	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)CC(=O)NC1(C#N)CCC1	ZINC000372611011	557520682	/nfs/dbraw/zinc/52/06/82/557520682.db2.gz	ONDULZIAZAEOOF-IEBWSBKVSA-N	1	1	354.498	2.391	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1	ZINC000519548945	562134469	/nfs/dbraw/zinc/13/44/69/562134469.db2.gz	RFJVBDXIGKYXEX-GOSISDBHSA-N	1	1	352.438	2.301	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1)C1CC1	ZINC000519600558	562136566	/nfs/dbraw/zinc/13/65/66/562136566.db2.gz	CFHMITIQTQUXMY-DBXWQHBBSA-N	1	1	371.481	2.306	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000372804110	557565345	/nfs/dbraw/zinc/56/53/45/557565345.db2.gz	KWOKAARLDWKJCX-RYQLBKOJSA-N	1	1	357.454	2.085	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1	ZINC000372853270	557575515	/nfs/dbraw/zinc/57/55/15/557575515.db2.gz	YRHYOUYVKDHZMC-OXQOHEQNSA-N	1	1	371.485	2.138	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000372968264	557599407	/nfs/dbraw/zinc/59/94/07/557599407.db2.gz	YLXJDJCMKDCBGG-HOTGVXAUSA-N	1	1	364.490	2.080	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000372968264	557599408	/nfs/dbraw/zinc/59/94/08/557599408.db2.gz	YLXJDJCMKDCBGG-HOTGVXAUSA-N	1	1	364.490	2.080	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCCC23CCC3)CC1	ZINC000373091354	557626970	/nfs/dbraw/zinc/62/69/70/557626970.db2.gz	BUNQBODHHKRPJB-INIZCTEOSA-N	1	1	358.511	2.475	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)CC[N@@H+](C)C3CC3)C2)n1	ZINC000373490787	557703398	/nfs/dbraw/zinc/70/33/98/557703398.db2.gz	UJBBNULYDKRKMU-KRWDZBQOSA-N	1	1	355.486	2.031	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1	ZINC000373675015	557736635	/nfs/dbraw/zinc/73/66/35/557736635.db2.gz	RAGYQIPUFDKXFJ-KBXCAEBGSA-N	1	1	363.483	2.226	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1	ZINC000373675015	557736636	/nfs/dbraw/zinc/73/66/36/557736636.db2.gz	RAGYQIPUFDKXFJ-KBXCAEBGSA-N	1	1	363.483	2.226	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(OCC4CC4)CC3)C2=O)cc1	ZINC000374133955	557829152	/nfs/dbraw/zinc/82/91/52/557829152.db2.gz	YFUVYMXBNKLFPU-GOSISDBHSA-N	1	1	353.422	2.081	20	30		FEEDMO
CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000520843319	562165070	/nfs/dbraw/zinc/16/50/70/562165070.db2.gz	QFKGAAHEJQUXAK-OAHLLOKOSA-N	1	1	374.510	2.477	20	30		FEEDMO
COc1cc(C[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)ccc1C#N	ZINC000374232491	557847918	/nfs/dbraw/zinc/84/79/18/557847918.db2.gz	VMRPEGMJPAIJOB-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
COc1cc(C[N@H+]2CCCN(C(=O)c3ccncc3)CC2)ccc1C#N	ZINC000374232491	557847921	/nfs/dbraw/zinc/84/79/21/557847921.db2.gz	VMRPEGMJPAIJOB-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCC(=O)Nc1ccccc1C#N	ZINC000374431857	557883222	/nfs/dbraw/zinc/88/32/22/557883222.db2.gz	ZASBXFDSJYZPDE-NEWSRXKRSA-N	1	1	356.470	2.070	20	30		FEEDMO
CC(C)c1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)N(C)[C@H](C)CC#N)C1	ZINC000374548105	557897973	/nfs/dbraw/zinc/89/79/73/557897973.db2.gz	FXIBBCJVYOVVDA-CABCVRRESA-N	1	1	353.492	2.122	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2ccc(C#N)nc2)CC1	ZINC000374640050	557910859	/nfs/dbraw/zinc/91/08/59/557910859.db2.gz	WDHDYCANUSWHRT-UHFFFAOYSA-N	1	1	366.450	2.037	20	30		FEEDMO
COC(=O)[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCN(c3sccc3C#N)C1=O)C2	ZINC000374645888	557911643	/nfs/dbraw/zinc/91/16/43/557911643.db2.gz	KCKWEICNXAZWBF-IYOUNJFTSA-N	1	1	359.451	2.000	20	30		FEEDMO
COc1ccccc1N1CC[C@@H](C)[N@@H+](CCC(=O)N(C)CCC#N)CC1	ZINC000375673509	558065520	/nfs/dbraw/zinc/06/55/20/558065520.db2.gz	GHNZVWNLIFSFJQ-QGZVFWFLSA-N	1	1	358.486	2.358	20	30		FEEDMO
N#Cc1ccc(C2=CCN(C(=O)NCC[N@H+]3CCCOCC3)CC2)cc1	ZINC000521557106	562178544	/nfs/dbraw/zinc/17/85/44/562178544.db2.gz	QNBJVPIKPMCXSP-UHFFFAOYSA-N	1	1	354.454	2.079	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)CC2)n1	ZINC000375920779	558100031	/nfs/dbraw/zinc/10/00/31/558100031.db2.gz	OMOZVMJHFPJWNM-INIZCTEOSA-N	1	1	370.844	2.246	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(c3nc4cc(Cl)ccn4c3C#N)CC2)C1	ZINC000376173801	558136771	/nfs/dbraw/zinc/13/67/71/558136771.db2.gz	PJZTVZXSXWBPKG-HNNXBMFYSA-N	1	1	358.877	2.076	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1cccs1	ZINC000376265103	558149681	/nfs/dbraw/zinc/14/96/81/558149681.db2.gz	KDKBSEZGSISDGC-XHDPSFHLSA-N	1	1	351.453	2.184	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)cc1	ZINC000377248336	558297945	/nfs/dbraw/zinc/29/79/45/558297945.db2.gz	GXFOGDLIFOFUAJ-UHFFFAOYSA-N	1	1	361.486	2.240	20	30		FEEDMO
C(#CC[NH+]1CCC(n2cccn2)CC1)CN1CCC(n2cccn2)CC1	ZINC000377394835	558332220	/nfs/dbraw/zinc/33/22/20/558332220.db2.gz	CEHFMCPFFZLZLG-UHFFFAOYSA-N	1	1	352.486	2.057	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(n2cncn2)CC1	ZINC000377476925	558347172	/nfs/dbraw/zinc/34/71/72/558347172.db2.gz	RRRXIIVSVDZCHQ-LBPRGKRZSA-N	1	1	358.833	2.467	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000377717129	558404566	/nfs/dbraw/zinc/40/45/66/558404566.db2.gz	DLAOYMCBJBCOMD-YZGWKJHDSA-N	1	1	354.498	2.201	20	30		FEEDMO
CN1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C#N	ZINC000378112449	558483849	/nfs/dbraw/zinc/48/38/49/558483849.db2.gz	VIDAPSKOHDVSAF-PMACEKPBSA-N	1	1	369.513	2.138	20	30		FEEDMO
C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)CC[N@@H+]1C1CCN(C)CC1	ZINC000378366884	558540263	/nfs/dbraw/zinc/54/02/63/558540263.db2.gz	PSPVDHJCIMCGDH-IWAYRVGRSA-N	1	1	352.482	2.198	20	30		FEEDMO
C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)CC[N@H+]1C1CCN(C)CC1	ZINC000378366884	558540265	/nfs/dbraw/zinc/54/02/65/558540265.db2.gz	PSPVDHJCIMCGDH-IWAYRVGRSA-N	1	1	352.482	2.198	20	30		FEEDMO
C=CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000378402529	558548416	/nfs/dbraw/zinc/54/84/16/558548416.db2.gz	MCYSCCVJSJOTPJ-INIZCTEOSA-N	1	1	369.425	2.231	20	30		FEEDMO
Cc1cc(C2=CC[N@@H+](CCC(=O)N(C)CCC#N)CC2)cc([N+](=O)[O-])c1N	ZINC000378412875	558550938	/nfs/dbraw/zinc/55/09/38/558550938.db2.gz	SEQHCASKTXTWJY-UHFFFAOYSA-N	1	1	371.441	2.337	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N	ZINC000389949563	558609676	/nfs/dbraw/zinc/60/96/76/558609676.db2.gz	RSAUWFRXNQWRSH-LIRRHRJNSA-N	1	1	370.478	2.061	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)c(F)c1	ZINC000523818311	562220339	/nfs/dbraw/zinc/22/03/39/562220339.db2.gz	ZKGQPNWSHQJIOR-MJGOQNOKSA-N	1	1	371.460	2.156	20	30		FEEDMO
C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC[N@@H+]1C	ZINC000409511389	558699246	/nfs/dbraw/zinc/69/92/46/558699246.db2.gz	FEYJJTKCVHCJKL-YGRLFVJLSA-N	1	1	361.389	2.338	20	30		FEEDMO
C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC[N@H+]1C	ZINC000409511389	558699248	/nfs/dbraw/zinc/69/92/48/558699248.db2.gz	FEYJJTKCVHCJKL-YGRLFVJLSA-N	1	1	361.389	2.338	20	30		FEEDMO
CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000410143664	558741815	/nfs/dbraw/zinc/74/18/15/558741815.db2.gz	RTLUPUXTHSLNGW-ZDUSSCGKSA-N	1	1	373.400	2.434	20	30		FEEDMO
CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000410143664	558741818	/nfs/dbraw/zinc/74/18/18/558741818.db2.gz	RTLUPUXTHSLNGW-ZDUSSCGKSA-N	1	1	373.400	2.434	20	30		FEEDMO
C=CC[N@H+](CC1CCCCC1)[C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1	ZINC000411264125	558863171	/nfs/dbraw/zinc/86/31/71/558863171.db2.gz	UVSFDNFTGJPTSE-SJLPKXTDSA-N	1	1	370.559	2.479	20	30		FEEDMO
C=CC[N@@H+](CC1CCCCC1)[C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1	ZINC000411264125	558863173	/nfs/dbraw/zinc/86/31/73/558863173.db2.gz	UVSFDNFTGJPTSE-SJLPKXTDSA-N	1	1	370.559	2.479	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H](CC(N)=O)c1ccccc1	ZINC000411666562	558939163	/nfs/dbraw/zinc/93/91/63/558939163.db2.gz	MKZMTPKUMHNMGM-GOSISDBHSA-N	1	1	350.422	2.435	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000411670580	558940323	/nfs/dbraw/zinc/94/03/23/558940323.db2.gz	KZANXCLMZHCFIX-INIZCTEOSA-N	1	1	372.469	2.156	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC[N@H+]1C	ZINC000525852780	562257396	/nfs/dbraw/zinc/25/73/96/562257396.db2.gz	CJQMHLVUVFWMDQ-CCGTUFIJSA-N	1	1	371.485	2.425	20	30		FEEDMO
CN(C)C(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000411935881	558991094	/nfs/dbraw/zinc/99/10/94/558991094.db2.gz	LCABHTDAHAGURO-ZDUSSCGKSA-N	1	1	374.510	2.237	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000411958638	558995337	/nfs/dbraw/zinc/99/53/37/558995337.db2.gz	CFHDEXWCZDLTBI-OAQYLSRUSA-N	1	1	365.433	2.075	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000411966082	558996469	/nfs/dbraw/zinc/99/64/69/558996469.db2.gz	LBVIHTBGLBMHCX-YCRPNKLZSA-N	1	1	362.433	2.014	20	30		FEEDMO
COC(=O)[C@]1(C)CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000412067827	559009088	/nfs/dbraw/zinc/00/90/88/559009088.db2.gz	MGOKVSWRAUXYLP-FXAWDEMLSA-N	1	1	355.438	2.329	20	30		FEEDMO
C=CCC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1)c1ccccc1	ZINC000413402928	559105218	/nfs/dbraw/zinc/10/52/18/559105218.db2.gz	NXSRQVHZHAZVPQ-ZWKOTPCHSA-N	1	1	359.470	2.440	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC000414457811	559165203	/nfs/dbraw/zinc/16/52/03/559165203.db2.gz	GOWMZNARLZVMFV-MSOLQXFVSA-N	1	1	355.463	2.243	20	30		FEEDMO
C=CCc1cc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc(OC)c1O	ZINC000415129714	559207009	/nfs/dbraw/zinc/20/70/09/559207009.db2.gz	PMFPVFYPAVMRAI-QGZVFWFLSA-N	1	1	357.458	2.017	20	30		FEEDMO
C[N@@H+](CCc1ccc(Br)cc1)CC(=O)NC1(C#N)CCC1	ZINC000527128075	562277341	/nfs/dbraw/zinc/27/73/41/562277341.db2.gz	JBWKPDKMRWLCTA-UHFFFAOYSA-N	1	1	350.260	2.486	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)NC1CCC([NH+]2CCNCC2)CC1	ZINC000417586212	559368056	/nfs/dbraw/zinc/36/80/56/559368056.db2.gz	ATZMWXZOQDRZIF-UHFFFAOYSA-N	1	1	372.513	2.267	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C	ZINC000419317524	559436740	/nfs/dbraw/zinc/43/67/40/559436740.db2.gz	AJOBMCHBBDNSCT-HZPDHXFCSA-N	1	1	363.527	2.290	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000419327455	559437441	/nfs/dbraw/zinc/43/74/41/559437441.db2.gz	CZZJJRGNCIKBAD-CABCVRRESA-N	1	1	356.388	2.324	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NCC3(C#N)CCC3)C2)cc(OC)c1	ZINC000419472889	559444137	/nfs/dbraw/zinc/44/41/37/559444137.db2.gz	KLSDAIPOASLFMY-MRXNPFEDSA-N	1	1	372.469	2.271	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)NCC3(C#N)CCC3)C2)cc(OC)c1	ZINC000419472889	559444138	/nfs/dbraw/zinc/44/41/38/559444138.db2.gz	KLSDAIPOASLFMY-MRXNPFEDSA-N	1	1	372.469	2.271	20	30		FEEDMO
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC[C@H]1CCC[N@@H+]1CCCO	ZINC000419604957	559449524	/nfs/dbraw/zinc/44/95/24/559449524.db2.gz	CZJHYIPUSGZYEV-MJGOQNOKSA-N	1	1	356.470	2.082	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C	ZINC000420762078	559502932	/nfs/dbraw/zinc/50/29/32/559502932.db2.gz	HZPBTZYXMMUVNB-ZWKOTPCHSA-N	1	1	369.465	2.302	20	30		FEEDMO
CNC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1	ZINC000420969558	559515337	/nfs/dbraw/zinc/51/53/37/559515337.db2.gz	FALFXUXRJUIACZ-OAHLLOKOSA-N	1	1	371.485	2.098	20	30		FEEDMO
CNC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1	ZINC000420969558	559515338	/nfs/dbraw/zinc/51/53/38/559515338.db2.gz	FALFXUXRJUIACZ-OAHLLOKOSA-N	1	1	371.485	2.098	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c(C#N)cn1CC	ZINC000421179721	559529336	/nfs/dbraw/zinc/52/93/36/559529336.db2.gz	DGNIUUHUZUBOGC-ZDUSSCGKSA-N	1	1	363.462	2.407	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCc2ccc(C#N)s2)C[C@H](C)O1	ZINC000422220218	559572181	/nfs/dbraw/zinc/57/21/81/559572181.db2.gz	RVVNIBSHESDONB-ZNMIVQPWSA-N	1	1	362.499	2.403	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCc2ccc(C#N)s2)C[C@H](C)O1	ZINC000422220218	559572182	/nfs/dbraw/zinc/57/21/82/559572182.db2.gz	RVVNIBSHESDONB-ZNMIVQPWSA-N	1	1	362.499	2.403	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@@H+]1CC=C(C)CC1	ZINC000422327450	559579007	/nfs/dbraw/zinc/57/90/07/559579007.db2.gz	DILHXDRHDZIYLA-LJQANCHMSA-N	1	1	355.482	2.058	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C	ZINC000422530689	559593151	/nfs/dbraw/zinc/59/31/51/559593151.db2.gz	RFJBUHQRVZTDSB-SXLOBPIMSA-N	1	1	371.525	2.479	20	30		FEEDMO
C=CCCCCCN(C)C(=O)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC	ZINC000423712484	559636730	/nfs/dbraw/zinc/63/67/30/559636730.db2.gz	VRBPCIPFZWYSKB-SFHVURJKSA-N	1	1	373.497	2.373	20	30		FEEDMO
C=CCn1cc(CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)nn1	ZINC000424920649	559680065	/nfs/dbraw/zinc/68/00/65/559680065.db2.gz	CLJHPNSSPRIBCM-HOTGVXAUSA-N	1	1	369.469	2.003	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)nn1	ZINC000425496591	559705654	/nfs/dbraw/zinc/70/56/54/559705654.db2.gz	AZGBJHGOBBHWHA-LJQANCHMSA-N	1	1	368.485	2.174	20	30		FEEDMO
C=CCC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1	ZINC000427121869	559748518	/nfs/dbraw/zinc/74/85/18/559748518.db2.gz	MNRZIKXCTCPIDR-RBUKOAKNSA-N	1	1	357.498	2.440	20	30		FEEDMO
C=CCCCS(=O)(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1	ZINC000427749667	559761434	/nfs/dbraw/zinc/76/14/34/559761434.db2.gz	QQRUTXHUBIHNTN-UHFFFAOYSA-N	1	1	365.499	2.059	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](CCC(=O)NCC3CCCCC3)C2)nc1	ZINC000428782494	559783036	/nfs/dbraw/zinc/78/30/36/559783036.db2.gz	GVLXMOGPQZXUIC-SFHVURJKSA-N	1	1	356.470	2.493	20	30		FEEDMO
COC(=O)c1cccc(OCC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000428783317	559783126	/nfs/dbraw/zinc/78/31/26/559783126.db2.gz	MYVLWPYUBLJEIU-SFHVURJKSA-N	1	1	367.405	2.272	20	30		FEEDMO
Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000428779714	559783192	/nfs/dbraw/zinc/78/31/92/559783192.db2.gz	CZXNRRVNRRKMHB-OALUTQOASA-N	1	1	367.449	2.463	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1	ZINC000429724067	559804508	/nfs/dbraw/zinc/80/45/08/559804508.db2.gz	WLBJGEMDFIQJBL-IBGZPJMESA-N	1	1	363.477	2.165	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(C(=O)NCC2(CC#N)CC2)CC1	ZINC000431049573	559833124	/nfs/dbraw/zinc/83/31/24/559833124.db2.gz	ISCCPMDGPMHEIR-UHFFFAOYSA-N	1	1	350.507	2.460	20	30		FEEDMO
Cc1cn2ccnc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2n1	ZINC000431194605	559835765	/nfs/dbraw/zinc/83/57/65/559835765.db2.gz	UGHPVQUDTXQZAQ-UHFFFAOYSA-N	1	1	374.448	2.258	20	30		FEEDMO
Cc1cn2ccnc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c2n1	ZINC000431194605	559835766	/nfs/dbraw/zinc/83/57/66/559835766.db2.gz	UGHPVQUDTXQZAQ-UHFFFAOYSA-N	1	1	374.448	2.258	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](CCCC#N)c1ccccc1	ZINC000431285676	559836902	/nfs/dbraw/zinc/83/69/02/559836902.db2.gz	UVZAXOURYIJWPF-HKUYNNGSSA-N	1	1	357.502	2.357	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H](C#N)CCc2ccccc2)CC1	ZINC000433358540	559878527	/nfs/dbraw/zinc/87/85/27/559878527.db2.gz	BUTBCZNDGPFUQS-ICSRJNTNSA-N	1	1	356.514	2.149	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000434830808	559910322	/nfs/dbraw/zinc/91/03/22/559910322.db2.gz	LEQWBULRIAJHHR-UHFFFAOYSA-N	1	1	354.458	2.159	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000434830808	559910323	/nfs/dbraw/zinc/91/03/23/559910323.db2.gz	LEQWBULRIAJHHR-UHFFFAOYSA-N	1	1	354.458	2.159	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C	ZINC000437735060	559968866	/nfs/dbraw/zinc/96/88/66/559968866.db2.gz	JGHIODUNYDBQSP-YRXWBPOGSA-N	1	1	367.534	2.404	20	30		FEEDMO
C=CCN(C(=O)NC[C@@H]1CCC[N@H+]1C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000441326328	560028668	/nfs/dbraw/zinc/02/86/68/560028668.db2.gz	FADDOBQEZXORQS-QAPCUYQASA-N	1	1	369.473	2.015	20	30		FEEDMO
C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000443076470	560069687	/nfs/dbraw/zinc/06/96/87/560069687.db2.gz	KRWXICAWJXTENV-NSHDSACASA-N	1	1	361.389	2.292	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000443076470	560069688	/nfs/dbraw/zinc/06/96/88/560069688.db2.gz	KRWXICAWJXTENV-NSHDSACASA-N	1	1	361.389	2.292	20	30		FEEDMO
C=CC[C@H]1[N@H+](CC(=O)Nc2cccc(S(N)(=O)=O)c2)CCCC1(C)C	ZINC000444775800	560120494	/nfs/dbraw/zinc/12/04/94/560120494.db2.gz	OBLZUQMWSHBQPE-MRXNPFEDSA-N	1	1	365.499	2.339	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[C@H]1C	ZINC000447229143	560158223	/nfs/dbraw/zinc/15/82/23/560158223.db2.gz	GXCZJEFUQPFEET-OCCSQVGLSA-N	1	1	362.861	2.481	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C	ZINC000447922451	560173068	/nfs/dbraw/zinc/17/30/68/560173068.db2.gz	AOJDJVYNKJRSBK-DBXWQHBBSA-N	1	1	373.497	2.037	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C	ZINC000447927405	560173454	/nfs/dbraw/zinc/17/34/54/560173454.db2.gz	OZIYTZWVEBLRBI-WIYYLYMNSA-N	1	1	360.498	2.453	20	30		FEEDMO
C=CCCCNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1	ZINC000448372594	560185873	/nfs/dbraw/zinc/18/58/73/560185873.db2.gz	CMBFWRNNWXPPQL-HOTGVXAUSA-N	1	1	359.470	2.317	20	30		FEEDMO
N#Cc1ccc(C2([NH2+]Cc3cn(Cc4cccnc4)nn3)CCOCC2)cc1	ZINC000527809510	562304729	/nfs/dbraw/zinc/30/47/29/562304729.db2.gz	KTBHCDALMDUKJB-UHFFFAOYSA-N	1	1	374.448	2.389	20	30		FEEDMO
CN(C[C@H]1CC[N@@H+](C)C1)C(=O)COc1cccc(Br)c1C#N	ZINC000449840281	560242133	/nfs/dbraw/zinc/24/21/33/560242133.db2.gz	GIZBNOQPZDSJNQ-LBPRGKRZSA-N	1	1	366.259	2.110	20	30		FEEDMO
COC(=O)c1coc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000450214917	560254212	/nfs/dbraw/zinc/25/42/12/560254212.db2.gz	IOGFZXKGLGNBKJ-UHFFFAOYSA-N	1	1	354.410	2.041	20	30		FEEDMO
C=CCC1(C(=O)NCCCCN2CC[NH+](CCO)CC2)CCCCC1	ZINC000450240711	560255182	/nfs/dbraw/zinc/25/51/82/560255182.db2.gz	GXWRWWDNYIUTKI-UHFFFAOYSA-N	1	1	351.535	2.019	20	30		FEEDMO
CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3cccc(Cl)c3C#N)CC2)C1	ZINC000450316595	560258251	/nfs/dbraw/zinc/25/82/51/560258251.db2.gz	ZGRDAOLYMSODLH-INIZCTEOSA-N	1	1	362.905	2.443	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)COc1cccc(Br)c1C#N	ZINC000450373623	560260363	/nfs/dbraw/zinc/26/03/63/560260363.db2.gz	CZEBEQYYLVAJSI-RYUDHWBXSA-N	1	1	366.259	2.251	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000451177394	560291573	/nfs/dbraw/zinc/29/15/73/560291573.db2.gz	IFIOQCIVAYNDEO-QGZVFWFLSA-N	1	1	354.479	2.244	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000451177394	560291574	/nfs/dbraw/zinc/29/15/74/560291574.db2.gz	IFIOQCIVAYNDEO-QGZVFWFLSA-N	1	1	354.479	2.244	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1	ZINC000451365144	560302809	/nfs/dbraw/zinc/30/28/09/560302809.db2.gz	WBOBUFOYSRWUBX-UHFFFAOYSA-N	1	1	371.547	2.080	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3cccc(C#N)c3F)C2)CC1	ZINC000451529625	560312502	/nfs/dbraw/zinc/31/25/02/560312502.db2.gz	NMQOQRONMDZODS-SFHVURJKSA-N	1	1	372.488	2.464	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1	ZINC000451796258	560329076	/nfs/dbraw/zinc/32/90/76/560329076.db2.gz	KTSWLDCYQYRGKH-UHFFFAOYSA-N	1	1	364.515	2.111	20	30		FEEDMO
C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1	ZINC000453412375	560386190	/nfs/dbraw/zinc/38/61/90/560386190.db2.gz	GQWWDZVJMJSMSX-HOTGVXAUSA-N	1	1	363.506	2.251	20	30		FEEDMO
C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1	ZINC000453412375	560386191	/nfs/dbraw/zinc/38/61/91/560386191.db2.gz	GQWWDZVJMJSMSX-HOTGVXAUSA-N	1	1	363.506	2.251	20	30		FEEDMO
C=C(C)Cn1c(N2CC[N@H+](CCOC)[C@@H](C)C2)nnc1[C@]1(C)CCCO1	ZINC000453472503	560387730	/nfs/dbraw/zinc/38/77/30/560387730.db2.gz	XVEOEQHBLVXFON-LPHOPBHVSA-N	1	1	363.506	2.037	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000453705465	560398333	/nfs/dbraw/zinc/39/83/33/560398333.db2.gz	HKUPDNJIHYQCJQ-GFCCVEGCSA-N	1	1	362.499	2.408	20	30		FEEDMO
CCN1CC[NH+](CC(C)(C)NC(=O)Nc2cc(C#N)ccc2OC)CC1	ZINC000454635838	560452184	/nfs/dbraw/zinc/45/21/84/560452184.db2.gz	DQEWINFDGGOALY-UHFFFAOYSA-N	1	1	359.474	2.104	20	30		FEEDMO
CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000455100587	560470173	/nfs/dbraw/zinc/47/01/73/560470173.db2.gz	NMAHHDFPHYHLHD-AWEZNQCLSA-N	1	1	370.432	2.831	20	30		FEEDMO
C[C@@H](CNC(=O)C(C)(C)Cc1ccc(C#N)cc1)CN1CC[NH+](C)CC1	ZINC000455656885	560490744	/nfs/dbraw/zinc/49/07/44/560490744.db2.gz	CDQHFJXSAZXQHD-KRWDZBQOSA-N	1	1	356.514	2.127	20	30		FEEDMO
C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1	ZINC000455772671	560494497	/nfs/dbraw/zinc/49/44/97/560494497.db2.gz	OYPDFLMIPJTXPK-AWEZNQCLSA-N	1	1	360.458	2.266	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2cc(C)cc(C#N)c2)CC1	ZINC000455980305	560503044	/nfs/dbraw/zinc/50/30/44/560503044.db2.gz	FKNGCGFMFHRENX-UHFFFAOYSA-N	1	1	371.485	2.275	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2cc(C)cc(C#N)c2)CC1	ZINC000455980305	560503045	/nfs/dbraw/zinc/50/30/45/560503045.db2.gz	FKNGCGFMFHRENX-UHFFFAOYSA-N	1	1	371.485	2.275	20	30		FEEDMO
CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000456357357	560517310	/nfs/dbraw/zinc/51/73/10/560517310.db2.gz	SHLPHQNZDYUFAT-QGZVFWFLSA-N	1	1	368.485	2.093	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000457714177	560583480	/nfs/dbraw/zinc/58/34/80/560583480.db2.gz	KWWSTEUVTSPMGJ-UHFFFAOYSA-N	1	1	371.529	2.433	20	30		FEEDMO
C[C@H](CNC(=O)N(C)CC(C)(C)C#N)[NH+]1CCN(c2ccccc2)CC1	ZINC000457722868	560583917	/nfs/dbraw/zinc/58/39/17/560583917.db2.gz	FMZFXTLLJCMRHR-QGZVFWFLSA-N	1	1	357.502	2.388	20	30		FEEDMO
C=CCC1(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCCCC1	ZINC000458376014	560618458	/nfs/dbraw/zinc/61/84/58/560618458.db2.gz	ULNGTOHFCVNKFB-UHFFFAOYSA-N	1	1	350.507	2.117	20	30		FEEDMO
COc1cc(CCNC(=O)C[NH2+][C@H]2CCC[C@@H]2C#N)ccc1OC(F)F	ZINC000459450381	560687122	/nfs/dbraw/zinc/68/71/22/560687122.db2.gz	ACBFINRJMLBXDB-KGLIPLIRSA-N	1	1	367.396	2.237	20	30		FEEDMO
Cc1cc(C(=O)N2CC[N@H+](CCCOc3cccc(C#N)c3)[C@H](C)C2)[nH]n1	ZINC000459579752	560695603	/nfs/dbraw/zinc/69/56/03/560695603.db2.gz	AEXNKZLDMADWOE-MRXNPFEDSA-N	1	1	367.453	2.205	20	30		FEEDMO
Cc1cc(C(=O)N2CC[N@@H+](CCCOc3cccc(C#N)c3)[C@H](C)C2)[nH]n1	ZINC000459579752	560695605	/nfs/dbraw/zinc/69/56/05/560695605.db2.gz	AEXNKZLDMADWOE-MRXNPFEDSA-N	1	1	367.453	2.205	20	30		FEEDMO
CON1CCC([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000459579669	560695667	/nfs/dbraw/zinc/69/56/67/560695667.db2.gz	KRXMQQMFBGQOTJ-UHFFFAOYSA-N	1	1	362.499	2.395	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000459912472	560718881	/nfs/dbraw/zinc/71/88/81/560718881.db2.gz	YBFYRUVKJUJBPP-RBUKOAKNSA-N	1	1	355.482	2.144	20	30		FEEDMO
CCOCc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CC	ZINC000460229854	560738725	/nfs/dbraw/zinc/73/87/25/560738725.db2.gz	AUOHXMIXFSYYHU-UHFFFAOYSA-N	1	1	368.485	2.418	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[N@H+](CC)CC1	ZINC000460553991	560746130	/nfs/dbraw/zinc/74/61/30/560746130.db2.gz	ILXYNPRHBRVNGM-INIZCTEOSA-N	1	1	351.495	2.110	20	30		FEEDMO
C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000460960198	560757140	/nfs/dbraw/zinc/75/71/40/560757140.db2.gz	QTCQFMMFJFNTTA-GOSISDBHSA-N	1	1	369.517	2.389	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@H]3CCC[C@H]3C#N)c2)CCO1	ZINC000461941154	560788960	/nfs/dbraw/zinc/78/89/60/560788960.db2.gz	NFYOAMJWSZVYGO-MNEFBYGVSA-N	1	1	356.470	2.399	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@H]3CCC[C@H]3C#N)c2)CCO1	ZINC000461941154	560788961	/nfs/dbraw/zinc/78/89/61/560788961.db2.gz	NFYOAMJWSZVYGO-MNEFBYGVSA-N	1	1	356.470	2.399	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000461958257	560789660	/nfs/dbraw/zinc/78/96/60/560789660.db2.gz	QQYOTQIHXKHMFU-LMMKCTJWSA-N	1	1	355.486	2.189	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[C@H]2C#N)CC1	ZINC000461962756	560789829	/nfs/dbraw/zinc/78/98/29/560789829.db2.gz	GZCVCUOPCKTHSC-FXAWDEMLSA-N	1	1	369.513	2.316	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000462139730	560798871	/nfs/dbraw/zinc/79/88/71/560798871.db2.gz	ZCJVCXZOAJLKEF-JKSUJKDBSA-N	1	1	356.470	2.451	20	30		FEEDMO
C[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1cccc(C#N)c1	ZINC000462270435	560803789	/nfs/dbraw/zinc/80/37/89/560803789.db2.gz	NSDKBQBDODGHMZ-ZLGUVYLKSA-N	1	1	363.461	2.413	20	30		FEEDMO
COCC[N@H+](C)CCCC1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000469768751	560963925	/nfs/dbraw/zinc/96/39/25/560963925.db2.gz	LSPJKVMRXGNOPZ-QGZVFWFLSA-N	1	1	364.534	2.008	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN([C@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000469768751	560963926	/nfs/dbraw/zinc/96/39/26/560963926.db2.gz	LSPJKVMRXGNOPZ-QGZVFWFLSA-N	1	1	364.534	2.008	20	30		FEEDMO
Cn1cc(C#N)cc1C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000469858183	560966857	/nfs/dbraw/zinc/96/68/57/560966857.db2.gz	CCYYVRSUEYGXJH-QGZVFWFLSA-N	1	1	354.479	2.244	20	30		FEEDMO
Cn1cc(C#N)cc1C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000469858183	560966858	/nfs/dbraw/zinc/96/68/58/560966858.db2.gz	CCYYVRSUEYGXJH-QGZVFWFLSA-N	1	1	354.479	2.244	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1	ZINC000470361065	560979526	/nfs/dbraw/zinc/97/95/26/560979526.db2.gz	IQVZMVTZKGMGTR-MJGOQNOKSA-N	1	1	370.497	2.279	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1	ZINC000470361065	560979527	/nfs/dbraw/zinc/97/95/27/560979527.db2.gz	IQVZMVTZKGMGTR-MJGOQNOKSA-N	1	1	370.497	2.279	20	30		FEEDMO
C=CCOCCC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000470718802	560987958	/nfs/dbraw/zinc/98/79/58/560987958.db2.gz	XRTZSXYFISFOQQ-QGZVFWFLSA-N	1	1	353.484	2.277	20	30		FEEDMO
C=CCOCCC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000470718802	560987959	/nfs/dbraw/zinc/98/79/59/560987959.db2.gz	XRTZSXYFISFOQQ-QGZVFWFLSA-N	1	1	353.484	2.277	20	30		FEEDMO
CC(C)OC[C@@H](O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471010401	560996317	/nfs/dbraw/zinc/99/63/17/560996317.db2.gz	VZUSQJMPQYXSGN-ZWKOTPCHSA-N	1	1	351.878	2.308	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[NH+]2CCC(Oc3ccccn3)CC2)cc1	ZINC000471149484	560999278	/nfs/dbraw/zinc/99/92/78/560999278.db2.gz	WJGNOBYRYXUHJW-UHFFFAOYSA-N	1	1	350.422	2.113	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[N@H+](C)CC[C@H]3C)C2)n1	ZINC000471953476	561015010	/nfs/dbraw/zinc/01/50/10/561015010.db2.gz	QLEADHPNSNRUTK-SJLPKXTDSA-N	1	1	355.486	2.031	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](CCCOc3ccc(F)cc3)CC2)c1C#N	ZINC000472164067	561020025	/nfs/dbraw/zinc/02/00/25/561020025.db2.gz	RVJINGVUEUUELV-UHFFFAOYSA-N	1	1	357.433	2.330	20	30		FEEDMO
COc1ccc(OCCC[NH+]2CCN(c3c(C#N)c(C)nn3C)CC2)cc1	ZINC000472177614	561020466	/nfs/dbraw/zinc/02/04/66/561020466.db2.gz	WJSLGVGKINYOBN-UHFFFAOYSA-N	1	1	369.469	2.200	20	30		FEEDMO
Cn1ncc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1C#N	ZINC000476554429	561122331	/nfs/dbraw/zinc/12/23/31/561122331.db2.gz	XRIANTJEULJPSM-UHFFFAOYSA-N	1	1	363.465	2.420	20	30		FEEDMO
CC[NH+](CC)CC1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1	ZINC000528354678	562324380	/nfs/dbraw/zinc/32/43/80/562324380.db2.gz	XLIDVEGFNRWXMO-UHFFFAOYSA-N	1	1	367.493	2.340	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12	ZINC000528451867	562330108	/nfs/dbraw/zinc/33/01/08/562330108.db2.gz	NHIHUFZJSXBPAO-HSZRJFAPSA-N	1	1	372.424	2.417	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@]2(C1)OCc1ccccc12	ZINC000528451867	562330109	/nfs/dbraw/zinc/33/01/09/562330109.db2.gz	NHIHUFZJSXBPAO-HSZRJFAPSA-N	1	1	372.424	2.417	20	30		FEEDMO
C[N@H+]1CCN(C[C@@H](O)COc2ccccc2C#N)C[C@@H]1Cc1ccccc1	ZINC000528495048	562332324	/nfs/dbraw/zinc/33/23/24/562332324.db2.gz	CGDBNWSTSCDEHQ-LEWJYISDSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H]1Cc1ccccc1	ZINC000528495048	562332325	/nfs/dbraw/zinc/33/23/25/562332325.db2.gz	CGDBNWSTSCDEHQ-LEWJYISDSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@@H]1Cc1ccccc1	ZINC000528495048	562332326	/nfs/dbraw/zinc/33/23/26/562332326.db2.gz	CGDBNWSTSCDEHQ-LEWJYISDSA-N	1	1	365.477	2.157	20	30		FEEDMO
C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000528530467	562334361	/nfs/dbraw/zinc/33/43/61/562334361.db2.gz	YEWKZRMNKGHHKK-BEFAXECRSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000528530467	562334362	/nfs/dbraw/zinc/33/43/62/562334362.db2.gz	YEWKZRMNKGHHKK-BEFAXECRSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000528530468	562334518	/nfs/dbraw/zinc/33/45/18/562334518.db2.gz	YEWKZRMNKGHHKK-DNVCBOLYSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000528530468	562334519	/nfs/dbraw/zinc/33/45/19/562334519.db2.gz	YEWKZRMNKGHHKK-DNVCBOLYSA-N	1	1	370.478	2.142	20	30		FEEDMO
N#Cc1cccc(-c2c[nH]c(CNC(=O)CCCC[NH+]3CCOCC3)n2)c1	ZINC000530481722	562412975	/nfs/dbraw/zinc/41/29/75/562412975.db2.gz	NVADPAWZJHLAMM-UHFFFAOYSA-N	1	1	367.453	2.067	20	30		FEEDMO
C=C(C)COCCNC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000532396941	562476456	/nfs/dbraw/zinc/47/64/56/562476456.db2.gz	LJGVBPNZYSGEBL-PKOBYXMFSA-N	1	1	361.486	2.168	20	30		FEEDMO
C=C(C)COCCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000532396941	562476457	/nfs/dbraw/zinc/47/64/57/562476457.db2.gz	LJGVBPNZYSGEBL-PKOBYXMFSA-N	1	1	361.486	2.168	20	30		FEEDMO
COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1C#N	ZINC000534471661	562534817	/nfs/dbraw/zinc/53/48/17/562534817.db2.gz	WYHGZEVXXCRCCK-OAHLLOKOSA-N	1	1	365.437	2.262	20	30		FEEDMO
COC(=O)c1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1C#N	ZINC000534471661	562534818	/nfs/dbraw/zinc/53/48/18/562534818.db2.gz	WYHGZEVXXCRCCK-OAHLLOKOSA-N	1	1	365.437	2.262	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC=C(C(C)(C)C)CC3)CC2)o1	ZINC000534659497	562539406	/nfs/dbraw/zinc/53/94/06/562539406.db2.gz	YCGNZWOAGWZRMU-UHFFFAOYSA-N	1	1	371.485	2.182	20	30		FEEDMO
N#Cc1cccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1	ZINC000536432766	562575249	/nfs/dbraw/zinc/57/52/49/562575249.db2.gz	VFGFLAUAZDDEJX-LEWJYISDSA-N	1	1	363.461	2.100	20	30		FEEDMO
COC(=O)c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1C#N	ZINC000536542473	562578474	/nfs/dbraw/zinc/57/84/74/562578474.db2.gz	NUVMAKSLWVNLIR-DNVCBOLYSA-N	1	1	367.449	2.320	20	30		FEEDMO
COC(=O)c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1C#N	ZINC000536542473	562578475	/nfs/dbraw/zinc/57/84/75/562578475.db2.gz	NUVMAKSLWVNLIR-DNVCBOLYSA-N	1	1	367.449	2.320	20	30		FEEDMO
COC(=O)c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1C#N	ZINC000536542475	562578568	/nfs/dbraw/zinc/57/85/68/562578568.db2.gz	NUVMAKSLWVNLIR-KXBFYZLASA-N	1	1	367.449	2.320	20	30		FEEDMO
COC(=O)c1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1C#N	ZINC000536542475	562578569	/nfs/dbraw/zinc/57/85/69/562578569.db2.gz	NUVMAKSLWVNLIR-KXBFYZLASA-N	1	1	367.449	2.320	20	30		FEEDMO
CCC(CC)[C@H](CNC(=O)N1CCC(CC#N)CC1)[NH+]1CCOCC1	ZINC000540992384	562599760	/nfs/dbraw/zinc/59/97/60/562599760.db2.gz	WFQCWYKRMHQYQG-SFHVURJKSA-N	1	1	350.507	2.459	20	30		FEEDMO
CCN(CC)C(=O)CCC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000542042452	562625839	/nfs/dbraw/zinc/62/58/39/562625839.db2.gz	UHKHJOPZPABWRA-HXUWFJFHSA-N	1	1	370.497	2.445	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@H](C)N1CC#N	ZINC000602854524	568002088	/nfs/dbraw/zinc/00/20/88/568002088.db2.gz	CKZNTDQFEQVXLO-IJEWVQPXSA-N	1	1	371.403	2.363	20	30		FEEDMO
C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602857186	568002689	/nfs/dbraw/zinc/00/26/89/568002689.db2.gz	PUYDYLYPSQMLDG-IXDOHACOSA-N	1	1	367.497	2.133	20	30		FEEDMO
C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602857186	568002690	/nfs/dbraw/zinc/00/26/90/568002690.db2.gz	PUYDYLYPSQMLDG-IXDOHACOSA-N	1	1	367.497	2.133	20	30		FEEDMO
N#Cc1ccc(C2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)nc1	ZINC000602911833	568011405	/nfs/dbraw/zinc/01/14/05/568011405.db2.gz	JATRSPVPLLZGHW-UHFFFAOYSA-N	1	1	351.454	2.475	20	30		FEEDMO
Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000568520835	568045918	/nfs/dbraw/zinc/04/59/18/568045918.db2.gz	AQLZQHSNFQOXOS-LJQANCHMSA-N	1	1	360.421	2.496	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@@H](C)N1CC#N	ZINC000603087990	568059366	/nfs/dbraw/zinc/05/93/66/568059366.db2.gz	CFNDHGFIIFTBOA-KBUPBQIOSA-N	1	1	374.451	2.340	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@@]3(C#N)CCSC3)cc2)C[C@H](C)O1	ZINC000603885912	568177049	/nfs/dbraw/zinc/17/70/49/568177049.db2.gz	NALVFMUFTNVHAB-ZRGWGRIASA-N	1	1	359.495	2.425	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@]3(C#N)CCSC3)cc2)C[C@H](C)O1	ZINC000603885912	568177050	/nfs/dbraw/zinc/17/70/50/568177050.db2.gz	NALVFMUFTNVHAB-ZRGWGRIASA-N	1	1	359.495	2.425	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000568951290	568255047	/nfs/dbraw/zinc/25/50/47/568255047.db2.gz	UUFIZMKQHHQBHB-HNNXBMFYSA-N	1	1	365.474	2.191	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000569337377	568395182	/nfs/dbraw/zinc/39/51/82/568395182.db2.gz	XOGFXBUTMWOHIX-NSHDSACASA-N	1	1	352.847	2.331	20	30		FEEDMO
C#Cc1cncc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1	ZINC000807411096	674415013	/nfs/dbraw/zinc/41/50/13/674415013.db2.gz	FZPFIXDYCPCPCG-IBGZPJMESA-N	1	1	351.475	2.410	20	30		FEEDMO
C#Cc1cncc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1	ZINC000807411096	674415017	/nfs/dbraw/zinc/41/50/17/674415017.db2.gz	FZPFIXDYCPCPCG-IBGZPJMESA-N	1	1	351.475	2.410	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1	ZINC000558059437	674481657	/nfs/dbraw/zinc/48/16/57/674481657.db2.gz	OYSOEDPJSCGUER-QGZVFWFLSA-N	1	1	363.889	2.455	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1	ZINC000558059437	674481658	/nfs/dbraw/zinc/48/16/58/674481658.db2.gz	OYSOEDPJSCGUER-QGZVFWFLSA-N	1	1	363.889	2.455	20	30		FEEDMO
C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[NH+](CCOC)CC1	ZINC000558996561	674523168	/nfs/dbraw/zinc/52/31/68/674523168.db2.gz	KKYWOFDPBOQJBY-UHFFFAOYSA-N	1	1	361.515	2.275	20	30		FEEDMO
CC[C@@H](C#N)Oc1cc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)ccc1OC	ZINC000833636441	605227202	/nfs/dbraw/zinc/22/72/02/605227202.db2.gz	ROZUBFGLSZKETL-INIZCTEOSA-N	1	1	361.442	2.015	20	30		FEEDMO
N#Cc1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1	ZINC000826384994	608502974	/nfs/dbraw/zinc/50/29/74/608502974.db2.gz	SLOMSALMZJNMSC-UHFFFAOYSA-N	1	1	365.466	2.118	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1	ZINC000559978114	674562556	/nfs/dbraw/zinc/56/25/56/674562556.db2.gz	KKQRFZKNHQQNRZ-HUUCEWRRSA-N	1	1	363.527	2.472	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1	ZINC000559978114	674562560	/nfs/dbraw/zinc/56/25/60/674562560.db2.gz	KKQRFZKNHQQNRZ-HUUCEWRRSA-N	1	1	363.527	2.472	20	30		FEEDMO
C#C[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cc1	ZINC000811914190	674638975	/nfs/dbraw/zinc/63/89/75/674638975.db2.gz	DEBJLVBVEPMOJU-KRWDZBQOSA-N	1	1	362.905	2.340	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1	ZINC000811890653	674636174	/nfs/dbraw/zinc/63/61/74/674636174.db2.gz	XFJFLBXKHGAHOJ-QAPCUYQASA-N	1	1	362.905	2.197	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](c2nc[nH]n2)C1	ZINC000563022174	674836136	/nfs/dbraw/zinc/83/61/36/674836136.db2.gz	PGDMTQDXUBHQBW-MNOVXSKESA-N	1	1	356.455	2.043	20	30		FEEDMO
C#CCNC(=O)CC[NH+]1CCN([C@H](C)c2nc3ccccc3s2)CC1	ZINC000815010273	674895137	/nfs/dbraw/zinc/89/51/37/674895137.db2.gz	IOQSEDSLHDEGSZ-OAHLLOKOSA-N	1	1	356.495	2.114	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2nc(Cl)sc2c1	ZINC000815082281	674913895	/nfs/dbraw/zinc/91/38/95/674913895.db2.gz	IYAWENHPHGBXFP-UHFFFAOYSA-N	1	1	357.888	2.183	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1F	ZINC000815082378	674913906	/nfs/dbraw/zinc/91/39/06/674913906.db2.gz	NTYPDIXRTOSZBL-UHFFFAOYSA-N	1	1	352.353	2.078	20	30		FEEDMO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(=O)CC)ccc1Cl	ZINC000815082457	674913910	/nfs/dbraw/zinc/91/39/10/674913910.db2.gz	SAAFOOGFIAMKMH-UHFFFAOYSA-N	1	1	356.875	2.166	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CCN1c1snc(C)c1C#N	ZINC001049004921	675020735	/nfs/dbraw/zinc/02/07/35/675020735.db2.gz	HDHXVOVFXWHRPL-UHOFOFEASA-N	1	1	361.515	2.139	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)COCc2cccs2)c1	ZINC000076748878	670554531	/nfs/dbraw/zinc/55/45/31/670554531.db2.gz	INSQYGFWUJGVFJ-QGZVFWFLSA-N	1	1	358.463	2.177	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)COCc2cccs2)c1	ZINC000076748878	670554535	/nfs/dbraw/zinc/55/45/35/670554535.db2.gz	INSQYGFWUJGVFJ-QGZVFWFLSA-N	1	1	358.463	2.177	20	30		FEEDMO
C=C(Br)C[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1	ZINC000105453720	670800745	/nfs/dbraw/zinc/80/07/45/670800745.db2.gz	SDHAGKPBTZIWNY-UHFFFAOYSA-N	1	1	363.639	2.211	20	30		FEEDMO
CC(C)[C@@H](NC(=O)CO[NH+]=C(N)C1CCOCC1)c1ccc(F)cc1	ZINC000112087233	670865920	/nfs/dbraw/zinc/86/59/20/670865920.db2.gz	OZNQFANTTUVYSQ-QGZVFWFLSA-N	1	1	351.422	2.354	20	30		FEEDMO
C[C@]1(CO)CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000571391436	670866606	/nfs/dbraw/zinc/86/66/06/670866606.db2.gz	CZEGMVCPJCOTMB-QGZVFWFLSA-N	1	1	354.372	2.020	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1Cl	ZINC000572024187	670952670	/nfs/dbraw/zinc/95/26/70/670952670.db2.gz	CXYSIXBVXWDEJI-AWEZNQCLSA-N	1	1	358.891	2.405	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1Cl	ZINC000572024187	670952674	/nfs/dbraw/zinc/95/26/74/670952674.db2.gz	CXYSIXBVXWDEJI-AWEZNQCLSA-N	1	1	358.891	2.405	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC[N@H+](C2CCC2)C1	ZINC000579907633	671769017	/nfs/dbraw/zinc/76/90/17/671769017.db2.gz	YPWBXDNQVWPMIF-AWEZNQCLSA-N	1	1	365.474	2.333	20	30		FEEDMO
COCC[N@@H+]1[C@H](C)CN(CC(=O)Nc2sc(C)c(C)c2C#N)C[C@@H]1C	ZINC000129394075	672062027	/nfs/dbraw/zinc/06/20/27/672062027.db2.gz	TYYWARUUPLCOQS-BETUJISGSA-N	1	1	364.515	2.216	20	30		FEEDMO
C#CCOCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1	ZINC000133825708	672115816	/nfs/dbraw/zinc/11/58/16/672115816.db2.gz	DNRIPUFISYLONM-MRXNPFEDSA-N	1	1	350.846	2.166	20	30		FEEDMO
CS(=O)(=O)CCCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000610734406	675992839	/nfs/dbraw/zinc/99/28/39/675992839.db2.gz	NDEYHSGCZATHOQ-UHFFFAOYSA-N	1	1	363.483	2.034	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2	ZINC000180467910	672414177	/nfs/dbraw/zinc/41/41/77/672414177.db2.gz	YQEMTHWVILXLGL-WDEREUQCSA-N	1	1	367.243	2.009	20	30		FEEDMO
C=C(C)CN(CC)C(=O)CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000588710783	672474618	/nfs/dbraw/zinc/47/46/18/672474618.db2.gz	WDVHHORDYBVTOL-QZTJIDSGSA-N	1	1	351.535	2.232	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CSCc1ccc(C#N)cc1	ZINC000590402444	672579231	/nfs/dbraw/zinc/57/92/31/672579231.db2.gz	UGDDQPCEAASZBH-MSOLQXFVSA-N	1	1	359.495	2.113	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c(Cl)c1	ZINC000590774473	672616769	/nfs/dbraw/zinc/61/67/69/672616769.db2.gz	CETDLGQBDNCNAX-GFCCVEGCSA-N	1	1	356.253	2.442	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1	ZINC000193486321	672726623	/nfs/dbraw/zinc/72/66/23/672726623.db2.gz	GGDQWZWHVTUSHG-IYBDPMFKSA-N	1	1	351.491	2.210	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1CC[N@@H+](CCO)C(C)(C)C1	ZINC000682034694	672729405	/nfs/dbraw/zinc/72/94/05/672729405.db2.gz	LFBLCZQEAWPXDB-UHFFFAOYSA-N	1	1	363.527	2.292	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)Cc2cc(-c3ccccc3)no2)CC1	ZINC000592285341	672780686	/nfs/dbraw/zinc/78/06/86/672780686.db2.gz	ZEPDDNRZPQDKIX-UHFFFAOYSA-N	1	1	361.467	2.411	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc(OC)c1OCC(F)F	ZINC000592522362	672810408	/nfs/dbraw/zinc/81/04/08/672810408.db2.gz	MNJKNZOGHFHBSS-KRWDZBQOSA-N	1	1	356.369	2.198	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc(OC)c1OCC(F)F	ZINC000592522362	672810412	/nfs/dbraw/zinc/81/04/12/672810412.db2.gz	MNJKNZOGHFHBSS-KRWDZBQOSA-N	1	1	356.369	2.198	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@](C)(C#N)C2)[C@@H](C)C1	ZINC000612128154	676069848	/nfs/dbraw/zinc/06/98/48/676069848.db2.gz	ZSEMMZPNAIKYMS-JENIJYKNSA-N	1	1	350.507	2.459	20	30		FEEDMO
C[NH+]=C(NCC1(N2CCSCC2)CCCC1)N(C)Cc1cccn1C	ZINC000262008586	672907511	/nfs/dbraw/zinc/90/75/11/672907511.db2.gz	WDRMVFRFSVZGBA-UHFFFAOYSA-N	1	1	363.575	2.394	20	30		FEEDMO
COCCOCC[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1	ZINC000593518491	672932359	/nfs/dbraw/zinc/93/23/59/672932359.db2.gz	PLMHTOOVBVOPGC-UHFFFAOYSA-N	1	1	357.376	2.362	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)C1	ZINC000328860752	673068505	/nfs/dbraw/zinc/06/85/05/673068505.db2.gz	ANFGXMMUKDWPKP-INIZCTEOSA-N	1	1	367.515	2.365	20	30		FEEDMO
CC[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C	ZINC000329117483	673072513	/nfs/dbraw/zinc/07/25/13/673072513.db2.gz	NXBFKTJEDUGSSU-VEDBGLOESA-N	1	1	351.491	2.232	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC[N@H+]1C	ZINC000329739702	673082797	/nfs/dbraw/zinc/08/27/97/673082797.db2.gz	UZJDLIZOXFNHNN-UKRRQHHQSA-N	1	1	351.472	2.014	20	30		FEEDMO
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12	ZINC000594483024	673086616	/nfs/dbraw/zinc/08/66/16/673086616.db2.gz	HPZGUWTUUUIQAN-IRXDYDNUSA-N	1	1	351.447	2.134	20	30		FEEDMO
CC1(C)CN(c2cc(Br)c(C#N)cc2F)CC[N@@H+]1CCO	ZINC000594572444	673099165	/nfs/dbraw/zinc/09/91/65/673099165.db2.gz	DNDZGDIIFDRIGP-UHFFFAOYSA-N	1	1	356.239	2.353	20	30		FEEDMO
CC1(C)CN(c2cc(Br)c(C#N)cc2F)CC[N@H+]1CCO	ZINC000594572444	673099172	/nfs/dbraw/zinc/09/91/72/673099172.db2.gz	DNDZGDIIFDRIGP-UHFFFAOYSA-N	1	1	356.239	2.353	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000595355733	673231701	/nfs/dbraw/zinc/23/17/01/673231701.db2.gz	QSQDYNCBRLQCGU-CYBMUJFWSA-N	1	1	372.288	2.083	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000595452955	673252590	/nfs/dbraw/zinc/25/25/90/673252590.db2.gz	CFYWZKPKAVCGPH-OAHLLOKOSA-N	1	1	361.515	2.183	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000595743182	673288180	/nfs/dbraw/zinc/28/81/80/673288180.db2.gz	QXLLUBYBDOWOMS-PVXIVEMSSA-N	1	1	360.845	2.139	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000595743182	673288185	/nfs/dbraw/zinc/28/81/85/673288185.db2.gz	QXLLUBYBDOWOMS-PVXIVEMSSA-N	1	1	360.845	2.139	20	30		FEEDMO
N#Cc1ccc(Br)c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1	ZINC000595863029	673331639	/nfs/dbraw/zinc/33/16/39/673331639.db2.gz	JLYQVCABMOUMOU-MRXNPFEDSA-N	1	1	364.287	2.352	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@](C)(C(F)F)O1	ZINC000595922974	673340544	/nfs/dbraw/zinc/34/05/44/673340544.db2.gz	UGEGIOHYZMBCJP-QIIPPGSGSA-N	1	1	354.397	2.237	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@](C)(C(F)F)O1	ZINC000595922974	673340546	/nfs/dbraw/zinc/34/05/46/673340546.db2.gz	UGEGIOHYZMBCJP-QIIPPGSGSA-N	1	1	354.397	2.237	20	30		FEEDMO
N#Cc1cc(Br)ccc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1	ZINC000596538622	673392546	/nfs/dbraw/zinc/39/25/46/673392546.db2.gz	MWJUQZSIWYBOCF-OAHLLOKOSA-N	1	1	350.260	2.356	20	30		FEEDMO
COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc(Cl)c1OCC(N)=O	ZINC000597173865	673453528	/nfs/dbraw/zinc/45/35/28/673453528.db2.gz	MGZFQEOFJXBMHG-GFCCVEGCSA-N	1	1	351.834	2.338	20	30		FEEDMO
COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cc(Cl)c1OCC(N)=O	ZINC000597173865	673453531	/nfs/dbraw/zinc/45/35/31/673453531.db2.gz	MGZFQEOFJXBMHG-GFCCVEGCSA-N	1	1	351.834	2.338	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(c3ccsc3C#N)CC1)C2	ZINC000597938486	673521319	/nfs/dbraw/zinc/52/13/19/673521319.db2.gz	DKIQICZPQIVQAR-CQSZACIVSA-N	1	1	355.467	2.036	20	30		FEEDMO
COC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000540475825	673541576	/nfs/dbraw/zinc/54/15/76/673541576.db2.gz	NASMYHPQIISELP-GOSISDBHSA-N	1	1	362.426	2.448	20	30		FEEDMO
CCC[N@H+]1CC[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000598343466	673561728	/nfs/dbraw/zinc/56/17/28/673561728.db2.gz	VZLKDCKNDHEDAP-ZDUSSCGKSA-N	1	1	366.259	2.300	20	30		FEEDMO
C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H](CO)c1ccc(Cl)cc1	ZINC000599431659	673675465	/nfs/dbraw/zinc/67/54/65/673675465.db2.gz	NBNXOGKCLDAIHO-IRXDYDNUSA-N	1	1	352.862	2.377	20	30		FEEDMO
COC(=O)c1ccc(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)nc1	ZINC000599444100	673676057	/nfs/dbraw/zinc/67/60/57/673676057.db2.gz	PVQNWAILBXWNCU-UHFFFAOYSA-N	1	1	358.423	2.262	20	30		FEEDMO
CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599501498	673685546	/nfs/dbraw/zinc/68/55/46/673685546.db2.gz	YOQOJXDVKNFFRY-YJBOKZPZSA-N	1	1	352.475	2.254	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C1	ZINC000601360025	673848271	/nfs/dbraw/zinc/84/82/71/673848271.db2.gz	RMWMKLSEBVGYGW-AWEZNQCLSA-N	1	1	353.463	2.358	20	30		FEEDMO
COC(=O)[C@@H]([NH2+]CCCNC(=O)c1ccc(Cl)c(C#N)c1)C(C)C	ZINC000603059094	673916209	/nfs/dbraw/zinc/91/62/09/673916209.db2.gz	BLKXRMYUYHUYOY-HNNXBMFYSA-N	1	1	351.834	2.119	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000818593269	675226719	/nfs/dbraw/zinc/22/67/19/675226719.db2.gz	SJCAXAOOVCFBPT-GFCCVEGCSA-N	1	1	353.806	2.087	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1cc(Br)c(OC)c(OC)c1	ZINC000818593185	675226871	/nfs/dbraw/zinc/22/68/71/675226871.db2.gz	OWMSSRYNDRHKHB-UHFFFAOYSA-N	1	1	369.259	2.151	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1csc(-c2ccc3c(c2)OCO3)n1	ZINC000818612426	675228597	/nfs/dbraw/zinc/22/85/97/675228597.db2.gz	YYAHPSQEPNEWSU-UHFFFAOYSA-N	1	1	357.435	2.224	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819256197	675274483	/nfs/dbraw/zinc/27/44/83/675274483.db2.gz	JVKHNBYRLMQVTG-CABCVRRESA-N	1	1	352.479	2.032	20	30		FEEDMO
C=CCC[N@@H+](C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000615635567	676222449	/nfs/dbraw/zinc/22/24/49/676222449.db2.gz	BYYZQOGZWWGPEZ-UHFFFAOYSA-N	1	1	354.428	2.076	20	30		FEEDMO
C=CCC[N@H+](C)CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000615635567	676222451	/nfs/dbraw/zinc/22/24/51/676222451.db2.gz	BYYZQOGZWWGPEZ-UHFFFAOYSA-N	1	1	354.428	2.076	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000820688118	675378966	/nfs/dbraw/zinc/37/89/66/675378966.db2.gz	KCCVABDVBZXQDG-HZPDHXFCSA-N	1	1	351.491	2.093	20	30		FEEDMO
C=CC1(CC(=O)N2CC[N@H+](C)C[C@H]2CC)CN(C(=O)OC(C)(C)C)C1	ZINC000820728893	675382559	/nfs/dbraw/zinc/38/25/59/675382559.db2.gz	PRPCAYKKSWSOIU-OAHLLOKOSA-N	1	1	351.491	2.352	20	30		FEEDMO
CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O	ZINC000822582940	675493054	/nfs/dbraw/zinc/49/30/54/675493054.db2.gz	IRAXALLOSSSCNA-KDOFPFPSSA-N	1	1	352.479	2.030	20	30		FEEDMO
CC(C)NS(=O)(=O)c1cccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)c1	ZINC000822932013	675517446	/nfs/dbraw/zinc/51/74/46/675517446.db2.gz	UIMJMUKYAGNJTK-AWEZNQCLSA-N	1	1	363.443	2.117	20	30		FEEDMO
C=CC1(CC(=O)N(C)C[C@H]2CCC[N@H+]2C)CN(C(=O)OC(C)(C)C)C1	ZINC000823133514	675531503	/nfs/dbraw/zinc/53/15/03/675531503.db2.gz	NXFHMKGQYNOAGT-OAHLLOKOSA-N	1	1	351.491	2.352	20	30		FEEDMO
C=C[C@](C)(O)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC000616327018	676246134	/nfs/dbraw/zinc/24/61/34/676246134.db2.gz	TYOJQVWRXAFCPK-KRWDZBQOSA-N	1	1	367.287	2.467	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)C(=O)NCc2ccc(C#N)c(Cl)c2)C[C@H](C)O1	ZINC000619826242	676396293	/nfs/dbraw/zinc/39/62/93/676396293.db2.gz	MTPPJSHHFXLNJW-OKILXGFUSA-N	1	1	364.877	2.462	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)C(=O)NCc2ccc(C#N)c(Cl)c2)C[C@H](C)O1	ZINC000619826242	676396295	/nfs/dbraw/zinc/39/62/95/676396295.db2.gz	MTPPJSHHFXLNJW-OKILXGFUSA-N	1	1	364.877	2.462	20	30		FEEDMO
C=CCCC(C)(C)CNC(=O)NC1CC[NH+](CC(=O)NCCC)CC1	ZINC000632869337	677019242	/nfs/dbraw/zinc/01/92/42/677019242.db2.gz	JJVQPFUJQDDKQA-UHFFFAOYSA-N	1	1	352.523	2.269	20	30		FEEDMO
C=CC1CC[NH+](Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1	ZINC000638073267	677139380	/nfs/dbraw/zinc/13/93/80/677139380.db2.gz	UBVJUYZPGFXQOM-UHFFFAOYSA-N	1	1	359.289	2.495	20	30		FEEDMO
C=CCOCCCNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000661065298	678428930	/nfs/dbraw/zinc/42/89/30/678428930.db2.gz	GKDNDGWWEFXMLR-GOSISDBHSA-N	1	1	363.527	2.496	20	30		FEEDMO
C=CCOCCCNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000661065298	678428934	/nfs/dbraw/zinc/42/89/34/678428934.db2.gz	GKDNDGWWEFXMLR-GOSISDBHSA-N	1	1	363.527	2.496	20	30		FEEDMO
C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C1	ZINC000661379702	678472642	/nfs/dbraw/zinc/47/26/42/678472642.db2.gz	HCDXQNOCLOPPLQ-OAHLLOKOSA-N	1	1	365.499	2.130	20	30		FEEDMO
C=CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C1	ZINC000661378516	678472753	/nfs/dbraw/zinc/47/27/53/678472753.db2.gz	HYMTYXKAPUAIPS-HNNXBMFYSA-N	1	1	365.499	2.177	20	30		FEEDMO
COC(=O)[C@H]1CSCC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1	ZINC000840184751	680805576	/nfs/dbraw/zinc/80/55/76/680805576.db2.gz	BKESKVJPLRDFBR-MRXNPFEDSA-N	1	1	356.451	2.217	20	30		FEEDMO
COC(=O)[C@H]1CSCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1	ZINC000840184751	680805577	/nfs/dbraw/zinc/80/55/77/680805577.db2.gz	BKESKVJPLRDFBR-MRXNPFEDSA-N	1	1	356.451	2.217	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cc1c(C)nn(CC(F)(F)F)c1C	ZINC000764623771	680817196	/nfs/dbraw/zinc/81/71/96/680817196.db2.gz	BMGVASJNWXKDCC-CQSZACIVSA-N	1	1	357.376	2.246	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CCSC1	ZINC000669336535	679230006	/nfs/dbraw/zinc/23/00/06/679230006.db2.gz	KPQMOQVJDSRHCB-OAGGEKHMSA-N	1	1	363.531	2.332	20	30		FEEDMO
N#Cc1ccc(NC(=S)NC[C@@H]2CCC[N@@H+]2CCCO)cc1Cl	ZINC000840780475	680842447	/nfs/dbraw/zinc/84/24/47/680842447.db2.gz	TXQLZNUVOVVEPG-AWEZNQCLSA-N	1	1	352.891	2.345	20	30		FEEDMO
C[C@H]1COCCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000676712352	679640540	/nfs/dbraw/zinc/64/05/40/679640540.db2.gz	KTWPGPYEWVNYRQ-AWEZNQCLSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[C@H]1COCCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000676712352	679640541	/nfs/dbraw/zinc/64/05/41/679640541.db2.gz	KTWPGPYEWVNYRQ-AWEZNQCLSA-N	1	1	354.372	2.284	20	30		FEEDMO
CCCCO[C@@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)C1(C)C	ZINC000747628764	679893376	/nfs/dbraw/zinc/89/33/76/679893376.db2.gz	ZWSWEEDNAISNCB-MRXNPFEDSA-N	1	1	370.563	2.144	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(=C)Br)CC2	ZINC001016831581	680064951	/nfs/dbraw/zinc/06/49/51/680064951.db2.gz	AGYJWGKVQGXRBE-QLFBSQMISA-N	1	1	369.303	2.457	20	30		FEEDMO
C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H]2CS(=O)(=O)NC)c1O	ZINC000749970041	680091873	/nfs/dbraw/zinc/09/18/73/680091873.db2.gz	YHQIVFAAFQUUQP-INIZCTEOSA-N	1	1	368.499	2.033	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2nnc(C)s2)C1	ZINC001020168191	680101407	/nfs/dbraw/zinc/10/14/07/680101407.db2.gz	ZSVJCRPTIGYELE-RCXZEQIESA-N	1	1	350.488	2.126	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@H](O)c1ccccc1Br	ZINC000832671971	680163621	/nfs/dbraw/zinc/16/36/21/680163621.db2.gz	HBBMOOIMQIQOKH-DOMZBBRYSA-N	1	1	368.275	2.175	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@H](O)c1ccccc1Br	ZINC000832671971	680163623	/nfs/dbraw/zinc/16/36/23/680163623.db2.gz	HBBMOOIMQIQOKH-DOMZBBRYSA-N	1	1	368.275	2.175	20	30		FEEDMO
C[C@H]1C[N@@H+](C)CC1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000752169773	680226223	/nfs/dbraw/zinc/22/62/23/680226223.db2.gz	YXOVOIWFVFWOIF-NSHDSACASA-N	1	1	365.484	2.293	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](CCOC)C[C@]2(C)C1	ZINC000982631204	680283428	/nfs/dbraw/zinc/28/34/28/680283428.db2.gz	UZISOQXWOUKGCZ-QGZVKYPTSA-N	1	1	350.503	2.175	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCn1cc(Cl)cn1	ZINC001024661607	680298964	/nfs/dbraw/zinc/29/89/64/680298964.db2.gz	JRRDAWJCPMMXLP-BBWFWOEESA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cc(Cl)cn1	ZINC001024661607	680298965	/nfs/dbraw/zinc/29/89/65/680298965.db2.gz	JRRDAWJCPMMXLP-BBWFWOEESA-N	1	1	366.893	2.098	20	30		FEEDMO
CC(C)[N@H+]1CC(=NNS(=O)(=O)c2ccc(Br)cc2)[C@H](C)C1	ZINC000754253309	680345708	/nfs/dbraw/zinc/34/57/08/680345708.db2.gz	CQIYCSQTMJJPFR-LLVKDONJSA-N	1	1	374.304	2.444	20	30		FEEDMO
CC(C)[N@@H+]1CC(=NNS(=O)(=O)c2ccc(Br)cc2)[C@H](C)C1	ZINC000754253309	680345712	/nfs/dbraw/zinc/34/57/12/680345712.db2.gz	CQIYCSQTMJJPFR-LLVKDONJSA-N	1	1	374.304	2.444	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(OC)ns1	ZINC001028195795	680372547	/nfs/dbraw/zinc/37/25/47/680372547.db2.gz	VXXBNBOBHPUVPX-KMFMINBZSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(OC)ns1	ZINC001028195795	680372552	/nfs/dbraw/zinc/37/25/52/680372552.db2.gz	VXXBNBOBHPUVPX-KMFMINBZSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000998045318	680372878	/nfs/dbraw/zinc/37/28/78/680372878.db2.gz	JVCDEYVMYPPPCY-ZNMIVQPWSA-N	1	1	364.408	2.222	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1	ZINC001028602001	680377370	/nfs/dbraw/zinc/37/73/70/680377370.db2.gz	BRHKLOVJYUEHCK-ZACQAIPSSA-N	1	1	367.921	2.358	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1	ZINC001028602001	680377375	/nfs/dbraw/zinc/37/73/75/680377375.db2.gz	BRHKLOVJYUEHCK-ZACQAIPSSA-N	1	1	367.921	2.358	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1	ZINC001028809611	680383189	/nfs/dbraw/zinc/38/31/89/680383189.db2.gz	LJDSKSZWJHUBGO-XCRHUMRWSA-N	1	1	350.409	2.494	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2csnc2OC)C1	ZINC001029845774	680393251	/nfs/dbraw/zinc/39/32/51/680393251.db2.gz	PBYPLQYMGOXNIY-BMFZPTHFSA-N	1	1	365.499	2.023	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2csnc2OC)C1	ZINC001029845774	680393252	/nfs/dbraw/zinc/39/32/52/680393252.db2.gz	PBYPLQYMGOXNIY-BMFZPTHFSA-N	1	1	365.499	2.023	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2csnc2OC)C1	ZINC001029845775	680393442	/nfs/dbraw/zinc/39/34/42/680393442.db2.gz	PBYPLQYMGOXNIY-IMJJTQAJSA-N	1	1	365.499	2.023	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2csnc2OC)C1	ZINC001029845775	680393446	/nfs/dbraw/zinc/39/34/46/680393446.db2.gz	PBYPLQYMGOXNIY-IMJJTQAJSA-N	1	1	365.499	2.023	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ncc(Cl)s2)C1	ZINC001000243843	680424718	/nfs/dbraw/zinc/42/47/18/680424718.db2.gz	FPDLIGQLBXXFMK-UPJWGTAASA-N	1	1	355.891	2.468	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](CC2CCOCC2)C1	ZINC001033837298	680425998	/nfs/dbraw/zinc/42/59/98/680425998.db2.gz	MKXZETYAQBQIGS-QRVBRYPASA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2cc(OC)ns2)C1	ZINC001033955323	680428647	/nfs/dbraw/zinc/42/86/47/680428647.db2.gz	YZBOLDCZOAJVEL-IMJJTQAJSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2cc(OC)ns2)C1	ZINC001033955323	680428649	/nfs/dbraw/zinc/42/86/49/680428649.db2.gz	YZBOLDCZOAJVEL-IMJJTQAJSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001033959595	680429239	/nfs/dbraw/zinc/42/92/39/680429239.db2.gz	GCFUAQXNBMWQAH-ZACQAIPSSA-N	1	1	366.893	2.050	20	30		FEEDMO
C[NH+]1CCN(c2ncc(CN=Nc3nc(C(F)(F)F)cs3)cn2)CC1	ZINC000755770633	680434797	/nfs/dbraw/zinc/43/47/97/680434797.db2.gz	MNPRKXLQFVPWHM-UHFFFAOYSA-N	1	1	371.392	2.150	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCC2CCCC2)CCO1	ZINC001035516408	680449288	/nfs/dbraw/zinc/44/92/88/680449288.db2.gz	REYQVDXJVPUALK-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCC2CCCC2)CCO1	ZINC001035516408	680449289	/nfs/dbraw/zinc/44/92/89/680449289.db2.gz	REYQVDXJVPUALK-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1	ZINC000836336985	680452958	/nfs/dbraw/zinc/45/29/58/680452958.db2.gz	NTCPXFXBKPRNBQ-UHFFFAOYSA-N	1	1	351.372	2.311	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC001039134696	680462270	/nfs/dbraw/zinc/46/22/70/680462270.db2.gz	ULVWATGCVKYQEA-XIRDDKMYSA-N	1	1	356.894	2.103	20	30		FEEDMO
C=C(Br)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@]34C[C@H]3COC4)C2)C1	ZINC001040215287	680469230	/nfs/dbraw/zinc/46/92/30/680469230.db2.gz	FXAJTGNUZOFUMA-XIRDDKMYSA-N	1	1	369.303	2.246	20	30		FEEDMO
C=C(Br)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@]34C[C@H]3COC4)C2)C1	ZINC001040215287	680469232	/nfs/dbraw/zinc/46/92/32/680469232.db2.gz	FXAJTGNUZOFUMA-XIRDDKMYSA-N	1	1	369.303	2.246	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1	ZINC001040312010	680471243	/nfs/dbraw/zinc/47/12/43/680471243.db2.gz	YRARYKRMHLMETR-BMFAXAFESA-N	1	1	368.905	2.105	20	30		FEEDMO
C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1	ZINC001040312010	680471245	/nfs/dbraw/zinc/47/12/45/680471245.db2.gz	YRARYKRMHLMETR-BMFAXAFESA-N	1	1	368.905	2.105	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000836488064	680475714	/nfs/dbraw/zinc/47/57/14/680475714.db2.gz	FQUGTAHSUBOBDL-UHFFFAOYSA-N	1	1	351.372	2.311	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl	ZINC000836486799	680475798	/nfs/dbraw/zinc/47/57/98/680475798.db2.gz	IVOFSNMZPPDHBE-UHFFFAOYSA-N	1	1	371.268	2.186	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2csnc2OC)CC1	ZINC001001850888	680478520	/nfs/dbraw/zinc/47/85/20/680478520.db2.gz	FUNUIFBZXISVAL-CVEARBPZSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2c(C)nn(C)c2Cl)CC1	ZINC001003650432	680537887	/nfs/dbraw/zinc/53/78/87/680537887.db2.gz	TUVHRLKNJODFAL-ZBFHGGJFSA-N	1	1	366.893	2.054	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1	ZINC001046029841	680642500	/nfs/dbraw/zinc/64/25/00/680642500.db2.gz	CSZQDHZCCFTYAZ-BZSNNMDCSA-N	1	1	369.937	2.019	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1	ZINC001046029841	680642502	/nfs/dbraw/zinc/64/25/02/680642502.db2.gz	CSZQDHZCCFTYAZ-BZSNNMDCSA-N	1	1	369.937	2.019	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)C1	ZINC001046065618	680643753	/nfs/dbraw/zinc/64/37/53/680643753.db2.gz	QYMGTFWIIKUYQD-BZUAXINKSA-N	1	1	370.335	2.160	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)C1	ZINC001046065618	680643756	/nfs/dbraw/zinc/64/37/56/680643756.db2.gz	QYMGTFWIIKUYQD-BZUAXINKSA-N	1	1	370.335	2.160	20	30		FEEDMO
C[C@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1	ZINC001046324434	680645477	/nfs/dbraw/zinc/64/54/77/680645477.db2.gz	MBEIWGHRLAIUTR-VDGAXYAQSA-N	1	1	358.869	2.309	20	30		FEEDMO
C[C@]1(NC(=O)[C@]23C[C@H]2COC3)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1	ZINC001046324434	680645481	/nfs/dbraw/zinc/64/54/81/680645481.db2.gz	MBEIWGHRLAIUTR-VDGAXYAQSA-N	1	1	358.869	2.309	20	30		FEEDMO
C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3snc(Cl)c3C#N)C2)C1	ZINC001047310369	680660177	/nfs/dbraw/zinc/66/01/77/680660177.db2.gz	QWBBYJVWMTZEIH-SDDRHHMPSA-N	1	1	367.906	2.317	20	30		FEEDMO
Cc1c(Br)cc(C=NNC2=[NH+]CCN2)cc1Br	ZINC000841661201	680905033	/nfs/dbraw/zinc/90/50/33/680905033.db2.gz	WJYFPSLQMXYRHB-UHFFFAOYSA-N	1	1	360.053	2.403	20	30		FEEDMO
CCCOc1c(Br)cc(C=NNC2=[NH+]CCN2)cc1OC	ZINC000841659953	680905043	/nfs/dbraw/zinc/90/50/43/680905043.db2.gz	ASPCLAHKXWAMRL-UHFFFAOYSA-N	1	1	355.236	2.129	20	30		FEEDMO
C[C@@H](CO)N(C)[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1	ZINC000842544347	680952341	/nfs/dbraw/zinc/95/23/41/680952341.db2.gz	HFFAXXGSJYYYAH-AWEZNQCLSA-N	1	1	360.483	2.293	20	30		FEEDMO
C#C[C@@H](C)[N@H+](C)CC(=O)N(C)CCOc1ccc(Br)cc1	ZINC000769962324	681001713	/nfs/dbraw/zinc/00/17/13/681001713.db2.gz	XKBGCFARDCWIJW-CYBMUJFWSA-N	1	1	353.260	2.240	20	30		FEEDMO
C#C[C@@H](C)[N@@H+](C)CC(=O)N(C)CCOc1ccc(Br)cc1	ZINC000769962324	681001714	/nfs/dbraw/zinc/00/17/14/681001714.db2.gz	XKBGCFARDCWIJW-CYBMUJFWSA-N	1	1	353.260	2.240	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C	ZINC000844402642	681056957	/nfs/dbraw/zinc/05/69/57/681056957.db2.gz	RPVQUPPEEWQMPU-HOTGVXAUSA-N	1	1	351.491	2.141	20	30		FEEDMO
C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)C2)CC1	ZINC001052029067	681071032	/nfs/dbraw/zinc/07/10/32/681071032.db2.gz	XBJJBCDRIUQLGB-KZNAEPCWSA-N	1	1	357.523	2.012	20	30		FEEDMO
Cc1nsc(NCC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)c1C#N	ZINC001053386143	681096799	/nfs/dbraw/zinc/09/67/99/681096799.db2.gz	FUBUFSPAKOVRLZ-YUELXQCFSA-N	1	1	361.515	2.171	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNc1snc(Cl)c1C#N	ZINC001054409158	681107488	/nfs/dbraw/zinc/10/74/88/681107488.db2.gz	OZYTYDXNGPXRLH-IJLUTSLNSA-N	1	1	367.906	2.126	20	30		FEEDMO
C=C[C@H](C)ONC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000845626411	681141975	/nfs/dbraw/zinc/14/19/75/681141975.db2.gz	GRIJMIXTAJYWOL-JQHSSLGASA-N	1	1	352.523	2.471	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Nc3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001059096356	681178619	/nfs/dbraw/zinc/17/86/19/681178619.db2.gz	DSMMWZHQXJXBNE-GMXVVIOVSA-N	1	1	367.906	2.411	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC001059705433	681182463	/nfs/dbraw/zinc/18/24/63/681182463.db2.gz	UCMLMGZBWFHUMG-FVQBIDKESA-N	1	1	369.937	2.460	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCOc2ccc(Br)cc21	ZINC000846228282	681204935	/nfs/dbraw/zinc/20/49/35/681204935.db2.gz	LWTCHFBFJIBDAM-AWEZNQCLSA-N	1	1	365.271	2.387	20	30		FEEDMO
C[C@H]([NH2+][C@@H](CO)c1ccccc1C(F)(F)F)C(=O)NC1(C#N)CCC1	ZINC000933241251	681379210	/nfs/dbraw/zinc/37/92/10/681379210.db2.gz	JSTINJXDBPHGLP-FZMZJTMJSA-N	1	1	355.360	2.279	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)CC1	ZINC000776593669	681413108	/nfs/dbraw/zinc/41/31/08/681413108.db2.gz	YUVJSVYTAAXUNA-UHFFFAOYSA-N	1	1	368.308	2.293	20	30		FEEDMO
C=C(C)[C@H](CO)[N@H+]1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1	ZINC000933827643	681472038	/nfs/dbraw/zinc/47/20/38/681472038.db2.gz	BDMFJKUEVHTVIP-WUJZJPHMSA-N	1	1	354.491	2.462	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@H](OC)c1ccccc1Br	ZINC000848142877	681479485	/nfs/dbraw/zinc/47/94/85/681479485.db2.gz	NOWHKOBUSOKNBU-HNNXBMFYSA-N	1	1	353.260	2.208	20	30		FEEDMO
CC(=NOC1CCCCC1)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1	ZINC000777456484	681495436	/nfs/dbraw/zinc/49/54/36/681495436.db2.gz	BJHUQVGFMFDYTO-UHFFFAOYSA-N	1	1	365.499	2.354	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1CCN(C)CC[N@H+](C)CC1	ZINC000933998710	681495462	/nfs/dbraw/zinc/49/54/62/681495462.db2.gz	OCJUMCRLRTYXJQ-UHFFFAOYSA-N	1	1	362.543	2.082	20	30		FEEDMO
CC(C)NS(=O)(=O)c1ccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)nc1	ZINC000848404604	681535755	/nfs/dbraw/zinc/53/57/55/681535755.db2.gz	MUGXETFTTKUIJJ-INIZCTEOSA-N	1	1	365.503	2.185	20	30		FEEDMO
C=C(Br)C[N@H+]1CCC[C@H](N(C)C(=O)[C@]23C[C@H]2COC3)CC1	ZINC000948393169	681577981	/nfs/dbraw/zinc/57/79/81/681577981.db2.gz	RJJXARHOVFLCCR-DZKIICNBSA-N	1	1	357.292	2.244	20	30		FEEDMO
C=C(Br)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@]23C[C@H]2COC3)CC1	ZINC000948393169	681577984	/nfs/dbraw/zinc/57/79/84/681577984.db2.gz	RJJXARHOVFLCCR-DZKIICNBSA-N	1	1	357.292	2.244	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[NH2+]CCS(=O)(=O)NCC1CCC1	ZINC000778170147	681582002	/nfs/dbraw/zinc/58/20/02/681582002.db2.gz	KPVXAZJWHWDGAI-UHFFFAOYSA-N	1	1	370.902	2.161	20	30		FEEDMO
C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC000948642404	681592102	/nfs/dbraw/zinc/59/21/02/681592102.db2.gz	HFRYWRRCFDGGDC-ZSYWTGECSA-N	1	1	350.503	2.317	20	30		FEEDMO
COCCC1(C=NNC(=S)NCCC[NH+]2CCOCC2)CCCCC1	ZINC000780195612	681803727	/nfs/dbraw/zinc/80/37/27/681803727.db2.gz	DKVCSXMQNVZPDI-UHFFFAOYSA-N	1	1	370.563	2.146	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC000954412555	681816924	/nfs/dbraw/zinc/81/69/24/681816924.db2.gz	LAUOKLAFLDOUAN-LSDHHAIUSA-N	1	1	355.910	2.165	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C(C)(C)C1	ZINC000940912014	682086841	/nfs/dbraw/zinc/08/68/41/682086841.db2.gz	MBLWRKCQBPVUHV-IIAWOOMASA-N	1	1	350.894	2.493	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C(C)(C)C1	ZINC000940912014	682086845	/nfs/dbraw/zinc/08/68/45/682086845.db2.gz	MBLWRKCQBPVUHV-IIAWOOMASA-N	1	1	350.894	2.493	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C(C)(C)C1	ZINC000941041446	682097394	/nfs/dbraw/zinc/09/73/94/682097394.db2.gz	MMLPHPJPVAIQQS-FMKPAKJESA-N	1	1	350.894	2.493	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)C(C)(C)C1	ZINC000941041446	682097402	/nfs/dbraw/zinc/09/74/02/682097402.db2.gz	MMLPHPJPVAIQQS-FMKPAKJESA-N	1	1	350.894	2.493	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](O)P(=O)(OCC)OCC)c1	ZINC000851729483	682114057	/nfs/dbraw/zinc/11/40/57/682114057.db2.gz	BIQPWPHAUQYTBJ-KRWDZBQOSA-N	1	1	368.370	2.123	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](O)P(=O)(OCC)OCC)c1	ZINC000851729483	682114064	/nfs/dbraw/zinc/11/40/64/682114064.db2.gz	BIQPWPHAUQYTBJ-KRWDZBQOSA-N	1	1	368.370	2.123	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CC1CCOCC1	ZINC000969038203	682254781	/nfs/dbraw/zinc/25/47/81/682254781.db2.gz	ZIEJZLAGGVXMAU-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
O=C1OCCN1[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000852437651	682279056	/nfs/dbraw/zinc/27/90/56/682279056.db2.gz	ZMTPXNBGFSNVPS-AWEZNQCLSA-N	1	1	354.328	2.463	20	30		FEEDMO
O=C1OCCN1[C@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000852437651	682279060	/nfs/dbraw/zinc/27/90/60/682279060.db2.gz	ZMTPXNBGFSNVPS-AWEZNQCLSA-N	1	1	354.328	2.463	20	30		FEEDMO
C[C@@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1C[NH+](Cc2ccc(C#N)s2)C1	ZINC000970176223	682287509	/nfs/dbraw/zinc/28/75/09/682287509.db2.gz	BYMMQDZJMCURFX-XLQHLMKVSA-N	1	1	359.495	2.371	20	30		FEEDMO
C[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1C[NH+](Cc2ccc(C#N)s2)C1	ZINC000970193143	682288097	/nfs/dbraw/zinc/28/80/97/682288097.db2.gz	OFGUGRHLSGOYPF-RZAIGCCYSA-N	1	1	359.495	2.371	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]21	ZINC000972339386	682407477	/nfs/dbraw/zinc/40/74/77/682407477.db2.gz	DQIKDBJQUVHJGL-OWCLPIDISA-N	1	1	367.921	2.309	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21	ZINC000972339673	682407486	/nfs/dbraw/zinc/40/74/86/682407486.db2.gz	IMWYWNRBNFDKNA-HUUCEWRRSA-N	1	1	364.877	2.030	20	30		FEEDMO
C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000853475806	682420240	/nfs/dbraw/zinc/42/02/40/682420240.db2.gz	WWVCDZLRAZDCTJ-HOTGVXAUSA-N	1	1	351.491	2.093	20	30		FEEDMO
CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C2	ZINC000926159105	683084819	/nfs/dbraw/zinc/08/48/19/683084819.db2.gz	HURNQFMGODJKAJ-VXNCWWDNSA-N	1	1	361.873	2.421	20	30		FEEDMO
C#CCN1CCN(C(=O)C[N@H+](Cc2ccccc2Cl)CC2CC2)CC1	ZINC000796259133	683146604	/nfs/dbraw/zinc/14/66/04/683146604.db2.gz	DHBJNCJEKPPECP-UHFFFAOYSA-N	1	1	359.901	2.329	20	30		FEEDMO
C#CCN1CCN(C(=O)C[N@@H+](Cc2ccccc2Cl)CC2CC2)CC1	ZINC000796259133	683146607	/nfs/dbraw/zinc/14/66/07/683146607.db2.gz	DHBJNCJEKPPECP-UHFFFAOYSA-N	1	1	359.901	2.329	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1nc(C(F)(F)F)n2c1CCCC2	ZINC000860529508	683256096	/nfs/dbraw/zinc/25/60/96/683256096.db2.gz	HWKBJULPFWMXRZ-LBPRGKRZSA-N	1	1	355.360	2.493	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1nc(C(F)(F)F)n2c1CCCC2	ZINC000860529508	683256101	/nfs/dbraw/zinc/25/61/01/683256101.db2.gz	HWKBJULPFWMXRZ-LBPRGKRZSA-N	1	1	355.360	2.493	20	30		FEEDMO
C#CC[C@H](CO)NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000921701720	683549090	/nfs/dbraw/zinc/54/90/90/683549090.db2.gz	BNPWCLWIWIDMNX-CKEIUWERSA-N	1	1	367.852	2.155	20	30		FEEDMO
C[NH+](C)C1CCN(CCNCc2cc(C#N)ccc2Br)CC1	ZINC000921817418	683582542	/nfs/dbraw/zinc/58/25/42/683582542.db2.gz	SXFGIOJLBHOCHL-UHFFFAOYSA-N	1	1	365.319	2.436	20	30		FEEDMO
C[N@H+]1CCC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)CC1(C)C	ZINC000863079504	683676747	/nfs/dbraw/zinc/67/67/47/683676747.db2.gz	PHONJESVLICZEM-UHFFFAOYSA-N	1	1	367.519	2.431	20	30		FEEDMO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12	ZINC000922242661	683686509	/nfs/dbraw/zinc/68/65/09/683686509.db2.gz	MPYQTWDVIOGFQH-KSZLIROESA-N	1	1	356.495	2.425	20	30		FEEDMO
C#CC1(O)CC[NH+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1	ZINC000931145942	683841065	/nfs/dbraw/zinc/84/10/65/683841065.db2.gz	XDHJFEIBHQNGRX-UHFFFAOYSA-N	1	1	359.857	2.355	20	30		FEEDMO
N#Cc1cccc(Br)c1N1CC[NH+](C[C@H]2CCOC2)CC1	ZINC000865592132	684001898	/nfs/dbraw/zinc/00/18/98/684001898.db2.gz	QFOFEWNWMFFKKC-CYBMUJFWSA-N	1	1	350.260	2.479	20	30		FEEDMO
N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000866994070	684193262	/nfs/dbraw/zinc/19/32/62/684193262.db2.gz	OCFLDBIUJSZOPU-KSSFIOAISA-N	1	1	363.458	2.335	20	30		FEEDMO
C[N@@H+]1C[C@H]2CN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)C[C@H]2C1	ZINC000931281745	684253863	/nfs/dbraw/zinc/25/38/63/684253863.db2.gz	XGHYXXFEPUSCTL-TXEJJXNPSA-N	1	1	354.332	2.482	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2c(F)ccc(Br)c2OC)C1	ZINC000923552869	684304706	/nfs/dbraw/zinc/30/47/06/684304706.db2.gz	DXBDOLGGECJCAS-NSHDSACASA-N	1	1	369.234	2.424	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(F)ccc(Br)c2OC)C1	ZINC000923552869	684304711	/nfs/dbraw/zinc/30/47/11/684304711.db2.gz	DXBDOLGGECJCAS-NSHDSACASA-N	1	1	369.234	2.424	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C3OCCO3)C2)sc2c1CCC2	ZINC000932005799	684387837	/nfs/dbraw/zinc/38/78/37/684387837.db2.gz	WZHOMCGDPWUPAV-GFCCVEGCSA-N	1	1	361.467	2.132	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC[C@H]21	ZINC000867813316	684397418	/nfs/dbraw/zinc/39/74/18/684397418.db2.gz	UXYXSFKPDUHFGE-SMDDNHRTSA-N	1	1	373.400	2.292	20	30		FEEDMO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1nnc([C@H]2CCCO2)s1	ZINC000868050437	684444269	/nfs/dbraw/zinc/44/42/69/684444269.db2.gz	MXPXEFAGNPNKRL-ZIAGYGMSSA-N	1	1	355.423	2.087	20	30		FEEDMO
C=CC[N@@H+](CCc1nnnn1C)Cc1cc(Br)ccc1F	ZINC000878019943	686503309	/nfs/dbraw/zinc/50/33/09/686503309.db2.gz	DCWIFMHVLGTNHH-UHFFFAOYSA-N	1	1	354.227	2.342	20	30		FEEDMO
C=CC[N@H+](CCc1nnnn1C)Cc1cc(Br)ccc1F	ZINC000878019943	686503313	/nfs/dbraw/zinc/50/33/13/686503313.db2.gz	DCWIFMHVLGTNHH-UHFFFAOYSA-N	1	1	354.227	2.342	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21	ZINC000879575783	686860764	/nfs/dbraw/zinc/86/07/64/686860764.db2.gz	OWORMDYGUMGIBS-CZUORRHYSA-N	1	1	358.511	2.463	20	30		FEEDMO
C#CCOCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1	ZINC000880025992	686978043	/nfs/dbraw/zinc/97/80/43/686978043.db2.gz	CUKKOAFOQKRKAF-QWHCGFSZSA-N	1	1	350.381	2.271	20	30		FEEDMO
C#CC[C@@H](CO)NC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1	ZINC000880093342	686997116	/nfs/dbraw/zinc/99/71/16/686997116.db2.gz	SIHDTEPMDWZCKT-ZDUSSCGKSA-N	1	1	358.467	2.396	20	30		FEEDMO
C=CCCc1ccc(S(=O)(=O)NCCCN2CCC[N@H+](C)CC2)cc1	ZINC000882523828	687385211	/nfs/dbraw/zinc/38/52/11/687385211.db2.gz	BYRYFYXWNWFUJH-UHFFFAOYSA-N	1	1	365.543	2.111	20	30		FEEDMO
C#CCC1(O)CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1	ZINC000882523750	687385306	/nfs/dbraw/zinc/38/53/06/687385306.db2.gz	RFOOSNQUURAOKX-SFHVURJKSA-N	1	1	358.507	2.153	20	30		FEEDMO
N#Cc1nc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1Br	ZINC000883079153	687558822	/nfs/dbraw/zinc/55/88/22/687558822.db2.gz	LNYZFAZSTMQVFD-YPMHNXCESA-N	1	1	364.247	2.464	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883113751	687569048	/nfs/dbraw/zinc/56/90/48/687569048.db2.gz	CAEVSPPCKSBOLD-SNVBAGLBSA-N	1	1	352.236	2.274	20	30		FEEDMO
CN(C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)c1ccc(Cl)cc1	ZINC000884231155	687824660	/nfs/dbraw/zinc/82/46/60/687824660.db2.gz	KHULKNWJMQEJPE-VOLNDZDFSA-N	1	1	360.889	2.198	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C(F)(F)F	ZINC000884957416	687975208	/nfs/dbraw/zinc/97/52/08/687975208.db2.gz	PXNFSOQLJDTRKR-QWHCGFSZSA-N	1	1	373.400	2.482	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000885456664	688076823	/nfs/dbraw/zinc/07/68/23/688076823.db2.gz	CUXGWJNUDWZISU-OLZOCXBDSA-N	1	1	353.875	2.459	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000885457842	688078018	/nfs/dbraw/zinc/07/80/18/688078018.db2.gz	XSLWXYUODIPMLV-CABCVRRESA-N	1	1	353.875	2.459	20	30		FEEDMO
C#CC[C@H]1CCN(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1	ZINC000887618496	688462857	/nfs/dbraw/zinc/46/28/57/688462857.db2.gz	JSTUBOYNJYDWQZ-DLBZAZTESA-N	1	1	360.527	2.091	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)N2CCSC[C@H]2c2nccs2)C1	ZINC000890366701	688910822	/nfs/dbraw/zinc/91/08/22/688910822.db2.gz	CIGLNNTUHUTJTR-KBPBESRZSA-N	1	1	350.513	2.040	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCSC[C@H]2c2nccs2)C1	ZINC000890366701	688910823	/nfs/dbraw/zinc/91/08/23/688910823.db2.gz	CIGLNNTUHUTJTR-KBPBESRZSA-N	1	1	350.513	2.040	20	30		FEEDMO
N#Cc1csc(CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)n1	ZINC000893003196	689279341	/nfs/dbraw/zinc/27/93/41/689279341.db2.gz	YZOSQIKMTFLPKO-MRXNPFEDSA-N	1	1	355.467	2.479	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCOC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCO1	ZINC000893384895	689340426	/nfs/dbraw/zinc/34/04/26/689340426.db2.gz	AYZSHUVVPSTJKZ-NSHDSACASA-N	1	1	357.332	2.240	20	30		FEEDMO
N#Cc1cc(Br)cnc1N1CC[NH+](CCc2ccncc2)CC1	ZINC000894842699	689606897	/nfs/dbraw/zinc/60/68/97/689606897.db2.gz	AYCBKSMZJZNACY-UHFFFAOYSA-N	1	1	372.270	2.475	20	30		FEEDMO
N#Cc1csc(CNC(=O)N2CC[NH+](CCc3ccccc3)CC2)n1	ZINC000897302212	690002667	/nfs/dbraw/zinc/00/26/67/690002667.db2.gz	GWZRFNPBIYZOHD-UHFFFAOYSA-N	1	1	355.467	2.085	20	30		FEEDMO
CCOC(=O)[C@H]1[C@H]([NH2+]CC2(C#N)CCC2)CCN1C(=O)OC(C)(C)C	ZINC000903033506	690836467	/nfs/dbraw/zinc/83/64/67/690836467.db2.gz	WAXGVNCMUGRGRI-ZIAGYGMSSA-N	1	1	351.447	2.211	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3c(C#N)sc4ccccc43)C2)C1	ZINC000907199399	691421058	/nfs/dbraw/zinc/42/10/58/691421058.db2.gz	XVVGLODKLRIYEP-QGZVFWFLSA-N	1	1	361.492	2.489	20	30		FEEDMO
C#C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccc(Br)cc1	ZINC000908516404	691692565	/nfs/dbraw/zinc/69/25/65/691692565.db2.gz	IELVHSFCGWCDLF-RDJZCZTQSA-N	1	1	365.271	2.086	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(OC)c(C#N)cn1)C2	ZINC001164808541	720070951	/nfs/dbraw/zinc/07/09/51/720070951.db2.gz	HYSYXBTXLBMQCX-YLJYHZDGSA-N	1	1	356.470	2.147	20	30		FEEDMO
Cc1cnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c(C#N)c1	ZINC001164811704	720213358	/nfs/dbraw/zinc/21/33/58/720213358.db2.gz	JUJXSNJOLFHULE-UHFFFAOYSA-N	1	1	366.469	2.069	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1	ZINC001164811493	720216469	/nfs/dbraw/zinc/21/64/69/720216469.db2.gz	IOXVIIPDFXYAFX-UHFFFAOYSA-N	1	1	366.469	2.069	20	30		FEEDMO
Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1C#N	ZINC001164744445	720622800	/nfs/dbraw/zinc/62/28/00/720622800.db2.gz	SJZPNIRRPQRLCP-KBPBESRZSA-N	1	1	370.844	2.047	20	30		FEEDMO
CC(C)c1ccc(C#N)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164742262	720630806	/nfs/dbraw/zinc/63/08/06/720630806.db2.gz	MJSRXIBFVYPXMV-IAGOWNOFSA-N	1	1	364.453	2.209	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(C(C)C)ccc3C#N)CC[C@H]2C1	ZINC001164854896	720837229	/nfs/dbraw/zinc/83/72/29/720837229.db2.gz	SRUXYDDBGZPOIQ-HKUYNNGSSA-N	1	1	358.486	2.250	20	30		FEEDMO
Cc1cc(C#N)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1C	ZINC001164865965	721076420	/nfs/dbraw/zinc/07/64/20/721076420.db2.gz	QLFJPBSOLTZPTQ-WOJBJXKFSA-N	1	1	363.465	2.445	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Cl)cc(C#N)n4)C[C@H]3C2)cn1	ZINC001164764870	721112294	/nfs/dbraw/zinc/11/22/94/721112294.db2.gz	IGPDLYWSYDTBSU-LSDHHAIUSA-N	1	1	356.861	2.298	20	30		FEEDMO
N#Cc1cc2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)ccc2[nH]1	ZINC001164880680	721135281	/nfs/dbraw/zinc/13/52/81/721135281.db2.gz	WZGMFVVAESZNMB-ROUUACIJSA-N	1	1	374.448	2.309	20	30		FEEDMO
Cc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1CC#N	ZINC001164880934	721155791	/nfs/dbraw/zinc/15/57/91/721155791.db2.gz	XWMRUFATBLHSFS-WOJBJXKFSA-N	1	1	363.465	2.331	20	30		FEEDMO
Cc1ccc(CC#N)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164877638	721156547	/nfs/dbraw/zinc/15/65/47/721156547.db2.gz	PKRQYJKBGIVVNL-UXHICEINSA-N	1	1	363.465	2.331	20	30		FEEDMO
Cc1nc(Cl)nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1C#N	ZINC001164781762	721411217	/nfs/dbraw/zinc/41/12/17/721411217.db2.gz	DTSIAHFGXCVWKG-RYUDHWBXSA-N	1	1	360.874	2.335	20	30		FEEDMO
N#Cc1nc(Cl)cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164897210	721519784	/nfs/dbraw/zinc/51/97/84/721519784.db2.gz	FIXFYLQWBOOFMY-HIFRSBDPSA-N	1	1	373.819	2.483	20	30		FEEDMO
N#Cc1cnc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164898532	721521084	/nfs/dbraw/zinc/52/10/84/721521084.db2.gz	IIOJWRJGVDQDPR-GDBMZVCRSA-N	1	1	373.819	2.483	20	30		FEEDMO
N#Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)c1	ZINC001164898161	721523534	/nfs/dbraw/zinc/52/35/34/721523534.db2.gz	IDBYGMBIOWKUBR-HKUYNNGSSA-N	1	1	363.396	2.306	20	30		FEEDMO
N#Cc1c(F)cccc1-n1ccc(NC(=O)NCC[N@@H+]2CC=CCC2)n1	ZINC000517662779	887610204	/nfs/dbraw/zinc/61/02/04/887610204.db2.gz	UDRUPJJHLJGVQY-UHFFFAOYSA-N	1	1	354.389	2.266	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1	ZINC000024370907	539730137	/nfs/dbraw/zinc/73/01/37/539730137.db2.gz	LQOVUXAFSMPTSG-LLVKDONJSA-N	1	1	354.248	2.281	20	30		FEEDMO
C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)Cc1cccc(C#N)c1	ZINC000026328121	539783622	/nfs/dbraw/zinc/78/36/22/539783622.db2.gz	UDURQCHYBIMBJZ-HNNXBMFYSA-N	1	1	350.422	2.405	20	30		FEEDMO
C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000026328121	539783627	/nfs/dbraw/zinc/78/36/27/539783627.db2.gz	UDURQCHYBIMBJZ-HNNXBMFYSA-N	1	1	350.422	2.405	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[NH+]2CCN(C(=O)c3ccccc3)CC2)c1	ZINC000026226147	539781375	/nfs/dbraw/zinc/78/13/75/539781375.db2.gz	FGVDTEDJIHUDFJ-UHFFFAOYSA-N	1	1	362.433	2.345	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1	ZINC000027571431	539810098	/nfs/dbraw/zinc/81/00/98/539810098.db2.gz	LDJLWXRVXVAMFS-OXQOHEQNSA-N	1	1	356.470	2.392	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1	ZINC000027571431	539810101	/nfs/dbraw/zinc/81/01/01/539810101.db2.gz	LDJLWXRVXVAMFS-OXQOHEQNSA-N	1	1	356.470	2.392	20	30		FEEDMO
C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CCOCCC#N	ZINC000549938819	674074068	/nfs/dbraw/zinc/07/40/68/674074068.db2.gz	MCEAEGIUTLDBHF-HNNXBMFYSA-N	1	1	351.472	2.150	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000029780908	539864422	/nfs/dbraw/zinc/86/44/22/539864422.db2.gz	UTHIDLZSWGANJV-BZUAXINKSA-N	1	1	359.470	2.330	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000044582441	540131765	/nfs/dbraw/zinc/13/17/65/540131765.db2.gz	QOQIQNZBTCDRCK-IYBDPMFKSA-N	1	1	359.470	2.430	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)NCCC[NH+]3CCCC3)CC2)cc1	ZINC000045121920	540204051	/nfs/dbraw/zinc/20/40/51/540204051.db2.gz	RJCLWTYIQJCMSR-UHFFFAOYSA-N	1	1	369.513	2.261	20	30		FEEDMO
CCc1cc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n2ncnc2n1	ZINC000051502357	540436134	/nfs/dbraw/zinc/43/61/34/540436134.db2.gz	DFKCDYKKQNVOJP-UHFFFAOYSA-N	1	1	361.453	2.271	20	30		FEEDMO
Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000055266138	540641931	/nfs/dbraw/zinc/64/19/31/540641931.db2.gz	AWUCIETXXZJTAQ-UHFFFAOYSA-N	1	1	372.372	2.451	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1	ZINC000056562143	540733791	/nfs/dbraw/zinc/73/37/91/540733791.db2.gz	BZVULVXCZVWUQB-MRXNPFEDSA-N	1	1	360.458	2.435	20	30		FEEDMO
C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCOc1ccc(C#N)cc1	ZINC000057842860	540819179	/nfs/dbraw/zinc/81/91/79/540819179.db2.gz	SAEVQENPBCVBTQ-AWEZNQCLSA-N	1	1	359.451	2.277	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+]([C@H](C)c2ccc(OC(F)F)cc2)CC1	ZINC000064139712	541194894	/nfs/dbraw/zinc/19/48/94/541194894.db2.gz	JJJPZQKRFDSVNT-CQSZACIVSA-N	1	1	353.413	2.269	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@H](O)COc2ccc(F)cc2)CC1	ZINC000064633120	541213277	/nfs/dbraw/zinc/21/32/77/541213277.db2.gz	FGPDCIJSNOTNFR-SFHVURJKSA-N	1	1	370.428	2.044	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+](C[C@H](O)c2cc(F)ccc2F)CC1	ZINC000064634766	541213751	/nfs/dbraw/zinc/21/37/51/541213751.db2.gz	YCZNHGJOQKALLU-SFHVURJKSA-N	1	1	358.392	2.477	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@H](O)c2cc(F)ccc2F)CC1	ZINC000064634766	541213756	/nfs/dbraw/zinc/21/37/56/541213756.db2.gz	YCZNHGJOQKALLU-SFHVURJKSA-N	1	1	358.392	2.477	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)CC1	ZINC000068445597	541593580	/nfs/dbraw/zinc/59/35/80/541593580.db2.gz	FLSQFXKNLGNVEG-FQEVSTJZSA-N	1	1	351.450	2.118	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)COc1ccccc1C#N	ZINC000247392876	549328444	/nfs/dbraw/zinc/32/84/44/549328444.db2.gz	ZUTJQBFXYDPZKL-VQIMIIECSA-N	1	1	364.449	2.359	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000070975971	541756204	/nfs/dbraw/zinc/75/62/04/541756204.db2.gz	ZEBYNLXFEZSEDR-SFHVURJKSA-N	1	1	370.453	2.029	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	ZINC000073721189	541990793	/nfs/dbraw/zinc/99/07/93/541990793.db2.gz	GXAPKFCJZNUJJU-RBUKOAKNSA-N	1	1	358.486	2.436	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2nc3ccccc3o2)CC1	ZINC000073882177	542010906	/nfs/dbraw/zinc/01/09/06/542010906.db2.gz	NMNDAXBDSJCKAJ-ZDUSSCGKSA-N	1	1	356.426	2.408	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[NH+]3CCC(C(=O)N4CCCC4)CC3)o2)cc1	ZINC000075587646	542190647	/nfs/dbraw/zinc/19/06/47/542190647.db2.gz	KHRFWLGRXIZCCW-UHFFFAOYSA-N	1	1	365.437	2.443	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCC)C1	ZINC000076660052	542308107	/nfs/dbraw/zinc/30/81/07/542308107.db2.gz	IEARKCSKVVDGSU-MRXNPFEDSA-N	1	1	372.469	2.086	20	30		FEEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000080446215	542590283	/nfs/dbraw/zinc/59/02/83/542590283.db2.gz	JZJHPBDLKOTWSS-GOSISDBHSA-N	1	1	369.513	2.139	20	30		FEEDMO
CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000085824083	542732067	/nfs/dbraw/zinc/73/20/67/542732067.db2.gz	BJGCNRXCPQWYHH-NZSAHSFTSA-N	1	1	361.511	2.430	20	30		FEEDMO
CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000085824083	542732070	/nfs/dbraw/zinc/73/20/70/542732070.db2.gz	BJGCNRXCPQWYHH-NZSAHSFTSA-N	1	1	361.511	2.430	20	30		FEEDMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N(C)[C@H](C)CC#N)cc2)CC1	ZINC000086303029	542735841	/nfs/dbraw/zinc/73/58/41/542735841.db2.gz	YWIDFPFUCBBZFM-MRXNPFEDSA-N	1	1	371.485	2.159	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000092616969	542875796	/nfs/dbraw/zinc/87/57/96/542875796.db2.gz	STLINZYYWLEJFQ-FQEVSTJZSA-N	1	1	354.498	2.343	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](Cc2ccccc2)C2CC2)CC1	ZINC000092616969	542875798	/nfs/dbraw/zinc/87/57/98/542875798.db2.gz	STLINZYYWLEJFQ-FQEVSTJZSA-N	1	1	354.498	2.343	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(CC)CC3)C2)cc1OC	ZINC000093133054	542910369	/nfs/dbraw/zinc/91/03/69/542910369.db2.gz	BIONJQAQXLCZPE-LJQANCHMSA-N	1	1	359.514	2.472	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(CC)CC3)C2)cc1OC	ZINC000093133054	542910371	/nfs/dbraw/zinc/91/03/71/542910371.db2.gz	BIONJQAQXLCZPE-LJQANCHMSA-N	1	1	359.514	2.472	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000101910267	543048378	/nfs/dbraw/zinc/04/83/78/543048378.db2.gz	BCRIKTCOYUJZTB-IEBWSBKVSA-N	1	1	368.481	2.148	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000101910267	543048379	/nfs/dbraw/zinc/04/83/79/543048379.db2.gz	BCRIKTCOYUJZTB-IEBWSBKVSA-N	1	1	368.481	2.148	20	30		FEEDMO
COc1ccccc1[C@@H](CNS(=O)(=O)CCCCC#N)[NH+]1CCCC1	ZINC000104107384	543123637	/nfs/dbraw/zinc/12/36/37/543123637.db2.gz	RRFRGZUMNAQFBF-QGZVFWFLSA-N	1	1	365.499	2.445	20	30		FEEDMO
C[N@@H+](CCNC(=O)N1CCCN(c2ncccc2C#N)CC1)C1CCCC1	ZINC000105294964	543169492	/nfs/dbraw/zinc/16/94/92/543169492.db2.gz	SGMKGRUYSCBDEE-UHFFFAOYSA-N	1	1	370.501	2.049	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCn4cnnc4C3)sc2C1	ZINC000106167843	543211286	/nfs/dbraw/zinc/21/12/86/543211286.db2.gz	IPXJLVLOZBWSCW-LBPRGKRZSA-N	1	1	370.482	2.180	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCn4cnnc4C3)sc2C1	ZINC000106167843	543211287	/nfs/dbraw/zinc/21/12/87/543211287.db2.gz	IPXJLVLOZBWSCW-LBPRGKRZSA-N	1	1	370.482	2.180	20	30		FEEDMO
C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000108590236	543296132	/nfs/dbraw/zinc/29/61/32/543296132.db2.gz	LEUOZZALGBERSD-FQEVSTJZSA-N	1	1	369.513	2.117	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000108590236	543296134	/nfs/dbraw/zinc/29/61/34/543296134.db2.gz	LEUOZZALGBERSD-FQEVSTJZSA-N	1	1	369.513	2.117	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC([C@H](C)O)CC1	ZINC000111288372	543393049	/nfs/dbraw/zinc/39/30/49/543393049.db2.gz	AZPNYIQAWHUYFV-CVEARBPZSA-N	1	1	359.470	2.423	20	30		FEEDMO
COCC[N@@H+](C)CCNC(=O)c1cccc(COc2ccccc2C#N)c1	ZINC000114685416	543529777	/nfs/dbraw/zinc/52/97/77/543529777.db2.gz	MQMKYLNLUNIWPH-UHFFFAOYSA-N	1	1	367.449	2.445	20	30		FEEDMO
C=C(C)C[N@H+](CC)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1	ZINC000114712495	543531063	/nfs/dbraw/zinc/53/10/63/543531063.db2.gz	FLMPJZGMCNZCDZ-UHFFFAOYSA-N	1	1	357.498	2.164	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1	ZINC000115533764	543571611	/nfs/dbraw/zinc/57/16/11/543571611.db2.gz	XAODBFSAOIRDPX-FQEVSTJZSA-N	1	1	366.440	2.432	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1	ZINC000115533764	543571613	/nfs/dbraw/zinc/57/16/13/543571613.db2.gz	XAODBFSAOIRDPX-FQEVSTJZSA-N	1	1	366.440	2.432	20	30		FEEDMO
N#Cc1ccc([C@@H](NCC2([NH+]3CCSCC3)CCCC2)C(N)=O)cc1	ZINC000115596898	543576971	/nfs/dbraw/zinc/57/69/71/543576971.db2.gz	FLMPCFJJZOQILM-QGZVFWFLSA-N	1	1	358.511	2.036	20	30		FEEDMO
Cc1ccc(OC2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)cc1	ZINC000116883782	543618287	/nfs/dbraw/zinc/61/82/87/543618287.db2.gz	WEHLTVDKLWWORP-UHFFFAOYSA-N	1	1	354.454	2.494	20	30		FEEDMO
C=CCOc1ccccc1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000119893068	543673354	/nfs/dbraw/zinc/67/33/54/543673354.db2.gz	UGMAFBUXWNUUFJ-LJQANCHMSA-N	1	1	366.461	2.400	20	30		FEEDMO
COCCCOC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000122708848	543718707	/nfs/dbraw/zinc/71/87/07/543718707.db2.gz	YNOYVNFKOPDZBN-MRXNPFEDSA-N	1	1	351.491	2.235	20	30		FEEDMO
Cn1cc(C[NH+]2CCN(c3ncccc3C#N)CC2)c(-c2ccncc2)n1	ZINC000122959644	543734297	/nfs/dbraw/zinc/73/42/97/543734297.db2.gz	JUFVJUTYVGDJRU-UHFFFAOYSA-N	1	1	359.437	2.071	20	30		FEEDMO
N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c(F)c1	ZINC000125210544	543868098	/nfs/dbraw/zinc/86/80/98/543868098.db2.gz	LIPRUCYTJXWOLR-LBPRGKRZSA-N	1	1	355.410	2.132	20	30		FEEDMO
N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c(F)c1	ZINC000125210544	543868100	/nfs/dbraw/zinc/86/81/00/543868100.db2.gz	LIPRUCYTJXWOLR-LBPRGKRZSA-N	1	1	355.410	2.132	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F	ZINC000126016805	543913870	/nfs/dbraw/zinc/91/38/70/543913870.db2.gz	FWQSPKFTSSAADU-STQMWFEESA-N	1	1	360.376	2.068	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)COc1ccccc1C(F)(F)F	ZINC000126016805	543913874	/nfs/dbraw/zinc/91/38/74/543913874.db2.gz	FWQSPKFTSSAADU-STQMWFEESA-N	1	1	360.376	2.068	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000126212597	543924609	/nfs/dbraw/zinc/92/46/09/543924609.db2.gz	ZOEADNSSCYPLRA-URTYCYGZSA-N	1	1	362.518	2.154	20	30		FEEDMO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000128094029	544032204	/nfs/dbraw/zinc/03/22/04/544032204.db2.gz	KMKCVVWICOVKLQ-UXLLHSPISA-N	1	1	372.469	2.043	20	30		FEEDMO
CC[C@@H](CC#N)NC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000128094029	544032205	/nfs/dbraw/zinc/03/22/05/544032205.db2.gz	KMKCVVWICOVKLQ-UXLLHSPISA-N	1	1	372.469	2.043	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2cccc(Br)c2)CC1	ZINC000127414185	543991485	/nfs/dbraw/zinc/99/14/85/543991485.db2.gz	OTXBJKNXZJGULD-CQSZACIVSA-N	1	1	364.287	2.417	20	30		FEEDMO
CC1CC[NH+](CCCNS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000128406525	544050926	/nfs/dbraw/zinc/05/09/26/544050926.db2.gz	ZYPDNLNMMZDRDV-UHFFFAOYSA-N	1	1	357.426	2.237	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCCn1cc[nH+]c1C	ZINC000129855273	544129503	/nfs/dbraw/zinc/12/95/03/544129503.db2.gz	WXXWPRPETAMWQX-UHFFFAOYSA-N	1	1	356.474	2.448	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[NH+]1CCC(N(CCC)C(=O)c2cccs2)CC1	ZINC000132095560	544218689	/nfs/dbraw/zinc/21/86/89/544218689.db2.gz	PHFQJOWAMHHITH-HNNXBMFYSA-N	1	1	361.511	2.203	20	30		FEEDMO
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)[C@H](C)CO)cc1	ZINC000132139155	544220711	/nfs/dbraw/zinc/22/07/11/544220711.db2.gz	HWJHHXMRFJZMEU-CYBMUJFWSA-N	1	1	370.453	2.226	20	30		FEEDMO
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)[C@H](C)CO)cc1	ZINC000132139155	544220713	/nfs/dbraw/zinc/22/07/13/544220713.db2.gz	HWJHHXMRFJZMEU-CYBMUJFWSA-N	1	1	370.453	2.226	20	30		FEEDMO
C[C@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)CN1CC[NH+](C)CC1	ZINC000133827338	544284585	/nfs/dbraw/zinc/28/45/85/544284585.db2.gz	YJOXCLCYYXAATE-MJGOQNOKSA-N	1	1	357.502	2.214	20	30		FEEDMO
COC(=O)[C@@H](O)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000135351286	544343108	/nfs/dbraw/zinc/34/31/08/544343108.db2.gz	CVQSMKVMOBHGHQ-INIZCTEOSA-N	1	1	355.356	2.303	20	30		FEEDMO
CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H]1CCC[N@@H+](C)C1	ZINC000151133108	544509036	/nfs/dbraw/zinc/50/90/36/544509036.db2.gz	GULNTBRHRJGPQL-SFHVURJKSA-N	1	1	356.470	2.266	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[N@H+]1C1CC1	ZINC000151794379	544581574	/nfs/dbraw/zinc/58/15/74/544581574.db2.gz	ALOYNEDUMLPWRP-ZBFHGGJFSA-N	1	1	370.453	2.049	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1	ZINC000151862250	544588821	/nfs/dbraw/zinc/58/88/21/544588821.db2.gz	HASRZJVANRWIGA-ZFWWWQNUSA-N	1	1	370.453	2.025	20	30		FEEDMO
CC[C@@H](NC(=O)c1cc(C#N)cn1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000152319583	544638988	/nfs/dbraw/zinc/63/89/88/544638988.db2.gz	CZCPBSIGQYEGGJ-UYAOXDASSA-N	1	1	366.465	2.306	20	30		FEEDMO
CC[C@@H](NC(=O)c1cc(C#N)cn1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000152319583	544638990	/nfs/dbraw/zinc/63/89/90/544638990.db2.gz	CZCPBSIGQYEGGJ-UYAOXDASSA-N	1	1	366.465	2.306	20	30		FEEDMO
CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000153341436	544763281	/nfs/dbraw/zinc/76/32/81/544763281.db2.gz	BGWZAXUIKGGWCO-ZDUSSCGKSA-N	1	1	354.458	2.318	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Br)cc2C#N)C[C@H](C)O1	ZINC000154122119	544866908	/nfs/dbraw/zinc/86/69/08/544866908.db2.gz	WCIBCZIQKSFCDO-ZOWXZIJZSA-N	1	1	369.259	2.170	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Br)cc2C#N)C[C@H](C)O1	ZINC000154122119	544866911	/nfs/dbraw/zinc/86/69/11/544866911.db2.gz	WCIBCZIQKSFCDO-ZOWXZIJZSA-N	1	1	369.259	2.170	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[N@H+]1CCC[C@H](C)C1	ZINC000154511978	544916070	/nfs/dbraw/zinc/91/60/70/544916070.db2.gz	UCHXRLDOWJZISS-STQMWFEESA-N	1	1	362.861	2.387	20	30		FEEDMO
CCC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000155054774	544982111	/nfs/dbraw/zinc/98/21/11/544982111.db2.gz	ZFILWMHLZVTBPO-UHFFFAOYSA-N	1	1	356.470	2.371	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNc3nccc(C#N)c3Cl)cc2)CC1	ZINC000553279779	674249894	/nfs/dbraw/zinc/24/98/94/674249894.db2.gz	GVRGMNFZXSCVCM-UHFFFAOYSA-N	1	1	355.873	2.966	20	30		FEEDMO
C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1ccc(C#N)cc1	ZINC000181964479	327755038	/nfs/dbraw/zinc/75/50/38/327755038.db2.gz	XMSMMWDLLNMCNR-OAHLLOKOSA-N	1	1	373.478	2.022	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[NH+](CCC(C)(C)C)CC1	ZINC000185492036	327919139	/nfs/dbraw/zinc/91/91/39/327919139.db2.gz	KTTDHBBBYUYQHT-UHFFFAOYSA-N	1	1	365.499	2.309	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)c3cccc(F)c3C#N)cc2)CC1	ZINC000188274462	328077310	/nfs/dbraw/zinc/07/73/10/328077310.db2.gz	HIYWCWULZOIMBW-UHFFFAOYSA-N	1	1	366.440	2.375	20	30		FEEDMO
C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O	ZINC000188638504	328100622	/nfs/dbraw/zinc/10/06/22/328100622.db2.gz	OHKRTVWSLWXCMZ-HNNXBMFYSA-N	1	1	359.470	2.019	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000190148836	328190997	/nfs/dbraw/zinc/19/09/97/328190997.db2.gz	UOTIJNQLUPORES-AWEZNQCLSA-N	1	1	360.458	2.266	20	30		FEEDMO
C[C@@H](CNC(=O)Cc1ccc(C#N)cc1)[NH+]1CCN(c2ccccc2)CC1	ZINC000194858984	328443827	/nfs/dbraw/zinc/44/38/27/328443827.db2.gz	CNKXNQOGVFAFAL-SFHVURJKSA-N	1	1	362.477	2.428	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1	ZINC000048767573	324673102	/nfs/dbraw/zinc/67/31/02/324673102.db2.gz	JSFGMMYRJZHYJH-MRXNPFEDSA-N	1	1	352.394	2.043	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccc(-c2ccccc2C#N)cc1)N1CC[NH+](C)CC1	ZINC000091101394	325374918	/nfs/dbraw/zinc/37/49/18/325374918.db2.gz	ZJTGFXOEFXHLSR-KRWDZBQOSA-N	1	1	362.477	2.477	20	30		FEEDMO
CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCC[N@@H+](C)C2CCCCC2)n1	ZINC000091194028	325378296	/nfs/dbraw/zinc/37/82/96/325378296.db2.gz	QLPUYCYTDRKPLC-UHFFFAOYSA-N	1	1	374.489	2.045	20	30		FEEDMO
C[C@@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[NH+]1CCSCC1	ZINC000092046211	325401499	/nfs/dbraw/zinc/40/14/99/325401499.db2.gz	CECSBVRLLFIOCX-OOHWJJMZSA-N	1	1	374.510	2.197	20	30		FEEDMO
N#Cc1cccc(OCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1	ZINC000118866366	326110148	/nfs/dbraw/zinc/11/01/48/326110148.db2.gz	GHCPNANDIWYMSY-OAHLLOKOSA-N	1	1	353.382	2.427	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](Cn3ccnn3)C2)cc1Cl	ZINC000119202204	326136811	/nfs/dbraw/zinc/13/68/11/326136811.db2.gz	OCCBIIDRYHXWBW-ZDUSSCGKSA-N	1	1	358.833	2.154	20	30		FEEDMO
N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1	ZINC000150812028	326668563	/nfs/dbraw/zinc/66/85/63/326668563.db2.gz	QHFBEMVPMYEHSW-UHFFFAOYSA-N	1	1	366.421	2.492	20	30		FEEDMO
CCN(CC)C(=O)C1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000153617466	326737909	/nfs/dbraw/zinc/73/79/09/326737909.db2.gz	NUWXZLNOPJPGEH-IBGZPJMESA-N	1	1	368.481	2.244	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000162123976	327017615	/nfs/dbraw/zinc/01/76/15/327017615.db2.gz	SCBKOXRCKUBSIA-LBPRGKRZSA-N	1	1	361.389	2.340	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NO[C@H]3CCCCO3)CC2)cc1	ZINC000166589896	327082512	/nfs/dbraw/zinc/08/25/12/327082512.db2.gz	PCXOXTOJCZZRCL-SFHVURJKSA-N	1	1	358.442	2.234	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NO[C@H]3CCCCO3)CC2)cc1	ZINC000166589896	327082513	/nfs/dbraw/zinc/08/25/13/327082513.db2.gz	PCXOXTOJCZZRCL-SFHVURJKSA-N	1	1	358.442	2.234	20	30		FEEDMO
CC(C)[C@H](C)NC(=O)C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000170645361	327090377	/nfs/dbraw/zinc/09/03/77/327090377.db2.gz	WHKNBTMXWAQGKO-HNNXBMFYSA-N	1	1	356.470	2.369	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1	ZINC000171128381	327119784	/nfs/dbraw/zinc/11/97/84/327119784.db2.gz	XHCDOPDZYJDAKW-UHFFFAOYSA-N	1	1	360.421	2.419	20	30		FEEDMO
C[C@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)CN1CC[NH+](C)CC1	ZINC000171149492	327120980	/nfs/dbraw/zinc/12/09/80/327120980.db2.gz	ABDUNMIVPQEYPJ-OAHLLOKOSA-N	1	1	360.506	2.120	20	30		FEEDMO
CN(C)CC[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1	ZINC000171301860	327130556	/nfs/dbraw/zinc/13/05/56/327130556.db2.gz	ZRYOINWYTGDATQ-UHFFFAOYSA-N	1	1	369.513	2.258	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N2CCCN(c3ccccc3C#N)CC2)C1	ZINC000171768084	327160188	/nfs/dbraw/zinc/16/01/88/327160188.db2.gz	HDHQCJXPGGEOED-QGZVFWFLSA-N	1	1	355.486	2.122	20	30		FEEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000172841774	327221909	/nfs/dbraw/zinc/22/19/09/327221909.db2.gz	PSTIUIRZVNEHGR-QGZVFWFLSA-N	1	1	366.469	2.273	20	30		FEEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000172841780	327221943	/nfs/dbraw/zinc/22/19/43/327221943.db2.gz	PSTIUIRZVNEHGR-KRWDZBQOSA-N	1	1	366.469	2.273	20	30		FEEDMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000174039570	327303159	/nfs/dbraw/zinc/30/31/59/327303159.db2.gz	BTNXZVQCORBSFC-QGZVFWFLSA-N	1	1	370.478	2.096	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCOc2cccc(C#N)c2)cc1	ZINC000174294249	327317964	/nfs/dbraw/zinc/31/79/64/327317964.db2.gz	BBINEXXVMUSCBL-UHFFFAOYSA-N	1	1	373.478	2.156	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCOc2cccc(C#N)c2)cc1	ZINC000174294249	327317965	/nfs/dbraw/zinc/31/79/65/327317965.db2.gz	BBINEXXVMUSCBL-UHFFFAOYSA-N	1	1	373.478	2.156	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)NCc3cccc(C#N)c3)CC2)nc(C)[nH+]1	ZINC000175753636	327410616	/nfs/dbraw/zinc/41/06/16/327410616.db2.gz	MTMOBVGAXZKLIW-UHFFFAOYSA-N	1	1	364.453	2.433	20	30		FEEDMO
Cc1oc(NC(=O)CN2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c(C#N)c1C	ZINC000246273115	328604373	/nfs/dbraw/zinc/60/43/73/328604373.db2.gz	MVEULBOWDRPJGT-CKEIUWERSA-N	1	1	374.485	2.280	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCOCC3CC3)CC2)cc1	ZINC000264500804	329029955	/nfs/dbraw/zinc/02/99/55/329029955.db2.gz	PUTYFZVJTDWFDA-UHFFFAOYSA-N	1	1	356.470	2.202	20	30		FEEDMO
CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C)C(=O)Nc1ccccc1C#N)CC2	ZINC000266076626	329187948	/nfs/dbraw/zinc/18/79/48/329187948.db2.gz	XVQBPKKWRGDUKW-JCGIZDLHSA-N	1	1	357.454	2.137	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000266079625	329188163	/nfs/dbraw/zinc/18/81/63/329188163.db2.gz	KLUVYUGQDWHDQK-UHFFFAOYSA-N	1	1	365.481	2.487	20	30		FEEDMO
COC(=O)[C@H]1CC12CC[NH+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2	ZINC000266508530	329230987	/nfs/dbraw/zinc/23/09/87/329230987.db2.gz	CNZCZPOBYVBVKS-OAHLLOKOSA-N	1	1	352.394	2.383	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1	ZINC000267953710	329371383	/nfs/dbraw/zinc/37/13/83/329371383.db2.gz	SBBRBHBDEQYZIP-APWZRJJASA-N	1	1	367.497	2.011	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000268171935	329393336	/nfs/dbraw/zinc/39/33/36/329393336.db2.gz	QVHVISKJYGQHCX-BEFAXECRSA-N	1	1	356.470	2.199	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C	ZINC000268171942	329393340	/nfs/dbraw/zinc/39/33/40/329393340.db2.gz	QVHVISKJYGQHCX-KXBFYZLASA-N	1	1	356.470	2.199	20	30		FEEDMO
N#Cc1cccc(OCCC[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1	ZINC000275087754	330009172	/nfs/dbraw/zinc/00/91/72/330009172.db2.gz	GYKZYYRROQSEOS-CQSZACIVSA-N	1	1	355.360	2.328	20	30		FEEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000275418909	330046715	/nfs/dbraw/zinc/04/67/15/330046715.db2.gz	MDARWMFSBTTWIG-CQSZACIVSA-N	1	1	362.861	2.483	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCn1cc(Br)cn1	ZINC000554749079	674334624	/nfs/dbraw/zinc/33/46/24/674334624.db2.gz	KGDOEHPWOYLVLA-CYBMUJFWSA-N	1	1	357.296	2.391	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCn1cc(Br)cn1	ZINC000554749079	674334626	/nfs/dbraw/zinc/33/46/26/674334626.db2.gz	KGDOEHPWOYLVLA-CYBMUJFWSA-N	1	1	357.296	2.391	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)Nc2cnn(C)c2)[C@@H]1c1cnn(C)c1	ZINC000328628769	521613771	/nfs/dbraw/zinc/61/37/71/521613771.db2.gz	OBXASFPZUSREBZ-WMLDXEAASA-N	1	1	359.478	2.104	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000158321535	545847375	/nfs/dbraw/zinc/84/73/75/545847375.db2.gz	PDDDHYOIZOKOOE-ZDUSSCGKSA-N	1	1	359.451	2.407	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000158321535	545847380	/nfs/dbraw/zinc/84/73/80/545847380.db2.gz	PDDDHYOIZOKOOE-ZDUSSCGKSA-N	1	1	359.451	2.407	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000164287938	546150387	/nfs/dbraw/zinc/15/03/87/546150387.db2.gz	VJFKTEULSKXSFG-CALCHBBNSA-N	1	1	371.481	2.435	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000164287938	546150391	/nfs/dbraw/zinc/15/03/91/546150391.db2.gz	VJFKTEULSKXSFG-CALCHBBNSA-N	1	1	371.481	2.435	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(NC(=O)c2ccoc2)CC1	ZINC000166383572	546155499	/nfs/dbraw/zinc/15/54/99/546155499.db2.gz	DGBGSJYGHMVPNL-HNNXBMFYSA-N	1	1	372.469	2.205	20	30		FEEDMO
Cc1cccc(N2CCN(CCCNC(=[NH2+])Nc3ccccn3)CC2)c1	ZINC000170904402	546181820	/nfs/dbraw/zinc/18/18/20/546181820.db2.gz	LBSGIJUUXWPNLX-UHFFFAOYSA-N	1	1	352.486	2.329	20	30		FEEDMO
C[NH+]1CCN([C@@H](C(=O)NCc2ccc(C#N)cc2F)c2ccccc2)CC1	ZINC000170931103	546183193	/nfs/dbraw/zinc/18/31/93/546183193.db2.gz	ZBFUWEYDCCGERQ-HXUWFJFHSA-N	1	1	366.440	2.302	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000171537732	546213886	/nfs/dbraw/zinc/21/38/86/546213886.db2.gz	LSGJRIPCYBHVMO-UHFFFAOYSA-N	1	1	359.835	2.177	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](OCCO)C2)c1	ZINC000172295530	546244585	/nfs/dbraw/zinc/24/45/85/546244585.db2.gz	DJFKDBJKFQKCDE-QUCCMNQESA-N	1	1	373.497	2.412	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](OCCO)C2)c1	ZINC000172295530	546244587	/nfs/dbraw/zinc/24/45/87/546244587.db2.gz	DJFKDBJKFQKCDE-QUCCMNQESA-N	1	1	373.497	2.412	20	30		FEEDMO
CCC(CC)[C@H](CNC(=O)Nc1ccn(CCC#N)n1)[NH+]1CCOCC1	ZINC000173332922	546278135	/nfs/dbraw/zinc/27/81/35/546278135.db2.gz	CXJCTOJOVWZBJT-INIZCTEOSA-N	1	1	362.478	2.055	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccn(CCC#N)n2)cn1	ZINC000173372048	546280272	/nfs/dbraw/zinc/28/02/72/546280272.db2.gz	LVLDWGYXJLCWHL-UHFFFAOYSA-N	1	1	350.386	2.008	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000173728564	546285457	/nfs/dbraw/zinc/28/54/57/546285457.db2.gz	LIXDBZNHXIHDOM-OAHLLOKOSA-N	1	1	356.470	2.226	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C3(C#N)CCCCC3)c2)CC1	ZINC000173825546	546287449	/nfs/dbraw/zinc/28/74/49/546287449.db2.gz	DVMXZCYVNJTRHF-UHFFFAOYSA-N	1	1	368.481	2.416	20	30		FEEDMO
N#CCSCCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1	ZINC000174137378	546292825	/nfs/dbraw/zinc/29/28/25/546292825.db2.gz	RYEDZRDHHPPLDO-HNNXBMFYSA-N	1	1	371.503	2.215	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1	ZINC000174842509	546304423	/nfs/dbraw/zinc/30/44/23/546304423.db2.gz	LTJSFUYFPPHKMQ-SFHVURJKSA-N	1	1	374.529	2.324	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1C	ZINC000175201540	546306814	/nfs/dbraw/zinc/30/68/14/546306814.db2.gz	QIPOFTNVUBNZRN-KRWDZBQOSA-N	1	1	356.470	2.138	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cccc(SCC#N)c2)CC1	ZINC000176024193	546391875	/nfs/dbraw/zinc/39/18/75/546391875.db2.gz	ANKIYDUAXHIQRQ-INIZCTEOSA-N	1	1	360.527	2.306	20	30		FEEDMO
CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000176367057	546436469	/nfs/dbraw/zinc/43/64/69/546436469.db2.gz	XPUFXXOOWMVHDP-UONOGXRCSA-N	1	1	362.499	2.191	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCCCCC#N)C2)cc(OC)c1	ZINC000176398246	546440390	/nfs/dbraw/zinc/44/03/90/546440390.db2.gz	SIBWKRQFCUDGSS-INIZCTEOSA-N	1	1	360.458	2.271	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)NCCCCC#N)C2)cc(OC)c1	ZINC000176398246	546440393	/nfs/dbraw/zinc/44/03/93/546440393.db2.gz	SIBWKRQFCUDGSS-INIZCTEOSA-N	1	1	360.458	2.271	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CCN(CCc2ccccn2)CC1	ZINC000177257401	546580874	/nfs/dbraw/zinc/58/08/74/546580874.db2.gz	JFSYGMOBIDDMTE-GOSISDBHSA-N	1	1	371.529	2.028	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1	ZINC000177257401	546580879	/nfs/dbraw/zinc/58/08/79/546580879.db2.gz	JFSYGMOBIDDMTE-GOSISDBHSA-N	1	1	371.529	2.028	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccccc1	ZINC000178948864	546878692	/nfs/dbraw/zinc/87/86/92/546878692.db2.gz	MUFCOCNUSAFLBR-OALUTQOASA-N	1	1	355.463	2.423	20	30		FEEDMO
Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc(=O)[nH]1	ZINC000179748792	547007628	/nfs/dbraw/zinc/00/76/28/547007628.db2.gz	FKOPDAUHGPWBRX-UHFFFAOYSA-N	1	1	350.422	2.315	20	30		FEEDMO
COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000180191340	547065734	/nfs/dbraw/zinc/06/57/34/547065734.db2.gz	VBBXYJUMPIJYAG-QGZVFWFLSA-N	1	1	370.478	2.439	20	30		FEEDMO
C=CCNC(=O)CNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000180351803	547089458	/nfs/dbraw/zinc/08/94/58/547089458.db2.gz	KGCCNMZYXXFGEN-CALCHBBNSA-N	1	1	372.513	2.266	20	30		FEEDMO
C=CCNC(=O)C[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2	ZINC000180470662	547112956	/nfs/dbraw/zinc/11/29/56/547112956.db2.gz	BGJFXUVEBCSXKX-JTQLQIEISA-N	1	1	355.232	2.173	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1	ZINC000180899380	547205639	/nfs/dbraw/zinc/20/56/39/547205639.db2.gz	KUZRTGMGMOJGRY-MRXNPFEDSA-N	1	1	364.449	2.442	20	30		FEEDMO
COC(=O)[C@H](O)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1	ZINC000181186057	547265459	/nfs/dbraw/zinc/26/54/59/547265459.db2.gz	JPGWKLYDWSOLLR-OAHLLOKOSA-N	1	1	367.243	2.067	20	30		FEEDMO
C=C(C)C[N@@H+](C)CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000181245493	547278731	/nfs/dbraw/zinc/27/87/31/547278731.db2.gz	VZUIDYBYPRFAEX-UHFFFAOYSA-N	1	1	365.499	2.308	20	30		FEEDMO
CC[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000181347275	547297754	/nfs/dbraw/zinc/29/77/54/547297754.db2.gz	JMHSDEVEFBXXDT-RTBURBONSA-N	1	1	352.438	2.296	20	30		FEEDMO
CC[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000181347275	547297760	/nfs/dbraw/zinc/29/77/60/547297760.db2.gz	JMHSDEVEFBXXDT-RTBURBONSA-N	1	1	352.438	2.296	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CC1	ZINC000181566652	547338138	/nfs/dbraw/zinc/33/81/38/547338138.db2.gz	SQZZXXJOIAOUDW-HNNXBMFYSA-N	1	1	358.490	2.222	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)cc1	ZINC000182590236	547518370	/nfs/dbraw/zinc/51/83/70/547518370.db2.gz	VMNUFDGWQXCDRN-GOSISDBHSA-N	1	1	357.454	2.184	20	30		FEEDMO
CC(C)CC[N@H+](CCC#N)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000484900915	561308236	/nfs/dbraw/zinc/30/82/36/561308236.db2.gz	PWJAWSYGEXQPSY-QGZVFWFLSA-N	1	1	358.442	2.126	20	30		FEEDMO
CC(C)CC[N@@H+](CCC#N)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000484900915	561308237	/nfs/dbraw/zinc/30/82/37/561308237.db2.gz	PWJAWSYGEXQPSY-QGZVFWFLSA-N	1	1	358.442	2.126	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000185700735	548022267	/nfs/dbraw/zinc/02/22/67/548022267.db2.gz	PXIXWVBPNHPYCJ-KRWDZBQOSA-N	1	1	360.502	2.077	20	30		FEEDMO
CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000186099300	548084251	/nfs/dbraw/zinc/08/42/51/548084251.db2.gz	LPYSXVQOMMURHN-GOSISDBHSA-N	1	1	370.478	2.238	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1	ZINC000485781954	561327874	/nfs/dbraw/zinc/32/78/74/561327874.db2.gz	ZTIXMIGVJDZVBB-CQSZACIVSA-N	1	1	355.398	2.223	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(C)(CO)CC1	ZINC000186892740	548214334	/nfs/dbraw/zinc/21/43/34/548214334.db2.gz	SDEOUUXPGPPBDE-INIZCTEOSA-N	1	1	359.470	2.425	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCCC3(CC3)C2)CC1	ZINC000186972667	548231553	/nfs/dbraw/zinc/23/15/53/548231553.db2.gz	GQQGDDJNYQUOPC-MRXNPFEDSA-N	1	1	358.511	2.333	20	30		FEEDMO
C=CCN(CCOC)C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1	ZINC000188856184	548290483	/nfs/dbraw/zinc/29/04/83/548290483.db2.gz	YYVGTXCYRRUAKX-UHFFFAOYSA-N	1	1	364.490	2.347	20	30		FEEDMO
CC[C@@]1(CO)CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000189674758	548307896	/nfs/dbraw/zinc/30/78/96/548307896.db2.gz	GZMATNNDDLOQIE-SFHVURJKSA-N	1	1	368.399	2.410	20	30		FEEDMO
CO[C@H](C)c1noc(CN2CCC[N@H+](CC#Cc3ccccc3)CC2)n1	ZINC000192060940	548357507	/nfs/dbraw/zinc/35/75/07/548357507.db2.gz	CLNBWVPPPQOIJT-QGZVFWFLSA-N	1	1	354.454	2.336	20	30		FEEDMO
CO[C@H](C)c1noc(CN2CCC[N@@H+](CC#Cc3ccccc3)CC2)n1	ZINC000192060940	548357512	/nfs/dbraw/zinc/35/75/12/548357512.db2.gz	CLNBWVPPPQOIJT-QGZVFWFLSA-N	1	1	354.454	2.336	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1	ZINC000192450079	548363604	/nfs/dbraw/zinc/36/36/04/548363604.db2.gz	MRTBEEWMXGYPRO-WSTZPKSXSA-N	1	1	362.514	2.196	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1	ZINC000193607453	548392136	/nfs/dbraw/zinc/39/21/36/548392136.db2.gz	ZHWNDXBKTBOCRJ-OAGGEKHMSA-N	1	1	358.511	2.370	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000194629850	548509125	/nfs/dbraw/zinc/50/91/25/548509125.db2.gz	XVNSYHUIPCQHRK-SFHVURJKSA-N	1	1	362.433	2.135	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)[C@@H](Cc1ccccc1)C(=O)OCC	ZINC000487354985	561368119	/nfs/dbraw/zinc/36/81/19/561368119.db2.gz	OXTCRLWTICSREQ-UHOSZYNNSA-N	1	1	358.482	2.373	20	30		FEEDMO
Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)nc1	ZINC000245419832	548912936	/nfs/dbraw/zinc/91/29/36/548912936.db2.gz	HDQOONOZUISNGZ-OXQOHEQNSA-N	1	1	371.485	2.095	20	30		FEEDMO
Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)nc1	ZINC000245419832	548912937	/nfs/dbraw/zinc/91/29/37/548912937.db2.gz	HDQOONOZUISNGZ-OXQOHEQNSA-N	1	1	371.485	2.095	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000245461575	548927081	/nfs/dbraw/zinc/92/70/81/548927081.db2.gz	NDDBCTJFSKVDER-JTDSTZFVSA-N	1	1	358.461	2.407	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](Cn4cncn4)C3)C2=O)cc1	ZINC000245513397	548936775	/nfs/dbraw/zinc/93/67/75/548936775.db2.gz	AHBQWPBKFBGUPB-IEBWSBKVSA-N	1	1	364.453	2.057	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1	ZINC000245511526	548937280	/nfs/dbraw/zinc/93/72/80/548937280.db2.gz	YJZPOGQOFAEEOP-FUHWJXTLSA-N	1	1	357.454	2.048	20	30		FEEDMO
CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000245556660	548945580	/nfs/dbraw/zinc/94/55/80/548945580.db2.gz	JCNMLZZZNZRZQG-KZNAEPCWSA-N	1	1	366.575	2.285	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@H]1C	ZINC000245564148	548948087	/nfs/dbraw/zinc/94/80/87/548948087.db2.gz	YVHASOJKSJQYLD-OLZOCXBDSA-N	1	1	352.276	2.208	20	30		FEEDMO
COCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000245815403	548998512	/nfs/dbraw/zinc/99/85/12/548998512.db2.gz	CXOQKUKSRUUULE-SFANZJOMSA-N	1	1	365.518	2.433	20	30		FEEDMO
COCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000245815403	548998516	/nfs/dbraw/zinc/99/85/16/548998516.db2.gz	CXOQKUKSRUUULE-SFANZJOMSA-N	1	1	365.518	2.433	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000245900443	549014400	/nfs/dbraw/zinc/01/44/00/549014400.db2.gz	SCAYGSURZXQGDK-QFBILLFUSA-N	1	1	358.461	2.409	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](CCO)Cc1cccc(Br)c1	ZINC000488199786	561385914	/nfs/dbraw/zinc/38/59/14/561385914.db2.gz	NXCYVPPQXLVYGQ-UHFFFAOYSA-N	1	1	368.275	2.006	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21	ZINC000246061690	549044630	/nfs/dbraw/zinc/04/46/30/549044630.db2.gz	BICWYGZHMJSKNT-XODKDNOYSA-N	1	1	361.482	2.423	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC[C@H]21	ZINC000246326693	549106299	/nfs/dbraw/zinc/10/62/99/549106299.db2.gz	ZHNXUOFSMDFREK-IUODEOHRSA-N	1	1	353.875	2.316	20	30		FEEDMO
C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000488593435	561392451	/nfs/dbraw/zinc/39/24/51/561392451.db2.gz	MNRORXJTWQKYHA-ZDUSSCGKSA-N	1	1	362.426	2.485	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1	ZINC000246363463	549115313	/nfs/dbraw/zinc/11/53/13/549115313.db2.gz	LBLTZYWNBLPHMY-WIYYLYMNSA-N	1	1	352.434	2.280	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CCC#N)CCC(C)C)CC1=O	ZINC000246450031	549135529	/nfs/dbraw/zinc/13/55/29/549135529.db2.gz	OPBXGWWVUVEEHK-ZWKOTPCHSA-N	1	1	362.518	2.108	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1	ZINC000246459452	549137984	/nfs/dbraw/zinc/13/79/84/549137984.db2.gz	FQVRITARQINFCX-SCTDSRPQSA-N	1	1	356.422	2.479	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000246710032	549192979	/nfs/dbraw/zinc/19/29/79/549192979.db2.gz	UJIPVKPRZAWFKN-GUYCJALGSA-N	1	1	363.458	2.335	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CCN(c3cc[nH+]c(N4CCCCC4)n3)C2)nc1	ZINC000488986335	561400960	/nfs/dbraw/zinc/40/09/60/561400960.db2.gz	SEELTCWYATZODR-INIZCTEOSA-N	1	1	350.426	2.391	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1cccc(F)c1	ZINC000489004813	561401375	/nfs/dbraw/zinc/40/13/75/561401375.db2.gz	WOOVCILLUIVBJR-QGZVFWFLSA-N	1	1	365.405	2.418	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O	ZINC000247142411	549290376	/nfs/dbraw/zinc/29/03/76/549290376.db2.gz	WHVFVSNYEFSVJR-DOTOQJQBSA-N	1	1	359.470	2.019	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000247669581	549370743	/nfs/dbraw/zinc/37/07/43/549370743.db2.gz	ZESOLDWJIXJDBT-BLLLJJGKSA-N	1	1	353.875	2.316	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000248371948	549423702	/nfs/dbraw/zinc/42/37/02/549423702.db2.gz	ZHQXORUVNGGVFI-IAGOWNOFSA-N	1	1	371.485	2.049	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2Br)[C@@H](C)C1	ZINC000248637939	549473973	/nfs/dbraw/zinc/47/39/73/549473973.db2.gz	APWLOKMAAMIHFI-STQMWFEESA-N	1	1	352.276	2.208	20	30		FEEDMO
C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000248860553	549516022	/nfs/dbraw/zinc/51/60/22/549516022.db2.gz	XGEXNYYSIBUENM-XOIINTDNSA-N	1	1	368.399	2.407	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489589209	561414857	/nfs/dbraw/zinc/41/48/57/561414857.db2.gz	UJDACQCFHXWURA-MJBXVCDLSA-N	1	1	353.463	2.342	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1	ZINC000248911691	549526854	/nfs/dbraw/zinc/52/68/54/549526854.db2.gz	VMCGXOOGSQPKNF-YLJYHZDGSA-N	1	1	356.514	2.457	20	30		FEEDMO
CN(C(=O)c1ccnc(C#N)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000249106015	549552904	/nfs/dbraw/zinc/55/29/04/549552904.db2.gz	PHNZJKQEKNBZPK-WOJBJXKFSA-N	1	1	369.513	2.362	20	30		FEEDMO
COCCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000249370438	549584698	/nfs/dbraw/zinc/58/46/98/549584698.db2.gz	NHGFJNKFSYGLLB-SWLSCSKDSA-N	1	1	351.834	2.276	20	30		FEEDMO
COCCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000249370438	549584701	/nfs/dbraw/zinc/58/47/01/549584701.db2.gz	NHGFJNKFSYGLLB-SWLSCSKDSA-N	1	1	351.834	2.276	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)c(F)c2)C1	ZINC000489717169	561417742	/nfs/dbraw/zinc/41/77/42/561417742.db2.gz	ISMFQERIWHYVPN-AWEZNQCLSA-N	1	1	353.463	2.344	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C	ZINC000249639058	549613777	/nfs/dbraw/zinc/61/37/77/549613777.db2.gz	XLGBONKMUWUMQG-AHIWAGSCSA-N	1	1	360.483	2.134	20	30		FEEDMO
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)nc1	ZINC000263647057	549912211	/nfs/dbraw/zinc/91/22/11/549912211.db2.gz	AKZYLPJSRHEHOW-MJGOQNOKSA-N	1	1	368.462	2.258	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)ccc1F	ZINC000264057568	549973804	/nfs/dbraw/zinc/97/38/04/549973804.db2.gz	JRGCWOVAVCNQBJ-UHFFFAOYSA-N	1	1	374.441	2.035	20	30		FEEDMO
C[C@@H](c1cccc(NCC(=O)N[C@@](C)(C#N)C2CC2)c1)[NH+]1CCOCC1	ZINC000264407839	549995317	/nfs/dbraw/zinc/99/53/17/549995317.db2.gz	YORPLJGQDJYBGM-YWZLYKJASA-N	1	1	356.470	2.300	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1	ZINC000264598611	549998552	/nfs/dbraw/zinc/99/85/52/549998552.db2.gz	VGWABEKGNITFFJ-OALUTQOASA-N	1	1	368.481	2.456	20	30		FEEDMO
CCCc1nc(CO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C)no1	ZINC000264827304	550002192	/nfs/dbraw/zinc/00/21/92/550002192.db2.gz	HFZPFULMEWAMRQ-NSHDSACASA-N	1	1	355.439	2.314	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cccc(CC#N)c1	ZINC000265436894	550010102	/nfs/dbraw/zinc/01/01/02/550010102.db2.gz	GZTWJFUANHOTQU-KRWDZBQOSA-N	1	1	363.465	2.088	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)CC1	ZINC000265976421	550015662	/nfs/dbraw/zinc/01/56/62/550015662.db2.gz	XQLWBCUOVXCSMM-UHFFFAOYSA-N	1	1	355.482	2.082	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1	ZINC000267725082	550034318	/nfs/dbraw/zinc/03/43/18/550034318.db2.gz	MILPKPOBIZHYAD-HUUCEWRRSA-N	1	1	366.531	2.049	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1	ZINC000267725082	550034320	/nfs/dbraw/zinc/03/43/20/550034320.db2.gz	MILPKPOBIZHYAD-HUUCEWRRSA-N	1	1	366.531	2.049	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)CNc1cccc([C@@H](C)[NH+]2CCOCC2)c1	ZINC000267984044	550036418	/nfs/dbraw/zinc/03/64/18/550036418.db2.gz	HKTCCIMKCARJBH-DLBZAZTESA-N	1	1	358.486	2.500	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000269060988	550150084	/nfs/dbraw/zinc/15/00/84/550150084.db2.gz	BGSQMNXBXOHNNZ-AWEZNQCLSA-N	1	1	362.861	2.387	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1OC	ZINC000269472260	550199578	/nfs/dbraw/zinc/19/95/78/550199578.db2.gz	LGWJACUUDJJIEK-MRXNPFEDSA-N	1	1	368.499	2.021	20	30		FEEDMO
Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000269665804	550215246	/nfs/dbraw/zinc/21/52/46/550215246.db2.gz	NBQOZGCLINRLNV-UHFFFAOYSA-N	1	1	372.372	2.451	20	30		FEEDMO
CCOCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000269709258	550219220	/nfs/dbraw/zinc/21/92/20/550219220.db2.gz	RPFKOPRMBZUYRS-MJGOQNOKSA-N	1	1	359.470	2.449	20	30		FEEDMO
CCOCCO[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000269709258	550219222	/nfs/dbraw/zinc/21/92/22/550219222.db2.gz	RPFKOPRMBZUYRS-MJGOQNOKSA-N	1	1	359.470	2.449	20	30		FEEDMO
CC(C)N1CC[NH+](C2CCN(C(=O)c3ccccc3OCC#N)CC2)CC1	ZINC000270483600	550276562	/nfs/dbraw/zinc/27/65/62/550276562.db2.gz	AAUVYFRJOPYLPT-UHFFFAOYSA-N	1	1	370.497	2.220	20	30		FEEDMO
CN1CC[C@@H](CNC(=[NH2+])N2CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000270538545	550281833	/nfs/dbraw/zinc/28/18/33/550281833.db2.gz	BGSBAYVQPSYHGW-BBRMVZONSA-N	1	1	354.857	2.119	20	30		FEEDMO
N#CCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1	ZINC000270810411	550309442	/nfs/dbraw/zinc/30/94/42/550309442.db2.gz	GYEJJWABDOYKKB-NHCUHLMSSA-N	1	1	363.461	2.365	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1	ZINC000270874546	550316179	/nfs/dbraw/zinc/31/61/79/550316179.db2.gz	CKOFTFYUHBUVIK-UHFFFAOYSA-N	1	1	361.446	2.436	20	30		FEEDMO
CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@@H]1O	ZINC000270930213	550322587	/nfs/dbraw/zinc/32/25/87/550322587.db2.gz	QBTWVFAIAILWQJ-YJBOKZPZSA-N	1	1	370.453	2.259	20	30		FEEDMO
CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@@H]1O	ZINC000270930213	550322588	/nfs/dbraw/zinc/32/25/88/550322588.db2.gz	QBTWVFAIAILWQJ-YJBOKZPZSA-N	1	1	370.453	2.259	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C(C)C	ZINC000271265225	550359482	/nfs/dbraw/zinc/35/94/82/550359482.db2.gz	VRWQQAIVCLLSSZ-OAHLLOKOSA-N	1	1	351.516	2.355	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCNC(=O)C(C)C	ZINC000271265225	550359484	/nfs/dbraw/zinc/35/94/84/550359484.db2.gz	VRWQQAIVCLLSSZ-OAHLLOKOSA-N	1	1	351.516	2.355	20	30		FEEDMO
CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(C#N)s3)CC2)n1	ZINC000271295842	550361954	/nfs/dbraw/zinc/36/19/54/550361954.db2.gz	SFXCALBWLCDGHC-CYBMUJFWSA-N	1	1	361.471	2.418	20	30		FEEDMO
CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)n1	ZINC000271295842	550361956	/nfs/dbraw/zinc/36/19/56/550361956.db2.gz	SFXCALBWLCDGHC-CYBMUJFWSA-N	1	1	361.471	2.418	20	30		FEEDMO
C[C@H]1C[C@@H](CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1	ZINC000271347317	550367636	/nfs/dbraw/zinc/36/76/36/550367636.db2.gz	KMQVHVTUHBGSRW-KBPBESRZSA-N	1	1	354.454	2.461	20	30		FEEDMO
C=CCOCCCc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1	ZINC000273811021	550512146	/nfs/dbraw/zinc/51/21/46/550512146.db2.gz	VWCHLIKZSNKYHK-UHFFFAOYSA-N	1	1	370.453	2.259	20	30		FEEDMO
C=CCCN(C)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000276313290	550577816	/nfs/dbraw/zinc/57/78/16/550577816.db2.gz	UQOHYHLONYZQJB-SFHVURJKSA-N	1	1	358.486	2.101	20	30		FEEDMO
C[C@H]1CCN(S(=O)(=O)c2cccnc2C#N)CC[N@@H+]1Cc1ccccc1	ZINC000277091779	550631163	/nfs/dbraw/zinc/63/11/63/550631163.db2.gz	VRIKXBSZJQWYAY-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@H]1CCN(S(=O)(=O)c2cccnc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000277091779	550631165	/nfs/dbraw/zinc/63/11/65/550631165.db2.gz	VRIKXBSZJQWYAY-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1	ZINC000277854519	550721563	/nfs/dbraw/zinc/72/15/63/550721563.db2.gz	YYTBXDJYVHMWSL-KRWDZBQOSA-N	1	1	361.461	2.471	20	30		FEEDMO
CN(CCC#N)C(=O)CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000277886666	550725542	/nfs/dbraw/zinc/72/55/42/550725542.db2.gz	VTIMXNVOFWBUHF-UHFFFAOYSA-N	1	1	359.861	2.096	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000279392468	550885009	/nfs/dbraw/zinc/88/50/09/550885009.db2.gz	ASLCUFGJMCEAQU-UHFFFAOYSA-N	1	1	372.513	2.327	20	30		FEEDMO
C[C@H]1OCC[C@@]12C[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CCO2	ZINC000280426628	550992447	/nfs/dbraw/zinc/99/24/47/550992447.db2.gz	METJOWRPJJBPHW-FOIQADDNSA-N	1	1	352.438	2.339	20	30		FEEDMO
C[C@H]1OCC[C@@]12C[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CCO2	ZINC000280426628	550992448	/nfs/dbraw/zinc/99/24/48/550992448.db2.gz	METJOWRPJJBPHW-FOIQADDNSA-N	1	1	352.438	2.339	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000280489701	550999598	/nfs/dbraw/zinc/99/95/98/550999598.db2.gz	AWRQHPOEBAIVLP-QGZVFWFLSA-N	1	1	352.394	2.162	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000280489701	550999599	/nfs/dbraw/zinc/99/95/99/550999599.db2.gz	AWRQHPOEBAIVLP-QGZVFWFLSA-N	1	1	352.394	2.162	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1	ZINC000280658297	551018455	/nfs/dbraw/zinc/01/84/55/551018455.db2.gz	DRHOVYLDPMUNEV-HXUWFJFHSA-N	1	1	356.470	2.008	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H]1C	ZINC000280814062	551035293	/nfs/dbraw/zinc/03/52/93/551035293.db2.gz	UDAOFRHBNCGJMR-JKIFEVAISA-N	1	1	361.417	2.202	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000281012755	551054873	/nfs/dbraw/zinc/05/48/73/551054873.db2.gz	HKXPFKYUGIEORK-APWZRJJASA-N	1	1	353.422	2.073	20	30		FEEDMO
COCC[N@@H+](C)CC[C@@H](NC(=O)c1cc(C#N)ccn1)c1ccccc1	ZINC000496410675	561493841	/nfs/dbraw/zinc/49/38/41/561493841.db2.gz	IWRDLIXFCMWLAR-GOSISDBHSA-N	1	1	352.438	2.393	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1	ZINC000281229655	551076285	/nfs/dbraw/zinc/07/62/85/551076285.db2.gz	OVRNPSIRZZDLPO-HNNXBMFYSA-N	1	1	357.454	2.197	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1	ZINC000281229655	551076287	/nfs/dbraw/zinc/07/62/87/551076287.db2.gz	OVRNPSIRZZDLPO-HNNXBMFYSA-N	1	1	357.454	2.197	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c(-c2ccccc2)n1	ZINC000281304418	551082879	/nfs/dbraw/zinc/08/28/79/551082879.db2.gz	PYRBHDSAFKJKKT-MSOLQXFVSA-N	1	1	365.437	2.394	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000281412061	551093789	/nfs/dbraw/zinc/09/37/89/551093789.db2.gz	MZFMOWMODBCMQN-DYXWJJEUSA-N	1	1	358.482	2.375	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000281412061	551093791	/nfs/dbraw/zinc/09/37/91/551093791.db2.gz	MZFMOWMODBCMQN-DYXWJJEUSA-N	1	1	358.482	2.375	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1	ZINC000282085750	551178743	/nfs/dbraw/zinc/17/87/43/551178743.db2.gz	OJBBWGROCYZJDA-SJORKVTESA-N	1	1	357.502	2.407	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1	ZINC000282085750	551178744	/nfs/dbraw/zinc/17/87/44/551178744.db2.gz	OJBBWGROCYZJDA-SJORKVTESA-N	1	1	357.502	2.407	20	30		FEEDMO
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000282443505	551229752	/nfs/dbraw/zinc/22/97/52/551229752.db2.gz	ZRVCRUPIESOTAL-DOTOQJQBSA-N	1	1	372.517	2.055	20	30		FEEDMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N(C)CCC#N)c1	ZINC000283286090	551342097	/nfs/dbraw/zinc/34/20/97/551342097.db2.gz	NYQOZWDGGLGGGY-UHFFFAOYSA-N	1	1	353.426	2.365	20	30		FEEDMO
N#Cc1cc(NCc2ccccc2C[NH+]2CCOCC2)cc(N)c1[N+](=O)[O-]	ZINC000283562335	551388345	/nfs/dbraw/zinc/38/83/45/551388345.db2.gz	NMMDFGHRUWFYKR-UHFFFAOYSA-N	1	1	367.409	2.493	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CCOCCO)C(C)C)c1	ZINC000283676852	551407739	/nfs/dbraw/zinc/40/77/39/551407739.db2.gz	GXQJSAPSRYHIJR-UHFFFAOYSA-N	1	1	361.486	2.269	20	30		FEEDMO
CC(C)[N@H+](CCOCCO)CC(=O)c1cn(CCC#N)c2ccccc12	ZINC000283815841	551431982	/nfs/dbraw/zinc/43/19/82/551431982.db2.gz	YIOHUFDTNDBJRA-UHFFFAOYSA-N	1	1	357.454	2.457	20	30		FEEDMO
CC(C)[N@@H+](CCOCCO)CC(=O)c1cn(CCC#N)c2ccccc12	ZINC000283815841	551431985	/nfs/dbraw/zinc/43/19/85/551431985.db2.gz	YIOHUFDTNDBJRA-UHFFFAOYSA-N	1	1	357.454	2.457	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)C1	ZINC000283913410	551448924	/nfs/dbraw/zinc/44/89/24/551448924.db2.gz	IQINYNMNPYDAKH-SJLPKXTDSA-N	1	1	370.497	2.220	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H](C)c1ccc(C#N)cc1	ZINC000284074698	551479251	/nfs/dbraw/zinc/47/92/51/551479251.db2.gz	RONMEPRZHNRGFI-MAUKXSAKSA-N	1	1	356.470	2.116	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000284164349	551495588	/nfs/dbraw/zinc/49/55/88/551495588.db2.gz	YHMFKTRSRCJIPU-CALCHBBNSA-N	1	1	370.497	2.049	20	30		FEEDMO
C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000498531160	561527104	/nfs/dbraw/zinc/52/71/04/561527104.db2.gz	ZPGXDAKKACBOHA-CWFSZBLJSA-N	1	1	373.497	2.457	20	30		FEEDMO
C[C@H]1COCC[C@@H]1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+]	ZINC000284978985	551682269	/nfs/dbraw/zinc/68/22/69/551682269.db2.gz	FTNHKQJZSTUZQM-UONOGXRCSA-N	1	1	354.454	2.319	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000285277726	551730805	/nfs/dbraw/zinc/73/08/05/551730805.db2.gz	ZTOOYEOVKFUYQZ-SJORKVTESA-N	1	1	361.486	2.073	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000285466026	551760620	/nfs/dbraw/zinc/76/06/20/551760620.db2.gz	KDCURGSZXVLVPJ-AWEZNQCLSA-N	1	1	358.417	2.301	20	30		FEEDMO
CC(C)(C#N)CC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000285729932	551802188	/nfs/dbraw/zinc/80/21/88/551802188.db2.gz	IVHGKHJCVHYMDS-IBGZPJMESA-N	1	1	354.498	2.345	20	30		FEEDMO
C#CC(C)(C)[N@@H+](C)CC(=O)N(CCOC)CC(=O)Nc1c(C)cccc1C	ZINC000286148734	551854519	/nfs/dbraw/zinc/85/45/19/551854519.db2.gz	NLRJNCPNXXUGNQ-UHFFFAOYSA-N	1	1	373.497	2.061	20	30		FEEDMO
C#CC(C)(C)[N@H+](C)CC(=O)N(CCOC)CC(=O)Nc1c(C)cccc1C	ZINC000286148734	551854520	/nfs/dbraw/zinc/85/45/20/551854520.db2.gz	NLRJNCPNXXUGNQ-UHFFFAOYSA-N	1	1	373.497	2.061	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1C	ZINC000286321924	551874068	/nfs/dbraw/zinc/87/40/68/551874068.db2.gz	QAYSBBIERAPKKM-DJIMGWMZSA-N	1	1	358.461	2.465	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286631845	551908450	/nfs/dbraw/zinc/90/84/50/551908450.db2.gz	ZKUPREHKJLLGPH-WMLDXEAASA-N	1	1	369.444	2.481	20	30		FEEDMO
COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000286631183	551908463	/nfs/dbraw/zinc/90/84/63/551908463.db2.gz	SPMALPBIWGNSOR-MRXNPFEDSA-N	1	1	369.343	2.314	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000288187132	552106469	/nfs/dbraw/zinc/10/64/69/552106469.db2.gz	BFTPKKAHFRAIAP-SJORKVTESA-N	1	1	358.461	2.324	20	30		FEEDMO
COCCOCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000288786142	552212524	/nfs/dbraw/zinc/21/25/24/552212524.db2.gz	JRYUUPQYBFEMKB-UHFFFAOYSA-N	1	1	365.499	2.422	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1	ZINC000288788708	552212940	/nfs/dbraw/zinc/21/29/40/552212940.db2.gz	KZSABNRVRRSVDB-UZLBHIALSA-N	1	1	361.461	2.061	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN([C@@H](C#N)c3ccccc3)CC1)C2	ZINC000289369603	552309512	/nfs/dbraw/zinc/30/95/12/552309512.db2.gz	ARKZBWFXYJVVAI-ICSRJNTNSA-N	1	1	363.465	2.163	20	30		FEEDMO
CO/N=C/C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000289379415	552311222	/nfs/dbraw/zinc/31/12/22/552311222.db2.gz	BQIZNHGYNVDDFK-LICLKQGHSA-N	1	1	354.248	2.162	20	30		FEEDMO
C#CC[C@@]1(C(=O)NCCn2cc[nH+]c2C)CCCN1C(=O)OC(C)(C)C	ZINC000289550224	552339137	/nfs/dbraw/zinc/33/91/37/552339137.db2.gz	GDXGTSZQJLCRBI-IBGZPJMESA-N	1	1	360.458	2.101	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1OC	ZINC000289570271	552342620	/nfs/dbraw/zinc/34/26/20/552342620.db2.gz	JMKNINBYVCHRIE-MGPUTAFESA-N	1	1	373.453	2.213	20	30		FEEDMO
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000289912056	552398648	/nfs/dbraw/zinc/39/86/48/552398648.db2.gz	AMUGKXNLGXOFJM-GFCCVEGCSA-N	1	1	350.850	2.387	20	30		FEEDMO
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OCC	ZINC000289982979	552409723	/nfs/dbraw/zinc/40/97/23/552409723.db2.gz	GQBVXHHNMATSRG-CQSZACIVSA-N	1	1	360.458	2.132	20	30		FEEDMO
Cn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000290846179	552548519	/nfs/dbraw/zinc/54/85/19/552548519.db2.gz	VZXLNVSZTWNNIQ-UHFFFAOYSA-N	1	1	373.464	2.461	20	30		FEEDMO
CC(C)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCOC1	ZINC000291751701	552657924	/nfs/dbraw/zinc/65/79/24/552657924.db2.gz	KPOQFDUWLFDJQK-KRWDZBQOSA-N	1	1	353.426	2.182	20	30		FEEDMO
CC(C)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H]1CCOC1	ZINC000291751701	552657925	/nfs/dbraw/zinc/65/79/25/552657925.db2.gz	KPOQFDUWLFDJQK-KRWDZBQOSA-N	1	1	353.426	2.182	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](CCC(=O)Nc3cc(N)ccc3F)C2)nc1	ZINC000292037261	552687049	/nfs/dbraw/zinc/68/70/49/552687049.db2.gz	ADWBGUGUZHMGHJ-HNNXBMFYSA-N	1	1	369.400	2.156	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@@H+]([C@H](C(=O)NC3CC3)c3ccccc3)C2)nc1	ZINC000292110504	552694964	/nfs/dbraw/zinc/69/49/64/552694964.db2.gz	HBFUMIWDYPHZDE-ICSRJNTNSA-N	1	1	362.433	2.426	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+]([C@H](C(=O)NC3CC3)c3ccccc3)C2)nc1	ZINC000292110504	552694965	/nfs/dbraw/zinc/69/49/65/552694965.db2.gz	HBFUMIWDYPHZDE-ICSRJNTNSA-N	1	1	362.433	2.426	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292158087	552699634	/nfs/dbraw/zinc/69/96/34/552699634.db2.gz	KRSDFJQUNURNBE-BEFAXECRSA-N	1	1	360.433	2.145	20	30		FEEDMO
CCS(=O)(=O)CCCCC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292272691	552711321	/nfs/dbraw/zinc/71/13/21/552711321.db2.gz	SHULMNSKWOYWER-MRXNPFEDSA-N	1	1	351.472	2.011	20	30		FEEDMO
CCS(=O)(=O)CCCCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292272691	552711322	/nfs/dbraw/zinc/71/13/22/552711322.db2.gz	SHULMNSKWOYWER-MRXNPFEDSA-N	1	1	351.472	2.011	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292601882	552742077	/nfs/dbraw/zinc/74/20/77/552742077.db2.gz	NCYGXYVRMASBJM-MSOLQXFVSA-N	1	1	371.485	2.094	20	30		FEEDMO
CCOc1ccc(NC(=O)CN2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1	ZINC000292833396	552762983	/nfs/dbraw/zinc/76/29/83/552762983.db2.gz	PABFXOAMINRBJO-FUHWJXTLSA-N	1	1	356.470	2.334	20	30		FEEDMO
N#Cc1ccsc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1	ZINC000292960597	552775053	/nfs/dbraw/zinc/77/50/53/552775053.db2.gz	AIKPRVUBQOTJSK-MRXNPFEDSA-N	1	1	368.462	2.339	20	30		FEEDMO
CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](CCOCCC#N)C(C)C)cc1	ZINC000293155744	552794321	/nfs/dbraw/zinc/79/43/21/552794321.db2.gz	RDTIADJRCQDBDR-GOSISDBHSA-N	1	1	363.458	2.025	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)cc1OC	ZINC000293717548	552849951	/nfs/dbraw/zinc/84/99/51/552849951.db2.gz	SXHIYANXBBRCRX-KRWDZBQOSA-N	1	1	358.442	2.181	20	30		FEEDMO
C=CCC(F)(F)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1	ZINC000293754054	552853311	/nfs/dbraw/zinc/85/33/11/552853311.db2.gz	JDBIOIKTJUXPPJ-UHFFFAOYSA-N	1	1	351.397	2.153	20	30		FEEDMO
C[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C[C@H](C)[N@@H+]1C	ZINC000294030099	552876610	/nfs/dbraw/zinc/87/66/10/552876610.db2.gz	RKGIMDYURGYUNK-CALCHBBNSA-N	1	1	356.470	2.264	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1	ZINC000294028220	552876658	/nfs/dbraw/zinc/87/66/58/552876658.db2.gz	RFUUEIGLUQNFEN-MRXNPFEDSA-N	1	1	374.460	2.141	20	30		FEEDMO
CSc1ccc([C@@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)[NH+](C)C)cc1	ZINC000294249450	552891309	/nfs/dbraw/zinc/89/13/09/552891309.db2.gz	UNEFVLQMZJMVTR-CZUORRHYSA-N	1	1	370.544	2.080	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)N[C@](C)(C#N)C1CC1	ZINC000501795508	561605514	/nfs/dbraw/zinc/60/55/14/561605514.db2.gz	YTSQTZCBDKYMCH-CSODHUTKSA-N	1	1	354.498	2.390	20	30		FEEDMO
C[N@@H+]1CC[C@H](CNS(=O)(=O)CCC#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000295132498	552962222	/nfs/dbraw/zinc/96/22/22/552962222.db2.gz	JZKUZMITHVQTCY-IUODEOHRSA-N	1	1	359.854	2.305	20	30		FEEDMO
C[N@H+]1CC[C@H](CNS(=O)(=O)CCC#N)[C@H]1c1ccc(Cl)c(F)c1	ZINC000295132498	552962223	/nfs/dbraw/zinc/96/22/23/552962223.db2.gz	JZKUZMITHVQTCY-IUODEOHRSA-N	1	1	359.854	2.305	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000295938878	553078292	/nfs/dbraw/zinc/07/82/92/553078292.db2.gz	JFVSASWEHDOTCZ-MRXNPFEDSA-N	1	1	374.533	2.303	20	30		FEEDMO
C[N@H+]1CCN(CCNc2ncc(Br)cc2C#N)CC1(C)C	ZINC000296721549	553202855	/nfs/dbraw/zinc/20/28/55/553202855.db2.gz	HPJBWEJCPUGYHM-UHFFFAOYSA-N	1	1	352.280	2.154	20	30		FEEDMO
CCN(CC)C(=O)C[NH+]1CCC(Nc2nc(C#N)c(Cl)s2)CC1	ZINC000601182752	553357265	/nfs/dbraw/zinc/35/72/65/553357265.db2.gz	WGCLJYTVQCLXJT-UHFFFAOYSA-N	1	1	355.895	2.413	20	30		FEEDMO
Cc1cc(C)n(-c2ccc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)nn2)n1	ZINC000298146186	553390109	/nfs/dbraw/zinc/39/01/09/553390109.db2.gz	CRTKRBZHZWPUAV-UHFFFAOYSA-N	1	1	373.464	2.473	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1	ZINC000298200727	553397500	/nfs/dbraw/zinc/39/75/00/553397500.db2.gz	GERDQXCXWFSRPL-LJQANCHMSA-N	1	1	370.497	2.097	20	30		FEEDMO
CC(C)c1nc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n[nH]1	ZINC000298216585	553399247	/nfs/dbraw/zinc/39/92/47/553399247.db2.gz	VFJXKOKMLTVDBC-UHFFFAOYSA-N	1	1	369.473	2.073	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1	ZINC000298559061	553440364	/nfs/dbraw/zinc/44/03/64/553440364.db2.gz	DKPYFOIWBGCIBB-KGLIPLIRSA-N	1	1	358.486	2.445	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000298803761	553475030	/nfs/dbraw/zinc/47/50/30/553475030.db2.gz	OXZRCIOYFGQCRC-GFCCVEGCSA-N	1	1	361.467	2.322	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)COc2ccc(Oc3ccccn3)cc2)CC1	ZINC000299349167	553551353	/nfs/dbraw/zinc/55/13/53/553551353.db2.gz	UQACUEQTSWBELS-UHFFFAOYSA-N	1	1	365.433	2.420	20	30		FEEDMO
CN(CCC[NH+]1CCN(C)CC1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000302711783	553727400	/nfs/dbraw/zinc/72/74/00/553727400.db2.gz	ZPFUSBZRQJXUJL-UHFFFAOYSA-N	1	1	368.441	2.088	20	30		FEEDMO
N#CC1(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCOCC1	ZINC000312071128	553756058	/nfs/dbraw/zinc/75/60/58/553756058.db2.gz	NPEKDNGWUJPOOY-RTBURBONSA-N	1	1	353.466	2.287	20	30		FEEDMO
CC(C)N1C[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1=O	ZINC000328608625	553795637	/nfs/dbraw/zinc/79/56/37/553795637.db2.gz	LZFGOSIBQRCBKS-WBVHZDCISA-N	1	1	350.507	2.296	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)C1	ZINC000328650878	553802524	/nfs/dbraw/zinc/80/25/24/553802524.db2.gz	BFLGLXRGMGADDO-LSDHHAIUSA-N	1	1	367.877	2.428	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@]3(C)CCC(=O)NC3)cc2)CC1	ZINC000328675113	553805738	/nfs/dbraw/zinc/80/57/38/553805738.db2.gz	QMOFVYVMHHSPLT-HXUWFJFHSA-N	1	1	372.469	2.287	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2nccn2-c2ccccc2)C[C@H]1[NH+]1CCOCC1	ZINC000328748871	553816597	/nfs/dbraw/zinc/81/65/97/553816597.db2.gz	PTXPCQCGOBIDMF-NVXWUHKLSA-N	1	1	355.442	2.070	20	30		FEEDMO
C[N@H+](CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1CCSC1	ZINC000328851179	553832926	/nfs/dbraw/zinc/83/29/26/553832926.db2.gz	ZLUBCXXSLGCNFR-MRXNPFEDSA-N	1	1	363.483	2.184	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1CCSC1	ZINC000328851179	553832928	/nfs/dbraw/zinc/83/29/28/553832928.db2.gz	ZLUBCXXSLGCNFR-MRXNPFEDSA-N	1	1	363.483	2.184	20	30		FEEDMO
C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cnc2ccc(C#N)cn12	ZINC000506000159	561687109	/nfs/dbraw/zinc/68/71/09/561687109.db2.gz	WSAWZKASRWIKAB-CYBMUJFWSA-N	1	1	369.450	2.046	20	30		FEEDMO
C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12	ZINC000506000159	561687110	/nfs/dbraw/zinc/68/71/10/561687110.db2.gz	WSAWZKASRWIKAB-CYBMUJFWSA-N	1	1	369.450	2.046	20	30		FEEDMO
CC1(C#N)CC[NH+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CC1	ZINC000506042352	561688125	/nfs/dbraw/zinc/68/81/25/561688125.db2.gz	RPRVRKJOAKTEBX-UHFFFAOYSA-N	1	1	351.454	2.157	20	30		FEEDMO
CN1C(=O)C[C@@H](NC(=O)N2CCC[N@@H+](C)CC2)[C@H]1c1ccc(Cl)cc1	ZINC000329096668	553879665	/nfs/dbraw/zinc/87/96/65/553879665.db2.gz	YHXVZOSMJHVIPS-NVXWUHKLSA-N	1	1	364.877	2.163	20	30		FEEDMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CC12CCCCC2	ZINC000329107033	553881338	/nfs/dbraw/zinc/88/13/38/553881338.db2.gz	HSJCZXSTRDHSTQ-DLBZAZTESA-N	1	1	363.502	2.379	20	30		FEEDMO
COCCn1nc(C)c([NH+]=C([O-])N2CCC[C@@H]2Cn2cc[nH+]c2C)c1C	ZINC000329153336	553890345	/nfs/dbraw/zinc/89/03/45/553890345.db2.gz	UEASLXKIXXGWRI-MRXNPFEDSA-N	1	1	360.462	2.361	20	30		FEEDMO
C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000329226474	553906429	/nfs/dbraw/zinc/90/64/29/553906429.db2.gz	AJXOWFGPIGIRNC-USXIJHARSA-N	1	1	350.484	2.288	20	30		FEEDMO
C[C@H](NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000329345670	553929440	/nfs/dbraw/zinc/92/94/40/553929440.db2.gz	RATSTKRAPYLTMP-TVKQPGBESA-N	1	1	365.518	2.481	20	30		FEEDMO
CC(C)[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCO1	ZINC000329409686	553941260	/nfs/dbraw/zinc/94/12/60/553941260.db2.gz	BPBVJMVCGBYRRM-CGTJXYLNSA-N	1	1	363.506	2.074	20	30		FEEDMO
C[C@H](NC(=O)C[N@H+]1CCC[C@H]1C1CCOCC1)C(=O)N1CCCCC1	ZINC000329449146	553949279	/nfs/dbraw/zinc/94/92/79/553949279.db2.gz	MMSRTAGRTBRYBA-RDJZCZTQSA-N	1	1	351.491	2.235	20	30		FEEDMO
Cc1nnc2n1C[C@@H](CNC(=O)N1CCC[N@H+](C3CCCC3)CC1)CC2	ZINC000329464901	553951948	/nfs/dbraw/zinc/95/19/48/553951948.db2.gz	UUNWNUDFFRVTMR-MRXNPFEDSA-N	1	1	360.506	2.013	20	30		FEEDMO
Cc1nnc2n1C[C@@H](C[NH+]=C([O-])N1CCC[N@H+](C3CCCC3)CC1)CC2	ZINC000329464901	553951943	/nfs/dbraw/zinc/95/19/43/553951943.db2.gz	UUNWNUDFFRVTMR-MRXNPFEDSA-N	1	1	360.506	2.013	20	30		FEEDMO
Cc1nnc2n1C[C@@H](CNC(=O)N1CCC[N@@H+](C3CCCC3)CC1)CC2	ZINC000329464901	553951947	/nfs/dbraw/zinc/95/19/47/553951947.db2.gz	UUNWNUDFFRVTMR-MRXNPFEDSA-N	1	1	360.506	2.013	20	30		FEEDMO
CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CCC(=O)c4ccccc43)CC2)C1=O	ZINC000329471826	553953083	/nfs/dbraw/zinc/95/30/83/553953083.db2.gz	ZHCWCKJNKPMXQZ-MSOLQXFVSA-N	1	1	369.465	2.398	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)N3CCOCC4(CC4)C3)CC2)nc(C)[nH+]1	ZINC000329478077	553954598	/nfs/dbraw/zinc/95/45/98/553954598.db2.gz	UQZIQLSCAMFJGF-UHFFFAOYSA-N	1	1	359.474	2.089	20	30		FEEDMO
CC(C)(CNC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)[N@H+]1CCc2ccccc2C1	ZINC000329493862	553957385	/nfs/dbraw/zinc/95/73/85/553957385.db2.gz	CYGZUVXYFXHBAU-OTWHNJEPSA-N	1	1	357.498	2.440	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C12CCOCC2	ZINC000329541127	553964580	/nfs/dbraw/zinc/96/45/80/553964580.db2.gz	NFGQDEJLARZYFQ-VQTPCSAVSA-N	1	1	365.518	2.432	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)[C@]12CCCO2	ZINC000329606791	553975402	/nfs/dbraw/zinc/97/54/02/553975402.db2.gz	ZZEGAYNQUVDCAN-DIKXUDHVSA-N	1	1	351.491	2.043	20	30		FEEDMO
Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CCCC[C@@H]([NH+]3CCCC3)C1)CC2	ZINC000329657546	553983557	/nfs/dbraw/zinc/98/35/57/553983557.db2.gz	NGKNJCVYSKKLBQ-DLBZAZTESA-N	1	1	360.506	2.013	20	30		FEEDMO
C[C@H](CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)C[NH+]1CCOCC1	ZINC000329685406	553988867	/nfs/dbraw/zinc/98/88/67/553988867.db2.gz	URRHDBZEZJOUKT-ZBFHGGJFSA-N	1	1	369.531	2.003	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCC(=O)N(C)C1CCCCC1	ZINC000329691522	553990127	/nfs/dbraw/zinc/99/01/27/553990127.db2.gz	DMMSKQLHAUWBOX-NVXWUHKLSA-N	1	1	350.507	2.250	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1)[NH+]1CCOCC1	ZINC000329733194	553997164	/nfs/dbraw/zinc/99/71/64/553997164.db2.gz	QRLJPSRKIJZSTF-ULQDDVLXSA-N	1	1	353.507	2.147	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCCCS3)CC2)cn1	ZINC000329761806	554001370	/nfs/dbraw/zinc/00/13/70/554001370.db2.gz	RYPQKNRDDILCJO-INIZCTEOSA-N	1	1	351.520	2.128	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCCCS3)CC2)cn1	ZINC000329761806	554001368	/nfs/dbraw/zinc/00/13/68/554001368.db2.gz	RYPQKNRDDILCJO-INIZCTEOSA-N	1	1	351.520	2.128	20	30		FEEDMO
CC1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)CC1	ZINC000329818491	554011614	/nfs/dbraw/zinc/01/16/14/554011614.db2.gz	XEXZIRSFKJNBHF-SJLPKXTDSA-N	1	1	364.534	2.354	20	30		FEEDMO
CCN1C(=O)CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC)C2)[C@@H]1c1cnn(C)c1	ZINC000329873082	554023064	/nfs/dbraw/zinc/02/30/64/554023064.db2.gz	DMPKYIDBFAQTNC-JZXOWHBKSA-N	1	1	361.490	2.161	20	30		FEEDMO
CCC(=O)N[C@@H]1CCCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1	ZINC000329982681	554043509	/nfs/dbraw/zinc/04/35/09/554043509.db2.gz	AMUIFYPJDJUEDD-CQSZACIVSA-N	1	1	358.446	2.194	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@H](C)c1nnc2n1CCCC2	ZINC000330021960	554050659	/nfs/dbraw/zinc/05/06/59/554050659.db2.gz	YTIOMWGRZYWIEM-GFCCVEGCSA-N	1	1	368.445	2.216	20	30		FEEDMO
CO[C@@H](C)c1noc(CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1	ZINC000330078676	554060643	/nfs/dbraw/zinc/06/06/43/554060643.db2.gz	FSEFMHPOCQOGNQ-FUDCBSFHSA-N	1	1	351.451	2.138	20	30		FEEDMO
Cc1cc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)c(=O)n(C)c1	ZINC000330096887	554063708	/nfs/dbraw/zinc/06/37/08/554063708.db2.gz	ABXDLSVWOQFDKS-SFHVURJKSA-N	1	1	354.454	2.270	20	30		FEEDMO
Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2)nn1	ZINC000330113343	554066869	/nfs/dbraw/zinc/06/68/69/554066869.db2.gz	CTEUQLHIIFBKDH-FGTMMUONSA-N	1	1	372.517	2.084	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2cccc(F)c2F)CC1	ZINC000330144780	554073654	/nfs/dbraw/zinc/07/36/54/554073654.db2.gz	RWJHEUXOXOBUMJ-CYBMUJFWSA-N	1	1	361.396	2.212	20	30		FEEDMO
Cc1nsc(N2CCN(C(=O)CCn3cc[nH+]c3C(C)C)CC2)c1C#N	ZINC000330243702	554091775	/nfs/dbraw/zinc/09/17/75/554091775.db2.gz	WXVAOVRUBAURGU-UHFFFAOYSA-N	1	1	372.498	2.382	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	ZINC000330261780	554095198	/nfs/dbraw/zinc/09/51/98/554095198.db2.gz	PIXASAAHBKHGHG-SPUZQDLCSA-N	1	1	363.502	2.043	20	30		FEEDMO
Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3C#N)CC2)c1	ZINC000507758059	561740155	/nfs/dbraw/zinc/74/01/55/561740155.db2.gz	XJLRJBWRPODRQE-LJQANCHMSA-N	1	1	351.450	2.429	20	30		FEEDMO
Cc1cccnc1-c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1C	ZINC000507862262	561743699	/nfs/dbraw/zinc/74/36/99/561743699.db2.gz	JQDGKKDNDSKUMN-UHFFFAOYSA-N	1	1	373.464	2.379	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1	ZINC000330382925	554113837	/nfs/dbraw/zinc/11/38/37/554113837.db2.gz	JHCPPJYNCBEMDZ-RDJZCZTQSA-N	1	1	356.536	2.099	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H](CNC(N)=O)C1	ZINC000330480592	554126664	/nfs/dbraw/zinc/12/66/64/554126664.db2.gz	NWEAXDLCTJDYDS-FZKCQIBNSA-N	1	1	353.511	2.061	20	30		FEEDMO
CC(=O)Nc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c(Cl)c1	ZINC000330553944	554137421	/nfs/dbraw/zinc/13/74/21/554137421.db2.gz	USKIQFXMJHQPED-RYUDHWBXSA-N	1	1	368.865	2.231	20	30		FEEDMO
CC(C)CNC(=O)N1CCC[C@H](C(=O)NCC[N@H+]2CCCC[C@@H]2C)C1	ZINC000330911903	554187097	/nfs/dbraw/zinc/18/70/97/554187097.db2.gz	QQCQLOUUODNBOO-IRXDYDNUSA-N	1	1	352.523	2.259	20	30		FEEDMO
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000330977799	554196104	/nfs/dbraw/zinc/19/61/04/554196104.db2.gz	IBAOAQLDGQYVNK-KKUMJFAQSA-N	1	1	365.522	2.308	20	30		FEEDMO
CC(=O)Nc1cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc(C(F)(F)F)c1	ZINC000330995622	554199236	/nfs/dbraw/zinc/19/92/36/554199236.db2.gz	UKNWXFUUIGBUGP-HNNXBMFYSA-N	1	1	372.391	2.214	20	30		FEEDMO
C=CCn1c(CCCc2cccs2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1	ZINC000508499236	561763826	/nfs/dbraw/zinc/76/38/26/561763826.db2.gz	YKKUGZRUQLWKBI-MRXNPFEDSA-N	1	1	373.526	2.222	20	30		FEEDMO
C=CCn1c(CCCc2cccs2)nnc1N1CC[N@H+]2CCOC[C@H]2C1	ZINC000508499236	561763828	/nfs/dbraw/zinc/76/38/28/561763828.db2.gz	YKKUGZRUQLWKBI-MRXNPFEDSA-N	1	1	373.526	2.222	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)C[C@@H]1C	ZINC000331066581	554208414	/nfs/dbraw/zinc/20/84/14/554208414.db2.gz	QXZDAJIYRIYJLW-LSDHHAIUSA-N	1	1	361.442	2.096	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)C[C@@H]1C	ZINC000331066581	554208417	/nfs/dbraw/zinc/20/84/17/554208417.db2.gz	QXZDAJIYRIYJLW-LSDHHAIUSA-N	1	1	361.442	2.096	20	30		FEEDMO
CC(C)COc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cn1	ZINC000331202915	554230151	/nfs/dbraw/zinc/23/01/51/554230151.db2.gz	XRJSCKFAKKURJZ-CABCVRRESA-N	1	1	350.463	2.049	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000331406318	554259268	/nfs/dbraw/zinc/25/92/68/554259268.db2.gz	FJJRPFGNSZYPRB-MSOLQXFVSA-N	1	1	355.486	2.079	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1C#N	ZINC000509049927	561782922	/nfs/dbraw/zinc/78/29/22/561782922.db2.gz	UIFUUWKAJUVZTL-SGTLLEGYSA-N	1	1	370.428	2.356	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)c1C#N	ZINC000509049927	561782923	/nfs/dbraw/zinc/78/29/23/561782923.db2.gz	UIFUUWKAJUVZTL-SGTLLEGYSA-N	1	1	370.428	2.356	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)CNc3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000331925740	554347559	/nfs/dbraw/zinc/34/75/59/554347559.db2.gz	DCMKFOHLZIDKFG-CALCHBBNSA-N	1	1	370.497	2.318	20	30		FEEDMO
CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCO[C@H](C#N)C1	ZINC000331979110	554356425	/nfs/dbraw/zinc/35/64/25/554356425.db2.gz	FBWJRKWBXWEQRK-RTBURBONSA-N	1	1	370.497	2.393	20	30		FEEDMO
C[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@@H](C)C[N@H+]1C	ZINC000509657105	561809506	/nfs/dbraw/zinc/80/95/06/561809506.db2.gz	IJFSCRHJDIJESI-SJORKVTESA-N	1	1	356.470	2.264	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H]1C[C@@H](OC)C1	ZINC000510122064	561825788	/nfs/dbraw/zinc/82/57/88/561825788.db2.gz	RVGLAQCDPQWHOW-IYBDPMFKSA-N	1	1	362.474	2.061	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H]1C[C@@H](OC)C1	ZINC000510122064	561825789	/nfs/dbraw/zinc/82/57/89/561825789.db2.gz	RVGLAQCDPQWHOW-IYBDPMFKSA-N	1	1	362.474	2.061	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)c(F)c1	ZINC000332839534	554527854	/nfs/dbraw/zinc/52/78/54/554527854.db2.gz	PTOYSHXUCVRZAK-HZPDHXFCSA-N	1	1	371.460	2.202	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N=c1[nH]n(C)cc1C#N	ZINC000610563517	554530121	/nfs/dbraw/zinc/53/01/21/554530121.db2.gz	HAPKEEQJPZGUBR-RHSMWYFYSA-N	1	1	352.442	2.324	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N=c1[nH]n(C)cc1C#N	ZINC000610563517	554530123	/nfs/dbraw/zinc/53/01/23/554530123.db2.gz	HAPKEEQJPZGUBR-RHSMWYFYSA-N	1	1	352.442	2.324	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC34CCOCC4)CC2)cc1	ZINC000333189608	554586477	/nfs/dbraw/zinc/58/64/77/554586477.db2.gz	NTZRVUZKZXJBCI-LJQANCHMSA-N	1	1	368.481	2.345	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C[C@@H]21	ZINC000334135644	554682045	/nfs/dbraw/zinc/68/20/45/554682045.db2.gz	YDNHNFFCMYFFIX-RBUKOAKNSA-N	1	1	351.454	2.003	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1=O	ZINC000348582655	554689849	/nfs/dbraw/zinc/68/98/49/554689849.db2.gz	FIMBHIGQDCUEJD-NJAFHUGGSA-N	1	1	357.454	2.020	20	30		FEEDMO
N#Cc1ccccc1N1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1	ZINC000361525342	554923739	/nfs/dbraw/zinc/92/37/39/554923739.db2.gz	IRQJLAPVQBCLAK-AEFFLSMTSA-N	1	1	367.497	2.311	20	30		FEEDMO
CC(C)(CCC#N)C[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1	ZINC000362107685	554950736	/nfs/dbraw/zinc/95/07/36/554950736.db2.gz	XQHRXQXVSJFNNZ-UHFFFAOYSA-N	1	1	356.536	2.055	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)N2CCC[N@H+](CCCOC)CC2)cc1	ZINC000362934047	555000388	/nfs/dbraw/zinc/00/03/88/555000388.db2.gz	WNFQGQYCBONYCD-UHFFFAOYSA-N	1	1	374.485	2.179	20	30		FEEDMO
C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1	ZINC000362997890	555006981	/nfs/dbraw/zinc/00/69/81/555006981.db2.gz	PIHIIXKDVFYIBV-MRXNPFEDSA-N	1	1	374.448	2.448	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](n2cnc3ccccc32)C1)C1CC1	ZINC000363080886	555026128	/nfs/dbraw/zinc/02/61/28/555026128.db2.gz	BVZWODYDVBABJF-OXJNMPFZSA-N	1	1	351.454	2.482	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](n2cnc3ccccc32)C1)C1CC1	ZINC000363080886	555026130	/nfs/dbraw/zinc/02/61/30/555026130.db2.gz	BVZWODYDVBABJF-OXJNMPFZSA-N	1	1	351.454	2.482	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1	ZINC000363142529	555039448	/nfs/dbraw/zinc/03/94/48/555039448.db2.gz	NJYSIBGBFOIATF-QZTJIDSGSA-N	1	1	354.454	2.362	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1	ZINC000363142529	555039450	/nfs/dbraw/zinc/03/94/50/555039450.db2.gz	NJYSIBGBFOIATF-QZTJIDSGSA-N	1	1	354.454	2.362	20	30		FEEDMO
Cc1cc(N2CCC([N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C)CC2)nc(C)n1	ZINC000363349744	555083540	/nfs/dbraw/zinc/08/35/40/555083540.db2.gz	RNYKAGBYCKXEME-HXUWFJFHSA-N	1	1	372.517	2.049	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000363527859	555128904	/nfs/dbraw/zinc/12/89/04/555128904.db2.gz	YBSBUJYXCASVSA-HNNXBMFYSA-N	1	1	360.483	2.425	20	30		FEEDMO
C[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)Nc1cccc(C#N)c1	ZINC000363702512	555167728	/nfs/dbraw/zinc/16/77/28/555167728.db2.gz	BZIPAPZAIGFVGD-CPLUKWAASA-N	1	1	370.497	2.364	20	30		FEEDMO
C[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)C(=O)Nc1cccc(C#N)c1	ZINC000363702512	555167730	/nfs/dbraw/zinc/16/77/30/555167730.db2.gz	BZIPAPZAIGFVGD-CPLUKWAASA-N	1	1	370.497	2.364	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(CNC(C)=O)o1	ZINC000364079081	555245976	/nfs/dbraw/zinc/24/59/76/555245976.db2.gz	JJPPRLULXAFQQI-RHSMWYFYSA-N	1	1	360.458	2.061	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(CNC(C)=O)o1	ZINC000364079081	555245978	/nfs/dbraw/zinc/24/59/78/555245978.db2.gz	JJPPRLULXAFQQI-RHSMWYFYSA-N	1	1	360.458	2.061	20	30		FEEDMO
C=CCN(C(=O)N[C@H](C)C[S@](C)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364277637	555283306	/nfs/dbraw/zinc/28/33/06/555283306.db2.gz	CZKCPUWLPNIJAC-UAYVVIHISA-N	1	1	363.527	2.226	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1	ZINC000364399256	555306419	/nfs/dbraw/zinc/30/64/19/555306419.db2.gz	HUCGCYWJARNOAF-UHFFFAOYSA-N	1	1	365.393	2.210	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1	ZINC000364399256	555306420	/nfs/dbraw/zinc/30/64/20/555306420.db2.gz	HUCGCYWJARNOAF-UHFFFAOYSA-N	1	1	365.393	2.210	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1	ZINC000364626670	555356486	/nfs/dbraw/zinc/35/64/86/555356486.db2.gz	LFMARGLWGLVIBB-MSOLQXFVSA-N	1	1	362.518	2.109	20	30		FEEDMO
C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1F	ZINC000512635654	561910839	/nfs/dbraw/zinc/91/08/39/561910839.db2.gz	HTDYDAWUNFHDHU-WCQYABFASA-N	1	1	368.455	2.244	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000512745853	561914033	/nfs/dbraw/zinc/91/40/33/561914033.db2.gz	XBDAJIPYKHBOPL-NVXWUHKLSA-N	1	1	361.511	2.448	20	30		FEEDMO
N#Cc1ccccc1Cn1cccc1C[N@H+]1CCC[C@]2(CNC(=O)O2)C1	ZINC000364883814	555424569	/nfs/dbraw/zinc/42/45/69/555424569.db2.gz	CFOILNAWLHSEDT-FQEVSTJZSA-N	1	1	350.422	2.482	20	30		FEEDMO
N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1	ZINC000364883814	555424571	/nfs/dbraw/zinc/42/45/71/555424571.db2.gz	CFOILNAWLHSEDT-FQEVSTJZSA-N	1	1	350.422	2.482	20	30		FEEDMO
C[NH+](C)[C@@H](C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1)c1ccccc1	ZINC000365094676	555483908	/nfs/dbraw/zinc/48/39/08/555483908.db2.gz	CYWTYNJJIONWRZ-HXUWFJFHSA-N	1	1	363.465	2.659	20	30		FEEDMO
N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1	ZINC000365187267	555505574	/nfs/dbraw/zinc/50/55/74/555505574.db2.gz	RIUDYVSVPWBCQS-STQMWFEESA-N	1	1	366.368	2.144	20	30		FEEDMO
C#CC[N@@H+](CCn1cncn1)[C@@H]1CCOc2ccc(Br)cc21	ZINC000365205932	555510737	/nfs/dbraw/zinc/51/07/37/555510737.db2.gz	FEPFIEZKUXQQME-OAHLLOKOSA-N	1	1	361.243	2.500	20	30		FEEDMO
C#CC[N@H+](CCn1cncn1)[C@@H]1CCOc2ccc(Br)cc21	ZINC000365205932	555510739	/nfs/dbraw/zinc/51/07/39/555510739.db2.gz	FEPFIEZKUXQQME-OAHLLOKOSA-N	1	1	361.243	2.500	20	30		FEEDMO
C=CCN(C(=O)COC[C@@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000365325904	555543091	/nfs/dbraw/zinc/54/30/91/555543091.db2.gz	JFDDQNRPUFZHHC-WOJBJXKFSA-N	1	1	358.482	2.329	20	30		FEEDMO
CC[N@H+](CC(=O)N1CCCCCC1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000513222078	561929960	/nfs/dbraw/zinc/92/99/60/561929960.db2.gz	FXPXRFADIDTAKT-SFHVURJKSA-N	1	1	359.470	2.022	20	30		FEEDMO
Cc1c(C#N)cccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000513806374	561950634	/nfs/dbraw/zinc/95/06/34/561950634.db2.gz	IABQVPCZXJGGKC-PZJWPPBQSA-N	1	1	363.461	2.480	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[nH]1	ZINC000619320211	555765335	/nfs/dbraw/zinc/76/53/35/555765335.db2.gz	UANREWZMLCQHRK-UHFFFAOYSA-N	1	1	370.379	2.219	20	30		FEEDMO
CCCCCCCS(=O)(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1	ZINC000367229588	556003464	/nfs/dbraw/zinc/00/34/64/556003464.db2.gz	FHYZZHSHXFXKEJ-SFHVURJKSA-N	1	1	359.580	2.246	20	30		FEEDMO
C=CCOCCCC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000367434558	556048113	/nfs/dbraw/zinc/04/81/13/556048113.db2.gz	IQXDNIDAJUKQTC-OAQYLSRUSA-N	1	1	371.525	2.388	20	30		FEEDMO
C=CCOc1ccc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1OC	ZINC000367472562	556059793	/nfs/dbraw/zinc/05/97/93/556059793.db2.gz	OXUBJFPQCUFPQB-LJQANCHMSA-N	1	1	359.514	2.472	20	30		FEEDMO
Cc1c[nH+]ccc1OC1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000514819368	561981311	/nfs/dbraw/zinc/98/13/11/561981311.db2.gz	DITGCOVMULDSKX-IBGZPJMESA-N	1	1	350.422	2.332	20	30		FEEDMO
C#CC[C@]1(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CCCN1C(=O)OC(C)(C)C	ZINC000367723674	556123488	/nfs/dbraw/zinc/12/34/88/556123488.db2.gz	CSDHAKWZYNPAAL-JLTOFOAXSA-N	1	1	372.469	2.176	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c([N+](=O)[O-])c1	ZINC000514941943	561988092	/nfs/dbraw/zinc/98/80/92/561988092.db2.gz	LXEHZLNVMCEIOW-GOEBONIOSA-N	1	1	350.378	2.247	20	30		FEEDMO
C[C@@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1c[nH]c(C#N)c1	ZINC000368014310	556195025	/nfs/dbraw/zinc/19/50/25/556195025.db2.gz	DMXCJVIAFCLCMB-KXBFYZLASA-N	1	1	352.438	2.248	20	30		FEEDMO
C[C@@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1c[nH]c(C#N)c1	ZINC000368014310	556195028	/nfs/dbraw/zinc/19/50/28/556195028.db2.gz	DMXCJVIAFCLCMB-KXBFYZLASA-N	1	1	352.438	2.248	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c1	ZINC000368102253	556219256	/nfs/dbraw/zinc/21/92/56/556219256.db2.gz	XRQGQRSSMSRTLT-JENIJYKNSA-N	1	1	368.481	2.007	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000368666138	556379356	/nfs/dbraw/zinc/37/93/56/556379356.db2.gz	CJTPZUPPDPTOOP-YSIASYRMSA-N	1	1	371.481	2.163	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000368669281	556380024	/nfs/dbraw/zinc/38/00/24/556380024.db2.gz	ODHDQIKBESKVHU-RBUKOAKNSA-N	1	1	368.481	2.040	20	30		FEEDMO
N#CCCN(C(=O)C[NH+]1CCC(NC(=O)C2CCC2)CC1)c1ccccc1	ZINC000368923329	556449278	/nfs/dbraw/zinc/44/92/78/556449278.db2.gz	WTQUYEPDKDNPPN-UHFFFAOYSA-N	1	1	368.481	2.314	20	30		FEEDMO
N#C[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1	ZINC000515750907	562020918	/nfs/dbraw/zinc/02/09/18/562020918.db2.gz	QQEHRFJQTZVFSC-FQEVSTJZSA-N	1	1	366.440	2.324	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C)C1	ZINC000369043670	556486970	/nfs/dbraw/zinc/48/69/70/556486970.db2.gz	BUQKJJRQBWZYCB-HNNXBMFYSA-N	1	1	367.453	2.371	20	30		FEEDMO
C[C@H](CO)[N@H+]1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1	ZINC000369732082	556679817	/nfs/dbraw/zinc/67/98/17/556679817.db2.gz	MTPLVRGOFXRKGC-QGZVFWFLSA-N	1	1	368.481	2.474	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC(CN3CCCC3=O)CC2)cc1Cl	ZINC000369816192	556703026	/nfs/dbraw/zinc/70/30/26/556703026.db2.gz	PUUBXFNBIQVGKU-UHFFFAOYSA-N	1	1	374.872	2.485	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1	ZINC000369870840	556717926	/nfs/dbraw/zinc/71/79/26/556717926.db2.gz	GXAPKFCJZNUJJU-MOPGFXCFSA-N	1	1	358.486	2.436	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c(C#N)c1C	ZINC000370014441	556758078	/nfs/dbraw/zinc/75/80/78/556758078.db2.gz	YYRFBJYKMXYALW-UKRRQHHQSA-N	1	1	355.442	2.393	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c(C#N)c1C	ZINC000370014441	556758082	/nfs/dbraw/zinc/75/80/82/556758082.db2.gz	YYRFBJYKMXYALW-UKRRQHHQSA-N	1	1	355.442	2.393	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)CN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c1C	ZINC000370355159	556849187	/nfs/dbraw/zinc/84/91/87/556849187.db2.gz	LDRADMLDHJKOAE-RTBURBONSA-N	1	1	359.514	2.395	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)CN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c1C	ZINC000370355156	556849437	/nfs/dbraw/zinc/84/94/37/556849437.db2.gz	LDRADMLDHJKOAE-MOPGFXCFSA-N	1	1	359.514	2.395	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCCC[C@H]3[C@H]3CNC(=O)C3)C2=O)cc1	ZINC000370500029	556891454	/nfs/dbraw/zinc/89/14/54/556891454.db2.gz	OSLGEHCLLHFWTF-NEWSRXKRSA-N	1	1	366.465	2.044	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1	ZINC000370774088	556964138	/nfs/dbraw/zinc/96/41/38/556964138.db2.gz	NYKCXQDCNNFUOP-QUCCMNQESA-N	1	1	354.454	2.230	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)C1	ZINC000370879733	557000327	/nfs/dbraw/zinc/00/03/27/557000327.db2.gz	XZXUPKSGCXJAOQ-VQTJNVASSA-N	1	1	369.513	2.453	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000370893445	557005976	/nfs/dbraw/zinc/00/59/76/557005976.db2.gz	VFYDLMWFCTXDOZ-SJORKVTESA-N	1	1	360.502	2.194	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000370893445	557005979	/nfs/dbraw/zinc/00/59/79/557005979.db2.gz	VFYDLMWFCTXDOZ-SJORKVTESA-N	1	1	360.502	2.194	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000370893442	557005992	/nfs/dbraw/zinc/00/59/92/557005992.db2.gz	VFYDLMWFCTXDOZ-DLBZAZTESA-N	1	1	360.502	2.194	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000370893442	557005995	/nfs/dbraw/zinc/00/59/95/557005995.db2.gz	VFYDLMWFCTXDOZ-DLBZAZTESA-N	1	1	360.502	2.194	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000370896832	557007244	/nfs/dbraw/zinc/00/72/44/557007244.db2.gz	CVNPDKDCQMZDID-HNNXBMFYSA-N	1	1	360.483	2.425	20	30		FEEDMO
Cn1cc([C@@H]2[C@@H](CNC(=O)c3cccc(CC#N)c3)CCC[N@H+]2C)cn1	ZINC000370909706	557011623	/nfs/dbraw/zinc/01/16/23/557011623.db2.gz	DMIJEJNSIACWMV-MJGOQNOKSA-N	1	1	351.454	2.299	20	30		FEEDMO
C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CCOCCC#N	ZINC000517043168	562073039	/nfs/dbraw/zinc/07/30/39/562073039.db2.gz	IYRJLCNCBPBZII-HNNXBMFYSA-N	1	1	351.472	2.150	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC2(CCOC2=O)CC1	ZINC000371150319	557089614	/nfs/dbraw/zinc/08/96/14/557089614.db2.gz	DFXQJFMRLVXNRM-MRXNPFEDSA-N	1	1	355.438	2.351	20	30		FEEDMO
N#CCCC1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1	ZINC000517232607	562081481	/nfs/dbraw/zinc/08/14/81/562081481.db2.gz	AHHUDWCMPDIPDH-HXUWFJFHSA-N	1	1	370.497	2.479	20	30		FEEDMO
C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1	ZINC000371250244	557119724	/nfs/dbraw/zinc/11/97/24/557119724.db2.gz	URPDEPKBZOKKGI-UHFFFAOYSA-N	1	1	362.449	2.304	20	30		FEEDMO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCC(=O)Nc1ccc(C#N)cc1	ZINC000371288875	557132788	/nfs/dbraw/zinc/13/27/88/557132788.db2.gz	GAZCETFJHJGKTE-GUDVDZBRSA-N	1	1	356.470	2.070	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000371292792	557134034	/nfs/dbraw/zinc/13/40/34/557134034.db2.gz	RXJHFNYLOXAMGY-HNAYVOBHSA-N	1	1	367.453	2.482	20	30		FEEDMO
C[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[N@H+](C2CCC2)C1	ZINC000517469408	562090830	/nfs/dbraw/zinc/09/08/30/562090830.db2.gz	KKQSXIWEEGYARC-MRXNPFEDSA-N	1	1	356.470	2.453	20	30		FEEDMO
N#CC1(NC(=O)c2cc(C(N)=O)cs2)CC[NH+](Cc2ccccc2)CC1	ZINC000371529764	557211663	/nfs/dbraw/zinc/21/16/63/557211663.db2.gz	UWYOKUSTSXNPIB-UHFFFAOYSA-N	1	1	368.462	2.135	20	30		FEEDMO
CC(C)(C[N@@H+]1CCn2ccnc2C1)C(=O)N(CCC#N)Cc1ccccn1	ZINC000371542528	557216195	/nfs/dbraw/zinc/21/61/95/557216195.db2.gz	LCBHHJYMYIVZBY-UHFFFAOYSA-N	1	1	366.469	2.062	20	30		FEEDMO
CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)N(CCC#N)Cc1ccccn1	ZINC000371542528	557216197	/nfs/dbraw/zinc/21/61/97/557216197.db2.gz	LCBHHJYMYIVZBY-UHFFFAOYSA-N	1	1	366.469	2.062	20	30		FEEDMO
Cn1cc([C@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)c2ccccc2)cn1	ZINC000371709878	557271006	/nfs/dbraw/zinc/27/10/06/557271006.db2.gz	KLDRBXBJGAFPJL-OAQYLSRUSA-N	1	1	359.433	2.287	20	30		FEEDMO
C#CC[N@@H+](CCOCCO)[C@@H]1CCOc2ccc(Br)cc21	ZINC000371758726	557285011	/nfs/dbraw/zinc/28/50/11/557285011.db2.gz	AQWPCNWSFSYEQJ-OAHLLOKOSA-N	1	1	354.244	2.217	20	30		FEEDMO
C#CC[N@H+](CCOCCO)[C@@H]1CCOc2ccc(Br)cc21	ZINC000371758726	557285013	/nfs/dbraw/zinc/28/50/13/557285013.db2.gz	AQWPCNWSFSYEQJ-OAHLLOKOSA-N	1	1	354.244	2.217	20	30		FEEDMO
C=CCC(CC=C)C(=O)N1CCC2(C[C@H]2C(=O)N2CC[NH+](C)CC2)CC1	ZINC000371800520	557297553	/nfs/dbraw/zinc/29/75/53/557297553.db2.gz	BSXBDKYADXRLAX-SFHVURJKSA-N	1	1	359.514	2.158	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N	ZINC000372085971	557376491	/nfs/dbraw/zinc/37/64/91/557376491.db2.gz	QNCYEPVUIGKBGT-IRXDYDNUSA-N	1	1	370.453	2.027	20	30		FEEDMO
C[C@H](C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000372218832	557412408	/nfs/dbraw/zinc/41/24/08/557412408.db2.gz	QPVWZFXHPWMGEK-CKBPBPHLSA-N	1	1	366.465	2.120	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)nc1	ZINC000372424265	557467256	/nfs/dbraw/zinc/46/72/56/557467256.db2.gz	CYEVIMSRRLZQFF-KRWDZBQOSA-N	1	1	352.482	2.145	20	30		FEEDMO
CC(C)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	ZINC000372641644	557528041	/nfs/dbraw/zinc/52/80/41/557528041.db2.gz	UKDXYRJWEVXEOP-INIZCTEOSA-N	1	1	372.469	2.106	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](n2ccnn2)C1	ZINC000519768325	562143197	/nfs/dbraw/zinc/14/31/97/562143197.db2.gz	XHIXICCCEMQJPF-DOMZBBRYSA-N	1	1	358.833	2.467	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](n2ccnn2)C1	ZINC000519768325	562143198	/nfs/dbraw/zinc/14/31/98/562143198.db2.gz	XHIXICCCEMQJPF-DOMZBBRYSA-N	1	1	358.833	2.467	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000372948037	557594785	/nfs/dbraw/zinc/59/47/85/557594785.db2.gz	BFQVKYYIJBYKQD-PMPSAXMXSA-N	1	1	364.490	2.078	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000372948037	557594788	/nfs/dbraw/zinc/59/47/88/557594788.db2.gz	BFQVKYYIJBYKQD-PMPSAXMXSA-N	1	1	364.490	2.078	20	30		FEEDMO
N#Cc1c(F)ccc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c1Cl	ZINC000372993243	557605502	/nfs/dbraw/zinc/60/55/02/557605502.db2.gz	PEEZFQYQZISDNT-OAHLLOKOSA-N	1	1	351.809	2.220	20	30		FEEDMO
CCS(=O)(=O)CCCCC[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000373711452	557743157	/nfs/dbraw/zinc/74/31/57/557743157.db2.gz	LBKAWHUNPQVULE-UHFFFAOYSA-N	1	1	364.515	2.070	20	30		FEEDMO
CCS(=O)(=O)CCCCC[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000373711452	557743160	/nfs/dbraw/zinc/74/31/60/557743160.db2.gz	LBKAWHUNPQVULE-UHFFFAOYSA-N	1	1	364.515	2.070	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C	ZINC000520790723	562163769	/nfs/dbraw/zinc/16/37/69/562163769.db2.gz	BGWBMNASKAIJTA-GASCZTMLSA-N	1	1	372.469	2.275	20	30		FEEDMO
C[N@H+](C[C@@H]1CC12CCN(CC(=O)NCc1ccc(C#N)cc1)CC2)C1CC1	ZINC000374298321	557860893	/nfs/dbraw/zinc/86/08/93/557860893.db2.gz	VSGCWGIOGMAKOC-IBGZPJMESA-N	1	1	366.509	2.371	20	30		FEEDMO
C[N@@H+](C[C@@H]1CC12CCN(CC(=O)NCc1ccc(C#N)cc1)CC2)C1CC1	ZINC000374298321	557860897	/nfs/dbraw/zinc/86/08/97/557860897.db2.gz	VSGCWGIOGMAKOC-IBGZPJMESA-N	1	1	366.509	2.371	20	30		FEEDMO
N#C[C@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@]12C(=O)Nc1ccccc12	ZINC000374363586	557872173	/nfs/dbraw/zinc/87/21/73/557872173.db2.gz	CJXSELLFDDBWLB-LRDDRELGSA-N	1	1	353.344	2.301	20	30		FEEDMO
N#C[C@H]1C[N@H+](CCCOCC(F)(F)F)C[C@]12C(=O)Nc1ccccc12	ZINC000374363586	557872175	/nfs/dbraw/zinc/87/21/75/557872175.db2.gz	CJXSELLFDDBWLB-LRDDRELGSA-N	1	1	353.344	2.301	20	30		FEEDMO
C[C@@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)C1=CC[N@@H+](C)CC1	ZINC000374417215	557881349	/nfs/dbraw/zinc/88/13/49/557881349.db2.gz	UNAXKILHEVCUPA-MRXNPFEDSA-N	1	1	353.470	2.299	20	30		FEEDMO
C#CCCCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000374547296	557898028	/nfs/dbraw/zinc/89/80/28/557898028.db2.gz	FJRVCVPKBKBZMI-UHFFFAOYSA-N	1	1	351.454	2.097	20	30		FEEDMO
CN1CCC[C@]2(CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)C1=O	ZINC000375254363	557999449	/nfs/dbraw/zinc/99/94/49/557999449.db2.gz	YRWALYWPPUKHHX-GOSISDBHSA-N	1	1	360.845	2.094	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)NCc2c[nH+]c3n2CCCC3)cc1	ZINC000375333044	558010492	/nfs/dbraw/zinc/01/04/92/558010492.db2.gz	DWKOVVADUCAYSN-UHFFFAOYSA-N	1	1	365.437	2.275	20	30		FEEDMO
N#C[C@@H]1C[N@H+](CC2CCC3(CC2)OCCO3)C[C@@]12C(=O)Nc1ccccc12	ZINC000375434418	558026594	/nfs/dbraw/zinc/02/65/94/558026594.db2.gz	DQONFRDZCMVUOH-IIBYNOLFSA-N	1	1	367.449	2.265	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000375595650	558054519	/nfs/dbraw/zinc/05/45/19/558054519.db2.gz	IAPINZGJXSFJHH-DOTOQJQBSA-N	1	1	353.470	2.131	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@H](Nc3cc(OC)cc(OC)c3)C2)C1=O	ZINC000375615557	558057272	/nfs/dbraw/zinc/05/72/72/558057272.db2.gz	ZUDZOFOHGORRRJ-KXBFYZLASA-N	1	1	359.470	2.367	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1	ZINC000376508841	558182829	/nfs/dbraw/zinc/18/28/29/558182829.db2.gz	XTOCTTPCTJZRKX-GFCCVEGCSA-N	1	1	373.379	2.464	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1	ZINC000376508841	558182831	/nfs/dbraw/zinc/18/28/31/558182831.db2.gz	XTOCTTPCTJZRKX-GFCCVEGCSA-N	1	1	373.379	2.464	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1	ZINC000377239770	558296481	/nfs/dbraw/zinc/29/64/81/558296481.db2.gz	RJXOZAWZLVHPFM-LEWJYISDSA-N	1	1	368.525	2.042	20	30		FEEDMO
N#Cc1ccc(CN2CC[N@@H+](CC3CCC4(CC3)OCCO4)CC2=O)cc1	ZINC000377306377	558311303	/nfs/dbraw/zinc/31/13/03/558311303.db2.gz	PPNHJKUVTXYNMO-UHFFFAOYSA-N	1	1	369.465	2.136	20	30		FEEDMO
N#Cc1ccc(CN2CC[N@H+](CC3CCC4(CC3)OCCO4)CC2=O)cc1	ZINC000377306377	558311305	/nfs/dbraw/zinc/31/13/05/558311305.db2.gz	PPNHJKUVTXYNMO-UHFFFAOYSA-N	1	1	369.465	2.136	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000377443319	558341709	/nfs/dbraw/zinc/34/17/09/558341709.db2.gz	SFTMQGPOIQWRRC-LPHOPBHVSA-N	1	1	370.497	2.286	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O)c1ccccc1	ZINC000377498395	558352256	/nfs/dbraw/zinc/35/22/56/558352256.db2.gz	XBLFOIURGORHHD-JQHSSLGASA-N	1	1	354.454	2.052	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O)c1ccccc1	ZINC000377498395	558352259	/nfs/dbraw/zinc/35/22/59/558352259.db2.gz	XBLFOIURGORHHD-JQHSSLGASA-N	1	1	354.454	2.052	20	30		FEEDMO
Cc1cc(C)n(-c2cncc(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)n1	ZINC000522624275	562200520	/nfs/dbraw/zinc/20/05/20/562200520.db2.gz	KMYHDTMXRGHZDE-UHFFFAOYSA-N	1	1	373.464	2.473	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1	ZINC000377881077	558440901	/nfs/dbraw/zinc/44/09/01/558440901.db2.gz	USDBDFDFQSXYJI-RTBURBONSA-N	1	1	358.486	2.436	20	30		FEEDMO
C#CC[C@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1	ZINC000378275653	558517264	/nfs/dbraw/zinc/51/72/64/558517264.db2.gz	WJRZYUBULDMHQI-SFHVURJKSA-N	1	1	373.416	2.395	20	30		FEEDMO
C[C@H]1CCOCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000378504283	558571678	/nfs/dbraw/zinc/57/16/78/558571678.db2.gz	OXFRVXJDINDSSP-AWEZNQCLSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[C@H]1CCOCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000378504283	558571679	/nfs/dbraw/zinc/57/16/79/558571679.db2.gz	OXFRVXJDINDSSP-AWEZNQCLSA-N	1	1	354.372	2.284	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1C#N	ZINC000379708536	558602707	/nfs/dbraw/zinc/60/27/07/558602707.db2.gz	VPCWGCWXWCUDSL-HNNXBMFYSA-N	1	1	372.494	2.451	20	30		FEEDMO
C[C@H](C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409851836	558723345	/nfs/dbraw/zinc/72/33/45/558723345.db2.gz	ANTHJMROWSAIHV-NUJGCVRESA-N	1	1	366.469	2.128	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1	ZINC000524775418	562234525	/nfs/dbraw/zinc/23/45/25/562234525.db2.gz	GSEUKRDNZJUFQN-QGZVFWFLSA-N	1	1	356.470	2.171	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000411966078	558996473	/nfs/dbraw/zinc/99/64/73/558996473.db2.gz	LBVIHTBGLBMHCX-QVKFZJNVSA-N	1	1	362.433	2.014	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1	ZINC000411973208	558998046	/nfs/dbraw/zinc/99/80/46/558998046.db2.gz	WWGGFURWKNZKSG-BTYIYWSLSA-N	1	1	362.433	2.014	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)cc1	ZINC000411990581	558999792	/nfs/dbraw/zinc/99/97/92/558999792.db2.gz	XYINKOHOOARVQS-RBUKOAKNSA-N	1	1	362.433	2.088	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1	ZINC000412074420	559010216	/nfs/dbraw/zinc/01/02/16/559010216.db2.gz	RAANSCVBXUFFFC-CABCVRRESA-N	1	1	367.490	2.221	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)NCC[N@@H+]2CCCOCC2)c1C#N	ZINC000526128518	562267687	/nfs/dbraw/zinc/26/76/87/562267687.db2.gz	LVNYOXHJRBNOKA-UHFFFAOYSA-N	1	1	360.483	2.005	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)NCC[N@H+]2CCCOCC2)c1C#N	ZINC000526128518	562267688	/nfs/dbraw/zinc/26/76/88/562267688.db2.gz	LVNYOXHJRBNOKA-UHFFFAOYSA-N	1	1	360.483	2.005	20	30		FEEDMO
COCC[C@@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000413625513	559121141	/nfs/dbraw/zinc/12/11/41/559121141.db2.gz	NXCBLICBZCIALN-QGZVFWFLSA-N	1	1	358.486	2.448	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)CCC1	ZINC000526135723	562268045	/nfs/dbraw/zinc/26/80/45/562268045.db2.gz	GTJVNHGHANCSCB-UHFFFAOYSA-N	1	1	366.465	2.106	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)CCC1	ZINC000526135723	562268046	/nfs/dbraw/zinc/26/80/46/562268046.db2.gz	GTJVNHGHANCSCB-UHFFFAOYSA-N	1	1	366.465	2.106	20	30		FEEDMO
CC(C)(C[NH+]1CCOCC1)NC(=O)CCCCOc1cccc(C#N)c1	ZINC000413969405	559144138	/nfs/dbraw/zinc/14/41/38/559144138.db2.gz	VALBZCMISLSVCY-UHFFFAOYSA-N	1	1	359.470	2.334	20	30		FEEDMO
C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc(C#N)o2)c(F)c1	ZINC000414466860	559166256	/nfs/dbraw/zinc/16/62/56/559166256.db2.gz	ABVOELFCCFBRQU-UHFFFAOYSA-N	1	1	353.375	2.032	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C	ZINC000416772940	559332159	/nfs/dbraw/zinc/33/21/59/559332159.db2.gz	SKVHVUFZWOKVER-HUUCEWRRSA-N	1	1	360.458	2.264	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C	ZINC000416772940	559332160	/nfs/dbraw/zinc/33/21/60/559332160.db2.gz	SKVHVUFZWOKVER-HUUCEWRRSA-N	1	1	360.458	2.264	20	30		FEEDMO
Cc1cc(NC(=O)N(C)CCC[N@H+](C)CCN(C)C)c(C#N)cc1N(C)C	ZINC000417148062	559349977	/nfs/dbraw/zinc/34/99/77/559349977.db2.gz	CYBOHSWNYOQONE-UHFFFAOYSA-N	1	1	374.533	2.280	20	30		FEEDMO
Cc1cc(NC(=O)N(C)CCCN(C)CC[NH+](C)C)c(C#N)cc1N(C)C	ZINC000417148062	559349978	/nfs/dbraw/zinc/34/99/78/559349978.db2.gz	CYBOHSWNYOQONE-UHFFFAOYSA-N	1	1	374.533	2.280	20	30		FEEDMO
CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)[C@@H]1n1cccn1	ZINC000419299597	559435823	/nfs/dbraw/zinc/43/58/23/559435823.db2.gz	YVCYNOLXUKSASM-MLHJIOFPSA-N	1	1	367.453	2.068	20	30		FEEDMO
C[C@@H](CNC(=O)NCC1(C#N)CCC1)[NH+]1CCN(c2ccccc2)CC1	ZINC000419430884	559441776	/nfs/dbraw/zinc/44/17/76/559441776.db2.gz	WMIRYQJVUXDZIL-KRWDZBQOSA-N	1	1	355.486	2.190	20	30		FEEDMO
CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1	ZINC000419632585	559450687	/nfs/dbraw/zinc/45/06/87/559450687.db2.gz	GEBWTROXNGOEFI-LJQANCHMSA-N	1	1	356.470	2.299	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420742499	559501695	/nfs/dbraw/zinc/50/16/95/559501695.db2.gz	VEQHTCVPZTWYLP-LBPRGKRZSA-N	1	1	372.288	2.035	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C	ZINC000420924590	559511560	/nfs/dbraw/zinc/51/15/60/559511560.db2.gz	KELDEJNKNOJKFB-ZRGWGRIASA-N	1	1	351.491	2.483	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C	ZINC000420924590	559511561	/nfs/dbraw/zinc/51/15/61/559511561.db2.gz	KELDEJNKNOJKFB-ZRGWGRIASA-N	1	1	351.491	2.483	20	30		FEEDMO
CNC(=O)[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1	ZINC000420969556	559515329	/nfs/dbraw/zinc/51/53/29/559515329.db2.gz	FALFXUXRJUIACZ-HNNXBMFYSA-N	1	1	371.485	2.098	20	30		FEEDMO
CNC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1	ZINC000420969556	559515330	/nfs/dbraw/zinc/51/53/30/559515330.db2.gz	FALFXUXRJUIACZ-HNNXBMFYSA-N	1	1	371.485	2.098	20	30		FEEDMO
CCN1CCC([N@@H+]2CCCN(CCOc3ccccc3C#N)CC2)CC1	ZINC000420986094	559517450	/nfs/dbraw/zinc/51/74/50/559517450.db2.gz	XSVJXVDNIVYVPJ-UHFFFAOYSA-N	1	1	356.514	2.429	20	30		FEEDMO
CCN1CCC([N@H+]2CCCN(CCOc3ccccc3C#N)CC2)CC1	ZINC000420986094	559517451	/nfs/dbraw/zinc/51/74/51/559517451.db2.gz	XSVJXVDNIVYVPJ-UHFFFAOYSA-N	1	1	356.514	2.429	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NCC(C)(C)CC#N)C1CC1	ZINC000422375347	559583162	/nfs/dbraw/zinc/58/31/62/559583162.db2.gz	JIQMBANPFSKMGD-GOSISDBHSA-N	1	1	370.497	2.069	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21	ZINC000422529365	559593114	/nfs/dbraw/zinc/59/31/14/559593114.db2.gz	OYEGQRNIQOQQSB-XUVXKRRUSA-N	1	1	369.509	2.233	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C	ZINC000422533429	559593418	/nfs/dbraw/zinc/59/34/18/559593418.db2.gz	XHHCEIGMUZFZAF-QXAKKESOSA-N	1	1	357.498	2.089	20	30		FEEDMO
N#CCCC[C@H]([NH3+])C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1	ZINC000424111985	559655244	/nfs/dbraw/zinc/65/52/44/559655244.db2.gz	HVKSNDNGXHMSAM-INIZCTEOSA-N	1	1	352.442	2.199	20	30		FEEDMO
CC(C)N1CC[NH+](C2CCN(c3ncc4c(c3C#N)CCC4)CC2)CC1	ZINC000425247401	559693188	/nfs/dbraw/zinc/69/31/88/559693188.db2.gz	NTRHKXQJNQBGDO-UHFFFAOYSA-N	1	1	353.514	2.437	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)c1C#N	ZINC000527315180	562284999	/nfs/dbraw/zinc/28/49/99/562284999.db2.gz	AAZHOCSGSTZWLY-UHFFFAOYSA-N	1	1	367.482	2.170	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000425526260	559707870	/nfs/dbraw/zinc/70/78/70/559707870.db2.gz	JLAMVCWZXAYMRQ-MRXNPFEDSA-N	1	1	357.502	2.287	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2	ZINC000425796030	559719976	/nfs/dbraw/zinc/71/99/76/559719976.db2.gz	NBRHTKWYGXANHT-KSSFIOAISA-N	1	1	357.454	2.058	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2	ZINC000425796030	559719977	/nfs/dbraw/zinc/71/99/77/559719977.db2.gz	NBRHTKWYGXANHT-KSSFIOAISA-N	1	1	357.454	2.058	20	30		FEEDMO
C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1	ZINC000426568940	559738028	/nfs/dbraw/zinc/73/80/28/559738028.db2.gz	VBOYJBHOVCODSO-GOSISDBHSA-N	1	1	374.481	2.473	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ncc(C#N)cc2Cl)C[C@@H](C)O1	ZINC000427926359	559765418	/nfs/dbraw/zinc/76/54/18/559765418.db2.gz	XBOOZMZUOJLPHI-NFAWXSAZSA-N	1	1	362.861	2.320	20	30		FEEDMO
C[C@@H](c1ccccc1)[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)C(N)=O	ZINC000428865745	559785159	/nfs/dbraw/zinc/78/51/59/559785159.db2.gz	WTCWRSMPYCKFRO-KPZWWZAWSA-N	1	1	370.840	2.397	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@]2(CC[N@@H+](C)C2)C1	ZINC000429012120	559788211	/nfs/dbraw/zinc/78/82/11/559788211.db2.gz	UJLXIECYHBVVIB-ORAYPTAESA-N	1	1	358.511	2.463	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](C(=O)OC)C2)C1=O	ZINC000429113459	559790913	/nfs/dbraw/zinc/79/09/13/559790913.db2.gz	IILHAEWEIBJVSD-BBWFWOEESA-N	1	1	362.857	2.315	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+](C)CCCNC(=O)C2CCC2)c(C#N)c1C	ZINC000429530220	559800599	/nfs/dbraw/zinc/80/05/99/559800599.db2.gz	OVLQUPVPAGWHTP-UHFFFAOYSA-N	1	1	362.499	2.413	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+](C)CCCNC(=O)C2CCC2)c(C#N)c1C	ZINC000429530220	559800600	/nfs/dbraw/zinc/80/06/00/559800600.db2.gz	OVLQUPVPAGWHTP-UHFFFAOYSA-N	1	1	362.499	2.413	20	30		FEEDMO
C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC[N@H+]1C	ZINC000433873204	559889307	/nfs/dbraw/zinc/88/93/07/559889307.db2.gz	CSAGOEQKWFLVNP-HZMBPMFUSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC[N@@H+]1C	ZINC000433873204	559889306	/nfs/dbraw/zinc/88/93/06/559889306.db2.gz	CSAGOEQKWFLVNP-HZMBPMFUSA-N	1	1	372.288	2.082	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000433879886	559889575	/nfs/dbraw/zinc/88/95/75/559889575.db2.gz	NWNBSBYVKZOLLB-UHFFFAOYSA-N	1	1	372.288	2.035	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1	ZINC000434748313	559908345	/nfs/dbraw/zinc/90/83/45/559908345.db2.gz	RKZHOHSMQKIMLE-BOFXEDATSA-N	1	1	371.529	2.449	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000434748313	559908346	/nfs/dbraw/zinc/90/83/46/559908346.db2.gz	RKZHOHSMQKIMLE-BOFXEDATSA-N	1	1	371.529	2.449	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000434748313	559908347	/nfs/dbraw/zinc/90/83/47/559908347.db2.gz	RKZHOHSMQKIMLE-BOFXEDATSA-N	1	1	371.529	2.449	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)C[C@H]1[NH+]1CCOCC1	ZINC000435090247	559916046	/nfs/dbraw/zinc/91/60/46/559916046.db2.gz	ACBHZVJKZYHPOP-IEBWSBKVSA-N	1	1	353.466	2.159	20	30		FEEDMO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCCC(C)(C)C1	ZINC000435306288	559919906	/nfs/dbraw/zinc/91/99/06/559919906.db2.gz	UTYZNGXSBZGFEF-UHFFFAOYSA-N	1	1	373.501	2.291	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000435687455	559928096	/nfs/dbraw/zinc/92/80/96/559928096.db2.gz	GBKWZRYYFZWVOE-OAHLLOKOSA-N	1	1	366.421	2.409	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NCCC[N@@H+](C)CCN(C)C	ZINC000436503799	559943595	/nfs/dbraw/zinc/94/35/95/559943595.db2.gz	NIEMZIGMCTUJLZ-UHFFFAOYSA-N	1	1	361.490	2.350	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NCCCN(C)CC[NH+](C)C	ZINC000436503799	559943596	/nfs/dbraw/zinc/94/35/96/559943596.db2.gz	NIEMZIGMCTUJLZ-UHFFFAOYSA-N	1	1	361.490	2.350	20	30		FEEDMO
Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCC1	ZINC000527378214	562287192	/nfs/dbraw/zinc/28/71/92/562287192.db2.gz	KCTJPAMKYJZZTJ-INIZCTEOSA-N	1	1	351.454	2.372	20	30		FEEDMO
COc1cc(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1C#N	ZINC000442806050	560057856	/nfs/dbraw/zinc/05/78/56/560057856.db2.gz	BLEIDJPHVBXONI-CYBMUJFWSA-N	1	1	359.451	2.407	20	30		FEEDMO
COCC[N@H+]1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000443431900	560084048	/nfs/dbraw/zinc/08/40/48/560084048.db2.gz	PTJVHRXVJFPCET-UHFFFAOYSA-N	1	1	355.398	2.173	20	30		FEEDMO
COc1cccc([C@H](CNS(=O)(=O)c2ccc(C#N)c(C)c2)[NH+](C)C)c1	ZINC000443956756	560097388	/nfs/dbraw/zinc/09/73/88/560097388.db2.gz	DJHZFHFLFXBYAJ-IBGZPJMESA-N	1	1	373.478	2.457	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2C[C@H](C(=O)OCC)C3(COC3)C2)cc(OC)c1O	ZINC000449365110	560227175	/nfs/dbraw/zinc/22/71/75/560227175.db2.gz	OXESLUKTOMHMLJ-MRXNPFEDSA-N	1	1	361.438	2.141	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1	ZINC000449823099	560241379	/nfs/dbraw/zinc/24/13/79/560241379.db2.gz	YZGVKSVRQHJZHX-GFCCVEGCSA-N	1	1	366.259	2.300	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1	ZINC000449852532	560242786	/nfs/dbraw/zinc/24/27/86/560242786.db2.gz	DRZYUGSWAQIPOO-UHFFFAOYSA-N	1	1	366.259	2.254	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CC[N@H+]1C	ZINC000449943193	560245900	/nfs/dbraw/zinc/24/59/00/560245900.db2.gz	YHBQHRIBCFXCRC-YPMHNXCESA-N	1	1	366.259	2.298	20	30		FEEDMO
C[C@H]1C[N@@H+](CCOc2ccc(CCNc3nccc(C#N)n3)cc2)C[C@H]1C	ZINC000450418154	560261739	/nfs/dbraw/zinc/26/17/39/560261739.db2.gz	DXAADAAUYUTGJD-CALCHBBNSA-N	1	1	365.481	2.969	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000451177393	560291564	/nfs/dbraw/zinc/29/15/64/560291564.db2.gz	IFIOQCIVAYNDEO-KRWDZBQOSA-N	1	1	354.479	2.244	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000451177393	560291565	/nfs/dbraw/zinc/29/15/65/560291565.db2.gz	IFIOQCIVAYNDEO-KRWDZBQOSA-N	1	1	354.479	2.244	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C#N)[nH]c2C)[C@@H]1c1ccccc1	ZINC000451637210	560318491	/nfs/dbraw/zinc/31/84/91/560318491.db2.gz	WJQGTOUTOLGRGI-OALUTQOASA-N	1	1	352.438	2.387	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C#N)[nH]c2C)[C@@H]1c1ccccc1	ZINC000451637210	560318492	/nfs/dbraw/zinc/31/84/92/560318492.db2.gz	WJQGTOUTOLGRGI-OALUTQOASA-N	1	1	352.438	2.387	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1	ZINC000451648970	560319320	/nfs/dbraw/zinc/31/93/20/560319320.db2.gz	APDXWUSKKLAFCD-IXDOHACOSA-N	1	1	365.543	2.038	20	30		FEEDMO
COC[C@@]1(CO)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000451925643	560337959	/nfs/dbraw/zinc/33/79/59/560337959.db2.gz	GHZCIPRHFGYTQI-RXVVDRJESA-N	1	1	373.497	2.269	20	30		FEEDMO
COC[C@@]1(CO)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000451925642	560337980	/nfs/dbraw/zinc/33/79/80/560337980.db2.gz	GHZCIPRHFGYTQI-NQIIRXRSSA-N	1	1	373.497	2.269	20	30		FEEDMO
CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000451948765	560340160	/nfs/dbraw/zinc/34/01/60/560340160.db2.gz	VGXNHSAASZUGHF-NUEKZKHPSA-N	1	1	363.483	2.270	20	30		FEEDMO
CC(C)[NH+]1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CC1	ZINC000453595902	560390245	/nfs/dbraw/zinc/39/02/45/560390245.db2.gz	FKQFIKSCSMYUSP-UHFFFAOYSA-N	1	1	362.499	2.408	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1	ZINC000453670170	560395251	/nfs/dbraw/zinc/39/52/51/560395251.db2.gz	KVMMDOXJIHGGIB-MRXNPFEDSA-N	1	1	356.470	2.289	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1	ZINC000453686059	560396702	/nfs/dbraw/zinc/39/67/02/560396702.db2.gz	BKCDDHWLNQIVOZ-UHFFFAOYSA-N	1	1	370.453	2.052	20	30		FEEDMO
C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+]1C	ZINC000453713417	560398918	/nfs/dbraw/zinc/39/89/18/560398918.db2.gz	IFBARBBEZMUTEX-OCCSQVGLSA-N	1	1	362.861	2.286	20	30		FEEDMO
Cc1nc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)ccc1C#N	ZINC000453726003	560399797	/nfs/dbraw/zinc/39/97/97/560399797.db2.gz	CWNNYJWXPHBMAV-QGZVFWFLSA-N	1	1	369.469	2.114	20	30		FEEDMO
N#CCc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(Cl)c1	ZINC000453733320	560400324	/nfs/dbraw/zinc/40/03/24/560400324.db2.gz	WKYBJWOUYNIHEC-AWEZNQCLSA-N	1	1	360.845	2.041	20	30		FEEDMO
N#CCc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c(Cl)c1	ZINC000453733320	560400325	/nfs/dbraw/zinc/40/03/25/560400325.db2.gz	WKYBJWOUYNIHEC-AWEZNQCLSA-N	1	1	360.845	2.041	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1	ZINC000454594532	560450699	/nfs/dbraw/zinc/45/06/99/560450699.db2.gz	ZTKFPGJFJVIWIA-UHFFFAOYSA-N	1	1	373.501	2.495	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)[NH+]1CCOCC1	ZINC000455762220	560494206	/nfs/dbraw/zinc/49/42/06/560494206.db2.gz	YRMUDJLSYFJUPJ-OAHLLOKOSA-N	1	1	351.838	2.085	20	30		FEEDMO
C[NH+]1CCN(c2ncc(Br)cc2NC(=O)CCCC#N)CC1	ZINC000456551765	560524108	/nfs/dbraw/zinc/52/41/08/560524108.db2.gz	AVVCMXXOYRVRPB-UHFFFAOYSA-N	1	1	366.263	2.228	20	30		FEEDMO
N#Cc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F	ZINC000456834946	560534178	/nfs/dbraw/zinc/53/41/78/560534178.db2.gz	KDUXUMQKRJQFEH-LJQANCHMSA-N	1	1	353.397	2.215	20	30		FEEDMO
N#Cc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F	ZINC000456834946	560534179	/nfs/dbraw/zinc/53/41/79/560534179.db2.gz	KDUXUMQKRJQFEH-LJQANCHMSA-N	1	1	353.397	2.215	20	30		FEEDMO
CCN1CC[NH+](CC(C)(C)NC(=O)[C@H](C#N)CCc2ccccc2)CC1	ZINC000456886569	560535611	/nfs/dbraw/zinc/53/56/11/560535611.db2.gz	UMMNZPIDTOBEHS-IBGZPJMESA-N	1	1	356.514	2.291	20	30		FEEDMO
Cc1cc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ncc1C#N	ZINC000457470772	560568742	/nfs/dbraw/zinc/56/87/42/560568742.db2.gz	FGMWCGWEAMCBIE-INIZCTEOSA-N	1	1	364.449	2.412	20	30		FEEDMO
Cc1cc(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ncc1C#N	ZINC000457470772	560568743	/nfs/dbraw/zinc/56/87/43/560568743.db2.gz	FGMWCGWEAMCBIE-INIZCTEOSA-N	1	1	364.449	2.412	20	30		FEEDMO
N#CC[C@@H](CC(=O)NCC1([NH+]2CCOCC2)CCOCC1)c1ccccc1	ZINC000457986271	560598185	/nfs/dbraw/zinc/59/81/85/560598185.db2.gz	VJKQIXRNPSNGDE-IBGZPJMESA-N	1	1	371.481	2.072	20	30		FEEDMO
N#Cc1ccc(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1F	ZINC000459117721	560667693	/nfs/dbraw/zinc/66/76/93/560667693.db2.gz	KGJOOMFSOWQOJH-KRWDZBQOSA-N	1	1	360.433	2.094	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)NCc2ccc(C#N)c(F)c2)C[C@@H](C)O1	ZINC000459132829	560668936	/nfs/dbraw/zinc/66/89/36/560668936.db2.gz	XVKTUMJZAQCRRA-RKVPGOIHSA-N	1	1	374.460	2.481	20	30		FEEDMO
CC(C)n1cc([C@@H]2C[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C[C@H]2CO)cn1	ZINC000459469183	560688029	/nfs/dbraw/zinc/68/80/29/560688029.db2.gz	SIWMVCAYYSAMKR-IRXDYDNUSA-N	1	1	369.425	2.452	20	30		FEEDMO
CC(C)n1cc([C@@H]2C[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C[C@H]2CO)cn1	ZINC000459469183	560688031	/nfs/dbraw/zinc/68/80/31/560688031.db2.gz	SIWMVCAYYSAMKR-IRXDYDNUSA-N	1	1	369.425	2.452	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1	ZINC000459495528	560689787	/nfs/dbraw/zinc/68/97/87/560689787.db2.gz	VADGMKPSNQTVJG-HNNXBMFYSA-N	1	1	360.458	2.437	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@](O)(CO)C3)c2)c1	ZINC000459665827	560701053	/nfs/dbraw/zinc/70/10/53/560701053.db2.gz	BRHYJWNOWLUVHA-OAQYLSRUSA-N	1	1	352.434	2.456	20	30		FEEDMO
C=C[C@@H](CO)NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1	ZINC000460360061	560742303	/nfs/dbraw/zinc/74/23/03/560742303.db2.gz	DAINMNCPDLXJGQ-INIZCTEOSA-N	1	1	370.453	2.152	20	30		FEEDMO
COc1cc(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N	ZINC000460581752	560746477	/nfs/dbraw/zinc/74/64/77/560746477.db2.gz	AFVMQXGSTLJYPG-HXUWFJFHSA-N	1	1	365.433	2.084	20	30		FEEDMO
COc1cc(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N	ZINC000460581752	560746478	/nfs/dbraw/zinc/74/64/78/560746478.db2.gz	AFVMQXGSTLJYPG-HXUWFJFHSA-N	1	1	365.433	2.084	20	30		FEEDMO
COC(=O)[C@H](Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cccc(C#N)c1	ZINC000461098379	560761423	/nfs/dbraw/zinc/76/14/23/560761423.db2.gz	OVFJCVBGLZARGZ-WOJBJXKFSA-N	1	1	365.433	2.451	20	30		FEEDMO
COc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc1	ZINC000461793086	560784125	/nfs/dbraw/zinc/78/41/25/560784125.db2.gz	APKXBFYXTGRUTC-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
COc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc1	ZINC000461793086	560784126	/nfs/dbraw/zinc/78/41/26/560784126.db2.gz	APKXBFYXTGRUTC-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1	ZINC000461964912	560790031	/nfs/dbraw/zinc/79/00/31/560790031.db2.gz	WMCTWISTPICAOV-ZWKOTPCHSA-N	1	1	350.507	2.459	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1	ZINC000464799337	560851587	/nfs/dbraw/zinc/85/15/87/560851587.db2.gz	OKQKCPQQFYVKNI-MGPUTAFESA-N	1	1	372.444	2.063	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1	ZINC000464799337	560851588	/nfs/dbraw/zinc/85/15/88/560851588.db2.gz	OKQKCPQQFYVKNI-MGPUTAFESA-N	1	1	372.444	2.063	20	30		FEEDMO
COc1ccc(C(=O)N2CC[NH+](CCCSCC#N)CC2)c(OC)c1	ZINC000466707887	560893193	/nfs/dbraw/zinc/89/31/93/560893193.db2.gz	OMIRZEAXJQRVIU-UHFFFAOYSA-N	1	1	363.483	2.108	20	30		FEEDMO
Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ccc(C#N)c(F)c1	ZINC000470816471	560990343	/nfs/dbraw/zinc/99/03/43/560990343.db2.gz	OTGOMQNOBRVQCT-WMZOPIPTSA-N	1	1	359.424	2.475	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCC[N@H+](C)C(C)C)C2)n1	ZINC000472027894	561016364	/nfs/dbraw/zinc/01/63/64/561016364.db2.gz	BVBVWSMUKQWIIN-GOSISDBHSA-N	1	1	357.502	2.325	20	30		FEEDMO
C=CCOc1cccc(NC(=O)N2CC[NH+]([C@H](C)CC(=O)OC)CC2)c1	ZINC000472706618	561033471	/nfs/dbraw/zinc/03/34/71/561033471.db2.gz	CQIROUSKDXYBDT-OAHLLOKOSA-N	1	1	361.442	2.353	20	30		FEEDMO
COC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1	ZINC000475733584	561103700	/nfs/dbraw/zinc/10/37/00/561103700.db2.gz	LUYAMKPRPJRJEL-HXUWFJFHSA-N	1	1	351.450	2.364	20	30		FEEDMO
COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1	ZINC000475733584	561103701	/nfs/dbraw/zinc/10/37/01/561103701.db2.gz	LUYAMKPRPJRJEL-HXUWFJFHSA-N	1	1	351.450	2.364	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1	ZINC000528027702	562311720	/nfs/dbraw/zinc/31/17/20/562311720.db2.gz	UEQPHQMYUJRJHB-SCTDSRPQSA-N	1	1	359.470	2.160	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1	ZINC000528027702	562311721	/nfs/dbraw/zinc/31/17/21/562311721.db2.gz	UEQPHQMYUJRJHB-SCTDSRPQSA-N	1	1	359.470	2.160	20	30		FEEDMO
Cc1nccc([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3C#N)C2)n1	ZINC000528357139	562324558	/nfs/dbraw/zinc/32/45/58/562324558.db2.gz	UDBYOQMGZBNBHL-ZWKOTPCHSA-N	1	1	352.438	2.276	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1	ZINC000528427470	562328769	/nfs/dbraw/zinc/32/87/69/562328769.db2.gz	ZEUNUTBHPKYYHF-AEFFLSMTSA-N	1	1	367.453	2.104	20	30		FEEDMO
CC1(C)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1[C@H]1CCCO1	ZINC000528504118	562332815	/nfs/dbraw/zinc/33/28/15/562332815.db2.gz	MQZIDTXJLWPXOS-QZTJIDSGSA-N	1	1	352.434	2.175	20	30		FEEDMO
CC1(C)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1[C@H]1CCCO1	ZINC000528504118	562332816	/nfs/dbraw/zinc/33/28/16/562332816.db2.gz	MQZIDTXJLWPXOS-QZTJIDSGSA-N	1	1	352.434	2.175	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@@H+]([C@H]3CCN(C4CCCCC4)C3=O)C2)nc1	ZINC000528508645	562333114	/nfs/dbraw/zinc/33/31/14/562333114.db2.gz	RVLAQPYELUHBFS-ROUUACIJSA-N	1	1	354.454	2.340	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+]([C@H]3CCN(C4CCCCC4)C3=O)C2)nc1	ZINC000528508645	562333115	/nfs/dbraw/zinc/33/31/15/562333115.db2.gz	RVLAQPYELUHBFS-ROUUACIJSA-N	1	1	354.454	2.340	20	30		FEEDMO
CO[C@@H]1C[C@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2	ZINC000528515469	562333332	/nfs/dbraw/zinc/33/33/32/562333332.db2.gz	AAUDULZDNMXRNK-ZWKOTPCHSA-N	1	1	352.434	2.175	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1	ZINC000528516728	562333599	/nfs/dbraw/zinc/33/35/99/562333599.db2.gz	AIWKISIHCBHNON-VQTJNVASSA-N	1	1	366.461	2.159	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CC2(CCOCC2)CC[C@H]1CO	ZINC000528641865	562339782	/nfs/dbraw/zinc/33/97/82/562339782.db2.gz	WCWZDACTACVXIP-HNNXBMFYSA-N	1	1	363.483	2.202	20	30		FEEDMO
N#Cc1cccnc1-n1cc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cn1	ZINC000529061265	562358469	/nfs/dbraw/zinc/35/84/69/562358469.db2.gz	HHDHCNYFSADCOF-KRWDZBQOSA-N	1	1	365.441	2.277	20	30		FEEDMO
N#Cc1ccc(CC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1	ZINC000529409820	562372851	/nfs/dbraw/zinc/37/28/51/562372851.db2.gz	UTJWSHAAMHGAAS-PMACEKPBSA-N	1	1	360.461	2.476	20	30		FEEDMO
COCc1ccc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cc1C#N	ZINC000529816486	562386521	/nfs/dbraw/zinc/38/65/21/562386521.db2.gz	NIPHFZJKAFOQMG-UHFFFAOYSA-N	1	1	365.437	2.104	20	30		FEEDMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)Cc1cccc(C#N)c1	ZINC000530675594	562420196	/nfs/dbraw/zinc/42/01/96/562420196.db2.gz	UDEUVRADAGUARM-UHFFFAOYSA-N	1	1	362.477	2.381	20	30		FEEDMO
COC(=O)CCC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000533345159	562506022	/nfs/dbraw/zinc/50/60/22/562506022.db2.gz	NNPRJAPFNMCPNT-OAHLLOKOSA-N	1	1	361.467	2.390	20	30		FEEDMO
COC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1	ZINC000537175130	562587081	/nfs/dbraw/zinc/58/70/81/562587081.db2.gz	TZJWVEJVUPKGLK-SFHVURJKSA-N	1	1	362.426	2.448	20	30		FEEDMO
C[C@@H](C(=O)N1CCC(CC#N)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000541049743	562601375	/nfs/dbraw/zinc/60/13/75/562601375.db2.gz	UDDDJBOBQGRQFO-INIZCTEOSA-N	1	1	358.461	2.488	20	30		FEEDMO
CC(C)[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nnc2ccccn21	ZINC000541614226	562616549	/nfs/dbraw/zinc/61/65/49/562616549.db2.gz	XFIUWPSQHSTDFX-IBGZPJMESA-N	1	1	362.437	2.204	20	30		FEEDMO
N#CCCN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1	ZINC000602210234	567952917	/nfs/dbraw/zinc/95/29/17/567952917.db2.gz	NEOBWIYGSJYSFU-SFHVURJKSA-N	1	1	358.461	2.096	20	30		FEEDMO
CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1CCN(CC(F)(F)F)C1	ZINC000602893146	568009131	/nfs/dbraw/zinc/00/91/31/568009131.db2.gz	TXTMKMPUURNQBG-AWEZNQCLSA-N	1	1	360.424	2.288	20	30		FEEDMO
C[C@H]([NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)C(=O)NC1(C#N)CCC1	ZINC000603142110	568067177	/nfs/dbraw/zinc/06/71/77/568067177.db2.gz	BTWGFCZDKREXTM-NWANDNLSSA-N	1	1	369.387	2.061	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)n1cc(C[NH2+][C@H]2CCc3ccccc32)nn1	ZINC000603240307	568080443	/nfs/dbraw/zinc/08/04/43/568080443.db2.gz	SBHLAMLETYMJCP-KDOFPFPSSA-N	1	1	364.453	2.179	20	30		FEEDMO
C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C#Cc3cccs3)c2)C1	ZINC000606108253	568659821	/nfs/dbraw/zinc/65/98/21/568659821.db2.gz	RISORHHYOJMZIB-MRXNPFEDSA-N	1	1	367.474	2.154	20	30		FEEDMO
CCc1cc(NC[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)nc(C)[nH+]1	ZINC000328605673	571134586	/nfs/dbraw/zinc/13/45/86/571134586.db2.gz	ORKNJRRCCFVLRN-CQSZACIVSA-N	1	1	356.474	2.931	20	30		FEEDMO
C=C(Br)C[N@H+](C)[C@H](C)C1CCN(S(=O)(=O)CC)CC1	ZINC000808775756	674471900	/nfs/dbraw/zinc/47/19/00/674471900.db2.gz	JNZIYRWJFXAACX-GFCCVEGCSA-N	1	1	353.326	2.277	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000810071275	674529399	/nfs/dbraw/zinc/52/93/99/674529399.db2.gz	AJNQEFXJLIWUTN-ZDUSSCGKSA-N	1	1	355.360	2.457	20	30		FEEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000819745704	606888722	/nfs/dbraw/zinc/88/87/22/606888722.db2.gz	PYUPKEKHKQZZFY-LJQANCHMSA-N	1	1	360.421	2.460	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)c2c(c1)OCCO2	ZINC000560703060	674610488	/nfs/dbraw/zinc/61/04/88/674610488.db2.gz	ZCUJGGVPKQWHQR-UHFFFAOYSA-N	1	1	361.833	2.353	20	30		FEEDMO
N#Cc1cnc2c(F)c(F)c(F)cc2c1NCCC[NH+]1CCOCC1	ZINC000561098124	674636538	/nfs/dbraw/zinc/63/65/38/674636538.db2.gz	RODPCYKAYXYMHB-UHFFFAOYSA-N	1	1	350.344	2.080	20	30		FEEDMO
COC(=O)[C@H]([NH2+]CCCC1(C#N)CCOCC1)[C@@H]1CCC[C@@H](OC)C1	ZINC000563220713	674859686	/nfs/dbraw/zinc/85/96/86/674859686.db2.gz	BUTFZVSCQVXTBM-BRWVUGGUSA-N	1	1	352.475	2.423	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)/C=C\c1ccc(Br)cc1	ZINC000815082316	674913876	/nfs/dbraw/zinc/91/38/76/674913876.db2.gz	KOADGSMYZRSOSQ-LCYFTJDESA-N	1	1	371.300	2.294	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@@H](c3nnc[nH]3)C1)CCC2	ZINC000563884630	674950062	/nfs/dbraw/zinc/95/00/62/674950062.db2.gz	WJZJUGSVUGJMMP-LLVKDONJSA-N	1	1	356.455	2.045	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)OC	ZINC001048526329	675008894	/nfs/dbraw/zinc/00/88/94/675008894.db2.gz	RVYFUYDENKVONA-UESMBRTFSA-N	1	1	350.503	2.362	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@@H]2C1	ZINC001049111472	675023410	/nfs/dbraw/zinc/02/34/10/675023410.db2.gz	SCMXYSOSWFELET-MVJTYMMSSA-N	1	1	361.511	2.323	20	30		FEEDMO
C=CCCCCCNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1	ZINC000565229977	675104237	/nfs/dbraw/zinc/10/42/37/675104237.db2.gz	VLSWHOKFYPKONV-OAHLLOKOSA-N	1	1	363.527	2.474	20	30		FEEDMO
C=CCCCCCNC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1	ZINC000565229977	675104238	/nfs/dbraw/zinc/10/42/38/675104238.db2.gz	VLSWHOKFYPKONV-OAHLLOKOSA-N	1	1	363.527	2.474	20	30		FEEDMO
C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CCCS(=O)(=O)C1	ZINC000069141127	670481182	/nfs/dbraw/zinc/48/11/82/670481182.db2.gz	RUTNUSGPFACKQW-CQSZACIVSA-N	1	1	372.284	2.128	20	30		FEEDMO
N#CC1(CS(=O)(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1	ZINC000573672384	671149840	/nfs/dbraw/zinc/14/98/40/671149840.db2.gz	FYKFLUMJBGOBKK-SFHVURJKSA-N	1	1	361.511	2.164	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc(Br)c(C#N)cc1F	ZINC000574770948	671275975	/nfs/dbraw/zinc/27/59/75/671275975.db2.gz	NCCTUZSVHDNRPE-QWRGUYRKSA-N	1	1	356.239	2.351	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1Cl	ZINC000817947032	675187725	/nfs/dbraw/zinc/18/77/25/675187725.db2.gz	RVHRUCYLLBQOBJ-AWEZNQCLSA-N	1	1	350.846	2.114	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1Cl	ZINC000817947032	675187729	/nfs/dbraw/zinc/18/77/29/675187729.db2.gz	RVHRUCYLLBQOBJ-AWEZNQCLSA-N	1	1	350.846	2.114	20	30		FEEDMO
CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000566228365	675196234	/nfs/dbraw/zinc/19/62/34/675196234.db2.gz	MLDFOWVMFOTXMQ-LBPRGKRZSA-N	1	1	372.288	2.083	20	30		FEEDMO
Cc1ccnc(NC(=O)C[N@H+](C)CCC(=O)Nc2sccc2C#N)c1	ZINC000609040586	675909314	/nfs/dbraw/zinc/90/93/14/675909314.db2.gz	ZQWRHIJDQQFLDO-UHFFFAOYSA-N	1	1	357.439	2.222	20	30		FEEDMO
Cc1ccnc(NC(=O)C[N@@H+](C)CCC(=O)Nc2sccc2C#N)c1	ZINC000609040586	675909318	/nfs/dbraw/zinc/90/93/18/675909318.db2.gz	ZQWRHIJDQQFLDO-UHFFFAOYSA-N	1	1	357.439	2.222	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000577822783	671622140	/nfs/dbraw/zinc/62/21/40/671622140.db2.gz	RFARMVUVDGRXKB-GFCCVEGCSA-N	1	1	366.259	2.158	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+](CCO)[C@H]2CCCSC2)c(C#N)c1C	ZINC000578598204	671676049	/nfs/dbraw/zinc/67/60/49/671676049.db2.gz	WLSINUPEZBCZDT-ZDUSSCGKSA-N	1	1	353.513	2.365	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+](CCO)[C@H]2CCCSC2)c(C#N)c1C	ZINC000578598204	671676052	/nfs/dbraw/zinc/67/60/52/671676052.db2.gz	WLSINUPEZBCZDT-ZDUSSCGKSA-N	1	1	353.513	2.365	20	30		FEEDMO
CC1(C)Oc2ccsc2[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)[C@@H]1O	ZINC000580193190	671789483	/nfs/dbraw/zinc/78/94/83/671789483.db2.gz	MVELWXKNOLHMCW-HIFRSBDPSA-N	1	1	355.423	2.025	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCNC(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000583184460	672071333	/nfs/dbraw/zinc/07/13/33/672071333.db2.gz	IXNGVIKWSQHXJE-LBPRGKRZSA-N	1	1	366.259	2.158	20	30		FEEDMO
CSC[C@H]1CCC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000131014007	672082836	/nfs/dbraw/zinc/08/28/36/672082836.db2.gz	QTNJPIVJUDIMNU-CRAIPNDOSA-N	1	1	358.467	2.110	20	30		FEEDMO
CSC[C@H]1CCC[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000131014007	672082839	/nfs/dbraw/zinc/08/28/39/672082839.db2.gz	QTNJPIVJUDIMNU-CRAIPNDOSA-N	1	1	358.467	2.110	20	30		FEEDMO
C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cccc(Cl)c3C#N)C2)C1	ZINC000590165489	672563065	/nfs/dbraw/zinc/56/30/65/672563065.db2.gz	ZVAWAFPRRVOQOR-MRXNPFEDSA-N	1	1	353.875	2.318	20	30		FEEDMO
C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CSCc1ccc(C#N)cc1	ZINC000590402447	672579414	/nfs/dbraw/zinc/57/94/14/672579414.db2.gz	UGDDQPCEAASZBH-ZWKOTPCHSA-N	1	1	359.495	2.113	20	30		FEEDMO
C=CCn1c(C2CC2)nn(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1=S	ZINC000188842752	672599168	/nfs/dbraw/zinc/59/91/68/672599168.db2.gz	TYNCDQNQDBTAQH-CQSZACIVSA-N	1	1	365.547	2.212	20	30		FEEDMO
CCc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000261773540	672902998	/nfs/dbraw/zinc/90/29/98/672902998.db2.gz	SNTIZYORLPUPCN-LJQANCHMSA-N	1	1	355.463	2.456	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(CS(C)(=O)=O)o1)C(C)C	ZINC000263640878	672936979	/nfs/dbraw/zinc/93/69/79/672936979.db2.gz	AASIKIACMBWRNW-MRXNPFEDSA-N	1	1	368.499	2.253	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(Cl)c1	ZINC000594327973	673059155	/nfs/dbraw/zinc/05/91/55/673059155.db2.gz	YHNDYGZQASKGTG-CVEARBPZSA-N	1	1	360.845	2.283	20	30		FEEDMO
CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1	ZINC000328927809	673069368	/nfs/dbraw/zinc/06/93/68/673069368.db2.gz	XJMDNHXWCJREQI-CYBMUJFWSA-N	1	1	371.528	2.322	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1	ZINC000328927809	673069377	/nfs/dbraw/zinc/06/93/77/673069377.db2.gz	XJMDNHXWCJREQI-CYBMUJFWSA-N	1	1	371.528	2.322	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1	ZINC000594483474	673087120	/nfs/dbraw/zinc/08/71/20/673087120.db2.gz	LJOUMGSRPPIIRK-SJORKVTESA-N	1	1	351.447	2.134	20	30		FEEDMO
CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000594792374	673144192	/nfs/dbraw/zinc/14/41/92/673144192.db2.gz	QAPNCDVUHKLZML-LLVKDONJSA-N	1	1	357.426	2.235	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000594792374	673144198	/nfs/dbraw/zinc/14/41/98/673144198.db2.gz	QAPNCDVUHKLZML-LLVKDONJSA-N	1	1	357.426	2.235	20	30		FEEDMO
C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCC[C@H](CC#N)C2)ccc1Cl	ZINC000595085574	673191786	/nfs/dbraw/zinc/19/17/86/673191786.db2.gz	RGNHAXCTLBMYBC-CYBMUJFWSA-N	1	1	362.861	2.492	20	30		FEEDMO
C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCC[C@@H](CC#N)C2)ccc1Cl	ZINC000595085575	673191868	/nfs/dbraw/zinc/19/18/68/673191868.db2.gz	RGNHAXCTLBMYBC-ZDUSSCGKSA-N	1	1	362.861	2.492	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc2c(c(Br)c1)OCO2	ZINC000729812350	673249347	/nfs/dbraw/zinc/24/93/47/673249347.db2.gz	SQEDJYJRRCRCJP-LBPRGKRZSA-N	1	1	366.211	2.432	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1	ZINC000730095768	673261919	/nfs/dbraw/zinc/26/19/19/673261919.db2.gz	FQXCXVDAMSJWDG-IBGZPJMESA-N	1	1	359.901	2.472	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1	ZINC000730095768	673261924	/nfs/dbraw/zinc/26/19/24/673261924.db2.gz	FQXCXVDAMSJWDG-IBGZPJMESA-N	1	1	359.901	2.472	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCOc1ccc(Br)cc1	ZINC000730282324	673268413	/nfs/dbraw/zinc/26/84/13/673268413.db2.gz	DZHRZLBVJPZOHF-HNNXBMFYSA-N	1	1	351.244	2.042	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCOc1ccc(Br)cc1	ZINC000730282324	673268416	/nfs/dbraw/zinc/26/84/16/673268416.db2.gz	DZHRZLBVJPZOHF-HNNXBMFYSA-N	1	1	351.244	2.042	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC(F)(F)[C@@H](CO)C1	ZINC000463228211	673301954	/nfs/dbraw/zinc/30/19/54/673301954.db2.gz	AIXUSGWIDRNCGE-GYMHETDLSA-N	1	1	357.445	2.255	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC(F)(F)[C@@H](CO)C1	ZINC000463228211	673301955	/nfs/dbraw/zinc/30/19/55/673301955.db2.gz	AIXUSGWIDRNCGE-GYMHETDLSA-N	1	1	357.445	2.255	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC(F)(F)[C@H](CO)C1	ZINC000463228210	673301965	/nfs/dbraw/zinc/30/19/65/673301965.db2.gz	AIXUSGWIDRNCGE-GWUWNPHMSA-N	1	1	357.445	2.255	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC(F)(F)[C@H](CO)C1	ZINC000463228210	673301966	/nfs/dbraw/zinc/30/19/66/673301966.db2.gz	AIXUSGWIDRNCGE-GWUWNPHMSA-N	1	1	357.445	2.255	20	30		FEEDMO
C=C[C@H](CO)[NH2+]CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2	ZINC000595863963	673331752	/nfs/dbraw/zinc/33/17/52/673331752.db2.gz	LWXUYECCRVZPEP-NWDGAFQWSA-N	1	1	366.483	2.125	20	30		FEEDMO
C[NH+]1CCN(C(=O)CC2CCN(c3nc(C#N)c(Cl)s3)CC2)CC1	ZINC000596120238	673360650	/nfs/dbraw/zinc/36/06/50/673360650.db2.gz	HWDNVDOJZWUSOW-UHFFFAOYSA-N	1	1	367.906	2.049	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1	ZINC000536348190	673368116	/nfs/dbraw/zinc/36/81/16/673368116.db2.gz	HHIYFSYDFDFHBS-ZWKOTPCHSA-N	1	1	359.495	2.161	20	30		FEEDMO
C=CCCSCCNC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1	ZINC000596717011	673406967	/nfs/dbraw/zinc/40/69/67/673406967.db2.gz	DEINSSQSCACQPU-UHFFFAOYSA-N	1	1	368.591	2.497	20	30		FEEDMO
C=CCCSCCNC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1	ZINC000596717011	673406968	/nfs/dbraw/zinc/40/69/68/673406968.db2.gz	DEINSSQSCACQPU-UHFFFAOYSA-N	1	1	368.591	2.497	20	30		FEEDMO
COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc(Cl)c1OCC(N)=O	ZINC000597173866	673453670	/nfs/dbraw/zinc/45/36/70/673453670.db2.gz	MGZFQEOFJXBMHG-LBPRGKRZSA-N	1	1	351.834	2.338	20	30		FEEDMO
COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc(Cl)c1OCC(N)=O	ZINC000597173866	673453672	/nfs/dbraw/zinc/45/36/72/673453672.db2.gz	MGZFQEOFJXBMHG-LBPRGKRZSA-N	1	1	351.834	2.338	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC(=S)NCC(F)(F)F	ZINC000734365564	673461241	/nfs/dbraw/zinc/46/12/41/673461241.db2.gz	LRNHDSHYDUQEOT-LLVKDONJSA-N	1	1	359.421	2.306	20	30		FEEDMO
C[NH+]1CCN(N=C2C(=O)Nc3c2cc(Br)cc3Cl)CC1	ZINC000735608436	673497847	/nfs/dbraw/zinc/49/78/47/673497847.db2.gz	AMWIBQCPLDVRPR-UHFFFAOYSA-N	1	1	357.639	2.006	20	30		FEEDMO
C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599411590	673671631	/nfs/dbraw/zinc/67/16/31/673671631.db2.gz	AOOMEHPDSIICSJ-CYBMUJFWSA-N	1	1	362.455	2.301	20	30		FEEDMO
C[N@H+](Cc1nc(-c2cccs2)no1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599411590	673671635	/nfs/dbraw/zinc/67/16/35/673671635.db2.gz	AOOMEHPDSIICSJ-CYBMUJFWSA-N	1	1	362.455	2.301	20	30		FEEDMO
CCc1ccc([C@@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000543806425	673671815	/nfs/dbraw/zinc/67/18/15/673671815.db2.gz	CHFOGAZBGJFBLK-LJQANCHMSA-N	1	1	358.463	2.218	20	30		FEEDMO
C[C@H](C(=O)OC(C)(C)C)[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000599437205	673675578	/nfs/dbraw/zinc/67/55/78/673675578.db2.gz	PLDIFBZXHHSUCW-ZBFHGGJFSA-N	1	1	352.475	2.252	20	30		FEEDMO
C[C@H](C(=O)OC(C)(C)C)[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000599437205	673675580	/nfs/dbraw/zinc/67/55/80/673675580.db2.gz	PLDIFBZXHHSUCW-ZBFHGGJFSA-N	1	1	352.475	2.252	20	30		FEEDMO
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1	ZINC000614386214	676172657	/nfs/dbraw/zinc/17/26/57/676172657.db2.gz	ADHGWHVBMUGSET-KRWDZBQOSA-N	1	1	367.877	2.174	20	30		FEEDMO
C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1	ZINC000614386214	676172658	/nfs/dbraw/zinc/17/26/58/676172658.db2.gz	ADHGWHVBMUGSET-KRWDZBQOSA-N	1	1	367.877	2.174	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)[C@@H](C)C1	ZINC000601357018	673847602	/nfs/dbraw/zinc/84/76/02/673847602.db2.gz	YGJLMWQUTYQBDV-XJKSGUPXSA-N	1	1	353.463	2.357	20	30		FEEDMO
CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000601447122	673863939	/nfs/dbraw/zinc/86/39/39/673863939.db2.gz	HSRXBSHEWUVTER-CQSZACIVSA-N	1	1	373.400	2.292	20	30		FEEDMO
CN(CC[NH2+]Cc1cccc(F)c1C#N)S(=O)(=O)c1cccs1	ZINC000602010691	673901003	/nfs/dbraw/zinc/90/10/03/673901003.db2.gz	HLTIWQFVKAMIDL-UHFFFAOYSA-N	1	1	353.444	2.169	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H](n2cc(C[NH+]3CCCCC3)nn2)C1=O	ZINC000603192438	673919223	/nfs/dbraw/zinc/91/92/23/673919223.db2.gz	JBWXOJYAWFWBMU-HNNXBMFYSA-N	1	1	356.455	2.175	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)COc1ccc(F)cc1Br	ZINC000818609114	675228458	/nfs/dbraw/zinc/22/84/58/675228458.db2.gz	LCJXMLOAWBYOAN-UHFFFAOYSA-N	1	1	357.223	2.038	20	30		FEEDMO
CC1(C)Oc2ccsc2[C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)[C@H]1O	ZINC000821311455	675425987	/nfs/dbraw/zinc/42/59/87/675425987.db2.gz	ACFVWURGEKXPSY-GOEBONIOSA-N	1	1	363.483	2.253	20	30		FEEDMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C#Cc1cccs1	ZINC000826120179	675682659	/nfs/dbraw/zinc/68/26/59/675682659.db2.gz	BLZUJRMUFFFIGV-UHFFFAOYSA-N	1	1	353.491	2.380	20	30		FEEDMO
C#CCN(CC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)C(=O)OC(C)(C)C	ZINC000828490356	675823498	/nfs/dbraw/zinc/82/34/98/675823498.db2.gz	CSWCXPZBZZEAFV-HZPDHXFCSA-N	1	1	351.491	2.188	20	30		FEEDMO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1(C)COC1	ZINC000625792324	676672814	/nfs/dbraw/zinc/67/28/14/676672814.db2.gz	VMCFYHQMRIWOSR-UHFFFAOYSA-N	1	1	354.372	2.141	20	30		FEEDMO
CNS(=O)(=O)C[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000626168344	676693315	/nfs/dbraw/zinc/69/33/15/676693315.db2.gz	QBWMZUTXWNOJSE-OAHLLOKOSA-N	1	1	374.428	2.318	20	30		FEEDMO
CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000626168344	676693317	/nfs/dbraw/zinc/69/33/17/676693317.db2.gz	QBWMZUTXWNOJSE-OAHLLOKOSA-N	1	1	374.428	2.318	20	30		FEEDMO
C=CCc1ccc(OCC(=O)N2CC[NH+](CCCF)CC2)c(OC)c1	ZINC000627954841	676782090	/nfs/dbraw/zinc/78/20/90/676782090.db2.gz	JTDMNAZNOFDPCF-UHFFFAOYSA-N	1	1	350.434	2.306	20	30		FEEDMO
CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1	ZINC000646113019	677279489	/nfs/dbraw/zinc/27/94/89/677279489.db2.gz	XCVOPSVTDJGNFK-VIFPVBQESA-N	1	1	372.256	2.201	20	30		FEEDMO
C[NH+]1CCN(N=C2CCOc3c2cc(Br)cc3[N+](=O)[O-])CC1	ZINC000761792682	680731672	/nfs/dbraw/zinc/73/16/72/680731672.db2.gz	FUALFWUZDNNPSN-UHFFFAOYSA-N	1	1	369.219	2.091	20	30		FEEDMO
C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C1	ZINC000661378517	678472390	/nfs/dbraw/zinc/47/23/90/678472390.db2.gz	HYMTYXKAPUAIPS-OAHLLOKOSA-N	1	1	365.499	2.177	20	30		FEEDMO
C[N@@H+](CC(=O)NC1CCN(c2ccccc2C#N)CC1)[C@@H]1CCSC1	ZINC000764061484	680799215	/nfs/dbraw/zinc/79/92/15/680799215.db2.gz	GVYXSAFUVSHRMG-QGZVFWFLSA-N	1	1	358.511	2.081	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C1CC(NC(=O)OC(C)(C)C)C1	ZINC000831232252	679951500	/nfs/dbraw/zinc/95/15/00/679951500.db2.gz	KKCBSCDRDIDKFR-JRSKDTKFSA-N	1	1	352.479	2.028	20	30		FEEDMO
C#CC[N@@H+](CC)CC(=O)N(C)CCOc1ccc(Br)cc1	ZINC000749155574	680023812	/nfs/dbraw/zinc/02/38/12/680023812.db2.gz	VOLSFAPQGYLJMQ-UHFFFAOYSA-N	1	1	353.260	2.241	20	30		FEEDMO
C#CC[N@H+](CC)CC(=O)N(C)CCOc1ccc(Br)cc1	ZINC000749155574	680023815	/nfs/dbraw/zinc/02/38/15/680023815.db2.gz	VOLSFAPQGYLJMQ-UHFFFAOYSA-N	1	1	353.260	2.241	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCC2CCOCC2)C1	ZINC001015819869	680053095	/nfs/dbraw/zinc/05/30/95/680053095.db2.gz	SFXQNGSLTGPVHU-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccns1	ZINC001021384852	680152987	/nfs/dbraw/zinc/15/29/87/680152987.db2.gz	DBIPQPYNTNJHQJ-GPFKCLTHSA-N	1	1	361.511	2.388	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccns2)CC1(C)C	ZINC000977317979	680160121	/nfs/dbraw/zinc/16/01/21/680160121.db2.gz	PWODNIRCGRYKMB-BBWFWOEESA-N	1	1	363.527	2.493	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3nc(C)cs3)C[C@H]21	ZINC000978168504	680170419	/nfs/dbraw/zinc/17/04/19/680170419.db2.gz	PGKMGIMXXHAVRM-MTSZKFMLSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)cs3)C[C@H]21	ZINC000978168504	680170422	/nfs/dbraw/zinc/17/04/22/680170422.db2.gz	PGKMGIMXXHAVRM-MTSZKFMLSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(CCC)s2)C1	ZINC001022099894	680196334	/nfs/dbraw/zinc/19/63/34/680196334.db2.gz	TUWZGKMNRFQZSD-BARDWOONSA-N	1	1	364.515	2.209	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2nnc(C)s2)C1	ZINC001022843157	680241960	/nfs/dbraw/zinc/24/19/60/680241960.db2.gz	XZAYKZZLDFLSPR-IKSZGEOFSA-N	1	1	350.488	2.126	20	30		FEEDMO
C#CCN1CCC(C(=O)N(CC[NH+](CC)CC)CCC(F)(F)F)CC1	ZINC000752493777	680245442	/nfs/dbraw/zinc/24/54/42/680245442.db2.gz	ZBNJGTYCOOTXNT-UHFFFAOYSA-N	1	1	361.452	2.454	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(OC)ns2)C1	ZINC001023599364	680264926	/nfs/dbraw/zinc/26/49/26/680264926.db2.gz	ILXWZWDUGXAQTM-IMJJTQAJSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(OC)ns2)C1	ZINC001023599364	680264929	/nfs/dbraw/zinc/26/49/29/680264929.db2.gz	ILXWZWDUGXAQTM-IMJJTQAJSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C(Br)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001023605891	680265984	/nfs/dbraw/zinc/26/59/84/680265984.db2.gz	LWLIVRAYOGCJIL-YJNKXOJESA-N	1	1	357.292	2.291	20	30		FEEDMO
C=C(Br)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001023605891	680265988	/nfs/dbraw/zinc/26/59/88/680265988.db2.gz	LWLIVRAYOGCJIL-YJNKXOJESA-N	1	1	357.292	2.291	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](CCC2CCOCC2)CC1	ZINC000982173754	680272562	/nfs/dbraw/zinc/27/25/62/680272562.db2.gz	QKQMIDYJOCAFLX-OALUTQOASA-N	1	1	350.503	2.319	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2cnsn2)C1	ZINC001024192497	680283599	/nfs/dbraw/zinc/28/35/99/680283599.db2.gz	SXIYMNNNTIZQRB-XIRDDKMYSA-N	1	1	364.515	2.238	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CCOCC1	ZINC001024443254	680289618	/nfs/dbraw/zinc/28/96/18/680289618.db2.gz	FXLRPSLWCZPVTG-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
O=C1Nc2ccc(C(F)(F)F)cc2C1=NNC1=[NH+][C@@H]2CCCC[C@H]2N1	ZINC000753935361	680325267	/nfs/dbraw/zinc/32/52/67/680325267.db2.gz	NPVJXWZSUZLWRR-VXGBXAGGSA-N	1	1	351.332	2.222	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC1CCOCC1	ZINC001028146980	680370621	/nfs/dbraw/zinc/37/06/21/680370621.db2.gz	NWQSTBADJMDYKX-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC001028607440	680378724	/nfs/dbraw/zinc/37/87/24/680378724.db2.gz	RXNKNBUHGFKNLY-ZMSDIMECSA-N	1	1	366.893	2.171	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC001028607440	680378728	/nfs/dbraw/zinc/37/87/28/680378728.db2.gz	RXNKNBUHGFKNLY-ZMSDIMECSA-N	1	1	366.893	2.171	20	30		FEEDMO
C[N@@H+](CCCNc1cccc(S(N)(=O)=O)c1C#N)Cc1ccccc1	ZINC000754973087	680390873	/nfs/dbraw/zinc/39/08/73/680390873.db2.gz	HTLDMIBRSNRBDD-UHFFFAOYSA-N	1	1	358.467	2.140	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NCC2CN(CC#Cc3ccc(Cl)cc3)C2)CC[N@H+]1C	ZINC001031681504	680406185	/nfs/dbraw/zinc/40/61/85/680406185.db2.gz	VSWBBUJPVMDQLW-DNVCBOLYSA-N	1	1	359.901	2.080	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(C)s2)C1	ZINC001000408830	680430258	/nfs/dbraw/zinc/43/02/58/680430258.db2.gz	FVBNTMZYCZNNSW-VYDXJSESSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCOCC1	ZINC001038807960	680461691	/nfs/dbraw/zinc/46/16/91/680461691.db2.gz	NRWKUYSESLAABW-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CCOC)C2)CC1	ZINC001039160087	680462705	/nfs/dbraw/zinc/46/27/05/680462705.db2.gz	HAYRGCJHXKRHHL-QYZOEREBSA-N	1	1	350.503	2.175	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(Br)cc1OC	ZINC000836410059	680465398	/nfs/dbraw/zinc/46/53/98/680465398.db2.gz	LQOHTQLBPPNWGK-UHFFFAOYSA-N	1	1	368.275	2.212	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1	ZINC000758302738	680568848	/nfs/dbraw/zinc/56/88/48/680568848.db2.gz	PLXYNEJERKXXRY-HZPDHXFCSA-N	1	1	355.479	2.053	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1Nc1ncc(C#N)cc1Cl	ZINC001043250564	680569534	/nfs/dbraw/zinc/56/95/34/680569534.db2.gz	FAAQXTLIQGEWPP-DVOMOZLQSA-N	1	1	361.877	2.207	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3nc(C#N)c(Cl)s3)C2)C1	ZINC001043517058	680585478	/nfs/dbraw/zinc/58/54/78/680585478.db2.gz	JRVRLTAJQPDVNH-NQBHXWOUSA-N	1	1	367.906	2.269	20	30		FEEDMO
C=C(Br)CN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC001007368815	680637396	/nfs/dbraw/zinc/63/73/96/680637396.db2.gz	KZBORWFDAOQBOU-SOUVJXGZSA-N	1	1	358.324	2.206	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1	ZINC001046029842	680642650	/nfs/dbraw/zinc/64/26/50/680642650.db2.gz	CSZQDHZCCFTYAZ-SQNIBIBYSA-N	1	1	369.937	2.019	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)CC2)C1	ZINC001046029842	680642652	/nfs/dbraw/zinc/64/26/52/680642652.db2.gz	CSZQDHZCCFTYAZ-SQNIBIBYSA-N	1	1	369.937	2.019	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1	ZINC000768074238	680937149	/nfs/dbraw/zinc/93/71/49/680937149.db2.gz	INFHRMSGJPHFKW-INIZCTEOSA-N	1	1	355.265	2.412	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)Cc1ccc(Cl)c(Cl)c1	ZINC000768074238	680937151	/nfs/dbraw/zinc/93/71/51/680937151.db2.gz	INFHRMSGJPHFKW-INIZCTEOSA-N	1	1	355.265	2.412	20	30		FEEDMO
C=CCn1c(=O)c2ccc(-c3nc(C[C@@H](C)[NH2+]C)no3)cc2[nH]c1=S	ZINC000842623772	680955537	/nfs/dbraw/zinc/95/55/37/680955537.db2.gz	AVUUPRHEFLTVBK-SNVBAGLBSA-N	1	1	357.439	2.072	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1snnc1C	ZINC001049732226	681037627	/nfs/dbraw/zinc/03/76/27/681037627.db2.gz	LOKOVLHSQLYGLV-UGUYLWEFSA-N	1	1	362.499	2.003	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1snnc1C	ZINC001049732226	681037628	/nfs/dbraw/zinc/03/76/28/681037628.db2.gz	LOKOVLHSQLYGLV-UGUYLWEFSA-N	1	1	362.499	2.003	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000844372654	681054489	/nfs/dbraw/zinc/05/44/89/681054489.db2.gz	BIOIBQKCKLLDDQ-UGSOOPFHSA-N	1	1	365.861	2.024	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000844372654	681054493	/nfs/dbraw/zinc/05/44/93/681054493.db2.gz	BIOIBQKCKLLDDQ-UGSOOPFHSA-N	1	1	365.861	2.024	20	30		FEEDMO
C=C[C@H](C)ONC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000845626413	681142025	/nfs/dbraw/zinc/14/20/25/681142025.db2.gz	GRIJMIXTAJYWOL-SZMVWBNQSA-N	1	1	352.523	2.471	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3ncc(C#N)cc3Cl)C2)CC[N@H+]1C	ZINC001058258080	681169743	/nfs/dbraw/zinc/16/97/43/681169743.db2.gz	MEYUIBHXNGQBFB-BPLDGKMQSA-N	1	1	361.877	2.032	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@H+]1C	ZINC001059859279	681187290	/nfs/dbraw/zinc/18/72/90/681187290.db2.gz	XLZQWNBIYQKDPM-KNCOVGOOSA-N	1	1	361.877	2.396	20	30		FEEDMO
Cc1nsc(N2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1C#N	ZINC001060184926	681197480	/nfs/dbraw/zinc/19/74/80/681197480.db2.gz	ORRLQYGQOPRDBG-RBSFLKMASA-N	1	1	361.515	2.139	20	30		FEEDMO
CCOC(=O)[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000932650199	681276773	/nfs/dbraw/zinc/27/67/73/681276773.db2.gz	UDHBBFAEFZXASE-AWEZNQCLSA-N	1	1	363.845	2.472	20	30		FEEDMO
CCOC(=O)[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000932650199	681276777	/nfs/dbraw/zinc/27/67/77/681276777.db2.gz	UDHBBFAEFZXASE-AWEZNQCLSA-N	1	1	363.845	2.472	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](c2ncc(C(=O)OC)s2)C1	ZINC000932659473	681279483	/nfs/dbraw/zinc/27/94/83/681279483.db2.gz	QACKZJJDGUPIRH-CYBMUJFWSA-N	1	1	351.472	2.144	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](c2ncc(C(=O)OC)s2)C1	ZINC000932659473	681279487	/nfs/dbraw/zinc/27/94/87/681279487.db2.gz	QACKZJJDGUPIRH-CYBMUJFWSA-N	1	1	351.472	2.144	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)NCCNc1ccc(C)c[nH+]1	ZINC000932801495	681313049	/nfs/dbraw/zinc/31/30/49/681313049.db2.gz	PKJRFSJMHYUTSW-UHFFFAOYSA-N	1	1	358.467	2.194	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1nc2ccc(OCC)cc2s1)[C@@H]1CCCO1	ZINC000775788614	681335105	/nfs/dbraw/zinc/33/51/05/681335105.db2.gz	ICUSUERULZEWLG-HIFRSBDPSA-N	1	1	359.451	2.404	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@H]1CCCO1	ZINC000775799550	681336131	/nfs/dbraw/zinc/33/61/31/681336131.db2.gz	NRLNYCCAIBBTDU-TZMCWYRMSA-N	1	1	355.207	2.297	20	30		FEEDMO
Fc1ccc2c(c1)C(=NNC(=S)NCCC[NH+]1CCOCC1)CCC2	ZINC000776178714	681369836	/nfs/dbraw/zinc/36/98/36/681369836.db2.gz	CKLLACMZBHNDBR-UHFFFAOYSA-N	1	1	364.490	2.053	20	30		FEEDMO
C#Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C)CC(=O)OC)CC2)c(Cl)c1	ZINC000933366388	681400082	/nfs/dbraw/zinc/40/00/82/681400082.db2.gz	FPLIVYCXBBMVPW-ZDUSSCGKSA-N	1	1	363.845	2.422	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933712632	681456178	/nfs/dbraw/zinc/45/61/78/681456178.db2.gz	UABWWZLKNOWBHF-NWDGAFQWSA-N	1	1	355.364	2.045	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933712632	681456181	/nfs/dbraw/zinc/45/61/81/681456181.db2.gz	UABWWZLKNOWBHF-NWDGAFQWSA-N	1	1	355.364	2.045	20	30		FEEDMO
CC(N=Nc1cc(Cl)nc(N)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000778544525	681622592	/nfs/dbraw/zinc/62/25/92/681622592.db2.gz	FOPGXDKCRFOBNH-AWEZNQCLSA-N	1	1	360.849	2.401	20	30		FEEDMO
CC(N=Nc1cc(Cl)nc(N)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000778544525	681622600	/nfs/dbraw/zinc/62/26/00/681622600.db2.gz	FOPGXDKCRFOBNH-AWEZNQCLSA-N	1	1	360.849	2.401	20	30		FEEDMO
C=CC1(CC(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)CN(C(=O)OC(C)(C)C)C1	ZINC000935190305	681707372	/nfs/dbraw/zinc/70/73/72/681707372.db2.gz	PWWZFKPULRSYLB-GJZGRUSLSA-N	1	1	351.491	2.351	20	30		FEEDMO
FC(F)(F)CC[NH+]1CCC(=NNC(=S)NCCc2ccccn2)CC1	ZINC000779772317	681752176	/nfs/dbraw/zinc/75/21/76/681752176.db2.gz	GENLSRWIZFJCHO-UHFFFAOYSA-N	1	1	373.448	2.492	20	30		FEEDMO
C=CCOc1c(Br)cc(C=NNC2=[NH+]C[C@H](C)N2)cc1OC	ZINC000779793879	681753834	/nfs/dbraw/zinc/75/38/34/681753834.db2.gz	YFAJCYAWOGNWIE-JTQLQIEISA-N	1	1	367.247	2.294	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2snnc2C)CC1(C)C	ZINC000941040247	682096832	/nfs/dbraw/zinc/09/68/32/682096832.db2.gz	YMLGTWOQUGFZQW-YCPHGPKFSA-N	1	1	364.515	2.154	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2snnc2C)CC1(C)C	ZINC000941040247	682096835	/nfs/dbraw/zinc/09/68/35/682096835.db2.gz	YMLGTWOQUGFZQW-YCPHGPKFSA-N	1	1	364.515	2.154	20	30		FEEDMO
C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@H]21	ZINC000961795100	682099351	/nfs/dbraw/zinc/09/93/51/682099351.db2.gz	GDWDXXQSZNBDFL-UVMNYOIOSA-N	1	1	358.869	2.163	20	30		FEEDMO
C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)C[C@H]21	ZINC000961795100	682099358	/nfs/dbraw/zinc/09/93/58/682099358.db2.gz	GDWDXXQSZNBDFL-UVMNYOIOSA-N	1	1	358.869	2.163	20	30		FEEDMO
C#CCOCC[N@H+](CCn1ccnc1)Cc1ccc(Br)o1	ZINC000852038327	682207784	/nfs/dbraw/zinc/20/77/84/682207784.db2.gz	BLXBZQCPIKZMMZ-UHFFFAOYSA-N	1	1	352.232	2.391	20	30		FEEDMO
C#CCOCC[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1	ZINC000852038327	682207787	/nfs/dbraw/zinc/20/77/87/682207787.db2.gz	BLXBZQCPIKZMMZ-UHFFFAOYSA-N	1	1	352.232	2.391	20	30		FEEDMO
C#C[C@@H](NC(=O)N1CC[NH+](CCc2cccs2)CC1)C1CCOCC1	ZINC000852646958	682312643	/nfs/dbraw/zinc/31/26/43/682312643.db2.gz	MJYORGWDABPOHN-GOSISDBHSA-N	1	1	361.511	2.046	20	30		FEEDMO
C#CCC[N@@H+](CCOC)CC(=O)Nc1cc(OC)c(Cl)cc1OC	ZINC000852752066	682335433	/nfs/dbraw/zinc/33/54/33/682335433.db2.gz	ODLLSCPZFINUJG-UHFFFAOYSA-N	1	1	354.834	2.267	20	30		FEEDMO
C#CCC[N@H+](CCOC)CC(=O)Nc1cc(OC)c(Cl)cc1OC	ZINC000852752066	682335436	/nfs/dbraw/zinc/33/54/36/682335436.db2.gz	ODLLSCPZFINUJG-UHFFFAOYSA-N	1	1	354.834	2.267	20	30		FEEDMO
CC(C)(C#N)CS(=O)(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1	ZINC000919261699	685545752	/nfs/dbraw/zinc/54/57/52/685545752.db2.gz	GBZJMNMJMMQXGU-PKOBYXMFSA-N	1	1	361.511	2.320	20	30		FEEDMO
CC(C)[C@H](CNc1cc(Br)cnc1C#N)N1CC[NH+](C)CC1	ZINC000853134277	682381083	/nfs/dbraw/zinc/38/10/83/682381083.db2.gz	PGUSVWNFGOWHGL-INIZCTEOSA-N	1	1	366.307	2.400	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]21	ZINC000972339385	682407535	/nfs/dbraw/zinc/40/75/35/682407535.db2.gz	DQIKDBJQUVHJGL-BZUAXINKSA-N	1	1	367.921	2.309	20	30		FEEDMO
CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C)C1	ZINC000855360509	682661455	/nfs/dbraw/zinc/66/14/55/682661455.db2.gz	GMVAFXFOPCDWAI-HUUCEWRRSA-N	1	1	352.479	2.126	20	30		FEEDMO
C#C[C@H](NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)C1CCOCC1	ZINC000856114132	682743092	/nfs/dbraw/zinc/74/30/92/682743092.db2.gz	WXOQXDSECFXIJU-SFHVURJKSA-N	1	1	361.511	2.208	20	30		FEEDMO
Cc1c[nH+]cn1CC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000859950652	683176463	/nfs/dbraw/zinc/17/64/63/683176463.db2.gz	FWSZFRMQRFTDHN-LLVKDONJSA-N	1	1	358.423	2.184	20	30		FEEDMO
C=CC[N@@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000798184110	683319058	/nfs/dbraw/zinc/31/90/58/683319058.db2.gz	RSTKXFYEFSEVTP-HZPDHXFCSA-N	1	1	374.547	2.458	20	30		FEEDMO
C=CC[N@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000798184110	683319065	/nfs/dbraw/zinc/31/90/65/683319065.db2.gz	RSTKXFYEFSEVTP-HZPDHXFCSA-N	1	1	374.547	2.458	20	30		FEEDMO
N#CCn1c(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc2ccccc21	ZINC000928100841	683391647	/nfs/dbraw/zinc/39/16/47/683391647.db2.gz	UUHPSMHIBRUJRF-QAPCUYQASA-N	1	1	354.479	2.474	20	30		FEEDMO
Brc1cccc2c1OCCC2=NNCCC[NH+]1CCOCC1	ZINC000799488135	683459534	/nfs/dbraw/zinc/45/95/34/683459534.db2.gz	BUWOXFZPFSZGOG-UHFFFAOYSA-N	1	1	368.275	2.248	20	30		FEEDMO
C#CC[NH+]1CCC(NS(=O)(=O)c2cc(C)ccc2Br)CC1	ZINC000921437712	683467668	/nfs/dbraw/zinc/46/76/68/683467668.db2.gz	FIJRSUVUKDZEOU-UHFFFAOYSA-N	1	1	371.300	2.133	20	30		FEEDMO
N#Cc1ccc(Br)c(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1	ZINC000921691517	683544564	/nfs/dbraw/zinc/54/45/64/683544564.db2.gz	YWVMXUJXSZRPKP-LSDHHAIUSA-N	1	1	350.260	2.274	20	30		FEEDMO
N#CC1CCC(C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1	ZINC000929153694	683553128	/nfs/dbraw/zinc/55/31/28/683553128.db2.gz	MMJVVBROERFGAB-UHFFFAOYSA-N	1	1	361.511	2.464	20	30		FEEDMO
Cc1nc(S(=O)(=O)N2CC[NH+](CC3CCC(C#N)CC3)CC2)cs1	ZINC000929964483	683661986	/nfs/dbraw/zinc/66/19/86/683661986.db2.gz	VCLSLEXWGMKVHF-UHFFFAOYSA-N	1	1	368.528	2.088	20	30		FEEDMO
N#Cc1ccc(Br)c(CNC[C@H]2CCC[N@@H+]2CCCO)c1	ZINC000922153045	683670834	/nfs/dbraw/zinc/67/08/34/683670834.db2.gz	AAAKHCYCOWSUNA-OAHLLOKOSA-N	1	1	352.276	2.257	20	30		FEEDMO
N#Cc1ccc(Br)c(C[NH2+]C[C@H]2CCCN2CCCO)c1	ZINC000922153045	683670838	/nfs/dbraw/zinc/67/08/38/683670838.db2.gz	AAAKHCYCOWSUNA-OAHLLOKOSA-N	1	1	352.276	2.257	20	30		FEEDMO
N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12	ZINC000930385490	683723157	/nfs/dbraw/zinc/72/31/57/683723157.db2.gz	CJKGSTMNKGUIPI-DZGCQCFKSA-N	1	1	364.446	2.429	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1)S(C)(=O)=O	ZINC000930440552	683733293	/nfs/dbraw/zinc/73/32/93/683733293.db2.gz	FLYUXOQTFYCARB-ZDUSSCGKSA-N	1	1	355.891	2.315	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1)S(C)(=O)=O	ZINC000930440552	683733300	/nfs/dbraw/zinc/73/33/00/683733300.db2.gz	FLYUXOQTFYCARB-ZDUSSCGKSA-N	1	1	355.891	2.315	20	30		FEEDMO
C[C@@H](CC#N)[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000930866101	683794919	/nfs/dbraw/zinc/79/49/19/683794919.db2.gz	BCNVSEMULMSDSY-NHYWBVRUSA-N	1	1	355.360	2.059	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1	ZINC000931143729	683841050	/nfs/dbraw/zinc/84/10/50/683841050.db2.gz	LGECTKJPBXHBOS-HNNXBMFYSA-N	1	1	352.356	2.271	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1	ZINC000931144943	683841188	/nfs/dbraw/zinc/84/11/88/683841188.db2.gz	KLKLYOAKHLSPRS-LBPRGKRZSA-N	1	1	351.244	2.236	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC[C@H](C)C1	ZINC000866271222	684087149	/nfs/dbraw/zinc/08/71/49/684087149.db2.gz	GFNYSQVIHAGTIT-GXTWGEPZSA-N	1	1	359.898	2.480	20	30		FEEDMO
N#CCc1ccsc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000867314026	684245428	/nfs/dbraw/zinc/24/54/28/684245428.db2.gz	KHLORGSCIQQJDC-KRWDZBQOSA-N	1	1	355.463	2.311	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1	ZINC000923549512	684303767	/nfs/dbraw/zinc/30/37/67/684303767.db2.gz	KHXBUOMBOZNTNV-LLVKDONJSA-N	1	1	366.215	2.185	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1	ZINC000923549512	684303772	/nfs/dbraw/zinc/30/37/72/684303772.db2.gz	KHXBUOMBOZNTNV-LLVKDONJSA-N	1	1	366.215	2.185	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1C(=O)NCC1(C)C	ZINC000931658032	684322049	/nfs/dbraw/zinc/32/20/49/684322049.db2.gz	IVGGJMGMTUVEFL-MLGOLLRUSA-N	1	1	360.483	2.134	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CC[C@@H](C2OCCO2)C1	ZINC000932001232	684386140	/nfs/dbraw/zinc/38/61/40/684386140.db2.gz	AGAQLNFLTYYQLG-NWDGAFQWSA-N	1	1	361.467	2.130	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CC[C@@H](C2OCCO2)C1	ZINC000932001232	684386147	/nfs/dbraw/zinc/38/61/47/684386147.db2.gz	AGAQLNFLTYYQLG-NWDGAFQWSA-N	1	1	361.467	2.130	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000872664419	685000809	/nfs/dbraw/zinc/00/08/09/685000809.db2.gz	ROUCPEAGACJGDU-HUUCEWRRSA-N	1	1	373.400	2.434	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC	ZINC000876784807	686268434	/nfs/dbraw/zinc/26/84/34/686268434.db2.gz	KKZZTQAVEFWFJN-OAHLLOKOSA-N	1	1	366.893	2.246	20	30		FEEDMO
C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1	ZINC000878136486	686528171	/nfs/dbraw/zinc/52/81/71/686528171.db2.gz	AEXSYLQJBWWZGM-STQMWFEESA-N	1	1	350.381	2.227	20	30		FEEDMO
CC(C)(O)C[C@@H](O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000878536465	686604065	/nfs/dbraw/zinc/60/40/65/686604065.db2.gz	XPPZQPYYOLKXKV-IAGOWNOFSA-N	1	1	351.878	2.044	20	30		FEEDMO
N#Cc1sccc1N1CC[NH+](C[C@@H](O)C[C@H](O)c2ccccc2)CC1	ZINC000878888597	686683674	/nfs/dbraw/zinc/68/36/74/686683674.db2.gz	QDQGXQSOSSCOPM-WMZOPIPTSA-N	1	1	357.479	2.226	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1	ZINC000880045425	686983703	/nfs/dbraw/zinc/98/37/03/686983703.db2.gz	XEXPMVJCRVXCOR-GDBMZVCRSA-N	1	1	358.360	2.146	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1	ZINC000880045425	686983705	/nfs/dbraw/zinc/98/37/05/686983705.db2.gz	XEXPMVJCRVXCOR-GDBMZVCRSA-N	1	1	358.360	2.146	20	30		FEEDMO
CO[C@H]1COCC[C@H]1[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000880423060	687046226	/nfs/dbraw/zinc/04/62/26/687046226.db2.gz	BJJBUNGNWNZXPB-SJORKVTESA-N	1	1	365.861	2.322	20	30		FEEDMO
CO[C@H]1COCC[C@H]1[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000880423060	687046229	/nfs/dbraw/zinc/04/62/29/687046229.db2.gz	BJJBUNGNWNZXPB-SJORKVTESA-N	1	1	365.861	2.322	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)Nc2ccc(Br)c(C#N)n2)CC[N@H+]1C	ZINC000883092291	687562094	/nfs/dbraw/zinc/56/20/94/687562094.db2.gz	LDQQLSXLZLHLMR-VHSXEESVSA-N	1	1	352.236	2.320	20	30		FEEDMO
C#CC[N@@H+](CC(=O)NC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427324	688254152	/nfs/dbraw/zinc/25/41/52/688254152.db2.gz	HGSKBWJBSHPNOP-UHFFFAOYSA-N	1	1	351.491	2.236	20	30		FEEDMO
C#CC[N@H+](CC(=O)NC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427324	688254155	/nfs/dbraw/zinc/25/41/55/688254155.db2.gz	HGSKBWJBSHPNOP-UHFFFAOYSA-N	1	1	351.491	2.236	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2nc(C)cs2)C1	ZINC000886696347	688291782	/nfs/dbraw/zinc/29/17/82/688291782.db2.gz	MPMPDOKHZBLOIK-KBPBESRZSA-N	1	1	350.488	2.106	20	30		FEEDMO
C=CCC1(O)CC[NH+](CC(=O)NCCOc2ccc(Cl)cc2)CC1	ZINC000886757563	688302577	/nfs/dbraw/zinc/30/25/77/688302577.db2.gz	KWAFJRQSDQIZLY-UHFFFAOYSA-N	1	1	352.862	2.238	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888420866	688609385	/nfs/dbraw/zinc/60/93/85/688609385.db2.gz	PTCJOXKYIVFUFC-JTQLQIEISA-N	1	1	369.878	2.385	20	30		FEEDMO
C[C@H](CNC(=O)NCc1nc(C#N)cs1)[N@H+]1CCc2ccccc2C1	ZINC000892018996	689141586	/nfs/dbraw/zinc/14/15/86/689141586.db2.gz	HVEDAYDWFVMBNC-CYBMUJFWSA-N	1	1	355.467	2.261	20	30		FEEDMO
C#C[C@H](NC(=O)N1CCN(C)CC[N@H+](C)CC1)c1ccc(Cl)cc1F	ZINC000895693420	689756101	/nfs/dbraw/zinc/75/61/01/689756101.db2.gz	ZISSLTBPSSZUPX-KRWDZBQOSA-N	1	1	366.868	2.042	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=S)N1CCO[C@H](c2ccc(C#N)cc2)C1	ZINC000899634922	690394253	/nfs/dbraw/zinc/39/42/53/690394253.db2.gz	CHYUERGXCCLEOO-ROUUACIJSA-N	1	1	358.511	2.290	20	30		FEEDMO
N#Cc1ccc(NC(=S)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1Cl	ZINC000899663761	690401467	/nfs/dbraw/zinc/40/14/67/690401467.db2.gz	GCOSOXJMTVHSSY-HOTGVXAUSA-N	1	1	364.902	2.439	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2nc(C(F)(F)F)n3ccccc23)CC1	ZINC000900474962	690521661	/nfs/dbraw/zinc/52/16/61/690521661.db2.gz	WIFBSMAQEVEHFY-UHFFFAOYSA-N	1	1	350.344	2.134	20	30		FEEDMO
N#C[C@@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1cccc(C(F)(F)F)c1	ZINC000900642028	690542377	/nfs/dbraw/zinc/54/23/77/690542377.db2.gz	CWXKURUAFMZCJW-HUUCEWRRSA-N	1	1	353.344	2.107	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCC[C@@](O)(C[NH2+]Cc2nc(C#N)cs2)CC1	ZINC000905654904	691156889	/nfs/dbraw/zinc/15/68/89/691156889.db2.gz	IPJCUQNNAWPBPP-KRWDZBQOSA-N	1	1	366.487	2.256	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)C[C@]2(C)C1	ZINC000907554586	691518532	/nfs/dbraw/zinc/51/85/32/691518532.db2.gz	NVFQFPYRGSFNDQ-DOMZBBRYSA-N	1	1	373.400	2.149	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(Cn2cc(Cl)cn2)s1	ZINC000908437974	691678936	/nfs/dbraw/zinc/67/89/36/691678936.db2.gz	WCSCKIAPVDWTBL-UHFFFAOYSA-N	1	1	350.875	2.331	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@H]21	ZINC001164673088	719448994	/nfs/dbraw/zinc/44/89/94/719448994.db2.gz	SJZWFFUAVVMNCP-UXHICEINSA-N	1	1	364.449	2.246	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C#N)ccc1[N+](=O)[O-])C2	ZINC001164813783	720113670	/nfs/dbraw/zinc/11/36/70/720113670.db2.gz	QNERGRFHZBKGRW-HNAYVOBHSA-N	1	1	371.441	2.046	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C#N)ccc1[N+](=O)[O-])C2	ZINC001164813784	720113804	/nfs/dbraw/zinc/11/38/04/720113804.db2.gz	QNERGRFHZBKGRW-KXBFYZLASA-N	1	1	371.441	2.046	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(OC)cc(C#N)n1)C2	ZINC001164816176	720123146	/nfs/dbraw/zinc/12/31/46/720123146.db2.gz	YBNZLRZNIBERBV-UZLBHIALSA-N	1	1	356.470	2.147	20	30		FEEDMO
N#Cc1nc(Cl)c(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1C#N	ZINC001164722995	720385005	/nfs/dbraw/zinc/38/50/05/720385005.db2.gz	FHQQZJLGDVOZFK-JKSUJKDBSA-N	1	1	365.828	2.122	20	30		FEEDMO
N#Cc1nc(Cl)c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1C#N	ZINC001164722995	720385007	/nfs/dbraw/zinc/38/50/07/720385007.db2.gz	FHQQZJLGDVOZFK-JKSUJKDBSA-N	1	1	365.828	2.122	20	30		FEEDMO
C=CCNC(=O)c1cccnc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164732061	720435691	/nfs/dbraw/zinc/43/56/91/720435691.db2.gz	MWZSBYKIXZFSPI-RTBURBONSA-N	1	1	363.465	2.246	20	30		FEEDMO
Cc1nc(C#N)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164839295	720585460	/nfs/dbraw/zinc/58/54/60/720585460.db2.gz	NDSMYJHYIGIUAS-NZSAHSFTSA-N	1	1	365.485	2.231	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)ncc4C#N)C[C@@H]3C2)cn1	ZINC001164771596	721082845	/nfs/dbraw/zinc/08/28/45/721082845.db2.gz	SDUVWHIHUVYMOZ-ZBFHGGJFSA-N	1	1	356.861	2.298	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)ncc4C#N)C[C@H]3C2)cn1	ZINC001164771593	721083255	/nfs/dbraw/zinc/08/32/55/721083255.db2.gz	SDUVWHIHUVYMOZ-GDBMZVCRSA-N	1	1	356.861	2.298	20	30		FEEDMO
C=CCNC(=O)c1cccnc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1	ZINC001164782711	721425811	/nfs/dbraw/zinc/42/58/11/721425811.db2.gz	HKXCYHZXVYTBLN-GJZGRUSLSA-N	1	1	369.494	2.022	20	30		FEEDMO
C=CCNC(=O)c1cccnc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1	ZINC001164782712	721425920	/nfs/dbraw/zinc/42/59/20/721425920.db2.gz	HKXCYHZXVYTBLN-HUUCEWRRSA-N	1	1	369.494	2.022	20	30		FEEDMO
N#Cc1cc2c(nc1N1C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C1)CCOC2	ZINC001164780802	721433278	/nfs/dbraw/zinc/43/32/78/721433278.db2.gz	AHAFNTWNAJEHAZ-IYBDPMFKSA-N	1	1	367.478	2.051	20	30		FEEDMO
N#Cc1cc2c(nc1N1C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C1)CCOC2	ZINC001164780802	721433280	/nfs/dbraw/zinc/43/32/80/721433280.db2.gz	AHAFNTWNAJEHAZ-IYBDPMFKSA-N	1	1	367.478	2.051	20	30		FEEDMO
N#CCc1cncc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164903031	721549161	/nfs/dbraw/zinc/54/91/61/721549161.db2.gz	BVLPVOLUVBLLDF-AEFFLSMTSA-N	1	1	353.401	2.024	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2F)[C@H]2CCCO[C@@H]12	ZINC001164809366	721568428	/nfs/dbraw/zinc/56/84/28/721568428.db2.gz	WPBDEDVNHIFLHV-IPMKNSEASA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2F)[C@H]2CCCO[C@@H]12	ZINC001164809366	721568431	/nfs/dbraw/zinc/56/84/31/721568431.db2.gz	WPBDEDVNHIFLHV-IPMKNSEASA-N	1	1	367.428	2.356	20	30		FEEDMO
C=CC[NH+]1CCN(c2ccc(-c3ccc(N4CCOCC4)cc3)nn2)CC1	ZINC001165034235	721872601	/nfs/dbraw/zinc/87/26/01/721872601.db2.gz	HSTHPGGMRDNQTR-UHFFFAOYSA-N	1	1	365.481	2.288	20	30		FEEDMO
Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1C#N	ZINC001164981569	722111212	/nfs/dbraw/zinc/11/12/12/722111212.db2.gz	UNSHLMWLUDIQAT-QUCCMNQESA-N	1	1	363.465	2.384	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C1CC1	ZINC000012328206	539555206	/nfs/dbraw/zinc/55/52/06/539555206.db2.gz	JYNREGTWCSNMCG-YWZLYKJASA-N	1	1	354.454	2.146	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C1CC1	ZINC000012328206	539555213	/nfs/dbraw/zinc/55/52/13/539555213.db2.gz	JYNREGTWCSNMCG-YWZLYKJASA-N	1	1	354.454	2.146	20	30		FEEDMO
C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc2cc(C#N)ccc2n1	ZINC000528134824	539733327	/nfs/dbraw/zinc/73/33/27/539733327.db2.gz	ZVCGJBFPOXXNES-HXUWFJFHSA-N	1	1	352.438	2.134	20	30		FEEDMO
C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc2cc(C#N)ccc2n1	ZINC000528134824	539733329	/nfs/dbraw/zinc/73/33/29/539733329.db2.gz	ZVCGJBFPOXXNES-HXUWFJFHSA-N	1	1	352.438	2.134	20	30		FEEDMO
C[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)Cc1cccc(C#N)c1	ZINC000026328056	539783696	/nfs/dbraw/zinc/78/36/96/539783696.db2.gz	YJFKFRNYAWCTIB-UHFFFAOYSA-N	1	1	366.377	2.067	20	30		FEEDMO
C[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)Cc1cccc(C#N)c1	ZINC000026328056	539783701	/nfs/dbraw/zinc/78/37/01/539783701.db2.gz	YJFKFRNYAWCTIB-UHFFFAOYSA-N	1	1	366.377	2.067	20	30		FEEDMO
COC(=O)c1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000027207695	539802023	/nfs/dbraw/zinc/80/20/23/539802023.db2.gz	CONIROKCKMEBGE-IBGZPJMESA-N	1	1	368.433	2.411	20	30		FEEDMO
C=CCNC(=O)[C@H](C)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1	ZINC000027542554	539809614	/nfs/dbraw/zinc/80/96/14/539809614.db2.gz	NOELUEKPRKVEAG-HNNXBMFYSA-N	1	1	351.878	2.027	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000028322772	539830225	/nfs/dbraw/zinc/83/02/25/539830225.db2.gz	OLFUJKQEXWYWGT-OAHLLOKOSA-N	1	1	355.463	2.283	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1	ZINC000028322772	539830228	/nfs/dbraw/zinc/83/02/28/539830228.db2.gz	OLFUJKQEXWYWGT-OAHLLOKOSA-N	1	1	355.463	2.283	20	30		FEEDMO
N#CC1(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CCCC1	ZINC000029160325	539844761	/nfs/dbraw/zinc/84/47/61/539844761.db2.gz	FRVREKKOIPVNLJ-UHFFFAOYSA-N	1	1	354.498	2.394	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cccc(OCC#N)c1	ZINC000041787275	540033075	/nfs/dbraw/zinc/03/30/75/540033075.db2.gz	PPDRIAQPWRDGLC-MRXNPFEDSA-N	1	1	372.469	2.298	20	30		FEEDMO
CN(C(=O)C[N@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1)C1CCCCC1	ZINC000048045643	540341616	/nfs/dbraw/zinc/34/16/16/540341616.db2.gz	JJCNGZSRLSUTRO-LJQANCHMSA-N	1	1	373.497	2.215	20	30		FEEDMO
CN(C(=O)C[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1)C1CCCCC1	ZINC000048045643	540341619	/nfs/dbraw/zinc/34/16/19/540341619.db2.gz	JJCNGZSRLSUTRO-LJQANCHMSA-N	1	1	373.497	2.215	20	30		FEEDMO
Cc1cc(=NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)[nH]n1CCC#N	ZINC000534326040	540354438	/nfs/dbraw/zinc/35/44/38/540354438.db2.gz	BOFJGHCOTYKIJS-QGZVFWFLSA-N	1	1	352.442	2.351	20	30		FEEDMO
Cc1cc(=NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)[nH]n1CCC#N	ZINC000534326040	540354442	/nfs/dbraw/zinc/35/44/42/540354442.db2.gz	BOFJGHCOTYKIJS-QGZVFWFLSA-N	1	1	352.442	2.351	20	30		FEEDMO
N#CCCCOc1cccc(NC(=O)C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1	ZINC000050203202	540403116	/nfs/dbraw/zinc/40/31/16/540403116.db2.gz	RPMWZKWJVSGTNQ-QGZVFWFLSA-N	1	1	370.453	2.004	20	30		FEEDMO
CCN(CC)C(=O)CN1CCC[N@@H+](CCCOc2ccc(C#N)cc2)CC1	ZINC000051708309	540441195	/nfs/dbraw/zinc/44/11/95/540441195.db2.gz	RKSIVYROIWISNG-UHFFFAOYSA-N	1	1	372.513	2.203	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000052931122	540500748	/nfs/dbraw/zinc/50/07/48/540500748.db2.gz	OYLJTRNDDRAYIF-KRWDZBQOSA-N	1	1	354.454	2.125	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000053095901	540511171	/nfs/dbraw/zinc/51/11/71/540511171.db2.gz	JVEFQQMDFBAYKQ-QGZVFWFLSA-N	1	1	368.437	2.251	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000053095901	540511173	/nfs/dbraw/zinc/51/11/73/540511173.db2.gz	JVEFQQMDFBAYKQ-QGZVFWFLSA-N	1	1	368.437	2.251	20	30		FEEDMO
COc1cc2c(cc1OC)CN(C(=O)CO[NH+]=C(N)C1CCCC1)CC2	ZINC000054211290	540575489	/nfs/dbraw/zinc/57/54/89/540575489.db2.gz	AVHZRJWTXKZUSD-UHFFFAOYSA-N	1	1	361.442	2.068	20	30		FEEDMO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCCO1	ZINC000076299078	542257175	/nfs/dbraw/zinc/25/71/75/542257175.db2.gz	YHTNNYMCQDUVII-INIZCTEOSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCCO1	ZINC000076299078	542257180	/nfs/dbraw/zinc/25/71/80/542257180.db2.gz	YHTNNYMCQDUVII-INIZCTEOSA-N	1	1	354.372	2.284	20	30		FEEDMO
COC(=O)c1ccnc(N2CCC[N@@H+](Cc3cccc(C#N)c3)CC2)c1	ZINC000055058325	540625294	/nfs/dbraw/zinc/62/52/94/540625294.db2.gz	HLIQEYKZIMIVLZ-UHFFFAOYSA-N	1	1	350.422	2.452	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000057552240	540802524	/nfs/dbraw/zinc/80/25/24/540802524.db2.gz	HEVLEGGMJBDTBQ-MTNOOBJLSA-N	1	1	371.481	2.426	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2ccc(C#N)cn2)CC1	ZINC000060481547	541114084	/nfs/dbraw/zinc/11/40/84/541114084.db2.gz	DJKSWLZELIEGRF-UHFFFAOYSA-N	1	1	366.450	2.037	20	30		FEEDMO
CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000063727524	541182189	/nfs/dbraw/zinc/18/21/89/541182189.db2.gz	KIBMOOKZADVTHD-UHFFFAOYSA-N	1	1	362.861	2.483	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1	ZINC000065638458	541250487	/nfs/dbraw/zinc/25/04/87/541250487.db2.gz	ZWTCNHZXWGVHMI-INIZCTEOSA-N	1	1	372.469	2.130	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000066619805	541347652	/nfs/dbraw/zinc/34/76/52/541347652.db2.gz	WAGJQHGRNDWREN-SFHVURJKSA-N	1	1	356.470	2.314	20	30		FEEDMO
C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(F)c(C#N)c2)C1	ZINC000067244584	541435843	/nfs/dbraw/zinc/43/58/43/541435843.db2.gz	XHBKYRXUYIZAJQ-OAHLLOKOSA-N	1	1	359.426	2.379	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000067414216	541460144	/nfs/dbraw/zinc/46/01/44/541460144.db2.gz	UHUATPQTAPPJRW-SJLPKXTDSA-N	1	1	356.470	2.170	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)NCCCn2cc[nH+]c2C)c1	ZINC000067529826	541475422	/nfs/dbraw/zinc/47/54/22/541475422.db2.gz	GWZXSMJTOJZEIY-UHFFFAOYSA-N	1	1	356.426	2.291	20	30		FEEDMO
CC(C)[C@@H](C(=O)NCc1ccc(OCC#N)cc1)[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000067925902	541528936	/nfs/dbraw/zinc/52/89/36/541528936.db2.gz	OEUFNTIFXPRNES-BXWFABGCSA-N	1	1	359.470	2.339	20	30		FEEDMO
COC(=O)CCCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000069246086	541670235	/nfs/dbraw/zinc/67/02/35/541670235.db2.gz	DWSMNTLIVBSGEU-UHFFFAOYSA-N	1	1	372.469	2.119	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000071008679	541757432	/nfs/dbraw/zinc/75/74/32/541757432.db2.gz	QPCFWOBAXYWVDQ-INIZCTEOSA-N	1	1	372.469	2.298	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000070976304	541755722	/nfs/dbraw/zinc/75/57/22/541755722.db2.gz	KOACMPKWKZSGME-FXAWDEMLSA-N	1	1	359.470	2.428	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1	ZINC000070976304	541755723	/nfs/dbraw/zinc/75/57/23/541755723.db2.gz	KOACMPKWKZSGME-FXAWDEMLSA-N	1	1	359.470	2.428	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1	ZINC000072581570	541834918	/nfs/dbraw/zinc/83/49/18/541834918.db2.gz	RRMZZHWBHYSIHV-QKLQHJQFSA-N	1	1	370.497	2.460	20	30		FEEDMO
C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1ccccc1SCCC#N)C2	ZINC000072639394	541843455	/nfs/dbraw/zinc/84/34/55/541843455.db2.gz	BXUUQKNNKYGFBU-LSDHHAIUSA-N	1	1	372.494	2.326	20	30		FEEDMO
CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000072776496	541864085	/nfs/dbraw/zinc/86/40/85/541864085.db2.gz	AUBNHCIYIRECTM-CRAIPNDOSA-N	1	1	373.501	2.404	20	30		FEEDMO
COc1ccc(N2CCC([N@@H+](C)CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1	ZINC000072801316	541868654	/nfs/dbraw/zinc/86/86/54/541868654.db2.gz	BVAHLTIPVPITOX-NRFANRHFSA-N	1	1	370.497	2.404	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N(C)CC[N@@H+](C)C1CC1	ZINC000545329695	541938725	/nfs/dbraw/zinc/93/87/25/541938725.db2.gz	PWFKJFSUHIGNIY-UHFFFAOYSA-N	1	1	353.430	2.005	20	30		FEEDMO
N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCC[NH+]1CCOCC1	ZINC000073426047	541953034	/nfs/dbraw/zinc/95/30/34/541953034.db2.gz	WNMVIMYYMFCCLZ-OALUTQOASA-N	1	1	356.470	2.190	20	30		FEEDMO
C[C@H](NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1cccc(C#N)c1	ZINC000074918308	542136595	/nfs/dbraw/zinc/13/65/95/542136595.db2.gz	MTGGVTZMRNHAOR-FXAWDEMLSA-N	1	1	369.513	2.431	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)o2)cc1	ZINC000075638415	542194648	/nfs/dbraw/zinc/19/46/48/542194648.db2.gz	UYZONGKJADMGRW-QGZVFWFLSA-N	1	1	365.437	2.346	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](C(=O)NCC4CC4)C3)o2)cc1	ZINC000075638415	542194652	/nfs/dbraw/zinc/19/46/52/542194652.db2.gz	UYZONGKJADMGRW-QGZVFWFLSA-N	1	1	365.437	2.346	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1	ZINC000801578316	674138126	/nfs/dbraw/zinc/13/81/26/674138126.db2.gz	UWWMWVQJBOSJPE-LJQANCHMSA-N	1	1	351.491	2.424	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccncc2)CC1	ZINC000076969274	542336782	/nfs/dbraw/zinc/33/67/82/542336782.db2.gz	FUBRWADBFJJAHN-QGZVFWFLSA-N	1	1	358.486	2.043	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccncc2)CC1	ZINC000076969274	542336784	/nfs/dbraw/zinc/33/67/84/542336784.db2.gz	FUBRWADBFJJAHN-QGZVFWFLSA-N	1	1	358.486	2.043	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccc(OC)cc1	ZINC000077384578	542375512	/nfs/dbraw/zinc/37/55/12/542375512.db2.gz	NLGSVSJZZJIKRO-UHFFFAOYSA-N	1	1	360.454	2.049	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCC2(CC1)OCCO2)Cc1ccc(OC)cc1	ZINC000077384578	542375515	/nfs/dbraw/zinc/37/55/15/542375515.db2.gz	NLGSVSJZZJIKRO-UHFFFAOYSA-N	1	1	360.454	2.049	20	30		FEEDMO
CCC(=O)N1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000077389450	542377082	/nfs/dbraw/zinc/37/70/82/542377082.db2.gz	IADYUXNVOGAIJC-UHFFFAOYSA-N	1	1	374.510	2.381	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ncc([N+](=O)[O-])cc1C#N	ZINC000078307433	542453631	/nfs/dbraw/zinc/45/36/31/542453631.db2.gz	QRYNPEPDYQUCGI-HNNXBMFYSA-N	1	1	366.425	2.484	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@@H](C)C#N)CC1	ZINC000079219374	542506549	/nfs/dbraw/zinc/50/65/49/542506549.db2.gz	CWKORPLAAFFOFQ-KRWDZBQOSA-N	1	1	357.502	2.125	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@H](C)C#N)CC1	ZINC000079219375	542506722	/nfs/dbraw/zinc/50/67/22/542506722.db2.gz	CWKORPLAAFFOFQ-QGZVFWFLSA-N	1	1	357.502	2.125	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CCN(c2cc(C)nc(C)n2)CC1	ZINC000080968058	542619763	/nfs/dbraw/zinc/61/97/63/542619763.db2.gz	HWYLRVDKXQLDII-UHFFFAOYSA-N	1	1	359.518	2.419	20	30		FEEDMO
C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCN(c2ccccn2)CC1	ZINC000080968593	542620408	/nfs/dbraw/zinc/62/04/08/542620408.db2.gz	AWZLJWJXDSLWDH-IBGZPJMESA-N	1	1	366.465	2.294	20	30		FEEDMO
COCCC[N@H+]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000081087941	542632039	/nfs/dbraw/zinc/63/20/39/542632039.db2.gz	ACNMODIDPIXSEW-IBGZPJMESA-N	1	1	372.513	2.366	20	30		FEEDMO
CNC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000081528565	542663434	/nfs/dbraw/zinc/66/34/34/542663434.db2.gz	UTRGTCWZWZNBHQ-IAGOWNOFSA-N	1	1	358.486	2.253	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)c3cc(C#N)cn3C)CC2)cs1	ZINC000081756179	542675761	/nfs/dbraw/zinc/67/57/61/542675761.db2.gz	AJMVMVYEPZWFCZ-UHFFFAOYSA-N	1	1	357.483	2.304	20	30		FEEDMO
COc1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1O	ZINC000086169207	542733844	/nfs/dbraw/zinc/73/38/44/542733844.db2.gz	FPJPSFRPUPONIU-KRWDZBQOSA-N	1	1	356.422	2.339	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1	ZINC000092541608	542869952	/nfs/dbraw/zinc/86/99/52/542869952.db2.gz	GKNCKBKDAOPGMG-UHFFFAOYSA-N	1	1	353.445	2.003	20	30		FEEDMO
CCOc1ccc(C[N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1	ZINC000092617096	542875284	/nfs/dbraw/zinc/87/52/84/542875284.db2.gz	DYHQJKJBKQNUPN-FQEVSTJZSA-N	1	1	372.513	2.209	20	30		FEEDMO
CCOc1ccc(C[N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1	ZINC000092617096	542875287	/nfs/dbraw/zinc/87/52/87/542875287.db2.gz	DYHQJKJBKQNUPN-FQEVSTJZSA-N	1	1	372.513	2.209	20	30		FEEDMO
Cc1[nH+]cn(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1C	ZINC000092856984	542892057	/nfs/dbraw/zinc/89/20/57/542892057.db2.gz	MSLKETQWNMAJHA-SFHVURJKSA-N	1	1	355.417	2.048	20	30		FEEDMO
CCc1nn(C)c(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1[N+](=O)[O-]	ZINC000092827608	542889829	/nfs/dbraw/zinc/88/98/29/542889829.db2.gz	VQVLHGODMHZWNA-UHFFFAOYSA-N	1	1	368.441	2.475	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000101910262	543048263	/nfs/dbraw/zinc/04/82/63/543048263.db2.gz	BCRIKTCOYUJZTB-PKOBYXMFSA-N	1	1	368.481	2.148	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000101910262	543048267	/nfs/dbraw/zinc/04/82/67/543048267.db2.gz	BCRIKTCOYUJZTB-PKOBYXMFSA-N	1	1	368.481	2.148	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000103466839	543109044	/nfs/dbraw/zinc/10/90/44/543109044.db2.gz	PVEQTGGSAXFNTL-CQSZACIVSA-N	1	1	370.482	2.366	20	30		FEEDMO
COc1ccc(-c2n[nH]c(CNC(=[NH2+])Nc3cccc(OC)c3)n2)cc1	ZINC000104194009	543126318	/nfs/dbraw/zinc/12/63/18/543126318.db2.gz	ACBCLDOCIIBZOK-UHFFFAOYSA-N	1	1	352.398	2.416	20	30		FEEDMO
CCCCOCCNC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104716324	543138360	/nfs/dbraw/zinc/13/83/60/543138360.db2.gz	GBRQZELXBWCABX-UHFFFAOYSA-N	1	1	359.470	2.334	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCCN1c1cccnn1	ZINC000106089597	543193603	/nfs/dbraw/zinc/19/36/03/543193603.db2.gz	OLSNVBDYCYCXLI-SFHVURJKSA-N	1	1	364.453	2.278	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCc1ccc(Br)cc1	ZINC000106861799	543250436	/nfs/dbraw/zinc/25/04/36/543250436.db2.gz	JSDFBUBRERGAJR-LBPRGKRZSA-N	1	1	368.275	2.324	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(O)C2	ZINC000111320361	543396060	/nfs/dbraw/zinc/39/60/60/543396060.db2.gz	NSGNIGWTOJHSQR-VPSFDDGASA-N	1	1	357.454	2.318	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2	ZINC000111320361	543396062	/nfs/dbraw/zinc/39/60/62/543396062.db2.gz	NSGNIGWTOJHSQR-VPSFDDGASA-N	1	1	357.454	2.318	20	30		FEEDMO
CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)CS(=O)(=O)CC	ZINC000112998968	543472525	/nfs/dbraw/zinc/47/25/25/543472525.db2.gz	QRCABUYDTHZNCB-AWEZNQCLSA-N	1	1	351.472	2.032	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)CS(=O)(=O)CC	ZINC000112998968	543472527	/nfs/dbraw/zinc/47/25/27/543472527.db2.gz	QRCABUYDTHZNCB-AWEZNQCLSA-N	1	1	351.472	2.032	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1	ZINC000114573704	543524582	/nfs/dbraw/zinc/52/45/82/543524582.db2.gz	MENRQULVBBANPD-VQTJNVASSA-N	1	1	369.513	2.138	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000118019733	543643166	/nfs/dbraw/zinc/64/31/66/543643166.db2.gz	SLURNSAZLCOIAG-CYBMUJFWSA-N	1	1	368.384	2.392	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000118096417	543644520	/nfs/dbraw/zinc/64/45/20/543644520.db2.gz	HZKDGDJXPYYSOH-CQSZACIVSA-N	1	1	360.483	2.231	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N	ZINC000118122952	543646325	/nfs/dbraw/zinc/64/63/25/543646325.db2.gz	RVRKDZDDRZLOHZ-CQSZACIVSA-N	1	1	362.499	2.333	20	30		FEEDMO
C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1	ZINC000121252984	543691654	/nfs/dbraw/zinc/69/16/54/543691654.db2.gz	GKBVLMJWBRVWRL-OAHLLOKOSA-N	1	1	367.515	2.470	20	30		FEEDMO
C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1	ZINC000121252984	543691655	/nfs/dbraw/zinc/69/16/55/543691655.db2.gz	GKBVLMJWBRVWRL-OAHLLOKOSA-N	1	1	367.515	2.470	20	30		FEEDMO
CCC[C@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)CC[N@H+]1CCOC	ZINC000121880618	543700796	/nfs/dbraw/zinc/70/07/96/543700796.db2.gz	KRIFZSTWQLIHEL-SFHVURJKSA-N	1	1	364.534	2.104	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](Cn2ccnn2)C1	ZINC000119449492	543668151	/nfs/dbraw/zinc/66/81/51/543668151.db2.gz	LLRWGLOJBZNXCF-HKUYNNGSSA-N	1	1	356.470	2.159	20	30		FEEDMO
C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C	ZINC000120458717	543680432	/nfs/dbraw/zinc/68/04/32/543680432.db2.gz	YGASEBXMVBWUTR-YOEHRIQHSA-N	1	1	356.470	2.367	20	30		FEEDMO
C=CC1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1	ZINC000125058572	543858402	/nfs/dbraw/zinc/85/84/02/543858402.db2.gz	BIEMWSHBECJOJG-MRXNPFEDSA-N	1	1	371.481	2.443	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)CC1	ZINC000127304648	543984439	/nfs/dbraw/zinc/98/44/39/543984439.db2.gz	LKMWQGPSTXWTQK-NRFANRHFSA-N	1	1	357.498	2.149	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1	ZINC000128276920	544042698	/nfs/dbraw/zinc/04/26/98/544042698.db2.gz	BRCMQSDDMGDSMB-UHFFFAOYSA-N	1	1	367.453	2.335	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000128489492	544055698	/nfs/dbraw/zinc/05/56/98/544055698.db2.gz	AMUPJZRKJFYBJK-INIZCTEOSA-N	1	1	360.433	2.263	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NCCCCn3cc[nH+]c3C)cc2C1=O	ZINC000130469217	544152579	/nfs/dbraw/zinc/15/25/79/544152579.db2.gz	VYGWGAXFMWFJAG-UHFFFAOYSA-N	1	1	366.421	2.184	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000134895051	544325771	/nfs/dbraw/zinc/32/57/71/544325771.db2.gz	XLIZXLZUVVJZCA-XLIONFOSSA-N	1	1	373.522	2.281	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)[N@@H+](C)Cc1ccccc1	ZINC000136245148	544369747	/nfs/dbraw/zinc/36/97/47/544369747.db2.gz	MJZMDYXQTOQFRP-AWEZNQCLSA-N	1	1	368.412	2.273	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CCC[N@H+]2CCC[C@H]2C1	ZINC000141561019	544413807	/nfs/dbraw/zinc/41/38/07/544413807.db2.gz	LFTRFFLFNATVFY-KRWDZBQOSA-N	1	1	357.454	2.423	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1	ZINC000136464716	544373608	/nfs/dbraw/zinc/37/36/08/544373608.db2.gz	VORUPENLULVFRI-OAHLLOKOSA-N	1	1	358.417	2.017	20	30		FEEDMO
C[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)C[NH+]1CCOCC1	ZINC000150720683	544465072	/nfs/dbraw/zinc/46/50/72/544465072.db2.gz	WPMKMGVZSGSSLD-KRWDZBQOSA-N	1	1	359.470	2.192	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)nc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000151447154	544543206	/nfs/dbraw/zinc/54/32/06/544543206.db2.gz	CTKHTNXLOWVAJL-UXHICEINSA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)nc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000151447154	544543210	/nfs/dbraw/zinc/54/32/10/544543210.db2.gz	CTKHTNXLOWVAJL-UXHICEINSA-N	1	1	364.449	2.363	20	30		FEEDMO
CN(C(=O)c1ccc(NC(=O)C2(C#N)CCC2)cc1)[C@H]1CCC[N@@H+](C)C1	ZINC000151782150	544578948	/nfs/dbraw/zinc/57/89/48/544578948.db2.gz	HKGJBSGBCYETGW-KRWDZBQOSA-N	1	1	354.454	2.485	20	30		FEEDMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1	ZINC000152425572	544651777	/nfs/dbraw/zinc/65/17/77/544651777.db2.gz	CIFTWYWMWJIFBA-RYUDHWBXSA-N	1	1	351.397	2.454	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000153177933	544743745	/nfs/dbraw/zinc/74/37/45/544743745.db2.gz	QTMPOJPIHSHRGV-BEFAXECRSA-N	1	1	362.433	2.133	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCSC1	ZINC000153777502	544821475	/nfs/dbraw/zinc/82/14/75/544821475.db2.gz	RJPNHDBPEPEVQA-LJQANCHMSA-N	1	1	372.538	2.030	20	30		FEEDMO
N#Cc1cc(Br)cc(S(=O)(=O)NCC[NH+]2CCCCC2)c1	ZINC000155131658	544994100	/nfs/dbraw/zinc/99/41/00/544994100.db2.gz	DXGYYEDWBWZQJD-UHFFFAOYSA-N	1	1	372.288	2.085	20	30		FEEDMO
C[NH+]1CCC(CNC(=O)c2cccc(F)c2C#N)(N2CCCCC2)CC1	ZINC000188283415	328077917	/nfs/dbraw/zinc/07/79/17/328077917.db2.gz	NQJIVRWAWUVQLG-UHFFFAOYSA-N	1	1	358.461	2.377	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000190051112	328184877	/nfs/dbraw/zinc/18/48/77/328184877.db2.gz	KKGGCEDNEZJRTE-MRXNPFEDSA-N	1	1	358.442	2.143	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)COc2ccc(C#N)c(Cl)c2)C1	ZINC000190249291	328196428	/nfs/dbraw/zinc/19/64/28/328196428.db2.gz	HPSZARWPTLLSNT-MRXNPFEDSA-N	1	1	365.861	2.063	20	30		FEEDMO
CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000192556679	328325608	/nfs/dbraw/zinc/32/56/08/328325608.db2.gz	FDJALVCRJDHJNS-RBUKOAKNSA-N	1	1	368.481	2.386	20	30		FEEDMO
CCN(CC)C(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000192556679	328325610	/nfs/dbraw/zinc/32/56/10/328325610.db2.gz	FDJALVCRJDHJNS-RBUKOAKNSA-N	1	1	368.481	2.386	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H]3C(N)=O)sc2C1	ZINC000192635712	328329907	/nfs/dbraw/zinc/32/99/07/328329907.db2.gz	NQFVJZJUASOJTK-BXUZGUMPSA-N	1	1	360.483	2.023	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@@H]3C(N)=O)sc2C1	ZINC000192635712	328329909	/nfs/dbraw/zinc/32/99/09/328329909.db2.gz	NQFVJZJUASOJTK-BXUZGUMPSA-N	1	1	360.483	2.023	20	30		FEEDMO
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C2	ZINC000193047193	328353853	/nfs/dbraw/zinc/35/38/53/328353853.db2.gz	HBJPQYVDZVZIQD-MQVJKMGUSA-N	1	1	371.485	2.185	20	30		FEEDMO
CC(C)OCC[NH+]1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000081637368	325190785	/nfs/dbraw/zinc/19/07/85/325190785.db2.gz	SDHZUIOPHQMIPN-UHFFFAOYSA-N	1	1	364.877	2.193	20	30		FEEDMO
CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089942882	325343806	/nfs/dbraw/zinc/34/38/06/325343806.db2.gz	YTHGPNYYHQERKD-GFCCVEGCSA-N	1	1	372.498	2.477	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)NCCCC1CCCCC1	ZINC000089943830	325344538	/nfs/dbraw/zinc/34/45/38/325344538.db2.gz	OXBWCMWBQFXIHX-UHFFFAOYSA-N	1	1	360.506	2.205	20	30		FEEDMO
C[C@H](C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[NH+]1CCSCC1	ZINC000092046212	325401295	/nfs/dbraw/zinc/40/12/95/325401295.db2.gz	CECSBVRLLFIOCX-ODIFPOPNSA-N	1	1	374.510	2.197	20	30		FEEDMO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1cn(-c2ccc(Cl)cc2)nn1	ZINC000121459878	326340332	/nfs/dbraw/zinc/34/03/32/326340332.db2.gz	KFPVZTPDKBTGEE-UHFFFAOYSA-N	1	1	370.848	2.162	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cn(-c2ccc(Cl)cc2)nn1	ZINC000121459878	326340334	/nfs/dbraw/zinc/34/03/34/326340334.db2.gz	KFPVZTPDKBTGEE-UHFFFAOYSA-N	1	1	370.848	2.162	20	30		FEEDMO
CCC[C@@H]1CN([C@H](C(=O)OC)c2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000121973326	326378944	/nfs/dbraw/zinc/37/89/44/326378944.db2.gz	PMFNESIECFCYMF-MOPGFXCFSA-N	1	1	359.470	2.205	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC[C@@H]21	ZINC000122320220	326392190	/nfs/dbraw/zinc/39/21/90/326392190.db2.gz	RYXCEFQYGVUDKL-LRDDRELGSA-N	1	1	353.875	2.316	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1ccc(F)cc1	ZINC000156640488	326838942	/nfs/dbraw/zinc/83/89/42/326838942.db2.gz	RDJVTVIOFWNYKA-INIZCTEOSA-N	1	1	365.405	2.418	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)CN1CC[NH+](C)CC1	ZINC000171149487	327120917	/nfs/dbraw/zinc/12/09/17/327120917.db2.gz	ABDUNMIVPQEYPJ-HNNXBMFYSA-N	1	1	360.506	2.120	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1	ZINC000172307728	327194620	/nfs/dbraw/zinc/19/46/20/327194620.db2.gz	FXSUFKPTJSAZLJ-INIZCTEOSA-N	1	1	372.469	2.132	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2cc(C#N)ccc2F)C[C@H](C)O1	ZINC000174030489	327302817	/nfs/dbraw/zinc/30/28/17/327302817.db2.gz	VTVBZNCVGUPGMY-OKILXGFUSA-N	1	1	362.449	2.384	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2cc(C#N)ccc2F)C[C@H](C)O1	ZINC000174030489	327302819	/nfs/dbraw/zinc/30/28/19/327302819.db2.gz	VTVBZNCVGUPGMY-OKILXGFUSA-N	1	1	362.449	2.384	20	30		FEEDMO
N#Cc1ccc(NC(=O)NCCC[NH+]2CCOCC2)cc1C(F)(F)F	ZINC000174093391	327305930	/nfs/dbraw/zinc/30/59/30/327305930.db2.gz	RTGCALIXXWXPSO-UHFFFAOYSA-N	1	1	356.348	2.421	20	30		FEEDMO
CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000175022939	327368805	/nfs/dbraw/zinc/36/88/05/327368805.db2.gz	YISFJINUNHMBHZ-HNNXBMFYSA-N	1	1	355.442	2.357	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CSc2ccc(C#N)cc2)CC1	ZINC000264510494	329031050	/nfs/dbraw/zinc/03/10/50/329031050.db2.gz	KAVLTBUAQFKOLD-GOSISDBHSA-N	1	1	372.538	2.279	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)COc3ccc(C#N)cc3)CC2)nc(C)[nH+]1	ZINC000267348573	329317518	/nfs/dbraw/zinc/31/75/18/329317518.db2.gz	JHUJEIMBMGOYAB-UHFFFAOYSA-N	1	1	365.437	2.129	20	30		FEEDMO
N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)c1	ZINC000267401817	329323254	/nfs/dbraw/zinc/32/32/54/329323254.db2.gz	ZXMJFRIFQYQQGD-SFHVURJKSA-N	1	1	367.497	2.256	20	30		FEEDMO
COC(=O)[C@@]1(F)CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000267776090	329356980	/nfs/dbraw/zinc/35/69/80/329356980.db2.gz	HDLIMJQXLFCGGS-QGZVFWFLSA-N	1	1	365.430	2.024	20	30		FEEDMO
COC(=O)[C@@]1(F)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000267776090	329356981	/nfs/dbraw/zinc/35/69/81/329356981.db2.gz	HDLIMJQXLFCGGS-QGZVFWFLSA-N	1	1	365.430	2.024	20	30		FEEDMO
C[NH+]1CCN(C[C@@H]2CCCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1	ZINC000367214066	330231152	/nfs/dbraw/zinc/23/11/52/330231152.db2.gz	ZDYUHUYWIMBXAP-INIZCTEOSA-N	1	1	360.889	2.311	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1	ZINC000371456142	330243845	/nfs/dbraw/zinc/24/38/45/330243845.db2.gz	FSMFZMWSQUKCNF-QZTJIDSGSA-N	1	1	370.453	2.267	20	30		FEEDMO
C#CCCCS(=O)(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000804948280	674308736	/nfs/dbraw/zinc/30/87/36/674308736.db2.gz	OJMXOCWWOLRWJX-CALCHBBNSA-N	1	1	364.511	2.129	20	30		FEEDMO
C#CCCCS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000805011546	674312517	/nfs/dbraw/zinc/31/25/17/674312517.db2.gz	WYTNLPDYLLIKAG-MRXNPFEDSA-N	1	1	370.902	2.343	20	30		FEEDMO
C#CCCCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1	ZINC000805011546	674312520	/nfs/dbraw/zinc/31/25/20/674312520.db2.gz	WYTNLPDYLLIKAG-MRXNPFEDSA-N	1	1	370.902	2.343	20	30		FEEDMO
C=C(Br)CNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1	ZINC000805637554	674348581	/nfs/dbraw/zinc/34/85/81/674348581.db2.gz	UMOZRVLBFJRYKU-ZDUSSCGKSA-N	1	1	374.323	2.028	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NC[C@]1(C)CCCO1	ZINC000328622550	523042220	/nfs/dbraw/zinc/04/22/20/523042220.db2.gz	ILSURVANRLFTKG-WDYCEAGBSA-N	1	1	363.506	2.218	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1C#N	ZINC000155500877	545533760	/nfs/dbraw/zinc/53/37/60/545533760.db2.gz	FXYDCDOOKWYRML-INIZCTEOSA-N	1	1	356.470	2.289	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)[N@@H+]1CCc2ccccc2C1	ZINC000156387661	545623925	/nfs/dbraw/zinc/62/39/25/545623925.db2.gz	MCTUGBPHRHHXAI-CQSZACIVSA-N	1	1	373.453	2.422	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)[N@H+]1CCc2ccccc2C1	ZINC000156387661	545623930	/nfs/dbraw/zinc/62/39/30/545623930.db2.gz	MCTUGBPHRHHXAI-CQSZACIVSA-N	1	1	373.453	2.422	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)Nc2ccccc2SCC#N)C1	ZINC000156622131	545640683	/nfs/dbraw/zinc/64/06/83/545640683.db2.gz	SDJXZEAIAFKAQS-OAHLLOKOSA-N	1	1	360.483	2.041	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1C#N	ZINC000157689234	545770681	/nfs/dbraw/zinc/77/06/81/545770681.db2.gz	DLYRMNAMCJHKOU-MRXNPFEDSA-N	1	1	373.501	2.350	20	30		FEEDMO
Cc1cc(C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n[nH]1	ZINC000158260242	545840473	/nfs/dbraw/zinc/84/04/73/545840473.db2.gz	JGZJSJSXXZYDQU-HNNXBMFYSA-N	1	1	368.485	2.294	20	30		FEEDMO
C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000159130683	545924112	/nfs/dbraw/zinc/92/41/12/545924112.db2.gz	IORWVJVNJOCEAT-IINYFYTJSA-N	1	1	354.357	2.000	20	30		FEEDMO
C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000159130683	545924115	/nfs/dbraw/zinc/92/41/15/545924115.db2.gz	IORWVJVNJOCEAT-IINYFYTJSA-N	1	1	354.357	2.000	20	30		FEEDMO
CCc1cc(=O)[nH]c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000160627872	546057604	/nfs/dbraw/zinc/05/76/04/546057604.db2.gz	ZLBGBCFEXHRUTC-UHFFFAOYSA-N	1	1	351.454	2.324	20	30		FEEDMO
C#CCOCCC(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000160709211	546064966	/nfs/dbraw/zinc/06/49/66/546064966.db2.gz	PQUBACNIPIPFNO-SFHVURJKSA-N	1	1	352.438	2.309	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)NC[C@@H](C(CC)CC)N2CCOCC2)CC1	ZINC000171707870	546219616	/nfs/dbraw/zinc/21/96/16/546219616.db2.gz	OXOCVXTWLRFDBS-IBGZPJMESA-N	1	1	366.550	2.073	20	30		FEEDMO
COc1cccc([C@H](C)[NH+]2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c1	ZINC000171706496	546219990	/nfs/dbraw/zinc/21/99/90/546219990.db2.gz	LAVMTJXTDKMUSU-KKSFZXQISA-N	1	1	370.497	2.182	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](OCCO)C2)cc1	ZINC000172301916	546246009	/nfs/dbraw/zinc/24/60/09/546246009.db2.gz	QNCFLVJOLUIGNC-HKUYNNGSSA-N	1	1	359.470	2.104	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](OCCO)C2)cc1	ZINC000172301916	546246011	/nfs/dbraw/zinc/24/60/11/546246011.db2.gz	QNCFLVJOLUIGNC-HKUYNNGSSA-N	1	1	359.470	2.104	20	30		FEEDMO
Cc1nc(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)ccc1C#N	ZINC000172595785	546260116	/nfs/dbraw/zinc/26/01/16/546260116.db2.gz	DDRVAFLJARCGEQ-MRXNPFEDSA-N	1	1	363.465	2.202	20	30		FEEDMO
C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12	ZINC000174846117	546304666	/nfs/dbraw/zinc/30/46/66/546304666.db2.gz	AZAOVRUKTYFYGU-CABCVRRESA-N	1	1	352.438	2.323	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000175623069	546322362	/nfs/dbraw/zinc/32/23/62/546322362.db2.gz	USYJEGUNFRCABM-UHFFFAOYSA-N	1	1	373.501	2.447	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000175623069	546322367	/nfs/dbraw/zinc/32/23/67/546322367.db2.gz	USYJEGUNFRCABM-UHFFFAOYSA-N	1	1	373.501	2.447	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1	ZINC000175851608	546362059	/nfs/dbraw/zinc/36/20/59/546362059.db2.gz	BTENQAFJFZTROE-HZPDHXFCSA-N	1	1	360.483	2.292	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1OCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1	ZINC000178185673	546753900	/nfs/dbraw/zinc/75/39/00/546753900.db2.gz	ZRNUNFWUXUZNAP-SFHVURJKSA-N	1	1	359.470	2.027	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000178417479	546790688	/nfs/dbraw/zinc/79/06/88/546790688.db2.gz	DVNPXCWUDOOVNC-GASCZTMLSA-N	1	1	356.470	2.289	20	30		FEEDMO
NC(=[NH+]OCCCS(=O)(=O)c1ccccc1)c1ccc2c(c1)CCO2	ZINC000178977715	546882502	/nfs/dbraw/zinc/88/25/02/546882502.db2.gz	UURKVHPYBCMPQP-UHFFFAOYSA-N	1	1	360.435	2.122	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000481829288	561243516	/nfs/dbraw/zinc/24/35/16/561243516.db2.gz	JCWAPORYRUBXNH-RBUKOAKNSA-N	1	1	371.525	2.480	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1	ZINC000179508307	546968614	/nfs/dbraw/zinc/96/86/14/546968614.db2.gz	JBPCNYVDLRBOIT-IRXDYDNUSA-N	1	1	367.453	2.173	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1	ZINC000179508307	546968619	/nfs/dbraw/zinc/96/86/19/546968619.db2.gz	JBPCNYVDLRBOIT-IRXDYDNUSA-N	1	1	367.453	2.173	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1	ZINC000179508307	546968622	/nfs/dbraw/zinc/96/86/22/546968622.db2.gz	JBPCNYVDLRBOIT-IRXDYDNUSA-N	1	1	367.453	2.173	20	30		FEEDMO
N#CC1(NC(=O)C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CCCCC1	ZINC000179567001	546977861	/nfs/dbraw/zinc/97/78/61/546977861.db2.gz	LWOSYDGXBNJQHG-SFHVURJKSA-N	1	1	368.481	2.282	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1	ZINC000483173763	561269586	/nfs/dbraw/zinc/26/95/86/561269586.db2.gz	IAQCMQILZCYMKK-WIYYLYMNSA-N	1	1	361.482	2.425	20	30		FEEDMO
COCCOc1ccccc1N1CC[NH+](Cc2cc(C#N)n(C)c2)CC1	ZINC000483256895	561271920	/nfs/dbraw/zinc/27/19/20/561271920.db2.gz	FNGRYHBUMUXMLP-UHFFFAOYSA-N	1	1	354.454	2.244	20	30		FEEDMO
CC[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000181347237	547296901	/nfs/dbraw/zinc/29/69/01/547296901.db2.gz	JMHSDEVEFBXXDT-MOPGFXCFSA-N	1	1	352.438	2.296	20	30		FEEDMO
CC[C@@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000181347237	547296904	/nfs/dbraw/zinc/29/69/04/547296904.db2.gz	JMHSDEVEFBXXDT-MOPGFXCFSA-N	1	1	352.438	2.296	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000483497622	561278453	/nfs/dbraw/zinc/27/84/53/561278453.db2.gz	UVIHFRQYXJOCDZ-NVXWUHKLSA-N	1	1	359.470	2.304	20	30		FEEDMO
CS(=O)(=O)C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1	ZINC000181785317	547380239	/nfs/dbraw/zinc/38/02/39/547380239.db2.gz	SXQYHYYACDFBDO-SFHVURJKSA-N	1	1	371.462	2.262	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1	ZINC000183412652	547654371	/nfs/dbraw/zinc/65/43/71/547654371.db2.gz	LZOPDUGVHMFZMR-OAHLLOKOSA-N	1	1	366.531	2.154	20	30		FEEDMO
N#Cc1cc(F)c(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(F)c1	ZINC000183426889	547656645	/nfs/dbraw/zinc/65/66/45/547656645.db2.gz	HUBYLVDSLZGVFV-MRXNPFEDSA-N	1	1	371.387	2.333	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(C#N)ccc2OCCOC)C1	ZINC000183511302	547673455	/nfs/dbraw/zinc/67/34/55/547673455.db2.gz	JGVVUGULMFIGTB-INIZCTEOSA-N	1	1	360.458	2.437	20	30		FEEDMO
CC[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@H+]1Cc1ccccc1	ZINC000183753532	547713175	/nfs/dbraw/zinc/71/31/75/547713175.db2.gz	FLPLFARFYPXSNO-CTNGQTDRSA-N	1	1	354.498	2.391	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000184328782	547808379	/nfs/dbraw/zinc/80/83/79/547808379.db2.gz	NABUWOTYGRSEFG-PXNSSMCTSA-N	1	1	372.513	2.104	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C	ZINC000184622603	547855396	/nfs/dbraw/zinc/85/53/96/547855396.db2.gz	NFNNXLZEFBSUKO-QGZVFWFLSA-N	1	1	360.458	2.387	20	30		FEEDMO
N#Cc1cc(Cl)ccc1CN1CCC[N@H+](CC(=O)N2CCCC2)CC1	ZINC000186639546	548164197	/nfs/dbraw/zinc/16/41/97/548164197.db2.gz	MQTSMSVLYVFOIL-UHFFFAOYSA-N	1	1	360.889	2.342	20	30		FEEDMO
N#Cc1cc(Cl)ccc1CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1	ZINC000186639546	548164199	/nfs/dbraw/zinc/16/41/99/548164199.db2.gz	MQTSMSVLYVFOIL-UHFFFAOYSA-N	1	1	360.889	2.342	20	30		FEEDMO
N#Cc1c(F)cccc1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000187042539	548246363	/nfs/dbraw/zinc/24/63/63/548246363.db2.gz	SFCJYMPRHNJODW-SFHVURJKSA-N	1	1	366.396	2.399	20	30		FEEDMO
N#Cc1c(F)cccc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000187042539	548246366	/nfs/dbraw/zinc/24/63/66/548246366.db2.gz	SFCJYMPRHNJODW-SFHVURJKSA-N	1	1	366.396	2.399	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000188359352	548278094	/nfs/dbraw/zinc/27/80/94/548278094.db2.gz	OWIONPUXXQNISH-HXUWFJFHSA-N	1	1	359.470	2.242	20	30		FEEDMO
C=CC[N@@H+](CCOC)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000191075191	548340357	/nfs/dbraw/zinc/34/03/57/548340357.db2.gz	LSLQYTGOSIKHCJ-KRWDZBQOSA-N	1	1	360.454	2.256	20	30		FEEDMO
C=CC[N@H+](CCOC)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000191075191	548340363	/nfs/dbraw/zinc/34/03/63/548340363.db2.gz	LSLQYTGOSIKHCJ-KRWDZBQOSA-N	1	1	360.454	2.256	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000194321813	548465452	/nfs/dbraw/zinc/46/54/52/548465452.db2.gz	HXLMQLGZHRMSRU-HNNXBMFYSA-N	1	1	374.872	2.388	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000194321813	548465455	/nfs/dbraw/zinc/46/54/55/548465455.db2.gz	HXLMQLGZHRMSRU-HNNXBMFYSA-N	1	1	374.872	2.388	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)CC1	ZINC000194965866	548557357	/nfs/dbraw/zinc/55/73/57/548557357.db2.gz	XFZIODAHVUTMHK-UHFFFAOYSA-N	1	1	369.465	2.324	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC1	ZINC000194965866	548557358	/nfs/dbraw/zinc/55/73/58/548557358.db2.gz	XFZIODAHVUTMHK-UHFFFAOYSA-N	1	1	369.465	2.324	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000195669221	548656724	/nfs/dbraw/zinc/65/67/24/548656724.db2.gz	GVTUQTVIKNNEHP-IAGOWNOFSA-N	1	1	372.517	2.192	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000195669221	548656730	/nfs/dbraw/zinc/65/67/30/548656730.db2.gz	GVTUQTVIKNNEHP-IAGOWNOFSA-N	1	1	372.517	2.192	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	ZINC000487429319	561369601	/nfs/dbraw/zinc/36/96/01/561369601.db2.gz	JCOHAPDXMAOJCB-PBHICJAKSA-N	1	1	354.454	2.406	20	30		FEEDMO
CN(C(=O)CSCC#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000245715794	548981567	/nfs/dbraw/zinc/98/15/67/548981567.db2.gz	OOSKEMYMULGFSV-DLBZAZTESA-N	1	1	352.548	2.039	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000488209897	561386214	/nfs/dbraw/zinc/38/62/14/561386214.db2.gz	OJFBSZBJYWGDQT-JENIJYKNSA-N	1	1	357.498	2.484	20	30		FEEDMO
CCn1cnnc1[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000246105401	549053374	/nfs/dbraw/zinc/05/33/74/549053374.db2.gz	IKONLNPHNOEMBY-WMZOPIPTSA-N	1	1	364.453	2.155	20	30		FEEDMO
CCn1cnnc1[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000246105401	549053380	/nfs/dbraw/zinc/05/33/80/549053380.db2.gz	IKONLNPHNOEMBY-WMZOPIPTSA-N	1	1	364.453	2.155	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H](O)COCc1ccccc1	ZINC000246407172	549127079	/nfs/dbraw/zinc/12/70/79/549127079.db2.gz	RINMDEZIMQTISJ-QFBILLFUSA-N	1	1	367.449	2.395	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H](O)COCc1ccccc1	ZINC000246407172	549127081	/nfs/dbraw/zinc/12/70/81/549127081.db2.gz	RINMDEZIMQTISJ-QFBILLFUSA-N	1	1	367.449	2.395	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000246484086	549142501	/nfs/dbraw/zinc/14/25/01/549142501.db2.gz	BANWSNUAZPTAGN-WFASDCNBSA-N	1	1	353.875	2.316	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1	ZINC000488656004	561393913	/nfs/dbraw/zinc/39/39/13/561393913.db2.gz	DUDMEIZSRHDWOG-GOSISDBHSA-N	1	1	359.470	2.379	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1	ZINC000488656004	561393914	/nfs/dbraw/zinc/39/39/14/561393914.db2.gz	DUDMEIZSRHDWOG-GOSISDBHSA-N	1	1	359.470	2.379	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN(C)C[C@@H]2CCC[N@H+](C)C2)c(OC)c1	ZINC000246857385	549229703	/nfs/dbraw/zinc/22/97/03/549229703.db2.gz	KOKUIYJYAFEXDS-RTBURBONSA-N	1	1	362.514	2.437	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN(C)C[C@@H]2CCC[N@@H+](C)C2)c(OC)c1	ZINC000246857385	549229707	/nfs/dbraw/zinc/22/97/07/549229707.db2.gz	KOKUIYJYAFEXDS-RTBURBONSA-N	1	1	362.514	2.437	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)C[C@@H]2CCCN(C)C2)c(OC)c1	ZINC000246857385	549229711	/nfs/dbraw/zinc/22/97/11/549229711.db2.gz	KOKUIYJYAFEXDS-RTBURBONSA-N	1	1	362.514	2.437	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H]2CCCN(C)C2)c(OC)c1	ZINC000246857385	549229714	/nfs/dbraw/zinc/22/97/14/549229714.db2.gz	KOKUIYJYAFEXDS-RTBURBONSA-N	1	1	362.514	2.437	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000247012302	549264305	/nfs/dbraw/zinc/26/43/05/549264305.db2.gz	XLIZXLZUVVJZCA-PXNSSMCTSA-N	1	1	373.522	2.281	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1	ZINC000489025180	561401928	/nfs/dbraw/zinc/40/19/28/561401928.db2.gz	GRHZMIMGCAIHBX-AEFFLSMTSA-N	1	1	371.412	2.375	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2cccc(C#N)c2)[C@@H](C)C1	ZINC000247249388	549306410	/nfs/dbraw/zinc/30/64/10/549306410.db2.gz	PJDHTXYVLAUOQL-QFBILLFUSA-N	1	1	358.486	2.494	20	30		FEEDMO
CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000489132526	561404237	/nfs/dbraw/zinc/40/42/37/561404237.db2.gz	RJJNDOTXMNWERJ-UHFFFAOYSA-N	1	1	353.463	2.440	20	30		FEEDMO
C=CCCCS(=O)(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1	ZINC000489215039	561405791	/nfs/dbraw/zinc/40/57/91/561405791.db2.gz	HOBDERJGNJQBPF-UHFFFAOYSA-N	1	1	365.543	2.032	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC[C@H]21	ZINC000248395069	549427033	/nfs/dbraw/zinc/42/70/33/549427033.db2.gz	OBRBUGPQQNDROB-NVXWUHKLSA-N	1	1	365.441	2.087	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000248691967	549484942	/nfs/dbraw/zinc/48/49/42/549484942.db2.gz	ZCLOGPYCKKKTMX-GJZGRUSLSA-N	1	1	373.501	2.290	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1cccc(C#N)c1	ZINC000248699488	549485812	/nfs/dbraw/zinc/48/58/12/549485812.db2.gz	AAQFAISRYNUHQN-OXJNMPFZSA-N	1	1	369.490	2.498	20	30		FEEDMO
C=CCCCS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000489566414	561414310	/nfs/dbraw/zinc/41/43/10/561414310.db2.gz	HHSGTSMNBQEQRZ-INIZCTEOSA-N	1	1	368.499	2.164	20	30		FEEDMO
C=CCCCS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000489566414	561414311	/nfs/dbraw/zinc/41/43/11/561414311.db2.gz	HHSGTSMNBQEQRZ-INIZCTEOSA-N	1	1	368.499	2.164	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H]3C(N)=O)sc2C1	ZINC000249111023	549552771	/nfs/dbraw/zinc/55/27/71/549552771.db2.gz	NQFVJZJUASOJTK-RISCZKNCSA-N	1	1	360.483	2.023	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCC[C@H]3C(N)=O)sc2C1	ZINC000249111023	549552775	/nfs/dbraw/zinc/55/27/75/549552775.db2.gz	NQFVJZJUASOJTK-RISCZKNCSA-N	1	1	360.483	2.023	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1CC[N@H+](C[C@H](C)O)C[C@@H]1C	ZINC000249517370	549599348	/nfs/dbraw/zinc/59/93/48/549599348.db2.gz	RZKDRKCHTKICQT-HOTGVXAUSA-N	1	1	363.527	2.290	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1	ZINC000249708466	549617638	/nfs/dbraw/zinc/61/76/38/549617638.db2.gz	CCARABVSCGMMRN-DLBZAZTESA-N	1	1	356.470	2.345	20	30		FEEDMO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]([NH2+]C)c2cnn(C)c2)cc1	ZINC000262525097	549826428	/nfs/dbraw/zinc/82/64/28/549826428.db2.gz	LEZISXRDAQEHAJ-GOSISDBHSA-N	1	1	367.453	2.134	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C	ZINC000263642504	549911831	/nfs/dbraw/zinc/91/18/31/549911831.db2.gz	ADZYLMDLOXLFQC-LJQANCHMSA-N	1	1	372.513	2.327	20	30		FEEDMO
C[N@@H+](CCOc1cccc(CNc2nccnc2C#N)c1)C1CCOCC1	ZINC000263936841	549957256	/nfs/dbraw/zinc/95/72/56/549957256.db2.gz	CVAFXPAHSCOJGZ-UHFFFAOYSA-N	1	1	367.453	2.450	20	30		FEEDMO
[NH2+]=C(NCCCCN1CCOCC1)Nc1ccc(OC(F)(F)F)cc1	ZINC000264129939	549982850	/nfs/dbraw/zinc/98/28/50/549982850.db2.gz	XTNRDMTZAGFDEG-UHFFFAOYSA-N	1	1	360.380	2.424	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C2OCCO2)C1	ZINC000264132469	549983185	/nfs/dbraw/zinc/98/31/85/549983185.db2.gz	OUSGQKCYJBYHCX-AWEZNQCLSA-N	1	1	361.467	2.326	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C2OCCO2)C1	ZINC000264132469	549983188	/nfs/dbraw/zinc/98/31/88/549983188.db2.gz	OUSGQKCYJBYHCX-AWEZNQCLSA-N	1	1	361.467	2.326	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1	ZINC000264181516	549988807	/nfs/dbraw/zinc/98/88/07/549988807.db2.gz	KNFMGWQMOURQGH-INIZCTEOSA-N	1	1	351.491	2.376	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCN1Cc1ccccc1	ZINC000265113055	550006180	/nfs/dbraw/zinc/00/61/80/550006180.db2.gz	DWCCNMQCCJJRFQ-VAMGGRTRSA-N	1	1	367.497	2.033	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCN1Cc1ccccc1	ZINC000265113053	550006217	/nfs/dbraw/zinc/00/62/17/550006217.db2.gz	DWCCNMQCCJJRFQ-HSALFYBXSA-N	1	1	367.497	2.033	20	30		FEEDMO
CC(C)c1noc(CO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C)n1	ZINC000265548345	550011619	/nfs/dbraw/zinc/01/16/19/550011619.db2.gz	YEZNFAYKORXDIN-NSHDSACASA-N	1	1	355.439	2.485	20	30		FEEDMO
C=CC[N@H+](CCc1ccco1)C[C@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000491331307	561444724	/nfs/dbraw/zinc/44/47/24/561444724.db2.gz	XNHBUFCGFSCEOE-KRWDZBQOSA-N	1	1	369.421	2.188	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000268394570	550058306	/nfs/dbraw/zinc/05/83/06/550058306.db2.gz	YHRVPWAOHAKSAV-QRWLVFNGSA-N	1	1	373.453	2.215	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000268394570	550058308	/nfs/dbraw/zinc/05/83/08/550058308.db2.gz	YHRVPWAOHAKSAV-QRWLVFNGSA-N	1	1	373.453	2.215	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000269634645	550212250	/nfs/dbraw/zinc/21/22/50/550212250.db2.gz	XBQKDLCIBCDSGO-UHFFFAOYSA-N	1	1	359.817	2.204	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC2(c3cccc(C#N)c3)CC2)CC1	ZINC000269682778	550216471	/nfs/dbraw/zinc/21/64/71/550216471.db2.gz	NBMBZMKFBSPYAT-KRWDZBQOSA-N	1	1	369.513	2.120	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc(CC#N)cc1	ZINC000270314514	550261127	/nfs/dbraw/zinc/26/11/27/550261127.db2.gz	IKYFYGDNYDXGCE-QGZVFWFLSA-N	1	1	363.465	2.088	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC)C1CC1	ZINC000271472851	550377792	/nfs/dbraw/zinc/37/77/92/550377792.db2.gz	RIMWFDPGXPTISY-GOSISDBHSA-N	1	1	355.438	2.019	20	30		FEEDMO
C=CC[N@H+](CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC)C1CC1	ZINC000271472851	550377793	/nfs/dbraw/zinc/37/77/93/550377793.db2.gz	RIMWFDPGXPTISY-GOSISDBHSA-N	1	1	355.438	2.019	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)[C@H]2C1	ZINC000272358768	550440649	/nfs/dbraw/zinc/44/06/49/550440649.db2.gz	RVNWMWNHXRAYJC-HOCLYGCPSA-N	1	1	372.494	2.183	20	30		FEEDMO
O=C(NCC#Cc1ccccc1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000272747769	550468508	/nfs/dbraw/zinc/46/85/08/550468508.db2.gz	ICCVKWDICVAABT-NRFANRHFSA-N	1	1	363.461	2.104	20	30		FEEDMO
COC(=O)c1ccc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[nH]1	ZINC000272755260	550469025	/nfs/dbraw/zinc/46/90/25/550469025.db2.gz	OXAFPHJSEOTYDH-UHFFFAOYSA-N	1	1	352.438	2.381	20	30		FEEDMO
C[C@H](C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl)N1CC[NH+](C)CC1	ZINC000273544632	550502584	/nfs/dbraw/zinc/50/25/84/550502584.db2.gz	UKTWDSLCXMOITB-RISCZKNCSA-N	1	1	355.269	2.310	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH2+][C@H](CCSC)c1nnc2ccccn21	ZINC000274051198	550521143	/nfs/dbraw/zinc/52/11/43/550521143.db2.gz	PKIRWCNEFSNINC-OAHLLOKOSA-N	1	1	359.499	2.314	20	30		FEEDMO
N#Cc1ccc(CN2C(=O)N[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1	ZINC000274351516	550533794	/nfs/dbraw/zinc/53/37/94/550533794.db2.gz	SKNCUHRVTOIERV-OAQYLSRUSA-N	1	1	360.417	2.255	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C	ZINC000274702826	550550146	/nfs/dbraw/zinc/55/01/46/550550146.db2.gz	QQVFZKNMNKOHGS-MRXNPFEDSA-N	1	1	371.462	2.118	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CO)c1cnn(C)c1	ZINC000275220813	550571203	/nfs/dbraw/zinc/57/12/03/550571203.db2.gz	UIZFAEBMZIVQAK-CZUORRHYSA-N	1	1	373.482	2.076	20	30		FEEDMO
C=CCCN(C)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000276050390	550576128	/nfs/dbraw/zinc/57/61/28/550576128.db2.gz	HLGJXCKWNAXHHC-UHFFFAOYSA-N	1	1	360.458	2.123	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1	ZINC000276057390	550576283	/nfs/dbraw/zinc/57/62/83/550576283.db2.gz	KKFVUTQYOMIAQB-HNNXBMFYSA-N	1	1	357.454	2.347	20	30		FEEDMO
CCCn1ccnc1CCC[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000277326505	550656892	/nfs/dbraw/zinc/65/68/92/550656892.db2.gz	VJGKSHIKEHXGMF-GOSISDBHSA-N	1	1	356.470	2.469	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000278202334	550760153	/nfs/dbraw/zinc/76/01/53/550760153.db2.gz	FUFNFVNSXRDOQL-KZNAEPCWSA-N	1	1	357.454	2.056	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000278202334	550760155	/nfs/dbraw/zinc/76/01/55/550760155.db2.gz	FUFNFVNSXRDOQL-KZNAEPCWSA-N	1	1	357.454	2.056	20	30		FEEDMO
N#Cc1sc(NCCC[NH+]2CCN(c3ncccn3)CC2)nc1Cl	ZINC000278483420	550791112	/nfs/dbraw/zinc/79/11/12/550791112.db2.gz	FWPTVILPDHUDKO-UHFFFAOYSA-N	1	1	363.878	2.082	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1CCC(=O)Nc1ccccc1C#N	ZINC000278806885	550823949	/nfs/dbraw/zinc/82/39/49/550823949.db2.gz	ZQLYFUDNOPBWFL-MRXNPFEDSA-N	1	1	356.470	2.072	20	30		FEEDMO
Cc1c[nH+]ccc1OC1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000278902294	550834254	/nfs/dbraw/zinc/83/42/54/550834254.db2.gz	RFCGVDGIKRYOHA-UHFFFAOYSA-N	1	1	357.435	2.494	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c(-c2ccncc2)n1	ZINC000279406172	550886478	/nfs/dbraw/zinc/88/64/78/550886478.db2.gz	NANQSAWCRDAVGW-GOSISDBHSA-N	1	1	364.453	2.102	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c(-c2ccncc2)n1	ZINC000279406172	550886479	/nfs/dbraw/zinc/88/64/79/550886479.db2.gz	NANQSAWCRDAVGW-GOSISDBHSA-N	1	1	364.453	2.102	20	30		FEEDMO
CC(C)C(=O)NCC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000279463759	550893274	/nfs/dbraw/zinc/89/32/74/550893274.db2.gz	UTWSISKETGOHHY-UHFFFAOYSA-N	1	1	354.458	2.063	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO	ZINC000280162933	550966878	/nfs/dbraw/zinc/96/68/78/550966878.db2.gz	IGAYHVBYFKJMJH-XUVXKRRUSA-N	1	1	358.482	2.241	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)c2ccccc2Br)C1=O	ZINC000281231058	551076239	/nfs/dbraw/zinc/07/62/39/551076239.db2.gz	FKSAVEFNVNPPCE-HUUCEWRRSA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)c2ccccc2Br)C1=O	ZINC000281231058	551076241	/nfs/dbraw/zinc/07/62/41/551076241.db2.gz	FKSAVEFNVNPPCE-HUUCEWRRSA-N	1	1	353.260	2.201	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1	ZINC000281509792	551107050	/nfs/dbraw/zinc/10/70/50/551107050.db2.gz	YRCRIFZWGVKRHE-NUJGCVRESA-N	1	1	370.453	2.061	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1	ZINC000281509792	551107052	/nfs/dbraw/zinc/10/70/52/551107052.db2.gz	YRCRIFZWGVKRHE-NUJGCVRESA-N	1	1	370.453	2.061	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000281644684	551124677	/nfs/dbraw/zinc/12/46/77/551124677.db2.gz	RIGAZHUZNKDLMC-WOJBJXKFSA-N	1	1	368.481	2.200	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1	ZINC000281855861	551149025	/nfs/dbraw/zinc/14/90/25/551149025.db2.gz	RPCYOWJEWGJWHS-SJLPKXTDSA-N	1	1	355.442	2.356	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)C1=O	ZINC000281869016	551150939	/nfs/dbraw/zinc/15/09/39/551150939.db2.gz	BZQLRAYHGIMDBB-DZGCQCFKSA-N	1	1	372.387	2.164	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1	ZINC000284400028	551541337	/nfs/dbraw/zinc/54/13/37/551541337.db2.gz	JBLJNIDZILARAD-KRWDZBQOSA-N	1	1	370.497	2.145	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1	ZINC000284572756	551580041	/nfs/dbraw/zinc/58/00/41/551580041.db2.gz	NGVGYNBYBYYCGK-SFHVURJKSA-N	1	1	373.497	2.373	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1	ZINC000284759020	551626027	/nfs/dbraw/zinc/62/60/27/551626027.db2.gz	LYXINPBLSVSCJA-MSOLQXFVSA-N	1	1	365.437	2.326	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1	ZINC000284759020	551626028	/nfs/dbraw/zinc/62/60/28/551626028.db2.gz	LYXINPBLSVSCJA-MSOLQXFVSA-N	1	1	365.437	2.326	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000285277712	551730887	/nfs/dbraw/zinc/73/08/87/551730887.db2.gz	ZTOOYEOVKFUYQZ-IRXDYDNUSA-N	1	1	361.486	2.073	20	30		FEEDMO
CC(C)(C(=O)NCCCC[N@H+]1CCC[C@H]1CO)c1cc(F)cc(C#N)c1	ZINC000285494152	551765207	/nfs/dbraw/zinc/76/52/07/551765207.db2.gz	ARCWSQPJXVVQCN-SFHVURJKSA-N	1	1	361.461	2.328	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000285780761	551809657	/nfs/dbraw/zinc/80/96/57/551809657.db2.gz	LJJUTHKXBBONTK-LJQANCHMSA-N	1	1	357.498	2.092	20	30		FEEDMO
N#CC1(CS(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)CCCC1	ZINC000498897863	561537120	/nfs/dbraw/zinc/53/71/20/561537120.db2.gz	RNSCIZHNWJHDMV-UHFFFAOYSA-N	1	1	361.511	2.438	20	30		FEEDMO
CC(=O)c1ccc(C#N)c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1	ZINC000286272753	551868049	/nfs/dbraw/zinc/86/80/49/551868049.db2.gz	GGSMXIRGJKSKNY-AYHJJNSGSA-N	1	1	354.454	2.256	20	30		FEEDMO
CC(=O)c1ccc(C#N)c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1	ZINC000286272753	551868050	/nfs/dbraw/zinc/86/80/50/551868050.db2.gz	GGSMXIRGJKSKNY-AYHJJNSGSA-N	1	1	354.454	2.256	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1	ZINC000286887879	551936877	/nfs/dbraw/zinc/93/68/77/551936877.db2.gz	DSBZEXFLQYWEHH-PZJWPPBQSA-N	1	1	370.541	2.194	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000287422891	552002234	/nfs/dbraw/zinc/00/22/34/552002234.db2.gz	QWXSSIJUPYNEBJ-KRWDZBQOSA-N	1	1	373.497	2.058	20	30		FEEDMO
N#CC1(C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1	ZINC000287604682	552024421	/nfs/dbraw/zinc/02/44/21/552024421.db2.gz	YLMPCBWGQPMEGM-LJQANCHMSA-N	1	1	352.482	2.099	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(C)C	ZINC000287621783	552026517	/nfs/dbraw/zinc/02/65/17/552026517.db2.gz	PPGZJXGXVPRYON-IAGOWNOFSA-N	1	1	368.543	2.016	20	30		FEEDMO
C=C(C)[C@@H](NC(=O)N1CC[NH+](C[C@@H](C)O)CC1)c1ccc(F)c(F)c1	ZINC000288143455	552099162	/nfs/dbraw/zinc/09/91/62/552099162.db2.gz	KYYBBBQLLRAQMT-CXAGYDPISA-N	1	1	353.413	2.290	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C#N)o1	ZINC000288191058	552107454	/nfs/dbraw/zinc/10/74/54/552107454.db2.gz	PRFFMWYTULJOCR-WMLDXEAASA-N	1	1	359.451	2.340	20	30		FEEDMO
Cc1onc(CC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N	ZINC000499873532	561560239	/nfs/dbraw/zinc/56/02/39/561560239.db2.gz	MOZDIORGLNRLDT-KRWDZBQOSA-N	1	1	352.438	2.378	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289034045	552256003	/nfs/dbraw/zinc/25/60/03/552256003.db2.gz	GFJVEVUNBNXHRW-IEBWSBKVSA-N	1	1	357.498	2.438	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1	ZINC000500213090	561567944	/nfs/dbraw/zinc/56/79/44/561567944.db2.gz	RVPACFCMIJYTDD-NRFANRHFSA-N	1	1	370.497	2.277	20	30		FEEDMO
C=CCn1c(-c2cccnc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000289599348	552347461	/nfs/dbraw/zinc/34/74/61/552347461.db2.gz	IOAUBZXNFQJPOB-MRXNPFEDSA-N	1	1	368.485	2.216	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1	ZINC000289721907	552367949	/nfs/dbraw/zinc/36/79/49/552367949.db2.gz	PIHSNVYSUJJOMY-QGZVFWFLSA-N	1	1	355.482	2.010	20	30		FEEDMO
Cc1cc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc(N2CCCC2)[nH+]1	ZINC000290199589	552441601	/nfs/dbraw/zinc/44/16/01/552441601.db2.gz	TVRBGYCFMYZRNW-UHFFFAOYSA-N	1	1	374.441	2.480	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NCc1cnc(N2CC[NH+](C)CC2)nc1	ZINC000501004307	561587534	/nfs/dbraw/zinc/58/75/34/561587534.db2.gz	OXMCMJGGNRHRBU-UHFFFAOYSA-N	1	1	366.469	2.499	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F	ZINC000290763249	552534099	/nfs/dbraw/zinc/53/40/99/552534099.db2.gz	KMLMKPUREOUEJU-KBXCAEBGSA-N	1	1	370.428	2.111	20	30		FEEDMO
COc1ccc([C@H](O)C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1	ZINC000291773005	552660195	/nfs/dbraw/zinc/66/01/95/552660195.db2.gz	LUFIHSLTXFVKLB-LEWJYISDSA-N	1	1	373.497	2.495	20	30		FEEDMO
Cc1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292120136	552695759	/nfs/dbraw/zinc/69/57/59/552695759.db2.gz	HYMFROAUDQCIIK-HKUYNNGSSA-N	1	1	353.422	2.155	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H]3CN(c4ccccc4)C(=O)O3)C2)nc1	ZINC000292156197	552699099	/nfs/dbraw/zinc/69/90/99/552699099.db2.gz	KNTHFQMIPCJQBO-QZTJIDSGSA-N	1	1	364.405	2.432	20	30		FEEDMO
C[C@@H](NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000292168981	552700782	/nfs/dbraw/zinc/70/07/82/552700782.db2.gz	LSBQCWMUEYRYMO-QAPCUYQASA-N	1	1	350.422	2.284	20	30		FEEDMO
C[C@@H](NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000292168981	552700784	/nfs/dbraw/zinc/70/07/84/552700784.db2.gz	LSBQCWMUEYRYMO-QAPCUYQASA-N	1	1	350.422	2.284	20	30		FEEDMO
Cc1sc(NC(=O)C[NH2+][C@H](C(N)=O)[C@@H](C)c2ccccc2)c(C#N)c1C	ZINC000292191575	552703077	/nfs/dbraw/zinc/70/30/77/552703077.db2.gz	NDIHEMNYKXNMFO-SJCJKPOMSA-N	1	1	370.478	2.422	20	30		FEEDMO
C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292387009	552721924	/nfs/dbraw/zinc/72/19/24/552721924.db2.gz	ZMGVTFIOVCKLOA-RHSMWYFYSA-N	1	1	368.412	2.250	20	30		FEEDMO
C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292387009	552721926	/nfs/dbraw/zinc/72/19/26/552721926.db2.gz	ZMGVTFIOVCKLOA-RHSMWYFYSA-N	1	1	368.412	2.250	20	30		FEEDMO
C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)C1	ZINC000292715817	552752033	/nfs/dbraw/zinc/75/20/33/552752033.db2.gz	FKZZUCHAIMGDNO-INIZCTEOSA-N	1	1	353.875	2.318	20	30		FEEDMO
Cc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1-n1cncn1	ZINC000292781225	552758006	/nfs/dbraw/zinc/75/80/06/552758006.db2.gz	LKRLZTAJTXEQEW-SFHVURJKSA-N	1	1	360.421	2.496	20	30		FEEDMO
N#Cc1ccsc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000293047499	552783779	/nfs/dbraw/zinc/78/37/79/552783779.db2.gz	NUOCCJWBBPPNAT-MRXNPFEDSA-N	1	1	368.462	2.339	20	30		FEEDMO
CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2sccc2C#N)c1	ZINC000293280641	552806530	/nfs/dbraw/zinc/80/65/30/552806530.db2.gz	FKEDENADRQDCRY-UHFFFAOYSA-N	1	1	356.451	2.326	20	30		FEEDMO
CC[N@H+](Cc1cc(C#N)n(C)c1)C[C@@H](O)COc1ccc(CCOC)cc1	ZINC000293722316	552850387	/nfs/dbraw/zinc/85/03/87/552850387.db2.gz	UBKPYSCXCZUWKP-HXUWFJFHSA-N	1	1	371.481	2.347	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C	ZINC000293903559	552866446	/nfs/dbraw/zinc/86/64/46/552866446.db2.gz	FMKQPXRFURJKFA-UHFFFAOYSA-N	1	1	369.469	2.048	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(CNC(=O)c2cccs2)cc1	ZINC000293987813	552873105	/nfs/dbraw/zinc/87/31/05/552873105.db2.gz	NLWVDOTZANAQPJ-UHFFFAOYSA-N	1	1	369.490	2.363	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1	ZINC000295085563	552957605	/nfs/dbraw/zinc/95/76/05/552957605.db2.gz	BLIIJTAIKSLZSH-GDBMZVCRSA-N	1	1	356.470	2.499	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000295156264	552964548	/nfs/dbraw/zinc/96/45/48/552964548.db2.gz	DSWNWEDVVYUTIA-UHFFFAOYSA-N	1	1	350.419	2.102	20	30		FEEDMO
COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc(C#N)ccc2Br)C1	ZINC000295221976	552970910	/nfs/dbraw/zinc/97/09/10/552970910.db2.gz	VUKRKGPWVNPYTB-INIZCTEOSA-N	1	1	367.243	2.332	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@H+](C2CC2)C1	ZINC000295260505	552977842	/nfs/dbraw/zinc/97/78/42/552977842.db2.gz	FZBCHMLQSKTCJN-RDJZCZTQSA-N	1	1	370.472	2.466	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1	ZINC000296169131	553115965	/nfs/dbraw/zinc/11/59/65/553115965.db2.gz	NLBXZNMQKCTNAM-UYAOXDASSA-N	1	1	356.466	2.383	20	30		FEEDMO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC[N@@H+]1CCc2ccccc2C1	ZINC000502664657	561623022	/nfs/dbraw/zinc/62/30/22/561623022.db2.gz	RDCHZCCDJVTTTC-NRFANRHFSA-N	1	1	371.481	2.423	20	30		FEEDMO
CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC[N@H+]1CCc2ccccc2C1	ZINC000502664657	561623023	/nfs/dbraw/zinc/62/30/23/561623023.db2.gz	RDCHZCCDJVTTTC-NRFANRHFSA-N	1	1	371.481	2.423	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1	ZINC000296804095	553214052	/nfs/dbraw/zinc/21/40/52/553214052.db2.gz	IGUZJFCHTCVLBC-UHFFFAOYSA-N	1	1	374.460	2.141	20	30		FEEDMO
Cc1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cn2cc[nH+]c12	ZINC000296860423	553221818	/nfs/dbraw/zinc/22/18/18/553221818.db2.gz	KZMSKZORNOXXNC-UHFFFAOYSA-N	1	1	361.409	2.264	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21	ZINC000297484319	553298405	/nfs/dbraw/zinc/29/84/05/553298405.db2.gz	MUUIWYAKUJCMPE-AQNXPRMDSA-N	1	1	355.482	2.156	20	30		FEEDMO
CC#CCN(C)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000297538336	553305991	/nfs/dbraw/zinc/30/59/91/553305991.db2.gz	DVTXPNPWPBFVMP-UHFFFAOYSA-N	1	1	373.497	2.341	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1	ZINC000298200723	553397447	/nfs/dbraw/zinc/39/74/47/553397447.db2.gz	GERDQXCXWFSRPL-IBGZPJMESA-N	1	1	370.497	2.097	20	30		FEEDMO
Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)nn1-c1cccc(C#N)c1	ZINC000503419856	561640864	/nfs/dbraw/zinc/64/08/64/561640864.db2.gz	HTFWEHNPIQLDTF-LIRRHRJNSA-N	1	1	351.454	2.465	20	30		FEEDMO
COCC[N@@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000298296261	553409536	/nfs/dbraw/zinc/40/95/36/553409536.db2.gz	XXQDUVPPOAVWAU-ZDUSSCGKSA-N	1	1	365.499	2.014	20	30		FEEDMO
CC[N@@H+](CCOCCO)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000503433703	561641325	/nfs/dbraw/zinc/64/13/25/561641325.db2.gz	CJPCHFUJIKRHQT-UHFFFAOYSA-N	1	1	365.499	2.158	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000298313104	553411431	/nfs/dbraw/zinc/41/14/31/553411431.db2.gz	PACSMSYCWPAUEM-LJQANCHMSA-N	1	1	357.498	2.392	20	30		FEEDMO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1	ZINC000298980940	553498699	/nfs/dbraw/zinc/49/86/99/553498699.db2.gz	MFTAXPGXNNZIPK-ROUUACIJSA-N	1	1	370.453	2.051	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000299071411	553511455	/nfs/dbraw/zinc/51/14/55/553511455.db2.gz	CEFHFSPTQSCPAM-WBVHZDCISA-N	1	1	370.453	2.027	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H](C)C1	ZINC000503898821	561649698	/nfs/dbraw/zinc/64/96/98/561649698.db2.gz	BWUITSJPXGMWAL-SJORKVTESA-N	1	1	350.507	2.459	20	30		FEEDMO
COc1nc(N2CC[NH+]([C@H](C)CCC#N)CC2)ncc1Br	ZINC000299193801	553528303	/nfs/dbraw/zinc/52/83/03/553528303.db2.gz	DOXXYPYVBDIEGC-LLVKDONJSA-N	1	1	354.252	2.062	20	30		FEEDMO
N#Cc1cccc(NC(=O)C2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)c1	ZINC000299642297	553594877	/nfs/dbraw/zinc/59/48/77/553594877.db2.gz	NOTFRGJOJPKJDL-LJQANCHMSA-N	1	1	362.433	2.435	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)nc1	ZINC000302793477	553733055	/nfs/dbraw/zinc/73/30/55/553733055.db2.gz	NGXVUHPIHBCNQC-MRXNPFEDSA-N	1	1	366.440	2.467	20	30		FEEDMO
CCCC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCS(=O)(=O)C1	ZINC000302813920	553734443	/nfs/dbraw/zinc/73/44/43/553734443.db2.gz	LUCARZALRNQMEC-CQSZACIVSA-N	1	1	369.512	2.238	20	30		FEEDMO
C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000326684135	553782752	/nfs/dbraw/zinc/78/27/52/553782752.db2.gz	IGDIEFURGZFPLI-RDJZCZTQSA-N	1	1	350.484	2.347	20	30		FEEDMO
C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000326684135	553782753	/nfs/dbraw/zinc/78/27/53/553782753.db2.gz	IGDIEFURGZFPLI-RDJZCZTQSA-N	1	1	350.484	2.347	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1	ZINC000328354254	553794122	/nfs/dbraw/zinc/79/41/22/553794122.db2.gz	SVDYKDUNDSBDGJ-GUDVDZBRSA-N	1	1	362.495	2.347	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1	ZINC000328354254	553794125	/nfs/dbraw/zinc/79/41/25/553794125.db2.gz	SVDYKDUNDSBDGJ-GUDVDZBRSA-N	1	1	362.495	2.347	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1	ZINC000328473154	553794295	/nfs/dbraw/zinc/79/42/95/553794295.db2.gz	DSWYAOJZHBNVJD-GUDVDZBRSA-N	1	1	362.495	2.347	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](Oc3ccccc3Cl)C2)C1	ZINC000328650877	553802497	/nfs/dbraw/zinc/80/24/97/553802497.db2.gz	BFLGLXRGMGADDO-GJZGRUSLSA-N	1	1	367.877	2.428	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCOC2(CCOCC2)C1	ZINC000328706585	553810257	/nfs/dbraw/zinc/81/02/57/553810257.db2.gz	LNJVIWCEZNXPQZ-IAGOWNOFSA-N	1	1	353.507	2.339	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000328727279	553813180	/nfs/dbraw/zinc/81/31/80/553813180.db2.gz	VBHPTBNQHXZQPE-ZWKOTPCHSA-N	1	1	364.534	2.355	20	30		FEEDMO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O	ZINC000328752695	553816486	/nfs/dbraw/zinc/81/64/86/553816486.db2.gz	RYTSJBZYEPRKTK-SSGTUYFUSA-N	1	1	365.518	2.214	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(C(=O)NC3CCC(F)(F)CC3)CC2)cn1	ZINC000328931421	553847177	/nfs/dbraw/zinc/84/71/77/553847177.db2.gz	ZOZNNMGAYOOECP-UHFFFAOYSA-N	1	1	355.433	2.420	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)NC3CCC(F)(F)CC3)CC2)cn1	ZINC000328931421	553847178	/nfs/dbraw/zinc/84/71/78/553847178.db2.gz	ZOZNNMGAYOOECP-UHFFFAOYSA-N	1	1	355.433	2.420	20	30		FEEDMO
C[C@H](CNC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O)C[NH+]1CCOCC1	ZINC000328977993	553857305	/nfs/dbraw/zinc/85/73/05/553857305.db2.gz	DNAHSGYVAZIZTN-RMJJICAUSA-N	1	1	367.534	2.274	20	30		FEEDMO
C[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)CC1CCOCC1	ZINC000328976517	553857396	/nfs/dbraw/zinc/85/73/96/553857396.db2.gz	DBDLQKDEOZULHR-UHFFFAOYSA-N	1	1	363.414	2.318	20	30		FEEDMO
O=C(C[N@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)NC[C@H]1CCCO1	ZINC000329046408	553870760	/nfs/dbraw/zinc/87/07/60/553870760.db2.gz	JPERJBFHHOSNMU-AEFFLSMTSA-N	1	1	352.862	2.455	20	30		FEEDMO
O=C(C[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1)NC[C@H]1CCCO1	ZINC000329046408	553870762	/nfs/dbraw/zinc/87/07/62/553870762.db2.gz	JPERJBFHHOSNMU-AEFFLSMTSA-N	1	1	352.862	2.455	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1	ZINC000329091385	553879212	/nfs/dbraw/zinc/87/92/12/553879212.db2.gz	ADSUOCQJUBFXBA-HZPDHXFCSA-N	1	1	350.507	2.156	20	30		FEEDMO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)N[C@H](C)C[N@H+]3CCC[C@@H](C)C3)CC[C@@H]21	ZINC000329148746	553889859	/nfs/dbraw/zinc/88/98/59/553889859.db2.gz	YMYDOFREKVKKRV-VQHPVUNQSA-N	1	1	365.522	2.102	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1C	ZINC000329219167	553905002	/nfs/dbraw/zinc/90/50/02/553905002.db2.gz	SHCQFLFVRGGMSW-DAYGRLMNSA-N	1	1	361.490	2.079	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)O1	ZINC000329220436	553905296	/nfs/dbraw/zinc/90/52/96/553905296.db2.gz	BJDBUVCYXXTKSG-QFBILLFUSA-N	1	1	361.486	2.432	20	30		FEEDMO
CC[C@@H]1C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC(=O)N1	ZINC000329222670	553905345	/nfs/dbraw/zinc/90/53/45/553905345.db2.gz	WUJXNYFHZORDPA-BLNMRFBMSA-N	1	1	364.490	2.172	20	30		FEEDMO
C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ncccc1F	ZINC000329222835	553905922	/nfs/dbraw/zinc/90/59/22/553905922.db2.gz	XAJAEBLUFAHKLD-FFHGMXDLSA-N	1	1	362.449	2.364	20	30		FEEDMO
CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)C1	ZINC000329261866	553913057	/nfs/dbraw/zinc/91/30/57/553913057.db2.gz	BBGWOKMEHROVRU-MSOLQXFVSA-N	1	1	369.469	2.251	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)CCC(=O)N1C	ZINC000329324619	553925203	/nfs/dbraw/zinc/92/52/03/553925203.db2.gz	VQYXCLRRRFMAOA-QMTMVMCOSA-N	1	1	361.490	2.303	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)N1CCOCC2(CCC2)C1)[NH+]1CCOCC1	ZINC000329438936	553947495	/nfs/dbraw/zinc/94/74/95/553947495.db2.gz	ASQHTPPZHCYXFN-QGZVFWFLSA-N	1	1	353.507	2.150	20	30		FEEDMO
C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CC[N@H+]1C	ZINC000329442652	553947983	/nfs/dbraw/zinc/94/79/83/553947983.db2.gz	AQHDYVZBRYSJOI-XHSDSOJGSA-N	1	1	371.489	2.028	20	30		FEEDMO
CC(C)C[C@@H]1C[C@H](NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CCO1	ZINC000329453191	553950248	/nfs/dbraw/zinc/95/02/48/553950248.db2.gz	NOPKJKJIFZXHNV-BSDSXHPESA-N	1	1	353.507	2.147	20	30		FEEDMO
Cn1ccnc1[C@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F	ZINC000329503052	553958884	/nfs/dbraw/zinc/95/88/84/553958884.db2.gz	YYQCZJXCPLUQIJ-WMLDXEAASA-N	1	1	357.433	2.343	20	30		FEEDMO
O=C(C[N@@H+]1CCOCC2(CCOCC2)C1)NC(=O)NC1CCCCC1	ZINC000329502792	553959091	/nfs/dbraw/zinc/95/90/91/553959091.db2.gz	GOFJYFIDBHZASS-UHFFFAOYSA-N	1	1	353.463	2.319	20	30		FEEDMO
O=C(C[N@H+]1CCOCC2(CCOCC2)C1)NC(=O)NC1CCCCC1	ZINC000329502792	553959092	/nfs/dbraw/zinc/95/90/92/553959092.db2.gz	GOFJYFIDBHZASS-UHFFFAOYSA-N	1	1	353.463	2.319	20	30		FEEDMO
Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)C2)nn1	ZINC000329578019	553970769	/nfs/dbraw/zinc/97/07/69/553970769.db2.gz	KLWAXJQBRSPIBC-MSOLQXFVSA-N	1	1	374.533	2.378	20	30		FEEDMO
C[NH+]1CCN(C(=O)CCNC(=O)N[C@H]2CCCCC23CCCC3)CC1	ZINC000329599355	553974605	/nfs/dbraw/zinc/97/46/05/553974605.db2.gz	DLOBIWXVQUAHOO-INIZCTEOSA-N	1	1	350.507	2.157	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329634364	553980364	/nfs/dbraw/zinc/98/03/64/553980364.db2.gz	XCDVHCYNLLUYIH-FGTMMUONSA-N	1	1	365.481	2.245	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329634364	553980367	/nfs/dbraw/zinc/98/03/67/553980367.db2.gz	XCDVHCYNLLUYIH-FGTMMUONSA-N	1	1	365.481	2.245	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCc2[nH]cnc2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329634364	553980371	/nfs/dbraw/zinc/98/03/71/553980371.db2.gz	XCDVHCYNLLUYIH-FGTMMUONSA-N	1	1	365.481	2.245	20	30		FEEDMO
CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1	ZINC000329636392	553980497	/nfs/dbraw/zinc/98/04/97/553980497.db2.gz	VCGIUNXQVALYKQ-WZYMTQMTSA-N	1	1	357.520	2.020	20	30		FEEDMO
O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCCN2c3ccccc3C[C@H]2C1	ZINC000329637209	553981025	/nfs/dbraw/zinc/98/10/25/553981025.db2.gz	YOEZWFIEBOECED-WMZOPIPTSA-N	1	1	365.481	2.497	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3CC[C@H](F)C3)CC2)CC1	ZINC000329703164	553992079	/nfs/dbraw/zinc/99/20/79/553992079.db2.gz	IOIQOTXONZFADK-DLBZAZTESA-N	1	1	368.497	2.057	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1)[NH+]1CCOCC1	ZINC000329740114	553997853	/nfs/dbraw/zinc/99/78/53/553997853.db2.gz	VFGDESWRGLHTCI-KSZLIROESA-N	1	1	365.518	2.291	20	30		FEEDMO
CC[C@H](CNC(=O)N1CCCN(CC)C(=O)C1)[N@H+]1CCc2ccccc2C1	ZINC000329829290	554014358	/nfs/dbraw/zinc/01/43/58/554014358.db2.gz	DPQPLEJOLSWYFL-LJQANCHMSA-N	1	1	372.513	2.292	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCO[C@@]3(CCOC3)C2)C1	ZINC000329865355	554021598	/nfs/dbraw/zinc/02/15/98/554021598.db2.gz	AEVLXJISLQDNDN-KPFFTGBYSA-N	1	1	359.470	2.227	20	30		FEEDMO
Cc1ccc(N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1C#N	ZINC000329877581	554023558	/nfs/dbraw/zinc/02/35/58/554023558.db2.gz	JMMHOBMLXLVZRE-CALCHBBNSA-N	1	1	358.486	2.356	20	30		FEEDMO
Cc1ccc(N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1C#N	ZINC000329877581	554023559	/nfs/dbraw/zinc/02/35/59/554023559.db2.gz	JMMHOBMLXLVZRE-CALCHBBNSA-N	1	1	358.486	2.356	20	30		FEEDMO
Cc1nc(C)c(C(=O)NC[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)o1	ZINC000329931137	554034204	/nfs/dbraw/zinc/03/42/04/554034204.db2.gz	BDIMMRRWPDHUCF-STQMWFEESA-N	1	1	362.409	2.069	20	30		FEEDMO
Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)[C@@H](C)C(=O)Nc2nccs2)o1	ZINC000329941892	554036106	/nfs/dbraw/zinc/03/61/06/554036106.db2.gz	GXPRWPWKICACBE-DLOVCJGASA-N	1	1	368.438	2.360	20	30		FEEDMO
Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@H+](C)[C@@H](C)C(=O)Nc2nccs2)o1	ZINC000329941892	554036113	/nfs/dbraw/zinc/03/61/13/554036113.db2.gz	GXPRWPWKICACBE-DLOVCJGASA-N	1	1	368.438	2.360	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1nnc2n1CCCCC2	ZINC000329941237	554036300	/nfs/dbraw/zinc/03/63/00/554036300.db2.gz	CAFNITTWAIJQSE-UHFFFAOYSA-N	1	1	368.445	2.045	20	30		FEEDMO
CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)C2CCC(=O)CC2)cc[nH+]1	ZINC000329985266	554044531	/nfs/dbraw/zinc/04/45/31/554044531.db2.gz	QZAKXNWNJUXZPX-KBPBESRZSA-N	1	1	363.437	2.175	20	30		FEEDMO
C[C@@H]1CN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)C[C@H]1[NH+]1CCOCC1	ZINC000330025037	554051343	/nfs/dbraw/zinc/05/13/43/554051343.db2.gz	ARGFQUGAHHBKIQ-FGTMMUONSA-N	1	1	365.518	2.435	20	30		FEEDMO
O=C(CN1CC[N@H+]2CCCC[C@H]2C1)NCc1cnn(-c2ccccc2)c1	ZINC000330165204	554076864	/nfs/dbraw/zinc/07/68/64/554076864.db2.gz	WSIKBUADVFHQEB-IBGZPJMESA-N	1	1	353.470	2.499	20	30		FEEDMO
O=C(N[C@H]1CCn2ccnc2C1)N1CCN(c2nc3ccccc3o2)CC1	ZINC000330192542	554081671	/nfs/dbraw/zinc/08/16/71/554081671.db2.gz	NUVVNJOZVRYGFH-AWEZNQCLSA-N	1	1	366.425	2.075	20	30		FEEDMO
[O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCN(c2nc3ccccc3o2)CC1	ZINC000330192542	554081674	/nfs/dbraw/zinc/08/16/74/554081674.db2.gz	NUVVNJOZVRYGFH-AWEZNQCLSA-N	1	1	366.425	2.075	20	30		FEEDMO
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1	ZINC000330214142	554086799	/nfs/dbraw/zinc/08/67/99/554086799.db2.gz	LMJDGYVBUBZGBA-KURKYZTESA-N	1	1	353.507	2.148	20	30		FEEDMO
COc1cccc([C@H](C)[NH+]2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1	ZINC000507716397	561738790	/nfs/dbraw/zinc/73/87/90/561738790.db2.gz	HALLHUOKBHXNEC-UWJYYQICSA-N	1	1	372.513	2.428	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C12CCC2	ZINC000330269632	554096674	/nfs/dbraw/zinc/09/66/74/554096674.db2.gz	SDMIDUKPBCNWJI-BPQIPLTHSA-N	1	1	365.518	2.433	20	30		FEEDMO
O=C(NC1CCN(c2cccnn2)CC1)[C@H]1CCC[N@H+]1C1CCOCC1	ZINC000330279574	554098525	/nfs/dbraw/zinc/09/85/25/554098525.db2.gz	RGRBLAJRLMCHGE-QGZVFWFLSA-N	1	1	359.474	2.045	20	30		FEEDMO
Cc1nsc(N2CCN(C(=O)CC[N@@H+]3CCCC[C@@H]3C)CC2)c1C#N	ZINC000330315479	554104204	/nfs/dbraw/zinc/10/42/04/554104204.db2.gz	PQUYFLNKLAEVKB-AWEZNQCLSA-N	1	1	361.515	2.236	20	30		FEEDMO
CC(C)(C)c1ccc(NC(=O)N2CC[NH+](CCO)CC2)cc1[N+](=O)[O-]	ZINC000330568757	554139891	/nfs/dbraw/zinc/13/98/91/554139891.db2.gz	MJRPTDQHCDZMII-UHFFFAOYSA-N	1	1	350.419	2.048	20	30		FEEDMO
CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000330663396	554153220	/nfs/dbraw/zinc/15/32/20/554153220.db2.gz	DZMYLBAIBJMADZ-NSHDSACASA-N	1	1	372.288	2.083	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000330663396	554153222	/nfs/dbraw/zinc/15/32/22/554153222.db2.gz	DZMYLBAIBJMADZ-NSHDSACASA-N	1	1	372.288	2.083	20	30		FEEDMO
COc1cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc(OC)c1OC	ZINC000330831704	554176841	/nfs/dbraw/zinc/17/68/41/554176841.db2.gz	HDTMGUVZHBOJSK-HNNXBMFYSA-N	1	1	365.474	2.398	20	30		FEEDMO
C=CCn1c(C2CC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000508717562	561770454	/nfs/dbraw/zinc/77/04/54/561770454.db2.gz	TYQSAPICLOPSGY-UHFFFAOYSA-N	1	1	358.534	2.336	20	30		FEEDMO
COC[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1ccc(F)cc1	ZINC000331223544	554232999	/nfs/dbraw/zinc/23/29/99/554232999.db2.gz	LTALWSYGJUFZTA-YOEHRIQHSA-N	1	1	367.465	2.204	20	30		FEEDMO
C=CCn1c(-c2ccc[nH]2)nnc1N1CC[N@@H+](CCOC)[C@@H](CCC)C1	ZINC000508746057	561771489	/nfs/dbraw/zinc/77/14/89/561771489.db2.gz	JEFUKACBMKUVEB-INIZCTEOSA-N	1	1	358.490	2.396	20	30		FEEDMO
C=CCn1c(COCC)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1	ZINC000508844955	561774979	/nfs/dbraw/zinc/77/49/79/561774979.db2.gz	LWOJEHJCBOHDGM-UHFFFAOYSA-N	1	1	359.449	2.462	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)c1C#N	ZINC000509049925	561782767	/nfs/dbraw/zinc/78/27/67/561782767.db2.gz	UIFUUWKAJUVZTL-KZULUSFZSA-N	1	1	370.428	2.356	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1C#N	ZINC000509049925	561782768	/nfs/dbraw/zinc/78/27/68/561782768.db2.gz	UIFUUWKAJUVZTL-KZULUSFZSA-N	1	1	370.428	2.356	20	30		FEEDMO
N#Cc1nccnc1NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000608830881	554323085	/nfs/dbraw/zinc/32/30/85/554323085.db2.gz	BOKOGZIEOYHPFF-UHFFFAOYSA-N	1	1	350.470	2.358	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000530960692	562430164	/nfs/dbraw/zinc/43/01/64/562430164.db2.gz	OZXCWZMSVDSXIB-NSHDSACASA-N	1	1	361.389	2.197	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(C)c(C(=O)OCC)c2)CC1	ZINC000509409309	561798190	/nfs/dbraw/zinc/79/81/90/561798190.db2.gz	XHPCIWMBJHDLIJ-UHFFFAOYSA-N	1	1	366.483	2.100	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)C1CC1	ZINC000333874575	554651293	/nfs/dbraw/zinc/65/12/93/554651293.db2.gz	QCXAXRPKPWMBNH-GDBMZVCRSA-N	1	1	373.419	2.476	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1)C1CC1	ZINC000333874575	554651295	/nfs/dbraw/zinc/65/12/95/554651295.db2.gz	QCXAXRPKPWMBNH-GDBMZVCRSA-N	1	1	373.419	2.476	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1)C1(C#N)CCCCC1	ZINC000334027739	554670250	/nfs/dbraw/zinc/67/02/50/554670250.db2.gz	IMVJLVYMTVUOOJ-QGZVFWFLSA-N	1	1	360.502	2.148	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)NCc2c[nH+]c(N(C)C)n2C)c1C#N	ZINC000511217192	561861729	/nfs/dbraw/zinc/86/17/29/561861729.db2.gz	OTJCREVSPYULMD-UHFFFAOYSA-N	1	1	370.482	2.282	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@@]4(CC[C@@H](C)C4)C3)CC2)o1	ZINC000360682889	554885132	/nfs/dbraw/zinc/88/51/32/554885132.db2.gz	WSJYFKPWUZVCGP-FOIQADDNSA-N	1	1	371.485	2.015	20	30		FEEDMO
C[N@H+]1CCCC12CCN(C(=O)c1ccc(-n3ncc(C#N)c3N)cc1)CC2	ZINC000361906531	554937567	/nfs/dbraw/zinc/93/75/67/554937567.db2.gz	IBBBZWQHZOOHAD-UHFFFAOYSA-N	1	1	364.453	2.027	20	30		FEEDMO
N#Cc1ccc(OC2CCN(C(=O)CCCC[NH+]3CCOCC3)CC2)cc1	ZINC000362959150	555002985	/nfs/dbraw/zinc/00/29/85/555002985.db2.gz	ZKDUTEQPPDPQFH-UHFFFAOYSA-N	1	1	371.481	2.431	20	30		FEEDMO
N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1	ZINC000363260106	555066336	/nfs/dbraw/zinc/06/63/36/555066336.db2.gz	STZLHQJOQBKDDM-BJJXKVORSA-N	1	1	365.886	2.316	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)CCCCC1	ZINC000363468473	555113446	/nfs/dbraw/zinc/11/34/46/555113446.db2.gz	RRUKZIMVJOLEEY-GOSISDBHSA-N	1	1	374.529	2.444	20	30		FEEDMO
C=CCN(C(=O)NCC(C)(C)C(=O)NC)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363808150	555190387	/nfs/dbraw/zinc/19/03/87/555190387.db2.gz	AJORQLHHOLERAB-SFHVURJKSA-N	1	1	372.513	2.231	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1	ZINC000363824575	555193934	/nfs/dbraw/zinc/19/39/34/555193934.db2.gz	QXFCECUQZWHMHB-QGZVFWFLSA-N	1	1	374.448	2.494	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)c1	ZINC000363824575	555193935	/nfs/dbraw/zinc/19/39/35/555193935.db2.gz	QXFCECUQZWHMHB-QGZVFWFLSA-N	1	1	374.448	2.494	20	30		FEEDMO
COC(=O)c1cn([C@H]2CCC[N@H+](CC#Cc3ccc(Cl)cc3)C2)nn1	ZINC000363995581	555229588	/nfs/dbraw/zinc/22/95/88/555229588.db2.gz	DHRJYYUWDVZUHD-INIZCTEOSA-N	1	1	358.829	2.407	20	30		FEEDMO
COC(=O)c1cn([C@H]2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)nn1	ZINC000363995581	555229589	/nfs/dbraw/zinc/22/95/89/555229589.db2.gz	DHRJYYUWDVZUHD-INIZCTEOSA-N	1	1	358.829	2.407	20	30		FEEDMO
C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000512199799	561895942	/nfs/dbraw/zinc/89/59/42/561895942.db2.gz	DMARUXBTEOPREK-QGZVFWFLSA-N	1	1	356.422	2.462	20	30		FEEDMO
C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000364424680	555311254	/nfs/dbraw/zinc/31/12/54/555311254.db2.gz	XOHMYCCSOYIKGQ-OAHLLOKOSA-N	1	1	361.417	2.024	20	30		FEEDMO
C#CCOc1cc(F)ccc1NC(=O)C1CC[NH+](Cc2nccn2C)CC1	ZINC000364608141	555351547	/nfs/dbraw/zinc/35/15/47/555351547.db2.gz	KUFSIKAQEXROBZ-UHFFFAOYSA-N	1	1	370.428	2.422	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000364688986	555375092	/nfs/dbraw/zinc/37/50/92/555375092.db2.gz	VKGJROAAAAMGAZ-UHFFFAOYSA-N	1	1	367.388	2.600	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CCCN(c4ccccc4C#N)C3)[C@H]2C1	ZINC000364990311	555458321	/nfs/dbraw/zinc/45/83/21/555458321.db2.gz	WLBRYUXFCPDENO-KPFFTGBYSA-N	1	1	367.497	2.263	20	30		FEEDMO
COC(=O)C[C@@](C)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(F)c1	ZINC000513127377	561926215	/nfs/dbraw/zinc/92/62/15/561926215.db2.gz	HGVYYAYKLYXDRL-RTBURBONSA-N	1	1	361.417	2.002	20	30		FEEDMO
C[NH+]1CCN([C@H](C(=O)NCC#Cc2cccc(F)c2)c2ccccc2)CC1	ZINC000513191214	561928540	/nfs/dbraw/zinc/92/85/40/561928540.db2.gz	GZIWGDQHZRCBNZ-NRFANRHFSA-N	1	1	365.452	2.282	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1	ZINC000365545799	555605042	/nfs/dbraw/zinc/60/50/42/555605042.db2.gz	KGCNJXGEEPVJAS-SNRMKQJTSA-N	1	1	368.481	2.151	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](C2)C[N@H+]2CCCC[C@@H]32)cc1Cl	ZINC000365548072	555605684	/nfs/dbraw/zinc/60/56/84/555605684.db2.gz	CNTZKBBYALWGHY-QRTARXTBSA-N	1	1	365.886	2.316	20	30		FEEDMO
Cc1cc(=NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)[nH]n1CCC#N	ZINC000365671509	555636998	/nfs/dbraw/zinc/63/69/98/555636998.db2.gz	FBQMDUFYULCNKO-UHFFFAOYSA-N	1	1	368.441	2.884	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)C2)n1	ZINC000365751288	555659417	/nfs/dbraw/zinc/65/94/17/555659417.db2.gz	JDYRDCGQVIXOKN-APWZRJJASA-N	1	1	369.513	2.326	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)C2)n1	ZINC000366039773	555734178	/nfs/dbraw/zinc/73/41/78/555734178.db2.gz	HIXBCTRIBOWFIS-LJHODMEESA-N	1	1	367.497	2.077	20	30		FEEDMO
Clc1ccc(C#CCN2CCN(CC[N@H+]3CCCOCC3)CC2)cc1	ZINC000366919460	555969746	/nfs/dbraw/zinc/96/97/46/555969746.db2.gz	YVJQLYLWEGTMBR-UHFFFAOYSA-N	1	1	361.917	2.031	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2	ZINC000367014636	555997237	/nfs/dbraw/zinc/99/72/37/555997237.db2.gz	GLGAHYCYCYNTDK-IBGZPJMESA-N	1	1	364.490	2.224	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1	ZINC000367431044	556046850	/nfs/dbraw/zinc/04/68/50/556046850.db2.gz	NDQSZJJTCFRYCI-HXUWFJFHSA-N	1	1	370.497	2.250	20	30		FEEDMO
C[C@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1c[nH]c(C#N)c1	ZINC000368014307	556195268	/nfs/dbraw/zinc/19/52/68/556195268.db2.gz	DMXCJVIAFCLCMB-BEFAXECRSA-N	1	1	352.438	2.248	20	30		FEEDMO
C[C@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1c[nH]c(C#N)c1	ZINC000368014307	556195271	/nfs/dbraw/zinc/19/52/71/556195271.db2.gz	DMXCJVIAFCLCMB-BEFAXECRSA-N	1	1	352.438	2.248	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CC(N)=O)C2)sc2c1CCCC2	ZINC000368575089	556349853	/nfs/dbraw/zinc/34/98/53/556349853.db2.gz	IFPQMJNDABDCPN-GFCCVEGCSA-N	1	1	360.483	2.024	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CCC(n2c[nH+]cc2C)CC1	ZINC000368790190	556413765	/nfs/dbraw/zinc/41/37/65/556413765.db2.gz	KKYAWGQOZVOBJN-UHFFFAOYSA-N	1	1	354.410	2.314	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)CCC#N)c1ccccc1	ZINC000368858595	556431047	/nfs/dbraw/zinc/43/10/47/556431047.db2.gz	HZRUHLUFJPHGCK-LJQANCHMSA-N	1	1	353.470	2.243	20	30		FEEDMO
C[C@]1(CNS(=O)(=O)c2ccc(C#N)o2)CCC[N@H+]1Cc1ccccc1	ZINC000515624367	562017388	/nfs/dbraw/zinc/01/73/88/562017388.db2.gz	DBSLWKMDBRLOTO-GOSISDBHSA-N	1	1	359.451	2.484	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)CCO1	ZINC000368960642	556460392	/nfs/dbraw/zinc/46/03/92/556460392.db2.gz	PGKFLRAYMTWUSV-HNNXBMFYSA-N	1	1	359.495	2.362	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](NC(=O)C2CCC2)C1	ZINC000369061466	556492844	/nfs/dbraw/zinc/49/28/44/556492844.db2.gz	DZESZHJNHRZGOW-WJWCEJSTSA-N	1	1	374.529	2.296	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1	ZINC000369061466	556492846	/nfs/dbraw/zinc/49/28/46/556492846.db2.gz	DZESZHJNHRZGOW-WJWCEJSTSA-N	1	1	374.529	2.296	20	30		FEEDMO
N#Cc1ccccc1OCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1	ZINC000369160726	556521782	/nfs/dbraw/zinc/52/17/82/556521782.db2.gz	KLNLJRNOJNXFRB-SFHVURJKSA-N	1	1	364.449	2.360	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1=O	ZINC000369204934	556535210	/nfs/dbraw/zinc/53/52/10/556535210.db2.gz	QGHBEHWNIHCTPU-INIZCTEOSA-N	1	1	363.502	2.496	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)n1	ZINC000369249225	556549316	/nfs/dbraw/zinc/54/93/16/556549316.db2.gz	HTNFUKSMIDEANP-QGZVFWFLSA-N	1	1	358.490	2.092	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)n1	ZINC000369249225	556549318	/nfs/dbraw/zinc/54/93/18/556549318.db2.gz	HTNFUKSMIDEANP-QGZVFWFLSA-N	1	1	358.490	2.092	20	30		FEEDMO
C[N@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1cccc(Cl)c1	ZINC000369403172	556592509	/nfs/dbraw/zinc/59/25/09/556592509.db2.gz	UNMNSGRFKPLFNM-HYVNUMGLSA-N	1	1	362.861	2.267	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)cc1	ZINC000369951914	556739942	/nfs/dbraw/zinc/73/99/42/556739942.db2.gz	MVYXSOHKALKRTG-UHFFFAOYSA-N	1	1	370.497	2.101	20	30		FEEDMO
C[C@@H](CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[N@@H+](C)Cc1ccccc1	ZINC000369986820	556749790	/nfs/dbraw/zinc/74/97/90/556749790.db2.gz	PVLVUTHTPGWPOG-PXNSSMCTSA-N	1	1	369.513	2.279	20	30		FEEDMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000370001280	556754199	/nfs/dbraw/zinc/75/41/99/556754199.db2.gz	ZTONEQLVWJELIP-DZGCQCFKSA-N	1	1	368.416	2.583	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1	ZINC000370109973	556783395	/nfs/dbraw/zinc/78/33/95/556783395.db2.gz	DKYZGEBQBLNICA-OXQOHEQNSA-N	1	1	371.485	2.138	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1	ZINC000370109973	556783396	/nfs/dbraw/zinc/78/33/96/556783396.db2.gz	DKYZGEBQBLNICA-OXQOHEQNSA-N	1	1	371.485	2.138	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1	ZINC000370295252	556832373	/nfs/dbraw/zinc/83/23/73/556832373.db2.gz	VMRQRHUPBDOLJG-YCPHGPKFSA-N	1	1	370.544	2.057	20	30		FEEDMO
C[C@H](NS(=O)(=O)c1ccc(C#N)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000370668172	556935314	/nfs/dbraw/zinc/93/53/14/556935314.db2.gz	UAVYQKYSVKFQPV-GOEBONIOSA-N	1	1	359.451	2.340	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@@H]1N1CCN(C)CC1	ZINC000370695704	556942661	/nfs/dbraw/zinc/94/26/61/556942661.db2.gz	CKRJLLVLAFXEOZ-KNQAVFIVSA-N	1	1	369.557	2.494	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@@H]1N1CCN(C)CC1	ZINC000370695704	556942665	/nfs/dbraw/zinc/94/26/65/556942665.db2.gz	CKRJLLVLAFXEOZ-KNQAVFIVSA-N	1	1	369.557	2.494	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000371335251	557150829	/nfs/dbraw/zinc/15/08/29/557150829.db2.gz	JXIVYJKKLGBKOU-HXUWFJFHSA-N	1	1	368.481	2.468	20	30		FEEDMO
C=CCOc1cccc(C[N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)c1	ZINC000371420510	557181643	/nfs/dbraw/zinc/18/16/43/557181643.db2.gz	YSYFJMXYEOZPTE-UHFFFAOYSA-N	1	1	366.465	2.458	20	30		FEEDMO
Cc1cc(N2CCC(N(C)C(=O)c3ccc(C#N)c(C)n3)CC2)nc(C)[nH+]1	ZINC000371503506	557202617	/nfs/dbraw/zinc/20/26/17/557202617.db2.gz	LQAKLWZAQVPRQB-UHFFFAOYSA-N	1	1	364.453	2.410	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000371765902	557287471	/nfs/dbraw/zinc/28/74/71/557287471.db2.gz	LXLQYCHQEHLKGF-CVEARBPZSA-N	1	1	358.442	2.332	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)Cn3cc[nH+]c3C)cc2C1=O	ZINC000518871487	562120055	/nfs/dbraw/zinc/12/00/55/562120055.db2.gz	SLFRQXCBINRNHD-CYBMUJFWSA-N	1	1	366.421	2.040	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@]2(C1)CCCN(C)C2=O	ZINC000372901544	557584963	/nfs/dbraw/zinc/58/49/63/557584963.db2.gz	GCVMCSDAZAALRY-DJJJIMSYSA-N	1	1	374.872	2.483	20	30		FEEDMO
Cc1cc(NC(=O)N2CCN(c3cnccc3C#N)CC2)cn2cc[nH+]c12	ZINC000519747132	562142172	/nfs/dbraw/zinc/14/21/72/562142172.db2.gz	OQAJMCRCXYOSBF-UHFFFAOYSA-N	1	1	361.409	2.264	20	30		FEEDMO
N#Cc1ccc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)cn1	ZINC000372990491	557605288	/nfs/dbraw/zinc/60/52/88/557605288.db2.gz	OJIHRPVFJJHDTD-GOSISDBHSA-N	1	1	352.463	2.301	20	30		FEEDMO
N#Cc1ccc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cn1	ZINC000372990491	557605291	/nfs/dbraw/zinc/60/52/91/557605291.db2.gz	OJIHRPVFJJHDTD-GOSISDBHSA-N	1	1	352.463	2.301	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1cc(C#N)ccc1F	ZINC000373270980	557662536	/nfs/dbraw/zinc/66/25/36/557662536.db2.gz	OLZRCGCFCKRTOU-CQSZACIVSA-N	1	1	360.433	2.092	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000373290526	557666407	/nfs/dbraw/zinc/66/64/07/557666407.db2.gz	ATLPWEFEJPTESM-MRXNPFEDSA-N	1	1	353.466	2.302	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1	ZINC000373474174	557700682	/nfs/dbraw/zinc/70/06/82/557700682.db2.gz	WXDKPEHIXUCFFJ-INIZCTEOSA-N	1	1	369.465	2.112	20	30		FEEDMO
Cn1cc([C@H]2[C@@H](CNC(=O)NCC3CCC(C#N)CC3)CCC[N@H+]2C)cn1	ZINC000374143361	557831084	/nfs/dbraw/zinc/83/10/84/557831084.db2.gz	MCFKPNQRZKXBGI-HTPOPCQBSA-N	1	1	372.517	2.432	20	30		FEEDMO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCC(=O)Nc1ccccc1C#N	ZINC000374431856	557883267	/nfs/dbraw/zinc/88/32/67/557883267.db2.gz	ZASBXFDSJYZPDE-BHIYHBOVSA-N	1	1	356.470	2.070	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccco2)C1	ZINC000374553097	557899156	/nfs/dbraw/zinc/89/91/56/557899156.db2.gz	VULMZVFPRLVEKH-IAGOWNOFSA-N	1	1	359.470	2.311	20	30		FEEDMO
Cc1cccc(OC2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)n1	ZINC000374681400	557916211	/nfs/dbraw/zinc/91/62/11/557916211.db2.gz	UVHWPVBFXIHXBL-UHFFFAOYSA-N	1	1	364.449	2.421	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c1	ZINC000374742642	557924049	/nfs/dbraw/zinc/92/40/49/557924049.db2.gz	KEYKMJRDOBKWQE-IBGZPJMESA-N	1	1	359.433	2.471	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000521186787	562171229	/nfs/dbraw/zinc/17/12/29/562171229.db2.gz	SSVCXOIQNDVBCJ-VQIMIIECSA-N	1	1	370.497	2.191	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1	ZINC000375011518	557963801	/nfs/dbraw/zinc/96/38/01/557963801.db2.gz	GPIKQVHBMOHXJY-ROUUACIJSA-N	1	1	362.495	2.471	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1	ZINC000375011518	557963802	/nfs/dbraw/zinc/96/38/02/557963802.db2.gz	GPIKQVHBMOHXJY-ROUUACIJSA-N	1	1	362.495	2.471	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@]4(C3)C(=O)Nc3ccccc34)C2=O)cc1	ZINC000375316567	558008072	/nfs/dbraw/zinc/00/80/72/558008072.db2.gz	ADXAAFIPVWNUPL-UGKGYDQZSA-N	1	1	372.428	2.259	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1	ZINC000375344466	558012712	/nfs/dbraw/zinc/01/27/12/558012712.db2.gz	FKDQSPBOPCAUSN-LJQANCHMSA-N	1	1	351.535	2.282	20	30		FEEDMO
C[C@@H](CO)[N@H+]1CCCN(Cc2cccn2Cc2ccccc2C#N)CC1	ZINC000375487938	558036146	/nfs/dbraw/zinc/03/61/46/558036146.db2.gz	YGJHDJPFNJDQBF-SFHVURJKSA-N	1	1	352.482	2.297	20	30		FEEDMO
C=CCN(C(=O)c1ccoc1CC(N)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375640007	558060870	/nfs/dbraw/zinc/06/08/70/558060870.db2.gz	FDNMZKNAJBPUIM-KRWDZBQOSA-N	1	1	367.449	2.210	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)n1	ZINC000375816498	558084246	/nfs/dbraw/zinc/08/42/46/558084246.db2.gz	RWFJPDKWUNZJJH-KRWDZBQOSA-N	1	1	352.442	2.260	20	30		FEEDMO
Cc1ncccc1O[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000375968323	558107146	/nfs/dbraw/zinc/10/71/46/558107146.db2.gz	LNPVYORKEPXRQR-GOSISDBHSA-N	1	1	350.422	2.031	20	30		FEEDMO
Cc1ncccc1O[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000375968323	558107149	/nfs/dbraw/zinc/10/71/49/558107149.db2.gz	LNPVYORKEPXRQR-GOSISDBHSA-N	1	1	350.422	2.031	20	30		FEEDMO
N#Cc1cc(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1F	ZINC000376068923	558122552	/nfs/dbraw/zinc/12/25/52/558122552.db2.gz	QKKYKJBCJAFVMK-MSOLQXFVSA-N	1	1	353.397	2.063	20	30		FEEDMO
C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)o1	ZINC000376381201	558165997	/nfs/dbraw/zinc/16/59/97/558165997.db2.gz	KFRHNUMDMUBJBK-OAHLLOKOSA-N	1	1	359.451	2.436	20	30		FEEDMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)o1	ZINC000376381201	558165999	/nfs/dbraw/zinc/16/59/99/558165999.db2.gz	KFRHNUMDMUBJBK-OAHLLOKOSA-N	1	1	359.451	2.436	20	30		FEEDMO
C[NH+]1CCN(C[C@H]2CCCN(C(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1	ZINC000376879205	558233281	/nfs/dbraw/zinc/23/32/81/558233281.db2.gz	BYGMUPVKPJMDLU-GOSISDBHSA-N	1	1	366.509	2.341	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)cc1	ZINC000376983392	558248091	/nfs/dbraw/zinc/24/80/91/558248091.db2.gz	SZKIBUPNSAQVTJ-MNOULKQQSA-N	1	1	353.422	2.462	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCCN1c1cccnn1	ZINC000377565432	558365922	/nfs/dbraw/zinc/36/59/22/558365922.db2.gz	KFUJRUMCAQDDNX-MAUKXSAKSA-N	1	1	364.453	2.276	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1	ZINC000377630869	558381352	/nfs/dbraw/zinc/38/13/52/558381352.db2.gz	UEQKHMKMFFUYSW-OAQYLSRUSA-N	1	1	369.557	2.496	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](CN3CCN(C)CC3)C2)cc1	ZINC000377630869	558381356	/nfs/dbraw/zinc/38/13/56/558381356.db2.gz	UEQKHMKMFFUYSW-OAQYLSRUSA-N	1	1	369.557	2.496	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](CN3CCN(C)CC3)C2)cc1	ZINC000377630869	558381358	/nfs/dbraw/zinc/38/13/58/558381358.db2.gz	UEQKHMKMFFUYSW-OAQYLSRUSA-N	1	1	369.557	2.496	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1	ZINC000377676382	558394152	/nfs/dbraw/zinc/39/41/52/558394152.db2.gz	QKCLYKNQSMFUND-FQEVSTJZSA-N	1	1	369.513	2.409	20	30		FEEDMO
COc1cc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1C#N	ZINC000377701147	558400623	/nfs/dbraw/zinc/40/06/23/558400623.db2.gz	SATWIZDBUMUENJ-YOFSQIOKSA-N	1	1	354.498	2.310	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)nc1	ZINC000377836874	558431929	/nfs/dbraw/zinc/43/19/29/558431929.db2.gz	GTOFJTVWDZKCMY-ZVDOUQERSA-N	1	1	360.461	2.184	20	30		FEEDMO
C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCNC(=O)C2N=CC=CC2=O)CC1	ZINC000378407804	558549782	/nfs/dbraw/zinc/54/97/82/558549782.db2.gz	XSSWCMQEMACURK-LPYRORPOSA-N	1	1	360.502	2.146	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCCC[C@@H]1Cn1ccnn1)c1ccccc1	ZINC000378623837	558596136	/nfs/dbraw/zinc/59/61/36/558596136.db2.gz	MCSDUMRZZXTWIO-GOSISDBHSA-N	1	1	352.442	2.079	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1Cn1ccnn1)c1ccccc1	ZINC000378623837	558596138	/nfs/dbraw/zinc/59/61/38/558596138.db2.gz	MCSDUMRZZXTWIO-GOSISDBHSA-N	1	1	352.442	2.079	20	30		FEEDMO
C=CCNC(=O)NC(=O)CN(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000524599480	562230971	/nfs/dbraw/zinc/23/09/71/562230971.db2.gz	KJJPNUWDVYHCGE-AEFFLSMTSA-N	1	1	358.486	2.156	20	30		FEEDMO
C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1	ZINC000409747430	558718290	/nfs/dbraw/zinc/71/82/90/558718290.db2.gz	MZVPQNLNRXQTTN-SOLBZPMBSA-N	1	1	366.469	2.222	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1=O	ZINC000410108728	558738910	/nfs/dbraw/zinc/73/89/10/558738910.db2.gz	XTWMWPMMKBYYLR-HKUYNNGSSA-N	1	1	373.472	2.283	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000410140036	558741223	/nfs/dbraw/zinc/74/12/23/558741223.db2.gz	OYFOOIPUUYCGED-IAGOWNOFSA-N	1	1	356.536	2.053	20	30		FEEDMO
N#CC1(CCC[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)CCOCC1	ZINC000410391543	558754630	/nfs/dbraw/zinc/75/46/30/558754630.db2.gz	MBTWUGITKASGEK-SFHVURJKSA-N	1	1	363.502	2.190	20	30		FEEDMO
CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC[N@@H+]1Cc1ccccc1	ZINC000410922080	558824327	/nfs/dbraw/zinc/82/43/27/558824327.db2.gz	BGVZEKAVIAFSII-HKUYNNGSSA-N	1	1	370.497	2.118	20	30		FEEDMO
CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC[N@H+]1Cc1ccccc1	ZINC000410922080	558824328	/nfs/dbraw/zinc/82/43/28/558824328.db2.gz	BGVZEKAVIAFSII-HKUYNNGSSA-N	1	1	370.497	2.118	20	30		FEEDMO
COC(=O)[C@@]1(C)CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000412067830	559009057	/nfs/dbraw/zinc/00/90/57/559009057.db2.gz	MGOKVSWRAUXYLP-PXNSSMCTSA-N	1	1	355.438	2.329	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](CO)[C@H]2C)cc1	ZINC000412095561	559012698	/nfs/dbraw/zinc/01/26/98/559012698.db2.gz	XXDTVEQRNMUUFQ-SJORKVTESA-N	1	1	359.470	2.425	20	30		FEEDMO
C[C@H]1[C@@H](CO)CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000412100078	559013479	/nfs/dbraw/zinc/01/34/79/559013479.db2.gz	XEOJJCXTJBIWEJ-GOEBONIOSA-N	1	1	368.399	2.266	20	30		FEEDMO
CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CCC([NH+]2CCNCC2)CC1	ZINC000415585438	559252858	/nfs/dbraw/zinc/25/28/58/559252858.db2.gz	XMKAHDAEVINIEJ-UHFFFAOYSA-N	1	1	372.517	2.453	20	30		FEEDMO
C[C@H](C#N)S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000416444073	559313209	/nfs/dbraw/zinc/31/32/09/559313209.db2.gz	XEIYBQXVRQTHDF-IXPVHAAZSA-N	1	1	359.854	2.303	20	30		FEEDMO
C[C@H](C#N)S(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000416444073	559313210	/nfs/dbraw/zinc/31/32/10/559313210.db2.gz	XEIYBQXVRQTHDF-IXPVHAAZSA-N	1	1	359.854	2.303	20	30		FEEDMO
C[N@@H+](CCN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O)Cc1ccccc1	ZINC000418871283	559420263	/nfs/dbraw/zinc/42/02/63/559420263.db2.gz	VFEFYVARQVLYLX-OAQYLSRUSA-N	1	1	362.433	2.457	20	30		FEEDMO
CC1(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](CO)O1	ZINC000421362489	559540177	/nfs/dbraw/zinc/54/01/77/559540177.db2.gz	NNUNLRZHYUEDJA-GOSISDBHSA-N	1	1	354.454	2.435	20	30		FEEDMO
CC1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](CO)O1	ZINC000421362489	559540178	/nfs/dbraw/zinc/54/01/78/559540178.db2.gz	NNUNLRZHYUEDJA-GOSISDBHSA-N	1	1	354.454	2.435	20	30		FEEDMO
COc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)N2CCCCC2)cc1	ZINC000424144375	559656095	/nfs/dbraw/zinc/65/60/95/559656095.db2.gz	XJRKGJSRVGYNOD-RBUKOAKNSA-N	1	1	358.486	2.360	20	30		FEEDMO
COc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCCC#N)N2CCCCC2)cc1	ZINC000424144373	559656119	/nfs/dbraw/zinc/65/61/19/559656119.db2.gz	XJRKGJSRVGYNOD-MOPGFXCFSA-N	1	1	358.486	2.360	20	30		FEEDMO
C=CCCn1cc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)nn1	ZINC000424648326	559672309	/nfs/dbraw/zinc/67/23/09/559672309.db2.gz	LXHHHYZBXUMIJU-HNNXBMFYSA-N	1	1	355.442	2.500	20	30		FEEDMO
C=CCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1	ZINC000424710872	559674409	/nfs/dbraw/zinc/67/44/09/559674409.db2.gz	VCEXROYOFJCZJY-WMZOPIPTSA-N	1	1	353.470	2.495	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)o1	ZINC000425212323	559691515	/nfs/dbraw/zinc/69/15/15/559691515.db2.gz	ZVKLHWINHXBXRZ-DOTOQJQBSA-N	1	1	357.435	2.046	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)o1	ZINC000425212323	559691516	/nfs/dbraw/zinc/69/15/16/559691516.db2.gz	ZVKLHWINHXBXRZ-DOTOQJQBSA-N	1	1	357.435	2.046	20	30		FEEDMO
CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1	ZINC000425541380	559708803	/nfs/dbraw/zinc/70/88/03/559708803.db2.gz	WUFVYFBDEHUJBH-CYBMUJFWSA-N	1	1	369.425	2.100	20	30		FEEDMO
CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1	ZINC000425541380	559708804	/nfs/dbraw/zinc/70/88/04/559708804.db2.gz	WUFVYFBDEHUJBH-CYBMUJFWSA-N	1	1	369.425	2.100	20	30		FEEDMO
CC[C@]1(O)CC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000425918219	559725188	/nfs/dbraw/zinc/72/51/88/559725188.db2.gz	LAEGLFUKADQGGQ-KRWDZBQOSA-N	1	1	354.372	2.020	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000425995180	559727127	/nfs/dbraw/zinc/72/71/27/559727127.db2.gz	TVVOZFJCHZORFE-SIKLNZKXSA-N	1	1	371.525	2.144	20	30		FEEDMO
N#Cc1c(F)cccc1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000427121499	559748430	/nfs/dbraw/zinc/74/84/30/559748430.db2.gz	JDLWKNBGKUEABJ-UHFFFAOYSA-N	1	1	367.428	2.034	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NCCC3CCCCC3)C2)nc1	ZINC000428791401	559783539	/nfs/dbraw/zinc/78/35/39/559783539.db2.gz	DEQFMKLQTOGSKY-GOSISDBHSA-N	1	1	356.470	2.493	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NCCC3CCCCC3)C2)nc1	ZINC000428791401	559783540	/nfs/dbraw/zinc/78/35/40/559783540.db2.gz	DEQFMKLQTOGSKY-GOSISDBHSA-N	1	1	356.470	2.493	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)[C@@H](C(N)=O)c1cccc(Br)c1	ZINC000429703864	559804296	/nfs/dbraw/zinc/80/42/96/559804296.db2.gz	TVSMASZUCRGWFD-OAHLLOKOSA-N	1	1	354.292	2.415	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000429926988	559808910	/nfs/dbraw/zinc/80/89/10/559808910.db2.gz	BAUUICDUVTYRTF-KBPBESRZSA-N	1	1	366.487	2.224	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1	ZINC000430280763	559817032	/nfs/dbraw/zinc/81/70/32/559817032.db2.gz	QMIJTXZTVOQOCK-IFXJQAMLSA-N	1	1	374.510	2.335	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1	ZINC000430280763	559817033	/nfs/dbraw/zinc/81/70/33/559817033.db2.gz	QMIJTXZTVOQOCK-IFXJQAMLSA-N	1	1	374.510	2.335	20	30		FEEDMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC1(CC#N)CC1	ZINC000431197714	559835729	/nfs/dbraw/zinc/83/57/29/559835729.db2.gz	QNPFOZFZISIVEJ-UHFFFAOYSA-N	1	1	355.486	2.144	20	30		FEEDMO
N#CCC1(CNC(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CC1	ZINC000431204827	559835842	/nfs/dbraw/zinc/83/58/42/559835842.db2.gz	VUUVLTLFGVUXER-UHFFFAOYSA-N	1	1	371.485	2.009	20	30		FEEDMO
COCC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCCSC1	ZINC000433193389	559873161	/nfs/dbraw/zinc/87/31/61/559873161.db2.gz	QCOYCDGUIQMXPC-IRXDYDNUSA-N	1	1	350.484	2.142	20	30		FEEDMO
COc1cccc(C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@H]2CCCO2)c1	ZINC000527385056	562287315	/nfs/dbraw/zinc/28/73/15/562287315.db2.gz	DWBPDLTUSQHLHI-GOSISDBHSA-N	1	1	357.454	2.239	20	30		FEEDMO
COc1cccc(C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@H]2CCCO2)c1	ZINC000527385056	562287316	/nfs/dbraw/zinc/28/73/16/562287316.db2.gz	DWBPDLTUSQHLHI-GOSISDBHSA-N	1	1	357.454	2.239	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000438944255	559985887	/nfs/dbraw/zinc/98/58/87/559985887.db2.gz	QKJIHRMGMOLPTP-OAHLLOKOSA-N	1	1	353.463	2.486	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440491300	560012210	/nfs/dbraw/zinc/01/22/10/560012210.db2.gz	GZFTXGAMUZQUJV-JXFKEZNVSA-N	1	1	367.534	2.195	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440491300	560012211	/nfs/dbraw/zinc/01/22/11/560012211.db2.gz	GZFTXGAMUZQUJV-JXFKEZNVSA-N	1	1	367.534	2.195	20	30		FEEDMO
C=CCN(C(=O)NC[C@@H]1CCC[N@H+]1C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000441326331	560028648	/nfs/dbraw/zinc/02/86/48/560028648.db2.gz	FADDOBQEZXORQS-YJBOKZPZSA-N	1	1	369.473	2.015	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)CC[N@H+]1C	ZINC000442126015	560044420	/nfs/dbraw/zinc/04/44/20/560044420.db2.gz	FZJIEERDIUESCK-ZIAGYGMSSA-N	1	1	360.483	2.230	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000442144982	560044893	/nfs/dbraw/zinc/04/48/93/560044893.db2.gz	YWDXKCHEMUHMTB-KFWWJZLASA-N	1	1	374.510	2.476	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNS(=O)(=O)c1ccc(Cl)cc1C#N	ZINC000443254611	560076352	/nfs/dbraw/zinc/07/63/52/560076352.db2.gz	VAOOPQAWIFDJQZ-UHFFFAOYSA-N	1	1	352.847	2.475	20	30		FEEDMO
CC1(C)CCC[N@@H+](CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000444616143	560116797	/nfs/dbraw/zinc/11/67/97/560116797.db2.gz	NFAAWRIOJYTSBB-UHFFFAOYSA-N	1	1	366.469	2.178	20	30		FEEDMO
CCC[C@]1(C(=O)OCC)CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000444777937	560120679	/nfs/dbraw/zinc/12/06/79/560120679.db2.gz	UGSUFKKEHHWQEE-YLJYHZDGSA-N	1	1	360.454	2.496	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(Nc2c(C#N)cnc3ccc(C(C)C)cc32)CC1	ZINC000447687124	560167277	/nfs/dbraw/zinc/16/72/77/560167277.db2.gz	SOHXQINCEGCLGZ-UHFFFAOYSA-N	1	1	365.481	2.274	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](Cc2cccc3c(OC)cccc23)CC1	ZINC000449010980	560211961	/nfs/dbraw/zinc/21/19/61/560211961.db2.gz	WWPIQRCJLLUXPV-UHFFFAOYSA-N	1	1	353.466	2.268	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@H+]1C	ZINC000449942635	560245906	/nfs/dbraw/zinc/24/59/06/560245906.db2.gz	UTYIZOJXAVCNBQ-SNPRPXQTSA-N	1	1	374.872	2.163	20	30		FEEDMO
CCOCC[N@@H+]1CCN(c2ncc(Br)cc2C#N)C[C@H]1C	ZINC000450310491	560257915	/nfs/dbraw/zinc/25/79/15/560257915.db2.gz	DSQIZNODJMIPEK-GFCCVEGCSA-N	1	1	353.264	2.263	20	30		FEEDMO
CCOCC[N@H+]1CCN(c2ncc(Br)cc2C#N)C[C@H]1C	ZINC000450310491	560257916	/nfs/dbraw/zinc/25/79/16/560257916.db2.gz	DSQIZNODJMIPEK-GFCCVEGCSA-N	1	1	353.264	2.263	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1	ZINC000450382323	560260709	/nfs/dbraw/zinc/26/07/09/560260709.db2.gz	WBVCJAZGMBTFTA-NWDGAFQWSA-N	1	1	366.259	2.251	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1	ZINC000451214737	560293580	/nfs/dbraw/zinc/29/35/80/560293580.db2.gz	XUJHOJMCNLSGMW-CVEARBPZSA-N	1	1	362.518	2.331	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)CC1	ZINC000451403892	560304644	/nfs/dbraw/zinc/30/46/44/560304644.db2.gz	FHNUPDRDKFOXQQ-PMPSAXMXSA-N	1	1	374.451	2.342	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C[C@H]2C)CC1	ZINC000451403892	560304645	/nfs/dbraw/zinc/30/46/45/560304645.db2.gz	FHNUPDRDKFOXQQ-PMPSAXMXSA-N	1	1	374.451	2.342	20	30		FEEDMO
N#CCc1ccc(S(=O)(=O)NC[C@@H]2CCc3[nH+]ccn3C2)c(Cl)c1	ZINC000451430189	560306581	/nfs/dbraw/zinc/30/65/81/560306581.db2.gz	MYZWBFODUBEPQH-ZDUSSCGKSA-N	1	1	364.858	2.143	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)n2C)[C@@H]1c1ccccc1	ZINC000451637113	560318404	/nfs/dbraw/zinc/31/84/04/560318404.db2.gz	VMINRKYBCYWLOC-OALUTQOASA-N	1	1	352.438	2.089	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)n2C)[C@@H]1c1ccccc1	ZINC000451637113	560318405	/nfs/dbraw/zinc/31/84/05/560318405.db2.gz	VMINRKYBCYWLOC-OALUTQOASA-N	1	1	352.438	2.089	20	30		FEEDMO
C[C@@](CO)([NH2+]CC(=O)NC1(C#N)CCC1)c1cc(Cl)cc(Cl)c1	ZINC000451907798	560336421	/nfs/dbraw/zinc/33/64/21/560336421.db2.gz	JREJHCDTNYXHBN-HNNXBMFYSA-N	1	1	356.253	2.353	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453598871	560390446	/nfs/dbraw/zinc/39/04/46/560390446.db2.gz	MNWNMAZBWRKPCU-INIZCTEOSA-N	1	1	356.470	2.319	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1	ZINC000453645988	560393069	/nfs/dbraw/zinc/39/30/69/560393069.db2.gz	AUVLBKKTUNMWNV-MRXNPFEDSA-N	1	1	364.449	2.442	20	30		FEEDMO
C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCC[N@H+]1C	ZINC000453698902	560397706	/nfs/dbraw/zinc/39/77/06/560397706.db2.gz	JRKUPMYIXWUQHO-CZUORRHYSA-N	1	1	372.469	2.273	20	30		FEEDMO
C[N@@H+](CCCCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C1CC1	ZINC000454093457	560428499	/nfs/dbraw/zinc/42/84/99/560428499.db2.gz	DLEOQSZIJRYIBH-UHFFFAOYSA-N	1	1	362.861	2.335	20	30		FEEDMO
C=C(C)CCNC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000454614079	560451423	/nfs/dbraw/zinc/45/14/23/560451423.db2.gz	IUEFFIOOJYMCHB-UHFFFAOYSA-N	1	1	360.458	2.171	20	30		FEEDMO
C=C(C)CCNC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000454914241	560463141	/nfs/dbraw/zinc/46/31/41/560463141.db2.gz	CTPBJVAASCGKAY-UHFFFAOYSA-N	1	1	358.486	2.481	20	30		FEEDMO
C=CC(C)(C)CNC(=O)N1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1	ZINC000455391345	560480510	/nfs/dbraw/zinc/48/05/10/560480510.db2.gz	XAJYHLBBYKRVKS-GOSISDBHSA-N	1	1	364.534	2.174	20	30		FEEDMO
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455760904	560494183	/nfs/dbraw/zinc/49/41/83/560494183.db2.gz	NPUONAHFCNFUMX-UHFFFAOYSA-N	1	1	351.838	2.181	20	30		FEEDMO
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455760904	560494184	/nfs/dbraw/zinc/49/41/84/560494184.db2.gz	NPUONAHFCNFUMX-UHFFFAOYSA-N	1	1	351.838	2.181	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@@H+]1CCO	ZINC000455769453	560494342	/nfs/dbraw/zinc/49/43/42/560494342.db2.gz	LNCNSRCJEDWXLE-CQSZACIVSA-N	1	1	360.458	2.266	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@H+]1CCO	ZINC000455769453	560494343	/nfs/dbraw/zinc/49/43/43/560494343.db2.gz	LNCNSRCJEDWXLE-CQSZACIVSA-N	1	1	360.458	2.266	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O	ZINC000456030249	560505051	/nfs/dbraw/zinc/50/50/51/560505051.db2.gz	RHHYTXIBAVUXTG-MRXNPFEDSA-N	1	1	357.498	2.431	20	30		FEEDMO
C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000456068885	560505940	/nfs/dbraw/zinc/50/59/40/560505940.db2.gz	PDWPUWDPANMRPS-KRWDZBQOSA-N	1	1	356.514	2.269	20	30		FEEDMO
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC[N@H+]1CCCOCC1	ZINC000458834054	560650899	/nfs/dbraw/zinc/65/08/99/560650899.db2.gz	BVPKRIMMSVNZLD-UHFFFAOYSA-N	1	1	363.506	2.274	20	30		FEEDMO
C=CCC1(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCC1	ZINC000459102851	560666937	/nfs/dbraw/zinc/66/69/37/560666937.db2.gz	MRONVWWNABMNPJ-UHFFFAOYSA-N	1	1	365.518	2.304	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000459821145	560710730	/nfs/dbraw/zinc/71/07/30/560710730.db2.gz	KKOJUODXGPCHAK-VQTJNVASSA-N	1	1	369.509	2.392	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[N@@H+](CC)CC1	ZINC000460936247	560756283	/nfs/dbraw/zinc/75/62/83/560756283.db2.gz	XFSODMRWDPUIRV-UHFFFAOYSA-N	1	1	362.522	2.305	20	30		FEEDMO
N#C[C@H]1CCC[C@H]1NC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000461957862	560789678	/nfs/dbraw/zinc/78/96/78/560789678.db2.gz	LLCJFWBOONDNTH-WOJBJXKFSA-N	1	1	369.513	2.186	20	30		FEEDMO
N#C[C@H]1CCC[C@@H]1NC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000461957860	560789710	/nfs/dbraw/zinc/78/97/10/560789710.db2.gz	LLCJFWBOONDNTH-UXHICEINSA-N	1	1	369.513	2.186	20	30		FEEDMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCC[C@H]1C#N	ZINC000461962816	560789890	/nfs/dbraw/zinc/78/98/90/560789890.db2.gz	XRMFWSTUAKBTOY-HKUYNNGSSA-N	1	1	355.486	2.142	20	30		FEEDMO
CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(C[NH+]2CCCC2)on1	ZINC000462473147	560811448	/nfs/dbraw/zinc/81/14/48/560811448.db2.gz	NILFXTJYVVXWTH-UHFFFAOYSA-N	1	1	368.437	2.431	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCc1cccc(Br)c1	ZINC000463417996	560813636	/nfs/dbraw/zinc/81/36/36/560813636.db2.gz	RDXXOCLRISUSJB-LBPRGKRZSA-N	1	1	368.275	2.324	20	30		FEEDMO
CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@@H]1CCOC1	ZINC000463442973	560815065	/nfs/dbraw/zinc/81/50/65/560815065.db2.gz	IMDIHPAFZCCIGW-MRXNPFEDSA-N	1	1	362.474	2.062	20	30		FEEDMO
CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@@H]1CCOC1	ZINC000463442973	560815066	/nfs/dbraw/zinc/81/50/66/560815066.db2.gz	IMDIHPAFZCCIGW-MRXNPFEDSA-N	1	1	362.474	2.062	20	30		FEEDMO
CCOCC[N@H+]1CCN(C(=O)NCCc2cccc(C#N)c2)C[C@H]1CC	ZINC000466822590	560896780	/nfs/dbraw/zinc/89/67/80/560896780.db2.gz	NARUJYCQDFPEBG-LJQANCHMSA-N	1	1	358.486	2.243	20	30		FEEDMO
C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)n1cnc(C#N)n1	ZINC000467011749	560901364	/nfs/dbraw/zinc/90/13/64/560901364.db2.gz	CEPRVVVGYKHPOT-CQSZACIVSA-N	1	1	372.860	2.099	20	30		FEEDMO
C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)n1cnc(C#N)n1	ZINC000467011749	560901365	/nfs/dbraw/zinc/90/13/65/560901365.db2.gz	CEPRVVVGYKHPOT-CQSZACIVSA-N	1	1	372.860	2.099	20	30		FEEDMO
C[N@H+](CC[C@H]1CCCO1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000467129643	560904085	/nfs/dbraw/zinc/90/40/85/560904085.db2.gz	PBTVPIPRSAMENL-QGZVFWFLSA-N	1	1	353.426	2.183	20	30		FEEDMO
C[N@@H+](CC[C@H]1CCCO1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000467129643	560904086	/nfs/dbraw/zinc/90/40/86/560904086.db2.gz	PBTVPIPRSAMENL-QGZVFWFLSA-N	1	1	353.426	2.183	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000468459038	560930365	/nfs/dbraw/zinc/93/03/65/560930365.db2.gz	NIOKRZNCWRFYJF-OAHLLOKOSA-N	1	1	362.861	2.387	20	30		FEEDMO
O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1	ZINC000469780336	560964566	/nfs/dbraw/zinc/96/45/66/560964566.db2.gz	NOQFBVUTVVAEQM-QMMMGPOBSA-N	1	1	372.256	2.201	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1	ZINC000470802740	560989846	/nfs/dbraw/zinc/98/98/46/560989846.db2.gz	BNXRHJXPKUNUFT-HOTGVXAUSA-N	1	1	366.506	2.188	20	30		FEEDMO
C=C(C)C[N@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccccc1	ZINC000470916580	560993976	/nfs/dbraw/zinc/99/39/76/560993976.db2.gz	JXBVXCFWXFMBQD-UHFFFAOYSA-N	1	1	368.437	2.127	20	30		FEEDMO
C=C(C)C[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccccc1	ZINC000470916580	560993977	/nfs/dbraw/zinc/99/39/77/560993977.db2.gz	JXBVXCFWXFMBQD-UHFFFAOYSA-N	1	1	368.437	2.127	20	30		FEEDMO
N#Cc1ccc([C@H](C(N)=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1	ZINC000471003900	560996236	/nfs/dbraw/zinc/99/62/36/560996236.db2.gz	GNAPJQYKSAMDHG-QHAWAJNXSA-N	1	1	360.461	2.148	20	30		FEEDMO
C[C@H](CN1CCOCC1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471013661	560996440	/nfs/dbraw/zinc/99/64/40/560996440.db2.gz	GEUDFVCUQGFCHD-VQIMIIECSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@H](C[NH+]1CCOCC1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471013661	560996441	/nfs/dbraw/zinc/99/64/41/560996441.db2.gz	GEUDFVCUQGFCHD-VQIMIIECSA-N	1	1	362.905	2.243	20	30		FEEDMO
CCOCC[C@H](O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471019820	560996503	/nfs/dbraw/zinc/99/65/03/560996503.db2.gz	RLHJWLHAACLILQ-ROUUACIJSA-N	1	1	351.878	2.310	20	30		FEEDMO
COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1	ZINC000476195208	561112865	/nfs/dbraw/zinc/11/28/65/561112865.db2.gz	BYKDKFUUOQBPIU-WMZOPIPTSA-N	1	1	357.454	2.170	20	30		FEEDMO
N#Cc1ccccc1N1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1	ZINC000528283717	562320543	/nfs/dbraw/zinc/32/05/43/562320543.db2.gz	CQEKKPUZAVHYDW-IBGZPJMESA-N	1	1	367.497	2.407	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@H]3CC[N@H+]3C3CCCC3)C2)nc1	ZINC000528294603	562321423	/nfs/dbraw/zinc/32/14/23/562321423.db2.gz	LLSBXIWRADXJOA-MSOLQXFVSA-N	1	1	369.469	2.133	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528366811	562325212	/nfs/dbraw/zinc/32/52/12/562325212.db2.gz	PSKBGDXCWCJYBE-YTQUADARSA-N	1	1	373.497	2.315	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](Nc2ccccc2)C1	ZINC000528417084	562327973	/nfs/dbraw/zinc/32/79/73/562327973.db2.gz	RUVIOPVZFKQUCI-SFHVURJKSA-N	1	1	359.429	2.472	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(C#N)(c2ccccn2)CC1	ZINC000528488478	562331785	/nfs/dbraw/zinc/33/17/85/562331785.db2.gz	CHUGQFPKICGZJT-GOSISDBHSA-N	1	1	362.433	2.250	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1	ZINC000528525150	562334042	/nfs/dbraw/zinc/33/40/42/562334042.db2.gz	MIGYJAWLYANDEA-FXAWDEMLSA-N	1	1	360.413	2.094	20	30		FEEDMO
C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cccnc1C#N	ZINC000528529177	562334124	/nfs/dbraw/zinc/33/41/24/562334124.db2.gz	GWVXGMOPCWXANE-QAPCUYQASA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cccnc1C#N	ZINC000528529177	562334125	/nfs/dbraw/zinc/33/41/25/562334125.db2.gz	GWVXGMOPCWXANE-QAPCUYQASA-N	1	1	370.478	2.142	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1	ZINC000529719712	562382464	/nfs/dbraw/zinc/38/24/64/562382464.db2.gz	OZHATUWEEWSBIH-KRWDZBQOSA-N	1	1	357.454	2.469	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1	ZINC000531786325	562456548	/nfs/dbraw/zinc/45/65/48/562456548.db2.gz	OKZUQYIAGDIJRG-HNNXBMFYSA-N	1	1	374.872	2.340	20	30		FEEDMO
COc1cc(C#N)cc(Cl)c1OC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000533708698	562516555	/nfs/dbraw/zinc/51/65/55/562516555.db2.gz	XBYIAQSEQSAOEI-YRGRVCCFSA-N	1	1	354.834	2.069	20	30		FEEDMO
N#Cc1cccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1	ZINC000535635237	562562983	/nfs/dbraw/zinc/56/29/83/562562983.db2.gz	KHWCWOHMRFZKBG-NHCUHLMSSA-N	1	1	363.461	2.100	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCN2CCCC2=O)c1	ZINC000535724560	562565502	/nfs/dbraw/zinc/56/55/02/562565502.db2.gz	XKNKZUOFOKJRQW-GOSISDBHSA-N	1	1	370.497	2.493	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCN2CCCC2=O)c1	ZINC000535724560	562565503	/nfs/dbraw/zinc/56/55/03/562565503.db2.gz	XKNKZUOFOKJRQW-GOSISDBHSA-N	1	1	370.497	2.493	20	30		FEEDMO
CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000535848692	562569579	/nfs/dbraw/zinc/56/95/79/562569579.db2.gz	ACIGBYUFAFEGJN-RBUKOAKNSA-N	1	1	357.502	2.296	20	30		FEEDMO
CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000535848694	562569612	/nfs/dbraw/zinc/56/96/12/562569612.db2.gz	ACIGBYUFAFEGJN-RTBURBONSA-N	1	1	357.502	2.296	20	30		FEEDMO
C=C(C)C[N@@H+](CC)CC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC	ZINC000536540527	562578384	/nfs/dbraw/zinc/57/83/84/562578384.db2.gz	GFJKBLASGYHVTP-UHFFFAOYSA-N	1	1	367.471	2.169	20	30		FEEDMO
C=C(C)C[N@H+](CC)CC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC	ZINC000536540527	562578385	/nfs/dbraw/zinc/57/83/85/562578385.db2.gz	GFJKBLASGYHVTP-UHFFFAOYSA-N	1	1	367.471	2.169	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000540962539	562598694	/nfs/dbraw/zinc/59/86/94/562598694.db2.gz	FBRPDYTVRIMQON-RVKKMQEKSA-N	1	1	354.454	2.043	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CC2(O)CCC2)c1C#N	ZINC000546092159	562633483	/nfs/dbraw/zinc/63/34/83/562633483.db2.gz	FQWYNACVFJQJCQ-UHFFFAOYSA-N	1	1	370.453	2.403	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCC(SC)CC1	ZINC000601854999	567861646	/nfs/dbraw/zinc/86/16/46/567861646.db2.gz	PEBRXVOOUAZCNG-ZBFHGGJFSA-N	1	1	363.531	2.332	20	30		FEEDMO
N#CC1(C[C@@H](O)C[NH+]2CC(OCCCOc3ccccc3)C2)CCOCC1	ZINC000601960334	567887013	/nfs/dbraw/zinc/88/70/13/567887013.db2.gz	VAJPLSCYQWQNEM-GOSISDBHSA-N	1	1	374.481	2.228	20	30		FEEDMO
COc1cc([C@@H](C#N)NC(=O)Cn2cc[nH+]c2C(C)C)cc(OC)c1OC	ZINC000602089925	567922438	/nfs/dbraw/zinc/92/24/38/567922438.db2.gz	ZHUBFJHBIIQFSO-CQSZACIVSA-N	1	1	372.425	2.413	20	30		FEEDMO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000602557805	567991403	/nfs/dbraw/zinc/99/14/03/567991403.db2.gz	JGANRLKZLFIOJJ-RXVVDRJESA-N	1	1	357.498	2.312	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc3ccccc3c2)C[C@H](C)N1CC#N	ZINC000602855367	568002273	/nfs/dbraw/zinc/00/22/73/568002273.db2.gz	HKLIKQDWMOXYAB-FUHIMQAGSA-N	1	1	353.466	2.498	20	30		FEEDMO
C[C@H](CC1(C#N)CCOCC1)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2	ZINC000602641288	568003177	/nfs/dbraw/zinc/00/31/77/568003177.db2.gz	YUHSDHGDUMVLHG-OAHLLOKOSA-N	1	1	356.470	2.041	20	30		FEEDMO
C[C@H](CC1(C#N)CCOCC1)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2	ZINC000602641288	568003178	/nfs/dbraw/zinc/00/31/78/568003178.db2.gz	YUHSDHGDUMVLHG-OAHLLOKOSA-N	1	1	356.470	2.041	20	30		FEEDMO
C[C@H](CCC#N)CNc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000602652420	568005557	/nfs/dbraw/zinc/00/55/57/568005557.db2.gz	ZFDQQAGANSDBLX-MRXNPFEDSA-N	1	1	364.515	2.365	20	30		FEEDMO
C[C@H](CCC#N)CNc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000602652420	568005558	/nfs/dbraw/zinc/00/55/58/568005558.db2.gz	ZFDQQAGANSDBLX-MRXNPFEDSA-N	1	1	364.515	2.365	20	30		FEEDMO
C=CCC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)OCC	ZINC000602683271	568010497	/nfs/dbraw/zinc/01/04/97/568010497.db2.gz	VCOFNCNMCVIXFX-INIZCTEOSA-N	1	1	362.430	2.446	20	30		FEEDMO
CO[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@](C)(CO)C1	ZINC000602963403	568023595	/nfs/dbraw/zinc/02/35/95/568023595.db2.gz	FNZUWDREWGADBR-YLJYHZDGSA-N	1	1	359.470	2.022	20	30		FEEDMO
CO[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@](C)(CO)C1	ZINC000602963403	568023596	/nfs/dbraw/zinc/02/35/96/568023596.db2.gz	FNZUWDREWGADBR-YLJYHZDGSA-N	1	1	359.470	2.022	20	30		FEEDMO
CCOc1cc(C#N)cc(Br)c1OCc1nc(C[NH3+])no1	ZINC000568510247	568051725	/nfs/dbraw/zinc/05/17/25/568051725.db2.gz	FXQWITVBQMRKFP-UHFFFAOYSA-N	1	1	353.176	2.140	20	30		FEEDMO
CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1ccc(C2(C#N)CC2)cc1	ZINC000603117828	568063669	/nfs/dbraw/zinc/06/36/69/568063669.db2.gz	PMTZBQWCMNBCKF-ZWKOTPCHSA-N	1	1	353.466	2.471	20	30		FEEDMO
C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C(=O)NC1(C#N)CCC1	ZINC000603142111	568067173	/nfs/dbraw/zinc/06/71/73/568067173.db2.gz	BTWGFCZDKREXTM-QEJZJMRPSA-N	1	1	369.387	2.061	20	30		FEEDMO
CC[NH+]1CCN(C(=O)[C@H](C)n2cc(CC3(C#N)CCCCC3)nn2)CC1	ZINC000603184840	568071337	/nfs/dbraw/zinc/07/13/37/568071337.db2.gz	XODNKYHBSOAYQQ-INIZCTEOSA-N	1	1	358.490	2.020	20	30		FEEDMO
Cc1nnc([C@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)[nH]1	ZINC000568841725	568232278	/nfs/dbraw/zinc/23/22/78/568232278.db2.gz	CNDOCZTVBBBBDM-LBPRGKRZSA-N	1	1	370.482	2.353	20	30		FEEDMO
Cc1n[nH]c([C@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1	ZINC000568841725	568232279	/nfs/dbraw/zinc/23/22/79/568232279.db2.gz	CNDOCZTVBBBBDM-LBPRGKRZSA-N	1	1	370.482	2.353	20	30		FEEDMO
Cc1n[nH]c([C@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1	ZINC000568841725	568232280	/nfs/dbraw/zinc/23/22/80/568232280.db2.gz	CNDOCZTVBBBBDM-LBPRGKRZSA-N	1	1	370.482	2.353	20	30		FEEDMO
Cc1nc([C@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n[nH]1	ZINC000568841725	568232281	/nfs/dbraw/zinc/23/22/81/568232281.db2.gz	CNDOCZTVBBBBDM-LBPRGKRZSA-N	1	1	370.482	2.353	20	30		FEEDMO
Cc1nc([C@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n[nH]1	ZINC000568841725	568232282	/nfs/dbraw/zinc/23/22/82/568232282.db2.gz	CNDOCZTVBBBBDM-LBPRGKRZSA-N	1	1	370.482	2.353	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1	ZINC000604521754	568308212	/nfs/dbraw/zinc/30/82/12/568308212.db2.gz	XPWPPPIPNRSYAC-CGTJXYLNSA-N	1	1	359.470	2.486	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@H](O)COc1cc(C#N)ccc1I	ZINC000569743566	568417995	/nfs/dbraw/zinc/41/79/95/568417995.db2.gz	ADQOYYNJIPRKEC-LBPRGKRZSA-N	1	1	374.222	2.243	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)[C@H]1c1ccccc1	ZINC000569994129	568447814	/nfs/dbraw/zinc/44/78/14/568447814.db2.gz	PMWJWIVHRNEUMT-QZTJIDSGSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)[C@H]1c1ccccc1	ZINC000569994129	568447815	/nfs/dbraw/zinc/44/78/15/568447815.db2.gz	PMWJWIVHRNEUMT-QZTJIDSGSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[C@@](CO)([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(O)c1	ZINC000570603787	568490288	/nfs/dbraw/zinc/49/02/88/568490288.db2.gz	IDCYJISJSQHQOP-SFHVURJKSA-N	1	1	359.813	2.353	20	30		FEEDMO
C=CCN(C)c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1Cc1ccccc1	ZINC000669198895	568565310	/nfs/dbraw/zinc/56/53/10/568565310.db2.gz	KOHMNSBKDHWMPY-MSOLQXFVSA-N	1	1	353.470	2.484	20	30		FEEDMO
C#CCC(CC#C)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000807089526	674404463	/nfs/dbraw/zinc/40/44/63/674404463.db2.gz	HEFMYACBTNRIFK-UHFFFAOYSA-N	1	1	357.885	2.241	20	30		FEEDMO
Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)nc(C)[nH+]1	ZINC000832890965	601305416	/nfs/dbraw/zinc/30/54/16/601305416.db2.gz	JBLVRXRXNFNLSB-IEBWSBKVSA-N	1	1	365.437	2.349	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=C1CC[C@@H](c2ccccc2)C1	ZINC000814727939	674876874	/nfs/dbraw/zinc/87/68/74/674876874.db2.gz	FQHJHOVXSYJISB-QGZVFWFLSA-N	1	1	360.527	2.497	20	30		FEEDMO
C#CCNC(=O)CC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1	ZINC000815010886	674895307	/nfs/dbraw/zinc/89/53/07/674895307.db2.gz	RJSGENRGLYHWKI-UHFFFAOYSA-N	1	1	352.381	2.401	20	30		FEEDMO
C#CCNC(=O)CC[N@H+](CCOC)Cc1cc(Br)cs1	ZINC000815102313	674918531	/nfs/dbraw/zinc/91/85/31/674918531.db2.gz	HKTAPYIUNRZNJV-UHFFFAOYSA-N	1	1	359.289	2.099	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1O	ZINC001047561773	674960722	/nfs/dbraw/zinc/96/07/22/674960722.db2.gz	UPFZPECAOBJBIO-VJANTYMQSA-N	1	1	350.503	2.051	20	30		FEEDMO
C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1	ZINC001047634919	674962271	/nfs/dbraw/zinc/96/22/71/674962271.db2.gz	OFXVOPMDRIYMDI-FSDCSDTHSA-N	1	1	350.409	2.148	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)COC	ZINC001048573747	675010894	/nfs/dbraw/zinc/01/08/94/675010894.db2.gz	FOFIQRFMKTVRPP-XEZGLNCPSA-N	1	1	350.503	2.362	20	30		FEEDMO
C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3OCC[C@H]3C(C)C)C[C@H]2C1	ZINC001048825623	675015704	/nfs/dbraw/zinc/01/57/04/675015704.db2.gz	BYTYUPIKJANTBW-FZKCQIBNSA-N	1	1	371.319	2.346	20	30		FEEDMO
C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3OCC[C@H]3C(C)C)C[C@H]2C1	ZINC001048825623	675015706	/nfs/dbraw/zinc/01/57/06/675015706.db2.gz	BYTYUPIKJANTBW-FZKCQIBNSA-N	1	1	371.319	2.346	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]2C1	ZINC001048826999	675015849	/nfs/dbraw/zinc/01/58/49/675015849.db2.gz	QUQPGGDQWNFHLS-TWMKSMIVSA-N	1	1	354.441	2.403	20	30		FEEDMO
NC(=[NH+]OCC(=O)Nc1ccc(Br)cc1F)C1CCOCC1	ZINC000112086698	670865684	/nfs/dbraw/zinc/86/56/84/670865684.db2.gz	BSCPMLLGSNHRNC-UHFFFAOYSA-N	1	1	374.210	2.242	20	30		FEEDMO
C[C@](CO)([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(O)c1	ZINC000577680505	671612970	/nfs/dbraw/zinc/61/29/70/671612970.db2.gz	FFQSYDFVPCUECM-GOSISDBHSA-N	1	1	359.813	2.353	20	30		FEEDMO
C[C@H]1SCC[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)[C@@H]1C	ZINC000118382242	671886175	/nfs/dbraw/zinc/88/61/75/671886175.db2.gz	ATRVZGTYVRGDJY-ZIAGYGMSSA-N	1	1	358.467	2.106	20	30		FEEDMO
C[C@H]1SCC[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)[C@@H]1C	ZINC000118382242	671886179	/nfs/dbraw/zinc/88/61/79/671886179.db2.gz	ATRVZGTYVRGDJY-ZIAGYGMSSA-N	1	1	358.467	2.106	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc(OC)cc2Br)CC1	ZINC000125199363	672008200	/nfs/dbraw/zinc/00/82/00/672008200.db2.gz	IKNXYRIWFDPXFB-UHFFFAOYSA-N	1	1	351.244	2.239	20	30		FEEDMO
N#Cc1cncc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1	ZINC000583662663	672115116	/nfs/dbraw/zinc/11/51/16/672115116.db2.gz	ORLOOSORGVCVAH-KRWDZBQOSA-N	1	1	362.499	2.276	20	30		FEEDMO
C#CCSCCNC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1	ZINC000154864922	672223053	/nfs/dbraw/zinc/22/30/53/672223053.db2.gz	OBSYBDNFEZWSRA-UHFFFAOYSA-N	1	1	361.511	2.279	20	30		FEEDMO
CC[C@@H](C)NC(=[NH2+])NCc1nc(-c2ccc(Br)cc2)n[nH]1	ZINC000171043036	672328739	/nfs/dbraw/zinc/32/87/39/672328739.db2.gz	JWOXDSVGZZXGJH-SECBINFHSA-N	1	1	351.252	2.437	20	30		FEEDMO
CC[C@@H](C)NC(=[NH2+])NCc1n[nH]c(-c2ccc(Br)cc2)n1	ZINC000171043036	672328742	/nfs/dbraw/zinc/32/87/42/672328742.db2.gz	JWOXDSVGZZXGJH-SECBINFHSA-N	1	1	351.252	2.437	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1C(F)(F)F	ZINC000611106939	676017968	/nfs/dbraw/zinc/01/79/68/676017968.db2.gz	DCBHHPQQJKZZEK-NSHDSACASA-N	1	1	359.373	2.092	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1C(F)(F)F	ZINC000611106939	676017969	/nfs/dbraw/zinc/01/79/69/676017969.db2.gz	DCBHHPQQJKZZEK-NSHDSACASA-N	1	1	359.373	2.092	20	30		FEEDMO
COC(=O)C[C@](C)([NH2+]CC(=O)Nc1sccc1C#N)c1ccncc1	ZINC000589165455	672510954	/nfs/dbraw/zinc/51/09/54/672510954.db2.gz	WZVSLGMYFVLLBE-KRWDZBQOSA-N	1	1	358.423	2.021	20	30		FEEDMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000611320351	676032058	/nfs/dbraw/zinc/03/20/58/676032058.db2.gz	HABZGKHUZSHOEM-QMTMVMCOSA-N	1	1	351.491	2.341	20	30		FEEDMO
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1CCC(=O)N(C)CCC#N	ZINC000187453629	672569319	/nfs/dbraw/zinc/56/93/19/672569319.db2.gz	KFLSACAALWVNAC-GASCZTMLSA-N	1	1	352.479	2.078	20	30		FEEDMO
CC(C)[C@H](C#N)N1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1	ZINC000611432049	676036908	/nfs/dbraw/zinc/03/69/08/676036908.db2.gz	JRIVJPMQBVEYSM-RDJZCZTQSA-N	1	1	351.878	2.245	20	30		FEEDMO
N#Cc1ccc(CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1Cl	ZINC000591357939	672676162	/nfs/dbraw/zinc/67/61/62/672676162.db2.gz	FQWIHLKXBQRDAV-QGZVFWFLSA-N	1	1	355.829	2.463	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](CCCC)[C@@H]1CCc2ncsc2C1	ZINC000592188381	672769415	/nfs/dbraw/zinc/76/94/15/672769415.db2.gz	OIWHOJLXCKWGCZ-CYBMUJFWSA-N	1	1	350.488	2.114	20	30		FEEDMO
CN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CCC[N@@H+](C)C1	ZINC000593070465	672871776	/nfs/dbraw/zinc/87/17/76/672871776.db2.gz	QJFKEVMYCYPFJZ-OAHLLOKOSA-N	1	1	350.260	2.416	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)[C@H](C)C1	ZINC000593699035	672980339	/nfs/dbraw/zinc/98/03/39/672980339.db2.gz	XEFPRCVAPHMWDF-GFCCVEGCSA-N	1	1	350.260	2.416	20	30		FEEDMO
O=C(NCC[NH+]1CCC2(CCCCC2)CC1)NC[C@H]1CCCS1(=O)=O	ZINC000328614800	673063997	/nfs/dbraw/zinc/06/39/97/673063997.db2.gz	RJIWAJQHAPYCTE-MRXNPFEDSA-N	1	1	371.547	2.114	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21	ZINC000594775466	673138154	/nfs/dbraw/zinc/13/81/54/673138154.db2.gz	AQNVPZCFFPRLAM-HIFRSBDPSA-N	1	1	361.492	2.406	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21	ZINC000594775466	673138158	/nfs/dbraw/zinc/13/81/58/673138158.db2.gz	AQNVPZCFFPRLAM-HIFRSBDPSA-N	1	1	361.492	2.406	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21	ZINC000594775467	673138165	/nfs/dbraw/zinc/13/81/65/673138165.db2.gz	AQNVPZCFFPRLAM-UKRRQHHQSA-N	1	1	361.492	2.406	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21	ZINC000594775467	673138166	/nfs/dbraw/zinc/13/81/66/673138166.db2.gz	AQNVPZCFFPRLAM-UKRRQHHQSA-N	1	1	361.492	2.406	20	30		FEEDMO
CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000594792378	673144311	/nfs/dbraw/zinc/14/43/11/673144311.db2.gz	QAPNCDVUHKLZML-NSHDSACASA-N	1	1	357.426	2.235	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000594792378	673144314	/nfs/dbraw/zinc/14/43/14/673144314.db2.gz	QAPNCDVUHKLZML-NSHDSACASA-N	1	1	357.426	2.235	20	30		FEEDMO
N#CCCNC(=O)C[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1	ZINC000727441706	673169370	/nfs/dbraw/zinc/16/93/70/673169370.db2.gz	NRJUFOFAUJZXPK-QGZVFWFLSA-N	1	1	360.845	2.118	20	30		FEEDMO
CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1	ZINC000595356916	673232029	/nfs/dbraw/zinc/23/20/29/673232029.db2.gz	VMRBLHXTHRNHSC-ZDUSSCGKSA-N	1	1	372.288	2.083	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@](C)(C(F)F)O1	ZINC000595922976	673340423	/nfs/dbraw/zinc/34/04/23/673340423.db2.gz	UGEGIOHYZMBCJP-XUWXXGDYSA-N	1	1	354.397	2.237	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@](C)(C(F)F)O1	ZINC000595922976	673340429	/nfs/dbraw/zinc/34/04/29/673340429.db2.gz	UGEGIOHYZMBCJP-XUWXXGDYSA-N	1	1	354.397	2.237	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(c3cc(Br)cnn3)CC2)cc1	ZINC000596052220	673354047	/nfs/dbraw/zinc/35/40/47/673354047.db2.gz	BCIYDMAJYCTUDO-UHFFFAOYSA-N	1	1	358.243	2.433	20	30		FEEDMO
C=CCCSCCNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000596721633	673407271	/nfs/dbraw/zinc/40/72/71/673407271.db2.gz	LVDVVUQYTGYQLS-LJQANCHMSA-N	1	1	363.527	2.232	20	30		FEEDMO
CCOCCC[N@H+]1CCC(=NNC(=S)NCC(F)(F)F)[C@H](C)C1	ZINC000735229698	673486913	/nfs/dbraw/zinc/48/69/13/673486913.db2.gz	OCDXCBWVKZUVTQ-LLVKDONJSA-N	1	1	354.442	2.137	20	30		FEEDMO
CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000735308544	673490093	/nfs/dbraw/zinc/49/00/93/673490093.db2.gz	IRCDODDKBDNEOZ-CYBMUJFWSA-N	1	1	371.890	2.004	20	30		FEEDMO
CS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000735308544	673490095	/nfs/dbraw/zinc/49/00/95/673490095.db2.gz	IRCDODDKBDNEOZ-CYBMUJFWSA-N	1	1	371.890	2.004	20	30		FEEDMO
Cc1[nH+]cc2n1C[C@H](C(=O)N1CCN(c3ccsc3C#N)CC1)CC2	ZINC000597938900	673521452	/nfs/dbraw/zinc/52/14/52/673521452.db2.gz	HXTGHWRHCKARIR-CQSZACIVSA-N	1	1	355.467	2.036	20	30		FEEDMO
C[C@H](C(=O)NC1(c2cccc(C#N)c2)CCOCC1)[NH+]1CCSCC1	ZINC000598249629	673552280	/nfs/dbraw/zinc/55/22/80/673552280.db2.gz	QTIXESAGTRDKFB-OAHLLOKOSA-N	1	1	359.495	2.117	20	30		FEEDMO
C=CC[C@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000599530123	673688493	/nfs/dbraw/zinc/68/84/93/673688493.db2.gz	UERLQVHDOPWLST-DLBZAZTESA-N	1	1	358.511	2.355	20	30		FEEDMO
Cn1cc(Cl)c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)n1	ZINC000599749047	673713263	/nfs/dbraw/zinc/71/32/63/673713263.db2.gz	FYXFYTXPKDOBEC-UHFFFAOYSA-N	1	1	357.845	2.362	20	30		FEEDMO
N#Cc1cc(Br)ccc1C(=O)N1CC[NH+](CCCF)CC1	ZINC000600077100	673738834	/nfs/dbraw/zinc/73/88/34/673738834.db2.gz	VDJZYJOQKFFBRD-UHFFFAOYSA-N	1	1	354.223	2.438	20	30		FEEDMO
CO[C@]1(C(F)(F)F)CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000614924986	676196810	/nfs/dbraw/zinc/19/68/10/676196810.db2.gz	QPFUFKJFVHIKKO-GDBMZVCRSA-N	1	1	358.360	2.341	20	30		FEEDMO
C[N@@H+](CCCNc1ccc(C#N)cc1CS(N)(=O)=O)C1CCCCC1	ZINC000603272431	673920456	/nfs/dbraw/zinc/92/04/56/673920456.db2.gz	MGIBZAVPXOPEPQ-UHFFFAOYSA-N	1	1	364.515	2.413	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cnc2ncc(Br)cc2c1	ZINC000818593414	675226919	/nfs/dbraw/zinc/22/69/19/675226919.db2.gz	YNZFYNDECFQHSN-UHFFFAOYSA-N	1	1	361.243	2.077	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000818599330	675227568	/nfs/dbraw/zinc/22/75/68/675227568.db2.gz	KCCVABDVBZXQDG-HOTGVXAUSA-N	1	1	351.491	2.093	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)CCC(=O)c1ccc(OC)cc1Cl	ZINC000818612253	675228447	/nfs/dbraw/zinc/22/84/47/675228447.db2.gz	QCMSDMKMCBAECB-UHFFFAOYSA-N	1	1	350.846	2.383	20	30		FEEDMO
C=CC[C@@H](CO)CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000567298662	675282325	/nfs/dbraw/zinc/28/23/25/675282325.db2.gz	KUFQYHZKGNQIIR-IAGOWNOFSA-N	1	1	352.425	2.445	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819342185	675283149	/nfs/dbraw/zinc/28/31/49/675283149.db2.gz	PCDNUTDCGTYPNG-CABCVRRESA-N	1	1	352.479	2.032	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)nn1	ZINC000819382589	675286973	/nfs/dbraw/zinc/28/69/73/675286973.db2.gz	OYKUHTDEHLSXAT-AWEZNQCLSA-N	1	1	355.211	2.189	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H]1C	ZINC000819429622	675289919	/nfs/dbraw/zinc/28/99/19/675289919.db2.gz	XGLWBVKOESOBSQ-CABCVRRESA-N	1	1	352.479	2.126	20	30		FEEDMO
C[NH+]1CCN(c2ncc(C=[NH+][N-]c3cc(Cl)nc(Cl)c3)cn2)CC1	ZINC000819831196	675316356	/nfs/dbraw/zinc/31/63/56/675316356.db2.gz	KCRBWFSJYZONKF-UHFFFAOYSA-N	1	1	366.256	2.376	20	30		FEEDMO
C#C[C@H](NC(=O)N1CC[NH+](CCOC)CC1)c1ccc(Cl)cc1F	ZINC000820732190	675383074	/nfs/dbraw/zinc/38/30/74/675383074.db2.gz	ZCVZPOUFBONGQN-INIZCTEOSA-N	1	1	353.825	2.127	20	30		FEEDMO
CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O	ZINC000822582941	675493113	/nfs/dbraw/zinc/49/31/13/675493113.db2.gz	IRAXALLOSSSCNA-KSSFIOAISA-N	1	1	352.479	2.030	20	30		FEEDMO
O=C(C#Cc1cccs1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000827919546	675787011	/nfs/dbraw/zinc/78/70/11/675787011.db2.gz	KTDDUQHJSLHZKB-PKOBYXMFSA-N	1	1	354.475	2.099	20	30		FEEDMO
COCC#CC[N@@H+](CCC(=O)OC)Cc1cccc(Br)c1	ZINC000616795023	676257295	/nfs/dbraw/zinc/25/72/95/676257295.db2.gz	MIGDMMCUSAABSS-UHFFFAOYSA-N	1	1	354.244	2.464	20	30		FEEDMO
C=CCOc1c(Cl)cc(CN2CC[N@@H+](CCO)C[C@H]2C)cc1OC	ZINC000628304352	676797491	/nfs/dbraw/zinc/79/74/91/676797491.db2.gz	RTCOPQNRHWFEKR-CQSZACIVSA-N	1	1	354.878	2.412	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C#Cc1cccs1	ZINC000830069084	677023705	/nfs/dbraw/zinc/02/37/05/677023705.db2.gz	IGZWCVQRZOEKMM-HXUWFJFHSA-N	1	1	354.475	2.195	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1	ZINC000830504572	677043683	/nfs/dbraw/zinc/04/36/83/677043683.db2.gz	VBKHURAWQZSWKZ-LSDHHAIUSA-N	1	1	365.499	2.424	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](OC(=O)N(C)C)C1	ZINC000830504572	677043684	/nfs/dbraw/zinc/04/36/84/677043684.db2.gz	VBKHURAWQZSWKZ-LSDHHAIUSA-N	1	1	365.499	2.424	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)C1=O	ZINC000639776676	677166249	/nfs/dbraw/zinc/16/62/49/677166249.db2.gz	ORMGKULMOIKTCP-HIFRSBDPSA-N	1	1	366.259	2.084	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)C1=O	ZINC000639776676	677166250	/nfs/dbraw/zinc/16/62/50/677166250.db2.gz	ORMGKULMOIKTCP-HIFRSBDPSA-N	1	1	366.259	2.084	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000761187926	680714213	/nfs/dbraw/zinc/71/42/13/680714213.db2.gz	OULSBOUVWAOBDI-QZTJIDSGSA-N	1	1	358.511	2.290	20	30		FEEDMO
C#CC[N@@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000761504937	680725180	/nfs/dbraw/zinc/72/51/80/680725180.db2.gz	BCYPXJFILBZAOD-GDBMZVCRSA-N	1	1	353.459	2.135	20	30		FEEDMO
C#CC[N@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000761504937	680725182	/nfs/dbraw/zinc/72/51/82/680725182.db2.gz	BCYPXJFILBZAOD-GDBMZVCRSA-N	1	1	353.459	2.135	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)C1=O	ZINC000839090423	680737310	/nfs/dbraw/zinc/73/73/10/680737310.db2.gz	JZJZMJWNXJOHCU-XHSDSOJGSA-N	1	1	351.491	2.256	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000839591517	680764391	/nfs/dbraw/zinc/76/43/91/680764391.db2.gz	JPMVTPKCPIFABZ-HOTGVXAUSA-N	1	1	351.491	2.352	20	30		FEEDMO
C=CC[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H](C)COC	ZINC000661241780	678457064	/nfs/dbraw/zinc/45/70/64/678457064.db2.gz	GHTIZRXNEGEPKF-GFCCVEGCSA-N	1	1	353.850	2.290	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000765942966	680860445	/nfs/dbraw/zinc/86/04/45/680860445.db2.gz	ULRPHHPPWTUGPI-OLZOCXBDSA-N	1	1	360.401	2.176	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)CC[N@H+]1C	ZINC001014475089	680038418	/nfs/dbraw/zinc/03/84/18/680038418.db2.gz	KQVYRQIRVUYVQH-AYOQOUSVSA-N	1	1	359.901	2.222	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@]3(NC(=O)[C@]45C[C@H]4COC5)CCC[C@H]23)s1	ZINC000990821208	680075138	/nfs/dbraw/zinc/07/51/38/680075138.db2.gz	XXXKKGVKIOGNGJ-ZAUBIYILSA-N	1	1	357.479	2.269	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(C(C)C)ns2)C1	ZINC001020726337	680113841	/nfs/dbraw/zinc/11/38/41/680113841.db2.gz	GCHYXRMZRBYMPD-YXWQFLTLSA-N	1	1	364.515	2.380	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CCc2ccns2)CC1(C)C	ZINC000977317991	680160158	/nfs/dbraw/zinc/16/01/58/680160158.db2.gz	PWODNIRCGRYKMB-ULQDDVLXSA-N	1	1	363.527	2.493	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+](C)C[C@@H](O)c1ccccc1Br	ZINC000832673525	680163611	/nfs/dbraw/zinc/16/36/11/680163611.db2.gz	UVWBFSRDSAJLER-OAHLLOKOSA-N	1	1	368.275	2.176	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](C)C[C@@H](O)c1ccccc1Br	ZINC000832673525	680163613	/nfs/dbraw/zinc/16/36/13/680163613.db2.gz	UVWBFSRDSAJLER-OAHLLOKOSA-N	1	1	368.275	2.176	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001023379679	680258169	/nfs/dbraw/zinc/25/81/69/680258169.db2.gz	MKIIGHMMAFBGTB-IIDMSEBBSA-N	1	1	360.527	2.288	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC001023379679	680258172	/nfs/dbraw/zinc/25/81/72/680258172.db2.gz	MKIIGHMMAFBGTB-IIDMSEBBSA-N	1	1	360.527	2.288	20	30		FEEDMO
CSCC1CCC(=NNC(=S)NCCC[NH+]2CCOCC2)CC1	ZINC000834926039	680282840	/nfs/dbraw/zinc/28/28/40/680282840.db2.gz	VHLXOAFYRQBHBW-UHFFFAOYSA-N	1	1	358.577	2.082	20	30		FEEDMO
C=C(Br)C[NH+]1CCC([C@@H](C)NC(=O)[C@]23C[C@H]2COC3)CC1	ZINC000997083595	680346890	/nfs/dbraw/zinc/34/68/90/680346890.db2.gz	AMAFTSLRDJUVLJ-INWMFGNUSA-N	1	1	357.292	2.148	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2cnsn2)CC1	ZINC001026575514	680347528	/nfs/dbraw/zinc/34/75/28/680347528.db2.gz	WGXZNOAEBLCLEK-BGHVQYPCSA-N	1	1	350.488	2.036	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@]23CCC[C@H]2OCC3)C1	ZINC001028685017	680380030	/nfs/dbraw/zinc/38/00/30/680380030.db2.gz	BBMWHCBZPLLHHE-FMKPAKJESA-N	1	1	357.292	2.292	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@]23CCC[C@H]2OCC3)C1	ZINC001028685017	680380034	/nfs/dbraw/zinc/38/00/34/680380034.db2.gz	BBMWHCBZPLLHHE-FMKPAKJESA-N	1	1	357.292	2.292	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCOCC2)C1	ZINC001028808815	680383266	/nfs/dbraw/zinc/38/32/66/680383266.db2.gz	GEMPWJJEOPYDGY-OTWHNJEPSA-N	1	1	350.503	2.222	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCOCC2)C1	ZINC001028860602	680385915	/nfs/dbraw/zinc/38/59/15/680385915.db2.gz	AWFVDGOJFBFRPE-QYZOEREBSA-N	1	1	350.503	2.222	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCOCC2)C1	ZINC001029739484	680390488	/nfs/dbraw/zinc/39/04/88/680390488.db2.gz	ORUYJAOHAIREII-QRVBRYPASA-N	1	1	350.503	2.175	20	30		FEEDMO
CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1	ZINC001033094315	680417110	/nfs/dbraw/zinc/41/71/10/680417110.db2.gz	VSKLHZZEIJZCLL-QRFRQXIXSA-N	1	1	358.869	2.261	20	30		FEEDMO
CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1	ZINC001033094315	680417111	/nfs/dbraw/zinc/41/71/11/680417111.db2.gz	VSKLHZZEIJZCLL-QRFRQXIXSA-N	1	1	358.869	2.261	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001033959594	680429210	/nfs/dbraw/zinc/42/92/10/680429210.db2.gz	GCFUAQXNBMWQAH-BBWFWOEESA-N	1	1	366.893	2.050	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1	ZINC001034647017	680436562	/nfs/dbraw/zinc/43/65/62/680436562.db2.gz	GGCFLZQGJJRJKB-XOUADPBQSA-N	1	1	350.488	2.036	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2CC#Cc2ccccc2Cl)CC[N@H+]1C	ZINC001038263856	680454104	/nfs/dbraw/zinc/45/41/04/680454104.db2.gz	ALBJFBMTZGHCKK-KBAYOESNSA-N	1	1	359.901	2.222	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1	ZINC000836376667	680459795	/nfs/dbraw/zinc/45/97/95/680459795.db2.gz	INTGIFBTYDIANM-MSOLQXFVSA-N	1	1	362.905	2.340	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1	ZINC000836395706	680463427	/nfs/dbraw/zinc/46/34/27/680463427.db2.gz	XNHZTLYRKZMNLB-AWEZNQCLSA-N	1	1	366.868	2.312	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2	ZINC001001701116	680472599	/nfs/dbraw/zinc/47/25/99/680472599.db2.gz	WZWKNCFYKGVIEC-KBXIAJHMSA-N	1	1	353.894	2.107	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2	ZINC001003133766	680520860	/nfs/dbraw/zinc/52/08/60/680520860.db2.gz	RQECEWHYVUUWER-BTAUDXDXSA-N	1	1	367.921	2.353	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CC[NH+](Cc2snnc2C)CC1	ZINC001003763019	680541189	/nfs/dbraw/zinc/54/11/89/680541189.db2.gz	IBZYQYBMLGHDQG-RDJZCZTQSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2csnc2OC)CC1	ZINC001045563181	680634666	/nfs/dbraw/zinc/63/46/66/680634666.db2.gz	BAUHNLUXDGANBD-CABCVRRESA-N	1	1	365.499	2.214	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1ncncc1Cl	ZINC001046162384	680644437	/nfs/dbraw/zinc/64/44/37/680644437.db2.gz	MZOQXTMGZBOEDA-OAGGEKHMSA-N	1	1	361.877	2.067	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1ncncc1Cl	ZINC001046162384	680644439	/nfs/dbraw/zinc/64/44/39/680644439.db2.gz	MZOQXTMGZBOEDA-OAGGEKHMSA-N	1	1	361.877	2.067	20	30		FEEDMO
C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)C1	ZINC001047521412	680664893	/nfs/dbraw/zinc/66/48/93/680664893.db2.gz	QLRMSCSNCJPTJG-OMNBBPDLSA-N	1	1	350.409	2.148	20	30		FEEDMO
CC(C)OC[C@@H](O)CO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000768301439	680943617	/nfs/dbraw/zinc/94/36/17/680943617.db2.gz	LOCMUBXEYQRXOB-OAHLLOKOSA-N	1	1	351.403	2.331	20	30		FEEDMO
CCN1CCN([C@@H](C)CNC(NC(C)(C)C)=[NH+]CCCSC)CC1	ZINC000912506781	685388639	/nfs/dbraw/zinc/38/86/39/685388639.db2.gz	BWBWJFZMINPRMP-INIZCTEOSA-N	1	1	357.612	2.099	20	30		FEEDMO
CCc1ccc(CNC(=O)C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)s1	ZINC000844367984	681054656	/nfs/dbraw/zinc/05/46/56/681054656.db2.gz	CFNXNLPGMBXHJP-GOSISDBHSA-N	1	1	357.479	2.464	20	30		FEEDMO
CCc1ccc(CNC(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)s1	ZINC000844367984	681054657	/nfs/dbraw/zinc/05/46/57/681054657.db2.gz	CFNXNLPGMBXHJP-GOSISDBHSA-N	1	1	357.479	2.464	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC1CC(C)(C)C1	ZINC001051154335	681064387	/nfs/dbraw/zinc/06/43/87/681064387.db2.gz	DGJYMVAAVURELC-SQNIBIBYSA-N	1	1	350.503	2.221	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC1CC(C)(C)C1	ZINC001051154335	681064391	/nfs/dbraw/zinc/06/43/91/681064391.db2.gz	DGJYMVAAVURELC-SQNIBIBYSA-N	1	1	350.503	2.221	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2snc(C)c2C#N)[C@@H]1C	ZINC001051158895	681064884	/nfs/dbraw/zinc/06/48/84/681064884.db2.gz	VLVCIOPYGVYJPB-KBMXLJTQSA-N	1	1	361.515	2.281	20	30		FEEDMO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ncc(Br)s1	ZINC000772986860	681121091	/nfs/dbraw/zinc/12/10/91/681121091.db2.gz	ZOCRYIPQEMOQGM-MDBUJETNSA-N	1	1	371.260	2.083	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccc(C(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)cc1	ZINC000845738755	681149674	/nfs/dbraw/zinc/14/96/74/681149674.db2.gz	CDJQTSJQTZFQPI-OAHLLOKOSA-N	1	1	366.483	2.181	20	30		FEEDMO
C=CCNS(=O)(=O)c1cccc(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)c1	ZINC000845739005	681149730	/nfs/dbraw/zinc/14/97/30/681149730.db2.gz	DJGPXYFKAYHDFR-HNNXBMFYSA-N	1	1	366.483	2.181	20	30		FEEDMO
N#C[C@H]1CNC[C@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1	ZINC000846313142	681223796	/nfs/dbraw/zinc/22/37/96/681223796.db2.gz	KJSMCYMXNXZXIX-WMLDXEAASA-N	1	1	359.499	2.108	20	30		FEEDMO
C=CC1(CC(=O)N2CCC[N@H+](CC)CC2)CN(C(=O)OC(C)(C)C)C1	ZINC000932351771	681232506	/nfs/dbraw/zinc/23/25/06/681232506.db2.gz	GQHAGOQXACRKBS-UHFFFAOYSA-N	1	1	351.491	2.354	20	30		FEEDMO
C=CCNC(=O)C[N@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1	ZINC000932809040	681313833	/nfs/dbraw/zinc/31/38/33/681313833.db2.gz	AGEKXMAQNWTGQG-INIZCTEOSA-N	1	1	353.260	2.035	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCC[C@@](O)(c2ccc(Br)cc2)C1	ZINC000932809040	681313837	/nfs/dbraw/zinc/31/38/37/681313837.db2.gz	AGEKXMAQNWTGQG-INIZCTEOSA-N	1	1	353.260	2.035	20	30		FEEDMO
CC(C)(C)OCCC[NH+]1CCN(C(=O)N[C@@H](CC#N)C(F)(F)F)CC1	ZINC000932889664	681323314	/nfs/dbraw/zinc/32/33/14/681323314.db2.gz	UHEUBBXRBBTHPH-ZDUSSCGKSA-N	1	1	364.412	2.363	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H](CC#N)C(F)(F)F)[C@@H](C)C1	ZINC000932919448	681328371	/nfs/dbraw/zinc/32/83/71/681328371.db2.gz	ISOQYGBMTKINNT-IHRRRGAJSA-N	1	1	364.412	2.267	20	30		FEEDMO
FC1(F)[C@H]2C[N@@H+](CCn3cncn3)C[C@H]2C(F)(F)C(F)(F)C1(F)F	ZINC000932942212	681332091	/nfs/dbraw/zinc/33/20/91/681332091.db2.gz	GCPSHTWACOUYGZ-OCAPTIKFSA-N	1	1	364.240	2.381	20	30		FEEDMO
CN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O	ZINC000932944532	681332569	/nfs/dbraw/zinc/33/25/69/681332569.db2.gz	WSGSYMHIIBGIFL-GJMOJQLCSA-N	1	1	366.252	2.320	20	30		FEEDMO
C#C[C@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)[C@@H]1CCCO1	ZINC000775793745	681335752	/nfs/dbraw/zinc/33/57/52/681335752.db2.gz	NMWFBKALMZWXMX-RDJZCZTQSA-N	1	1	356.447	2.119	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)C[NH+]2CCCC2)c1	ZINC000932960117	681336696	/nfs/dbraw/zinc/33/66/96/681336696.db2.gz	BQZCXOFLANYVSA-KRWDZBQOSA-N	1	1	362.495	2.088	20	30		FEEDMO
C[C@H]([NH2+][C@H](CO)c1ccccc1C(F)(F)F)C(=O)NC1(C#N)CCC1	ZINC000933241254	681379248	/nfs/dbraw/zinc/37/92/48/681379248.db2.gz	JSTINJXDBPHGLP-SMDDNHRTSA-N	1	1	355.360	2.279	20	30		FEEDMO
C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC000948642403	681592053	/nfs/dbraw/zinc/59/20/53/681592053.db2.gz	HFRYWRRCFDGGDC-CADBVGFASA-N	1	1	350.503	2.317	20	30		FEEDMO
N#Cc1ccc(C2(NC(=S)NCCC[NH+]3CCOCC3)CCC2)cc1	ZINC000848652177	681593628	/nfs/dbraw/zinc/59/36/28/681593628.db2.gz	FFONYXDDBQHHTP-UHFFFAOYSA-N	1	1	358.511	2.124	20	30		FEEDMO
CN(C)[S@@](C)(=O)=NCC1CC[NH+](CC#Cc2ccc(F)cc2)CC1	ZINC000934751034	681621304	/nfs/dbraw/zinc/62/13/04/681621304.db2.gz	GZZIANDHORVEKV-DEOSSOPVSA-N	1	1	351.491	2.464	20	30		FEEDMO
C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3OCC[C@H]3CC)CC2)C1	ZINC000949389347	681637592	/nfs/dbraw/zinc/63/75/92/681637592.db2.gz	ZDDZQMIMDHSDMT-MSOLQXFVSA-N	1	1	350.503	2.461	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC1)C[N@@H+](CC(C)C)CCO2	ZINC000949493086	681643691	/nfs/dbraw/zinc/64/36/91/681643691.db2.gz	NWECHGOATRUHLE-ROUUACIJSA-N	1	1	350.503	2.317	20	30		FEEDMO
CC(C)(CC[NH+]1CCOCC1)NC(=O)C(F)(F)c1ccccc1C#N	ZINC000912947846	685467501	/nfs/dbraw/zinc/46/75/01/685467501.db2.gz	AWFDBCJXUWLHJX-UHFFFAOYSA-N	1	1	351.397	2.267	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]21	ZINC000962019231	682106925	/nfs/dbraw/zinc/10/69/25/682106925.db2.gz	SNOBVKXOXZADTQ-DTJSUFBGSA-N	1	1	361.873	2.263	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccncc3Cl)C[C@H]21	ZINC000962019231	682106929	/nfs/dbraw/zinc/10/69/29/682106929.db2.gz	SNOBVKXOXZADTQ-DTJSUFBGSA-N	1	1	361.873	2.263	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@@H](C)c1csnn1)C2	ZINC000965161383	682184212	/nfs/dbraw/zinc/18/42/12/682184212.db2.gz	QHYWIQJKQLUXJW-LPHVQRFKSA-N	1	1	362.499	2.207	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000968965621	682252224	/nfs/dbraw/zinc/25/22/24/682252224.db2.gz	TZQJVQJSZOGXLA-VVLHAWIVSA-N	1	1	356.894	2.151	20	30		FEEDMO
C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000968965621	682252227	/nfs/dbraw/zinc/25/22/27/682252227.db2.gz	TZQJVQJSZOGXLA-VVLHAWIVSA-N	1	1	356.894	2.151	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307791	682257863	/nfs/dbraw/zinc/25/78/63/682257863.db2.gz	IHIKTHCMGRWNQA-CQSZACIVSA-N	1	1	354.495	2.230	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307791	682257864	/nfs/dbraw/zinc/25/78/64/682257864.db2.gz	IHIKTHCMGRWNQA-CQSZACIVSA-N	1	1	354.495	2.230	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](N3CCOC3=O)C2)cc1Cl	ZINC000852435425	682277685	/nfs/dbraw/zinc/27/76/85/682277685.db2.gz	OHKRUWAWAFIZDI-CQSZACIVSA-N	1	1	362.817	2.067	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(Cl)s2)C1	ZINC000970241465	682290693	/nfs/dbraw/zinc/29/06/93/682290693.db2.gz	KXRARPZYMPZFRO-XUJVJEKNSA-N	1	1	355.891	2.468	20	30		FEEDMO
Cc1ccc(CN2CCSCC2)cc1NC(=O)C#CC1CC[NH2+]CC1	ZINC000852863420	682351363	/nfs/dbraw/zinc/35/13/63/682351363.db2.gz	OBDPQFCJHPEANO-UHFFFAOYSA-N	1	1	357.523	2.485	20	30		FEEDMO
N#Cc1sccc1N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1	ZINC000853531253	682428921	/nfs/dbraw/zinc/42/89/21/682428921.db2.gz	NTFUQBQTRSJZGN-MRXNPFEDSA-N	1	1	357.435	2.073	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC1(C)C	ZINC000854663696	682576930	/nfs/dbraw/zinc/57/69/30/682576930.db2.gz	DCTIHZCKDCZOLZ-HNNXBMFYSA-N	1	1	351.491	2.093	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1COC(=O)c1cnc(C(F)(F)F)c(C#N)c1	ZINC000861037836	683336136	/nfs/dbraw/zinc/33/61/36/683336136.db2.gz	LNQDYXYBFVBVIP-ZDUSSCGKSA-N	1	1	357.332	2.240	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cnc1C(F)(F)F	ZINC000928079530	683372387	/nfs/dbraw/zinc/37/23/87/683372387.db2.gz	IYIBWAFUBKQJFJ-OLZOCXBDSA-N	1	1	370.400	2.282	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cnc1C(F)(F)F	ZINC000928079530	683372393	/nfs/dbraw/zinc/37/23/93/683372393.db2.gz	IYIBWAFUBKQJFJ-OLZOCXBDSA-N	1	1	370.400	2.282	20	30		FEEDMO
Clc1nc(N2CCCC2)sc1C=NNCCC[NH+]1CCOCC1	ZINC000799486447	683459786	/nfs/dbraw/zinc/45/97/86/683459786.db2.gz	BAWQXNPDFGKQKT-UHFFFAOYSA-N	1	1	357.911	2.043	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCn1cc[nH+]c1C(C)C	ZINC000921525660	683492921	/nfs/dbraw/zinc/49/29/21/683492921.db2.gz	ACAPXLIJOSDVHI-UHFFFAOYSA-N	1	1	350.419	2.304	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(C(=O)N[C@H](CC#N)C(F)(F)F)cc2)CC1	ZINC000928807749	683506805	/nfs/dbraw/zinc/50/68/05/683506805.db2.gz	ATNKKNYYUDYKAN-OAHLLOKOSA-N	1	1	354.376	2.008	20	30		FEEDMO
C[NH+]1CCN(N=Cc2c[nH]nc2-c2ccc(Br)s2)CC1	ZINC000863064053	683675108	/nfs/dbraw/zinc/67/51/08/683675108.db2.gz	CTFRNBSUFMMJDE-UHFFFAOYSA-N	1	1	354.277	2.482	20	30		FEEDMO
C[N@H+](C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)CC(C)(C)C#N	ZINC000930567115	683753933	/nfs/dbraw/zinc/75/39/33/683753933.db2.gz	DYLTZNGYGOSNAJ-CYBMUJFWSA-N	1	1	351.447	2.021	20	30		FEEDMO
C[N@@H+](C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)CC(C)(C)C#N	ZINC000930567115	683753940	/nfs/dbraw/zinc/75/39/40/683753940.db2.gz	DYLTZNGYGOSNAJ-CYBMUJFWSA-N	1	1	351.447	2.021	20	30		FEEDMO
C#CC1(O)CC[NH+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000931143248	683840925	/nfs/dbraw/zinc/84/09/25/683840925.db2.gz	HDMFPSIYEKMNBX-UHFFFAOYSA-N	1	1	355.265	2.412	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)C(C)(C)n2cc(C)c(C(F)(F)F)n2)CC1	ZINC000865085166	683933492	/nfs/dbraw/zinc/93/34/92/683933492.db2.gz	KUQNVBGAMSDUSW-UHFFFAOYSA-N	1	1	356.392	2.113	20	30		FEEDMO
N#Cc1cccc(Br)c1NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000865500521	683990162	/nfs/dbraw/zinc/99/01/62/683990162.db2.gz	CIHOOYJBORTULY-CYBMUJFWSA-N	1	1	365.275	2.320	20	30		FEEDMO
CN(CCCN1CC[NH+](C)CC1)c1c(Br)cccc1C#N	ZINC000865532321	683994149	/nfs/dbraw/zinc/99/41/49/683994149.db2.gz	YQIBRDQTEOKZQA-UHFFFAOYSA-N	1	1	351.292	2.394	20	30		FEEDMO
N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000866994068	684193113	/nfs/dbraw/zinc/19/31/13/684193113.db2.gz	OCFLDBIUJSZOPU-KBXCAEBGSA-N	1	1	363.458	2.335	20	30		FEEDMO
C#C[C@@H](NS(=O)(=O)CC1([NH+](C)C)CC1)c1ccc(Br)cc1	ZINC000867316970	684246782	/nfs/dbraw/zinc/24/67/82/684246782.db2.gz	BSUBPXBYZAPCDG-CQSZACIVSA-N	1	1	371.300	2.137	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cc(Br)c3nccnc3c2)CC1	ZINC000931344402	684265438	/nfs/dbraw/zinc/26/54/38/684265438.db2.gz	MJLRBMBVGJBEML-UHFFFAOYSA-N	1	1	373.254	2.173	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)C1	ZINC000923585104	684308743	/nfs/dbraw/zinc/30/87/43/684308743.db2.gz	KCCDNEMOXDYIRW-RHSMWYFYSA-N	1	1	359.495	2.339	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)C1	ZINC000923585104	684308746	/nfs/dbraw/zinc/30/87/46/684308746.db2.gz	KCCDNEMOXDYIRW-RHSMWYFYSA-N	1	1	359.495	2.339	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)C2(C(=O)OC(C)(C)C)CCSCC2)C1	ZINC000923595956	684311425	/nfs/dbraw/zinc/31/14/25/684311425.db2.gz	YAOUWFBHLAXISA-HNNXBMFYSA-N	1	1	366.527	2.055	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)C2(C(=O)OC(C)(C)C)CCSCC2)C1	ZINC000923595956	684311428	/nfs/dbraw/zinc/31/14/28/684311428.db2.gz	YAOUWFBHLAXISA-HNNXBMFYSA-N	1	1	366.527	2.055	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1	ZINC000868716297	684532394	/nfs/dbraw/zinc/53/23/94/684532394.db2.gz	CEMGYRHRPDABOL-MCIONIFRSA-N	1	1	357.882	2.185	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)C1CCC(S(C)(=O)=O)CC1)C(C)C	ZINC000878190804	686538386	/nfs/dbraw/zinc/53/83/86/686538386.db2.gz	QLNVQLBZOBILHF-DAWZGUTISA-N	1	1	370.559	2.405	20	30		FEEDMO
C[N@@H+](C[C@H](O)c1cc(Br)no1)C[C@@H](O)c1cccc(C#N)c1	ZINC000878802079	686663831	/nfs/dbraw/zinc/66/38/31/686663831.db2.gz	AQYDCXLASHBPJN-OLZOCXBDSA-N	1	1	366.215	2.008	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC([C@H](F)C(N)=O)CC2)c(Br)c1	ZINC000879042880	686723016	/nfs/dbraw/zinc/72/30/16/686723016.db2.gz	YSCMOQBLDDJKND-AWEZNQCLSA-N	1	1	354.223	2.356	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]3CCNC(=O)[C@H]32)cc1Cl	ZINC000880527860	687057891	/nfs/dbraw/zinc/05/78/91/687057891.db2.gz	VTEWVTPACXFMQJ-SJCJKPOMSA-N	1	1	360.845	2.141	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3CCNC(=O)[C@H]32)cc1Cl	ZINC000880527859	687058024	/nfs/dbraw/zinc/05/80/24/687058024.db2.gz	VTEWVTPACXFMQJ-PXAZEXFGSA-N	1	1	360.845	2.141	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)[NH+]1CCOCC1	ZINC000880716710	687077752	/nfs/dbraw/zinc/07/77/52/687077752.db2.gz	RGDSTWWNXPWFPW-MRXNPFEDSA-N	1	1	352.385	2.315	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNc2ncc(C#N)cc2Br)CC1	ZINC000881822048	687226364	/nfs/dbraw/zinc/22/63/64/687226364.db2.gz	WYICBMHPTJDQLK-ZDUSSCGKSA-N	1	1	366.307	2.401	20	30		FEEDMO
C[C@H]1COCC[N@H+]1C1CCN(c2ncc(C#N)cc2Br)CC1	ZINC000882539879	687388827	/nfs/dbraw/zinc/38/88/27/687388827.db2.gz	FVBHVFWWLAAWJP-LBPRGKRZSA-N	1	1	365.275	2.405	20	30		FEEDMO
N#Cc1nc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1Br	ZINC000883079151	687558622	/nfs/dbraw/zinc/55/86/22/687558622.db2.gz	LNYZFAZSTMQVFD-DGCLKSJQSA-N	1	1	364.247	2.464	20	30		FEEDMO
C[N@H+]1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1(C)C	ZINC000883120324	687570766	/nfs/dbraw/zinc/57/07/66/687570766.db2.gz	ZUKWGTXPMXBQSX-UHFFFAOYSA-N	1	1	352.236	2.274	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000884951997	687972488	/nfs/dbraw/zinc/97/24/88/687972488.db2.gz	KFDIFKUZMBDWAH-UONOGXRCSA-N	1	1	373.400	2.482	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccncc1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000886425015	688253257	/nfs/dbraw/zinc/25/32/57/688253257.db2.gz	OAAISFKUNRLMNT-UHFFFAOYSA-N	1	1	358.467	2.096	20	30		FEEDMO
Cc1csc(C[C@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)n1	ZINC000886696718	688291572	/nfs/dbraw/zinc/29/15/72/688291572.db2.gz	UVRCUIVAJKPDSX-MRXNPFEDSA-N	1	1	359.499	2.362	20	30		FEEDMO
Cc1csc(C[C@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)n1	ZINC000886696718	688291575	/nfs/dbraw/zinc/29/15/75/688291575.db2.gz	UVRCUIVAJKPDSX-MRXNPFEDSA-N	1	1	359.499	2.362	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@H](c4nccs4)C3)C2=O)cc1	ZINC000887303639	688403018	/nfs/dbraw/zinc/40/30/18/688403018.db2.gz	YZBSFSIWICPMKF-DZGCQCFKSA-N	1	1	352.419	2.136	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@H](c4nccs4)C3)C2=O)cc1	ZINC000887303639	688403020	/nfs/dbraw/zinc/40/30/20/688403020.db2.gz	YZBSFSIWICPMKF-DZGCQCFKSA-N	1	1	352.419	2.136	20	30		FEEDMO
N#Cc1csc(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)n1	ZINC000893003191	689279294	/nfs/dbraw/zinc/27/92/94/689279294.db2.gz	YZOSQIKMTFLPKO-INIZCTEOSA-N	1	1	355.467	2.479	20	30		FEEDMO
CN(c1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1)S(C)(=O)=O	ZINC000898283247	690153833	/nfs/dbraw/zinc/15/38/33/690153833.db2.gz	WVXKVYNNWSANFD-UHFFFAOYSA-N	1	1	364.858	2.292	20	30		FEEDMO
C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000900788455	690561994	/nfs/dbraw/zinc/56/19/94/690561994.db2.gz	BACKOSAZNFGAIH-DNVCBOLYSA-N	1	1	355.463	2.358	20	30		FEEDMO
N#Cc1sccc1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000906376972	691260127	/nfs/dbraw/zinc/26/01/27/691260127.db2.gz	UCHYNIQKHDQHLM-OAHLLOKOSA-N	1	1	354.435	2.322	20	30		FEEDMO
N#Cc1sccc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000906376972	691260131	/nfs/dbraw/zinc/26/01/31/691260131.db2.gz	UCHYNIQKHDQHLM-OAHLLOKOSA-N	1	1	354.435	2.322	20	30		FEEDMO
C#C[C@@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccc(Br)cc1	ZINC000908516410	691692509	/nfs/dbraw/zinc/69/25/09/691692509.db2.gz	IELVHSFCGWCDLF-WBVHZDCISA-N	1	1	365.271	2.086	20	30		FEEDMO
C=CCn1c(-c2cnsn2)nnc1N1CCC[N@H+](C2CCCC2)CC1	ZINC000908719518	691717895	/nfs/dbraw/zinc/71/78/95/691717895.db2.gz	AVRFMFZURSZYRH-UHFFFAOYSA-N	1	1	359.503	2.437	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)ncc1C#N)C2	ZINC001164813180	720089136	/nfs/dbraw/zinc/08/91/36/720089136.db2.gz	SWHULXSFEHZKEK-YJBOKZPZSA-N	1	1	361.877	2.186	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1C#N)C2	ZINC001164807468	720104145	/nfs/dbraw/zinc/10/41/45/720104145.db2.gz	CMUIPLQGKILHOY-QFBILLFUSA-N	1	1	371.441	2.046	20	30		FEEDMO
Cc1nc(C#N)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164839482	720643503	/nfs/dbraw/zinc/64/35/03/720643503.db2.gz	NKJSQFSSYPLJNZ-NZSAHSFTSA-N	1	1	365.485	2.231	20	30		FEEDMO
N#Cc1cnc2cc[nH]c(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c1-2	ZINC001164880419	721127196	/nfs/dbraw/zinc/12/71/96/721127196.db2.gz	WLENDNSNJJULAX-QZTJIDSGSA-N	1	1	374.448	2.309	20	30		FEEDMO
C=CCOc1cc(C)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1	ZINC001164769910	721138165	/nfs/dbraw/zinc/13/81/65/721138165.db2.gz	PZLTUMGWYZNNGK-ROUUACIJSA-N	1	1	368.485	2.042	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5c(cc4C#N)CCC5)C[C@@H]3C2)cn1	ZINC001164762642	721200078	/nfs/dbraw/zinc/20/00/78/721200078.db2.gz	DCBDZOJLMBGMJK-HKUYNNGSSA-N	1	1	362.481	2.134	20	30		FEEDMO
Cc1ccc(CC#N)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1	ZINC001164763211	721210831	/nfs/dbraw/zinc/21/08/31/721210831.db2.gz	DSLSEUPYYNSKMR-RBUKOAKNSA-N	1	1	350.470	2.148	20	30		FEEDMO
COc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1C#N	ZINC001164897312	721510065	/nfs/dbraw/zinc/51/00/65/721510065.db2.gz	FRHFPGRRXUPYGE-FUHWJXTLSA-N	1	1	368.412	2.443	20	30		FEEDMO
Cc1ncc(C#N)c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164911917	721526030	/nfs/dbraw/zinc/52/60/30/721526030.db2.gz	XLWPCMKRCQUQPU-WMZOPIPTSA-N	1	1	353.401	2.138	20	30		FEEDMO
CC(=O)NCC[N@@H+](CCCC1(C#N)CCOCC1)C1CCSCC1	ZINC000549407478	674039851	/nfs/dbraw/zinc/03/98/51/674039851.db2.gz	CQBLBLZXFMPFHK-UHFFFAOYSA-N	1	1	353.532	2.421	20	30		FEEDMO
Cc1cc(NC(=O)CC[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)no1	ZINC000021406954	539682627	/nfs/dbraw/zinc/68/26/27/539682627.db2.gz	OYEFTPGJFOGZGB-UHFFFAOYSA-N	1	1	367.453	2.391	20	30		FEEDMO
Cc1cc(NC(=O)CCN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)no1	ZINC000021406954	539682632	/nfs/dbraw/zinc/68/26/32/539682632.db2.gz	OYEFTPGJFOGZGB-UHFFFAOYSA-N	1	1	367.453	2.391	20	30		FEEDMO
Cc1cc(NC(=O)CCN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)no1	ZINC000021406954	539682636	/nfs/dbraw/zinc/68/26/36/539682636.db2.gz	OYEFTPGJFOGZGB-UHFFFAOYSA-N	1	1	367.453	2.391	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+](CCC(N)=O)Cc1ccccc1	ZINC000027548029	539809330	/nfs/dbraw/zinc/80/93/30/539809330.db2.gz	QKISUMZKYHIIHH-UHFFFAOYSA-N	1	1	356.451	2.326	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccccc1C#N)[N@@H+]1CCc2ccccc2C1	ZINC000028322751	539829755	/nfs/dbraw/zinc/82/97/55/539829755.db2.gz	UYOILMWMUHSJTD-OAHLLOKOSA-N	1	1	355.463	2.283	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccccc1C#N)[N@H+]1CCc2ccccc2C1	ZINC000028322751	539829761	/nfs/dbraw/zinc/82/97/61/539829761.db2.gz	UYOILMWMUHSJTD-OAHLLOKOSA-N	1	1	355.463	2.283	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000029780910	539864615	/nfs/dbraw/zinc/86/46/15/539864615.db2.gz	UTHIDLZSWGANJV-OAGGEKHMSA-N	1	1	359.470	2.330	20	30		FEEDMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000036659864	539992161	/nfs/dbraw/zinc/99/21/61/539992161.db2.gz	HESNGUUIEQWSRT-QGZVFWFLSA-N	1	1	371.481	2.477	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)C1	ZINC000046518667	540261331	/nfs/dbraw/zinc/26/13/31/540261331.db2.gz	WQUGZASJTRYFIM-QAPCUYQASA-N	1	1	357.454	2.180	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)C1	ZINC000046518667	540261333	/nfs/dbraw/zinc/26/13/33/540261333.db2.gz	WQUGZASJTRYFIM-QAPCUYQASA-N	1	1	357.454	2.180	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN(Cc2cccs2)CC1)Cc1ccc(C#N)cc1	ZINC000046527835	540261426	/nfs/dbraw/zinc/26/14/26/540261426.db2.gz	YZJYVMUDMJHZMC-UHFFFAOYSA-N	1	1	368.506	2.396	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN(Cc2cccs2)CC1)Cc1ccc(C#N)cc1	ZINC000046527835	540261430	/nfs/dbraw/zinc/26/14/30/540261430.db2.gz	YZJYVMUDMJHZMC-UHFFFAOYSA-N	1	1	368.506	2.396	20	30		FEEDMO
Cc1csc(N2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)n1	ZINC000047890891	540332649	/nfs/dbraw/zinc/33/26/49/540332649.db2.gz	CPRRNYSPRNWERE-QGZVFWFLSA-N	1	1	372.494	2.080	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000047981766	540338199	/nfs/dbraw/zinc/33/81/99/540338199.db2.gz	YYXLNRKPCINHKZ-YOEHRIQHSA-N	1	1	354.454	2.123	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000047981766	540338202	/nfs/dbraw/zinc/33/82/02/540338202.db2.gz	YYXLNRKPCINHKZ-YOEHRIQHSA-N	1	1	354.454	2.123	20	30		FEEDMO
CN(C(=O)C[N@H+](C)C[C@H](O)COc1ccc(CC#N)cc1)C1CCCCC1	ZINC000048045642	540341796	/nfs/dbraw/zinc/34/17/96/540341796.db2.gz	JJCNGZSRLSUTRO-IBGZPJMESA-N	1	1	373.497	2.215	20	30		FEEDMO
CN(C(=O)C[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1)C1CCCCC1	ZINC000048045642	540341799	/nfs/dbraw/zinc/34/17/99/540341799.db2.gz	JJCNGZSRLSUTRO-IBGZPJMESA-N	1	1	373.497	2.215	20	30		FEEDMO
C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000536340534	540580502	/nfs/dbraw/zinc/58/05/02/540580502.db2.gz	DXQSNYKDZLSFDV-SNVBAGLBSA-N	1	1	362.384	2.033	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccc(OC)cc1	ZINC000054271960	540579435	/nfs/dbraw/zinc/57/94/35/540579435.db2.gz	BPQKBJYOQFQIES-UHFFFAOYSA-N	1	1	360.454	2.095	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCC(C(=O)OC)CC1)Cc1ccc(OC)cc1	ZINC000054271960	540579438	/nfs/dbraw/zinc/57/94/38/540579438.db2.gz	BPQKBJYOQFQIES-UHFFFAOYSA-N	1	1	360.454	2.095	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000055030149	540622862	/nfs/dbraw/zinc/62/28/62/540622862.db2.gz	SQWCOXSAJINTMB-UHFFFAOYSA-N	1	1	356.470	2.473	20	30		FEEDMO
CC(=O)N(C)C1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1	ZINC000064558178	541210807	/nfs/dbraw/zinc/21/08/07/541210807.db2.gz	IIVCXZARMZOEDK-UHFFFAOYSA-N	1	1	370.497	2.493	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000066196173	541289422	/nfs/dbraw/zinc/28/94/22/541289422.db2.gz	CMXZOEWGWYTICY-QGZVFWFLSA-N	1	1	357.502	2.116	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(Cc3ccc(F)cc3C#N)CC2)CC1	ZINC000066568259	541338059	/nfs/dbraw/zinc/33/80/59/541338059.db2.gz	BNERUMHZYWXDIE-UHFFFAOYSA-N	1	1	372.488	2.464	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1	ZINC000066869205	541383885	/nfs/dbraw/zinc/38/38/85/541383885.db2.gz	AYRFUORYVBTIIM-KRWDZBQOSA-N	1	1	372.856	2.169	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1	ZINC000067397560	541456463	/nfs/dbraw/zinc/45/64/63/541456463.db2.gz	XHJAYNZGPCFRHK-JKSUJKDBSA-N	1	1	359.470	2.427	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)/C=C/c2cccc(OC)c2OC(F)F)CC1	ZINC000068468276	541595793	/nfs/dbraw/zinc/59/57/93/541595793.db2.gz	IOGGJVMNUOBPRK-CMDGGOBGSA-N	1	1	364.392	2.477	20	30		FEEDMO
C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000543929769	541684842	/nfs/dbraw/zinc/68/48/42/541684842.db2.gz	XHSKPPBMKHPNIL-ZDUSSCGKSA-N	1	1	373.844	2.304	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1	ZINC000069594786	541698945	/nfs/dbraw/zinc/69/89/45/541698945.db2.gz	KHXUMIGAZYRKLT-LJQANCHMSA-N	1	1	358.486	2.447	20	30		FEEDMO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1	ZINC000071108723	541764548	/nfs/dbraw/zinc/76/45/48/541764548.db2.gz	MFTAXPGXNNZIPK-QZTJIDSGSA-N	1	1	370.453	2.051	20	30		FEEDMO
C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1	ZINC000072553344	541830802	/nfs/dbraw/zinc/83/08/02/541830802.db2.gz	JSNCVUHSBSIALL-UHFFFAOYSA-N	1	1	353.488	2.082	20	30		FEEDMO
C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1	ZINC000072553344	541830805	/nfs/dbraw/zinc/83/08/05/541830805.db2.gz	JSNCVUHSBSIALL-UHFFFAOYSA-N	1	1	353.488	2.082	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000072868446	541886293	/nfs/dbraw/zinc/88/62/93/541886293.db2.gz	UDJDLDANYMAGSH-QUCCMNQESA-N	1	1	356.514	2.448	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)N1CC[NH+](C)CC1	ZINC000073595967	541971009	/nfs/dbraw/zinc/97/10/09/541971009.db2.gz	SGQRUFKHMFJIBX-VQIMIIECSA-N	1	1	357.502	2.190	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000074659201	542110143	/nfs/dbraw/zinc/11/01/43/542110143.db2.gz	NPMPQPUKMBJPRA-IRXDYDNUSA-N	1	1	357.502	2.192	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)o2)cc1	ZINC000075738816	542201827	/nfs/dbraw/zinc/20/18/27/542201827.db2.gz	KWUURGUILURSKJ-KRWDZBQOSA-N	1	1	365.437	2.443	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)o2)cc1	ZINC000075738816	542201831	/nfs/dbraw/zinc/20/18/31/542201831.db2.gz	KWUURGUILURSKJ-KRWDZBQOSA-N	1	1	365.437	2.443	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)o2)c1	ZINC000075738884	542201227	/nfs/dbraw/zinc/20/12/27/542201227.db2.gz	WBIAKRSMNVHJCM-KRWDZBQOSA-N	1	1	365.437	2.443	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)o2)c1	ZINC000075738884	542201232	/nfs/dbraw/zinc/20/12/32/542201232.db2.gz	WBIAKRSMNVHJCM-KRWDZBQOSA-N	1	1	365.437	2.443	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@@H+]2CCCN(CC(F)(F)F)CC2)c1	ZINC000076397985	542274386	/nfs/dbraw/zinc/27/43/86/542274386.db2.gz	ZBMANCRZUXHAOE-UHFFFAOYSA-N	1	1	354.376	2.457	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CCC)C2)c1	ZINC000076659604	542307848	/nfs/dbraw/zinc/30/78/48/542307848.db2.gz	KOLYZVRMZQTJIZ-MRXNPFEDSA-N	1	1	359.470	2.380	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1	ZINC000076842728	542325948	/nfs/dbraw/zinc/32/59/48/542325948.db2.gz	SKCIZVXTUJYODG-QGZVFWFLSA-N	1	1	360.477	2.342	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N[C@]3(C#N)CCSC3)cc2)C[C@H](C)O1	ZINC000077036442	542343029	/nfs/dbraw/zinc/34/30/29/542343029.db2.gz	NALVFMUFTNVHAB-KHYOSLBOSA-N	1	1	359.495	2.425	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@]3(C#N)CCSC3)cc2)C[C@H](C)O1	ZINC000077036442	542343033	/nfs/dbraw/zinc/34/30/33/542343033.db2.gz	NALVFMUFTNVHAB-KHYOSLBOSA-N	1	1	359.495	2.425	20	30		FEEDMO
C=CCNC(=O)C[NH+]1CCC(N(CC2CC2)C(=O)OC(C)(C)C)CC1	ZINC000079510679	542523666	/nfs/dbraw/zinc/52/36/66/542523666.db2.gz	WZKGHYLAWBEBBD-UHFFFAOYSA-N	1	1	351.491	2.400	20	30		FEEDMO
N#Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)cc1	ZINC000081112043	542633261	/nfs/dbraw/zinc/63/32/61/542633261.db2.gz	LHADWXJYUXRXHN-WOJBJXKFSA-N	1	1	352.482	2.077	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1	ZINC000081625978	542669817	/nfs/dbraw/zinc/66/98/17/542669817.db2.gz	VFUIGRTYCIVRGV-PMACEKPBSA-N	1	1	372.488	2.482	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000081625978	542669821	/nfs/dbraw/zinc/66/98/21/542669821.db2.gz	VFUIGRTYCIVRGV-PMACEKPBSA-N	1	1	372.488	2.482	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)nc1	ZINC000089644436	542767606	/nfs/dbraw/zinc/76/76/06/542767606.db2.gz	KDGYSLQFSOIUBP-OALUTQOASA-N	1	1	366.465	2.045	20	30		FEEDMO
C[NH+](C)CC(=O)Nc1ccc(NC(=O)Cc2cccc(OCC#N)c2)cc1	ZINC000089773359	542770421	/nfs/dbraw/zinc/77/04/21/542770421.db2.gz	DCXZHJYPYBUMII-UHFFFAOYSA-N	1	1	366.421	2.270	20	30		FEEDMO
C[C@@H](O)[C@H]1CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000089928220	542774994	/nfs/dbraw/zinc/77/49/94/542774994.db2.gz	WVPFVHRXBPUAFP-ZBFHGGJFSA-N	1	1	368.399	2.266	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)CC1	ZINC000092643036	542876341	/nfs/dbraw/zinc/87/63/41/542876341.db2.gz	HDNRQXQFTMMTOB-LPHOPBHVSA-N	1	1	358.486	2.077	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)CC1	ZINC000092643036	542876343	/nfs/dbraw/zinc/87/63/43/542876343.db2.gz	HDNRQXQFTMMTOB-LPHOPBHVSA-N	1	1	358.486	2.077	20	30		FEEDMO
CC[C@H](C)[N@@H+](CCC(=O)N(C)CCC#N)Cc1nc2ccccc2c(=O)[nH]1	ZINC000092804456	542887795	/nfs/dbraw/zinc/88/77/95/542887795.db2.gz	GKAHAIIHRGVHSD-HNNXBMFYSA-N	1	1	369.469	2.286	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)cc1Cl	ZINC000093583012	542934838	/nfs/dbraw/zinc/93/48/38/542934838.db2.gz	OGIAGDWHLBCXEO-INIZCTEOSA-N	1	1	354.878	2.030	20	30		FEEDMO
C=C(C)COc1cc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)ccc1OC	ZINC000093756868	542939200	/nfs/dbraw/zinc/93/92/00/542939200.db2.gz	TVBYZVZGRCYVSO-UHFFFAOYSA-N	1	1	355.438	2.302	20	30		FEEDMO
C=C(C)COc1cc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)ccc1OC	ZINC000093756868	542939202	/nfs/dbraw/zinc/93/92/02/542939202.db2.gz	TVBYZVZGRCYVSO-UHFFFAOYSA-N	1	1	355.438	2.302	20	30		FEEDMO
N#C[C@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CCO1	ZINC000247438987	549334190	/nfs/dbraw/zinc/33/41/90/549334190.db2.gz	ZROTUOPRJMTAOB-DOTOQJQBSA-N	1	1	367.371	2.192	20	30		FEEDMO
CC[N@@H+](CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C1CC1	ZINC000102065606	543058539	/nfs/dbraw/zinc/05/85/39/543058539.db2.gz	RJURRRJGJWVQRD-UHFFFAOYSA-N	1	1	359.449	2.013	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1	ZINC000109232987	543318907	/nfs/dbraw/zinc/31/89/07/543318907.db2.gz	GSWVRXPUKMCFIJ-SFHVURJKSA-N	1	1	359.514	2.422	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000109396500	543323180	/nfs/dbraw/zinc/32/31/80/543323180.db2.gz	RYTLWWNQBSDOQO-CVEARBPZSA-N	1	1	359.449	2.060	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000109399732	543324307	/nfs/dbraw/zinc/32/43/07/543324307.db2.gz	BPVFMFZLHWTPIT-DLBZAZTESA-N	1	1	373.476	2.307	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC([C@@H](C)O)CC2)cc1	ZINC000111286298	543392895	/nfs/dbraw/zinc/39/28/95/543392895.db2.gz	JZLOUPGWROQXMF-MRXNPFEDSA-N	1	1	359.470	2.425	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(c2ncccc2C#N)CC1	ZINC000111883407	543423541	/nfs/dbraw/zinc/42/35/41/543423541.db2.gz	CCWFBKQNODEHMC-GOSISDBHSA-N	1	1	370.501	2.049	20	30		FEEDMO
C=C[C@H](O)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC000616326447	676246236	/nfs/dbraw/zinc/24/62/36/676246236.db2.gz	FDPKMADUSRRSPI-HNNXBMFYSA-N	1	1	353.260	2.077	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C	ZINC000118105492	543645241	/nfs/dbraw/zinc/64/52/41/543645241.db2.gz	LQHZXCFFSGADRQ-ZIAGYGMSSA-N	1	1	360.483	2.087	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000118127394	543647627	/nfs/dbraw/zinc/64/76/27/543647627.db2.gz	DGVIQEHYTDXPTC-KRWDZBQOSA-N	1	1	356.470	2.417	20	30		FEEDMO
COc1cc(/C=C/C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCC#N	ZINC000120911363	543686548	/nfs/dbraw/zinc/68/65/48/543686548.db2.gz	OCYIDDPWPNRGEI-LKEBIXNSSA-N	1	1	357.454	2.409	20	30		FEEDMO
CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000121343474	543692952	/nfs/dbraw/zinc/69/29/52/543692952.db2.gz	PTBXVEWDTYHQDS-MRXNPFEDSA-N	1	1	374.510	2.429	20	30		FEEDMO
CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000121343474	543692953	/nfs/dbraw/zinc/69/29/53/543692953.db2.gz	PTBXVEWDTYHQDS-MRXNPFEDSA-N	1	1	374.510	2.429	20	30		FEEDMO
C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000120113605	543675580	/nfs/dbraw/zinc/67/55/80/543675580.db2.gz	MDBMCOPUHCTMSJ-AWEZNQCLSA-N	1	1	353.488	2.162	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(N2CCCCC2=O)CC1	ZINC000120164186	543676263	/nfs/dbraw/zinc/67/62/63/543676263.db2.gz	HPQNZEWNVOKOCT-MRXNPFEDSA-N	1	1	360.502	2.194	20	30		FEEDMO
C#CCOc1ccc(F)cc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000120191698	543676907	/nfs/dbraw/zinc/67/69/07/543676907.db2.gz	AAHNCFZFBPTCHB-OAHLLOKOSA-N	1	1	361.417	2.024	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000122986453	543735823	/nfs/dbraw/zinc/73/58/23/543735823.db2.gz	LLGSXRYSKJGCON-CHWSQXEVSA-N	1	1	353.875	2.459	20	30		FEEDMO
O=C(C[N@@H+]1CCCC[C@@H]1CO)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000123020807	543737915	/nfs/dbraw/zinc/73/79/15/543737915.db2.gz	YHTNTDKYPPSGIE-MRXNPFEDSA-N	1	1	354.372	2.020	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1C	ZINC000122665819	543716972	/nfs/dbraw/zinc/71/69/72/543716972.db2.gz	IWQTULQOJNBUKU-GOSISDBHSA-N	1	1	373.497	2.044	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1C	ZINC000122665819	543716973	/nfs/dbraw/zinc/71/69/73/543716973.db2.gz	IWQTULQOJNBUKU-GOSISDBHSA-N	1	1	373.497	2.044	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000123289690	543752749	/nfs/dbraw/zinc/75/27/49/543752749.db2.gz	YPBSAQZNTSHSBP-UHFFFAOYSA-N	1	1	351.447	2.336	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(C)(C)CN1CCOCC1	ZINC000124513865	543827162	/nfs/dbraw/zinc/82/71/62/543827162.db2.gz	GFEKFFSAJONYBK-UHFFFAOYSA-N	1	1	358.486	2.177	20	30		FEEDMO
C#CCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000124012316	543796118	/nfs/dbraw/zinc/79/61/18/543796118.db2.gz	NRNBWEYWCHTUTA-UHFFFAOYSA-N	1	1	350.260	2.346	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124069509	543799796	/nfs/dbraw/zinc/79/97/96/543799796.db2.gz	OVLGSENKYGSSOP-LBPRGKRZSA-N	1	1	357.426	2.379	20	30		FEEDMO
C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124069509	543799800	/nfs/dbraw/zinc/79/98/00/543799800.db2.gz	OVLGSENKYGSSOP-LBPRGKRZSA-N	1	1	357.426	2.379	20	30		FEEDMO
CC(C)c1ccccc1NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125462980	543883010	/nfs/dbraw/zinc/88/30/10/543883010.db2.gz	BQSOIQGTOOIKEV-UHFFFAOYSA-N	1	1	354.458	2.490	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1	ZINC000126920460	543963695	/nfs/dbraw/zinc/96/36/95/543963695.db2.gz	OIMDNHGGIJFTBP-KRWDZBQOSA-N	1	1	360.889	2.454	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1	ZINC000127263255	543981502	/nfs/dbraw/zinc/98/15/02/543981502.db2.gz	KTPMVFQYUBSUGG-UHFFFAOYSA-N	1	1	368.250	2.168	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[N@H+]1C1CC1	ZINC000127555681	544000318	/nfs/dbraw/zinc/00/03/18/544000318.db2.gz	RYAOOKPUEPAEAE-GJZGRUSLSA-N	1	1	371.460	2.154	20	30		FEEDMO
CCC[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CC[N@@H+]1CCOC	ZINC000128729867	544069194	/nfs/dbraw/zinc/06/91/94/544069194.db2.gz	WGIUZCSWXMBVJU-AWEZNQCLSA-N	1	1	351.397	2.409	20	30		FEEDMO
CCC[C@H]1CN(C(=O)c2c(F)cc(C#N)cc2F)CC[N@H+]1CCOC	ZINC000128729867	544069196	/nfs/dbraw/zinc/06/91/96/544069196.db2.gz	WGIUZCSWXMBVJU-AWEZNQCLSA-N	1	1	351.397	2.409	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000128489277	544055397	/nfs/dbraw/zinc/05/53/97/544055397.db2.gz	AMUPJZRKJFYBJK-MRXNPFEDSA-N	1	1	360.433	2.263	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+](CCO)Cc2cccnc2)cc1Cl	ZINC000130060491	544137511	/nfs/dbraw/zinc/13/75/11/544137511.db2.gz	HTXMRMYNDXMWCL-UHFFFAOYSA-N	1	1	358.829	2.430	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(C)(=O)=O)ccc2CC)CC1	ZINC000130891740	544169996	/nfs/dbraw/zinc/16/99/96/544169996.db2.gz	ZMEBUYALNRLILG-UHFFFAOYSA-N	1	1	364.511	2.423	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(OC[C@@H]2CCOC2)CC1	ZINC000131906514	544211471	/nfs/dbraw/zinc/21/14/71/544211471.db2.gz	XVIBZNUYRYOQIJ-DOTOQJQBSA-N	1	1	357.454	2.403	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OC[C@H]2CCOC2)CC1	ZINC000131968434	544213546	/nfs/dbraw/zinc/21/35/46/544213546.db2.gz	JKTKCCLBSKUEBP-IRXDYDNUSA-N	1	1	363.502	2.235	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OC[C@@H]2CCOC2)CC1	ZINC000131968216	544213627	/nfs/dbraw/zinc/21/36/27/544213627.db2.gz	JKTKCCLBSKUEBP-IAGOWNOFSA-N	1	1	363.502	2.235	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1	ZINC000247503530	549346903	/nfs/dbraw/zinc/34/69/03/549346903.db2.gz	VCVGIJZTEGKTMH-LRDDRELGSA-N	1	1	362.861	2.339	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)cc1F)C1CCCCC1	ZINC000135820549	544361704	/nfs/dbraw/zinc/36/17/04/544361704.db2.gz	XWVBLKFILKSNEE-UHFFFAOYSA-N	1	1	360.433	2.407	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)nc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000151447075	544542594	/nfs/dbraw/zinc/54/25/94/544542594.db2.gz	CTKHTNXLOWVAJL-PMACEKPBSA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)nc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000151447075	544542597	/nfs/dbraw/zinc/54/25/97/544542597.db2.gz	CTKHTNXLOWVAJL-PMACEKPBSA-N	1	1	364.449	2.363	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000151097174	544505012	/nfs/dbraw/zinc/50/50/12/544505012.db2.gz	QPIHPZBXMORLIS-CYBMUJFWSA-N	1	1	353.463	2.486	20	30		FEEDMO
CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc(F)cc1C#N)C2	ZINC000152107695	544614440	/nfs/dbraw/zinc/61/44/40/544614440.db2.gz	TYISQBKPXXYMPY-JKSUJKDBSA-N	1	1	351.447	2.333	20	30		FEEDMO
C[C@@H](O)C[C@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000153162383	544740820	/nfs/dbraw/zinc/74/08/20/544740820.db2.gz	WYXOMQLPXNFCQI-RHSMWYFYSA-N	1	1	368.399	2.408	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)cc1	ZINC000153761620	544819667	/nfs/dbraw/zinc/81/96/67/544819667.db2.gz	WWAXRAGVZYKQDI-HXUWFJFHSA-N	1	1	357.454	2.444	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@]2(CCOC2)C1	ZINC000153525494	544786342	/nfs/dbraw/zinc/78/63/42/544786342.db2.gz	BDHXIWGAQHZQPS-JXFKEZNVSA-N	1	1	357.454	2.443	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(OCCCO)CC2)c1C	ZINC000155025759	544979488	/nfs/dbraw/zinc/97/94/88/544979488.db2.gz	QCWMVCUTSPUOMA-UHFFFAOYSA-N	1	1	373.497	2.414	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000155197284	545000795	/nfs/dbraw/zinc/00/07/95/545000795.db2.gz	WKMCLJJSASMSFJ-LLVKDONJSA-N	1	1	374.304	2.329	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)[NH+]1CCOCC1	ZINC000187480273	328028849	/nfs/dbraw/zinc/02/88/49/328028849.db2.gz	APHGCFLMXJZORE-IBGZPJMESA-N	1	1	355.482	2.453	20	30		FEEDMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(C#N)cc1	ZINC000188168974	328070698	/nfs/dbraw/zinc/07/06/98/328070698.db2.gz	RLYPGNGAUZGSFY-QFIPXVFZSA-N	1	1	363.461	2.196	20	30		FEEDMO
N#Cc1ccccc1Cn1cccc1C[N@H+]1CC[C@H](N2CCOCC2)C1	ZINC000189748461	328165822	/nfs/dbraw/zinc/16/58/22/328165822.db2.gz	QFIAAYJNGUDYCV-NRFANRHFSA-N	1	1	350.466	2.315	20	30		FEEDMO
N#Cc1ccccc1Cn1cccc1C[N@H+]1CC[C@@H](N2CCOCC2)C1	ZINC000189748484	328165865	/nfs/dbraw/zinc/16/58/65/328165865.db2.gz	QFIAAYJNGUDYCV-OAQYLSRUSA-N	1	1	350.466	2.315	20	30		FEEDMO
COc1cc(OC)cc(N2CC[C@H]([N@H+](C)Cc3cc(C#N)n(C)c3)C2=O)c1	ZINC000191428646	328265409	/nfs/dbraw/zinc/26/54/09/328265409.db2.gz	HFFBPXPZBYUAAL-IBGZPJMESA-N	1	1	368.437	2.151	20	30		FEEDMO
COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)Cc3cc(C#N)n(C)c3)C2=O)c1	ZINC000191428646	328265410	/nfs/dbraw/zinc/26/54/10/328265410.db2.gz	HFFBPXPZBYUAAL-IBGZPJMESA-N	1	1	368.437	2.151	20	30		FEEDMO
COc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1	ZINC000192241790	328308818	/nfs/dbraw/zinc/30/88/18/328308818.db2.gz	AWOFMMLGOIQGOC-LJQANCHMSA-N	1	1	365.433	2.466	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1	ZINC000192875029	328344369	/nfs/dbraw/zinc/34/43/69/328344369.db2.gz	MGPJQBYJFNJGJX-UHFFFAOYSA-N	1	1	354.454	2.221	20	30		FEEDMO
N#Cc1cccnc1N1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1	ZINC000077248064	324983091	/nfs/dbraw/zinc/98/30/91/324983091.db2.gz	GQWAPBKDQLAJHR-UHFFFAOYSA-N	1	1	360.421	2.368	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000081097707	325160378	/nfs/dbraw/zinc/16/03/78/325160378.db2.gz	ZYXPRTJJBOLAFH-YJBOKZPZSA-N	1	1	366.483	2.233	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000081097707	325160381	/nfs/dbraw/zinc/16/03/81/325160381.db2.gz	ZYXPRTJJBOLAFH-YJBOKZPZSA-N	1	1	366.483	2.233	20	30		FEEDMO
CN1CC[NH+](CCOc2ccc(NC(=O)c3cc(C#N)cs3)cc2)CC1	ZINC000084190455	325229884	/nfs/dbraw/zinc/22/98/84/325229884.db2.gz	FLYAJPCGUQFZQV-UHFFFAOYSA-N	1	1	370.478	2.498	20	30		FEEDMO
CCN(CC)C(=O)CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000087026778	325270135	/nfs/dbraw/zinc/27/01/35/325270135.db2.gz	SAOJDUAVQSUCIH-UHFFFAOYSA-N	1	1	370.497	2.241	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H]1CCSC1	ZINC000089936672	325343362	/nfs/dbraw/zinc/34/33/62/325343362.db2.gz	VJEAEDKOAVGTHE-HNNXBMFYSA-N	1	1	364.515	2.389	20	30		FEEDMO
COCCOc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1	ZINC000091936858	325398715	/nfs/dbraw/zinc/39/87/15/325398715.db2.gz	CQTSFJXFLXYDCU-MRXNPFEDSA-N	1	1	367.453	2.084	20	30		FEEDMO
COCCOc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1	ZINC000091936858	325398716	/nfs/dbraw/zinc/39/87/16/325398716.db2.gz	CQTSFJXFLXYDCU-MRXNPFEDSA-N	1	1	367.453	2.084	20	30		FEEDMO
C[C@@H](Oc1cccnc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000117748082	326068984	/nfs/dbraw/zinc/06/89/84/326068984.db2.gz	BDQLTTBXIUUJRL-QGZVFWFLSA-N	1	1	364.449	2.455	20	30		FEEDMO
C[C@@H](Oc1cccnc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000117748082	326068986	/nfs/dbraw/zinc/06/89/86/326068986.db2.gz	BDQLTTBXIUUJRL-QGZVFWFLSA-N	1	1	364.449	2.455	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1	ZINC000118810786	326104187	/nfs/dbraw/zinc/10/41/87/326104187.db2.gz	DWSSAPCOVRQRHG-IAGOWNOFSA-N	1	1	357.502	2.192	20	30		FEEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000119977974	326218018	/nfs/dbraw/zinc/21/80/18/326218018.db2.gz	GMVNFAHJTIBWTO-HNNXBMFYSA-N	1	1	362.861	2.483	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)CC[C@@H]21	ZINC000120608282	326272322	/nfs/dbraw/zinc/27/23/22/326272322.db2.gz	SOPPKQYNQGPRJN-LRDDRELGSA-N	1	1	360.845	2.093	20	30		FEEDMO
CCC[C@H]1CN(CCC(=O)Nc2sccc2C#N)CC[N@H+]1CCOC	ZINC000121706882	326359843	/nfs/dbraw/zinc/35/98/43/326359843.db2.gz	MWVGVRZARTUYNL-INIZCTEOSA-N	1	1	364.515	2.381	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1	ZINC000121714923	326360798	/nfs/dbraw/zinc/36/07/98/326360798.db2.gz	FXVWCZIKYHIUQC-RHSMWYFYSA-N	1	1	363.458	2.335	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000122085049	326383391	/nfs/dbraw/zinc/38/33/91/326383391.db2.gz	VYUBDMWLTAPDDH-HXUWFJFHSA-N	1	1	372.513	2.155	20	30		FEEDMO
Cn1cc(C#N)cc1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000152476331	326708451	/nfs/dbraw/zinc/70/84/51/326708451.db2.gz	IULDWQBHEDQKAC-UHFFFAOYSA-N	1	1	371.872	2.102	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC2)c1	ZINC000164722229	327073755	/nfs/dbraw/zinc/07/37/55/327073755.db2.gz	LVZPKPGGQWVRRQ-UHFFFAOYSA-N	1	1	374.441	2.053	20	30		FEEDMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1	ZINC000167170783	327084024	/nfs/dbraw/zinc/08/40/24/327084024.db2.gz	ZUXHTKRWZFSNEZ-INIZCTEOSA-N	1	1	366.387	2.320	20	30		FEEDMO
Cc1nc(CN2CCC[N@@H+](CCCOc3ccc(C#N)cc3)CC2)no1	ZINC000170942847	327109091	/nfs/dbraw/zinc/10/90/91/327109091.db2.gz	USWRQXOXAGHTCG-UHFFFAOYSA-N	1	1	355.442	2.227	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)CCO1	ZINC000173559202	327266653	/nfs/dbraw/zinc/26/66/53/327266653.db2.gz	DTIQFDGZVHFRNZ-HNNXBMFYSA-N	1	1	367.453	2.293	20	30		FEEDMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000264746138	329055943	/nfs/dbraw/zinc/05/59/43/329055943.db2.gz	UCLIWLQFJKKDNC-HOCLYGCPSA-N	1	1	363.458	2.143	20	30		FEEDMO
COC(=O)[C@@H]1CC12CC[NH+](CC(=O)Nc1cc(Cl)ccc1C#N)CC2	ZINC000265031044	329084613	/nfs/dbraw/zinc/08/46/13/329084613.db2.gz	IMVDRPQHEVGSRE-AWEZNQCLSA-N	1	1	361.829	2.425	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1ccc(C#N)cc1	ZINC000265359131	329118602	/nfs/dbraw/zinc/11/86/02/329118602.db2.gz	APFMKSRKAXOKTP-INIZCTEOSA-N	1	1	364.453	2.285	20	30		FEEDMO
Cc1cnc(N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)s1	ZINC000265414954	329124449	/nfs/dbraw/zinc/12/44/49/329124449.db2.gz	GLRSCSCGDXXOIJ-UHFFFAOYSA-N	1	1	355.467	2.474	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000265884918	329169536	/nfs/dbraw/zinc/16/95/36/329169536.db2.gz	ZQUZPUGLGUZAOD-QGZVFWFLSA-N	1	1	357.454	2.184	20	30		FEEDMO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1	ZINC000269272597	329502638	/nfs/dbraw/zinc/50/26/38/329502638.db2.gz	HCRGIVLEELVDMN-UHFFFAOYSA-N	1	1	368.393	2.376	20	30		FEEDMO
Cn1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(-c2ccncc2)n1	ZINC000271019763	329654974	/nfs/dbraw/zinc/65/49/74/329654974.db2.gz	AHKJMSVSQDXDJT-UHFFFAOYSA-N	1	1	359.437	2.071	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)CC2)o1	ZINC000276455370	330153701	/nfs/dbraw/zinc/15/37/01/330153701.db2.gz	NXVFKEXUIVLJGS-MRXNPFEDSA-N	1	1	373.501	2.308	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1F	ZINC000805074398	674317175	/nfs/dbraw/zinc/31/71/75/674317175.db2.gz	JIQVQNXJSZTKQV-VBQJREDUSA-N	1	1	365.836	2.316	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](O)Cc2cccc(Cl)c2)n1	ZINC000805754647	674352253	/nfs/dbraw/zinc/35/22/53/674352253.db2.gz	YLNZDGXOZIZOEA-IBGZPJMESA-N	1	1	361.873	2.222	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CCOC)C[C@@H](O)Cc2cccc(Cl)c2)n1	ZINC000805754647	674352251	/nfs/dbraw/zinc/35/22/51/674352251.db2.gz	YLNZDGXOZIZOEA-IBGZPJMESA-N	1	1	361.873	2.222	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000805795836	674354647	/nfs/dbraw/zinc/35/46/47/674354647.db2.gz	XBDBYQRNYHPZCT-KXBFYZLASA-N	1	1	351.491	2.400	20	30		FEEDMO
C#CC[N@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C1CCCC1	ZINC000155771996	545568468	/nfs/dbraw/zinc/56/84/68/545568468.db2.gz	GSDWGAIOEINYNZ-UHFFFAOYSA-N	1	1	367.493	2.285	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000155929304	545584532	/nfs/dbraw/zinc/58/45/32/545584532.db2.gz	KGTIUXUXCYPVMX-SCLBCKFNSA-N	1	1	370.428	2.111	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000156648362	545641890	/nfs/dbraw/zinc/64/18/90/545641890.db2.gz	LMNZPGRKTAQYAH-AEFFLSMTSA-N	1	1	356.470	2.122	20	30		FEEDMO
C[C@H](O)C[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2	ZINC000159450943	545955136	/nfs/dbraw/zinc/95/51/36/545955136.db2.gz	RACVXBILPQNWDQ-HNNXBMFYSA-N	1	1	366.465	2.479	20	30		FEEDMO
C[C@H](O)C[N@@H+](C)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2	ZINC000159450943	545955140	/nfs/dbraw/zinc/95/51/40/545955140.db2.gz	RACVXBILPQNWDQ-HNNXBMFYSA-N	1	1	366.465	2.479	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000159841673	545984849	/nfs/dbraw/zinc/98/48/49/545984849.db2.gz	AOINVDFRUZDOLE-KRWDZBQOSA-N	1	1	373.476	2.403	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)CNc2cccc(C#N)c2)[C@H](C)C1	ZINC000160902005	546083382	/nfs/dbraw/zinc/08/33/82/546083382.db2.gz	JBPPINIYOBCZBL-APWZRJJASA-N	1	1	358.486	2.223	20	30		FEEDMO
CC(C)(C)[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C(N)=O	ZINC000162807201	546141507	/nfs/dbraw/zinc/14/15/07/546141507.db2.gz	YGQJUIQQFPRLOX-OAHLLOKOSA-N	1	1	350.850	2.076	20	30		FEEDMO
N#CC1(CS(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1	ZINC000164974197	546152106	/nfs/dbraw/zinc/15/21/06/546152106.db2.gz	NCXDUYYBDDYIQS-CQSZACIVSA-N	1	1	353.513	2.183	20	30		FEEDMO
CCOC(=O)c1c[nH+]ccc1N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000479378644	561188468	/nfs/dbraw/zinc/18/84/68/561188468.db2.gz	NGKHPVMWILAUDM-UHFFFAOYSA-N	1	1	350.422	2.452	20	30		FEEDMO
CCOC(=O)c1cnccc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000479378644	561188469	/nfs/dbraw/zinc/18/84/69/561188469.db2.gz	NGKHPVMWILAUDM-UHFFFAOYSA-N	1	1	350.422	2.452	20	30		FEEDMO
CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000174554406	546299010	/nfs/dbraw/zinc/29/90/10/546299010.db2.gz	MLHPNBWMQFEGMU-MRXNPFEDSA-N	1	1	358.490	2.381	20	30		FEEDMO
CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000174554406	546299013	/nfs/dbraw/zinc/29/90/13/546299013.db2.gz	MLHPNBWMQFEGMU-MRXNPFEDSA-N	1	1	358.490	2.381	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C(N)=O)sc2c1CCCCC2	ZINC000175602032	546318414	/nfs/dbraw/zinc/31/84/14/546318414.db2.gz	ABBZSPSAEAXPBU-AWEZNQCLSA-N	1	1	360.483	2.167	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C(N)=O)sc2c1CCCCC2	ZINC000175602032	546318416	/nfs/dbraw/zinc/31/84/16/546318416.db2.gz	ABBZSPSAEAXPBU-AWEZNQCLSA-N	1	1	360.483	2.167	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(C#N)c2C)CC1=O	ZINC000178625881	546822227	/nfs/dbraw/zinc/82/22/27/546822227.db2.gz	BSRIZBVBJMJJPE-SJORKVTESA-N	1	1	354.454	2.138	20	30		FEEDMO
N#Cc1ccccc1/C=C/C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1	ZINC000179486177	546963720	/nfs/dbraw/zinc/96/37/20/546963720.db2.gz	AEFLCALIIUISLQ-HZYCFNBMSA-N	1	1	361.445	2.323	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(c3cccnn3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000180092281	547049842	/nfs/dbraw/zinc/04/98/42/547049842.db2.gz	UHFRHGUICODYPE-UHFFFAOYSA-N	1	1	373.464	2.461	20	30		FEEDMO
C=CCNC(=O)CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000180396649	547100499	/nfs/dbraw/zinc/10/04/99/547100499.db2.gz	MAZACCXJHXRBIC-MRXNPFEDSA-N	1	1	358.486	2.020	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000180405889	547102858	/nfs/dbraw/zinc/10/28/58/547102858.db2.gz	UAGUBZPGFRKHKX-ZBFHGGJFSA-N	1	1	354.454	2.266	20	30		FEEDMO
C=CCNC(=O)c1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)nc1	ZINC000181144872	547258377	/nfs/dbraw/zinc/25/83/77/547258377.db2.gz	MAUAJRXHAOWUFP-IBGZPJMESA-N	1	1	366.465	2.176	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000181303257	547289660	/nfs/dbraw/zinc/28/96/60/547289660.db2.gz	RXWLUPFGIWZQGB-RDJZCZTQSA-N	1	1	366.469	2.412	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1	ZINC000181640559	547350451	/nfs/dbraw/zinc/35/04/51/547350451.db2.gz	BFQRYOQSJYGFEY-HZPDHXFCSA-N	1	1	362.493	2.309	20	30		FEEDMO
C=CCNC(=O)[C@H](C)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1	ZINC000181640515	547350958	/nfs/dbraw/zinc/35/09/58/547350958.db2.gz	BFQRYOQSJYGFEY-CVEARBPZSA-N	1	1	362.493	2.309	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCCC1	ZINC000182668942	547530260	/nfs/dbraw/zinc/53/02/60/547530260.db2.gz	VGZGDXYTNNMCEJ-LJQANCHMSA-N	1	1	358.461	2.409	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@@H]1C	ZINC000182818696	547557116	/nfs/dbraw/zinc/55/71/16/547557116.db2.gz	LTOBDCYZXBJNGG-MDZRGWNJSA-N	1	1	358.461	2.265	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCCCOc1cccc(C#N)c1	ZINC000186882754	548211752	/nfs/dbraw/zinc/21/17/52/548211752.db2.gz	JKABNIUDDDEUBT-KRWDZBQOSA-N	1	1	373.497	2.411	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1	ZINC000187347399	548256249	/nfs/dbraw/zinc/25/62/49/548256249.db2.gz	UEEZSFPBCOURNN-QGZVFWFLSA-N	1	1	371.481	2.265	20	30		FEEDMO
C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1(O)CCOCC1	ZINC000188831735	548288504	/nfs/dbraw/zinc/28/85/04/548288504.db2.gz	HPGCMCSMXLIYDI-UHFFFAOYSA-N	1	1	354.454	2.437	20	30		FEEDMO
C=CCN(CCOC)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000189250740	548298596	/nfs/dbraw/zinc/29/85/96/548298596.db2.gz	QRZLEDGYHVCZFN-GOSISDBHSA-N	1	1	360.502	2.041	20	30		FEEDMO
C=CCN(CCOC)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000189250720	548299382	/nfs/dbraw/zinc/29/93/82/548299382.db2.gz	QRZLEDGYHVCZFN-SFHVURJKSA-N	1	1	360.502	2.041	20	30		FEEDMO
Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)cn2)C1	ZINC000190563197	548328586	/nfs/dbraw/zinc/32/85/86/548328586.db2.gz	NNHFAZOZSCWYMJ-OAHLLOKOSA-N	1	1	355.467	2.312	20	30		FEEDMO
N#Cc1ccc(C[N@@H+](CC(=O)NC(=O)NCc2ccco2)C2CC2)cc1	ZINC000194967360	548557841	/nfs/dbraw/zinc/55/78/41/548557841.db2.gz	CKBBMXBXWCKZDY-UHFFFAOYSA-N	1	1	352.394	2.142	20	30		FEEDMO
N#Cc1ccc(C[N@H+](CC(=O)NC(=O)NCc2ccco2)C2CC2)cc1	ZINC000194967360	548557845	/nfs/dbraw/zinc/55/78/45/548557845.db2.gz	CKBBMXBXWCKZDY-UHFFFAOYSA-N	1	1	352.394	2.142	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[C@@H](Cc1ccccc1)C(=O)OCC	ZINC000487354983	561368094	/nfs/dbraw/zinc/36/80/94/561368094.db2.gz	OXTCRLWTICSREQ-QRQLOZEOSA-N	1	1	358.482	2.373	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1	ZINC000245511527	548937141	/nfs/dbraw/zinc/93/71/41/548937141.db2.gz	YJZPOGQOFAEEOP-SJLPKXTDSA-N	1	1	357.454	2.048	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)CC1	ZINC000246165363	549067489	/nfs/dbraw/zinc/06/74/89/549067489.db2.gz	UVZWKWGPZSJOMI-SLYNCCJLSA-N	1	1	354.498	2.372	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)CC1	ZINC000246165363	549067494	/nfs/dbraw/zinc/06/74/94/549067494.db2.gz	UVZWKWGPZSJOMI-SLYNCCJLSA-N	1	1	354.498	2.372	20	30		FEEDMO
CC[C@@H](c1ccncc1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000246176195	549070078	/nfs/dbraw/zinc/07/00/78/549070078.db2.gz	VWKJVJNPTXDAPT-RBUKOAKNSA-N	1	1	357.502	2.157	20	30		FEEDMO
CC[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000246176195	549070083	/nfs/dbraw/zinc/07/00/83/549070083.db2.gz	VWKJVJNPTXDAPT-RBUKOAKNSA-N	1	1	357.502	2.157	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C(=O)OC)C[C@@H](c2ccccc2)C1	ZINC000246207608	549078058	/nfs/dbraw/zinc/07/80/58/549078058.db2.gz	BUZPMYAUBJHRIZ-QZTJIDSGSA-N	1	1	357.454	2.027	20	30		FEEDMO
CCCN(CCC)S(=O)(=O)N1CC[NH+](CC(C)(C)CCC#N)CC1	ZINC000488545404	561391677	/nfs/dbraw/zinc/39/16/77/561391677.db2.gz	OZPWPKFOFQSHJF-UHFFFAOYSA-N	1	1	358.552	2.301	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@]2(CCOC2)C1	ZINC000246745342	549202878	/nfs/dbraw/zinc/20/28/78/549202878.db2.gz	BDHXIWGAQHZQPS-OXJNMPFZSA-N	1	1	357.454	2.443	20	30		FEEDMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cn3ccccc3c2C#N)C1	ZINC000247879485	549388796	/nfs/dbraw/zinc/38/87/96/549388796.db2.gz	PLTGDROPBRMJDE-HOTGVXAUSA-N	1	1	354.454	2.174	20	30		FEEDMO
C=C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccccc1CN1CCCC1=O	ZINC000489441234	561411250	/nfs/dbraw/zinc/41/12/50/561411250.db2.gz	QPHKOMDRBKPBKO-LJQANCHMSA-N	1	1	355.482	2.466	20	30		FEEDMO
CC[C@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CC[N@H+]1Cc1ccccc1	ZINC000248715017	549489453	/nfs/dbraw/zinc/48/94/53/549489453.db2.gz	FLPLFARFYPXSNO-PZJWPPBQSA-N	1	1	354.498	2.391	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1	ZINC000249757896	549625572	/nfs/dbraw/zinc/62/55/72/549625572.db2.gz	LHHKGTVHQRNXOF-IAGOWNOFSA-N	1	1	372.513	2.408	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1	ZINC000249757896	549625574	/nfs/dbraw/zinc/62/55/74/549625574.db2.gz	LHHKGTVHQRNXOF-IAGOWNOFSA-N	1	1	372.513	2.408	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000250485323	549642257	/nfs/dbraw/zinc/64/22/57/549642257.db2.gz	KVOUWBUQTCPQMC-QXAKKESOSA-N	1	1	373.497	2.315	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C1	ZINC000250569208	549642465	/nfs/dbraw/zinc/64/24/65/549642465.db2.gz	VUKZZRAMCUBYQF-IXDOHACOSA-N	1	1	350.507	2.011	20	30		FEEDMO
C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000253378265	549685034	/nfs/dbraw/zinc/68/50/34/549685034.db2.gz	ZUMJDVBNIYCNSM-SFHVURJKSA-N	1	1	354.498	2.467	20	30		FEEDMO
C[C@@H](C(=O)N1CCCCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000253378265	549685036	/nfs/dbraw/zinc/68/50/36/549685036.db2.gz	ZUMJDVBNIYCNSM-SFHVURJKSA-N	1	1	354.498	2.467	20	30		FEEDMO
C[C@@H](C(=O)N1CCCCC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000253378265	549685039	/nfs/dbraw/zinc/68/50/39/549685039.db2.gz	ZUMJDVBNIYCNSM-SFHVURJKSA-N	1	1	354.498	2.467	20	30		FEEDMO
C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@@H]1CN(C2CC2)C[C@H]1C	ZINC000262010026	549779443	/nfs/dbraw/zinc/77/94/43/549779443.db2.gz	WJQYZYLBFQEYPU-RDTXWAMCSA-N	1	1	353.470	2.489	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c(Cl)c1	ZINC000490507142	561434194	/nfs/dbraw/zinc/43/41/94/561434194.db2.gz	HGLCEGBWLUESLM-CYBMUJFWSA-N	1	1	360.845	2.283	20	30		FEEDMO
CCCc1nc(CO[NH+]=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C)no1	ZINC000264827302	550001984	/nfs/dbraw/zinc/00/19/84/550001984.db2.gz	HFZPFULMEWAMRQ-LLVKDONJSA-N	1	1	355.439	2.314	20	30		FEEDMO
CC(C)c1nc(CO[NH+]=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C)no1	ZINC000264825678	550002151	/nfs/dbraw/zinc/00/21/51/550002151.db2.gz	GVLXGYUFFPWAPB-LLVKDONJSA-N	1	1	355.439	2.485	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@@H+](C)C1CC1	ZINC000265347365	550008859	/nfs/dbraw/zinc/00/88/59/550008859.db2.gz	APPHSBUTOQMHMH-CYBMUJFWSA-N	1	1	360.483	2.230	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cc(OC)c(OC(F)F)c(OC)c2)CC1	ZINC000266281044	550018991	/nfs/dbraw/zinc/01/89/91/550018991.db2.gz	KVHGBCBXDCURKA-UHFFFAOYSA-N	1	1	368.380	2.086	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1	ZINC000268260348	550041160	/nfs/dbraw/zinc/04/11/60/550041160.db2.gz	KXSZJDCUJXOORJ-ROUUACIJSA-N	1	1	353.422	2.356	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1	ZINC000268260348	550041164	/nfs/dbraw/zinc/04/11/64/550041164.db2.gz	KXSZJDCUJXOORJ-ROUUACIJSA-N	1	1	353.422	2.356	20	30		FEEDMO
C=C(C)[C@H](CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)OCC	ZINC000270104344	550249575	/nfs/dbraw/zinc/24/95/75/550249575.db2.gz	RFCABEYKRBXWJZ-IBGZPJMESA-N	1	1	360.502	2.081	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)nn1CCC#N	ZINC000271192385	550350491	/nfs/dbraw/zinc/35/04/91/550350491.db2.gz	SLDHVBRXDPUZSP-YESZJQIVSA-N	1	1	374.489	2.211	20	30		FEEDMO
C[C@H](CCO)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1	ZINC000271382485	550370562	/nfs/dbraw/zinc/37/05/62/550370562.db2.gz	ILCSFFOATBPWCQ-QGZVFWFLSA-N	1	1	351.450	2.448	20	30		FEEDMO
COc1cccc(C[N@@H+](CCC(=O)N(C)CCC#N)C[C@H]2CCCO2)c1	ZINC000271492976	550379563	/nfs/dbraw/zinc/37/95/63/550379563.db2.gz	FSVBEJXJSDFAJK-LJQANCHMSA-N	1	1	359.470	2.438	20	30		FEEDMO
C#CC[C@@H](NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C)c1ccccc1	ZINC000271696286	550396203	/nfs/dbraw/zinc/39/62/03/550396203.db2.gz	MQSGDPOLYYRMJO-SJLPKXTDSA-N	1	1	357.454	2.030	20	30		FEEDMO
C#CC[C@@H](NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C)c1ccccc1	ZINC000271696286	550396204	/nfs/dbraw/zinc/39/62/04/550396204.db2.gz	MQSGDPOLYYRMJO-SJLPKXTDSA-N	1	1	357.454	2.030	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)c(F)c1	ZINC000494273060	561466042	/nfs/dbraw/zinc/46/60/42/561466042.db2.gz	FAEGZPLAWDWZIZ-SNVBAGLBSA-N	1	1	372.238	2.420	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)c(F)c1	ZINC000494273060	561466043	/nfs/dbraw/zinc/46/60/43/561466043.db2.gz	FAEGZPLAWDWZIZ-SNVBAGLBSA-N	1	1	372.238	2.420	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21	ZINC000272567947	550458184	/nfs/dbraw/zinc/45/81/84/550458184.db2.gz	VAHVYWVYYAPCCB-SJORKVTESA-N	1	1	357.454	2.278	20	30		FEEDMO
C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)(C#N)CC1	ZINC000272619716	550461213	/nfs/dbraw/zinc/46/12/13/550461213.db2.gz	UORPPRUWURCOJX-IEBWSBKVSA-N	1	1	354.498	2.391	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21	ZINC000273241879	550491293	/nfs/dbraw/zinc/49/12/93/550491293.db2.gz	WVWOHXFBYCNBCQ-RDJZCZTQSA-N	1	1	358.442	2.141	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1C	ZINC000275071754	550570256	/nfs/dbraw/zinc/57/02/56/550570256.db2.gz	AKBHRXLWQVSNDZ-CQSZACIVSA-N	1	1	371.403	2.474	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1C	ZINC000275071754	550570257	/nfs/dbraw/zinc/57/02/57/550570257.db2.gz	AKBHRXLWQVSNDZ-CQSZACIVSA-N	1	1	371.403	2.474	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3cc[nH]c(=O)c3C2)c(OC)c1	ZINC000277000851	550620308	/nfs/dbraw/zinc/62/03/08/550620308.db2.gz	WHAZZLWTPRKAJT-KRWDZBQOSA-N	1	1	370.449	2.322	20	30		FEEDMO
C[C@H](NS(=O)(=O)c1cccnc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000277006717	550621010	/nfs/dbraw/zinc/62/10/10/550621010.db2.gz	INFYJVBFTMDBBO-DOTOQJQBSA-N	1	1	370.478	2.142	20	30		FEEDMO
C#CCOc1ccccc1CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000278532179	550796113	/nfs/dbraw/zinc/79/61/13/550796113.db2.gz	ZYLUNHPXMJSLSM-KRWDZBQOSA-N	1	1	371.481	2.093	20	30		FEEDMO
C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccco1	ZINC000279161015	550860321	/nfs/dbraw/zinc/86/03/21/550860321.db2.gz	BGWGTBZVTZBDHD-UHFFFAOYSA-N	1	1	353.422	2.492	20	30		FEEDMO
C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NCc1ccco1	ZINC000279161015	550860323	/nfs/dbraw/zinc/86/03/23/550860323.db2.gz	BGWGTBZVTZBDHD-UHFFFAOYSA-N	1	1	353.422	2.492	20	30		FEEDMO
COC[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](C)O1	ZINC000279362852	550881612	/nfs/dbraw/zinc/88/16/12/550881612.db2.gz	HRWNZAOSBYAXAP-YJBOKZPZSA-N	1	1	355.442	2.094	20	30		FEEDMO
COC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](C)O1	ZINC000279362852	550881613	/nfs/dbraw/zinc/88/16/13/550881613.db2.gz	HRWNZAOSBYAXAP-YJBOKZPZSA-N	1	1	355.442	2.094	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)cc1	ZINC000279658433	550913642	/nfs/dbraw/zinc/91/36/42/550913642.db2.gz	CUBROXKWYYWWKG-FQEVSTJZSA-N	1	1	352.482	2.219	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CC)CCOc2ccc(OC)cc2[N+](=O)[O-])n1	ZINC000279687371	550916861	/nfs/dbraw/zinc/91/68/61/550916861.db2.gz	HHPBRAPXJXHNHM-UHFFFAOYSA-N	1	1	358.398	2.334	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CC)CCOc2ccc(OC)cc2[N+](=O)[O-])n1	ZINC000279687371	550916862	/nfs/dbraw/zinc/91/68/62/550916862.db2.gz	HHPBRAPXJXHNHM-UHFFFAOYSA-N	1	1	358.398	2.334	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1(CCO)CCOCC1	ZINC000495455793	561488433	/nfs/dbraw/zinc/48/84/33/561488433.db2.gz	RZLDRLPUAKPXOC-UHFFFAOYSA-N	1	1	351.834	2.014	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000281078640	551061356	/nfs/dbraw/zinc/06/13/56/551061356.db2.gz	OWMGXSQCSOKHTB-UHFFFAOYSA-N	1	1	361.442	2.338	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000281078640	551061357	/nfs/dbraw/zinc/06/13/57/551061357.db2.gz	OWMGXSQCSOKHTB-UHFFFAOYSA-N	1	1	361.442	2.338	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1=O	ZINC000281227946	551075816	/nfs/dbraw/zinc/07/58/16/551075816.db2.gz	KVOVZSWXGFLHRL-KRWDZBQOSA-N	1	1	360.454	2.074	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000281260597	551078828	/nfs/dbraw/zinc/07/88/28/551078828.db2.gz	VKTBFAGKKRDTCJ-DYESRHJHSA-N	1	1	370.497	2.397	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1=O	ZINC000281282755	551081079	/nfs/dbraw/zinc/08/10/79/551081079.db2.gz	IUHGUVAUZBQLCY-YZGWKJHDSA-N	1	1	358.482	2.160	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1	ZINC000281637929	551124055	/nfs/dbraw/zinc/12/40/55/551124055.db2.gz	XXIPXMGQPVXUJA-SXLOBPIMSA-N	1	1	358.482	2.282	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC(=O)NCc1cccs1	ZINC000496964917	561496624	/nfs/dbraw/zinc/49/66/24/561496624.db2.gz	CBCPMTJAEQXMMC-UHFFFAOYSA-N	1	1	356.451	2.197	20	30		FEEDMO
CC1(C#N)CN(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C1	ZINC000497207110	561497738	/nfs/dbraw/zinc/49/77/38/561497738.db2.gz	UDIZQVALXVPVAB-UHFFFAOYSA-N	1	1	367.453	2.351	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000497423151	561500654	/nfs/dbraw/zinc/50/06/54/561500654.db2.gz	YIBOETVCHLQPIT-SFHVURJKSA-N	1	1	370.497	2.049	20	30		FEEDMO
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000282443508	551229952	/nfs/dbraw/zinc/22/99/52/551229952.db2.gz	ZRVCRUPIESOTAL-NVXWUHKLSA-N	1	1	372.517	2.055	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccc(Cl)cc1	ZINC000282653143	551256253	/nfs/dbraw/zinc/25/62/53/551256253.db2.gz	MDRCGTZNRVSQDN-INIZCTEOSA-N	1	1	364.858	2.188	20	30		FEEDMO
CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000282676578	551258741	/nfs/dbraw/zinc/25/87/41/551258741.db2.gz	OBENCKUFZOBAJH-GFCCVEGCSA-N	1	1	361.389	2.292	20	30		FEEDMO
CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000282676578	551258743	/nfs/dbraw/zinc/25/87/43/551258743.db2.gz	OBENCKUFZOBAJH-GFCCVEGCSA-N	1	1	361.389	2.292	20	30		FEEDMO
Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CCN(c2ccc(C#N)cn2)CC1	ZINC000282760912	551267537	/nfs/dbraw/zinc/26/75/37/551267537.db2.gz	IHIJIBZHDDJFSP-UHFFFAOYSA-N	1	1	373.464	2.473	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+]Cc1cnn(Cc2ccccc2)c1Cl	ZINC000283821892	551432888	/nfs/dbraw/zinc/43/28/88/551432888.db2.gz	FMEJXBMUFGYENR-UHFFFAOYSA-N	1	1	353.875	2.275	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H](C)c1ccc(C#N)cc1	ZINC000284074695	551479330	/nfs/dbraw/zinc/47/93/30/551479330.db2.gz	RONMEPRZHNRGFI-CRAIPNDOSA-N	1	1	356.470	2.116	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1	ZINC000284576281	551580987	/nfs/dbraw/zinc/58/09/87/551580987.db2.gz	KNWHGCNJICRXFX-RYUDHWBXSA-N	1	1	370.375	2.496	20	30		FEEDMO
Cc1onc(CC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1C#N	ZINC000498530727	561527172	/nfs/dbraw/zinc/52/71/72/561527172.db2.gz	XBMHEEZHEIDKKR-UHFFFAOYSA-N	1	1	352.438	2.350	20	30		FEEDMO
C#CC(C)(C)[N@H+](C)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000285580743	551778011	/nfs/dbraw/zinc/77/80/11/551778011.db2.gz	AVFOIJCAUCWJSH-UHFFFAOYSA-N	1	1	369.509	2.070	20	30		FEEDMO
C#CC(C)(C)[N@@H+](C)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000285580743	551778013	/nfs/dbraw/zinc/77/80/13/551778013.db2.gz	AVFOIJCAUCWJSH-UHFFFAOYSA-N	1	1	369.509	2.070	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)C1CC1	ZINC000286189080	551859017	/nfs/dbraw/zinc/85/90/17/551859017.db2.gz	XLCAFJCSVRAORF-RCLSDMTESA-N	1	1	353.466	2.299	20	30		FEEDMO
COCCOCC[N@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000289005941	552251053	/nfs/dbraw/zinc/25/10/53/552251053.db2.gz	MUINPBGVXVMTKJ-UHFFFAOYSA-N	1	1	367.877	2.490	20	30		FEEDMO
COCCOCC[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000289005941	552251055	/nfs/dbraw/zinc/25/10/55/552251055.db2.gz	MUINPBGVXVMTKJ-UHFFFAOYSA-N	1	1	367.877	2.490	20	30		FEEDMO
N#Cc1ccc(OCC[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)cc1	ZINC000289495633	552331122	/nfs/dbraw/zinc/33/11/22/552331122.db2.gz	PNUFCOSPPJYACO-CQSZACIVSA-N	1	1	355.360	2.328	20	30		FEEDMO
CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCOC(C)(C)C1	ZINC000289995975	552411320	/nfs/dbraw/zinc/41/13/20/552411320.db2.gz	YQLHJERNAGPLEK-HNNXBMFYSA-N	1	1	351.472	2.006	20	30		FEEDMO
CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCOC(C)(C)C1	ZINC000289995975	552411322	/nfs/dbraw/zinc/41/13/22/552411322.db2.gz	YQLHJERNAGPLEK-HNNXBMFYSA-N	1	1	351.472	2.006	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCNC(=O)CCCCOc1cccc(C#N)c1	ZINC000290000506	552412444	/nfs/dbraw/zinc/41/24/44/552412444.db2.gz	DWROAWNBMHTHBD-UHFFFAOYSA-N	1	1	360.502	2.107	20	30		FEEDMO
CN(CCCNC(=O)CCCCOc1cccc(C#N)c1)CC[NH+](C)C	ZINC000290000506	552412445	/nfs/dbraw/zinc/41/24/45/552412445.db2.gz	DWROAWNBMHTHBD-UHFFFAOYSA-N	1	1	360.502	2.107	20	30		FEEDMO
CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccn(CCC#N)n3)c2C1	ZINC000290468045	552483560	/nfs/dbraw/zinc/48/35/60/552483560.db2.gz	KZTGTVZGIZKEJJ-UHFFFAOYSA-N	1	1	366.425	2.100	20	30		FEEDMO
CCC[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccn(CCC#N)n3)c2C1	ZINC000290468045	552483562	/nfs/dbraw/zinc/48/35/62/552483562.db2.gz	KZTGTVZGIZKEJJ-UHFFFAOYSA-N	1	1	366.425	2.100	20	30		FEEDMO
C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C	ZINC000290564356	552498976	/nfs/dbraw/zinc/49/89/76/552498976.db2.gz	ZKYUETJTESRHNS-RHSMWYFYSA-N	1	1	361.417	2.165	20	30		FEEDMO
CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)c1	ZINC000290847096	552548569	/nfs/dbraw/zinc/54/85/69/552548569.db2.gz	QUKPMFJSFZSZLL-UHFFFAOYSA-N	1	1	368.412	2.404	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC(F)(F)[C@H](CO)C2)c(OC)c1	ZINC000291777285	552660614	/nfs/dbraw/zinc/66/06/14/552660614.db2.gz	MADLDYICQQIURR-JKSUJKDBSA-N	1	1	371.424	2.113	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](CCC(=O)Nc3cc(N)ccc3F)C2)nc1	ZINC000292037262	552686972	/nfs/dbraw/zinc/68/69/72/552686972.db2.gz	ADWBGUGUZHMGHJ-OAHLLOKOSA-N	1	1	369.400	2.156	20	30		FEEDMO
C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC1	ZINC000292063750	552689745	/nfs/dbraw/zinc/68/97/45/552689745.db2.gz	CEDKUWDFEMMJBX-KBXCAEBGSA-N	1	1	354.454	2.196	20	30		FEEDMO
C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC1	ZINC000292063750	552689747	/nfs/dbraw/zinc/68/97/47/552689747.db2.gz	CEDKUWDFEMMJBX-KBXCAEBGSA-N	1	1	354.454	2.196	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2)C1	ZINC000292074539	552691024	/nfs/dbraw/zinc/69/10/24/552691024.db2.gz	BVTAHGCYQLOHLT-NRFANRHFSA-N	1	1	370.472	2.468	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)C2=O)cc1	ZINC000292248574	552708830	/nfs/dbraw/zinc/70/88/30/552708830.db2.gz	QSCXRFSIGBAQHZ-OALUTQOASA-N	1	1	373.416	2.084	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](Oc4ccc(C#N)cn4)C3)C2=O)cc1	ZINC000292248574	552708832	/nfs/dbraw/zinc/70/88/32/552708832.db2.gz	QSCXRFSIGBAQHZ-OALUTQOASA-N	1	1	373.416	2.084	20	30		FEEDMO
N#Cc1ccc(CN2CCC[N@H+](C[C@@H](O)COCC(F)(F)F)CC2)cc1	ZINC000292545632	552736986	/nfs/dbraw/zinc/73/69/86/552736986.db2.gz	WWBPVPJILQGEKI-QGZVFWFLSA-N	1	1	371.403	2.006	20	30		FEEDMO
C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)C2)C1	ZINC000292727133	552753115	/nfs/dbraw/zinc/75/31/15/552753115.db2.gz	GGFBOEVJJFLGRF-INIZCTEOSA-N	1	1	353.875	2.318	20	30		FEEDMO
C=CCC(F)(F)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000293342084	552813452	/nfs/dbraw/zinc/81/34/52/552813452.db2.gz	SGOQCTWDPKZMSS-UHFFFAOYSA-N	1	1	367.396	2.233	20	30		FEEDMO
C[C@@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H](C)[N@@H+]1C	ZINC000293352913	552814688	/nfs/dbraw/zinc/81/46/88/552814688.db2.gz	HXRQUUABXQBYRB-GASCZTMLSA-N	1	1	367.415	2.198	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000293522225	552832238	/nfs/dbraw/zinc/83/22/38/552832238.db2.gz	YMWYQDMSJWHHBW-AWEZNQCLSA-N	1	1	354.454	2.138	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1sccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000293903307	552866463	/nfs/dbraw/zinc/86/64/63/552866463.db2.gz	WNMCOCTVIUJLLN-TZMCWYRMSA-N	1	1	360.483	2.327	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@@H]1CCCS(=O)(=O)C1)C(C)C	ZINC000294678236	552925951	/nfs/dbraw/zinc/92/59/51/552925951.db2.gz	HXUVFDDCPZYBMI-IRXDYDNUSA-N	1	1	356.532	2.016	20	30		FEEDMO
CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000295096802	552958839	/nfs/dbraw/zinc/95/88/39/552958839.db2.gz	JWSBDILYIOSYJR-QGZVFWFLSA-N	1	1	353.426	2.231	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000295209867	552970217	/nfs/dbraw/zinc/97/02/17/552970217.db2.gz	UNECBBHLOHCVCC-HNNXBMFYSA-N	1	1	367.490	2.485	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](C)C[C@@H](O)c1ccccc1Br	ZINC000295256325	552976725	/nfs/dbraw/zinc/97/67/25/552976725.db2.gz	GKHWWDCBKAABBQ-OAHLLOKOSA-N	1	1	368.275	2.176	20	30		FEEDMO
C#Cc1ccc(CNC(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1	ZINC000295432654	553006126	/nfs/dbraw/zinc/00/61/26/553006126.db2.gz	KVZCMDJMLOISOK-UHFFFAOYSA-N	1	1	371.481	2.273	20	30		FEEDMO
N#C[C@@]1(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC12CCCC2	ZINC000295721266	553050094	/nfs/dbraw/zinc/05/00/94/553050094.db2.gz	UHLPLUINPDKFHO-WIYYLYMNSA-N	1	1	353.466	2.343	20	30		FEEDMO
Cc1nsc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1C#N	ZINC000297291886	553274535	/nfs/dbraw/zinc/27/45/35/553274535.db2.gz	AOGBEFCSKWDTIR-QWRGUYRKSA-N	1	1	351.476	2.333	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21	ZINC000297484323	553298291	/nfs/dbraw/zinc/29/82/91/553298291.db2.gz	MUUIWYAKUJCMPE-VAMGGRTRSA-N	1	1	355.482	2.156	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000297684414	553324572	/nfs/dbraw/zinc/32/45/72/553324572.db2.gz	BAQDDYBKABNOTF-MOPGFXCFSA-N	1	1	355.482	2.144	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000297803675	553340924	/nfs/dbraw/zinc/34/09/24/553340924.db2.gz	OZGDZGJZVAZLMJ-KRWDZBQOSA-N	1	1	361.486	2.027	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(C#N)nc(C2CC2)n1	ZINC000601117933	553349715	/nfs/dbraw/zinc/34/97/15/553349715.db2.gz	AQHRMOXXUODTPY-OAHLLOKOSA-N	1	1	363.469	2.243	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1	ZINC000298504693	553433583	/nfs/dbraw/zinc/43/35/83/553433583.db2.gz	YNTVECPKNLTXAP-LJQANCHMSA-N	1	1	370.497	2.097	20	30		FEEDMO
C[S@](=O)C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccccc1	ZINC000298851473	553481129	/nfs/dbraw/zinc/48/11/29/553481129.db2.gz	IPORPAPMNVTRFP-RKPUJPDHSA-N	1	1	373.503	2.434	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1	ZINC000299179181	553525958	/nfs/dbraw/zinc/52/59/58/553525958.db2.gz	PJTBQWIRTMGHAI-LJQANCHMSA-N	1	1	357.498	2.044	20	30		FEEDMO
C#CCN(CC)C(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1	ZINC000299191739	553527975	/nfs/dbraw/zinc/52/79/75/553527975.db2.gz	FCWQHDDXJAZNFB-UHFFFAOYSA-N	1	1	352.438	2.475	20	30		FEEDMO
N#CC1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)CCCC1	ZINC000299646365	553595321	/nfs/dbraw/zinc/59/53/21/553595321.db2.gz	UKCNNSVNVDGTGW-INIZCTEOSA-N	1	1	354.454	2.406	20	30		FEEDMO
Cc1nnc(N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C#N)c1C	ZINC000302477322	553717876	/nfs/dbraw/zinc/71/78/76/553717876.db2.gz	VPKWWSWMBBYQMG-HXUWFJFHSA-N	1	1	351.454	2.038	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(c3c(C#N)cccc3C#N)CC2)CC1	ZINC000302880525	553739328	/nfs/dbraw/zinc/73/93/28/553739328.db2.gz	IIVOTJHCQKIWDY-UHFFFAOYSA-N	1	1	365.481	2.201	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1	ZINC000316623759	553761654	/nfs/dbraw/zinc/76/16/54/553761654.db2.gz	LPPIDUOVWISCTQ-UHFFFAOYSA-N	1	1	367.203	2.075	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCc2c1cnn2C	ZINC000328660160	553803691	/nfs/dbraw/zinc/80/36/91/553803691.db2.gz	UXCVJXWLVMEBHW-MRXNPFEDSA-N	1	1	363.506	2.002	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC(=O)N(C)[C@@H](C)C3)cc2)C1	ZINC000328734071	553814011	/nfs/dbraw/zinc/81/40/11/553814011.db2.gz	YIEYATNAXHOGIZ-SJORKVTESA-N	1	1	372.513	2.495	20	30		FEEDMO
O=C(Nc1ccccc1)N1CC[C@@H](NC(=O)N2CC[NH+](C3CC3)CC2)C1	ZINC000328739344	553814929	/nfs/dbraw/zinc/81/49/29/553814929.db2.gz	HVVQTTRNTPAQCL-MRXNPFEDSA-N	1	1	357.458	2.000	20	30		FEEDMO
Cc1ccccc1C(=O)NC1CCN(C(=O)C[N@H+]2CCCO[C@@H](C)C2)CC1	ZINC000328802063	553824817	/nfs/dbraw/zinc/82/48/17/553824817.db2.gz	AQNIGBSYSUUDQP-KRWDZBQOSA-N	1	1	373.497	2.401	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CCCC23CCOCC3)CC[N@H+]1C[C@@H](C)O	ZINC000328822166	553827935	/nfs/dbraw/zinc/82/79/35/553827935.db2.gz	RKHPYZBBZTZSLF-BRWVUGGUSA-N	1	1	353.507	2.027	20	30		FEEDMO
C[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(-n2ccnn2)cc1	ZINC000328866784	553835606	/nfs/dbraw/zinc/83/56/06/553835606.db2.gz	NYELPRXASZBICJ-BMGDILEWSA-N	1	1	354.458	2.459	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@@H]3COCCN3C)cc2)C[C@H](C)O1	ZINC000328930247	553846933	/nfs/dbraw/zinc/84/69/33/553846933.db2.gz	HJJACPLDGLZFKZ-FCEWJHQRSA-N	1	1	361.486	2.083	20	30		FEEDMO
COc1ccc2c(c1)OC[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)C2	ZINC000329005345	553862786	/nfs/dbraw/zinc/86/27/86/553862786.db2.gz	MPPPHKLDPPOPJY-DOTOQJQBSA-N	1	1	361.486	2.480	20	30		FEEDMO
O=C(CNC(=O)c1ccc2c(c1)OCO2)N1CCC[N@@H+](CC2CCC2)CC1	ZINC000329003634	553862819	/nfs/dbraw/zinc/86/28/19/553862819.db2.gz	LWXSSCVLFQGMRX-UHFFFAOYSA-N	1	1	373.453	2.054	20	30		FEEDMO
Cc1nnc2n1C[C@H](C[NH+]=C([O-])NC1CC[NH+](CC3CCCC3)CC1)CC2	ZINC000329014014	553864403	/nfs/dbraw/zinc/86/44/03/553864403.db2.gz	JFIQTDBORIRKFK-KRWDZBQOSA-N	1	1	374.533	2.307	20	30		FEEDMO
Cc1nnc2n1C[C@H](CNC([O-])=[NH+]C1CC[NH+](CC3CCCC3)CC1)CC2	ZINC000329014014	553864407	/nfs/dbraw/zinc/86/44/07/553864407.db2.gz	JFIQTDBORIRKFK-KRWDZBQOSA-N	1	1	374.533	2.307	20	30		FEEDMO
Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N1CC[NH+](C[C@H](C)O)CC1	ZINC000329022398	553866696	/nfs/dbraw/zinc/86/66/96/553866696.db2.gz	IGROWGGTJYGSCI-HNNXBMFYSA-N	1	1	374.485	2.254	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CCCS(=O)(=O)C1	ZINC000329046788	553871473	/nfs/dbraw/zinc/87/14/73/553871473.db2.gz	VETVPUIARRSWSA-HYVNUMGLSA-N	1	1	350.484	2.288	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)NCc3ccn(C)n3)CC2)C[C@H](C)O1	ZINC000329070677	553875017	/nfs/dbraw/zinc/87/50/17/553875017.db2.gz	YOEFRBRFEOZYAG-IYBDPMFKSA-N	1	1	363.506	2.045	20	30		FEEDMO
O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCN1S(=O)(=O)c1ccccc1	ZINC000329081664	553876951	/nfs/dbraw/zinc/87/69/51/553876951.db2.gz	RVVUGBYNZJYIQY-WMLDXEAASA-N	1	1	363.483	2.033	20	30		FEEDMO
CC(C)[C@@H](C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000329118202	553883510	/nfs/dbraw/zinc/88/35/10/553883510.db2.gz	OHDNBSALBRHODS-ZQOJQMTGSA-N	1	1	354.491	2.415	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)NC1CCCCCC1	ZINC000329122711	553884358	/nfs/dbraw/zinc/88/43/58/553884358.db2.gz	KZSZIOGQDHDVPW-IBGZPJMESA-N	1	1	351.491	2.115	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1)NC1CCCCCC1	ZINC000329122711	553884359	/nfs/dbraw/zinc/88/43/59/553884359.db2.gz	KZSZIOGQDHDVPW-IBGZPJMESA-N	1	1	351.491	2.115	20	30		FEEDMO
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C1	ZINC000329156205	553890856	/nfs/dbraw/zinc/89/08/56/553890856.db2.gz	VOFXEZZEHVVMIL-MDZRGWNJSA-N	1	1	362.474	2.335	20	30		FEEDMO
CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CCO[C@@]3(CCOC3)C2)C1	ZINC000329156205	553890858	/nfs/dbraw/zinc/89/08/58/553890858.db2.gz	VOFXEZZEHVVMIL-MDZRGWNJSA-N	1	1	362.474	2.335	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000329171203	553894292	/nfs/dbraw/zinc/89/42/92/553894292.db2.gz	JYHYJJPTGOHTCZ-BQJWPVKWSA-N	1	1	363.502	2.485	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1	ZINC000329180513	553896746	/nfs/dbraw/zinc/89/67/46/553896746.db2.gz	DMJINVJVZXFASD-QXAKKESOSA-N	1	1	359.470	2.416	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329201882	553900818	/nfs/dbraw/zinc/90/08/18/553900818.db2.gz	CAIMTPQTFLVNRP-IAGOWNOFSA-N	1	1	365.522	2.045	20	30		FEEDMO
CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C1	ZINC000329205108	553902042	/nfs/dbraw/zinc/90/20/42/553902042.db2.gz	DGUYKRJKXXHXSA-XLIONFOSSA-N	1	1	364.534	2.213	20	30		FEEDMO
CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)C1	ZINC000329261869	553912730	/nfs/dbraw/zinc/91/27/30/553912730.db2.gz	BBGWOKMEHROVRU-QZTJIDSGSA-N	1	1	369.469	2.251	20	30		FEEDMO
O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCC(c2nnc3ccccn32)CC1	ZINC000329286034	553917756	/nfs/dbraw/zinc/91/77/56/553917756.db2.gz	GQMSTQBCASSJQT-HNNXBMFYSA-N	1	1	354.458	2.059	20	30		FEEDMO
Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)nn1-c1cccc(C#N)c1	ZINC000506489077	561700072	/nfs/dbraw/zinc/70/00/72/561700072.db2.gz	ULMPXMZLXKOXGG-QGZVFWFLSA-N	1	1	351.454	2.466	20	30		FEEDMO
Cc1noc([C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C2CCOCC2)n1	ZINC000329364552	553933102	/nfs/dbraw/zinc/93/31/02/553933102.db2.gz	GAUZRYYBCCTVMQ-HZPDHXFCSA-N	1	1	365.478	2.032	20	30		FEEDMO
C[C@H](NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)N1CCCC[C@@H]1C	ZINC000329409601	553941281	/nfs/dbraw/zinc/94/12/81/553941281.db2.gz	AGRNZLLNWRKKKI-UIJGJVKASA-N	1	1	350.507	2.247	20	30		FEEDMO
Cc1n[nH]c([C@@H]2CCCN(CC(=O)Nc3ccc4c(c3)OCCO4)C2)n1	ZINC000329411114	553941312	/nfs/dbraw/zinc/94/13/12/553941312.db2.gz	BRHPROPZKAYZEJ-CYBMUJFWSA-N	1	1	357.414	2.352	20	30		FEEDMO
Cc1nnc([C@@H]2CCCN(CC(=O)Nc3ccc4c(c3)OCCO4)C2)[nH]1	ZINC000329411114	553941314	/nfs/dbraw/zinc/94/13/14/553941314.db2.gz	BRHPROPZKAYZEJ-CYBMUJFWSA-N	1	1	357.414	2.352	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)C1	ZINC000329436687	553946668	/nfs/dbraw/zinc/94/66/68/553946668.db2.gz	LXWVFWSPEVFGSE-SOLBZPMBSA-N	1	1	362.518	2.250	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C#N)ccn2)[C@@H]1c1cnn(C)c1	ZINC000506664826	561705371	/nfs/dbraw/zinc/70/53/71/561705371.db2.gz	SRXWAEDZMSDKTK-QFBILLFUSA-N	1	1	366.469	2.232	20	30		FEEDMO
CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)O1	ZINC000329480389	553954518	/nfs/dbraw/zinc/95/45/18/553954518.db2.gz	CYBDDJVSXKGJCG-IXDOHACOSA-N	1	1	351.491	2.376	20	30		FEEDMO
C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCCC1	ZINC000329511894	553960099	/nfs/dbraw/zinc/96/00/99/553960099.db2.gz	NHTKNAVOFNTGFC-RDJZCZTQSA-N	1	1	351.491	2.235	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1CC=CCC1	ZINC000329571580	553969712	/nfs/dbraw/zinc/96/97/12/553969712.db2.gz	QSKMQRBEQNXSDT-QZTJIDSGSA-N	1	1	357.502	2.452	20	30		FEEDMO
C[C@H](NC(=O)N[C@@H]1CCN(c2ncccc2Cl)C1)C1=CC[N@@H+](C)CC1	ZINC000329707906	553993202	/nfs/dbraw/zinc/99/32/02/553993202.db2.gz	LWBKMTMQJQGMEV-DZGCQCFKSA-N	1	1	363.893	2.468	20	30		FEEDMO
CCn1c(=O)[nH]c2cc(C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)ccc2c1=O	ZINC000329715215	553994313	/nfs/dbraw/zinc/99/43/13/553994313.db2.gz	URPXVSNWXSSIIF-GFCCVEGCSA-N	1	1	356.426	2.077	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1	ZINC000329772794	554003510	/nfs/dbraw/zinc/00/35/10/554003510.db2.gz	KYUJWADQQCMNFP-RCCFBDPRSA-N	1	1	372.517	2.226	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(F)cc3)CC2)c(F)c1	ZINC000507201659	561720894	/nfs/dbraw/zinc/72/08/94/561720894.db2.gz	GCTQBCMHZVVXFV-QGZVFWFLSA-N	1	1	373.403	2.398	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1	ZINC000329852357	554019038	/nfs/dbraw/zinc/01/90/38/554019038.db2.gz	RJWJEAOVGGYLFD-RYUDHWBXSA-N	1	1	373.436	2.249	20	30		FEEDMO
O=C(NCCc1cn2c(n1)SCC2)[C@@H]1CCC[N@H+]1C1CCOCC1	ZINC000329865004	554021336	/nfs/dbraw/zinc/02/13/36/554021336.db2.gz	TVSJKLAOHMNOGY-HNNXBMFYSA-N	1	1	350.488	2.131	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H](C)O1	ZINC000329867663	554021901	/nfs/dbraw/zinc/02/19/01/554021901.db2.gz	WHYYXAXHWBZVQO-TXEJJXNPSA-N	1	1	354.451	2.001	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CN2C(=O)NC(=O)C2(C)C)C[C@H](C)O1	ZINC000329867663	554021905	/nfs/dbraw/zinc/02/19/05/554021905.db2.gz	WHYYXAXHWBZVQO-TXEJJXNPSA-N	1	1	354.451	2.001	20	30		FEEDMO
CC(C)NC(=O)NC1(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCCCC1	ZINC000329922261	554032171	/nfs/dbraw/zinc/03/21/71/554032171.db2.gz	TWFDNANXEREGEI-MRXNPFEDSA-N	1	1	350.507	2.298	20	30		FEEDMO
CC(C)NC(=O)NC1(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCCCC1	ZINC000329922261	554032174	/nfs/dbraw/zinc/03/21/74/554032174.db2.gz	TWFDNANXEREGEI-MRXNPFEDSA-N	1	1	350.507	2.298	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](c2nnc(C(C)C)o2)C1	ZINC000329923100	554032555	/nfs/dbraw/zinc/03/25/55/554032555.db2.gz	GUNKZXZCAZQDMX-HUUCEWRRSA-N	1	1	365.478	2.355	20	30		FEEDMO
CN1CCO[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@@H]21	ZINC000329927407	554033451	/nfs/dbraw/zinc/03/34/51/554033451.db2.gz	LNXAYIMVPAYOAJ-JKSUJKDBSA-N	1	1	374.510	2.491	20	30		FEEDMO
Cc1nc(CC2CC2)sc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000329928383	554033723	/nfs/dbraw/zinc/03/37/23/554033723.db2.gz	MJKRIYOSJJRSPV-UHFFFAOYSA-N	1	1	364.515	2.261	20	30		FEEDMO
CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)NC2CCCCC2)cc[nH+]1	ZINC000329933058	554034354	/nfs/dbraw/zinc/03/43/54/554034354.db2.gz	JASHKEXHWKIODW-ZFWWWQNUSA-N	1	1	364.469	2.296	20	30		FEEDMO
N#Cc1ccccc1N1CCCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1	ZINC000329956530	554038578	/nfs/dbraw/zinc/03/85/78/554038578.db2.gz	LHKYAQCQBWFKIJ-QGZVFWFLSA-N	1	1	364.453	2.196	20	30		FEEDMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1	ZINC000330018080	554049998	/nfs/dbraw/zinc/04/99/98/554049998.db2.gz	SFGGTZWHMWGTNK-WMLDXEAASA-N	1	1	369.473	2.047	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1c2ccccc2C[C@H]1O	ZINC000330081959	554061327	/nfs/dbraw/zinc/06/13/27/554061327.db2.gz	KBLIQNIWXICJKS-NVXWUHKLSA-N	1	1	351.410	2.186	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(O[C@@H]2CCOC2)CC1	ZINC000330089156	554062733	/nfs/dbraw/zinc/06/27/33/554062733.db2.gz	VLWWWTUKABHVBM-SOLBZPMBSA-N	1	1	353.507	2.291	20	30		FEEDMO
Cc1ccc2c(c1)CC[C@@H]2NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000330126135	554069535	/nfs/dbraw/zinc/06/95/35/554069535.db2.gz	MFBASHDPLPZPJH-RBUKOAKNSA-N	1	1	370.497	2.135	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(C(=O)NC3CCN(C(=O)c4ccccc4)CC3)C2)C1	ZINC000330178368	554079118	/nfs/dbraw/zinc/07/91/18/554079118.db2.gz	LOBVIJHOQCJHRM-NRFANRHFSA-N	1	1	370.497	2.233	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CCc4nc(C(C)(C)C)cn4C3)C2)C1	ZINC000330177804	554079222	/nfs/dbraw/zinc/07/92/22/554079222.db2.gz	DEXLJGDWIVLEBX-YWZLYKJASA-N	1	1	359.518	2.437	20	30		FEEDMO
C[N@@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@H]3CCc4nc(C(C)(C)C)cn4C3)C2)C1	ZINC000330177804	554079225	/nfs/dbraw/zinc/07/92/25/554079225.db2.gz	DEXLJGDWIVLEBX-YWZLYKJASA-N	1	1	359.518	2.437	20	30		FEEDMO
CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCSCC1	ZINC000330191226	554081919	/nfs/dbraw/zinc/08/19/19/554081919.db2.gz	WWHUCLVSPJQPFD-OFQRWUPVSA-N	1	1	352.504	2.374	20	30		FEEDMO
CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1	ZINC000330214143	554086858	/nfs/dbraw/zinc/08/68/58/554086858.db2.gz	LMJDGYVBUBZGBA-SQNIBIBYSA-N	1	1	353.507	2.148	20	30		FEEDMO
Cc1ccc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1N1CCNC1=O	ZINC000330229839	554089435	/nfs/dbraw/zinc/08/94/35/554089435.db2.gz	WCKLFSKUWWCYEN-GDBMZVCRSA-N	1	1	357.458	2.443	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)C12CCC2	ZINC000330267341	554096420	/nfs/dbraw/zinc/09/64/20/554096420.db2.gz	QMLJGCWVLZLOEC-XLAORIBOSA-N	1	1	365.518	2.291	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCOC2(CCC2)C1	ZINC000330268708	554096680	/nfs/dbraw/zinc/09/66/80/554096680.db2.gz	RIGFQBSONVZAAD-HZPDHXFCSA-N	1	1	351.491	2.187	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C[C@@H]1C	ZINC000330290622	554100213	/nfs/dbraw/zinc/10/02/13/554100213.db2.gz	CLKHLNBYYQRGAM-BBWFWOEESA-N	1	1	353.507	2.433	20	30		FEEDMO
CCn1cc([C@H]2OCC[C@@H]2NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cn1	ZINC000330330361	554106517	/nfs/dbraw/zinc/10/65/17/554106517.db2.gz	NGCIBIYWIUERDA-XYVMCAHJSA-N	1	1	363.506	2.357	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1	ZINC000330413985	554118949	/nfs/dbraw/zinc/11/89/49/554118949.db2.gz	MRARQMZWSNYMHD-AEFFLSMTSA-N	1	1	364.515	2.109	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](CNC(N)=O)C2)C1	ZINC000330484993	554127412	/nfs/dbraw/zinc/12/74/12/554127412.db2.gz	ZEQDFSMFFAIXGX-CABCVRRESA-N	1	1	353.511	2.205	20	30		FEEDMO
CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1	ZINC000330578351	554140697	/nfs/dbraw/zinc/14/06/97/554140697.db2.gz	RVPHSKKMCGBGLX-SCLBCKFNSA-N	1	1	367.877	2.146	20	30		FEEDMO
CC(=O)c1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1Cl	ZINC000330585064	554141683	/nfs/dbraw/zinc/14/16/83/554141683.db2.gz	RVVSGJTZGDQDBX-VXGBXAGGSA-N	1	1	353.850	2.475	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CNC(=O)c1cccc(Br)c1	ZINC000330626677	554147766	/nfs/dbraw/zinc/14/77/66/554147766.db2.gz	JGBSKMXCKKUOEG-VXGBXAGGSA-N	1	1	368.275	2.305	20	30		FEEDMO
CCS[C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1	ZINC000331134518	554219349	/nfs/dbraw/zinc/21/93/49/554219349.db2.gz	CJRCFJJOSHNRCT-JKSUJKDBSA-N	1	1	370.563	2.107	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C	ZINC000331202959	554229941	/nfs/dbraw/zinc/22/99/41/554229941.db2.gz	XTNPMFIJRDGYGZ-LSDHHAIUSA-N	1	1	360.458	2.278	20	30		FEEDMO
COc1cccc(C[C@H](C)NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1	ZINC000331226172	554233515	/nfs/dbraw/zinc/23/35/15/554233515.db2.gz	NGPGUEXNVWQHGE-JKSUJKDBSA-N	1	1	363.502	2.317	20	30		FEEDMO
C[C@@H]1CN(C(=O)NCCc2cccc(F)c2F)CC[N@H+]1CC(C)(C)O	ZINC000331228678	554233717	/nfs/dbraw/zinc/23/37/17/554233717.db2.gz	OLVDBKIBXQPCEL-CYBMUJFWSA-N	1	1	355.429	2.198	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CN2CCCCC2=O)CC1	ZINC000331294374	554242720	/nfs/dbraw/zinc/24/27/20/554242720.db2.gz	MEFJYYFKRNTEOA-OXJNMPFZSA-N	1	1	362.518	2.154	20	30		FEEDMO
C=CCn1c(-c2ccoc2)nnc1N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1	ZINC000508880219	561776470	/nfs/dbraw/zinc/77/64/70/561776470.db2.gz	KGDKMOTWVMLDBQ-HNNXBMFYSA-N	1	1	357.458	2.414	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1C#N	ZINC000509057683	561783053	/nfs/dbraw/zinc/78/30/53/561783053.db2.gz	SYRXPIMOFYECRQ-SGTLLEGYSA-N	1	1	370.428	2.356	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@H](O)[C@@H](C)C2)c1C#N	ZINC000509057683	561783054	/nfs/dbraw/zinc/78/30/54/561783054.db2.gz	SYRXPIMOFYECRQ-SGTLLEGYSA-N	1	1	370.428	2.356	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c(C#N)cc1N(C)C	ZINC000331611518	554294649	/nfs/dbraw/zinc/29/46/49/554294649.db2.gz	RQUOTKAWDLPGFF-MRXNPFEDSA-N	1	1	371.485	2.119	20	30		FEEDMO
C[C@H]([NH2+][C@@H]1CCCN(c2nccn(C)c2=O)C1)c1ccc(C#N)cc1F	ZINC000331942100	554349850	/nfs/dbraw/zinc/34/98/50/554349850.db2.gz	XSDODNVXFASTFB-DZGCQCFKSA-N	1	1	355.417	2.111	20	30		FEEDMO
CC[NH+](CC)CCOc1ccccc1CNC(=O)N=c1[nH]n(C)cc1C#N	ZINC000610562949	554529494	/nfs/dbraw/zinc/52/94/94/554529494.db2.gz	MCRFFNBOTDOOBQ-UHFFFAOYSA-N	1	1	370.457	2.334	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](n2ccnn2)C1	ZINC000333456986	554615267	/nfs/dbraw/zinc/61/52/67/554615267.db2.gz	ZTLPIDXPUYSSOO-VIHIWDAPSA-N	1	1	358.490	2.234	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](n2ccnn2)C1	ZINC000333456986	554615268	/nfs/dbraw/zinc/61/52/68/554615268.db2.gz	ZTLPIDXPUYSSOO-VIHIWDAPSA-N	1	1	358.490	2.234	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1)S(C)(=O)=O	ZINC000511142516	561859009	/nfs/dbraw/zinc/85/90/09/561859009.db2.gz	YOIDQYCZYOPTSC-CQSZACIVSA-N	1	1	355.891	2.315	20	30		FEEDMO
CN(C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1)S(C)(=O)=O	ZINC000511142516	561859010	/nfs/dbraw/zinc/85/90/10/561859010.db2.gz	YOIDQYCZYOPTSC-CQSZACIVSA-N	1	1	355.891	2.315	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)cc1	ZINC000360291686	554869927	/nfs/dbraw/zinc/86/99/27/554869927.db2.gz	HDPPNENUDVYFSS-UHFFFAOYSA-N	1	1	363.421	2.242	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C[C@H]1C	ZINC000613157010	554894078	/nfs/dbraw/zinc/89/40/78/554894078.db2.gz	RDTMJUKIBBFBMX-CQSZACIVSA-N	1	1	353.430	2.005	20	30		FEEDMO
Cn1cc(C[C@@H]2CC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)cn1	ZINC000362875693	554995125	/nfs/dbraw/zinc/99/51/25/554995125.db2.gz	ADZRGZBVOIBZPL-KRWDZBQOSA-N	1	1	351.454	2.231	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1	ZINC000363170259	555044702	/nfs/dbraw/zinc/04/47/02/555044702.db2.gz	FHGLPDIASIVVLW-YTQUADARSA-N	1	1	369.513	2.419	20	30		FEEDMO
C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000363384687	555091586	/nfs/dbraw/zinc/09/15/86/555091586.db2.gz	OCIUGFCZBUQPLV-OWCLPIDISA-N	1	1	355.486	2.300	20	30		FEEDMO
CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1	ZINC000363473446	555114578	/nfs/dbraw/zinc/11/45/78/555114578.db2.gz	BKTOSQJHMDNWMN-SJORKVTESA-N	1	1	360.502	2.194	20	30		FEEDMO
C[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)Nc1cccc(C#N)c1	ZINC000363702514	555167686	/nfs/dbraw/zinc/16/76/86/555167686.db2.gz	BZIPAPZAIGFVGD-WOUAJJJCSA-N	1	1	370.497	2.364	20	30		FEEDMO
C[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C)C(=O)Nc1cccc(C#N)c1	ZINC000363702514	555167687	/nfs/dbraw/zinc/16/76/87/555167687.db2.gz	BZIPAPZAIGFVGD-WOUAJJJCSA-N	1	1	370.497	2.364	20	30		FEEDMO
CN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1	ZINC000363893019	555208448	/nfs/dbraw/zinc/20/84/48/555208448.db2.gz	WSEMHIMDGYOWCQ-UHFFFAOYSA-N	1	1	351.454	2.255	20	30		FEEDMO
CN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1	ZINC000363893019	555208451	/nfs/dbraw/zinc/20/84/51/555208451.db2.gz	WSEMHIMDGYOWCQ-UHFFFAOYSA-N	1	1	351.454	2.255	20	30		FEEDMO
N#CCN(CC#N)C(=O)C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1	ZINC000364116500	555252747	/nfs/dbraw/zinc/25/27/47/555252747.db2.gz	YNFOSUSKCBUTCA-UHFFFAOYSA-N	1	1	363.421	2.429	20	30		FEEDMO
C=CCN(CC(=O)NC1(C#N)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364143367	555257922	/nfs/dbraw/zinc/25/79/22/555257922.db2.gz	FURVHYYAYAWQPI-IBGZPJMESA-N	1	1	352.482	2.311	20	30		FEEDMO
C=CCN(Cc1cc(=O)n2nccc2[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364155700	555259974	/nfs/dbraw/zinc/25/99/74/555259974.db2.gz	GFPMFTDNEOIZEG-LJQANCHMSA-N	1	1	363.465	2.285	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCOC4(CCOCC4)CC3)C2=O)cc1	ZINC000364247268	555277962	/nfs/dbraw/zinc/27/79/62/555277962.db2.gz	XTMFGLDMIBLBQT-IBGZPJMESA-N	1	1	369.465	2.325	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCOC4(CCOCC4)CC3)C2=O)cc1	ZINC000364247268	555277966	/nfs/dbraw/zinc/27/79/66/555277966.db2.gz	XTMFGLDMIBLBQT-IBGZPJMESA-N	1	1	369.465	2.325	20	30		FEEDMO
C=CCN(C(=O)N[C@@H](C)Cn1cncn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364294200	555286262	/nfs/dbraw/zinc/28/62/62/555286262.db2.gz	TXTBQYWDCROSPY-PKOBYXMFSA-N	1	1	368.485	2.139	20	30		FEEDMO
CCCn1nc2c(cc1=O)C[N@H+](CCCOc1ccc(C#N)cc1)CC2	ZINC000364361591	555299384	/nfs/dbraw/zinc/29/93/84/555299384.db2.gz	LHEWEEJNPAACCB-UHFFFAOYSA-N	1	1	352.438	2.352	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)[C@@H]1c1cccnc1	ZINC000364555764	555337569	/nfs/dbraw/zinc/33/75/69/555337569.db2.gz	SNWRUNVSEYKCEP-RXVVDRJESA-N	1	1	364.449	2.336	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)cc1OC	ZINC000364592634	555347003	/nfs/dbraw/zinc/34/70/03/555347003.db2.gz	SOUSLXCIMJFDNM-UHFFFAOYSA-N	1	1	362.470	2.179	20	30		FEEDMO
C[C@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)cn1C	ZINC000364857445	555416747	/nfs/dbraw/zinc/41/67/47/555416747.db2.gz	WOROMBZKUJBFPF-UZLBHIALSA-N	1	1	366.465	2.258	20	30		FEEDMO
C[C@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)cn1C	ZINC000364857445	555416752	/nfs/dbraw/zinc/41/67/52/555416752.db2.gz	WOROMBZKUJBFPF-UZLBHIALSA-N	1	1	366.465	2.258	20	30		FEEDMO
COc1ccccc1CC(=O)N1CCC[N@H+](Cc2cc(C#N)n(C)c2)CC1	ZINC000365235017	555519041	/nfs/dbraw/zinc/51/90/41/555519041.db2.gz	RKJXQVZPOBQTAS-UHFFFAOYSA-N	1	1	366.465	2.182	20	30		FEEDMO
COc1ccccc1CC(=O)N1CCC[N@@H+](Cc2cc(C#N)n(C)c2)CC1	ZINC000365235017	555519043	/nfs/dbraw/zinc/51/90/43/555519043.db2.gz	RKJXQVZPOBQTAS-UHFFFAOYSA-N	1	1	366.465	2.182	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCCN(C(=O)c2ccoc2)CC1	ZINC000365301787	555536431	/nfs/dbraw/zinc/53/64/31/555536431.db2.gz	YOHOTFJWZCXSPT-UHFFFAOYSA-N	1	1	366.421	2.328	20	30		FEEDMO
C#CCSCCNC(=O)N1CCC[N@@H+](Cc2cnn(C(C)C)c2)CC1	ZINC000365499658	555591629	/nfs/dbraw/zinc/59/16/29/555591629.db2.gz	ARVBUMHXJCCNNB-UHFFFAOYSA-N	1	1	363.531	2.048	20	30		FEEDMO
C#CCSCCNC(=O)N1CCC[N@H+](Cc2cnn(C(C)C)c2)CC1	ZINC000365499658	555591634	/nfs/dbraw/zinc/59/16/34/555591634.db2.gz	ARVBUMHXJCCNNB-UHFFFAOYSA-N	1	1	363.531	2.048	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)C2)n1	ZINC000365768519	555663525	/nfs/dbraw/zinc/66/35/25/555663525.db2.gz	HAMFLEXAHIAGHJ-ROUUACIJSA-N	1	1	355.486	2.031	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(c2ncccn2)CC1	ZINC000365835097	555678838	/nfs/dbraw/zinc/67/88/38/555678838.db2.gz	SMALAOONSSBXGC-UHFFFAOYSA-N	1	1	364.453	2.278	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000366745745	555923603	/nfs/dbraw/zinc/92/36/03/555923603.db2.gz	OMBVVZUTZMJWHZ-CYBMUJFWSA-N	1	1	368.397	2.327	20	30		FEEDMO
N#Cc1cccc(-n2ccc(C(=O)N3CC[NH+]([C@@H]4CCSC4)CC3)n2)c1	ZINC000366967571	555984778	/nfs/dbraw/zinc/98/47/78/555984778.db2.gz	YLUILKKKNKHJFZ-QGZVFWFLSA-N	1	1	367.478	2.007	20	30		FEEDMO
C[NH+]1CCN(C[C@H]2CCCN(c3nc4c(cc3C#N)CCCC4)C2)CC1	ZINC000367342845	556023333	/nfs/dbraw/zinc/02/33/33/556023333.db2.gz	RLZVYXAAFBPIBJ-QGZVFWFLSA-N	1	1	353.514	2.296	20	30		FEEDMO
CN(CCC#N)c1ccc(CN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)cc1	ZINC000367467113	556058128	/nfs/dbraw/zinc/05/81/28/556058128.db2.gz	IJWPFMHFPARARN-NHCUHLMSSA-N	1	1	356.514	2.458	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCC[C@@H]2CO)cc1	ZINC000367467113	556058129	/nfs/dbraw/zinc/05/81/29/556058129.db2.gz	IJWPFMHFPARARN-NHCUHLMSSA-N	1	1	356.514	2.458	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2CN2CCC[C@@H]2CO)cc1	ZINC000367467113	556058130	/nfs/dbraw/zinc/05/81/30/556058130.db2.gz	IJWPFMHFPARARN-NHCUHLMSSA-N	1	1	356.514	2.458	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@H](Cc4ccncc4)C3)C2=O)cc1	ZINC000368076406	556212319	/nfs/dbraw/zinc/21/23/19/556212319.db2.gz	POKBXZQYNDNOEO-MJGOQNOKSA-N	1	1	360.417	2.150	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000368348976	556284204	/nfs/dbraw/zinc/28/42/04/556284204.db2.gz	PABCNFYJVVDJKY-HZPDHXFCSA-N	1	1	364.490	2.080	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](c2ccnc(N)n2)C1	ZINC000368452601	556313773	/nfs/dbraw/zinc/31/37/73/556313773.db2.gz	BVNFIMLCGGTGJV-HNNXBMFYSA-N	1	1	353.426	2.197	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1	ZINC000368672129	556381873	/nfs/dbraw/zinc/38/18/73/556381873.db2.gz	YIEFRHCYDUGJRW-QZTJIDSGSA-N	1	1	354.454	2.362	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1	ZINC000368672129	556381875	/nfs/dbraw/zinc/38/18/75/556381875.db2.gz	YIEFRHCYDUGJRW-QZTJIDSGSA-N	1	1	354.454	2.362	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1	ZINC000368819121	556422115	/nfs/dbraw/zinc/42/21/15/556422115.db2.gz	YJADKINUSHOORB-MOPGFXCFSA-N	1	1	371.481	2.022	20	30		FEEDMO
Cn1cc[nH+]c1N1CCC(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000369390281	556587914	/nfs/dbraw/zinc/58/79/14/556587914.db2.gz	YPUUVKIXVLEGLY-UHFFFAOYSA-N	1	1	367.453	2.234	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(Oc2cnccn2)CC1)C1(C#N)CCCCC1	ZINC000369676993	556665766	/nfs/dbraw/zinc/66/57/66/556665766.db2.gz	URTHYUJKFHBYNL-UHFFFAOYSA-N	1	1	357.458	2.005	20	30		FEEDMO
C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[N@H+]1CCCC[C@@H]1C	ZINC000516564763	562048372	/nfs/dbraw/zinc/04/83/72/562048372.db2.gz	GXZNYTIURGSWGM-DLBZAZTESA-N	1	1	370.501	2.048	20	30		FEEDMO
C[N@H+](Cc1cc(F)ccc1C#N)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000370405565	556862622	/nfs/dbraw/zinc/86/26/22/556862622.db2.gz	KDVRREGPURUXPT-UHFFFAOYSA-N	1	1	358.461	2.216	20	30		FEEDMO
C[N@@H+](Cc1cc(F)ccc1C#N)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000370405565	556862623	/nfs/dbraw/zinc/86/26/23/556862623.db2.gz	KDVRREGPURUXPT-UHFFFAOYSA-N	1	1	358.461	2.216	20	30		FEEDMO
Cn1cc([C@H]2[C@H](CNC(=O)CCc3ccc(C#N)cc3)CCC[N@H+]2C)cn1	ZINC000370905500	557010261	/nfs/dbraw/zinc/01/02/61/557010261.db2.gz	PSIDMGXHFBKIMD-GHTZIAJQSA-N	1	1	365.481	2.424	20	30		FEEDMO
CCCOc1cn(-c2ccccc2)nc1C(=O)NC1(C#N)CC[NH+](C)CC1	ZINC000517581391	562093094	/nfs/dbraw/zinc/09/30/94/562093094.db2.gz	NUKINKVBTVSYCR-UHFFFAOYSA-N	1	1	367.453	2.379	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1	ZINC000371549589	557218509	/nfs/dbraw/zinc/21/85/09/557218509.db2.gz	XFLRVBFVJLTVMV-KRWDZBQOSA-N	1	1	365.481	2.346	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1	ZINC000371549589	557218513	/nfs/dbraw/zinc/21/85/13/557218513.db2.gz	XFLRVBFVJLTVMV-KRWDZBQOSA-N	1	1	365.481	2.346	20	30		FEEDMO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2c[nH]nc21	ZINC000372215686	557411713	/nfs/dbraw/zinc/41/17/13/557411713.db2.gz	HYBAIOIZWDUNOW-GOSISDBHSA-N	1	1	351.454	2.292	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](OCc2csc(C)n2)C1	ZINC000372282244	557429187	/nfs/dbraw/zinc/42/91/87/557429187.db2.gz	LYSOWKVSQFNQEV-CZUORRHYSA-N	1	1	350.488	2.051	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](OCc2csc(C)n2)C1	ZINC000372282244	557429191	/nfs/dbraw/zinc/42/91/91/557429191.db2.gz	LYSOWKVSQFNQEV-CZUORRHYSA-N	1	1	350.488	2.051	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O	ZINC000372353811	557448627	/nfs/dbraw/zinc/44/86/27/557448627.db2.gz	AMFMPQXLFMHPEX-SZNDQCEHSA-N	1	1	360.417	2.481	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O	ZINC000372353811	557448628	/nfs/dbraw/zinc/44/86/28/557448628.db2.gz	AMFMPQXLFMHPEX-SZNDQCEHSA-N	1	1	360.417	2.481	20	30		FEEDMO
Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)nn1-c1cccc(C#N)c1	ZINC000372378217	557454705	/nfs/dbraw/zinc/45/47/05/557454705.db2.gz	PVRSQTRDHLEUSL-RHSMWYFYSA-N	1	1	366.469	2.999	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2	ZINC000372545227	557499343	/nfs/dbraw/zinc/49/93/43/557499343.db2.gz	IHFOINJMIFNICT-MUJYYYPQSA-N	1	1	364.490	2.269	20	30		FEEDMO
N#Cc1ccccc1Cn1cccc1CNC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000372671965	557534407	/nfs/dbraw/zinc/53/44/07/557534407.db2.gz	FTOYBWKXHLVVQP-NHCUHLMSSA-N	1	1	350.466	2.361	20	30		FEEDMO
C[C@H]1C[NH+](CCOC2CCN(Cc3nc(C#N)cs3)CC2)C[C@H](C)O1	ZINC000519854834	562146708	/nfs/dbraw/zinc/14/67/08/562146708.db2.gz	CFKZHQMGXAQIBK-GJZGRUSLSA-N	1	1	364.515	2.105	20	30		FEEDMO
C=CCNC(=O)C[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1	ZINC000373213288	557651057	/nfs/dbraw/zinc/65/10/57/557651057.db2.gz	ZXSLWHYLWQZFTO-HNNXBMFYSA-N	1	1	369.387	2.261	20	30		FEEDMO
CC(C)C[N@@H+](CC(=O)NCCCN1CCCC1=O)Cc1ccc(C#N)cc1	ZINC000520173174	562149870	/nfs/dbraw/zinc/14/98/70/562149870.db2.gz	REHYAAHAHHHJLS-UHFFFAOYSA-N	1	1	370.497	2.145	20	30		FEEDMO
Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000373403278	557687607	/nfs/dbraw/zinc/68/76/07/557687607.db2.gz	GOWYTMJBQUHUQW-UHFFFAOYSA-N	1	1	358.833	2.387	20	30		FEEDMO
N#C[C@@H]1COCCN1C(=O)[C@H]1CC[N@@H+](C[C@@H]2CCCc3ccccc32)C1	ZINC000373506644	557707326	/nfs/dbraw/zinc/70/73/26/557707326.db2.gz	MVINSZBNPKMXRT-GBESFXJTSA-N	1	1	353.466	2.179	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccccc2CC#N)CC1=O	ZINC000520426323	562156327	/nfs/dbraw/zinc/15/63/27/562156327.db2.gz	FBUFFUUZSMWLNE-SJORKVTESA-N	1	1	354.454	2.024	20	30		FEEDMO
O=C(C[N@@H+]1CCCC[C@@H](CO)C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000374048501	557813857	/nfs/dbraw/zinc/81/38/57/557813857.db2.gz	HEXALXVYYJKNDP-MRXNPFEDSA-N	1	1	368.399	2.268	20	30		FEEDMO
CN(C(=O)CC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)c1ccccc1	ZINC000374385039	557876235	/nfs/dbraw/zinc/87/62/35/557876235.db2.gz	KKEFUGOEAIXBEW-OPAMFIHVSA-N	1	1	374.444	2.385	20	30		FEEDMO
CN(C(=O)CC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)c1ccccc1	ZINC000374385039	557876237	/nfs/dbraw/zinc/87/62/37/557876237.db2.gz	KKEFUGOEAIXBEW-OPAMFIHVSA-N	1	1	374.444	2.385	20	30		FEEDMO
COc1ccc([C@H](O)[C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)cc1	ZINC000374418863	557881516	/nfs/dbraw/zinc/88/15/16/557881516.db2.gz	FSSGGFBAYYXXLA-IHPCNDPISA-N	1	1	357.454	2.001	20	30		FEEDMO
COc1ccc([C@H](O)[C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)cc1	ZINC000374418863	557881517	/nfs/dbraw/zinc/88/15/17/557881517.db2.gz	FSSGGFBAYYXXLA-IHPCNDPISA-N	1	1	357.454	2.001	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N2CC[NH+]3CCC2CC3)ccc1C(F)(F)F	ZINC000374463326	557887108	/nfs/dbraw/zinc/88/71/08/557887108.db2.gz	UOFAEHSKKRFTNY-UHFFFAOYSA-N	1	1	359.373	2.046	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1	ZINC000374559051	557899553	/nfs/dbraw/zinc/89/95/53/557899553.db2.gz	VLAJZHMHIYUWGV-INIZCTEOSA-N	1	1	366.421	2.232	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1	ZINC000374559051	557899555	/nfs/dbraw/zinc/89/95/55/557899555.db2.gz	VLAJZHMHIYUWGV-INIZCTEOSA-N	1	1	366.421	2.232	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1	ZINC000374588948	557903096	/nfs/dbraw/zinc/90/30/96/557903096.db2.gz	UOZHFLCGDZGOQB-LJQANCHMSA-N	1	1	353.397	2.467	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1	ZINC000374588948	557903098	/nfs/dbraw/zinc/90/30/98/557903098.db2.gz	UOZHFLCGDZGOQB-LJQANCHMSA-N	1	1	353.397	2.467	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1	ZINC000374622700	557908458	/nfs/dbraw/zinc/90/84/58/557908458.db2.gz	LSPBHMQWOKAUEM-LJQANCHMSA-N	1	1	353.397	2.467	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1	ZINC000374622700	557908459	/nfs/dbraw/zinc/90/84/59/557908459.db2.gz	LSPBHMQWOKAUEM-LJQANCHMSA-N	1	1	353.397	2.467	20	30		FEEDMO
Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCc1ccc(C#N)cc1	ZINC000374826639	557937269	/nfs/dbraw/zinc/93/72/69/557937269.db2.gz	FWJBVHKRZMOONC-YQQQUEKLSA-N	1	1	363.465	2.319	20	30		FEEDMO
C[C@@H](NC(=O)c1ccc(C#N)c(Cl)n1)C1([NH+]2CCOCC2)CCCC1	ZINC000375095715	557977471	/nfs/dbraw/zinc/97/74/71/557977471.db2.gz	WWIYMYHDIYYGKP-CYBMUJFWSA-N	1	1	362.861	2.370	20	30		FEEDMO
CCN(CC(=O)N(CCC#N)CCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375211183	557992713	/nfs/dbraw/zinc/99/27/13/557992713.db2.gz	NUSBFMZHJBCDEW-FQEVSTJZSA-N	1	1	367.497	2.239	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000375259804	558000225	/nfs/dbraw/zinc/00/02/25/558000225.db2.gz	FSIUTWOLCUXRIP-UHFFFAOYSA-N	1	1	351.491	2.402	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(CC#N)cc1	ZINC000375263221	558001016	/nfs/dbraw/zinc/00/10/16/558001016.db2.gz	IECQNEQBNVDJKO-JOCHJYFZSA-N	1	1	363.461	2.462	20	30		FEEDMO
C[C@@H]1CC[S@](=O)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000375413396	558022958	/nfs/dbraw/zinc/02/29/58/558022958.db2.gz	GWJCADDSQYHMOF-SPSFWMDKSA-N	1	1	353.875	2.383	20	30		FEEDMO
C[C@@H]1CC[S@](=O)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000375413396	558022960	/nfs/dbraw/zinc/02/29/60/558022960.db2.gz	GWJCADDSQYHMOF-SPSFWMDKSA-N	1	1	353.875	2.383	20	30		FEEDMO
C[C@H]1C[C@@H](CNS(=O)(=O)c2cccnc2C#N)C[N@H+]1Cc1ccccc1	ZINC000375440149	558027592	/nfs/dbraw/zinc/02/75/92/558027592.db2.gz	YLRPOVXZKUUUTA-RDJZCZTQSA-N	1	1	370.478	2.142	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1	ZINC000375471093	558033049	/nfs/dbraw/zinc/03/30/49/558033049.db2.gz	PPQNTISZANVLSR-CVEARBPZSA-N	1	1	354.410	2.048	20	30		FEEDMO
CC(C)(CCC#N)C[N@H+]1CCC[C@@H](n2ncc(N3CCOCC3)cc2=O)C1	ZINC000375573072	558050964	/nfs/dbraw/zinc/05/09/64/558050964.db2.gz	VCSHANNJZXGCPR-QGZVFWFLSA-N	1	1	373.501	2.047	20	30		FEEDMO
C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(C#N)o2)[C@@H]1c1cccs1	ZINC000376265101	558149599	/nfs/dbraw/zinc/14/95/99/558149599.db2.gz	KDKBSEZGSISDGC-IAQYHMDHSA-N	1	1	351.453	2.184	20	30		FEEDMO
C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc2c(c1)OCCO2	ZINC000521820485	562183916	/nfs/dbraw/zinc/18/39/16/562183916.db2.gz	BIXYCXOKCFMDBK-UHFFFAOYSA-N	1	1	351.406	2.078	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccc2c(c1)OCCO2	ZINC000521820485	562183917	/nfs/dbraw/zinc/18/39/17/562183917.db2.gz	BIXYCXOKCFMDBK-UHFFFAOYSA-N	1	1	351.406	2.078	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1cccnc1	ZINC000377310884	558312447	/nfs/dbraw/zinc/31/24/47/558312447.db2.gz	MMJRKRLVNKIBFU-OALUTQOASA-N	1	1	370.478	2.066	20	30		FEEDMO
C=CCN(C(=O)c1cc2n(n1)CCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000377957482	558452112	/nfs/dbraw/zinc/45/21/12/558452112.db2.gz	GLCDINWOUYQMKG-KRWDZBQOSA-N	1	1	352.438	2.178	20	30		FEEDMO
Cc1[nH+]c(CNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)c2n1CCCC2	ZINC000378296620	558522834	/nfs/dbraw/zinc/52/28/34/558522834.db2.gz	UXYQNJBPBJEQGP-UHFFFAOYSA-N	1	1	367.453	2.366	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1	ZINC000378447074	558559485	/nfs/dbraw/zinc/55/94/85/558559485.db2.gz	ACPLNFVRSGLZCY-CRAIPNDOSA-N	1	1	357.454	2.133	20	30		FEEDMO
Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(C#N)cc1N(C)C	ZINC000408468995	558680868	/nfs/dbraw/zinc/68/08/68/558680868.db2.gz	OPGWCAZWXSRMHD-KXBFYZLASA-N	1	1	371.485	2.117	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000409491766	558697397	/nfs/dbraw/zinc/69/73/97/558697397.db2.gz	RIGNKTLSDNVGCX-SJORKVTESA-N	1	1	364.515	2.062	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000409491766	558697400	/nfs/dbraw/zinc/69/74/00/558697400.db2.gz	RIGNKTLSDNVGCX-SJORKVTESA-N	1	1	364.515	2.062	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000409496825	558697795	/nfs/dbraw/zinc/69/77/95/558697795.db2.gz	YUXWOCCBAMGZET-FUHWJXTLSA-N	1	1	364.515	2.109	20	30		FEEDMO
CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)C[C@@H](C)C#N	ZINC000409507842	558698972	/nfs/dbraw/zinc/69/89/72/558698972.db2.gz	BJCNSUXJONHWML-FUHWJXTLSA-N	1	1	366.531	2.069	20	30		FEEDMO
C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1=O	ZINC000410116406	558739454	/nfs/dbraw/zinc/73/94/54/558739454.db2.gz	FLCICIRWCYVZIB-RTBURBONSA-N	1	1	355.482	2.286	20	30		FEEDMO
C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1=O	ZINC000410116406	558739455	/nfs/dbraw/zinc/73/94/55/558739455.db2.gz	FLCICIRWCYVZIB-RTBURBONSA-N	1	1	355.482	2.286	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1	ZINC000410821733	558814225	/nfs/dbraw/zinc/81/42/25/558814225.db2.gz	CNCCGXGSJLBEKK-GOSISDBHSA-N	1	1	373.497	2.027	20	30		FEEDMO
COCCCNC(=O)[C@H](C)N1CC[NH+](CCC2(C#N)CCCCC2)CC1	ZINC000411240953	558859118	/nfs/dbraw/zinc/85/91/18/558859118.db2.gz	UDIZOSLAPRMICJ-SFHVURJKSA-N	1	1	364.534	2.009	20	30		FEEDMO
CC(C)OC[C@@H](CO)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000411635445	558933312	/nfs/dbraw/zinc/93/33/12/558933312.db2.gz	NFVYMOLGEQIBFL-CYBMUJFWSA-N	1	1	365.499	2.155	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000411681305	558942997	/nfs/dbraw/zinc/94/29/97/558942997.db2.gz	YUTGPOHVSOQHJP-HNNXBMFYSA-N	1	1	374.510	2.479	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC[N@H+]1C	ZINC000525852781	562257445	/nfs/dbraw/zinc/25/74/45/562257445.db2.gz	CJQMHLVUVFWMDQ-FQXVJMBOSA-N	1	1	371.485	2.425	20	30		FEEDMO
CN(C)C(=O)[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000411937024	558991370	/nfs/dbraw/zinc/99/13/70/558991370.db2.gz	GDIGMJSBFHHEET-ZDUSSCGKSA-N	1	1	374.510	2.237	20	30		FEEDMO
CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000411937024	558991372	/nfs/dbraw/zinc/99/13/72/558991372.db2.gz	GDIGMJSBFHHEET-ZDUSSCGKSA-N	1	1	374.510	2.237	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1	ZINC000411984561	558999378	/nfs/dbraw/zinc/99/93/78/558999378.db2.gz	RGUXTFXDWCWSAM-QGTPRVQTSA-N	1	1	362.433	2.086	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1	ZINC000526057680	562265448	/nfs/dbraw/zinc/26/54/48/562265448.db2.gz	ALNXXNOKCKAKLN-HNNXBMFYSA-N	1	1	367.449	2.498	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1	ZINC000526057680	562265449	/nfs/dbraw/zinc/26/54/49/562265449.db2.gz	ALNXXNOKCKAKLN-HNNXBMFYSA-N	1	1	367.449	2.498	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000413521747	559113838	/nfs/dbraw/zinc/11/38/38/559113838.db2.gz	ZOELAKGWBAXJBA-IBGZPJMESA-N	1	1	358.530	2.499	20	30		FEEDMO
N#Cc1ccc(Oc2ccc(C(=O)NCC[N@H+]3CCCOCC3)cc2)nc1	ZINC000526127211	562267695	/nfs/dbraw/zinc/26/76/95/562267695.db2.gz	FWTMCHGEKQIDRX-UHFFFAOYSA-N	1	1	366.421	2.198	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(NC(=O)CC2CCCC2)CC1	ZINC000527049076	562274652	/nfs/dbraw/zinc/27/46/52/562274652.db2.gz	ICHWVFZCRZWVLC-OAHLLOKOSA-N	1	1	360.502	2.098	20	30		FEEDMO
N#Cc1cc(NC(=O)NCC(F)(F)C[NH3+])ccc1OCC(F)(F)F	ZINC000414831090	559189976	/nfs/dbraw/zinc/18/99/76/559189976.db2.gz	BYKZRCCJFSYGRH-UHFFFAOYSA-N	1	1	352.263	2.215	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)[C@@H](C)C[N@H+]1CCO	ZINC000416299205	559303675	/nfs/dbraw/zinc/30/36/75/559303675.db2.gz	CNWHXRBAJGYOJA-SJORKVTESA-N	1	1	368.481	2.472	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cn(CCCC#N)c2ccccc12	ZINC000416299202	559303763	/nfs/dbraw/zinc/30/37/63/559303763.db2.gz	CNWHXRBAJGYOJA-DLBZAZTESA-N	1	1	368.481	2.472	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416390828	559309607	/nfs/dbraw/zinc/30/96/07/559309607.db2.gz	PSYQLPCKKIRKMQ-LLVKDONJSA-N	1	1	374.304	2.329	20	30		FEEDMO
C=CCc1cc(CNC(=O)N2CC[NH2+]C[C@](C)(F)C2)cc(OC)c1OC	ZINC000417392189	559360635	/nfs/dbraw/zinc/36/06/35/559360635.db2.gz	SLUDQNAKPWJANI-IBGZPJMESA-N	1	1	365.449	2.275	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NCC3(C#N)CCC3)c2)CCO1	ZINC000419428215	559441592	/nfs/dbraw/zinc/44/15/92/559441592.db2.gz	AEOLGTZTSGILIA-MRXNPFEDSA-N	1	1	356.470	2.400	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NCC3(C#N)CCC3)c2)CCO1	ZINC000419428215	559441593	/nfs/dbraw/zinc/44/15/93/559441593.db2.gz	AEOLGTZTSGILIA-MRXNPFEDSA-N	1	1	356.470	2.400	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(CC2([N@@H+](C)Cc3ccccc3)CCC2)C1=O	ZINC000420011500	559468842	/nfs/dbraw/zinc/46/88/42/559468842.db2.gz	YXMFTTWFEBDJHT-KRWDZBQOSA-N	1	1	357.454	2.164	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)NCC[N@@H+](C)[C@H](C)CC)c(C#N)cn1CC	ZINC000421148148	559526813	/nfs/dbraw/zinc/52/68/13/559526813.db2.gz	GCNPUOMJDWNVCD-CYBMUJFWSA-N	1	1	363.462	2.408	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c(C#N)cn1CC	ZINC000421176717	559528955	/nfs/dbraw/zinc/52/89/55/559528955.db2.gz	SVKUMCZOJYJEON-CHWSQXEVSA-N	1	1	361.446	2.113	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCc2ccc(C#N)s2)C[C@H](C)O1	ZINC000422220216	559572114	/nfs/dbraw/zinc/57/21/14/559572114.db2.gz	RVVNIBSHESDONB-QLFBSQMISA-N	1	1	362.499	2.403	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCc2ccc(C#N)s2)C[C@H](C)O1	ZINC000422220216	559572115	/nfs/dbraw/zinc/57/21/15/559572115.db2.gz	RVVNIBSHESDONB-QLFBSQMISA-N	1	1	362.499	2.403	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000422432129	559587891	/nfs/dbraw/zinc/58/78/91/559587891.db2.gz	MDFJLWBSPNHTAM-AZUAARDMSA-N	1	1	369.509	2.423	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1	ZINC000422520479	559592556	/nfs/dbraw/zinc/59/25/56/559592556.db2.gz	BZTCRISTFOPWKL-PMACEKPBSA-N	1	1	371.525	2.384	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1	ZINC000527298832	562284366	/nfs/dbraw/zinc/28/43/66/562284366.db2.gz	ZZBNVDHZGVLDRF-HNNXBMFYSA-N	1	1	359.445	2.146	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000527299984	562284378	/nfs/dbraw/zinc/28/43/78/562284378.db2.gz	PVAIQQQAGRNFEJ-JKSUJKDBSA-N	1	1	370.501	2.135	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000527299984	562284379	/nfs/dbraw/zinc/28/43/79/562284379.db2.gz	PVAIQQQAGRNFEJ-JKSUJKDBSA-N	1	1	370.501	2.135	20	30		FEEDMO
C=CCCn1cc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)nn1	ZINC000424608702	559671036	/nfs/dbraw/zinc/67/10/36/559671036.db2.gz	BNERBPGFCSVFET-MRXNPFEDSA-N	1	1	369.469	2.005	20	30		FEEDMO
C=CCCn1cc(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)nn1	ZINC000424608702	559671037	/nfs/dbraw/zinc/67/10/37/559671037.db2.gz	BNERBPGFCSVFET-MRXNPFEDSA-N	1	1	369.469	2.005	20	30		FEEDMO
CCN1CCC([N@@H+]2CCCN(c3ncc4c(c3C#N)CCC4)CC2)CC1	ZINC000425280455	559694579	/nfs/dbraw/zinc/69/45/79/559694579.db2.gz	KBFJNXGFEYWIJB-UHFFFAOYSA-N	1	1	353.514	2.438	20	30		FEEDMO
CCN1CCC([N@H+]2CCCN(c3ncc4c(c3C#N)CCC4)CC2)CC1	ZINC000425280455	559694580	/nfs/dbraw/zinc/69/45/80/559694580.db2.gz	KBFJNXGFEYWIJB-UHFFFAOYSA-N	1	1	353.514	2.438	20	30		FEEDMO
CCN1CC[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H]1c1ncc[nH]1	ZINC000527317926	562285222	/nfs/dbraw/zinc/28/52/22/562285222.db2.gz	PUQCKLPSIKVDSQ-AWEZNQCLSA-N	1	1	358.471	2.050	20	30		FEEDMO
CCN1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H]1c1ncc[nH]1	ZINC000527317926	562285223	/nfs/dbraw/zinc/28/52/23/562285223.db2.gz	PUQCKLPSIKVDSQ-AWEZNQCLSA-N	1	1	358.471	2.050	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425373786	559698437	/nfs/dbraw/zinc/69/84/37/559698437.db2.gz	NVTIFOZJVNWNGQ-RBUKOAKNSA-N	1	1	355.482	2.144	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000425458145	559703297	/nfs/dbraw/zinc/70/32/97/559703297.db2.gz	LWAWLMFCOBKNNI-HBFSDRIKSA-N	1	1	372.513	2.087	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000425468429	559703761	/nfs/dbraw/zinc/70/37/61/559703761.db2.gz	DOXNWYOZOAJBSE-DLBZAZTESA-N	1	1	357.502	2.144	20	30		FEEDMO
C=CCn1cc(CNC(=O)N(CC)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000425866827	559723266	/nfs/dbraw/zinc/72/32/66/559723266.db2.gz	BXMLNZYGZGMXPZ-LJQANCHMSA-N	1	1	368.485	2.270	20	30		FEEDMO
C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000427696443	559760531	/nfs/dbraw/zinc/76/05/31/559760531.db2.gz	JRQYFXLFXOZDFH-IBGZPJMESA-N	1	1	371.481	2.067	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2ncc(C#N)cc2Cl)C[C@@H](C)O1	ZINC000427926360	559765444	/nfs/dbraw/zinc/76/54/44/559765444.db2.gz	XBOOZMZUOJLPHI-UMVBOHGHSA-N	1	1	362.861	2.320	20	30		FEEDMO
C=C(C)COCCNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000428790344	559783431	/nfs/dbraw/zinc/78/34/31/559783431.db2.gz	WZGQFNSVJYFYCB-SFHVURJKSA-N	1	1	363.527	2.496	20	30		FEEDMO
C=C(C)COCCNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000428790344	559783432	/nfs/dbraw/zinc/78/34/32/559783432.db2.gz	WZGQFNSVJYFYCB-SFHVURJKSA-N	1	1	363.527	2.496	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NCCC3CCCCC3)C2)nc1	ZINC000428791405	559783590	/nfs/dbraw/zinc/78/35/90/559783590.db2.gz	DEQFMKLQTOGSKY-SFHVURJKSA-N	1	1	356.470	2.493	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NCCC3CCCCC3)C2)nc1	ZINC000428791405	559783591	/nfs/dbraw/zinc/78/35/91/559783591.db2.gz	DEQFMKLQTOGSKY-SFHVURJKSA-N	1	1	356.470	2.493	20	30		FEEDMO
COC(=O)[C@H]1CC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)[C@H]1C(C)C	ZINC000429353791	559796716	/nfs/dbraw/zinc/79/67/16/559796716.db2.gz	KSYQRJQBFICNQF-ZNMIVQPWSA-N	1	1	361.467	2.245	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)[C@H]1C(C)C	ZINC000429353791	559796717	/nfs/dbraw/zinc/79/67/17/559796717.db2.gz	KSYQRJQBFICNQF-ZNMIVQPWSA-N	1	1	361.467	2.245	20	30		FEEDMO
C[C@@H](CNC(=O)NCC1(CC#N)CC1)[NH+]1CCN(c2ccccc2)CC1	ZINC000430173747	559814750	/nfs/dbraw/zinc/81/47/50/559814750.db2.gz	XBBWZPLEKQGRID-KRWDZBQOSA-N	1	1	355.486	2.190	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NCC3(CC#N)CC3)c2)CCO1	ZINC000430451871	559820466	/nfs/dbraw/zinc/82/04/66/559820466.db2.gz	UAMWERNAWBYUCX-MRXNPFEDSA-N	1	1	356.470	2.400	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NCC3(CC#N)CC3)c2)CCO1	ZINC000430451871	559820467	/nfs/dbraw/zinc/82/04/67/559820467.db2.gz	UAMWERNAWBYUCX-MRXNPFEDSA-N	1	1	356.470	2.400	20	30		FEEDMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](CCCC#N)c1ccccc1	ZINC000431285681	559836906	/nfs/dbraw/zinc/83/69/06/559836906.db2.gz	UVZAXOURYIJWPF-MJGOQNOKSA-N	1	1	357.502	2.357	20	30		FEEDMO
CN(C)c1nccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)n1	ZINC000433335481	559877334	/nfs/dbraw/zinc/87/73/34/559877334.db2.gz	PQMKECUYUSYACB-UHFFFAOYSA-N	1	1	362.441	2.005	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)CN2CCOCC2)c1	ZINC000434698246	559906225	/nfs/dbraw/zinc/90/62/25/559906225.db2.gz	DIMUMBMUDCRWCP-LJQANCHMSA-N	1	1	372.513	2.203	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)CN2CCOCC2)c1	ZINC000434698246	559906226	/nfs/dbraw/zinc/90/62/26/559906226.db2.gz	DIMUMBMUDCRWCP-LJQANCHMSA-N	1	1	372.513	2.203	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c(-c2ccncc2)n1	ZINC000435135835	559916914	/nfs/dbraw/zinc/91/69/14/559916914.db2.gz	VJOKZTQUPIVVTL-MRXNPFEDSA-N	1	1	366.469	2.336	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CCO)[C@H]1CCCSC1	ZINC000439012452	559987040	/nfs/dbraw/zinc/98/70/40/559987040.db2.gz	UHJHOOHZSXLQAM-AWEZNQCLSA-N	1	1	353.875	2.340	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CCO)[C@H]1CCCSC1	ZINC000439012452	559987041	/nfs/dbraw/zinc/98/70/41/559987041.db2.gz	UHJHOOHZSXLQAM-AWEZNQCLSA-N	1	1	353.875	2.340	20	30		FEEDMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@@H]1C	ZINC000441090057	560023402	/nfs/dbraw/zinc/02/34/02/560023402.db2.gz	CAWPVIZPTATDBT-GJZGRUSLSA-N	1	1	372.469	2.225	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@@H]1C	ZINC000441090057	560023403	/nfs/dbraw/zinc/02/34/03/560023403.db2.gz	CAWPVIZPTATDBT-GJZGRUSLSA-N	1	1	372.469	2.225	20	30		FEEDMO
CCOC(=O)c1ncn(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1N	ZINC000448510306	560188591	/nfs/dbraw/zinc/18/85/91/560188591.db2.gz	NZSOUFSQXNPFDG-UHFFFAOYSA-N	1	1	371.416	2.490	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000448601766	560192087	/nfs/dbraw/zinc/19/20/87/560192087.db2.gz	XESFSEONGHBVGX-GDBMZVCRSA-N	1	1	374.872	2.165	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2C[C@@H](C(=O)OCC)C3(COC3)C2)cc(OC)c1O	ZINC000449365109	560227021	/nfs/dbraw/zinc/22/70/21/560227021.db2.gz	OXESLUKTOMHMLJ-INIZCTEOSA-N	1	1	361.438	2.141	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccc(C#N)cc3)C2)CC1	ZINC000449494043	560231935	/nfs/dbraw/zinc/23/19/35/560231935.db2.gz	FYUWUPZZLHIQPN-OAQYLSRUSA-N	1	1	354.498	2.324	20	30		FEEDMO
CC(=O)N1CCCN(C[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)CC1	ZINC000449494043	560231936	/nfs/dbraw/zinc/23/19/36/560231936.db2.gz	FYUWUPZZLHIQPN-OAQYLSRUSA-N	1	1	354.498	2.324	20	30		FEEDMO
CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1	ZINC000449494043	560231937	/nfs/dbraw/zinc/23/19/37/560231937.db2.gz	FYUWUPZZLHIQPN-OAQYLSRUSA-N	1	1	354.498	2.324	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)COc1ccc(C#N)c(Br)c1	ZINC000449819601	560241081	/nfs/dbraw/zinc/24/10/81/560241081.db2.gz	JAOTZEWIJVJHQK-UHFFFAOYSA-N	1	1	363.215	2.021	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1	ZINC000450911305	560278112	/nfs/dbraw/zinc/27/81/12/560278112.db2.gz	WQZDNRMRBRDJJT-HOTGVXAUSA-N	1	1	359.426	2.123	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1	ZINC000450911305	560278113	/nfs/dbraw/zinc/27/81/13/560278113.db2.gz	WQZDNRMRBRDJJT-HOTGVXAUSA-N	1	1	359.426	2.123	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1	ZINC000450911306	560278206	/nfs/dbraw/zinc/27/82/06/560278206.db2.gz	WQZDNRMRBRDJJT-HZPDHXFCSA-N	1	1	359.426	2.123	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1	ZINC000450911306	560278207	/nfs/dbraw/zinc/27/82/07/560278207.db2.gz	WQZDNRMRBRDJJT-HZPDHXFCSA-N	1	1	359.426	2.123	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)[N@H+]1CCCC[C@H]1C	ZINC000451046868	560284528	/nfs/dbraw/zinc/28/45/28/560284528.db2.gz	AFJSHYWHXVGVJZ-KGLIPLIRSA-N	1	1	353.463	2.380	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1	ZINC000451703125	560323267	/nfs/dbraw/zinc/32/32/67/560323267.db2.gz	DOCRMHOTMOEOHG-OALUTQOASA-N	1	1	356.514	2.448	20	30		FEEDMO
C=CCn1c(N2CC[N@@H+](CCOC)[C@H](CC)C2)nnc1[C@@]1(C)CCCO1	ZINC000453447461	560386753	/nfs/dbraw/zinc/38/67/53/560386753.db2.gz	XKGSDNSPDAHQHT-VQIMIIECSA-N	1	1	363.506	2.037	20	30		FEEDMO
CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)[C@@H](C)C1	ZINC000453665629	560394756	/nfs/dbraw/zinc/39/47/56/560394756.db2.gz	GUBHGGTYIYCGMR-LRDDRELGSA-N	1	1	362.861	2.189	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000453705467	560398357	/nfs/dbraw/zinc/39/83/57/560398357.db2.gz	HKUPDNJIHYQCJQ-LBPRGKRZSA-N	1	1	362.499	2.408	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000453712750	560398871	/nfs/dbraw/zinc/39/88/71/560398871.db2.gz	HQPBWTACEXNGOZ-WMLDXEAASA-N	1	1	374.872	2.287	20	30		FEEDMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H]1C	ZINC000453714302	560399022	/nfs/dbraw/zinc/39/90/22/560399022.db2.gz	JRIRJGLNDAWTST-OLZOCXBDSA-N	1	1	362.861	2.286	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H]1C	ZINC000453714302	560399023	/nfs/dbraw/zinc/39/90/23/560399023.db2.gz	JRIRJGLNDAWTST-OLZOCXBDSA-N	1	1	362.861	2.286	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453714840	560399060	/nfs/dbraw/zinc/39/90/60/560399060.db2.gz	QSHFJLRXDZKOON-CABCVRRESA-N	1	1	374.872	2.430	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C	ZINC000454532740	560448517	/nfs/dbraw/zinc/44/85/17/560448517.db2.gz	ZBHPTWICRYAILW-MLHJIOFPSA-N	1	1	353.507	2.156	20	30		FEEDMO
C=CC[C@@H](CC)NC(=O)N1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1	ZINC000454912648	560463156	/nfs/dbraw/zinc/46/31/56/560463156.db2.gz	NCFJYKVQMDKIEA-RTBURBONSA-N	1	1	364.534	2.317	20	30		FEEDMO
CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000455131811	560471223	/nfs/dbraw/zinc/47/12/23/560471223.db2.gz	BTUMAOGPURGOAO-INIZCTEOSA-N	1	1	353.430	2.087	20	30		FEEDMO
C[C@@H](CO)[N@H+]1CCCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000455728360	560493218	/nfs/dbraw/zinc/49/32/18/560493218.db2.gz	HEXDCECGTWSNPZ-ZDUSSCGKSA-N	1	1	350.850	2.326	20	30		FEEDMO
C=C(CNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1	ZINC000458746641	560645648	/nfs/dbraw/zinc/64/56/48/560645648.db2.gz	BJNNMECNHPJSSA-OAQYLSRUSA-N	1	1	365.477	2.418	20	30		FEEDMO
CC(C)(CCC#N)CNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000458771221	560647419	/nfs/dbraw/zinc/64/74/19/560647419.db2.gz	RCQXARFXHVSHMF-GOSISDBHSA-N	1	1	358.486	2.035	20	30		FEEDMO
CCOCC[N@H+]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)C[C@H]1CC	ZINC000459113124	560667652	/nfs/dbraw/zinc/66/76/52/560667652.db2.gz	HQKVIWHZRUOLCI-QGZVFWFLSA-N	1	1	362.449	2.340	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C	ZINC000460563389	560746276	/nfs/dbraw/zinc/74/62/76/560746276.db2.gz	VHAGOEHYQDQKCW-ZACQAIPSSA-N	1	1	365.522	2.497	20	30		FEEDMO
C=C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1	ZINC000460651649	560748240	/nfs/dbraw/zinc/74/82/40/560748240.db2.gz	YZWBYJPVIJQFFF-XOKHGSTOSA-N	1	1	353.413	2.335	20	30		FEEDMO
C=C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1	ZINC000460651649	560748241	/nfs/dbraw/zinc/74/82/41/560748241.db2.gz	YZWBYJPVIJQFFF-XOKHGSTOSA-N	1	1	353.413	2.335	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1	ZINC000461964910	560790079	/nfs/dbraw/zinc/79/00/79/560790079.db2.gz	WMCTWISTPICAOV-ROUUACIJSA-N	1	1	350.507	2.459	20	30		FEEDMO
COc1cc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1C#N	ZINC000462469328	560811290	/nfs/dbraw/zinc/81/12/90/560811290.db2.gz	ARMHOCQDDGUINW-QGZVFWFLSA-N	1	1	356.470	2.440	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C	ZINC000463672194	560820864	/nfs/dbraw/zinc/82/08/64/560820864.db2.gz	IFVPTLMCAZGIMT-KGLIPLIRSA-N	1	1	351.472	2.108	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)C[C@@H]1C	ZINC000464420367	560841218	/nfs/dbraw/zinc/84/12/18/560841218.db2.gz	PTEPWNAPEQHZRI-ZFWWWQNUSA-N	1	1	351.472	2.060	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000468478415	560930926	/nfs/dbraw/zinc/93/09/26/560930926.db2.gz	BSJHFMBINNKWBG-KRWDZBQOSA-N	1	1	366.469	2.176	20	30		FEEDMO
C=CCC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1	ZINC000472583808	561030025	/nfs/dbraw/zinc/03/00/25/561030025.db2.gz	BRUIDBXGVSCCCD-PKOBYXMFSA-N	1	1	360.498	2.488	20	30		FEEDMO
CN(CC(=O)NCc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000474210686	561068403	/nfs/dbraw/zinc/06/84/03/561068403.db2.gz	KOASWBYTZQFUHA-NRFANRHFSA-N	1	1	362.477	2.381	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)Cc3ccc(C#N)nc3)c2)CCO1	ZINC000528185616	562318072	/nfs/dbraw/zinc/31/80/72/562318072.db2.gz	BEWKGNZPIYYGRD-INIZCTEOSA-N	1	1	364.449	2.033	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)Cc3ccc(C#N)nc3)c2)CCO1	ZINC000528185616	562318073	/nfs/dbraw/zinc/31/80/73/562318073.db2.gz	BEWKGNZPIYYGRD-INIZCTEOSA-N	1	1	364.449	2.033	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)CN1CC[NH+](Cc2cccs2)CC1	ZINC000528350645	562324121	/nfs/dbraw/zinc/32/41/21/562324121.db2.gz	RHQHTGUVFORXOV-KRWDZBQOSA-N	1	1	357.479	2.177	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1	ZINC000528427473	562328812	/nfs/dbraw/zinc/32/88/12/562328812.db2.gz	ZEUNUTBHPKYYHF-WMZOPIPTSA-N	1	1	367.453	2.104	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O	ZINC000528522145	562333852	/nfs/dbraw/zinc/33/38/52/562333852.db2.gz	SKENUGUFBQOYRL-AQNXPRMDSA-N	1	1	366.461	2.302	20	30		FEEDMO
N#Cc1cc(F)ccc1CS(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1	ZINC000528551785	562335801	/nfs/dbraw/zinc/33/58/01/562335801.db2.gz	PFOXVXHUIXZVLH-QGZVFWFLSA-N	1	1	351.447	2.134	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c(F)c1	ZINC000528555262	562336116	/nfs/dbraw/zinc/33/61/16/562336116.db2.gz	WSIIFHYGVDBHGF-INIZCTEOSA-N	1	1	351.447	2.134	20	30		FEEDMO
N#Cc1ccc(C2([NH2+]Cc3nnnn3-c3ccccc3)CCOCC2)cc1	ZINC000528781167	562347311	/nfs/dbraw/zinc/34/73/11/562347311.db2.gz	GNMITECXUNONAF-UHFFFAOYSA-N	1	1	360.421	2.329	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)COc2ccc(C#N)cc2)cc1	ZINC000529834508	562387476	/nfs/dbraw/zinc/38/74/76/562387476.db2.gz	ZCTVPEHDSVOWJM-SFHVURJKSA-N	1	1	365.433	2.336	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)COc2ccc(C#N)cc2)cc1	ZINC000529834508	562387477	/nfs/dbraw/zinc/38/74/77/562387477.db2.gz	ZCTVPEHDSVOWJM-SFHVURJKSA-N	1	1	365.433	2.336	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CC[N@H+]3C3CCCC3)CC2)o1	ZINC000530026775	562394969	/nfs/dbraw/zinc/39/49/69/562394969.db2.gz	IXAKARTYBNXHMG-QGZVFWFLSA-N	1	1	371.485	2.204	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](N2CCCC2=O)C1	ZINC000532580974	562482038	/nfs/dbraw/zinc/48/20/38/562482038.db2.gz	IVKPNYULWPKKSH-MJGOQNOKSA-N	1	1	368.481	2.409	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](N2CCCC2=O)C1	ZINC000532580974	562482039	/nfs/dbraw/zinc/48/20/39/562482039.db2.gz	IVKPNYULWPKKSH-MJGOQNOKSA-N	1	1	368.481	2.409	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C	ZINC000533272136	562503428	/nfs/dbraw/zinc/50/34/28/562503428.db2.gz	KVRPMQNQILDGMM-QLFBSQMISA-N	1	1	374.510	2.463	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C	ZINC000533272136	562503429	/nfs/dbraw/zinc/50/34/29/562503429.db2.gz	KVRPMQNQILDGMM-QLFBSQMISA-N	1	1	374.510	2.463	20	30		FEEDMO
CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000533289957	562504116	/nfs/dbraw/zinc/50/41/16/562504116.db2.gz	HSWNPGCJBYHECG-QAPCUYQASA-N	1	1	373.501	2.404	20	30		FEEDMO
C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc2cc(Cl)ccc2c(=O)[nH]1	ZINC000534097222	562525264	/nfs/dbraw/zinc/52/52/64/562525264.db2.gz	UMHNDQNCVBHYAW-UHFFFAOYSA-N	1	1	371.832	2.230	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc2cc(Cl)ccc2c(=O)[nH]1	ZINC000534097222	562525265	/nfs/dbraw/zinc/52/52/65/562525265.db2.gz	UMHNDQNCVBHYAW-UHFFFAOYSA-N	1	1	371.832	2.230	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCN3C(=O)CC[C@H]3C2)sc2c1CCCC2	ZINC000535033978	562548859	/nfs/dbraw/zinc/54/88/59/562548859.db2.gz	HEDYHLGYMUAQQP-ZDUSSCGKSA-N	1	1	372.494	2.134	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCN3C(=O)CC[C@H]3C2)sc2c1CCCC2	ZINC000535033978	562548860	/nfs/dbraw/zinc/54/88/60/562548860.db2.gz	HEDYHLGYMUAQQP-ZDUSSCGKSA-N	1	1	372.494	2.134	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(OCCO)CC2)c1C	ZINC000535245376	562553786	/nfs/dbraw/zinc/55/37/86/562553786.db2.gz	CQCUVJPHYCGHST-UHFFFAOYSA-N	1	1	359.470	2.023	20	30		FEEDMO
CC(=O)Nc1ccc(S(=O)(=O)CCC[NH+]2CCC(CC#N)CC2)cc1	ZINC000541023699	562600542	/nfs/dbraw/zinc/60/05/42/562600542.db2.gz	GMUPGSLMUKDHPE-UHFFFAOYSA-N	1	1	363.483	2.434	20	30		FEEDMO
CN(C)c1nc(N2CCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)cc[nH+]1	ZINC000541777936	562619812	/nfs/dbraw/zinc/61/98/12/562619812.db2.gz	QVRVAFQREWINKH-UHFFFAOYSA-N	1	1	370.844	2.030	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[N@@H+](C)C1CC1	ZINC000555939982	674381985	/nfs/dbraw/zinc/38/19/85/674381985.db2.gz	GXXYECPUYOVJAB-LLVKDONJSA-N	1	1	362.499	2.455	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)ccc1C#N	ZINC000555947814	674382947	/nfs/dbraw/zinc/38/29/47/674382947.db2.gz	COEDYAMWGXAIAP-ZDUSSCGKSA-N	1	1	372.288	2.083	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1CCC[C@@H]1C#N	ZINC000601853438	567861096	/nfs/dbraw/zinc/86/10/96/567861096.db2.gz	AMMSOGKHZYWYCO-NCOADZHNSA-N	1	1	356.474	2.128	20	30		FEEDMO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1	ZINC000602042879	567910438	/nfs/dbraw/zinc/91/04/38/567910438.db2.gz	OKVMULHZRDISQT-JFIYKMOQSA-N	1	1	353.401	2.061	20	30		FEEDMO
CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCCC#N	ZINC000602245624	567959190	/nfs/dbraw/zinc/95/91/90/567959190.db2.gz	LCDDONOBPZUHQG-LJQANCHMSA-N	1	1	370.497	2.165	20	30		FEEDMO
CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCCCCC#N	ZINC000602245624	567959191	/nfs/dbraw/zinc/95/91/91/567959191.db2.gz	LCDDONOBPZUHQG-LJQANCHMSA-N	1	1	370.497	2.165	20	30		FEEDMO
C[C@H](CCC#N)C[NH+]1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1	ZINC000602445379	567981149	/nfs/dbraw/zinc/98/11/49/567981149.db2.gz	UGVLPYBQMACUJN-MRXNPFEDSA-N	1	1	356.536	2.053	20	30		FEEDMO
N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CCc3ncnn32)CC1	ZINC000602821605	568045158	/nfs/dbraw/zinc/04/51/58/568045158.db2.gz	PFFAKJNWZSSLRH-IAGOWNOFSA-N	1	1	356.861	2.301	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1	ZINC000603209000	568073594	/nfs/dbraw/zinc/07/35/94/568073594.db2.gz	MMHYRKGFKQOPMV-BEFAXECRSA-N	1	1	366.469	2.063	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)n1cc(C[NH2+][C@H]2CCc3ccccc32)nn1	ZINC000603240312	568080398	/nfs/dbraw/zinc/08/03/98/568080398.db2.gz	SBHLAMLETYMJCP-KSSFIOAISA-N	1	1	364.453	2.179	20	30		FEEDMO
COC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000568833570	568231300	/nfs/dbraw/zinc/23/13/00/568231300.db2.gz	ZQUWHYYPPOJHNS-MRXNPFEDSA-N	1	1	367.453	2.431	20	30		FEEDMO
COC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000568833570	568231301	/nfs/dbraw/zinc/23/13/01/568231301.db2.gz	ZQUWHYYPPOJHNS-MRXNPFEDSA-N	1	1	367.453	2.431	20	30		FEEDMO
CCOC(=O)C1CCC([N@@H+](CC)C[C@@H]2CNc3c(C#N)cnn3C2)CC1	ZINC000563149366	568289400	/nfs/dbraw/zinc/28/94/00/568289400.db2.gz	IXYKGTZADZADFG-UQPPLGOBSA-N	1	1	359.474	2.240	20	30		FEEDMO
N#CCCC1CC[NH+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1	ZINC000563144902	568293617	/nfs/dbraw/zinc/29/36/17/568293617.db2.gz	UIEKSBMGCGGQDV-MRXNPFEDSA-N	1	1	356.382	2.242	20	30		FEEDMO
N#CC1(NC(=O)c2ccc3nccnc3n2)CC[NH+](Cc2ccccc2)CC1	ZINC000563155724	568314095	/nfs/dbraw/zinc/31/40/95/568314095.db2.gz	XFYLTFBRRMNCEH-UHFFFAOYSA-N	1	1	372.432	2.313	20	30		FEEDMO
Cc1c(NC(=O)CC[NH+]2CCN([C@H](C#N)C(C)C)CC2)cccc1[N+](=O)[O-]	ZINC000609486927	568346590	/nfs/dbraw/zinc/34/65/90/568346590.db2.gz	UKFFFEXCIRDHIJ-GOSISDBHSA-N	1	1	373.457	2.398	20	30		FEEDMO
CCOC(=O)C1CCC(O)(C[N@@H+](C)CCOCc2ccc(C#N)cc2)CC1	ZINC000569735544	568414889	/nfs/dbraw/zinc/41/48/89/568414889.db2.gz	CUFVLSPFUUNMTG-UHFFFAOYSA-N	1	1	374.481	2.491	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1	ZINC000569994130	568447797	/nfs/dbraw/zinc/44/77/97/568447797.db2.gz	PMWJWIVHRNEUMT-ROUUACIJSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1	ZINC000569994130	568447799	/nfs/dbraw/zinc/44/77/99/568447799.db2.gz	PMWJWIVHRNEUMT-ROUUACIJSA-N	1	1	359.426	2.421	20	30		FEEDMO
N#Cc1ccc(CN2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H](CCO)C2)cc1	ZINC000570151473	568455191	/nfs/dbraw/zinc/45/51/91/568455191.db2.gz	QWOWEHPNFFGZEG-QFIPXVFZSA-N	1	1	360.461	2.499	20	30		FEEDMO
N#Cc1ccc(CN2CC[N@@H+](Cc3ccc(C#N)cc3)[C@@H](CCO)C2)cc1	ZINC000570151473	568455193	/nfs/dbraw/zinc/45/51/93/568455193.db2.gz	QWOWEHPNFFGZEG-QFIPXVFZSA-N	1	1	360.461	2.499	20	30		FEEDMO
N#Cc1ccc(CN2CC[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2CCO)cc1	ZINC000570151473	568455195	/nfs/dbraw/zinc/45/51/95/568455195.db2.gz	QWOWEHPNFFGZEG-QFIPXVFZSA-N	1	1	360.461	2.499	20	30		FEEDMO
N#Cc1ccc(CN2CC[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2CCO)cc1	ZINC000570151473	568455196	/nfs/dbraw/zinc/45/51/96/568455196.db2.gz	QWOWEHPNFFGZEG-QFIPXVFZSA-N	1	1	360.461	2.499	20	30		FEEDMO
C[N@H+](CCC#N)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2	ZINC000736790068	599241026	/nfs/dbraw/zinc/24/10/26/599241026.db2.gz	FQGPHWJVQVKRSS-UHFFFAOYSA-N	1	1	373.486	2.371	20	30		FEEDMO
C[N@@H+](CCC#N)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2	ZINC000736790068	599241029	/nfs/dbraw/zinc/24/10/29/599241029.db2.gz	FQGPHWJVQVKRSS-UHFFFAOYSA-N	1	1	373.486	2.371	20	30		FEEDMO
CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000558549326	674502831	/nfs/dbraw/zinc/50/28/31/674502831.db2.gz	YVOZWMPZMJAWGA-LBPRGKRZSA-N	1	1	350.850	2.387	20	30		FEEDMO
C[NH+](C)Cc1cnc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)s1	ZINC000809639959	674502274	/nfs/dbraw/zinc/50/22/74/674502274.db2.gz	RLRUIGUDOOKZKQ-OCCSQVGLSA-N	1	1	365.503	2.053	20	30		FEEDMO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)n1	ZINC000559184878	674531962	/nfs/dbraw/zinc/53/19/62/674531962.db2.gz	HWRJSCSBIIXPMU-INIZCTEOSA-N	1	1	355.829	2.963	20	30		FEEDMO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)n1	ZINC000559184878	674531963	/nfs/dbraw/zinc/53/19/63/674531963.db2.gz	HWRJSCSBIIXPMU-INIZCTEOSA-N	1	1	355.829	2.963	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCN1Cc1ccccc1C#N	ZINC000822000319	606178279	/nfs/dbraw/zinc/17/82/79/606178279.db2.gz	HRMIEHBFWHXQPK-MRXNPFEDSA-N	1	1	373.464	2.445	20	30		FEEDMO
N#Cc1ccc(C[N@H+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1	ZINC000822825725	606889805	/nfs/dbraw/zinc/88/98/05/606889805.db2.gz	MVSFZJXEHSEKDO-LJQANCHMSA-N	1	1	360.421	2.436	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)c1ccc(C#N)cc1F)CCC(F)(F)F	ZINC000562361229	674746166	/nfs/dbraw/zinc/74/61/66/674746166.db2.gz	RQKWAICHVUQEQO-UHFFFAOYSA-N	1	1	367.368	2.250	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1ccc(C#N)cc1F)CCC(F)(F)F	ZINC000562361229	674746169	/nfs/dbraw/zinc/74/61/69/674746169.db2.gz	RQKWAICHVUQEQO-UHFFFAOYSA-N	1	1	367.368	2.250	20	30		FEEDMO
CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000563133891	674848806	/nfs/dbraw/zinc/84/88/06/674848806.db2.gz	FRWKGGVCPOQUAQ-NSHDSACASA-N	1	1	372.288	2.083	20	30		FEEDMO
C[NH+]1CCN(c2ncc(C=[NH+][N-]c3ccc(F)c(F)c3F)cn2)CC1	ZINC000814945262	674890321	/nfs/dbraw/zinc/89/03/21/674890321.db2.gz	SSXHCUVBGOVXNO-UHFFFAOYSA-N	1	1	350.348	2.092	20	30		FEEDMO
N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1	ZINC000815141543	674923683	/nfs/dbraw/zinc/92/36/83/674923683.db2.gz	BGVJXBFCALGAJA-INIZCTEOSA-N	1	1	361.833	2.163	20	30		FEEDMO
N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1	ZINC000815141543	674923685	/nfs/dbraw/zinc/92/36/85/674923685.db2.gz	BGVJXBFCALGAJA-INIZCTEOSA-N	1	1	361.833	2.163	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C)cc(C(F)(F)F)c1	ZINC000815860429	674978764	/nfs/dbraw/zinc/97/87/64/674978764.db2.gz	KXPFCFJOMDLOQV-UHFFFAOYSA-N	1	1	355.360	2.024	20	30		FEEDMO
Cc1nsc(NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCC[N@H+]2C)c1C#N	ZINC001048062318	675004733	/nfs/dbraw/zinc/00/47/33/675004733.db2.gz	YBEYCUVDVKZKND-IVMMDQJWSA-N	1	1	361.515	2.456	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1c1nc(Cl)c(C#N)s1	ZINC001048710957	675013588	/nfs/dbraw/zinc/01/35/88/675013588.db2.gz	NANYNTGVWZMQOH-GRYCIOLGSA-N	1	1	367.906	2.093	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1	ZINC000816642421	675070435	/nfs/dbraw/zinc/07/04/35/675070435.db2.gz	YXAHTDCHJWGWQV-OAHLLOKOSA-N	1	1	360.845	2.273	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1	ZINC000816642421	675070437	/nfs/dbraw/zinc/07/04/37/675070437.db2.gz	YXAHTDCHJWGWQV-OAHLLOKOSA-N	1	1	360.845	2.273	20	30		FEEDMO
Cc1c(Cl)cnc(NCC2([NH+]3CCOCC3)CCOCC2)c1C#N	ZINC000565408870	675119017	/nfs/dbraw/zinc/11/90/17/675119017.db2.gz	ZZQWVCZSLBLIOV-UHFFFAOYSA-N	1	1	350.850	2.208	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)NC1CCN(CC#N)CC1)c1ccccc1Cl	ZINC000609339533	675918962	/nfs/dbraw/zinc/91/89/62/675918962.db2.gz	CJQDSUGOEKXQCL-QGZVFWFLSA-N	1	1	363.893	2.230	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CSCc1ccc(C#N)cc1	ZINC000590402445	672579451	/nfs/dbraw/zinc/57/94/51/672579451.db2.gz	UGDDQPCEAASZBH-QZTJIDSGSA-N	1	1	359.495	2.113	20	30		FEEDMO
C[N@H+]1CC[C@](O)(CNC(=O)Nc2cccc(C#Cc3cccs3)c2)C1	ZINC000680831679	672605197	/nfs/dbraw/zinc/60/51/97/672605197.db2.gz	KPPDZIADHIBZBA-IBGZPJMESA-N	1	1	355.463	2.336	20	30		FEEDMO
C=CCOCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21	ZINC000681397378	672656495	/nfs/dbraw/zinc/65/64/95/672656495.db2.gz	NCVHROBWYUXCRW-ZDUSSCGKSA-N	1	1	360.273	2.460	20	30		FEEDMO
CC(C)CO[C@@H](C)c1noc(CON=C(N)C[N@@H+]2CCCC[C@H]2C)n1	ZINC000245445673	672818648	/nfs/dbraw/zinc/81/86/48/672818648.db2.gz	KNZJPUJSMUVXTN-KGLIPLIRSA-N	1	1	353.467	2.466	20	30		FEEDMO
CC(C)CO[C@@H](C)c1noc(CON=C(N)C[N@H+]2CCCC[C@H]2C)n1	ZINC000245445673	672818652	/nfs/dbraw/zinc/81/86/52/672818652.db2.gz	KNZJPUJSMUVXTN-KGLIPLIRSA-N	1	1	353.467	2.466	20	30		FEEDMO
CSC[C@@H]1CCC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000247032167	672845632	/nfs/dbraw/zinc/84/56/32/672845632.db2.gz	QTNJPIVJUDIMNU-MAUKXSAKSA-N	1	1	358.467	2.110	20	30		FEEDMO
CSC[C@@H]1CCC[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000247032167	672845639	/nfs/dbraw/zinc/84/56/39/672845639.db2.gz	QTNJPIVJUDIMNU-MAUKXSAKSA-N	1	1	358.467	2.110	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1C#N	ZINC000593392875	672917465	/nfs/dbraw/zinc/91/74/65/672917465.db2.gz	VVDRYXFFKAUVMY-OAHLLOKOSA-N	1	1	350.260	2.464	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccsc1C#N	ZINC000593577394	672949165	/nfs/dbraw/zinc/94/91/65/672949165.db2.gz	JQJDJARKCQAYEC-ZFWWWQNUSA-N	1	1	361.492	2.419	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccsc1C#N	ZINC000593577394	672949167	/nfs/dbraw/zinc/94/91/67/672949167.db2.gz	JQJDJARKCQAYEC-ZFWWWQNUSA-N	1	1	361.492	2.419	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cc1ccc(Br)cc1C#N	ZINC000593577668	672949551	/nfs/dbraw/zinc/94/95/51/672949551.db2.gz	GEOWQLJMNNCKQL-VXGBXAGGSA-N	1	1	350.260	2.414	20	30		FEEDMO
CC[C@@H]1CO[C@@H](C)CN1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000328750136	673065841	/nfs/dbraw/zinc/06/58/41/673065841.db2.gz	BWNAOAQUARYOPP-DLBZAZTESA-N	1	1	353.507	2.435	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)[N@H+](C)C1	ZINC000329069852	673071430	/nfs/dbraw/zinc/07/14/30/673071430.db2.gz	YIDAHUFGULGZOT-RDJZCZTQSA-N	1	1	367.877	2.479	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)[N@@H+](C)C1	ZINC000329069852	673071433	/nfs/dbraw/zinc/07/14/33/673071433.db2.gz	YIDAHUFGULGZOT-RDJZCZTQSA-N	1	1	367.877	2.479	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1	ZINC000595397435	673242268	/nfs/dbraw/zinc/24/22/68/673242268.db2.gz	WOZJJZAXKJJGKP-IBGZPJMESA-N	1	1	355.463	2.252	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1	ZINC000595397435	673242271	/nfs/dbraw/zinc/24/22/71/673242271.db2.gz	WOZJJZAXKJJGKP-IBGZPJMESA-N	1	1	355.463	2.252	20	30		FEEDMO
CS(=O)(=O)N1CC[N@@H+](CCc2ccc(C#N)cc2)Cc2ccccc21	ZINC000595413133	673246297	/nfs/dbraw/zinc/24/62/97/673246297.db2.gz	YADUYAGQGQKUDK-UHFFFAOYSA-N	1	1	355.463	2.383	20	30		FEEDMO
C=CCCSCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000595579934	673269279	/nfs/dbraw/zinc/26/92/79/673269279.db2.gz	DIYDMAKEIOQGLI-SFHVURJKSA-N	1	1	363.527	2.362	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1	ZINC000595628911	673275792	/nfs/dbraw/zinc/27/57/92/673275792.db2.gz	LFYJKPWPPPWGRP-MJBXVCDLSA-N	1	1	364.408	2.473	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1	ZINC000595628911	673275796	/nfs/dbraw/zinc/27/57/96/673275796.db2.gz	LFYJKPWPPPWGRP-MJBXVCDLSA-N	1	1	364.408	2.473	20	30		FEEDMO
CCc1nc(C#N)cc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)n1	ZINC000596210749	673368338	/nfs/dbraw/zinc/36/83/38/673368338.db2.gz	PWJGKZMPVWKMFK-KRWDZBQOSA-N	1	1	353.495	2.940	20	30		FEEDMO
C=CCCSCCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1	ZINC000597217249	673457443	/nfs/dbraw/zinc/45/74/43/673457443.db2.gz	NMLIAEQBCBRGQG-HNNXBMFYSA-N	1	1	355.548	2.039	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)N1CC(C[NH+]2CCOCC2)C1	ZINC000597682536	673499074	/nfs/dbraw/zinc/49/90/74/673499074.db2.gz	QUDWXMUWYJCSDG-UHFFFAOYSA-N	1	1	355.463	2.486	20	30		FEEDMO
C[C@H](C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)N1CC[NH+](C)CC1	ZINC000543585973	673654812	/nfs/dbraw/zinc/65/48/12/673654812.db2.gz	TXWNDMPINRSMLJ-IUODEOHRSA-N	1	1	354.376	2.022	20	30		FEEDMO
C=CCc1cc(OCC)cc(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)c1O	ZINC000740867100	673658034	/nfs/dbraw/zinc/65/80/34/673658034.db2.gz	MKIUGFRQSVBCFQ-AWEZNQCLSA-N	1	1	353.484	2.386	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C	ZINC000747425781	673927779	/nfs/dbraw/zinc/92/77/79/673927779.db2.gz	BQNHKIPMDOWADB-HNNXBMFYSA-N	1	1	351.491	2.093	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C	ZINC000747425781	673927783	/nfs/dbraw/zinc/92/77/83/673927783.db2.gz	BQNHKIPMDOWADB-HNNXBMFYSA-N	1	1	351.491	2.093	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000818615832	675228723	/nfs/dbraw/zinc/22/87/23/675228723.db2.gz	WZZRULXKCJMOQN-MRXNPFEDSA-N	1	1	351.491	2.095	20	30		FEEDMO
C[N@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(C)(C)C1	ZINC000819452854	675291930	/nfs/dbraw/zinc/29/19/30/675291930.db2.gz	VYLZIGYQFDXGFA-CQSZACIVSA-N	1	1	352.479	2.126	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Cl)cc1F	ZINC000820750084	675385008	/nfs/dbraw/zinc/38/50/08/675385008.db2.gz	KEDHLQGRHAPUCV-YOEHRIQHSA-N	1	1	367.852	2.299	20	30		FEEDMO
C=CCOCC[NH+]1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1	ZINC000569006870	675417051	/nfs/dbraw/zinc/41/70/51/675417051.db2.gz	OJYBRCYHQVQGDT-KRWDZBQOSA-N	1	1	352.862	2.374	20	30		FEEDMO
C#CCN(CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)C(=O)OC(C)(C)C	ZINC000821986752	675462472	/nfs/dbraw/zinc/46/24/72/675462472.db2.gz	WXTXGGMJODVLJJ-HZPDHXFCSA-N	1	1	351.491	2.236	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1	ZINC000824976365	675631529	/nfs/dbraw/zinc/63/15/29/675631529.db2.gz	AQELXYWIHJIWGI-LJQANCHMSA-N	1	1	361.511	2.437	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1	ZINC000824976365	675631531	/nfs/dbraw/zinc/63/15/31/675631531.db2.gz	AQELXYWIHJIWGI-LJQANCHMSA-N	1	1	361.511	2.437	20	30		FEEDMO
C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000825838673	675670773	/nfs/dbraw/zinc/67/07/73/675670773.db2.gz	FDYIFSJXAQKYCN-XJKSGUPXSA-N	1	1	354.372	2.434	20	30		FEEDMO
N#Cc1ccc(CNC(=O)CN2CC[NH+](Cc3cccs3)CC2)cc1	ZINC000603629284	675800530	/nfs/dbraw/zinc/80/05/30/675800530.db2.gz	VCHIXXLRXGHYHB-UHFFFAOYSA-N	1	1	354.479	2.054	20	30		FEEDMO
C#CCN(CC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C	ZINC000828596491	675832742	/nfs/dbraw/zinc/83/27/42/675832742.db2.gz	WQLKABLZVGKJDO-CVEARBPZSA-N	1	1	351.491	2.045	20	30		FEEDMO
O=C(C#Cc1cccs1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000828936208	675853286	/nfs/dbraw/zinc/85/32/86/675853286.db2.gz	LCIMGWBZDBZNMA-GOSISDBHSA-N	1	1	354.475	2.373	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(C#N)cc2F)C[C@H]1C	ZINC000616419008	676249608	/nfs/dbraw/zinc/24/96/08/676249608.db2.gz	HASOOBYQOBUHTL-CJNGLKHVSA-N	1	1	353.463	2.332	20	30		FEEDMO
C[C@@H](CCC#N)C[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000618887177	676355687	/nfs/dbraw/zinc/35/56/87/676355687.db2.gz	LFXRBWICFKIBKD-HNNXBMFYSA-N	1	1	353.463	2.462	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1CC#N)c1cccc(F)c1	ZINC000619572073	676385613	/nfs/dbraw/zinc/38/56/13/676385613.db2.gz	MFOCSUWGXYJSIJ-KRWDZBQOSA-N	1	1	361.442	2.473	20	30		FEEDMO
C=C(C)[C@H](CO)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000677479031	679682219	/nfs/dbraw/zinc/68/22/19/679682219.db2.gz	IDZMNRZHMZVZHL-JSGCOSHPSA-N	1	1	368.275	2.432	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(O)(Cc2nc(C)cs2)CC1	ZINC000639805906	677166728	/nfs/dbraw/zinc/16/67/28/677166728.db2.gz	UIJFDDNUMDSPDT-UHFFFAOYSA-N	1	1	351.516	2.246	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c3cccnc32)CC1	ZINC000649739581	677336365	/nfs/dbraw/zinc/33/63/65/677336365.db2.gz	OVQGFXVXFJXHAH-UHFFFAOYSA-N	1	1	361.467	2.172	20	30		FEEDMO
C[C@@H](O)C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1	ZINC000653899861	677553820	/nfs/dbraw/zinc/55/38/20/677553820.db2.gz	JNKGCJOGMQADRS-CYBMUJFWSA-N	1	1	354.372	2.018	20	30		FEEDMO
C=CCNC(=O)C[NH2+]Cc1cn(-c2ccccc2Br)nc1C	ZINC000655756077	677665160	/nfs/dbraw/zinc/66/51/60/677665160.db2.gz	MNVPRJHSHMZQLQ-UHFFFAOYSA-N	1	1	363.259	2.335	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC	ZINC000656190160	677727361	/nfs/dbraw/zinc/72/73/61/677727361.db2.gz	QYIZCQKABSBDCB-CIQAELJKSA-N	1	1	351.491	2.003	20	30		FEEDMO
C#CCOc1ccc(Br)cc1C[NH2+]CCS(=O)(=O)C1CC1	ZINC000840964450	680857607	/nfs/dbraw/zinc/85/76/07/680857607.db2.gz	KRXBTLPPZNJILC-UHFFFAOYSA-N	1	1	372.284	2.128	20	30		FEEDMO
C=C(C)[C@H](CO)[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1	ZINC000677047019	679653011	/nfs/dbraw/zinc/65/30/11/679653011.db2.gz	OUIKKWQUIBMQHW-INIZCTEOSA-N	1	1	362.861	2.445	20	30		FEEDMO
C=C(Br)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2OCC[C@H]2C)CC1	ZINC001016829541	680065176	/nfs/dbraw/zinc/06/51/76/680065176.db2.gz	HQCNUUJOXHJHGR-BNOWGMLFSA-N	1	1	357.292	2.291	20	30		FEEDMO
C=C(Br)CN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC	ZINC001017572044	680077727	/nfs/dbraw/zinc/07/77/27/680077727.db2.gz	RZRCQSCEKNUTHF-XUWVNRHRSA-N	1	1	370.335	2.301	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000832250035	680115969	/nfs/dbraw/zinc/11/59/69/680115969.db2.gz	DKJWCKHBIVSDKN-JKSUJKDBSA-N	1	1	351.491	2.258	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(F)c1C#N)c1ccc(F)cc1	ZINC000751020576	680148746	/nfs/dbraw/zinc/14/87/46/680148746.db2.gz	ISPVSKGAQMITIC-INIZCTEOSA-N	1	1	365.405	2.418	20	30		FEEDMO
N#Cc1ccsc1NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1	ZINC000874154831	685308826	/nfs/dbraw/zinc/30/88/26/685308826.db2.gz	NDESWIHWMBLWSU-HNNXBMFYSA-N	1	1	360.483	2.472	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3c(C)nsc3C)C[C@H]21	ZINC000978719140	680179560	/nfs/dbraw/zinc/17/95/60/680179560.db2.gz	OTLPQMQPAPBATQ-XQZMSQOBSA-N	1	1	361.511	2.145	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1	ZINC000993835927	680191731	/nfs/dbraw/zinc/19/17/31/680191731.db2.gz	FFUBAJAWSWNVPT-BPLDGKMQSA-N	1	1	355.910	2.070	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](C[C@H](O)C2CCCCC2)CC1	ZINC000981994922	680261250	/nfs/dbraw/zinc/26/12/50/680261250.db2.gz	WCLXDSRIHIJOGJ-QYZOEREBSA-N	1	1	350.503	2.053	20	30		FEEDMO
CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H](O)c3ccc(C#N)cc3)sc2C1	ZINC000752836823	680262567	/nfs/dbraw/zinc/26/25/67/680262567.db2.gz	KLURCWPZBCGHET-MRXNPFEDSA-N	1	1	356.451	2.453	20	30		FEEDMO
CC(C)[N@H+]1CCc2nc(NC(=O)[C@H](O)c3ccc(C#N)cc3)sc2C1	ZINC000752836823	680262569	/nfs/dbraw/zinc/26/25/69/680262569.db2.gz	KLURCWPZBCGHET-MRXNPFEDSA-N	1	1	356.451	2.453	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=C1CCCc2ccccc2C1	ZINC000834925701	680282695	/nfs/dbraw/zinc/28/26/95/680282695.db2.gz	QOHVCQOGKDREPN-UHFFFAOYSA-N	1	1	360.527	2.108	20	30		FEEDMO
CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ccc(S(=O)(=O)C(F)F)cc1	ZINC000753939305	680325200	/nfs/dbraw/zinc/32/52/00/680325200.db2.gz	NVMSQNDFVIRXHS-ZIAGYGMSSA-N	1	1	370.425	2.267	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)s2)C(C)(C)C1	ZINC000996409470	680332080	/nfs/dbraw/zinc/33/20/80/680332080.db2.gz	WAXQGEFGHSXELM-LZWOXQAQSA-N	1	1	364.515	2.154	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCOCC1	ZINC001028195803	680372477	/nfs/dbraw/zinc/37/24/77/680372477.db2.gz	WMQMSSJGKNINDB-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2csc(C)n2)C1	ZINC001028549047	680374045	/nfs/dbraw/zinc/37/40/45/680374045.db2.gz	KZOSKSNBIBDVJQ-JQHSSLGASA-N	1	1	363.527	2.413	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2	ZINC000998069340	680374334	/nfs/dbraw/zinc/37/43/34/680374334.db2.gz	BDGBCUJHAMKEJD-FXUDXRNXSA-N	1	1	367.921	2.498	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CCOCC2)C1	ZINC001028548796	680374525	/nfs/dbraw/zinc/37/45/25/680374525.db2.gz	HIVSTASWJKKIDC-QRVBRYPASA-N	1	1	350.503	2.222	20	30		FEEDMO
C=C(Cl)CNC(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000755183362	680404233	/nfs/dbraw/zinc/40/42/33/680404233.db2.gz	ZORWXHPPDCLNKV-AWEZNQCLSA-N	1	1	353.850	2.330	20	30		FEEDMO
C=C(Cl)CNC(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000755183362	680404235	/nfs/dbraw/zinc/40/42/35/680404235.db2.gz	ZORWXHPPDCLNKV-AWEZNQCLSA-N	1	1	353.850	2.330	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CCOCC2)C1	ZINC001033086978	680416639	/nfs/dbraw/zinc/41/66/39/680416639.db2.gz	NOHVIFWOLCMUAQ-OTWHNJEPSA-N	1	1	350.503	2.317	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC001033095754	680417654	/nfs/dbraw/zinc/41/76/54/680417654.db2.gz	DSRMMEBCMQREER-FHLIZLRMSA-N	1	1	360.527	2.383	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](C[C@@H](C)O)C2)CC1	ZINC001035237100	680444777	/nfs/dbraw/zinc/44/47/77/680444777.db2.gz	PWDZDYWTSNOYGH-SQNIBIBYSA-N	1	1	350.503	2.053	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CC#Cc2ccc(Cl)cc2)CC[N@H+]1C	ZINC001038266128	680454789	/nfs/dbraw/zinc/45/47/89/680454789.db2.gz	PJOVNVWCBRTNPR-AYOQOUSVSA-N	1	1	359.901	2.222	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NCC2CCN(Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C	ZINC001001419975	680461119	/nfs/dbraw/zinc/46/11/19/680461119.db2.gz	APSUTKZFXUNESM-RDTXWAMCSA-N	1	1	360.527	2.288	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NCC2CCN(Cc3ccc(C#N)s3)CC2)CC[N@H+]1C	ZINC001001419975	680461121	/nfs/dbraw/zinc/46/11/21/680461121.db2.gz	APSUTKZFXUNESM-RDTXWAMCSA-N	1	1	360.527	2.288	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1	ZINC001039135167	680462014	/nfs/dbraw/zinc/46/20/14/680462014.db2.gz	DWEDQNVYRRLPNT-KBAYOESNSA-N	1	1	369.937	2.019	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCNc1ncc(Cl)cc1Cl	ZINC000836489067	680476243	/nfs/dbraw/zinc/47/62/43/680476243.db2.gz	UNPSMZMVVUKDJD-UHFFFAOYSA-N	1	1	358.273	2.055	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)COc1cccc(Br)c1	ZINC000756540785	680483957	/nfs/dbraw/zinc/48/39/57/680483957.db2.gz	CYMRMAVRXCUNNU-AWEZNQCLSA-N	1	1	352.228	2.469	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)NC(C)(C)CN1CCN(CC)CC1	ZINC000837133848	680557771	/nfs/dbraw/zinc/55/77/71/680557771.db2.gz	BKXFDDSXJUPHMY-KRWDZBQOSA-N	1	1	354.539	2.490	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)NC(C)(C)C[NH+]1CCN(CC)CC1	ZINC000837133848	680557772	/nfs/dbraw/zinc/55/77/72/680557772.db2.gz	BKXFDDSXJUPHMY-KRWDZBQOSA-N	1	1	354.539	2.490	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccccc1Cl)N(C)C	ZINC000837360060	680592048	/nfs/dbraw/zinc/59/20/48/680592048.db2.gz	JUKKDKUOAYJUKI-KRWDZBQOSA-N	1	1	350.894	2.197	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@H](OC)C2CCC2)C1	ZINC001044029269	680606293	/nfs/dbraw/zinc/60/62/93/680606293.db2.gz	BKUVLNPGKGVHQC-FHWLQOOXSA-N	1	1	350.503	2.315	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001007356845	680636486	/nfs/dbraw/zinc/63/64/86/680636486.db2.gz	KCWQIEWCAFKCNS-BBWFWOEESA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1	ZINC001007356845	680636488	/nfs/dbraw/zinc/63/64/88/680636488.db2.gz	KCWQIEWCAFKCNS-BBWFWOEESA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CCCO)C2)C1	ZINC001045973363	680642517	/nfs/dbraw/zinc/64/25/17/680642517.db2.gz	PDJWGHGHROHJIC-BJLQDIEVSA-N	1	1	350.503	2.055	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCCC2CCCC2)C[C@@H]1O	ZINC001047533285	680665401	/nfs/dbraw/zinc/66/54/01/680665401.db2.gz	GQRYXVTWNRZGBL-XWSJACJDSA-N	1	1	350.503	2.051	20	30		FEEDMO
C=C(Br)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001049481242	681032581	/nfs/dbraw/zinc/03/25/81/681032581.db2.gz	HVZDNAOJMITBMJ-KLHDSHLOSA-N	1	1	370.335	2.301	20	30		FEEDMO
CC(C)N(CC(F)(F)F)C(=O)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1	ZINC000844370836	681054611	/nfs/dbraw/zinc/05/46/11/681054611.db2.gz	UKKHSZFSLHOVLC-HNNXBMFYSA-N	1	1	357.376	2.323	20	30		FEEDMO
CC(C)N(CC(F)(F)F)C(=O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1	ZINC000844370836	681054613	/nfs/dbraw/zinc/05/46/13/681054613.db2.gz	UKKHSZFSLHOVLC-HNNXBMFYSA-N	1	1	357.376	2.323	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1c1snc(Cl)c1C#N	ZINC001051027095	681060837	/nfs/dbraw/zinc/06/08/37/681060837.db2.gz	KLWRJXDCJCNDSY-LOWVWBTDSA-N	1	1	367.906	2.236	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001052492915	681079676	/nfs/dbraw/zinc/07/96/76/681079676.db2.gz	INHNCIYHWJXTCI-XQQFMLRXSA-N	1	1	370.799	2.056	20	30		FEEDMO
C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2OCC[C@@H]2Cn2cccn2)CC1	ZINC001052785966	681086028	/nfs/dbraw/zinc/08/60/28/681086028.db2.gz	MYKVXMRDQKIDRH-IXDOHACOSA-N	1	1	366.893	2.011	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccc(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1	ZINC000845738754	681149691	/nfs/dbraw/zinc/14/96/91/681149691.db2.gz	CDJQTSJQTZFQPI-HNNXBMFYSA-N	1	1	366.483	2.181	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](Nc3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001059443677	681180450	/nfs/dbraw/zinc/18/04/50/681180450.db2.gz	JNVPQJNJJAMEHI-GWOFURMSSA-N	1	1	353.879	2.067	20	30		FEEDMO
C#CCCCNC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+](CC)CC	ZINC000774916741	681250422	/nfs/dbraw/zinc/25/04/22/681250422.db2.gz	DBZPDVZWCYPWNP-QGZVFWFLSA-N	1	1	363.889	2.369	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C2)C1=O	ZINC000932709668	681294270	/nfs/dbraw/zinc/29/42/70/681294270.db2.gz	XIGYMMBREBGZCV-JYJNAYRXSA-N	1	1	351.491	2.256	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H](C)C(=O)Nc1sc(C)cc1C(=O)OCC)[C@H]1CCCO1	ZINC000775791269	681335076	/nfs/dbraw/zinc/33/50/76/681335076.db2.gz	LOSITBQMXJMFPQ-AEGPPILISA-N	1	1	364.467	2.331	20	30		FEEDMO
C#C[C@H]1CCCN(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C1	ZINC000847265514	681355585	/nfs/dbraw/zinc/35/55/85/681355585.db2.gz	AKXUXZDZCSHHGB-DLBZAZTESA-N	1	1	360.527	2.091	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H](C3CCOCC3)C2)c1	ZINC000933083420	681360104	/nfs/dbraw/zinc/36/01/04/681360104.db2.gz	HAVNQNBUKIVMQN-GOSISDBHSA-N	1	1	362.495	2.471	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1	ZINC000933083420	681360109	/nfs/dbraw/zinc/36/01/09/681360109.db2.gz	HAVNQNBUKIVMQN-GOSISDBHSA-N	1	1	362.495	2.471	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1F	ZINC000933085588	681360146	/nfs/dbraw/zinc/36/01/46/681360146.db2.gz	FAUXUPSEMYWGKG-UHFFFAOYSA-N	1	1	365.474	2.477	20	30		FEEDMO
C#Cc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Cl)c1	ZINC000933374621	681401095	/nfs/dbraw/zinc/40/10/95/681401095.db2.gz	MYHADWGAOMECEK-AWEZNQCLSA-N	1	1	362.861	2.030	20	30		FEEDMO
C=CC1(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000933492780	681420601	/nfs/dbraw/zinc/42/06/01/681420601.db2.gz	VLOIVMJWJNQXTB-LSDHHAIUSA-N	1	1	351.491	2.399	20	30		FEEDMO
C[NH+]1CCC(CNC(=O)C2(C#N)CCSCC2)(N2CCCCC2)CC1	ZINC000933629577	681442537	/nfs/dbraw/zinc/44/25/37/681442537.db2.gz	SPNOWUPSRJEOPJ-UHFFFAOYSA-N	1	1	364.559	2.090	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[NH2+]CCS(=O)(=O)NC(C)(C)C	ZINC000778165516	681582205	/nfs/dbraw/zinc/58/22/05/681582205.db2.gz	PZYGPJZTNUUMMB-UHFFFAOYSA-N	1	1	358.891	2.160	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000778633501	681632651	/nfs/dbraw/zinc/63/26/51/681632651.db2.gz	FENTXBRMQHYHRI-HZPDHXFCSA-N	1	1	350.459	2.274	20	30		FEEDMO
CCOc1c(Br)cc(C=NNC2=[NH+]C[C@@H](C)N2)cc1OC	ZINC000779792478	681753178	/nfs/dbraw/zinc/75/31/78/681753178.db2.gz	SCPLPMJDAOPMDH-SECBINFHSA-N	1	1	355.236	2.128	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](C)C[C@@H]2CC)c1	ZINC000935775888	681819450	/nfs/dbraw/zinc/81/94/50/681819450.db2.gz	ODFCMUNDLLBBDA-KRWDZBQOSA-N	1	1	362.495	2.040	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[N@H+](C)C[C@@H]2CC)c1	ZINC000935775888	681819457	/nfs/dbraw/zinc/81/94/57/681819457.db2.gz	ODFCMUNDLLBBDA-KRWDZBQOSA-N	1	1	362.495	2.040	20	30		FEEDMO
C=CCCn1cc(C[NH2+]C[C@@H]2C[C@H](F)CN2C(=O)OC(C)(C)C)nn1	ZINC000850305785	681882602	/nfs/dbraw/zinc/88/26/02/681882602.db2.gz	CGDKCCYIGQNXGV-ZFWWWQNUSA-N	1	1	353.442	2.291	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)Cc2csc(C#N)c2)[C@@H]1c1ccccc1	ZINC000914301797	685503101	/nfs/dbraw/zinc/50/31/01/685503101.db2.gz	JBUYLVNFUSECLY-SJORKVTESA-N	1	1	361.492	2.485	20	30		FEEDMO
C=C(Br)CNC(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000914418354	685507379	/nfs/dbraw/zinc/50/73/79/685507379.db2.gz	IHEANKDVRJAGMW-KQTLUZQSSA-N	1	1	374.323	2.064	20	30		FEEDMO
C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC000961376963	682091012	/nfs/dbraw/zinc/09/10/12/682091012.db2.gz	ULGXFVDXUQJXPU-WDSOQIARSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC000961834304	682100867	/nfs/dbraw/zinc/10/08/67/682100867.db2.gz	VOZLVLJPIQZYOP-GFEQUFNTSA-N	1	1	359.901	2.131	20	30		FEEDMO
CCOc1cc(C=NN2CC[NH+](C)CC2)cc(Br)c1OC	ZINC000916248678	685522879	/nfs/dbraw/zinc/52/28/79/685522879.db2.gz	IOWLYAULBQNQFD-UHFFFAOYSA-N	1	1	356.264	2.438	20	30		FEEDMO
C#CC[N@@H+](CC#CC)C[C@@H](O)COc1cc(F)cc(Br)c1	ZINC000784342359	682217995	/nfs/dbraw/zinc/21/79/95/682217995.db2.gz	SQARLVWNXDUHKW-OAHLLOKOSA-N	1	1	354.219	2.286	20	30		FEEDMO
C#CC[N@H+](CC#CC)C[C@@H](O)COc1cc(F)cc(Br)c1	ZINC000784342359	682217996	/nfs/dbraw/zinc/21/79/96/682217996.db2.gz	SQARLVWNXDUHKW-OAHLLOKOSA-N	1	1	354.219	2.286	20	30		FEEDMO
N#Cc1ccc(CC[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1	ZINC000852134623	682225999	/nfs/dbraw/zinc/22/59/99/682225999.db2.gz	FQANFFSXRAPNJP-JKSUJKDBSA-N	1	1	351.372	2.443	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cs1	ZINC000917980529	685536133	/nfs/dbraw/zinc/53/61/33/685536133.db2.gz	SCAHDHHUQFOPTJ-HNNXBMFYSA-N	1	1	353.513	2.446	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(CC)s2)C1	ZINC000970221489	682289725	/nfs/dbraw/zinc/28/97/25/682289725.db2.gz	ZDWGAVKMAZYJML-KEYYUXOJSA-N	1	1	364.515	2.162	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C3CC3)s2)C1	ZINC000970242108	682290950	/nfs/dbraw/zinc/29/09/50/682290950.db2.gz	SNYGUDQRJVTEHX-YCPHGPKFSA-N	1	1	362.499	2.087	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)OC	ZINC000852570925	682302200	/nfs/dbraw/zinc/30/22/00/682302200.db2.gz	XIQJGKFMPAYDIV-AWEZNQCLSA-N	1	1	353.488	2.281	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)OC	ZINC000852570925	682302204	/nfs/dbraw/zinc/30/22/04/682302204.db2.gz	XIQJGKFMPAYDIV-AWEZNQCLSA-N	1	1	353.488	2.281	20	30		FEEDMO
C#CCC[N@@H+](CCOC)CC(=O)Nc1cc2c(cc1Cl)OCCCO2	ZINC000852753017	682336080	/nfs/dbraw/zinc/33/60/80/682336080.db2.gz	UEQUBAVHRABNQR-UHFFFAOYSA-N	1	1	366.845	2.412	20	30		FEEDMO
C#CCC[N@H+](CCOC)CC(=O)Nc1cc2c(cc1Cl)OCCCO2	ZINC000852753017	682336085	/nfs/dbraw/zinc/33/60/85/682336085.db2.gz	UEQUBAVHRABNQR-UHFFFAOYSA-N	1	1	366.845	2.412	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1	ZINC000971980934	682385178	/nfs/dbraw/zinc/38/51/78/682385178.db2.gz	DMGNUCXMGCCSAN-OLMNPRSZSA-N	1	1	359.495	2.468	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]21	ZINC000972339410	682407347	/nfs/dbraw/zinc/40/73/47/682407347.db2.gz	FBYUJVLESWWMPF-NUEKZKHPSA-N	1	1	367.921	2.166	20	30		FEEDMO
N#Cc1ncc(Br)cc1N1CCC([N@H+]2CCCOCC2)CC1	ZINC000853688592	682456351	/nfs/dbraw/zinc/45/63/51/682456351.db2.gz	QVHHIJSJBFREIR-UHFFFAOYSA-N	1	1	365.275	2.407	20	30		FEEDMO
C[N@@H+](CCn1cc(C#N)c(I)n1)Cc1ccccc1	ZINC000853726490	682461551	/nfs/dbraw/zinc/46/15/51/682461551.db2.gz	WPFUHPZMRIYYPT-UHFFFAOYSA-N	1	1	366.206	2.491	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1cccc(OCC(F)(F)F)c1	ZINC000794346579	682959425	/nfs/dbraw/zinc/95/94/25/682959425.db2.gz	LWCMLXSCCUIOTE-INIZCTEOSA-N	1	1	354.372	2.384	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1cccc(OCC(F)(F)F)c1	ZINC000794346579	682959427	/nfs/dbraw/zinc/95/94/27/682959427.db2.gz	LWCMLXSCCUIOTE-INIZCTEOSA-N	1	1	354.372	2.384	20	30		FEEDMO
C[NH+]1CCN(N=Cc2c(F)ccc(I)c2F)CC1	ZINC000794444566	682969443	/nfs/dbraw/zinc/96/94/43/682969443.db2.gz	FBCIEVWTQWKTBG-UHFFFAOYSA-N	1	1	365.165	2.151	20	30		FEEDMO
C=C(C)CNC(=S)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000795132609	683021433	/nfs/dbraw/zinc/02/14/33/683021433.db2.gz	WKDFHUVABLPUGD-IBGZPJMESA-N	1	1	358.555	2.329	20	30		FEEDMO
C#CCCN1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1	ZINC000859004002	683024687	/nfs/dbraw/zinc/02/46/87/683024687.db2.gz	ZQBZECLOZCYDCP-IBGZPJMESA-N	1	1	359.901	2.472	20	30		FEEDMO
C#CCCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1	ZINC000859004002	683024688	/nfs/dbraw/zinc/02/46/88/683024688.db2.gz	ZQBZECLOZCYDCP-IBGZPJMESA-N	1	1	359.901	2.472	20	30		FEEDMO
C=CCn1nnn(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1=S	ZINC000795691841	683081110	/nfs/dbraw/zinc/08/11/10/683081110.db2.gz	CGCMDNXCCSQBEY-ZACQAIPSSA-N	1	1	357.483	2.457	20	30		FEEDMO
C=CCn1nnn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1=S	ZINC000795691841	683081115	/nfs/dbraw/zinc/08/11/15/683081115.db2.gz	CGCMDNXCCSQBEY-ZACQAIPSSA-N	1	1	357.483	2.457	20	30		FEEDMO
Cc1c[nH+]cn1CC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000859950655	683176445	/nfs/dbraw/zinc/17/64/45/683176445.db2.gz	FWSZFRMQRFTDHN-NSHDSACASA-N	1	1	358.423	2.184	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C	ZINC000796690689	683186165	/nfs/dbraw/zinc/18/61/65/683186165.db2.gz	VKXCGKPGAJKWMS-LSDHHAIUSA-N	1	1	350.459	2.273	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000920419352	683339738	/nfs/dbraw/zinc/33/97/38/683339738.db2.gz	ZNVGLISZKCFDCE-INIZCTEOSA-N	1	1	351.491	2.424	20	30		FEEDMO
C#C[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1	ZINC000861884255	683492660	/nfs/dbraw/zinc/49/26/60/683492660.db2.gz	KOJDJVZPFJHCGH-RCCFBDPRSA-N	1	1	354.475	2.074	20	30		FEEDMO
CC[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)C(=O)N1CCOCC1	ZINC000921820272	683583105	/nfs/dbraw/zinc/58/31/05/683583105.db2.gz	FCSPIUOXSNPOKI-OAHLLOKOSA-N	1	1	366.259	2.048	20	30		FEEDMO
C#CC[N@H+](CC)C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000929787260	683638770	/nfs/dbraw/zinc/63/87/70/683638770.db2.gz	KMHYDTKCUFVUCM-INIZCTEOSA-N	1	1	354.372	2.122	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCO[C@](C)(C[NH2+]Cc2nc(C#N)cs2)C1	ZINC000922787492	683783459	/nfs/dbraw/zinc/78/34/59/683783459.db2.gz	LMZQMJICRSHIRF-MRXNPFEDSA-N	1	1	352.460	2.130	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)C1	ZINC000923559460	684305723	/nfs/dbraw/zinc/30/57/23/684305723.db2.gz	FGUFHDSAFOQHQG-NSHDSACASA-N	1	1	362.783	2.078	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)C1	ZINC000923559460	684305732	/nfs/dbraw/zinc/30/57/32/684305732.db2.gz	FGUFHDSAFOQHQG-NSHDSACASA-N	1	1	362.783	2.078	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000923571169	684306978	/nfs/dbraw/zinc/30/69/78/684306978.db2.gz	AFNKXESRDRVNQD-GFCCVEGCSA-N	1	1	355.316	2.441	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000923571169	684306987	/nfs/dbraw/zinc/30/69/87/684306987.db2.gz	AFNKXESRDRVNQD-GFCCVEGCSA-N	1	1	355.316	2.441	20	30		FEEDMO
C[N@@H+](CCO)CCNC(=O)c1ccccc1Sc1ccccc1C#N	ZINC000925009666	684515978	/nfs/dbraw/zinc/51/59/78/684515978.db2.gz	KIVZPKXQNXVZSD-UHFFFAOYSA-N	1	1	355.463	2.363	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@@H](c3ccc(OC)c(Cl)c3)C2=O)C1	ZINC000925325485	684549778	/nfs/dbraw/zinc/54/97/78/684549778.db2.gz	LSZDLYOHGAZZQW-BBRMVZONSA-N	1	1	361.829	2.039	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@@H](c3ccc(OC)c(Cl)c3)C2=O)C1	ZINC000925325485	684549779	/nfs/dbraw/zinc/54/97/79/684549779.db2.gz	LSZDLYOHGAZZQW-BBRMVZONSA-N	1	1	361.829	2.039	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000872664420	685000814	/nfs/dbraw/zinc/00/08/14/685000814.db2.gz	ROUCPEAGACJGDU-LSDHHAIUSA-N	1	1	373.400	2.434	20	30		FEEDMO
C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880221780	687018991	/nfs/dbraw/zinc/01/89/91/687018991.db2.gz	RMLOROALPZYAFR-GJYPPUQNSA-N	1	1	354.491	2.414	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@H](c2nccs2)C1	ZINC000880323925	687035340	/nfs/dbraw/zinc/03/53/40/687035340.db2.gz	WYVQUOZGIOUMJQ-CQSZACIVSA-N	1	1	351.431	2.232	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(Br)cn2)C1	ZINC000884311230	687843731	/nfs/dbraw/zinc/84/37/31/687843731.db2.gz	VFCJETRFEAZSPO-GXTWGEPZSA-N	1	1	365.275	2.302	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(Br)cn2)C1	ZINC000884311230	687843739	/nfs/dbraw/zinc/84/37/39/687843739.db2.gz	VFCJETRFEAZSPO-GXTWGEPZSA-N	1	1	365.275	2.302	20	30		FEEDMO
N#CC1(C[C@@H](O)C[NH+]2CCN(CCCOCC(F)(F)F)CC2)CCC1	ZINC000885964646	688187535	/nfs/dbraw/zinc/18/75/35/688187535.db2.gz	DMCXZSQOHIXBED-OAHLLOKOSA-N	1	1	363.424	2.018	20	30		FEEDMO
C#CC[N@H+](CCCC(=O)N(C)C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426059	688253293	/nfs/dbraw/zinc/25/32/93/688253293.db2.gz	GCTMQVHGTHONCO-UHFFFAOYSA-N	1	1	351.491	2.190	20	30		FEEDMO
C[C@]1(C#N)CN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCO1	ZINC000892512370	689206778	/nfs/dbraw/zinc/20/67/78/689206778.db2.gz	RFUVKWQVDPWTNM-QAPCUYQASA-N	1	1	362.499	2.284	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@@](C)(C#N)C2)[C@@H]1c1cccs1	ZINC000893201064	689312679	/nfs/dbraw/zinc/31/26/79/689312679.db2.gz	VOQHNPXLTITIGW-KYJSFNMBSA-N	1	1	362.499	2.455	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1nc(C#N)cs1	ZINC000894231969	689491355	/nfs/dbraw/zinc/49/13/55/689491355.db2.gz	AOXKLFWLWMGWJO-XJKSGUPXSA-N	1	1	355.467	2.334	20	30		FEEDMO
CCOc1c(Br)cc(C[NH2+][C@H]2CCCN(O)C2=O)cc1OC	ZINC000895164518	689669621	/nfs/dbraw/zinc/66/96/21/689669621.db2.gz	DCSZNZFLICEKDM-LBPRGKRZSA-N	1	1	373.247	2.326	20	30		FEEDMO
C#CC1(O)CC[NH+](Cc2ccc(C(=O)OC)c(Br)c2)CC1	ZINC000895386201	689707748	/nfs/dbraw/zinc/70/77/48/689707748.db2.gz	VIHIOFVEIULVMP-UHFFFAOYSA-N	1	1	352.228	2.196	20	30		FEEDMO
C#CC1(O)CC[NH+](C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1	ZINC000895385446	689707803	/nfs/dbraw/zinc/70/78/03/689707803.db2.gz	CDFLOCSDAONQDJ-LBPRGKRZSA-N	1	1	350.381	2.292	20	30		FEEDMO
CO[C@@]1(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CCSC1	ZINC000895526466	689730387	/nfs/dbraw/zinc/73/03/87/689730387.db2.gz	MLHHUIOEROINSJ-IBGZPJMESA-N	1	1	359.495	2.115	20	30		FEEDMO
CO[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCSC1	ZINC000895526466	689730388	/nfs/dbraw/zinc/73/03/88/689730388.db2.gz	MLHHUIOEROINSJ-IBGZPJMESA-N	1	1	359.495	2.115	20	30		FEEDMO
C#C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccc(Br)cc1	ZINC000895687569	689754995	/nfs/dbraw/zinc/75/49/95/689754995.db2.gz	WCUIAPSUFBGVQG-LZWOXQAQSA-N	1	1	362.271	2.326	20	30		FEEDMO
CC(C)[N@H+]1CC[C@H](C(=O)Nc2ncc(C#N)s2)[C@H](c2cnn(C)c2)C1	ZINC000896494059	689880965	/nfs/dbraw/zinc/88/09/65/689880965.db2.gz	HRUCUOMTLSGEJD-GJZGRUSLSA-N	1	1	358.471	2.201	20	30		FEEDMO
C[N@@H+]1CCN(C(=O)NCc2nc(C#N)cs2)[C@H](Cc2ccccc2)C1	ZINC000897271720	689998023	/nfs/dbraw/zinc/99/80/23/689998023.db2.gz	RHAGORCUXXWXAA-MRXNPFEDSA-N	1	1	355.467	2.083	20	30		FEEDMO
C[N@H+]1CCN(C(=O)NCc2nc(C#N)cs2)[C@H](Cc2ccccc2)C1	ZINC000897271720	689998025	/nfs/dbraw/zinc/99/80/25/689998025.db2.gz	RHAGORCUXXWXAA-MRXNPFEDSA-N	1	1	355.467	2.083	20	30		FEEDMO
COCCO[C@]12CCC[C@@]1([NH2+]Cc1cc(C#N)cnc1Cl)CCO2	ZINC000897999755	690113213	/nfs/dbraw/zinc/11/32/13/690113213.db2.gz	SNEAMJISRBROHS-IAGOWNOFSA-N	1	1	351.834	2.399	20	30		FEEDMO
C[N@H+]1CCC[C@](O)(CC(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)C1	ZINC000900645417	690542874	/nfs/dbraw/zinc/54/28/74/690542874.db2.gz	YEUXKFOUYGSDDW-ZBFHGGJFSA-N	1	1	355.360	2.233	20	30		FEEDMO
C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)[C@H]1C[N@@H+](C)CCN1C	ZINC000900801170	690564196	/nfs/dbraw/zinc/56/41/96/690564196.db2.gz	BJENEGDEFYUZII-IINYFYTJSA-N	1	1	355.269	2.229	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nnc(Cl)cc1C#N)C2	ZINC001164815694	720090124	/nfs/dbraw/zinc/09/01/24/720090124.db2.gz	ZELMUHMCGNTLLB-CRAIPNDOSA-N	1	1	361.877	2.186	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3ncc4c(c3C#N)CCCC4)CC[C@H]2C1	ZINC001164863004	720891106	/nfs/dbraw/zinc/89/11/06/720891106.db2.gz	SGJGXTUBYBAKGL-PXNSSMCTSA-N	1	1	370.497	2.006	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5[nH]c(C#N)cc5n4)C[C@@H]3C2)cn1	ZINC001164771483	721186822	/nfs/dbraw/zinc/18/68/22/721186822.db2.gz	QLHHQIYLPBVFJL-HOTGVXAUSA-N	1	1	361.453	2.126	20	30		FEEDMO
Cc1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ncc1C#N	ZINC001164892490	721403924	/nfs/dbraw/zinc/40/39/24/721403924.db2.gz	YKPSUCLYMANKFH-FPOVZHCZSA-N	1	1	369.513	2.027	20	30		FEEDMO
N#Cc1c(F)ccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164979216	722126486	/nfs/dbraw/zinc/12/64/86/722126486.db2.gz	POVJIDWZPQWWOK-QFBILLFUSA-N	1	1	367.428	2.215	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)CNc1ccc(C#N)cn1)C1CC1	ZINC000482259266	887353305	/nfs/dbraw/zinc/35/33/05/887353305.db2.gz	GKXSCQUIAAIENN-LJQANCHMSA-N	1	1	363.465	2.392	20	30		FEEDMO
C#CCOc1ccc(Br)cc1C[NH2+][C@H](C)C(=O)NCCF	ZINC000800292007	674038486	/nfs/dbraw/zinc/03/84/86/674038486.db2.gz	IYDAISVKLCUWPC-LLVKDONJSA-N	1	1	357.223	2.025	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)COc2ccccc2F)CC1	ZINC000025698424	539766488	/nfs/dbraw/zinc/76/64/88/539766488.db2.gz	AZPBUFCHANDTRO-AZUAARDMSA-N	1	1	369.440	2.448	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccsc3)CC2)cc1	ZINC000025700444	539766594	/nfs/dbraw/zinc/76/65/94/539766594.db2.gz	KDKJDRXZPMMWBL-LJQANCHMSA-N	1	1	371.506	2.372	20	30		FEEDMO
COC(=O)c1cc(C[N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)oc1C	ZINC000028694930	539835736	/nfs/dbraw/zinc/83/57/36/539835736.db2.gz	LHIPGYNWUYYSJZ-OAHLLOKOSA-N	1	1	358.394	2.118	20	30		FEEDMO
COC(=O)c1cc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)oc1C	ZINC000028694930	539835738	/nfs/dbraw/zinc/83/57/38/539835738.db2.gz	LHIPGYNWUYYSJZ-OAHLLOKOSA-N	1	1	358.394	2.118	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@@H]3CCC[C@@H](C)C3)CC2)o1	ZINC000029820688	539865321	/nfs/dbraw/zinc/86/53/21/539865321.db2.gz	YROXLTRLTOTOCT-GDBMZVCRSA-N	1	1	359.474	2.014	20	30		FEEDMO
CC(C)N(C)C(=O)C1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000030977384	539895255	/nfs/dbraw/zinc/89/52/55/539895255.db2.gz	CDXNFKXNNCYOQK-DNVCBOLYSA-N	1	1	350.507	2.008	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)c1ccsc1	ZINC000041649739	540029321	/nfs/dbraw/zinc/02/93/21/540029321.db2.gz	PNVTVDZTTAKKSS-INIZCTEOSA-N	1	1	372.450	2.008	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1	ZINC000042979230	540084693	/nfs/dbraw/zinc/08/46/93/540084693.db2.gz	XWHATIMRXVXYJX-UZLBHIALSA-N	1	1	362.518	2.154	20	30		FEEDMO
N#Cc1cccc(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1	ZINC000043329564	540097372	/nfs/dbraw/zinc/09/73/72/540097372.db2.gz	WAFDDAJRBDISMH-LJQANCHMSA-N	1	1	350.422	2.099	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1sccc1C#N)[N@@H+](C)Cc1ccccc1	ZINC000550380104	674092333	/nfs/dbraw/zinc/09/23/33/674092333.db2.gz	AJBQKGGBDWQRNL-CYBMUJFWSA-N	1	1	356.451	2.195	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)[N@H+]3CCCC[C@H]3C)cc2C1=O	ZINC000046593538	540263097	/nfs/dbraw/zinc/26/30/97/540263097.db2.gz	UMFFPFXLHYEHAM-CABCVRRESA-N	1	1	369.465	2.461	20	30		FEEDMO
O=C(NCC#Cc1ccccc1)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000046888850	540275495	/nfs/dbraw/zinc/27/54/95/540275495.db2.gz	STZDGYPZBHMTHD-UHFFFAOYSA-N	1	1	363.461	2.370	20	30		FEEDMO
CCCCN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000046798894	540271301	/nfs/dbraw/zinc/27/13/01/540271301.db2.gz	MPHSOQTXVOAAMI-UHFFFAOYSA-N	1	1	364.515	2.043	20	30		FEEDMO
CCCCN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000046798894	540271304	/nfs/dbraw/zinc/27/13/04/540271304.db2.gz	MPHSOQTXVOAAMI-UHFFFAOYSA-N	1	1	364.515	2.043	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000047416588	540308660	/nfs/dbraw/zinc/30/86/60/540308660.db2.gz	JJMFEJHGCVSUSF-GASCZTMLSA-N	1	1	372.513	2.280	20	30		FEEDMO
Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1	ZINC000047859034	540331025	/nfs/dbraw/zinc/33/10/25/540331025.db2.gz	HYKBJZYRRPMWAH-IBGZPJMESA-N	1	1	366.465	2.132	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1	ZINC000048046406	540341542	/nfs/dbraw/zinc/34/15/42/540341542.db2.gz	GKAGAMBLMYPUCM-OXJNMPFZSA-N	1	1	362.518	2.011	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C(=O)Nc1cccc(C#N)c1)Cc1ccccc1	ZINC000049305427	540386987	/nfs/dbraw/zinc/38/69/87/540386987.db2.gz	VXQQQLUIYKUJSQ-UHFFFAOYSA-N	1	1	350.422	2.135	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000051060161	540421205	/nfs/dbraw/zinc/42/12/05/540421205.db2.gz	FFABCAPEPAOCIT-DLBZAZTESA-N	1	1	362.518	2.346	20	30		FEEDMO
CNC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2cccc(C)c2C)CC1	ZINC000051505514	540435856	/nfs/dbraw/zinc/43/58/56/540435856.db2.gz	FDIBYLFBJPPVEP-UHFFFAOYSA-N	1	1	356.470	2.008	20	30		FEEDMO
CCCCN(C)C(=O)C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000052185869	540457149	/nfs/dbraw/zinc/45/71/49/540457149.db2.gz	VXDVBAXSIBDZBZ-UHFFFAOYSA-N	1	1	362.518	2.300	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3sccc3C#N)cc2)CC1	ZINC000052032288	540451806	/nfs/dbraw/zinc/45/18/06/540451806.db2.gz	JGIAECXPBQWASH-UHFFFAOYSA-N	1	1	368.462	2.189	20	30		FEEDMO
CC(=O)NCC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1	ZINC000052849198	540493141	/nfs/dbraw/zinc/49/31/41/540493141.db2.gz	QIQKKQWRFLPXET-HNNXBMFYSA-N	1	1	374.460	2.309	20	30		FEEDMO
CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1COc2ccccc2O1	ZINC000052920336	540499636	/nfs/dbraw/zinc/49/96/36/540499636.db2.gz	ULJLIAXUBTZZCO-QGZVFWFLSA-N	1	1	370.453	2.194	20	30		FEEDMO
CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1COc2ccccc2O1	ZINC000052920336	540499639	/nfs/dbraw/zinc/49/96/39/540499639.db2.gz	ULJLIAXUBTZZCO-QGZVFWFLSA-N	1	1	370.453	2.194	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1Cl	ZINC000052929705	540500436	/nfs/dbraw/zinc/50/04/36/540500436.db2.gz	XWIDSXWQKOHRPW-OAHLLOKOSA-N	1	1	374.872	2.388	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1Cl	ZINC000052929705	540500441	/nfs/dbraw/zinc/50/04/41/540500441.db2.gz	XWIDSXWQKOHRPW-OAHLLOKOSA-N	1	1	374.872	2.388	20	30		FEEDMO
C=CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(OC)cc1	ZINC000054272345	540579609	/nfs/dbraw/zinc/57/96/09/540579609.db2.gz	KUWBGXMMJPHYKO-UHFFFAOYSA-N	1	1	359.348	2.071	20	30		FEEDMO
C=CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(OC)cc1	ZINC000054272345	540579610	/nfs/dbraw/zinc/57/96/10/540579610.db2.gz	KUWBGXMMJPHYKO-UHFFFAOYSA-N	1	1	359.348	2.071	20	30		FEEDMO
CC(=O)Nc1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2	ZINC000054391633	540587524	/nfs/dbraw/zinc/58/75/24/540587524.db2.gz	TVWSLIKGGRPPQH-GOSISDBHSA-N	1	1	365.433	2.315	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNS(=O)(=O)N(C)CCC#N)C1	ZINC000056064568	540698647	/nfs/dbraw/zinc/69/86/47/540698647.db2.gz	KGWNZIXHUJPWDA-MRXNPFEDSA-N	1	1	364.515	2.098	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cccc(CC#N)c3)cc2)CC1	ZINC000056299513	540717138	/nfs/dbraw/zinc/71/71/38/540717138.db2.gz	LKCWPUQCJUIXQI-UHFFFAOYSA-N	1	1	362.433	2.393	20	30		FEEDMO
CC[N@@H+](C)[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1	ZINC000057835178	540818253	/nfs/dbraw/zinc/81/82/53/540818253.db2.gz	BRIVWHPVICIWRM-FQEVSTJZSA-N	1	1	363.465	2.295	20	30		FEEDMO
CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1	ZINC000057700698	540809401	/nfs/dbraw/zinc/80/94/01/540809401.db2.gz	WJSAWPNKPCUJSY-UHFFFAOYSA-N	1	1	362.861	2.483	20	30		FEEDMO
Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCC(C#N)CC3)CC2)cc1	ZINC000060893116	541123528	/nfs/dbraw/zinc/12/35/28/541123528.db2.gz	LUSGYLQTWNPWRQ-UHFFFAOYSA-N	1	1	354.498	2.265	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(c2nccs2)CC1	ZINC000064401932	541204455	/nfs/dbraw/zinc/20/44/55/541204455.db2.gz	ZHPMAEYIRMIVMN-OAHLLOKOSA-N	1	1	361.515	2.386	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(c2nccs2)CC1	ZINC000064401932	541204456	/nfs/dbraw/zinc/20/44/56/541204456.db2.gz	ZHPMAEYIRMIVMN-OAHLLOKOSA-N	1	1	361.515	2.386	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1	ZINC000066621362	541348730	/nfs/dbraw/zinc/34/87/30/541348730.db2.gz	FOGYBPPRWQVOCN-KRWDZBQOSA-N	1	1	368.481	2.314	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000067033477	541409008	/nfs/dbraw/zinc/40/90/08/541409008.db2.gz	ZINYTVQEJTVZPP-INIZCTEOSA-N	1	1	370.501	2.096	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)c1	ZINC000067379609	541452902	/nfs/dbraw/zinc/45/29/02/541452902.db2.gz	BOAJNABPDQJQSF-UHFFFAOYSA-N	1	1	367.449	2.438	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1	ZINC000067393165	541455114	/nfs/dbraw/zinc/45/51/14/541455114.db2.gz	YTLRXDWJYMLJLA-INIZCTEOSA-N	1	1	372.469	2.132	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000067398050	541457197	/nfs/dbraw/zinc/45/71/97/541457197.db2.gz	VRBBBTPSUOOSLS-QWHCGFSZSA-N	1	1	362.861	2.387	20	30		FEEDMO
C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000543929768	541684960	/nfs/dbraw/zinc/68/49/60/541684960.db2.gz	XHSKPPBMKHPNIL-CYBMUJFWSA-N	1	1	373.844	2.304	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@@H]1COc2ccccc2O1	ZINC000072535433	541828078	/nfs/dbraw/zinc/82/80/78/541828078.db2.gz	IFLFMIZICLMENJ-JKSUJKDBSA-N	1	1	357.454	2.489	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@@H]1COc2ccccc2O1	ZINC000072535433	541828081	/nfs/dbraw/zinc/82/80/81/541828081.db2.gz	IFLFMIZICLMENJ-JKSUJKDBSA-N	1	1	357.454	2.489	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@]3(CNC(=O)C3)C1)CCC2	ZINC000072831273	541876391	/nfs/dbraw/zinc/87/63/91/541876391.db2.gz	HUSYIFXENODGEK-LJQANCHMSA-N	1	1	372.494	2.039	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@H](O)COCc1ccccc1	ZINC000074289090	542064195	/nfs/dbraw/zinc/06/41/95/542064195.db2.gz	STKVJCRBAXPWES-IBGZPJMESA-N	1	1	367.449	2.396	20	30		FEEDMO
CCN1CC[NH+](CCC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1	ZINC000075536208	542186521	/nfs/dbraw/zinc/18/65/21/542186521.db2.gz	AJARLTZONXQSRU-WOJBJXKFSA-N	1	1	354.498	2.312	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)c(F)c1	ZINC000076982098	542338872	/nfs/dbraw/zinc/33/88/72/542338872.db2.gz	NDFLAMXFSVCMEV-KRWDZBQOSA-N	1	1	371.460	2.013	20	30		FEEDMO
C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@]3(C#N)CCSC3)cc2)C[C@@H](C)O1	ZINC000077036456	542343096	/nfs/dbraw/zinc/34/30/96/542343096.db2.gz	NALVFMUFTNVHAB-CLCXKQKWSA-N	1	1	359.495	2.425	20	30		FEEDMO
CCCC[N@H+](CCOc1ccc(C#N)cc1OC)[C@H]1CCS(=O)(=O)C1	ZINC000077284195	542361284	/nfs/dbraw/zinc/36/12/84/542361284.db2.gz	CWXYKZJMBLLPBU-INIZCTEOSA-N	1	1	366.483	2.235	20	30		FEEDMO
CCCC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@H]1CCS(=O)(=O)C1	ZINC000077284195	542361286	/nfs/dbraw/zinc/36/12/86/542361286.db2.gz	CWXYKZJMBLLPBU-INIZCTEOSA-N	1	1	366.483	2.235	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000077371652	542373860	/nfs/dbraw/zinc/37/38/60/542373860.db2.gz	YAFYDFMNDPVIQI-UWJYYQICSA-N	1	1	354.498	2.391	20	30		FEEDMO
C[C@H](C#N)OCC[N@@H+](C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1	ZINC000801946949	674156346	/nfs/dbraw/zinc/15/63/46/674156346.db2.gz	QTECGYNMMVRKIY-HUUCEWRRSA-N	1	1	351.472	2.148	20	30		FEEDMO
CC(C)[C@H](CNC(=O)[C@@H](Oc1ccccc1C#N)C(C)C)[NH+]1CCOCC1	ZINC000080326249	542584391	/nfs/dbraw/zinc/58/43/91/542584391.db2.gz	MNVLPLUVDBDJNB-ICSRJNTNSA-N	1	1	373.497	2.435	20	30		FEEDMO
CN1C(=O)NC2(CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)C1=O	ZINC000090005781	542780991	/nfs/dbraw/zinc/78/09/91/542780991.db2.gz	ZUFRPPGKOWFJAT-UHFFFAOYSA-N	1	1	365.355	2.073	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2Cc2cnc3ccc(C#N)cn23)C[C@H](C)O1	ZINC000092506605	542867244	/nfs/dbraw/zinc/86/72/44/542867244.db2.gz	LVGUUKFHELNPRR-JZXOWHBKSA-N	1	1	353.470	2.280	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)C[C@H](C)O1	ZINC000092506605	542867247	/nfs/dbraw/zinc/86/72/47/542867247.db2.gz	LVGUUKFHELNPRR-JZXOWHBKSA-N	1	1	353.470	2.280	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)C[C@H](C)O1	ZINC000092506605	542867250	/nfs/dbraw/zinc/86/72/50/542867250.db2.gz	LVGUUKFHELNPRR-JZXOWHBKSA-N	1	1	353.470	2.280	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2ccc(Cl)cc2)CC1	ZINC000092617271	542875440	/nfs/dbraw/zinc/87/54/40/542875440.db2.gz	GKZNVJPWHKMNES-SFHVURJKSA-N	1	1	362.905	2.464	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2ccc(Cl)cc2)CC1	ZINC000092617271	542875445	/nfs/dbraw/zinc/87/54/45/542875445.db2.gz	GKZNVJPWHKMNES-SFHVURJKSA-N	1	1	362.905	2.464	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)CC1	ZINC000092643035	542876932	/nfs/dbraw/zinc/87/69/32/542876932.db2.gz	HDNRQXQFTMMTOB-QFBILLFUSA-N	1	1	358.486	2.077	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)CC1	ZINC000092643035	542876936	/nfs/dbraw/zinc/87/69/36/542876936.db2.gz	HDNRQXQFTMMTOB-QFBILLFUSA-N	1	1	358.486	2.077	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CC[C@H](N3CCN(CC)CC3)C2)cc(OC)c1O	ZINC000093132885	542910907	/nfs/dbraw/zinc/91/09/07/542910907.db2.gz	KMKVIWJDZVVNFJ-IBGZPJMESA-N	1	1	359.514	2.341	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CC[C@H](N3CCN(CC)CC3)C2)cc(OC)c1O	ZINC000093132885	542910912	/nfs/dbraw/zinc/91/09/12/542910912.db2.gz	KMKVIWJDZVVNFJ-IBGZPJMESA-N	1	1	359.514	2.341	20	30		FEEDMO
COCC[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H](C)C(N)=O	ZINC000093139035	542912025	/nfs/dbraw/zinc/91/20/25/542912025.db2.gz	ZJRXBRKWGLEDJS-MRXNPFEDSA-N	1	1	367.449	2.459	20	30		FEEDMO
COCC[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)[C@H](C)C(N)=O	ZINC000093139035	542912029	/nfs/dbraw/zinc/91/20/29/542912029.db2.gz	ZJRXBRKWGLEDJS-MRXNPFEDSA-N	1	1	367.449	2.459	20	30		FEEDMO
COc1cncc(N2CC[NH+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)n1	ZINC000093477382	542932013	/nfs/dbraw/zinc/93/20/13/542932013.db2.gz	YABDIIFNEWUFDL-HNNXBMFYSA-N	1	1	353.426	2.098	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104712459	543138251	/nfs/dbraw/zinc/13/82/51/543138251.db2.gz	SKWZCYYGADBXHQ-INIZCTEOSA-N	1	1	354.454	2.410	20	30		FEEDMO
N#Cc1ccc(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(F)c1	ZINC000105600798	543177470	/nfs/dbraw/zinc/17/74/70/543177470.db2.gz	FROLWWSOLNHVPR-UHFFFAOYSA-N	1	1	366.440	2.131	20	30		FEEDMO
CN(C(=O)C[N@@H+](C)C[C@@H]1CCCN1c1cccnn1)C1(C#N)CCCCC1	ZINC000106089345	543193731	/nfs/dbraw/zinc/19/37/31/543193731.db2.gz	MXEXCISQTYJTDS-KRWDZBQOSA-N	1	1	370.501	2.062	20	30		FEEDMO
COCC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000111208787	543385490	/nfs/dbraw/zinc/38/54/90/543385490.db2.gz	FZXWRXNUJGHCRT-OAHLLOKOSA-N	1	1	355.360	2.170	20	30		FEEDMO
COCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000111208787	543385492	/nfs/dbraw/zinc/38/54/92/543385492.db2.gz	FZXWRXNUJGHCRT-OAHLLOKOSA-N	1	1	355.360	2.170	20	30		FEEDMO
C[N@H+](CCn1cccn1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000111280608	543392466	/nfs/dbraw/zinc/39/24/66/543392466.db2.gz	BFNDRVMMSDIHFB-UHFFFAOYSA-N	1	1	364.371	2.002	20	30		FEEDMO
C[N@@H+](CCn1cccn1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000111280608	543392468	/nfs/dbraw/zinc/39/24/68/543392468.db2.gz	BFNDRVMMSDIHFB-UHFFFAOYSA-N	1	1	364.371	2.002	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C(C)(C)C(=O)N(C)C	ZINC000114458344	543516890	/nfs/dbraw/zinc/51/68/90/543516890.db2.gz	ZSPVWDSFYVHWGE-ZDUSSCGKSA-N	1	1	362.499	2.476	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)c2ccc(C#N)nc2)[C@H](c2ccccc2)C1	ZINC000115330757	543559990	/nfs/dbraw/zinc/55/99/90/543559990.db2.gz	DKGUEEUTOWDDGJ-FQEVSTJZSA-N	1	1	363.465	2.062	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)c2ccc(C#N)nc2)[C@H](c2ccccc2)C1	ZINC000115330757	543559992	/nfs/dbraw/zinc/55/99/92/543559992.db2.gz	DKGUEEUTOWDDGJ-FQEVSTJZSA-N	1	1	363.465	2.062	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)c2ccc(C#N)nc2)[C@H](c2ccccc2)C1	ZINC000115330757	543559993	/nfs/dbraw/zinc/55/99/93/543559993.db2.gz	DKGUEEUTOWDDGJ-FQEVSTJZSA-N	1	1	363.465	2.062	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C	ZINC000121329059	543692680	/nfs/dbraw/zinc/69/26/80/543692680.db2.gz	MBSBIOGGQNBWHS-KRWDZBQOSA-N	1	1	372.469	2.083	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C	ZINC000121329059	543692684	/nfs/dbraw/zinc/69/26/84/543692684.db2.gz	MBSBIOGGQNBWHS-KRWDZBQOSA-N	1	1	372.469	2.083	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C	ZINC000121329196	543692961	/nfs/dbraw/zinc/69/29/61/543692961.db2.gz	MBSBIOGGQNBWHS-QGZVFWFLSA-N	1	1	372.469	2.083	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C	ZINC000121329196	543692962	/nfs/dbraw/zinc/69/29/62/543692962.db2.gz	MBSBIOGGQNBWHS-QGZVFWFLSA-N	1	1	372.469	2.083	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000119298625	543666005	/nfs/dbraw/zinc/66/60/05/543666005.db2.gz	KTRXHHYOBXTAGY-ZBFHGGJFSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[N@H+](CC(=O)N(CCC#N)c1ccccc1)CC(C)(C)CN1CCOCC1	ZINC000124069011	543799436	/nfs/dbraw/zinc/79/94/36/543799436.db2.gz	RWSPMLABZOXVEB-UHFFFAOYSA-N	1	1	372.513	2.223	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC(C)(C)CN1CCOCC1	ZINC000124202449	543806673	/nfs/dbraw/zinc/80/66/73/543806673.db2.gz	WFXRMGGAUMJPOY-KRWDZBQOSA-N	1	1	364.534	2.008	20	30		FEEDMO
C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3ccc(CC#N)cc3)C2)CC1	ZINC000125419836	543880476	/nfs/dbraw/zinc/88/04/76/543880476.db2.gz	NUAOTUSFOMNGDW-LJQANCHMSA-N	1	1	355.486	2.386	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[N@@H+]1C1CC1	ZINC000126087029	543917099	/nfs/dbraw/zinc/91/70/99/543917099.db2.gz	HINNNGHCFVDQOY-MFKMUULPSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[N@H+]1C1CC1	ZINC000126087029	543917101	/nfs/dbraw/zinc/91/71/01/543917101.db2.gz	HINNNGHCFVDQOY-MFKMUULPSA-N	1	1	373.400	2.481	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(OC(F)(F)F)c1	ZINC000127779166	544013648	/nfs/dbraw/zinc/01/36/48/544013648.db2.gz	SDKYEPPDXQNFRK-NSHDSACASA-N	1	1	359.348	2.417	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1	ZINC000127779166	544013650	/nfs/dbraw/zinc/01/36/50/544013650.db2.gz	SDKYEPPDXQNFRK-NSHDSACASA-N	1	1	359.348	2.417	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2OC(F)F)CC1	ZINC000127355218	543987883	/nfs/dbraw/zinc/98/78/83/543987883.db2.gz	REKVXKYZDQJGIO-CQSZACIVSA-N	1	1	351.397	2.256	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1	ZINC000129290011	544103814	/nfs/dbraw/zinc/10/38/14/544103814.db2.gz	GEHQIMGXCBUMGX-SFHVURJKSA-N	1	1	370.497	2.108	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1	ZINC000129290011	544103815	/nfs/dbraw/zinc/10/38/15/544103815.db2.gz	GEHQIMGXCBUMGX-SFHVURJKSA-N	1	1	370.497	2.108	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1	ZINC000129290011	544103816	/nfs/dbraw/zinc/10/38/16/544103816.db2.gz	GEHQIMGXCBUMGX-SFHVURJKSA-N	1	1	370.497	2.108	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1	ZINC000130529539	544154750	/nfs/dbraw/zinc/15/47/50/544154750.db2.gz	FNGQQYCFMXFDLR-INIZCTEOSA-N	1	1	359.470	2.443	20	30		FEEDMO
C=CCC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1ccccc1	ZINC000131059720	544175843	/nfs/dbraw/zinc/17/58/43/544175843.db2.gz	ZQWYJSDAVAGPJW-AZUAARDMSA-N	1	1	361.486	2.076	20	30		FEEDMO
CN(CCC#N)C(=O)CC[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1	ZINC000131165816	544179099	/nfs/dbraw/zinc/17/90/99/544179099.db2.gz	BERMJKSNBFEOFL-UHFFFAOYSA-N	1	1	370.284	2.273	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1	ZINC000133924421	544288003	/nfs/dbraw/zinc/28/80/03/544288003.db2.gz	UZRUMRRWKMUXTC-INIZCTEOSA-N	1	1	372.469	2.084	20	30		FEEDMO
C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1)C1CC1	ZINC000142536519	544417511	/nfs/dbraw/zinc/41/75/11/544417511.db2.gz	VCGIWEKYJQVRFB-INIZCTEOSA-N	1	1	367.497	2.255	20	30		FEEDMO
C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1)C1CC1	ZINC000142536519	544417514	/nfs/dbraw/zinc/41/75/14/544417514.db2.gz	VCGIWEKYJQVRFB-INIZCTEOSA-N	1	1	367.497	2.255	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000151603899	544561372	/nfs/dbraw/zinc/56/13/72/544561372.db2.gz	UVFDFISGIGMJTP-KRWDZBQOSA-N	1	1	354.454	2.268	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C[N@H+]1C1CC1	ZINC000151867091	544590311	/nfs/dbraw/zinc/59/03/11/544590311.db2.gz	WSKNANWDTFBUAX-UONOGXRCSA-N	1	1	372.494	2.372	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)CN(C)C[C@H]2CCC[N@H+](C)C2)c(OC)c1	ZINC000152473794	544658968	/nfs/dbraw/zinc/65/89/68/544658968.db2.gz	KOKUIYJYAFEXDS-OALUTQOASA-N	1	1	362.514	2.437	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)CN(C)C[C@H]2CCC[N@@H+](C)C2)c(OC)c1	ZINC000152473794	544658972	/nfs/dbraw/zinc/65/89/72/544658972.db2.gz	KOKUIYJYAFEXDS-OALUTQOASA-N	1	1	362.514	2.437	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)C[C@H]2CCCN(C)C2)c(OC)c1	ZINC000152473794	544658975	/nfs/dbraw/zinc/65/89/75/544658975.db2.gz	KOKUIYJYAFEXDS-OALUTQOASA-N	1	1	362.514	2.437	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@H]2CCCN(C)C2)c(OC)c1	ZINC000152473794	544658979	/nfs/dbraw/zinc/65/89/79/544658979.db2.gz	KOKUIYJYAFEXDS-OALUTQOASA-N	1	1	362.514	2.437	20	30		FEEDMO
CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153262678	544754088	/nfs/dbraw/zinc/75/40/88/544754088.db2.gz	JRLLSCGIKSZYRU-UHFFFAOYSA-N	1	1	368.485	2.165	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153319440	544759995	/nfs/dbraw/zinc/75/99/95/544759995.db2.gz	IZELRYZERHDTKX-NSHDSACASA-N	1	1	360.849	2.409	20	30		FEEDMO
C[C@H](O)C[C@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000153162290	544741383	/nfs/dbraw/zinc/74/13/83/544741383.db2.gz	WYXOMQLPXNFCQI-WMLDXEAASA-N	1	1	368.399	2.408	20	30		FEEDMO
COc1cc(N[C@H]2CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)cc(OC)c1	ZINC000155185145	544999022	/nfs/dbraw/zinc/99/90/22/544999022.db2.gz	GRYCJHUBVIABTR-CVEARBPZSA-N	1	1	374.485	2.341	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1	ZINC000179549097	327649285	/nfs/dbraw/zinc/64/92/85/327649285.db2.gz	GFSFBFBFAYUTPT-LJQANCHMSA-N	1	1	362.433	2.450	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1C#N	ZINC000188917139	328117659	/nfs/dbraw/zinc/11/76/59/328117659.db2.gz	YZSBWJFLFFDYOK-UHFFFAOYSA-N	1	1	365.437	2.020	20	30		FEEDMO
Cn1cc(CN2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1C#N	ZINC000191327457	328260438	/nfs/dbraw/zinc/26/04/38/328260438.db2.gz	YSMKDOZELIUGQG-UHFFFAOYSA-N	1	1	351.498	2.146	20	30		FEEDMO
COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000191501059	328268765	/nfs/dbraw/zinc/26/87/65/328268765.db2.gz	XFSKWVRVFJUTDK-PMACEKPBSA-N	1	1	354.450	2.487	20	30		FEEDMO
Cc1nc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1C#N	ZINC000192220140	328307478	/nfs/dbraw/zinc/30/74/78/328307478.db2.gz	LSPLPZAAQDZMKN-IBGZPJMESA-N	1	1	364.449	2.283	20	30		FEEDMO
CCN(CC)C(=O)[C@H]1CCC[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000192556696	328325487	/nfs/dbraw/zinc/32/54/87/328325487.db2.gz	FDJALVCRJDHJNS-RTBURBONSA-N	1	1	368.481	2.386	20	30		FEEDMO
CCN(CC)C(=O)[C@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000192556696	328325489	/nfs/dbraw/zinc/32/54/89/328325489.db2.gz	FDJALVCRJDHJNS-RTBURBONSA-N	1	1	368.481	2.386	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)c2ccnc(C#N)c2)[C@H](c2ccccc2)C1	ZINC000192637594	328330094	/nfs/dbraw/zinc/33/00/94/328330094.db2.gz	BQJFMRJHKJHWSY-FQEVSTJZSA-N	1	1	363.465	2.062	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)c2ccnc(C#N)c2)[C@H](c2ccccc2)C1	ZINC000192637594	328330097	/nfs/dbraw/zinc/33/00/97/328330097.db2.gz	BQJFMRJHKJHWSY-FQEVSTJZSA-N	1	1	363.465	2.062	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)c2ccnc(C#N)c2)[C@H](c2ccccc2)C1	ZINC000192637594	328330099	/nfs/dbraw/zinc/33/00/99/328330099.db2.gz	BQJFMRJHKJHWSY-FQEVSTJZSA-N	1	1	363.465	2.062	20	30		FEEDMO
Cn1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c(-c2ccncc2)n1	ZINC000193691396	328389679	/nfs/dbraw/zinc/38/96/79/328389679.db2.gz	GWXQTDXRLQXGHT-UHFFFAOYSA-N	1	1	359.437	2.071	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@H](O)C2)c1C#N	ZINC000078390777	325044769	/nfs/dbraw/zinc/04/47/69/325044769.db2.gz	SARGDQIBEVPWOG-INIZCTEOSA-N	1	1	370.453	2.403	20	30		FEEDMO
COc1cc(C[N@@H+]2CCNC(=O)CC2)ccc1OCc1cccc(C#N)c1	ZINC000116878552	326039190	/nfs/dbraw/zinc/03/91/90/326039190.db2.gz	MKDHTHOLHDMWNN-UHFFFAOYSA-N	1	1	365.433	2.468	20	30		FEEDMO
COc1cc(C[N@H+]2CCNC(=O)CC2)ccc1OCc1cccc(C#N)c1	ZINC000116878552	326039193	/nfs/dbraw/zinc/03/91/93/326039193.db2.gz	MKDHTHOLHDMWNN-UHFFFAOYSA-N	1	1	365.433	2.468	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000118126795	326084024	/nfs/dbraw/zinc/08/40/24/326084024.db2.gz	KESGVHGDAQKXFH-INIZCTEOSA-N	1	1	372.469	2.275	20	30		FEEDMO
CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000120144375	326234106	/nfs/dbraw/zinc/23/41/06/326234106.db2.gz	FKKJHTIGFSQFKN-CYBMUJFWSA-N	1	1	371.453	2.483	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000120144375	326234108	/nfs/dbraw/zinc/23/41/08/326234108.db2.gz	FKKJHTIGFSQFKN-CYBMUJFWSA-N	1	1	371.453	2.483	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C(=O)NC2CC2)sc2c1CCC2	ZINC000121370495	326333067	/nfs/dbraw/zinc/33/30/67/326333067.db2.gz	VXOCQOHOLBGQHW-HNNXBMFYSA-N	1	1	372.494	2.180	20	30		FEEDMO
C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000121447125	326339236	/nfs/dbraw/zinc/33/92/36/326339236.db2.gz	RYKWKRHAJCRSOM-CQSZACIVSA-N	1	1	366.469	2.096	20	30		FEEDMO
Cn1cc(C(=O)NCC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)cn1	ZINC000159854998	326944260	/nfs/dbraw/zinc/94/42/60/326944260.db2.gz	VSTKZPFRNAWSCQ-UHFFFAOYSA-N	1	1	355.417	2.073	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(Cc3cc(F)ccc3C#N)CC2)CC1	ZINC000160304118	326960862	/nfs/dbraw/zinc/96/08/62/326960862.db2.gz	WSPHXBNONYVBOR-UHFFFAOYSA-N	1	1	372.488	2.464	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000170648458	327090731	/nfs/dbraw/zinc/09/07/31/327090731.db2.gz	FIELSCIZVRFKAF-HNNXBMFYSA-N	1	1	358.442	2.343	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000170648458	327090732	/nfs/dbraw/zinc/09/07/32/327090732.db2.gz	FIELSCIZVRFKAF-HNNXBMFYSA-N	1	1	358.442	2.343	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C/c2ccccc2C#N)CC1	ZINC000170953413	327109728	/nfs/dbraw/zinc/10/97/28/327109728.db2.gz	MJPXRRXBTINIMK-XTXLJPNXSA-N	1	1	352.482	2.200	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@H+](C2CCCC2)CC1	ZINC000172419304	327200986	/nfs/dbraw/zinc/20/09/86/327200986.db2.gz	FIZCTKXTCNOHNB-UHFFFAOYSA-N	1	1	370.497	2.273	20	30		FEEDMO
CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000173532809	327264349	/nfs/dbraw/zinc/26/43/49/327264349.db2.gz	NJKHKRQOYGNHIW-GOSISDBHSA-N	1	1	370.478	2.238	20	30		FEEDMO
CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000173532809	327264350	/nfs/dbraw/zinc/26/43/50/327264350.db2.gz	NJKHKRQOYGNHIW-GOSISDBHSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3sccc3C#N)c2)CC1	ZINC000173831553	327287380	/nfs/dbraw/zinc/28/73/80/327287380.db2.gz	QPIWCCRPHQRNBO-UHFFFAOYSA-N	1	1	368.462	2.189	20	30		FEEDMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)NCc2cc(C#N)ccc2F)C[C@H](C)O1	ZINC000174030503	327302595	/nfs/dbraw/zinc/30/25/95/327302595.db2.gz	VTVBZNCVGUPGMY-KBPBESRZSA-N	1	1	362.449	2.384	20	30		FEEDMO
CC(C)[C@@H](C(=O)NCCOc1ccc(C#N)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000174158281	327309505	/nfs/dbraw/zinc/30/95/05/327309505.db2.gz	MCQDARZPZYQQHC-MDZRGWNJSA-N	1	1	359.470	2.187	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCCN(c2nc(C)ns2)CC1	ZINC000174165895	327309844	/nfs/dbraw/zinc/30/98/44/327309844.db2.gz	HVQMOZVKWKRMCP-UHFFFAOYSA-N	1	1	373.482	2.318	20	30		FEEDMO
CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000175022956	327368889	/nfs/dbraw/zinc/36/88/89/327368889.db2.gz	YISFJINUNHMBHZ-OAHLLOKOSA-N	1	1	355.442	2.357	20	30		FEEDMO
C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000264746130	329056172	/nfs/dbraw/zinc/05/61/72/329056172.db2.gz	UCLIWLQFJKKDNC-GDBMZVCRSA-N	1	1	363.458	2.143	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)[C@@H]3CCN(C)C3=O)sc2C1	ZINC000265677711	329149295	/nfs/dbraw/zinc/14/92/95/329149295.db2.gz	ZTKUSZOCMQCTSM-SWLSCSKDSA-N	1	1	374.510	2.236	20	30		FEEDMO
COC(=O)[C@]1(F)CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000267865766	329364151	/nfs/dbraw/zinc/36/41/51/329364151.db2.gz	YWTLQIAJKIELTK-INIZCTEOSA-N	1	1	353.781	2.127	20	30		FEEDMO
COC(=O)[C@]1(F)CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000267865766	329364152	/nfs/dbraw/zinc/36/41/52/329364152.db2.gz	YWTLQIAJKIELTK-INIZCTEOSA-N	1	1	353.781	2.127	20	30		FEEDMO
CC(C)C(=O)NC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000272297965	329768012	/nfs/dbraw/zinc/76/80/12/329768012.db2.gz	ICECHKCGZIOJAH-LJQANCHMSA-N	1	1	368.481	2.290	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cnn(CCF)c3)CC2)cc1	ZINC000288714075	330187657	/nfs/dbraw/zinc/18/76/57/330187657.db2.gz	ALUSSMJZAFQOQM-UHFFFAOYSA-N	1	1	355.417	2.072	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cnn(CCF)c3)CC2)cc1	ZINC000288714075	330187660	/nfs/dbraw/zinc/18/76/60/330187660.db2.gz	ALUSSMJZAFQOQM-UHFFFAOYSA-N	1	1	355.417	2.072	20	30		FEEDMO
C[NH+]1CCC2(CCCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1	ZINC000367201683	330229444	/nfs/dbraw/zinc/22/94/44/330229444.db2.gz	USCDMZYNMXGSJQ-LJQANCHMSA-N	1	1	352.482	2.471	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000377929928	330252219	/nfs/dbraw/zinc/25/22/19/330252219.db2.gz	AZNBBFNGENLDPY-GOSISDBHSA-N	1	1	357.502	2.326	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCCN(c2ccccc2C#N)CC1)[C@@H]1CCSC1	ZINC000155526652	545537687	/nfs/dbraw/zinc/53/76/87/545537687.db2.gz	CKEFWFMLOOCFFI-QGZVFWFLSA-N	1	1	358.511	2.034	20	30		FEEDMO
CC[N@@H+]1CCO[C@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	ZINC000504231991	538837032	/nfs/dbraw/zinc/83/70/32/538837032.db2.gz	BIBHXOKAXJTVRW-HNNXBMFYSA-N	1	1	359.817	2.057	20	30		FEEDMO
CC[N@H+]1CCO[C@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1	ZINC000504231991	538837040	/nfs/dbraw/zinc/83/70/40/538837040.db2.gz	BIBHXOKAXJTVRW-HNNXBMFYSA-N	1	1	359.817	2.057	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1cccc(C#Cc2ccccc2)c1	ZINC000477656976	561150541	/nfs/dbraw/zinc/15/05/41/561150541.db2.gz	BXNSRKYNANPRTE-NRFANRHFSA-N	1	1	362.477	2.454	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)[C@H](C)Oc3ccc(C#N)cc3)CC2)c1	ZINC000158666214	545881765	/nfs/dbraw/zinc/88/17/65/545881765.db2.gz	BCHRSIMRYUOFQO-INIZCTEOSA-N	1	1	350.422	2.378	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@@H](CCC#N)c2ccccc2)C[C@@H]1[NH+]1CCOCC1	ZINC000160716541	546065805	/nfs/dbraw/zinc/06/58/05/546065805.db2.gz	FVQJVDKPKLBWIW-NEWSRXKRSA-N	1	1	356.470	2.394	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](CCC(N)=O)C1	ZINC000170734056	546173852	/nfs/dbraw/zinc/17/38/52/546173852.db2.gz	DDGWHXSZJNMGQQ-ZEVUXNIQSA-N	1	1	362.518	2.283	20	30		FEEDMO
CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCCC(C)(C)CO)CC1=O	ZINC000172947094	546270795	/nfs/dbraw/zinc/27/07/95/546270795.db2.gz	ITRJUYIPWLOMFE-UHFFFAOYSA-N	1	1	356.470	2.445	20	30		FEEDMO
C=CCNC(=O)NC(=O)CN(CCC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000479688799	561194996	/nfs/dbraw/zinc/19/49/96/561194996.db2.gz	JIRUJQHDWIFWRA-IBGZPJMESA-N	1	1	372.513	2.375	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](CCC)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000479688799	561194997	/nfs/dbraw/zinc/19/49/97/561194997.db2.gz	JIRUJQHDWIFWRA-IBGZPJMESA-N	1	1	372.513	2.375	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](CCC)[C@H]1CCCN(Cc2ccccc2)C1	ZINC000479688799	561194998	/nfs/dbraw/zinc/19/49/98/561194998.db2.gz	JIRUJQHDWIFWRA-IBGZPJMESA-N	1	1	372.513	2.375	20	30		FEEDMO
CCOc1ccc(OCC[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1	ZINC000176365691	546436673	/nfs/dbraw/zinc/43/66/73/546436673.db2.gz	HAPLKGWPROUJSZ-INIZCTEOSA-N	1	1	367.453	2.336	20	30		FEEDMO
CCOc1ccc(OCC[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1	ZINC000176365691	546436675	/nfs/dbraw/zinc/43/66/75/546436675.db2.gz	HAPLKGWPROUJSZ-INIZCTEOSA-N	1	1	367.453	2.336	20	30		FEEDMO
C[N@H+](Cc1ccc([S@](C)=O)cc1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000178434569	546793554	/nfs/dbraw/zinc/79/35/54/546793554.db2.gz	LZTFOYCDPFYTQO-GKVSMKOHSA-N	1	1	358.463	2.167	20	30		FEEDMO
C[N@@H+](Cc1ccccc1CNC(=O)Cn1cnc(C#N)n1)C1CCCCC1	ZINC000178450418	546795472	/nfs/dbraw/zinc/79/54/72/546795472.db2.gz	UUHSKIBEZGOELW-UHFFFAOYSA-N	1	1	366.469	2.231	20	30		FEEDMO
C[NH+]1CCN([C@H]2CCCCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1	ZINC000179629863	546989097	/nfs/dbraw/zinc/98/90/97/546989097.db2.gz	CSHJMEYVCFZDAZ-XTXLJPNXSA-N	1	1	352.482	2.200	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c1C	ZINC000483294082	561273101	/nfs/dbraw/zinc/27/31/01/561273101.db2.gz	HPZFSINDODAYSV-MJGOQNOKSA-N	1	1	359.470	2.022	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c1C	ZINC000483294082	561273102	/nfs/dbraw/zinc/27/31/02/561273102.db2.gz	HPZFSINDODAYSV-MJGOQNOKSA-N	1	1	359.470	2.022	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1	ZINC000483369678	561275160	/nfs/dbraw/zinc/27/51/60/561275160.db2.gz	DWBWIURBXNSWTN-YFVAEKQCSA-N	1	1	361.482	2.425	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1	ZINC000182550102	547511775	/nfs/dbraw/zinc/51/17/75/547511775.db2.gz	ITMYLBBOOZRXMC-MRXNPFEDSA-N	1	1	359.470	2.270	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)CC1CCC1	ZINC000182777918	547551071	/nfs/dbraw/zinc/55/10/71/547551071.db2.gz	CWFCFCGPEQVZRH-LJQANCHMSA-N	1	1	358.461	2.266	20	30		FEEDMO
COC(=O)c1cn(C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)nn1	ZINC000183737591	547709697	/nfs/dbraw/zinc/70/96/97/547709697.db2.gz	QIEPVIAHFOHEMP-UHFFFAOYSA-N	1	1	358.829	2.407	20	30		FEEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184598677	547852149	/nfs/dbraw/zinc/85/21/49/547852149.db2.gz	GUTFYCKDSRVHAK-QGZVFWFLSA-N	1	1	367.457	2.477	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2OCCOC)C1	ZINC000184621968	547855462	/nfs/dbraw/zinc/85/54/62/547855462.db2.gz	ZMCZFVSRMVSQGL-MRXNPFEDSA-N	1	1	360.458	2.389	20	30		FEEDMO
C#CCC(C)(C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000185230841	547956370	/nfs/dbraw/zinc/95/63/70/547956370.db2.gz	XXQLPNDWPUQGOE-UHFFFAOYSA-N	1	1	371.481	2.013	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C	ZINC000186755539	548186687	/nfs/dbraw/zinc/18/66/87/548186687.db2.gz	JNPNYGUCAGUGQZ-CABCVRRESA-N	1	1	360.458	2.286	20	30		FEEDMO
C=C(C)[C@H]([NH2+][C@H](C)C(=O)N1CCN(C(C)=O)CC1)c1ccc(F)c(F)c1	ZINC000187781985	548264242	/nfs/dbraw/zinc/26/42/42/548264242.db2.gz	SMDFZPVCXCGHRW-ACJLOTCBSA-N	1	1	365.424	2.251	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CCC[N@H+](C3CC3)CC2)cc1	ZINC000194699814	548517369	/nfs/dbraw/zinc/51/73/69/548517369.db2.gz	NNAACDDBKVMYRO-UHFFFAOYSA-N	1	1	354.454	2.123	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)CC2)o1	ZINC000195051380	548568994	/nfs/dbraw/zinc/56/89/94/548568994.db2.gz	UAXWCKSWUSIKKR-OAHLLOKOSA-N	1	1	373.501	2.452	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C	ZINC000195321286	548622275	/nfs/dbraw/zinc/62/22/75/548622275.db2.gz	SEVKPIFBTJLVCV-GUTXKFCHSA-N	1	1	362.474	2.136	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C	ZINC000195321286	548622278	/nfs/dbraw/zinc/62/22/78/548622278.db2.gz	SEVKPIFBTJLVCV-GUTXKFCHSA-N	1	1	362.474	2.136	20	30		FEEDMO
N#Cc1ccccc1/C=C/C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1	ZINC000245570021	548948651	/nfs/dbraw/zinc/94/86/51/548948651.db2.gz	AEFLCALIIUISLQ-YGEFIYNQSA-N	1	1	361.445	2.323	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000246093919	549049838	/nfs/dbraw/zinc/04/98/38/549049838.db2.gz	KZCGMASPKXWZKH-GJZGRUSLSA-N	1	1	360.458	2.264	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000246093919	549049842	/nfs/dbraw/zinc/04/98/42/549049842.db2.gz	KZCGMASPKXWZKH-GJZGRUSLSA-N	1	1	360.458	2.264	20	30		FEEDMO
CC(C)n1cnnc1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000246148946	549063684	/nfs/dbraw/zinc/06/36/84/549063684.db2.gz	LXSGVRCYYFXZCG-ZWKOTPCHSA-N	1	1	369.469	2.350	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1	ZINC000246522773	549152110	/nfs/dbraw/zinc/15/21/10/549152110.db2.gz	IWOAARHBKFMFDJ-DSKINZAPSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1	ZINC000246522773	549152112	/nfs/dbraw/zinc/15/21/12/549152112.db2.gz	IWOAARHBKFMFDJ-DSKINZAPSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1	ZINC000246522773	549152116	/nfs/dbraw/zinc/15/21/16/549152116.db2.gz	IWOAARHBKFMFDJ-DSKINZAPSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000246522773	549152122	/nfs/dbraw/zinc/15/21/22/549152122.db2.gz	IWOAARHBKFMFDJ-DSKINZAPSA-N	1	1	355.482	2.247	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](CO)[C@H]2C)c1C#N	ZINC000488719742	561395250	/nfs/dbraw/zinc/39/52/50/561395250.db2.gz	OTAHGAKLWJQTLU-HZPDHXFCSA-N	1	1	370.453	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](CO)[C@H]2C)c1C#N	ZINC000488719742	561395251	/nfs/dbraw/zinc/39/52/51/561395251.db2.gz	OTAHGAKLWJQTLU-HZPDHXFCSA-N	1	1	370.453	2.259	20	30		FEEDMO
C=CCn1cccc1C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1	ZINC000488861031	561398218	/nfs/dbraw/zinc/39/82/18/561398218.db2.gz	UYMKBGIGIPZUFH-UHFFFAOYSA-N	1	1	372.513	2.081	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000248344745	549420359	/nfs/dbraw/zinc/42/03/59/549420359.db2.gz	LYVMEBZUABEZJV-ROUUACIJSA-N	1	1	370.497	2.137	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000248404666	549430602	/nfs/dbraw/zinc/43/06/02/549430602.db2.gz	AHYHYIMYJNKGMI-CHWSQXEVSA-N	1	1	357.380	2.299	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000248404666	549430604	/nfs/dbraw/zinc/43/06/04/549430604.db2.gz	AHYHYIMYJNKGMI-CHWSQXEVSA-N	1	1	357.380	2.299	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](C)C1	ZINC000248876997	549520127	/nfs/dbraw/zinc/52/01/27/549520127.db2.gz	OCMWGFHIVTVYNC-QWHCGFSZSA-N	1	1	362.861	2.387	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C	ZINC000249225196	549570816	/nfs/dbraw/zinc/57/08/16/549570816.db2.gz	UWCBGEOYWPGVHG-YOEHRIQHSA-N	1	1	372.469	2.084	20	30		FEEDMO
COCCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000249370433	549584461	/nfs/dbraw/zinc/58/44/61/549584461.db2.gz	NHGFJNKFSYGLLB-IUODEOHRSA-N	1	1	351.834	2.276	20	30		FEEDMO
COCCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000249370433	549584464	/nfs/dbraw/zinc/58/44/64/549584464.db2.gz	NHGFJNKFSYGLLB-IUODEOHRSA-N	1	1	351.834	2.276	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)C1=O	ZINC000489932192	561422601	/nfs/dbraw/zinc/42/26/01/561422601.db2.gz	IRBYAMDUUVVBGV-CHWSQXEVSA-N	1	1	356.392	2.405	20	30		FEEDMO
C[C@@H](c1cccc(NCC(=O)N[C@](C)(C#N)C2CC2)c1)[NH+]1CCOCC1	ZINC000264407833	549995494	/nfs/dbraw/zinc/99/54/94/549995494.db2.gz	YORPLJGQDJYBGM-MGPUTAFESA-N	1	1	356.470	2.300	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1	ZINC000264905911	550003444	/nfs/dbraw/zinc/00/34/44/550003444.db2.gz	CWLZVYHCBGHXQU-KRWDZBQOSA-N	1	1	370.497	2.231	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1	ZINC000266437252	550020677	/nfs/dbraw/zinc/02/06/77/550020677.db2.gz	OCPSXDDCHHXOFL-UHFFFAOYSA-N	1	1	374.485	2.316	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)OC	ZINC000268625030	550095715	/nfs/dbraw/zinc/09/57/15/550095715.db2.gz	JIXKCXIBIJVGJS-WBVHZDCISA-N	1	1	363.454	2.493	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1	ZINC000269103174	550154956	/nfs/dbraw/zinc/15/49/56/550154956.db2.gz	AKVBBIBNBCDSBW-CJNGLKHVSA-N	1	1	353.875	2.316	20	30		FEEDMO
CCOC(=O)Nc1ccc(NC(=O)CC[NH+]2CCN(CC)CC2)cc1C#N	ZINC000269820999	550227943	/nfs/dbraw/zinc/22/79/43/550227943.db2.gz	XPQKAICIPWONKP-UHFFFAOYSA-N	1	1	373.457	2.093	20	30		FEEDMO
N#CCc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1	ZINC000270281003	550258730	/nfs/dbraw/zinc/25/87/30/550258730.db2.gz	MLVQUNYJIMPGQX-IBGZPJMESA-N	1	1	362.433	2.455	20	30		FEEDMO
N#CCc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1	ZINC000270281003	550258732	/nfs/dbraw/zinc/25/87/32/550258732.db2.gz	MLVQUNYJIMPGQX-IBGZPJMESA-N	1	1	362.433	2.455	20	30		FEEDMO
COCC1(O)CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1	ZINC000270420458	550270934	/nfs/dbraw/zinc/27/09/34/550270934.db2.gz	ZTFXJJWHNWYQIY-QGZVFWFLSA-N	1	1	359.470	2.104	20	30		FEEDMO
C#CC[C@@H](NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1	ZINC000270438201	550272369	/nfs/dbraw/zinc/27/23/69/550272369.db2.gz	JJDFLZSIZHVQEJ-UXHICEINSA-N	1	1	356.514	2.322	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)Nc2ccc(C(=O)OCCCC)cc2)CC1	ZINC000271986688	550414978	/nfs/dbraw/zinc/41/49/78/550414978.db2.gz	CSIBYIDKIXCHCC-UHFFFAOYSA-N	1	1	371.481	2.223	20	30		FEEDMO
N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1	ZINC000272058667	550419530	/nfs/dbraw/zinc/41/95/30/550419530.db2.gz	BVHCRFBDCBZFNA-PMACEKPBSA-N	1	1	354.498	2.393	20	30		FEEDMO
CC1(C#N)CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1	ZINC000272394863	550443487	/nfs/dbraw/zinc/44/34/87/550443487.db2.gz	AGFMTEPNLFMJRX-QGZVFWFLSA-N	1	1	369.469	2.294	20	30		FEEDMO
CC1(C#N)CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1	ZINC000272394863	550443489	/nfs/dbraw/zinc/44/34/89/550443489.db2.gz	AGFMTEPNLFMJRX-QGZVFWFLSA-N	1	1	369.469	2.294	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000272442527	550448673	/nfs/dbraw/zinc/44/86/73/550448673.db2.gz	ANPWOIZSOWSHIS-WZYMTQMTSA-N	1	1	370.453	2.047	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CCSC)c1nnc2ccccn21	ZINC000274096550	550522925	/nfs/dbraw/zinc/52/29/25/550522925.db2.gz	ULJJEXOCPDWFSA-CABCVRRESA-N	1	1	374.514	2.121	20	30		FEEDMO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCC[N@H+](C(C)C)C1	ZINC000274555436	550543571	/nfs/dbraw/zinc/54/35/71/550543571.db2.gz	YIODCNYEFWHDSS-QGZVFWFLSA-N	1	1	368.485	2.139	20	30		FEEDMO
C=C(C)[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccc(F)c(F)c1	ZINC000274712171	550550434	/nfs/dbraw/zinc/55/04/34/550550434.db2.gz	AVDPAPVUSAPBSY-RHSMWYFYSA-N	1	1	352.429	2.127	20	30		FEEDMO
CC(C)[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nc(-c2nc[nH]n2)no1	ZINC000275206811	550570986	/nfs/dbraw/zinc/57/09/86/550570986.db2.gz	RJIUAUABRDSRMX-AWEZNQCLSA-N	1	1	353.386	2.244	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C	ZINC000276243921	550577620	/nfs/dbraw/zinc/57/76/20/550577620.db2.gz	OPYNXHFSKHAKFG-FHWLQOOXSA-N	1	1	351.535	2.302	20	30		FEEDMO
N#Cc1ncccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1	ZINC000276978746	550617745	/nfs/dbraw/zinc/61/77/45/550617745.db2.gz	GRLPVJZPUNGSKE-CQSZACIVSA-N	1	1	362.480	2.130	20	30		FEEDMO
C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@]1=O	ZINC000277035914	550624369	/nfs/dbraw/zinc/62/43/69/550624369.db2.gz	BLEGZJUZMYQVLJ-DAOPMYJZSA-N	1	1	353.875	2.383	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@]1=O	ZINC000277035914	550624370	/nfs/dbraw/zinc/62/43/70/550624370.db2.gz	BLEGZJUZMYQVLJ-DAOPMYJZSA-N	1	1	353.875	2.383	20	30		FEEDMO
CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000495193740	561483915	/nfs/dbraw/zinc/48/39/15/561483915.db2.gz	KOSWJVHFZDZQDI-MRXNPFEDSA-N	1	1	362.861	2.483	20	30		FEEDMO
CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000495193740	561483916	/nfs/dbraw/zinc/48/39/16/561483916.db2.gz	KOSWJVHFZDZQDI-MRXNPFEDSA-N	1	1	362.861	2.483	20	30		FEEDMO
COCC[N@@H+]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000279257862	550870605	/nfs/dbraw/zinc/87/06/05/550870605.db2.gz	QFTONTWNGMPKPT-UHFFFAOYSA-N	1	1	354.410	2.008	20	30		FEEDMO
COCC[N@H+]1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000279257862	550870606	/nfs/dbraw/zinc/87/06/06/550870606.db2.gz	QFTONTWNGMPKPT-UHFFFAOYSA-N	1	1	354.410	2.008	20	30		FEEDMO
COC[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](C)O1	ZINC000279362842	550881615	/nfs/dbraw/zinc/88/16/15/550881615.db2.gz	HRWNZAOSBYAXAP-MAUKXSAKSA-N	1	1	355.442	2.094	20	30		FEEDMO
COC[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H](C)O1	ZINC000279362842	550881616	/nfs/dbraw/zinc/88/16/16/550881616.db2.gz	HRWNZAOSBYAXAP-MAUKXSAKSA-N	1	1	355.442	2.094	20	30		FEEDMO
C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000279384892	550884228	/nfs/dbraw/zinc/88/42/28/550884228.db2.gz	JRURSHOBARNQSU-KRWDZBQOSA-N	1	1	368.485	2.011	20	30		FEEDMO
COCCO[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000279482072	550894980	/nfs/dbraw/zinc/89/49/80/550894980.db2.gz	WWHMJTHHXGFKHC-GOSISDBHSA-N	1	1	355.442	2.096	20	30		FEEDMO
N#Cc1cccc(-c2cc(C(=O)N3CC[NH+](C4CCOCC4)CC3)on2)c1	ZINC000279577040	550904849	/nfs/dbraw/zinc/90/48/49/550904849.db2.gz	WJMKSGNWMINBQD-UHFFFAOYSA-N	1	1	366.421	2.150	20	30		FEEDMO
CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000279810485	550931628	/nfs/dbraw/zinc/93/16/28/550931628.db2.gz	XNCIWQFIGQJFLO-UHFFFAOYSA-N	1	1	355.442	2.151	20	30		FEEDMO
CN(CC[N@H+]1CCOC(C)(C)C1)Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000279810485	550931629	/nfs/dbraw/zinc/93/16/29/550931629.db2.gz	XNCIWQFIGQJFLO-UHFFFAOYSA-N	1	1	355.442	2.151	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1	ZINC000280045016	550955770	/nfs/dbraw/zinc/95/57/70/550955770.db2.gz	LTFSBDBKLDCHCK-SFHVURJKSA-N	1	1	357.454	2.346	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1	ZINC000280045016	550955772	/nfs/dbraw/zinc/95/57/72/550955772.db2.gz	LTFSBDBKLDCHCK-SFHVURJKSA-N	1	1	357.454	2.346	20	30		FEEDMO
N#Cc1ccc(OC2CCC(NC(=O)NCC[N@@H+]3CC=CCC3)CC2)nc1	ZINC000280072882	550958455	/nfs/dbraw/zinc/95/84/55/550958455.db2.gz	ZGBKALVLRODTDN-UHFFFAOYSA-N	1	1	369.469	2.204	20	30		FEEDMO
CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1	ZINC000280210473	550971797	/nfs/dbraw/zinc/97/17/97/550971797.db2.gz	IDWMQVOTGUKTDZ-UHFFFAOYSA-N	1	1	370.497	2.208	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1	ZINC000280889497	551042673	/nfs/dbraw/zinc/04/26/73/551042673.db2.gz	FGHVRNRASWRGAE-SFHVURJKSA-N	1	1	354.454	2.410	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1=O	ZINC000281195596	551072756	/nfs/dbraw/zinc/07/27/56/551072756.db2.gz	CDIQMEVWKUJMNT-JLSDUUJJSA-N	1	1	366.889	2.497	20	30		FEEDMO
COc1cc(C[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)ccc1C#N	ZINC000281623163	551121756	/nfs/dbraw/zinc/12/17/56/551121756.db2.gz	HPDYJAQZPTURSR-UHFFFAOYSA-N	1	1	351.454	2.003	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000497366620	561499383	/nfs/dbraw/zinc/49/93/83/561499383.db2.gz	MEAZCIIFKWRRKN-GOSISDBHSA-N	1	1	370.497	2.049	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000497366620	561499384	/nfs/dbraw/zinc/49/93/84/561499384.db2.gz	MEAZCIIFKWRRKN-GOSISDBHSA-N	1	1	370.497	2.049	20	30		FEEDMO
C=CCN1CC[C@@H]([NH+]2CCC(Oc3c(OC)cccc3OC)CC2)C1=O	ZINC000282070539	551176794	/nfs/dbraw/zinc/17/67/94/551176794.db2.gz	SWVCFUNQYKVNQR-MRXNPFEDSA-N	1	1	360.454	2.334	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000497371602	561499632	/nfs/dbraw/zinc/49/96/32/561499632.db2.gz	QHAQHILSADHYMV-QFBILLFUSA-N	1	1	370.497	2.191	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1	ZINC000282444261	551229896	/nfs/dbraw/zinc/22/98/96/551229896.db2.gz	JTARKQBTYLPEHP-RXVVDRJESA-N	1	1	366.465	2.234	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1	ZINC000282541690	551244012	/nfs/dbraw/zinc/24/40/12/551244012.db2.gz	RBWTYVNRWVHIIG-HKUYNNGSSA-N	1	1	366.465	2.187	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(C#N)c(Cl)n2)C[C@@H](C)O1	ZINC000283129573	551316527	/nfs/dbraw/zinc/31/65/27/551316527.db2.gz	TXSRHXGITAYSNE-VXGBXAGGSA-N	1	1	350.850	2.224	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000283913405	551448819	/nfs/dbraw/zinc/44/88/19/551448819.db2.gz	IQINYNMNPYDAKH-FUHWJXTLSA-N	1	1	370.497	2.220	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1	ZINC000284576283	551581005	/nfs/dbraw/zinc/58/10/05/551581005.db2.gz	KNWHGCNJICRXFX-VXGBXAGGSA-N	1	1	370.375	2.496	20	30		FEEDMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C)C1	ZINC000284769189	551628633	/nfs/dbraw/zinc/62/86/33/551628633.db2.gz	GZRQURBJJRFGJK-VXGBXAGGSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C)C1	ZINC000284769189	551628635	/nfs/dbraw/zinc/62/86/35/551628635.db2.gz	GZRQURBJJRFGJK-VXGBXAGGSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)[C@H]2C1	ZINC000285734636	551802951	/nfs/dbraw/zinc/80/29/51/551802951.db2.gz	GRMBDRRHMPWPJR-UZLBHIALSA-N	1	1	370.472	2.466	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000285849205	551818831	/nfs/dbraw/zinc/81/88/31/551818831.db2.gz	AARQHUWJYRVGCQ-INIZCTEOSA-N	1	1	355.417	2.235	20	30		FEEDMO
C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000286057076	551843948	/nfs/dbraw/zinc/84/39/48/551843948.db2.gz	RIWXPJDKRUTFKT-UZLBHIALSA-N	1	1	365.481	2.254	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C	ZINC000286057456	551844028	/nfs/dbraw/zinc/84/40/28/551844028.db2.gz	RULNPRXKLBCDJW-INIZCTEOSA-N	1	1	358.486	2.142	20	30		FEEDMO
N#CCCCCNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000286142766	551853732	/nfs/dbraw/zinc/85/37/32/551853732.db2.gz	ANARKEURJPOHNA-YQQQUEKLSA-N	1	1	368.481	2.108	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)c1C#N	ZINC000286439999	551885382	/nfs/dbraw/zinc/88/53/82/551885382.db2.gz	JGICYOKIUXQJDZ-QZTJIDSGSA-N	1	1	370.453	2.402	20	30		FEEDMO
COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000286525444	551896134	/nfs/dbraw/zinc/89/61/34/551896134.db2.gz	NKIFGIIPMWLOKV-MRXNPFEDSA-N	1	1	369.343	2.314	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000286844526	551932710	/nfs/dbraw/zinc/93/27/10/551932710.db2.gz	KPAJVGKCZPTHOM-LSDHHAIUSA-N	1	1	351.472	2.426	20	30		FEEDMO
C[C@@H](CC#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000286895407	551937628	/nfs/dbraw/zinc/93/76/28/551937628.db2.gz	YUHQNXVDBXMEML-IPELMVKDSA-N	1	1	351.454	2.054	20	30		FEEDMO
C[N@@H+](CCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)C1CC1	ZINC000287039740	551954923	/nfs/dbraw/zinc/95/49/23/551954923.db2.gz	MFZHDTOHVNPUQA-UHFFFAOYSA-N	1	1	360.433	2.344	20	30		FEEDMO
CCOC1CC([N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000287082788	551961427	/nfs/dbraw/zinc/96/14/27/551961427.db2.gz	WOJUGMSYRJIXBV-UHFFFAOYSA-N	1	1	353.426	2.182	20	30		FEEDMO
CCOC1CC([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000287082788	551961428	/nfs/dbraw/zinc/96/14/28/551961428.db2.gz	WOJUGMSYRJIXBV-UHFFFAOYSA-N	1	1	353.426	2.182	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)cc1	ZINC000287217902	551977524	/nfs/dbraw/zinc/97/75/24/551977524.db2.gz	VUNMAHLWUWMXTK-GOSISDBHSA-N	1	1	374.529	2.324	20	30		FEEDMO
N#CCCCCNC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000287249745	551981336	/nfs/dbraw/zinc/98/13/36/551981336.db2.gz	HHSNZIIUQUEIKV-HXUWFJFHSA-N	1	1	369.513	2.282	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000287269609	551983361	/nfs/dbraw/zinc/98/33/61/551983361.db2.gz	ICRMRKLMALWCRS-UHFFFAOYSA-N	1	1	372.288	2.035	20	30		FEEDMO
CC[C@](C)(C#N)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000287367071	551994974	/nfs/dbraw/zinc/99/49/74/551994974.db2.gz	NYWSTAOEMTYFNO-TZIWHRDSSA-N	1	1	354.498	2.345	20	30		FEEDMO
C#CCC(C)(C)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000287401226	551999299	/nfs/dbraw/zinc/99/92/99/551999299.db2.gz	PLCBNVCPRWSIFY-HXUWFJFHSA-N	1	1	353.510	2.455	20	30		FEEDMO
C=CCN1CC[C@@H]([NH2+][C@H](CCO)c2ccccc2Br)C1=O	ZINC000499624233	561554969	/nfs/dbraw/zinc/55/49/69/561554969.db2.gz	ISODAPUSLAGZFN-HUUCEWRRSA-N	1	1	353.260	2.249	20	30		FEEDMO
Cc1onc(CC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N	ZINC000499873533	561560241	/nfs/dbraw/zinc/56/02/41/561560241.db2.gz	MOZDIORGLNRLDT-QGZVFWFLSA-N	1	1	352.438	2.378	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](CO)c2cccc(Cl)c2F)cc1	ZINC000499935962	561562350	/nfs/dbraw/zinc/56/23/50/561562350.db2.gz	CEMUNBTVUQGCFT-GUYCJALGSA-N	1	1	364.804	2.414	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)CCOc2ccc(C(=O)OC)cc2Cl)C1=O	ZINC000500020036	561564096	/nfs/dbraw/zinc/56/40/96/561564096.db2.gz	PGVKWDIAMWYKTM-HNNXBMFYSA-N	1	1	366.845	2.224	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)CCOc2ccc(C(=O)OC)cc2Cl)C1=O	ZINC000500020036	561564097	/nfs/dbraw/zinc/56/40/97/561564097.db2.gz	PGVKWDIAMWYKTM-HNNXBMFYSA-N	1	1	366.845	2.224	20	30		FEEDMO
Cc1onc(CC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N	ZINC000500075731	561565458	/nfs/dbraw/zinc/56/54/58/561565458.db2.gz	NVPBYRBLKPMPLI-RHSMWYFYSA-N	1	1	352.438	2.424	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000289141488	552272360	/nfs/dbraw/zinc/27/23/60/552272360.db2.gz	KCRDNKDTHSDNBR-PKOBYXMFSA-N	1	1	359.495	2.337	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1	ZINC000289201724	552282045	/nfs/dbraw/zinc/28/20/45/552282045.db2.gz	BLUNMMNOESJRSO-JXFKEZNVSA-N	1	1	355.438	2.041	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000289411486	552316854	/nfs/dbraw/zinc/31/68/54/552316854.db2.gz	GZPWQVIDTAAUGJ-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1cncc(C#N)c1	ZINC000289411486	552316855	/nfs/dbraw/zinc/31/68/55/552316855.db2.gz	GZPWQVIDTAAUGJ-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@H](NS(=O)(=O)c1cncc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289462182	552325381	/nfs/dbraw/zinc/32/53/81/552325381.db2.gz	MDDMAVSRTSLTHZ-MAUKXSAKSA-N	1	1	370.478	2.142	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000289547606	552338769	/nfs/dbraw/zinc/33/87/69/552338769.db2.gz	BYYMCEGEMNNGNV-ZIAGYGMSSA-N	1	1	366.487	2.223	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000289629927	552352499	/nfs/dbraw/zinc/35/24/99/552352499.db2.gz	ZPRUDNQACSOQOD-DNVCBOLYSA-N	1	1	370.478	2.142	20	30		FEEDMO
Cc1csc([C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)n1	ZINC000289938839	552402724	/nfs/dbraw/zinc/40/27/24/552402724.db2.gz	OQHJAYFYZMSIRZ-HNNXBMFYSA-N	1	1	362.480	2.233	20	30		FEEDMO
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000290773981	552535982	/nfs/dbraw/zinc/53/59/82/552535982.db2.gz	BWNNKUZBMPJWQA-CQSZACIVSA-N	1	1	361.490	2.308	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1Cl	ZINC000291885683	552671665	/nfs/dbraw/zinc/67/16/65/552671665.db2.gz	QLSVFCPYAWGIQL-GFCCVEGCSA-N	1	1	357.788	2.490	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC[N@H+](C2CCC2)C1	ZINC000292074606	552690963	/nfs/dbraw/zinc/69/09/63/552690963.db2.gz	QGCKXKMCKMVXMS-ZDUSSCGKSA-N	1	1	351.447	2.192	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)nc1	ZINC000292178626	552701840	/nfs/dbraw/zinc/70/18/40/552701840.db2.gz	MHMUDOMNORZUOF-DLBZAZTESA-N	1	1	354.366	2.048	20	30		FEEDMO
Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292330520	552716554	/nfs/dbraw/zinc/71/65/54/552716554.db2.gz	WGYUYWAFNFTJJG-SFHVURJKSA-N	1	1	350.422	2.031	20	30		FEEDMO
Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292330520	552716555	/nfs/dbraw/zinc/71/65/55/552716555.db2.gz	WGYUYWAFNFTJJG-SFHVURJKSA-N	1	1	350.422	2.031	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl	ZINC000292684414	552749392	/nfs/dbraw/zinc/74/93/92/552749392.db2.gz	ACUGGOOQRZXRAR-UHFFFAOYSA-N	1	1	356.253	2.393	20	30		FEEDMO
C#CCNC(=O)CC[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl	ZINC000292684414	552749393	/nfs/dbraw/zinc/74/93/93/552749393.db2.gz	ACUGGOOQRZXRAR-UHFFFAOYSA-N	1	1	356.253	2.393	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@@H+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1	ZINC000292693485	552750039	/nfs/dbraw/zinc/75/00/39/552750039.db2.gz	CSGSXIUOEMWRQW-HZPDHXFCSA-N	1	1	363.483	2.084	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@H+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1	ZINC000292693485	552750040	/nfs/dbraw/zinc/75/00/40/552750040.db2.gz	CSGSXIUOEMWRQW-HZPDHXFCSA-N	1	1	363.483	2.084	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc2c1OCO2	ZINC000292746172	552754679	/nfs/dbraw/zinc/75/46/79/552754679.db2.gz	HZGOLBQVVGNAFD-OAHLLOKOSA-N	1	1	353.378	2.344	20	30		FEEDMO
C=C[C@H](CO)NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000292932996	552772268	/nfs/dbraw/zinc/77/22/68/552772268.db2.gz	KLXZNUUOXZKUOP-WOSRLPQWSA-N	1	1	355.841	2.318	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2ccccc2)c(C)n1	ZINC000293294438	552808469	/nfs/dbraw/zinc/80/84/69/552808469.db2.gz	HAQRPSGSBJNWAN-UHFFFAOYSA-N	1	1	364.449	2.067	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+](C2CCC2)C1	ZINC000293434508	552823104	/nfs/dbraw/zinc/82/31/04/552823104.db2.gz	NZKKKTFWYVIVHO-ZDUSSCGKSA-N	1	1	374.872	2.483	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cccnc1SCc1cc(C)on1	ZINC000293887485	552865225	/nfs/dbraw/zinc/86/52/25/552865225.db2.gz	DCJIBJIZZSCWGH-UHFFFAOYSA-N	1	1	358.467	2.355	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)CCCOc1ccc(C(C)=O)cc1OC	ZINC000294017835	552875763	/nfs/dbraw/zinc/87/57/63/552875763.db2.gz	QFZZMFSVUJDHKM-UHFFFAOYSA-N	1	1	360.454	2.128	20	30		FEEDMO
N#Cc1cc(Br)ccc1C(=O)NCC[NH+]1CCSCC1	ZINC000294962486	552947524	/nfs/dbraw/zinc/94/75/24/552947524.db2.gz	PHCJUOJUSVOEGY-UHFFFAOYSA-N	1	1	354.273	2.099	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)C1CC1	ZINC000295881689	553071556	/nfs/dbraw/zinc/07/15/56/553071556.db2.gz	ATYPVVNLFGECEG-UHFFFAOYSA-N	1	1	362.499	2.456	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1	ZINC000296541955	553177047	/nfs/dbraw/zinc/17/70/47/553177047.db2.gz	QGWJWVAEWYAISA-CYBMUJFWSA-N	1	1	359.405	2.191	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)cc1	ZINC000296667803	553195624	/nfs/dbraw/zinc/19/56/24/553195624.db2.gz	KNMIPOCFDDHIPV-IBGZPJMESA-N	1	1	365.433	2.061	20	30		FEEDMO
Cc1cc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cn2cc[nH+]c12	ZINC000297104943	553253805	/nfs/dbraw/zinc/25/38/05/553253805.db2.gz	WRMKQEYHXADOEH-UHFFFAOYSA-N	1	1	361.409	2.264	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](CCC)[C@H](C)CC(=O)Nc1ccccc1	ZINC000502939783	561630619	/nfs/dbraw/zinc/63/06/19/561630619.db2.gz	MYYANRLXKOPDIL-OAHLLOKOSA-N	1	1	360.458	2.128	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000298313083	553411387	/nfs/dbraw/zinc/41/13/87/553411387.db2.gz	PACSMSYCWPAUEM-IBGZPJMESA-N	1	1	357.498	2.392	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)cc1	ZINC000298737026	553466426	/nfs/dbraw/zinc/46/64/26/553466426.db2.gz	IQFKQZWZEPOYHX-UHFFFAOYSA-N	1	1	373.460	2.258	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)cc1	ZINC000298737026	553466427	/nfs/dbraw/zinc/46/64/27/553466427.db2.gz	IQFKQZWZEPOYHX-UHFFFAOYSA-N	1	1	373.460	2.258	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@H](C)C1	ZINC000503898818	561649642	/nfs/dbraw/zinc/64/96/42/561649642.db2.gz	BWUITSJPXGMWAL-IAGOWNOFSA-N	1	1	350.507	2.459	20	30		FEEDMO
C[N@@H+](CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)Cc1ccccc1	ZINC000504095141	561653099	/nfs/dbraw/zinc/65/30/99/561653099.db2.gz	PJSHAJNAJGPONN-FQEVSTJZSA-N	1	1	359.470	2.496	20	30		FEEDMO
CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000299468706	553567493	/nfs/dbraw/zinc/56/74/93/553567493.db2.gz	MZXHVFNNRAVOSB-CQSZACIVSA-N	1	1	362.861	2.388	20	30		FEEDMO
CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000299468706	553567495	/nfs/dbraw/zinc/56/74/95/553567495.db2.gz	MZXHVFNNRAVOSB-CQSZACIVSA-N	1	1	362.861	2.388	20	30		FEEDMO
CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000504428407	561658146	/nfs/dbraw/zinc/65/81/46/561658146.db2.gz	YKDKHEWHKKTQQK-GOSISDBHSA-N	1	1	371.485	2.085	20	30		FEEDMO
C[N@@H+](CCCNS(=O)(=O)c1ccc(F)c(C#N)c1)Cc1ccccc1	ZINC000301308193	553641396	/nfs/dbraw/zinc/64/13/96/553641396.db2.gz	PTVRCLHVVMFUMF-UHFFFAOYSA-N	1	1	361.442	2.498	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(c2ccc3cc(C#N)ccc3n2)CC1	ZINC000301834169	553683842	/nfs/dbraw/zinc/68/38/42/553683842.db2.gz	VNCXJJFZFFBHKN-UHFFFAOYSA-N	1	1	365.481	2.487	20	30		FEEDMO
C[C@H]1CN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC[N@H+]1CCO	ZINC000302474340	553717835	/nfs/dbraw/zinc/71/78/35/553717835.db2.gz	WMCUVCTZDGXBNN-LBPRGKRZSA-N	1	1	362.380	2.211	20	30		FEEDMO
C[C@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1CC(C)(C)O	ZINC000302467575	553718077	/nfs/dbraw/zinc/71/80/77/553718077.db2.gz	BWMMZUQOWDFALS-ZDUSSCGKSA-N	1	1	369.425	2.296	20	30		FEEDMO
C[NH+]1CCN(C(=O)CCNC(=O)N2CC3(CCC3)c3c2cccc3F)CC1	ZINC000328711196	553810784	/nfs/dbraw/zinc/81/07/84/553810784.db2.gz	BBUJUJBWSYCYOU-UHFFFAOYSA-N	1	1	374.460	2.146	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O	ZINC000328722767	553812601	/nfs/dbraw/zinc/81/26/01/553812601.db2.gz	XSQRHFWTOZVDIW-OWSLCNJRSA-N	1	1	367.534	2.178	20	30		FEEDMO
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[NH+]2CCC1CC2)C1CCCCC1	ZINC000328755094	553817192	/nfs/dbraw/zinc/81/71/92/553817192.db2.gz	FCFNLUVXXHPKGW-SFHVURJKSA-N	1	1	373.501	2.164	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000328835520	553829886	/nfs/dbraw/zinc/82/98/86/553829886.db2.gz	MJLPOXRJPOJMKI-RXCRORICSA-N	1	1	360.502	2.002	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000328835520	553829888	/nfs/dbraw/zinc/82/98/88/553829888.db2.gz	MJLPOXRJPOJMKI-RXCRORICSA-N	1	1	360.502	2.002	20	30		FEEDMO
O=C(NC1CCCCC1)NC1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1	ZINC000328865330	553835591	/nfs/dbraw/zinc/83/55/91/553835591.db2.gz	BQIQTEAFUUXBID-HNNXBMFYSA-N	1	1	371.547	2.112	20	30		FEEDMO
N#C[C@@H]1CC[C@@H]([NH+]2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)C1	ZINC000328873203	553836416	/nfs/dbraw/zinc/83/64/16/553836416.db2.gz	YUDPSIPBEGKCQV-NJYVYQBISA-N	1	1	366.509	2.487	20	30		FEEDMO
C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000328938657	553849339	/nfs/dbraw/zinc/84/93/39/553849339.db2.gz	DMLMJBNKJDSMDJ-HLIPFELVSA-N	1	1	368.437	2.360	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1	ZINC000506008907	561687161	/nfs/dbraw/zinc/68/71/61/561687161.db2.gz	FLEWYRXKDWFZRD-GOSISDBHSA-N	1	1	361.461	2.448	20	30		FEEDMO
CO[C@H]1C[C@@H](CN(C)CC(=O)Nc2ccc3c(c2)OCCCO3)[N@@H+](C)C1	ZINC000329053116	553872143	/nfs/dbraw/zinc/87/21/43/553872143.db2.gz	XAQQAMTUEZHYEF-HOTGVXAUSA-N	1	1	363.458	2.087	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)C1	ZINC000329094989	553879600	/nfs/dbraw/zinc/87/96/00/553879600.db2.gz	XSQIHNAQZDWIEE-HCXYKTFWSA-N	1	1	367.534	2.130	20	30		FEEDMO
CNC(=O)[C@H]1C[N@@H+](Cc2csc(N(C)C3CC3)n2)C[C@@H]1c1cnn(C)c1	ZINC000329133922	553886521	/nfs/dbraw/zinc/88/65/21/553886521.db2.gz	PWPSKHGIXKERBT-CVEARBPZSA-N	1	1	374.514	2.277	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)C1	ZINC000329155820	553890920	/nfs/dbraw/zinc/89/09/20/553890920.db2.gz	VKPJYNKFGLIVAC-HOTGVXAUSA-N	1	1	350.507	2.108	20	30		FEEDMO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000329157121	553891611	/nfs/dbraw/zinc/89/16/11/553891611.db2.gz	CGYAAIMJJYFLME-XSYGEPLQSA-N	1	1	365.518	2.169	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CNC(=O)c2ccccn2)CC1	ZINC000329198427	553900511	/nfs/dbraw/zinc/90/05/11/553900511.db2.gz	WOTDMOVTBPVOGL-SFHVURJKSA-N	1	1	358.486	2.499	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)nc1	ZINC000329214020	553903681	/nfs/dbraw/zinc/90/36/81/553903681.db2.gz	KLJDNWSHURHBOJ-LJQANCHMSA-N	1	1	367.497	2.399	20	30		FEEDMO
C[C@H](NC(=O)N1CC[S@](=O)[C@H](C)[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000329280831	553916637	/nfs/dbraw/zinc/91/66/37/553916637.db2.gz	DUFHNDMOGAGOPZ-LBTFIDRMSA-N	1	1	355.548	2.395	20	30		FEEDMO
Cc1nnc2n1C[C@H](CNC([O-])=[NH+][C@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)CC2	ZINC000329299801	553920545	/nfs/dbraw/zinc/92/05/45/553920545.db2.gz	MDBHZADOLNOCMG-PVAVHDDUSA-N	1	1	374.533	2.306	20	30		FEEDMO
Cc1nnc2n1C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)CC2	ZINC000329299801	553920548	/nfs/dbraw/zinc/92/05/48/553920548.db2.gz	MDBHZADOLNOCMG-PVAVHDDUSA-N	1	1	374.533	2.306	20	30		FEEDMO
Cc1nnc2n1C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)CC2	ZINC000329299801	553920549	/nfs/dbraw/zinc/92/05/49/553920549.db2.gz	MDBHZADOLNOCMG-PVAVHDDUSA-N	1	1	374.533	2.306	20	30		FEEDMO
Cc1nnc2n1C[C@H](C[NH+]=C([O-])N[C@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)CC2	ZINC000329299801	553920552	/nfs/dbraw/zinc/92/05/52/553920552.db2.gz	MDBHZADOLNOCMG-PVAVHDDUSA-N	1	1	374.533	2.306	20	30		FEEDMO
Cc1nnc2n1C[C@H](C[NH+]=C([O-])N[C@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)CC2	ZINC000329299801	553920555	/nfs/dbraw/zinc/92/05/55/553920555.db2.gz	MDBHZADOLNOCMG-PVAVHDDUSA-N	1	1	374.533	2.306	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN(c3nccs3)CC2)C1	ZINC000329311557	553923016	/nfs/dbraw/zinc/92/30/16/553923016.db2.gz	RESIOZAHHSMMLQ-CQSZACIVSA-N	1	1	351.520	2.347	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1	ZINC000329311921	553923260	/nfs/dbraw/zinc/92/32/60/553923260.db2.gz	ZXPQWLGASGIESA-XHSDSOJGSA-N	1	1	373.563	2.071	20	30		FEEDMO
CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	ZINC000329402243	553939614	/nfs/dbraw/zinc/93/96/14/553939614.db2.gz	ZGOHOOINZLCCJS-NSHDSACASA-N	1	1	361.412	2.207	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	ZINC000329402243	553939618	/nfs/dbraw/zinc/93/96/18/553939618.db2.gz	ZGOHOOINZLCCJS-NSHDSACASA-N	1	1	361.412	2.207	20	30		FEEDMO
Cc1cc(N2CCC[C@H](NC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)C2)n(C)n1	ZINC000329480381	553954589	/nfs/dbraw/zinc/95/45/89/553954589.db2.gz	CXMXKWPPIRPUCU-XNHLSEOASA-N	1	1	374.533	2.168	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4nc(C(C)(C)C)cn4C3)[C@H]2C1	ZINC000329537684	553963801	/nfs/dbraw/zinc/96/38/01/553963801.db2.gz	MGPJJVRQCDUNDX-OAGGEKHMSA-N	1	1	359.518	2.435	20	30		FEEDMO
C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C[C@H](C)S1(=O)=O	ZINC000329625532	553978941	/nfs/dbraw/zinc/97/89/41/553978941.db2.gz	SUWZGTWWXMAWJR-UXLLHSPISA-N	1	1	371.547	2.205	20	30		FEEDMO
C[C@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000329667920	553985437	/nfs/dbraw/zinc/98/54/37/553985437.db2.gz	RTTYVHLRRZXALM-ZFWWWQNUSA-N	1	1	374.441	2.476	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC[N@H+]1C[C@@H](C)O	ZINC000329695823	553990722	/nfs/dbraw/zinc/99/07/22/553990722.db2.gz	DGFRNXUVBISMKG-KCYZZUKISA-N	1	1	368.522	2.211	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC[N@H+]1C	ZINC000329721290	553995273	/nfs/dbraw/zinc/99/52/73/553995273.db2.gz	NBFJWYFOFNIFKA-HIFRSBDPSA-N	1	1	368.437	2.063	20	30		FEEDMO
C[C@H](NC(=O)N1CCC[C@H](S(C)(=O)=O)C1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000329752302	554000089	/nfs/dbraw/zinc/00/00/89/554000089.db2.gz	WEPCUBGGRTXPGW-UXLLHSPISA-N	1	1	371.547	2.062	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)[C@@H]1c1ccccc1	ZINC000329761661	554001145	/nfs/dbraw/zinc/00/11/45/554001145.db2.gz	RSFXGCKGPGOHSH-KNJMJIDISA-N	1	1	373.497	2.208	20	30		FEEDMO
C[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000329777209	554003894	/nfs/dbraw/zinc/00/38/94/554003894.db2.gz	OUWRUXOCFSNJBU-HZPDHXFCSA-N	1	1	358.486	2.361	20	30		FEEDMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1OC[C@@H]2COCC[C@@H]12	ZINC000329776702	554004223	/nfs/dbraw/zinc/00/42/23/554004223.db2.gz	KDBFPKDOYAJWBE-GVDBMIGSSA-N	1	1	352.475	2.030	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1	ZINC000329803896	554008348	/nfs/dbraw/zinc/00/83/48/554008348.db2.gz	JYSCJQLVGYYQTE-CHWSQXEVSA-N	1	1	373.457	2.296	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCO[C@]3(CCOC3)C2)C1	ZINC000329865354	554021568	/nfs/dbraw/zinc/02/15/68/554021568.db2.gz	AEVLXJISLQDNDN-IMFGXOCKSA-N	1	1	359.470	2.227	20	30		FEEDMO
[O-]C(=[NH+]C[C@@H]1CCc2[nH+]ccn2C1)N1CCO[C@@H](c2cccc(O)c2)C1	ZINC000329889983	554025176	/nfs/dbraw/zinc/02/51/76/554025176.db2.gz	FKQQPXGWJPWPQJ-WMLDXEAASA-N	1	1	356.426	2.139	20	30		FEEDMO
O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCO[C@@H](c2cccc(O)c2)C1	ZINC000329889983	554025179	/nfs/dbraw/zinc/02/51/79/554025179.db2.gz	FKQQPXGWJPWPQJ-WMLDXEAASA-N	1	1	356.426	2.139	20	30		FEEDMO
CC(=O)N[C@H](CC1CCC1)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1	ZINC000329894601	554026566	/nfs/dbraw/zinc/02/65/66/554026566.db2.gz	KAMVDBHBQRNTEL-KBXCAEBGSA-N	1	1	351.491	2.233	20	30		FEEDMO
C[C@]1(C(N)=O)CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	ZINC000329938616	554035581	/nfs/dbraw/zinc/03/55/81/554035581.db2.gz	SPTWOANRMIXUMP-KRWDZBQOSA-N	1	1	352.479	2.183	20	30		FEEDMO
C[C@@H](NC(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000329947562	554036561	/nfs/dbraw/zinc/03/65/61/554036561.db2.gz	HBTNFDNVMFLGCQ-VIPLHTEESA-N	1	1	365.518	2.433	20	30		FEEDMO
CC(C)[C@H](C)NC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000507361920	561726385	/nfs/dbraw/zinc/72/63/85/561726385.db2.gz	SHSCUTNFPUDMPN-FTRWYGJKSA-N	1	1	364.534	2.302	20	30		FEEDMO
C[NH+]1CCN(CCC(C)(C)NC(=O)CN2Cc3ccccc3C2=O)CC1	ZINC000329990047	554045109	/nfs/dbraw/zinc/04/51/09/554045109.db2.gz	IQZZMQZCQLSWLG-UHFFFAOYSA-N	1	1	358.486	2.015	20	30		FEEDMO
CO[C@@H]1CC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)C1	ZINC000329991249	554045876	/nfs/dbraw/zinc/04/58/76/554045876.db2.gz	WUKGOLACPFZRCQ-DZJNRPSUSA-N	1	1	363.506	2.216	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC[C@H](NC(=O)C(C)C)C1	ZINC000329997288	554046716	/nfs/dbraw/zinc/04/67/16/554046716.db2.gz	QGMUMQRXZSOQLU-HNNXBMFYSA-N	1	1	372.473	2.440	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	ZINC000330017686	554050336	/nfs/dbraw/zinc/05/03/36/554050336.db2.gz	RNXYFVOORFSOTQ-NUEKZKHPSA-N	1	1	355.442	2.485	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21	ZINC000330081352	554061246	/nfs/dbraw/zinc/06/12/46/554061246.db2.gz	PNOWTDMRDRZPKB-GDBMZVCRSA-N	1	1	364.465	2.177	20	30		FEEDMO
CS(=O)(=O)N1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1	ZINC000330142156	554072986	/nfs/dbraw/zinc/07/29/86/554072986.db2.gz	JVIVWVQBQGTYEM-GJZGRUSLSA-N	1	1	357.520	2.022	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000330162082	554076194	/nfs/dbraw/zinc/07/61/94/554076194.db2.gz	ACTAKZMALCVQFU-WBVHZDCISA-N	1	1	362.474	2.162	20	30		FEEDMO
C[C@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)S(=O)(=O)C1CCOCC1	ZINC000330163890	554076781	/nfs/dbraw/zinc/07/67/81/554076781.db2.gz	SVEJBYXCNCWMTD-XUWVNRHRSA-N	1	1	374.547	2.292	20	30		FEEDMO
C[C@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)S(=O)(=O)C1CCOCC1	ZINC000330163890	554076782	/nfs/dbraw/zinc/07/67/82/554076782.db2.gz	SVEJBYXCNCWMTD-XUWVNRHRSA-N	1	1	374.547	2.292	20	30		FEEDMO
CC(C)N(C)c1cnn([C@H]2CCC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)c(=O)c1	ZINC000330176526	554078904	/nfs/dbraw/zinc/07/89/04/554078904.db2.gz	KAAOAYHQWXGTTI-ZBFHGGJFSA-N	1	1	361.490	2.232	20	30		FEEDMO
CC(C)N(C)c1cnn([C@H]2CCC[N@H+]([C@H](C)C(=O)NC3CC3)C2)c(=O)c1	ZINC000330176526	554078906	/nfs/dbraw/zinc/07/89/06/554078906.db2.gz	KAAOAYHQWXGTTI-ZBFHGGJFSA-N	1	1	361.490	2.232	20	30		FEEDMO
C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1	ZINC000330182582	554080194	/nfs/dbraw/zinc/08/01/94/554080194.db2.gz	PAZFEERKDYXRHO-XEKQOVJPSA-N	1	1	368.441	2.388	20	30		FEEDMO
CC(C)[C@H]1OCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000330209131	554085769	/nfs/dbraw/zinc/08/57/69/554085769.db2.gz	HGXGAINKQFSAEM-WCXIOVBPSA-N	1	1	355.523	2.439	20	30		FEEDMO
C[C@H](NC(=O)C[N@@H+]1CCOC[C@H](C2CCC2)C1)C(=O)N1CCCCC1	ZINC000330230884	554089184	/nfs/dbraw/zinc/08/91/84/554089184.db2.gz	DSQGTEXCEYTHIZ-DOTOQJQBSA-N	1	1	351.491	2.092	20	30		FEEDMO
C[C@H](NC(=O)C[N@H+]1CCOC[C@H](C2CCC2)C1)C(=O)N1CCCCC1	ZINC000330230884	554089185	/nfs/dbraw/zinc/08/91/85/554089185.db2.gz	DSQGTEXCEYTHIZ-DOTOQJQBSA-N	1	1	351.491	2.092	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1	ZINC000330248004	554092833	/nfs/dbraw/zinc/09/28/33/554092833.db2.gz	LZSBUNJMLDXJQA-PVAVHDDUSA-N	1	1	356.470	2.089	20	30		FEEDMO
CC(C)N1C[C@H](NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1=O	ZINC000330253913	554093380	/nfs/dbraw/zinc/09/33/80/554093380.db2.gz	OYCHZDNOYWKWHR-BPQIPLTHSA-N	1	1	358.486	2.335	20	30		FEEDMO
Cc1nc(CCNC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cs1	ZINC000330258663	554094686	/nfs/dbraw/zinc/09/46/86/554094686.db2.gz	MRQBGSUQQFNTKW-CYBMUJFWSA-N	1	1	352.504	2.093	20	30		FEEDMO
CCOc1ccc(C(=O)N(C)C)cc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C	ZINC000330895580	554184561	/nfs/dbraw/zinc/18/45/61/554184561.db2.gz	SBRQSRONVZTJJA-UONOGXRCSA-N	1	1	362.474	2.357	20	30		FEEDMO
COc1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1OC(C)C	ZINC000330975583	554196232	/nfs/dbraw/zinc/19/62/32/554196232.db2.gz	HGWOVTXBWRHFII-HUUCEWRRSA-N	1	1	365.474	2.415	20	30		FEEDMO
CC(C)NC(=O)NC1(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCCCC1	ZINC000331007902	554200445	/nfs/dbraw/zinc/20/04/45/554200445.db2.gz	QOYJKNHAGVNWOK-MRXNPFEDSA-N	1	1	352.523	2.402	20	30		FEEDMO
C[C@H](COc1cccc(F)c1)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C	ZINC000331217830	554232562	/nfs/dbraw/zinc/23/25/62/554232562.db2.gz	GQZXXGQKRZVPFH-CABCVRRESA-N	1	1	367.465	2.284	20	30		FEEDMO
CCOC(=O)[C@]1(C(C)C)CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1	ZINC000331282538	554241283	/nfs/dbraw/zinc/24/12/83/554241283.db2.gz	DLEFSDCYYHIYCD-HNAYVOBHSA-N	1	1	351.491	2.462	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000331290634	554242525	/nfs/dbraw/zinc/24/25/25/554242525.db2.gz	KFQRQACNMGLNDH-ZIAGYGMSSA-N	1	1	353.463	2.237	20	30		FEEDMO
CN(C)C(=O)C1(CNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCCC1	ZINC000331319014	554246586	/nfs/dbraw/zinc/24/65/86/554246586.db2.gz	KLWRBPHRRWZLRI-OAHLLOKOSA-N	1	1	352.523	2.259	20	30		FEEDMO
C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1	ZINC000508854816	561775344	/nfs/dbraw/zinc/77/53/44/561775344.db2.gz	DWFLBXNAODTYOW-MRXNPFEDSA-N	1	1	359.861	2.305	20	30		FEEDMO
C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1	ZINC000508854816	561775345	/nfs/dbraw/zinc/77/53/45/561775345.db2.gz	DWFLBXNAODTYOW-MRXNPFEDSA-N	1	1	359.861	2.305	20	30		FEEDMO
C=CCn1c(CCCc2ccccc2)nnc1N1CC[NH+](CCOC)CC1	ZINC000508876453	561776201	/nfs/dbraw/zinc/77/62/01/561776201.db2.gz	YARODHUUZFIXNC-UHFFFAOYSA-N	1	1	369.513	2.408	20	30		FEEDMO
C=CCn1c(-c2cccc(C)n2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1	ZINC000508921788	561778398	/nfs/dbraw/zinc/77/83/98/561778398.db2.gz	NCTPYBSTQDNSKG-UHFFFAOYSA-N	1	1	370.501	2.382	20	30		FEEDMO
C=CCn1c(-c2cccc(C)n2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1	ZINC000508921788	561778399	/nfs/dbraw/zinc/77/83/99/561778399.db2.gz	NCTPYBSTQDNSKG-UHFFFAOYSA-N	1	1	370.501	2.382	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000332045237	554369346	/nfs/dbraw/zinc/36/93/46/554369346.db2.gz	VOPOAMNASZCGHG-UYAOXDASSA-N	1	1	354.498	2.487	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1C(F)(F)F	ZINC000332322167	554425167	/nfs/dbraw/zinc/42/51/67/554425167.db2.gz	ZUFBUWNETWDOTJ-GJZGRUSLSA-N	1	1	373.400	2.482	20	30		FEEDMO
Cc1ccccc1[C@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000332669019	554493942	/nfs/dbraw/zinc/49/39/42/554493942.db2.gz	MPTHQFGRRFPGDP-FPOVZHCZSA-N	1	1	368.525	2.477	20	30		FEEDMO
CC[C@H](CNC(=O)N=c1[nH]n(C)cc1C#N)[N@H+]1CCc2ccccc2C1	ZINC000610564648	554529971	/nfs/dbraw/zinc/52/99/71/554529971.db2.gz	SRQWFIZJUDIYKG-QGZVFWFLSA-N	1	1	352.442	2.250	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)[nH]1	ZINC000610564878	554530317	/nfs/dbraw/zinc/53/03/17/554530317.db2.gz	SXTRTUSRXBXDHN-UHFFFAOYSA-N	1	1	352.442	2.120	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1=O	ZINC000348391851	554683977	/nfs/dbraw/zinc/68/39/77/554683977.db2.gz	RBHBICAESHCREQ-PXNSSMCTSA-N	1	1	357.454	2.164	20	30		FEEDMO
C=CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1CCOC1	ZINC000359912235	554856963	/nfs/dbraw/zinc/85/69/63/554856963.db2.gz	YTURMLCUVVQKFN-RTBURBONSA-N	1	1	364.511	2.115	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+](C[C@@H](O)c2cc(F)ccc2F)CC1	ZINC000361638081	554927704	/nfs/dbraw/zinc/92/77/04/554927704.db2.gz	YCZNHGJOQKALLU-GOSISDBHSA-N	1	1	358.392	2.477	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@@H](O)c2cc(F)ccc2F)CC1	ZINC000361638081	554927706	/nfs/dbraw/zinc/92/77/06/554927706.db2.gz	YCZNHGJOQKALLU-GOSISDBHSA-N	1	1	358.392	2.477	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000362971807	555004571	/nfs/dbraw/zinc/00/45/71/555004571.db2.gz	YXUDMVFURRREMY-RBUKOAKNSA-N	1	1	356.470	2.343	20	30		FEEDMO
CC(C)(C#N)CCC[NH+]1CCN(S(=O)(=O)N2CCCCCC2)CC1	ZINC000363043311	555017249	/nfs/dbraw/zinc/01/72/49/555017249.db2.gz	ZFMIFWIBKASWDJ-UHFFFAOYSA-N	1	1	356.536	2.055	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NC3CCCCC3)C2)CCCCC1	ZINC000363078730	555025215	/nfs/dbraw/zinc/02/52/15/555025215.db2.gz	BLSPWQUCHAGIBU-KRWDZBQOSA-N	1	1	374.529	2.490	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@H](C(=O)NC3CCCCC3)C2)CCCCC1	ZINC000363078730	555025217	/nfs/dbraw/zinc/02/52/17/555025217.db2.gz	BLSPWQUCHAGIBU-KRWDZBQOSA-N	1	1	374.529	2.490	20	30		FEEDMO
C=CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)Cc1ccon1	ZINC000363127832	555036528	/nfs/dbraw/zinc/03/65/28/555036528.db2.gz	GCQFEQXKAIHHDS-SFHVURJKSA-N	1	1	361.467	2.267	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1	ZINC000363457116	555110988	/nfs/dbraw/zinc/11/09/88/555110988.db2.gz	INUGJBVCCUPUGB-IAGOWNOFSA-N	1	1	357.454	2.323	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1	ZINC000363525909	555128237	/nfs/dbraw/zinc/12/82/37/555128237.db2.gz	UHDLIWAAMCRJPZ-MSOLQXFVSA-N	1	1	366.396	2.197	20	30		FEEDMO
C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1	ZINC000363525909	555128238	/nfs/dbraw/zinc/12/82/38/555128238.db2.gz	UHDLIWAAMCRJPZ-MSOLQXFVSA-N	1	1	366.396	2.197	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(NC(=O)C2CCC2)CC1	ZINC000363653224	555155875	/nfs/dbraw/zinc/15/58/75/555155875.db2.gz	XNINCUUIWRTTRI-AWEZNQCLSA-N	1	1	354.454	2.266	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@H](O)CCc2ccccc2)CC1	ZINC000363783370	555185430	/nfs/dbraw/zinc/18/54/30/555185430.db2.gz	WEMSYVYXOIUOBY-HXUWFJFHSA-N	1	1	350.466	2.459	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)CCO1	ZINC000512135322	561893639	/nfs/dbraw/zinc/89/36/39/561893639.db2.gz	IHNLBSWNBDHQIJ-OAHLLOKOSA-N	1	1	371.456	2.441	20	30		FEEDMO
C#CCN(C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)C1CCCC1	ZINC000363956740	555221448	/nfs/dbraw/zinc/22/14/48/555221448.db2.gz	CUPROMHRCATXHB-APWZRJJASA-N	1	1	357.502	2.390	20	30		FEEDMO
CC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)NC3(C#N)CCC3)c2C)C1	ZINC000364174516	555263437	/nfs/dbraw/zinc/26/34/37/555263437.db2.gz	GOOYLKFMWARZKS-UHFFFAOYSA-N	1	1	364.453	2.130	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000364226987	555273956	/nfs/dbraw/zinc/27/39/56/555273956.db2.gz	AQHKXJMYBBLLKC-HKUYNNGSSA-N	1	1	351.491	2.091	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1	ZINC000364429231	555312210	/nfs/dbraw/zinc/31/22/10/555312210.db2.gz	XJJCCRSOVHQYAE-OXJNMPFZSA-N	1	1	367.497	2.263	20	30		FEEDMO
C[C@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC[N@H+]1CC(C)(C)O	ZINC000364632365	555358142	/nfs/dbraw/zinc/35/81/42/555358142.db2.gz	QJBMBOSWPJMGSO-HNNXBMFYSA-N	1	1	354.454	2.490	20	30		FEEDMO
COC(=O)CCNC(=O)C[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000364970905	555453385	/nfs/dbraw/zinc/45/33/85/555453385.db2.gz	XQNUTPJZIIWNCY-GFCCVEGCSA-N	1	1	372.450	2.012	20	30		FEEDMO
Cn1cc(C[N@@H+](C)[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)cc1C#N	ZINC000365256328	555524256	/nfs/dbraw/zinc/52/42/56/555524256.db2.gz	MLWVLHRUNASRFG-INIZCTEOSA-N	1	1	354.458	2.254	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(OC4CCOCC4)CC3)C2=O)cc1	ZINC000365299545	555535880	/nfs/dbraw/zinc/53/58/80/555535880.db2.gz	IDRPALRITRZLIR-HXUWFJFHSA-N	1	1	369.465	2.324	20	30		FEEDMO
N#Cc1ccc(SCC(=O)N2CCC[N@H+](C3CCOCC3)CC2)cc1	ZINC000365402059	555565588	/nfs/dbraw/zinc/56/55/88/555565588.db2.gz	YNHNMHIBCDBKNF-UHFFFAOYSA-N	1	1	359.495	2.364	20	30		FEEDMO
C[C@@H](C#N)CN(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000367490244	556064541	/nfs/dbraw/zinc/06/45/41/556064541.db2.gz	RJUOCIABOPEYSV-DBVUQKKJSA-N	1	1	365.481	2.254	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1Cl	ZINC000367571981	556086485	/nfs/dbraw/zinc/08/64/85/556086485.db2.gz	BZZMXAAODVXTDB-DLBZAZTESA-N	1	1	363.845	2.420	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCOC[C@H]2[C@H]2CCCO2)cc1Cl	ZINC000367571981	556086488	/nfs/dbraw/zinc/08/64/88/556086488.db2.gz	BZZMXAAODVXTDB-DLBZAZTESA-N	1	1	363.845	2.420	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)CCC(C)(C)C#N)[C@@H]1c1ccc(F)cc1	ZINC000367668499	556110025	/nfs/dbraw/zinc/11/00/25/556110025.db2.gz	IAXPLBSJZSDEOZ-HOTGVXAUSA-N	1	1	353.463	2.430	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)CCC(C)(C)C#N)[C@@H]1c1ccc(F)cc1	ZINC000367668499	556110026	/nfs/dbraw/zinc/11/00/26/556110026.db2.gz	IAXPLBSJZSDEOZ-HOTGVXAUSA-N	1	1	353.463	2.430	20	30		FEEDMO
COC(=O)[C@]12CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2	ZINC000367794135	556141160	/nfs/dbraw/zinc/14/11/60/556141160.db2.gz	KRUUVWCMHFDGRT-PJFSTRORSA-N	1	1	359.426	2.370	20	30		FEEDMO
COC(=O)[C@]12CCC[C@H]1C[N@H+]([C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2	ZINC000367794135	556141161	/nfs/dbraw/zinc/14/11/61/556141161.db2.gz	KRUUVWCMHFDGRT-PJFSTRORSA-N	1	1	359.426	2.370	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](CC(N)=O)C2)sc2c1CCCCC2	ZINC000367982270	556187259	/nfs/dbraw/zinc/18/72/59/556187259.db2.gz	ISOWZEATLURLLK-ZDUSSCGKSA-N	1	1	374.510	2.415	20	30		FEEDMO
Cc1ccc2ncc(C#N)c(N3CC[NH+]([C@H]4CCCCNC4=O)CC3)c2c1	ZINC000368063014	556208574	/nfs/dbraw/zinc/20/85/74/556208574.db2.gz	LMRNGQASUQSNSK-IBGZPJMESA-N	1	1	363.465	2.206	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1	ZINC000368086382	556214931	/nfs/dbraw/zinc/21/49/31/556214931.db2.gz	XBMCINGQQMCYQV-DLBZAZTESA-N	1	1	371.462	2.294	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1	ZINC000368452602	556314055	/nfs/dbraw/zinc/31/40/55/556314055.db2.gz	BVNFIMLCGGTGJV-OAHLLOKOSA-N	1	1	353.426	2.197	20	30		FEEDMO
C=C(C)[C@H]([NH2+]CC(=O)N[C@H](C(=O)OC)C(C)C)c1ccc(F)c(F)c1	ZINC000515505951	562013421	/nfs/dbraw/zinc/01/34/21/562013421.db2.gz	ZMXQWNMZOGDLLP-IRXDYDNUSA-N	1	1	354.397	2.485	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O	ZINC000368972259	556464058	/nfs/dbraw/zinc/46/40/58/556464058.db2.gz	FZOSHIQGLRCDIP-OTRWWLKZSA-N	1	1	361.511	2.237	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O	ZINC000368972259	556464061	/nfs/dbraw/zinc/46/40/61/556464061.db2.gz	FZOSHIQGLRCDIP-OTRWWLKZSA-N	1	1	361.511	2.237	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1Cl	ZINC000368975636	556464700	/nfs/dbraw/zinc/46/47/00/556464700.db2.gz	RSUSGORMQDKHGK-RVSPLBMKSA-N	1	1	360.845	2.126	20	30		FEEDMO
CCc1nc(CN2CCC[C@H]([N@@H+](C)CCOc3ccccc3C#N)C2)no1	ZINC000369237233	556544780	/nfs/dbraw/zinc/54/47/80/556544780.db2.gz	PYGZNOLRBPZSRY-KRWDZBQOSA-N	1	1	369.469	2.479	20	30		FEEDMO
CCC[C@@H](NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccccc1	ZINC000369388128	556587597	/nfs/dbraw/zinc/58/75/97/556587597.db2.gz	FFOFFLNTYUQJNF-GOSISDBHSA-N	1	1	366.469	2.444	20	30		FEEDMO
CC(C)N(C)c1cnn([C@H]2CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)c(=O)c1	ZINC000369520823	556619178	/nfs/dbraw/zinc/61/91/78/556619178.db2.gz	RPBXQPMNVNQAKW-KRWDZBQOSA-N	1	1	368.485	2.135	20	30		FEEDMO
CC(C)N(C)c1cnn([C@H]2CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)c(=O)c1	ZINC000369520823	556619181	/nfs/dbraw/zinc/61/91/81/556619181.db2.gz	RPBXQPMNVNQAKW-KRWDZBQOSA-N	1	1	368.485	2.135	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000516243639	562037040	/nfs/dbraw/zinc/03/70/40/562037040.db2.gz	TXCVEILKMJDECJ-BEFAXECRSA-N	1	1	352.438	2.214	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000516243639	562037042	/nfs/dbraw/zinc/03/70/42/562037042.db2.gz	TXCVEILKMJDECJ-BEFAXECRSA-N	1	1	352.438	2.214	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000369692505	556670164	/nfs/dbraw/zinc/67/01/64/556670164.db2.gz	JHPOLSLAVVRDJM-ZDUSSCGKSA-N	1	1	368.397	2.327	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12	ZINC000369705141	556673318	/nfs/dbraw/zinc/67/33/18/556673318.db2.gz	VEHDAUQAUSCENC-QGZVFWFLSA-N	1	1	354.454	2.173	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)Cc2cnn(C)c2C)c(OC)c1	ZINC000516390056	562041585	/nfs/dbraw/zinc/04/15/85/562041585.db2.gz	SZXHTMSURGFZPR-GOSISDBHSA-N	1	1	359.470	2.337	20	30		FEEDMO
C[C@H](CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1	ZINC000369986826	556749552	/nfs/dbraw/zinc/74/95/52/556749552.db2.gz	PVLVUTHTPGWPOG-YLJYHZDGSA-N	1	1	369.513	2.279	20	30		FEEDMO
C=CC[C@H](CC)NC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1	ZINC000370004491	556755862	/nfs/dbraw/zinc/75/58/62/556755862.db2.gz	DBRXCURVTNZDGV-SFHVURJKSA-N	1	1	364.534	2.317	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cc1	ZINC000370293577	556831678	/nfs/dbraw/zinc/83/16/78/556831678.db2.gz	HCSMTYJOUZXCRC-OXQOHEQNSA-N	1	1	371.481	2.485	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cc1	ZINC000370293577	556831680	/nfs/dbraw/zinc/83/16/80/556831680.db2.gz	HCSMTYJOUZXCRC-OXQOHEQNSA-N	1	1	371.481	2.485	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1	ZINC000370774086	556964165	/nfs/dbraw/zinc/96/41/65/556964165.db2.gz	NYKCXQDCNNFUOP-AZUAARDMSA-N	1	1	354.454	2.230	20	30		FEEDMO
Cn1cc([C@H]2[C@@H](CNC(=O)CCc3ccc(C#N)cc3)CCC[N@H+]2C)cn1	ZINC000370905503	557010500	/nfs/dbraw/zinc/01/05/00/557010500.db2.gz	PSIDMGXHFBKIMD-WIYYLYMNSA-N	1	1	365.481	2.424	20	30		FEEDMO
C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@@H+](C)CCOCCC#N	ZINC000517043169	562073155	/nfs/dbraw/zinc/07/31/55/562073155.db2.gz	IYRJLCNCBPBZII-OAHLLOKOSA-N	1	1	351.472	2.150	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCc3nn(CC)c(=O)cc3C2)cc1OC	ZINC000371327627	557147512	/nfs/dbraw/zinc/14/75/12/557147512.db2.gz	OHSLDGARNBOOMG-UHFFFAOYSA-N	1	1	355.438	2.395	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCc3nn(CC)c(=O)cc3C2)cc1OC	ZINC000371327627	557147515	/nfs/dbraw/zinc/14/75/15/557147515.db2.gz	OHSLDGARNBOOMG-UHFFFAOYSA-N	1	1	355.438	2.395	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@H](C3CC3)C2)CC1	ZINC000371474075	557192964	/nfs/dbraw/zinc/19/29/64/557192964.db2.gz	VSZWSIJBMPRSQP-IRXDYDNUSA-N	1	1	358.511	2.189	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([NH+]3CCC4(CCOC4=O)CC3)C2=O)cc1	ZINC000371493067	557199144	/nfs/dbraw/zinc/19/91/44/557199144.db2.gz	MCFWCIFHBPYMMT-KRWDZBQOSA-N	1	1	353.422	2.083	20	30		FEEDMO
C=CC[N@H+](CCc1ccco1)CC(=O)N1CCC(C(=O)N2CCCC2)CC1	ZINC000371537177	557213784	/nfs/dbraw/zinc/21/37/84/557213784.db2.gz	XILMQMKPMNRVPC-UHFFFAOYSA-N	1	1	373.497	2.171	20	30		FEEDMO
C=CC[N@@H+](CCc1ccco1)CC(=O)N1CCC(C(=O)N2CCCC2)CC1	ZINC000371537177	557213790	/nfs/dbraw/zinc/21/37/90/557213790.db2.gz	XILMQMKPMNRVPC-UHFFFAOYSA-N	1	1	373.497	2.171	20	30		FEEDMO
Cc1cc(CN2CCC([N@H+](C)CC(=O)Nc3sccc3C#N)CC2)on1	ZINC000371861884	557313681	/nfs/dbraw/zinc/31/36/81/557313681.db2.gz	YOPVXQZGYBHXTM-UHFFFAOYSA-N	1	1	373.482	2.451	20	30		FEEDMO
Cc1cc(CN2CCC([N@@H+](C)CC(=O)Nc3sccc3C#N)CC2)on1	ZINC000371861884	557313683	/nfs/dbraw/zinc/31/36/83/557313683.db2.gz	YOPVXQZGYBHXTM-UHFFFAOYSA-N	1	1	373.482	2.451	20	30		FEEDMO
N#Cc1cnn2cc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cnc12	ZINC000518375598	562109898	/nfs/dbraw/zinc/10/98/98/562109898.db2.gz	DDYZJAMJXMNAEB-UHFFFAOYSA-N	1	1	371.448	2.181	20	30		FEEDMO
CN1CCC[C@]2(CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1=O	ZINC000372504053	557488076	/nfs/dbraw/zinc/48/80/76/557488076.db2.gz	KFLNYODLVCPWJB-GOSISDBHSA-N	1	1	360.845	2.094	20	30		FEEDMO
Cc1nn(C)c2ncc(C[N@H+]3CCCN(c4ncccc4C#N)CC3)cc12	ZINC000372620975	557523166	/nfs/dbraw/zinc/52/31/66/557523166.db2.gz	RBIVNHVLUXTWBN-UHFFFAOYSA-N	1	1	361.453	2.256	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1	ZINC000372760985	557556888	/nfs/dbraw/zinc/55/68/88/557556888.db2.gz	YNDGIWMHSZVVGU-IBGZPJMESA-N	1	1	367.493	2.179	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000372968266	557599283	/nfs/dbraw/zinc/59/92/83/557599283.db2.gz	YLXJDJCMKDCBGG-JKSUJKDBSA-N	1	1	364.490	2.080	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000372968266	557599285	/nfs/dbraw/zinc/59/92/85/557599285.db2.gz	YLXJDJCMKDCBGG-JKSUJKDBSA-N	1	1	364.490	2.080	20	30		FEEDMO
COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1	ZINC000373175776	557644009	/nfs/dbraw/zinc/64/40/09/557644009.db2.gz	AAAFFDLYCHVZQD-AEFFLSMTSA-N	1	1	371.437	2.059	20	30		FEEDMO
COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1	ZINC000373175776	557644011	/nfs/dbraw/zinc/64/40/11/557644011.db2.gz	AAAFFDLYCHVZQD-AEFFLSMTSA-N	1	1	371.437	2.059	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000373254149	557659170	/nfs/dbraw/zinc/65/91/70/557659170.db2.gz	GQMDFFCWLIYZRY-SFHLNBCPSA-N	1	1	358.482	2.063	20	30		FEEDMO
Cc1ccc(CC2(O)CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)cc1	ZINC000373409038	557688888	/nfs/dbraw/zinc/68/88/88/557688888.db2.gz	ZXRBRPNQAAEQKJ-HXUWFJFHSA-N	1	1	357.498	2.419	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NCC3(CC#N)CC3)C2)cc(OC)c1	ZINC000373764150	557754149	/nfs/dbraw/zinc/75/41/49/557754149.db2.gz	AZJGCYFAJMCWCZ-MRXNPFEDSA-N	1	1	372.469	2.271	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)NCC3(CC#N)CC3)C2)cc(OC)c1	ZINC000373764150	557754152	/nfs/dbraw/zinc/75/41/52/557754152.db2.gz	AZJGCYFAJMCWCZ-MRXNPFEDSA-N	1	1	372.469	2.271	20	30		FEEDMO
C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC(=O)N(CCC#N)CCC#N)C1	ZINC000373909824	557784802	/nfs/dbraw/zinc/78/48/02/557784802.db2.gz	DSLIRZGBMNPXDI-MKXGPGLRSA-N	1	1	360.502	2.294	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000373965152	557797688	/nfs/dbraw/zinc/79/76/88/557797688.db2.gz	NVJHDYZMNAWXKK-AABGKKOBSA-N	1	1	366.465	2.139	20	30		FEEDMO
CN(C)c1noc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)n1	ZINC000374634651	557909706	/nfs/dbraw/zinc/90/97/06/557909706.db2.gz	AAXOFJKSEQHVBB-HNNXBMFYSA-N	1	1	368.441	2.215	20	30		FEEDMO
COC(=O)[C@]12CCC[C@H]1C[N@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2	ZINC000374645882	557911656	/nfs/dbraw/zinc/91/16/56/557911656.db2.gz	KCKWEICNXAZWBF-DEYYWGMASA-N	1	1	359.451	2.000	20	30		FEEDMO
CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000521186782	562171175	/nfs/dbraw/zinc/17/11/75/562171175.db2.gz	SSVCXOIQNDVBCJ-APWZRJJASA-N	1	1	370.497	2.191	20	30		FEEDMO
CC1(c2cc(N3CC[NH+](C[C@@H](O)c4ccc(C#N)cc4)CC3)n[nH]2)CC1	ZINC000374811905	557935088	/nfs/dbraw/zinc/93/50/88/557935088.db2.gz	PMKODDNTWHKMLK-QGZVFWFLSA-N	1	1	351.454	2.188	20	30		FEEDMO
N#Cc1ccc(Cl)c(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c1	ZINC000375111103	557979508	/nfs/dbraw/zinc/97/95/08/557979508.db2.gz	IMXFBUQWOZQFMJ-UHFFFAOYSA-N	1	1	350.831	2.223	20	30		FEEDMO
COc1cccc(C(=O)N2CCC[N@H+](Cc3cc(C#N)n(C)c3)CC2)c1	ZINC000375450807	558029776	/nfs/dbraw/zinc/02/97/76/558029776.db2.gz	DZDNLIIWAVVOBT-UHFFFAOYSA-N	1	1	352.438	2.253	20	30		FEEDMO
COc1cccc(C(=O)N2CCC[N@@H+](Cc3cc(C#N)n(C)c3)CC2)c1	ZINC000375450807	558029777	/nfs/dbraw/zinc/02/97/77/558029777.db2.gz	DZDNLIIWAVVOBT-UHFFFAOYSA-N	1	1	352.438	2.253	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O	ZINC000375594241	558054285	/nfs/dbraw/zinc/05/42/85/558054285.db2.gz	CVKPAVSFDPKHAZ-OAHLLOKOSA-N	1	1	368.403	2.399	20	30		FEEDMO
Cc1cc(=NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)[nH]n1CCC#N	ZINC000376402933	558168987	/nfs/dbraw/zinc/16/89/87/558168987.db2.gz	WQSAFAFQHRITOR-SJLPKXTDSA-N	1	1	370.432	2.811	20	30		FEEDMO
Cc1cc(=NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)[nH]n1CCC#N	ZINC000376402933	558168988	/nfs/dbraw/zinc/16/89/88/558168988.db2.gz	WQSAFAFQHRITOR-SJLPKXTDSA-N	1	1	370.432	2.811	20	30		FEEDMO
CN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000376585102	558194217	/nfs/dbraw/zinc/19/42/17/558194217.db2.gz	SGEDBYZCALZWFB-SJPCQFCGSA-N	1	1	365.441	2.228	20	30		FEEDMO
Cc1ccc(N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)nc1C#N	ZINC000377158980	558278392	/nfs/dbraw/zinc/27/83/92/558278392.db2.gz	OEKCCBQYECVJMD-INIZCTEOSA-N	1	1	371.485	2.393	20	30		FEEDMO
C=CCN(C(=O)CCCCNC(N)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000377573134	558368815	/nfs/dbraw/zinc/36/88/15/558368815.db2.gz	NANKJZYQJLCIOA-SFHVURJKSA-N	1	1	358.486	2.114	20	30		FEEDMO
Cc1cc(=NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)[nH]n1CCC#N	ZINC000377578231	558370008	/nfs/dbraw/zinc/37/00/08/558370008.db2.gz	BKELKWNAXHHNNN-WMZOPIPTSA-N	1	1	366.469	2.890	20	30		FEEDMO
CCCN1CC[NH+](C2CCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1	ZINC000378274961	558517176	/nfs/dbraw/zinc/51/71/76/558517176.db2.gz	SEGYGJHUGABBAT-UHFFFAOYSA-N	1	1	354.498	2.385	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)cc1	ZINC000378337977	558532960	/nfs/dbraw/zinc/53/29/60/558532960.db2.gz	RBFVZYNWSXTGPJ-KRWDZBQOSA-N	1	1	372.513	2.400	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(CN2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)cc1	ZINC000378337977	558532963	/nfs/dbraw/zinc/53/29/63/558532963.db2.gz	RBFVZYNWSXTGPJ-KRWDZBQOSA-N	1	1	372.513	2.400	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(CN2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)cc1	ZINC000378337977	558532964	/nfs/dbraw/zinc/53/29/64/558532964.db2.gz	RBFVZYNWSXTGPJ-KRWDZBQOSA-N	1	1	372.513	2.400	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)CN(C)[C@H]2CC[N@H+](C3CC3)C2)c(OC)c1	ZINC000523582870	562215691	/nfs/dbraw/zinc/21/56/91/562215691.db2.gz	KDHVVCFKXAULAG-OALUTQOASA-N	1	1	360.498	2.332	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CCN(C3CC3)C2)c(OC)c1	ZINC000523582870	562215692	/nfs/dbraw/zinc/21/56/92/562215692.db2.gz	KDHVVCFKXAULAG-OALUTQOASA-N	1	1	360.498	2.332	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H]2CCN(C3CC3)C2)c(OC)c1	ZINC000523582870	562215693	/nfs/dbraw/zinc/21/56/93/562215693.db2.gz	KDHVVCFKXAULAG-OALUTQOASA-N	1	1	360.498	2.332	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000378553965	558581726	/nfs/dbraw/zinc/58/17/26/558581726.db2.gz	WZOWKTQBNPDSIH-GDBMZVCRSA-N	1	1	373.501	2.409	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000378553965	558581727	/nfs/dbraw/zinc/58/17/27/558581727.db2.gz	WZOWKTQBNPDSIH-GDBMZVCRSA-N	1	1	373.501	2.409	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)n1cnc(C#N)n1	ZINC000409777060	558719657	/nfs/dbraw/zinc/71/96/57/558719657.db2.gz	YFZSJARLZQRMBT-HUUCEWRRSA-N	1	1	368.441	2.070	20	30		FEEDMO
CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1	ZINC000409841663	558722510	/nfs/dbraw/zinc/72/25/10/558722510.db2.gz	XGQYPUOUWUMMJB-RYRKJORJSA-N	1	1	366.469	2.395	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1=O	ZINC000410116404	558739375	/nfs/dbraw/zinc/73/93/75/558739375.db2.gz	FLCICIRWCYVZIB-RBUKOAKNSA-N	1	1	355.482	2.286	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1=O	ZINC000410116404	558739376	/nfs/dbraw/zinc/73/93/76/558739376.db2.gz	FLCICIRWCYVZIB-RBUKOAKNSA-N	1	1	355.482	2.286	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C	ZINC000410161453	558743273	/nfs/dbraw/zinc/74/32/73/558743273.db2.gz	KTNLXNGIHPVYSQ-JQWIXIFHSA-N	1	1	361.389	2.338	20	30		FEEDMO
COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1	ZINC000411623358	558931247	/nfs/dbraw/zinc/93/12/47/558931247.db2.gz	HRFXGCKICXCDOG-KRWDZBQOSA-N	1	1	371.547	2.223	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1	ZINC000411645050	558935212	/nfs/dbraw/zinc/93/52/12/558935212.db2.gz	SCWQRJMTHFIMRU-UHFFFAOYSA-N	1	1	366.469	2.461	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000411662090	558938100	/nfs/dbraw/zinc/93/81/00/558938100.db2.gz	BETAAZLOIOJDHI-HNNXBMFYSA-N	1	1	356.470	2.274	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1	ZINC000411973214	558998078	/nfs/dbraw/zinc/99/80/78/558998078.db2.gz	WWGGFURWKNZKSG-YCRPNKLZSA-N	1	1	362.433	2.014	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1	ZINC000412050619	559006620	/nfs/dbraw/zinc/00/66/20/559006620.db2.gz	UFUJTMNHNIGVKA-FJIDUMEYSA-N	1	1	371.481	2.423	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000526057134	562265466	/nfs/dbraw/zinc/26/54/66/562265466.db2.gz	ULCLKDKMAJVGLT-OAHLLOKOSA-N	1	1	352.438	2.352	20	30		FEEDMO
COCC(COC)[NH+]1CCN(c2cccc(Br)c2C#N)CC1	ZINC000413478419	559110972	/nfs/dbraw/zinc/11/09/72/559110972.db2.gz	OUZPLWXAUOXWIP-UHFFFAOYSA-N	1	1	368.275	2.104	20	30		FEEDMO
COc1cc(N[C@H]2CCC[N@H+](CC(=O)NC3(C#N)CCC3)C2)cc(OC)c1	ZINC000526135851	562267923	/nfs/dbraw/zinc/26/79/23/562267923.db2.gz	IWFFEIGMGSXYRI-HNNXBMFYSA-N	1	1	372.469	2.143	20	30		FEEDMO
COc1cc(N[C@H]2CCC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)cc(OC)c1	ZINC000526135851	562267924	/nfs/dbraw/zinc/26/79/24/562267924.db2.gz	IWFFEIGMGSXYRI-HNNXBMFYSA-N	1	1	372.469	2.143	20	30		FEEDMO
CCn1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000413646598	559122635	/nfs/dbraw/zinc/12/26/35/559122635.db2.gz	YJUJBAADILRTCE-UHFFFAOYSA-N	1	1	366.469	2.192	20	30		FEEDMO
Cc1cc(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)c(C#N)cc1N(C)C	ZINC000417127631	559349114	/nfs/dbraw/zinc/34/91/14/559349114.db2.gz	GRKBIGFIARNHHF-AWEZNQCLSA-N	1	1	359.474	2.023	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC	ZINC000419155526	559430299	/nfs/dbraw/zinc/43/02/99/559430299.db2.gz	RRKUEOSGFFRXAA-WBVHZDCISA-N	1	1	359.470	2.029	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000419643841	559451313	/nfs/dbraw/zinc/45/13/13/559451313.db2.gz	OJHLKHHHWKBWEP-BEFAXECRSA-N	1	1	370.497	2.422	20	30		FEEDMO
C=CCC[C@H]1NC(=O)N([C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)C1=O	ZINC000419948642	559465964	/nfs/dbraw/zinc/46/59/64/559465964.db2.gz	KKTZZBALKYZDKU-MAUKXSAKSA-N	1	1	373.453	2.165	20	30		FEEDMO
C=CCC[C@@H]1NC(=O)N(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1=O	ZINC000419955426	559466257	/nfs/dbraw/zinc/46/62/57/559466257.db2.gz	RJPFXCIITXWBKH-MSOLQXFVSA-N	1	1	357.454	2.164	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)[C@@H]1C	ZINC000420931271	559512365	/nfs/dbraw/zinc/51/23/65/559512365.db2.gz	SWYDCUWVKWTWDI-YZVOILCLSA-N	1	1	351.491	2.483	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)[C@@H]1C	ZINC000420931271	559512366	/nfs/dbraw/zinc/51/23/66/559512366.db2.gz	SWYDCUWVKWTWDI-YZVOILCLSA-N	1	1	351.491	2.483	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)cc1	ZINC000421035230	559521226	/nfs/dbraw/zinc/52/12/26/559521226.db2.gz	HWSYCMWEDRACDV-QUCCMNQESA-N	1	1	371.481	2.069	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)cc1	ZINC000421035230	559521227	/nfs/dbraw/zinc/52/12/27/559521227.db2.gz	HWSYCMWEDRACDV-QUCCMNQESA-N	1	1	371.481	2.069	20	30		FEEDMO
C[NH+](C)CCNC(=O)c1cccc(CNCc2ccc(C#N)c(F)c2)c1	ZINC000421322917	559539134	/nfs/dbraw/zinc/53/91/34/559539134.db2.gz	HJFNGRPRFXVMOE-UHFFFAOYSA-N	1	1	354.429	2.279	20	30		FEEDMO
Cc1ccc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)nc1C#N	ZINC000527294457	562284150	/nfs/dbraw/zinc/28/41/50/562284150.db2.gz	LHQLZNXGEDDLQD-UHFFFAOYSA-N	1	1	350.422	2.355	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1	ZINC000421508532	559544042	/nfs/dbraw/zinc/54/40/42/559544042.db2.gz	FIOCWNZBMZSYDQ-IEBWSBKVSA-N	1	1	357.498	2.138	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000422083604	559564138	/nfs/dbraw/zinc/56/41/38/559564138.db2.gz	IXDHFDFFMYLMOF-QYZOEREBSA-N	1	1	355.482	2.033	20	30		FEEDMO
C=CCC1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCOCC1	ZINC000424635561	559671777	/nfs/dbraw/zinc/67/17/77/559671777.db2.gz	ZVKRHVLWVNXLOM-UHFFFAOYSA-N	1	1	372.513	2.083	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1c(C#N)cccc1[N+](=O)[O-]	ZINC000425237448	559692791	/nfs/dbraw/zinc/69/27/91/559692791.db2.gz	SCIXIEIRNSMFBC-OAHLLOKOSA-N	1	1	366.425	2.484	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21	ZINC000425379165	559698824	/nfs/dbraw/zinc/69/88/24/559698824.db2.gz	DCOJUZSQCFVAEK-RBUKOAKNSA-N	1	1	355.482	2.144	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1	ZINC000425420896	559701398	/nfs/dbraw/zinc/70/13/98/559701398.db2.gz	NCEFSHKTCJNILM-UXPWSPDFSA-N	1	1	373.497	2.298	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1	ZINC000425420896	559701399	/nfs/dbraw/zinc/70/13/99/559701399.db2.gz	NCEFSHKTCJNILM-UXPWSPDFSA-N	1	1	373.497	2.298	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@@H]1CC[C@H](C#N)C1)CC2	ZINC000425669640	559714056	/nfs/dbraw/zinc/71/40/56/559714056.db2.gz	DBLMXGQIJCSYRJ-WMLDXEAASA-N	1	1	372.469	2.053	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@@H]1CC[C@H](C#N)C1)CC2	ZINC000425669640	559714057	/nfs/dbraw/zinc/71/40/57/559714057.db2.gz	DBLMXGQIJCSYRJ-WMLDXEAASA-N	1	1	372.469	2.053	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@H]1CCO)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000426251048	559731495	/nfs/dbraw/zinc/73/14/95/559731495.db2.gz	WFGHQEAMCNKGCP-MRXNPFEDSA-N	1	1	354.372	2.020	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1	ZINC000429025390	559789107	/nfs/dbraw/zinc/78/91/07/559789107.db2.gz	IFLILPJNDISPLW-NRFANRHFSA-N	1	1	370.497	2.360	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1C(C)C	ZINC000429396746	559797840	/nfs/dbraw/zinc/79/78/40/559797840.db2.gz	GSQGZSIRACBZQT-BZSNNMDCSA-N	1	1	355.438	2.183	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)CC(=O)Nc1ccc(Br)cn1	ZINC000429702896	559804285	/nfs/dbraw/zinc/80/42/85/559804285.db2.gz	OZNYSAYGNQUBGT-UHFFFAOYSA-N	1	1	355.280	2.222	20	30		FEEDMO
N#CCCC[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1	ZINC000431931123	559848689	/nfs/dbraw/zinc/84/86/89/559848689.db2.gz	MRURDLBLFNVNJB-MSOLQXFVSA-N	1	1	371.485	2.061	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)s1)c1ccc(F)cc1	ZINC000435433928	559922920	/nfs/dbraw/zinc/92/29/20/559922920.db2.gz	VHVRLZVCDYQTQA-CQSZACIVSA-N	1	1	353.444	2.340	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H](C)C1	ZINC000435436741	559923047	/nfs/dbraw/zinc/92/30/47/559923047.db2.gz	GTLMDWDEFXBEOC-HIFRSBDPSA-N	1	1	371.528	2.035	20	30		FEEDMO
CN(C)c1cc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc2n1	ZINC000439583470	559997204	/nfs/dbraw/zinc/99/72/04/559997204.db2.gz	YDURBOJZTYSRHM-FQEVSTJZSA-N	1	1	359.433	2.489	20	30		FEEDMO
C[C@H](C#N)CN(C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)C1CC1	ZINC000440031046	560003414	/nfs/dbraw/zinc/00/34/14/560003414.db2.gz	UBBQSLHJEWDTPH-GFCCVEGCSA-N	1	1	362.861	2.491	20	30		FEEDMO
C[N@H+](CCCO)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2	ZINC000440946722	560020014	/nfs/dbraw/zinc/02/00/14/560020014.db2.gz	AGZZBKXYICOEFH-UHFFFAOYSA-N	1	1	366.465	2.480	20	30		FEEDMO
C[N@@H+](CCCO)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2	ZINC000440946722	560020015	/nfs/dbraw/zinc/02/00/15/560020015.db2.gz	AGZZBKXYICOEFH-UHFFFAOYSA-N	1	1	366.465	2.480	20	30		FEEDMO
CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@@H]1C	ZINC000441088757	560023517	/nfs/dbraw/zinc/02/35/17/560023517.db2.gz	QSAHWHCEUDEPIS-LSDHHAIUSA-N	1	1	372.469	2.225	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@@H]1C	ZINC000441088757	560023518	/nfs/dbraw/zinc/02/35/18/560023518.db2.gz	QSAHWHCEUDEPIS-LSDHHAIUSA-N	1	1	372.469	2.225	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)CC[N@H+]1C	ZINC000442126012	560044479	/nfs/dbraw/zinc/04/44/79/560044479.db2.gz	FZJIEERDIUESCK-KBPBESRZSA-N	1	1	360.483	2.230	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C	ZINC000442151250	560045087	/nfs/dbraw/zinc/04/50/87/560045087.db2.gz	INXLALGEWUCRGS-MFKMUULPSA-N	1	1	368.359	2.114	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NCC[N@@H+]3CCCC(C)(C)C3)cc2C1=O	ZINC000444616441	560116701	/nfs/dbraw/zinc/11/67/01/560116701.db2.gz	IORMRDVXOOZDKS-UHFFFAOYSA-N	1	1	369.465	2.320	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1	ZINC000444806188	560121251	/nfs/dbraw/zinc/12/12/51/560121251.db2.gz	UBLBRYKYFBNSCV-ZWKOTPCHSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1	ZINC000444806188	560121252	/nfs/dbraw/zinc/12/12/52/560121252.db2.gz	UBLBRYKYFBNSCV-ZWKOTPCHSA-N	1	1	367.511	2.054	20	30		FEEDMO
CC(C)[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H](O)COc1ccccc1	ZINC000444806705	560121286	/nfs/dbraw/zinc/12/12/86/560121286.db2.gz	WRXDSRPMPFYBSQ-GOSISDBHSA-N	1	1	373.497	2.479	20	30		FEEDMO
C=CC[C@H]1N(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCCC1(C)C	ZINC000445153248	560130039	/nfs/dbraw/zinc/13/00/39/560130039.db2.gz	SOAQNYLZEILHEF-DLBZAZTESA-N	1	1	364.534	2.350	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000448329445	560184817	/nfs/dbraw/zinc/18/48/17/560184817.db2.gz	WGLLDQPDCPXUDB-HNNXBMFYSA-N	1	1	373.501	2.290	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000448698322	560194893	/nfs/dbraw/zinc/19/48/93/560194893.db2.gz	PIEARINAMBZCKV-HNNXBMFYSA-N	1	1	351.454	2.135	20	30		FEEDMO
COCC[N@@H+](C)CC[C@@H](NC(=O)c1ccc(C#N)n1C)c1ccccc1	ZINC000448907358	560206206	/nfs/dbraw/zinc/20/62/06/560206206.db2.gz	HYYDVRPTYRMQJQ-GOSISDBHSA-N	1	1	354.454	2.336	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(C#N)n1C	ZINC000448951014	560208568	/nfs/dbraw/zinc/20/85/68/560208568.db2.gz	OLNWIFXRNPFIGL-GOSISDBHSA-N	1	1	351.454	2.418	20	30		FEEDMO
N#CCCn1cc(CNC[C@@H]2CCC[N@H+]2CCCO)c(-c2ccccc2)n1	ZINC000449390093	560228304	/nfs/dbraw/zinc/22/83/04/560228304.db2.gz	VGMNBFMMCCXQLD-FQEVSTJZSA-N	1	1	367.497	2.400	20	30		FEEDMO
N#CCCn1cc(CNC[C@@H]2CCC[N@@H+]2CCCO)c(-c2ccccc2)n1	ZINC000449390093	560228305	/nfs/dbraw/zinc/22/83/05/560228305.db2.gz	VGMNBFMMCCXQLD-FQEVSTJZSA-N	1	1	367.497	2.400	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@H+]3CCOC[C@@H]3CC(N)=O)c2)c1	ZINC000449768197	560239496	/nfs/dbraw/zinc/23/94/96/560239496.db2.gz	FLNKBAGQHZDRIF-IBGZPJMESA-N	1	1	365.433	2.213	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC[C@@H]3CC(N)=O)c2)c1	ZINC000449768197	560239497	/nfs/dbraw/zinc/23/94/97/560239497.db2.gz	FLNKBAGQHZDRIF-IBGZPJMESA-N	1	1	365.433	2.213	20	30		FEEDMO
C[C@H](CNC(=O)COc1ccc(C#N)c(Br)c1)[N@@H+](C)C1CC1	ZINC000449834058	560241934	/nfs/dbraw/zinc/24/19/34/560241934.db2.gz	IWQLLZLLTOITDT-LLVKDONJSA-N	1	1	366.259	2.298	20	30		FEEDMO
C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)COc1cccc(Br)c1C#N	ZINC000450347681	560259398	/nfs/dbraw/zinc/25/93/98/560259398.db2.gz	IRWQDADSQPYOHB-RYUDHWBXSA-N	1	1	366.259	2.251	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)COc2cccc(Br)c2C#N)CCC[N@H+]1C	ZINC000450547015	560265844	/nfs/dbraw/zinc/26/58/44/560265844.db2.gz	LUOTZBZXGVSWRV-RISCZKNCSA-N	1	1	366.259	2.298	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3cc(C#N)cc(C)n3)C2)CC1	ZINC000450770177	560272730	/nfs/dbraw/zinc/27/27/30/560272730.db2.gz	IGBABKUFMHJJDW-SFHVURJKSA-N	1	1	355.486	2.032	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000451176442	560291447	/nfs/dbraw/zinc/29/14/47/560291447.db2.gz	DUAAKWLBEYOZGZ-SFHVURJKSA-N	1	1	352.438	2.216	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1	ZINC000451214422	560293668	/nfs/dbraw/zinc/29/36/68/560293668.db2.gz	WKJTXVIOSJVEOO-ZRGWGRIASA-N	1	1	350.507	2.043	20	30		FEEDMO
C[C@@H]1[C@H](O)CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000451460359	560308349	/nfs/dbraw/zinc/30/83/49/560308349.db2.gz	RFMSGDJKMXDKRU-CZUORRHYSA-N	1	1	354.372	2.018	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@H]1C(=O)NCC(F)F	ZINC000451795043	560328845	/nfs/dbraw/zinc/32/88/45/560328845.db2.gz	IEACQBYXTHDQJY-LBPRGKRZSA-N	1	1	370.425	2.184	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCC[C@H]1C(=O)NCC(F)F	ZINC000451795043	560328846	/nfs/dbraw/zinc/32/88/46/560328846.db2.gz	IEACQBYXTHDQJY-LBPRGKRZSA-N	1	1	370.425	2.184	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1	ZINC000451996048	560343843	/nfs/dbraw/zinc/34/38/43/560343843.db2.gz	PBYPZIIMWGKZII-WDSOQIARSA-N	1	1	356.466	2.464	20	30		FEEDMO
C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453643887	560392880	/nfs/dbraw/zinc/39/28/80/560392880.db2.gz	LOHAGLHOCXZYRG-HIFRSBDPSA-N	1	1	374.872	2.430	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453643887	560392881	/nfs/dbraw/zinc/39/28/81/560392881.db2.gz	LOHAGLHOCXZYRG-HIFRSBDPSA-N	1	1	374.872	2.430	20	30		FEEDMO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000453675738	560395748	/nfs/dbraw/zinc/39/57/48/560395748.db2.gz	SEIKUMWNQOKZEL-APWZRJJASA-N	1	1	366.465	2.166	20	30		FEEDMO
CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453703502	560398066	/nfs/dbraw/zinc/39/80/66/560398066.db2.gz	BTETVVHUAMYUDD-AWEZNQCLSA-N	1	1	372.469	2.084	20	30		FEEDMO
N#CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c(Cl)c1	ZINC000453752026	560401672	/nfs/dbraw/zinc/40/16/72/560401672.db2.gz	QGVDATNCLBAEGX-HNNXBMFYSA-N	1	1	374.872	2.478	20	30		FEEDMO
CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000453981047	560419013	/nfs/dbraw/zinc/41/90/13/560419013.db2.gz	RUGUMLZAEORHFU-INIZCTEOSA-N	1	1	372.469	2.227	20	30		FEEDMO
CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000453981047	560419014	/nfs/dbraw/zinc/41/90/14/560419014.db2.gz	RUGUMLZAEORHFU-INIZCTEOSA-N	1	1	372.469	2.227	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1	ZINC000454204957	560434348	/nfs/dbraw/zinc/43/43/48/560434348.db2.gz	FAUNMWVBZDBVMX-LPHOPBHVSA-N	1	1	356.470	2.400	20	30		FEEDMO
C=CCC1(CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCCC1	ZINC000454644526	560452673	/nfs/dbraw/zinc/45/26/73/560452673.db2.gz	IBYMAMHFKMYHPU-KRWDZBQOSA-N	1	1	364.534	2.365	20	30		FEEDMO
C[C@H]1CN(C(=O)N=c2ccn(CCC#N)[nH]2)CC[N@@H+](Cc2ccccc2)C1	ZINC000454825408	560459766	/nfs/dbraw/zinc/45/97/66/560459766.db2.gz	JPFLDRJRLCVSRK-QGZVFWFLSA-N	1	1	366.469	2.783	20	30		FEEDMO
C=C(C)CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1	ZINC000455897156	560499540	/nfs/dbraw/zinc/49/95/40/560499540.db2.gz	LPXCPDCRMIHEDK-UHFFFAOYSA-N	1	1	368.279	2.294	20	30		FEEDMO
CN(CC(C)(C)C#N)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000457739501	560585114	/nfs/dbraw/zinc/58/51/14/560585114.db2.gz	RULJXLOSHZEQGD-UHFFFAOYSA-N	1	1	361.465	2.139	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1	ZINC000458379276	560618564	/nfs/dbraw/zinc/61/85/64/560618564.db2.gz	NGQALLKBWIKDPA-UHFFFAOYSA-N	1	1	374.529	2.467	20	30		FEEDMO
C=C(C)Cn1c(C2CC2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1	ZINC000460804281	560752361	/nfs/dbraw/zinc/75/23/61/560752361.db2.gz	IRHDEHXZAQXXBZ-UHFFFAOYSA-N	1	1	374.533	2.112	20	30		FEEDMO
C=C(C)Cn1c(C2CC2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1	ZINC000460804281	560752362	/nfs/dbraw/zinc/75/23/62/560752362.db2.gz	IRHDEHXZAQXXBZ-UHFFFAOYSA-N	1	1	374.533	2.112	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000464493947	560843409	/nfs/dbraw/zinc/84/34/09/560843409.db2.gz	HTNNRQPLPQUYTB-TXPKVOOTSA-N	1	1	351.491	2.483	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000464493947	560843410	/nfs/dbraw/zinc/84/34/10/560843410.db2.gz	HTNNRQPLPQUYTB-TXPKVOOTSA-N	1	1	351.491	2.483	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1	ZINC000467313834	560908453	/nfs/dbraw/zinc/90/84/53/560908453.db2.gz	HJYVCFRZFJCBSV-HZPDHXFCSA-N	1	1	359.470	2.269	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1	ZINC000469749181	560963692	/nfs/dbraw/zinc/96/36/92/560963692.db2.gz	SELQVKJUHDOKLS-GFCCVEGCSA-N	1	1	373.375	2.416	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H]1C	ZINC000470002440	560971658	/nfs/dbraw/zinc/97/16/58/560971658.db2.gz	JKQYURSXSWVVNA-SJLPKXTDSA-N	1	1	357.454	2.434	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H]1C	ZINC000470002440	560971659	/nfs/dbraw/zinc/97/16/59/560971659.db2.gz	JKQYURSXSWVVNA-SJLPKXTDSA-N	1	1	357.454	2.434	20	30		FEEDMO
C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1nc(-c2cccnc2)no1	ZINC000473297658	561046817	/nfs/dbraw/zinc/04/68/17/561046817.db2.gz	PMSKOWPIIOLOFM-UHFFFAOYSA-N	1	1	362.393	2.464	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1nc(-c2cccnc2)no1	ZINC000473297658	561046818	/nfs/dbraw/zinc/04/68/18/561046818.db2.gz	PMSKOWPIIOLOFM-UHFFFAOYSA-N	1	1	362.393	2.464	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1cc(C#N)ccc1F	ZINC000476120717	561111640	/nfs/dbraw/zinc/11/16/40/561111640.db2.gz	LLUVYTQCKXOJJG-UHFFFAOYSA-N	1	1	352.373	2.163	20	30		FEEDMO
COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1	ZINC000476195204	561112854	/nfs/dbraw/zinc/11/28/54/561112854.db2.gz	BYKDKFUUOQBPIU-FUHWJXTLSA-N	1	1	357.454	2.170	20	30		FEEDMO
C[C@H]1C[C@H](CCNC(=O)c2cnn(C)c2C#N)C[N@H+]1Cc1ccccc1	ZINC000476453279	561119884	/nfs/dbraw/zinc/11/98/84/561119884.db2.gz	CEPXFGKTQILTCK-RDJZCZTQSA-N	1	1	351.454	2.322	20	30		FEEDMO
CCC[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)CC[N@@H+]1CCOC	ZINC000476502031	561120937	/nfs/dbraw/zinc/12/09/37/561120937.db2.gz	CFLHCOIFZVQTHB-QGZVFWFLSA-N	1	1	371.547	2.223	20	30		FEEDMO
CCC[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCCC2)CC[N@H+]1CCOC	ZINC000476502031	561120938	/nfs/dbraw/zinc/12/09/38/561120938.db2.gz	CFLHCOIFZVQTHB-QGZVFWFLSA-N	1	1	371.547	2.223	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@H]3CC[N@H+]3C3CCCC3)C2)nc1	ZINC000528294607	562321335	/nfs/dbraw/zinc/32/13/35/562321335.db2.gz	LLSBXIWRADXJOA-QZTJIDSGSA-N	1	1	369.469	2.133	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCCN(c2ccccc2)CC1	ZINC000528352961	562324304	/nfs/dbraw/zinc/32/43/04/562324304.db2.gz	LSEPFDCTPFLIJH-UHFFFAOYSA-N	1	1	373.456	2.498	20	30		FEEDMO
Cc1nccc([C@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)n1	ZINC000528357138	562324618	/nfs/dbraw/zinc/32/46/18/562324618.db2.gz	UDBYOQMGZBNBHL-ROUUACIJSA-N	1	1	352.438	2.276	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H](OCC2CC2)C1	ZINC000528466784	562330768	/nfs/dbraw/zinc/33/07/68/562330768.db2.gz	WTJFOLUSSGRTDG-QGZVFWFLSA-N	1	1	352.434	2.177	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cc1ccc(C#N)nc1	ZINC000528513263	562333365	/nfs/dbraw/zinc/33/33/65/562333365.db2.gz	SFFJIQQLEFILCK-FQEVSTJZSA-N	1	1	363.465	2.404	20	30		FEEDMO
CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC(O)(CC#N)C1	ZINC000529066168	562358605	/nfs/dbraw/zinc/35/86/05/562358605.db2.gz	ATZSIWMLBSGHFP-RTBURBONSA-N	1	1	355.482	2.268	20	30		FEEDMO
COCc1ccc(NC(=O)N2CC[NH+](CCOC(C)C)CC2)cc1C#N	ZINC000529212911	562365182	/nfs/dbraw/zinc/36/51/82/562365182.db2.gz	OZKXHMUDMVRCCF-UHFFFAOYSA-N	1	1	360.458	2.279	20	30		FEEDMO
COCc1ccc(NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1C#N	ZINC000529219398	562365242	/nfs/dbraw/zinc/36/52/42/562365242.db2.gz	WBQXOJCJPDARIA-SFHVURJKSA-N	1	1	360.458	2.183	20	30		FEEDMO
N#CC1(CS(=O)(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCCC1	ZINC000530537976	562415331	/nfs/dbraw/zinc/41/53/31/562415331.db2.gz	QVXKOBRZGUYVNT-KDURUIRLSA-N	1	1	373.522	2.464	20	30		FEEDMO
Cc1ccc2nc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc(=O)n2c1	ZINC000532467056	562478808	/nfs/dbraw/zinc/47/88/08/562478808.db2.gz	GDHPSYBVZMPYLG-UHFFFAOYSA-N	1	1	373.460	2.192	20	30		FEEDMO
N#Cc1ccc([C@H](C(N)=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1	ZINC000532753989	562487548	/nfs/dbraw/zinc/48/75/48/562487548.db2.gz	XAODBFSAOIRDPX-HXUWFJFHSA-N	1	1	366.440	2.432	20	30		FEEDMO
N#Cc1ccc([C@H](C(N)=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1	ZINC000532753989	562487549	/nfs/dbraw/zinc/48/75/49/562487549.db2.gz	XAODBFSAOIRDPX-HXUWFJFHSA-N	1	1	366.440	2.432	20	30		FEEDMO
CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000533095964	562498285	/nfs/dbraw/zinc/49/82/85/562498285.db2.gz	KPECGGKRNPSMII-UHFFFAOYSA-N	1	1	353.463	2.438	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)OCC	ZINC000534185283	562527132	/nfs/dbraw/zinc/52/71/32/562527132.db2.gz	LDUVQCRPYMSITJ-UFYCRDLUSA-N	1	1	360.498	2.357	20	30		FEEDMO
Cn1cc[nH+]c1[C@H]1CCN(CC(=O)Nc2ccccc2SCC#N)C1	ZINC000535314794	562555867	/nfs/dbraw/zinc/55/58/67/562555867.db2.gz	RRIWOYLHKYGBOT-AWEZNQCLSA-N	1	1	355.467	2.464	20	30		FEEDMO
C=C(C)[C@H](CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1)OCC	ZINC000535895933	562570491	/nfs/dbraw/zinc/57/04/91/562570491.db2.gz	RLBOJBHVCGEMJA-IBGZPJMESA-N	1	1	363.477	2.435	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000537034750	562584404	/nfs/dbraw/zinc/58/44/04/562584404.db2.gz	WHFXVZRRILRHMD-UHFFFAOYSA-N	1	1	368.485	2.066	20	30		FEEDMO
CN(CCN(C)C1CC[NH+](C)CC1)Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000537034750	562584405	/nfs/dbraw/zinc/58/44/05/562584405.db2.gz	WHFXVZRRILRHMD-UHFFFAOYSA-N	1	1	368.485	2.066	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCC(CC#N)CC2)[C@@H](C)C1	ZINC000541921106	562623391	/nfs/dbraw/zinc/62/33/91/562623391.db2.gz	ZOPGGBYGSBQVSE-FUHWJXTLSA-N	1	1	350.507	2.459	20	30		FEEDMO
Cn1cc(C#N)cc1-c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)nc2)no1	ZINC000545656742	562629614	/nfs/dbraw/zinc/62/96/14/562629614.db2.gz	SGICBKNFRDEEOP-UHFFFAOYSA-N	1	1	363.425	2.151	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCN2CCN(c3ccccc3)CC2)C[C@H](C)N1CC#N	ZINC000602849388	568000957	/nfs/dbraw/zinc/00/09/57/568000957.db2.gz	LAZCYVACKSJYSM-BGYRXZFFSA-N	1	1	355.530	2.117	20	30		FEEDMO
C[C@@H]1CN(CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)N1CC#N	ZINC000602849388	568000959	/nfs/dbraw/zinc/00/09/59/568000959.db2.gz	LAZCYVACKSJYSM-BGYRXZFFSA-N	1	1	355.530	2.117	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CC1	ZINC000602886097	568005631	/nfs/dbraw/zinc/00/56/31/568005631.db2.gz	JCAZKSRLLRWFRA-KBPBESRZSA-N	1	1	366.259	2.352	20	30		FEEDMO
N#CCCN1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1	ZINC000602799958	568036402	/nfs/dbraw/zinc/03/64/02/568036402.db2.gz	SMWSBJKZPXZJRZ-OAHLLOKOSA-N	1	1	358.269	2.264	20	30		FEEDMO
Cc1[nH+]ccn1Cc1cn([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)nn1	ZINC000603190965	568072002	/nfs/dbraw/zinc/07/20/02/568072002.db2.gz	IEZPWCXEZPKCPH-XAUUPUKJSA-N	1	1	369.473	2.323	20	30		FEEDMO
Cc1c(NC(=O)CC[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cccc1[N+](=O)[O-]	ZINC000609486928	568346558	/nfs/dbraw/zinc/34/65/58/568346558.db2.gz	UKFFFEXCIRDHIJ-SFHVURJKSA-N	1	1	373.457	2.398	20	30		FEEDMO
C=CC[N@H+](CCC(=O)N1CCC[C@@H]1C)Cc1cccc(-c2nn[nH]n2)c1	ZINC000819744135	599566322	/nfs/dbraw/zinc/56/63/22/599566322.db2.gz	XLRUTMNDNHSUTI-HNNXBMFYSA-N	1	1	354.458	2.256	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)C1CC1	ZINC000557836636	674469623	/nfs/dbraw/zinc/46/96/23/674469623.db2.gz	SUJQSGBRICFTOM-KRWDZBQOSA-N	1	1	359.451	2.340	20	30		FEEDMO
C#CCNC(=O)C[N@H+]1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C	ZINC000808798018	674472850	/nfs/dbraw/zinc/47/28/50/674472850.db2.gz	IBBZHUQAEGGSIG-OKILXGFUSA-N	1	1	353.388	2.354	20	30		FEEDMO
C#CCNC(=O)C[N@@H+]1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C	ZINC000808798018	674472851	/nfs/dbraw/zinc/47/28/51/674472851.db2.gz	IBBZHUQAEGGSIG-OKILXGFUSA-N	1	1	353.388	2.354	20	30		FEEDMO
C[NH+](C)Cc1cnc(CN2CCN(Cc3ccc(C#N)cc3)CC2)s1	ZINC000809542133	674496567	/nfs/dbraw/zinc/49/65/67/674496567.db2.gz	UQENIVUZFFKKRD-UHFFFAOYSA-N	1	1	355.511	2.394	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000822801890	606073095	/nfs/dbraw/zinc/07/30/95/606073095.db2.gz	QFFNXUAFEFKWLM-LJQANCHMSA-N	1	1	359.437	2.249	20	30		FEEDMO
C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1	ZINC000819701699	606888490	/nfs/dbraw/zinc/88/84/90/606888490.db2.gz	LEDKYZCZHYHFJL-SFHVURJKSA-N	1	1	351.385	2.175	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)c1ccc(Cl)cc1	ZINC000561511440	674673700	/nfs/dbraw/zinc/67/37/00/674673700.db2.gz	MVJIRDXFKFWUCQ-AWEZNQCLSA-N	1	1	353.831	2.386	20	30		FEEDMO
C#CC[N@H+](C)CCCNc1ccc(S(=O)(=O)N(C(C)C)C(C)C)cn1	ZINC000814930015	674888981	/nfs/dbraw/zinc/88/89/81/674888981.db2.gz	RPGATWUXLDRDEA-UHFFFAOYSA-N	1	1	366.531	2.256	20	30		FEEDMO
Cc1cccc2c1OCC[C@H]2[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000563617865	674918271	/nfs/dbraw/zinc/91/82/71/674918271.db2.gz	IGWPPFUUBNNDMT-MRXNPFEDSA-N	1	1	357.435	2.149	20	30		FEEDMO
N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1	ZINC000815141546	674923715	/nfs/dbraw/zinc/92/37/15/674923715.db2.gz	BGVJXBFCALGAJA-MRXNPFEDSA-N	1	1	361.833	2.163	20	30		FEEDMO
N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1	ZINC000815141546	674923718	/nfs/dbraw/zinc/92/37/18/674923718.db2.gz	BGVJXBFCALGAJA-MRXNPFEDSA-N	1	1	361.833	2.163	20	30		FEEDMO
C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C2	ZINC001048526572	675008897	/nfs/dbraw/zinc/00/88/97/675008897.db2.gz	WCZFCULICHFXNV-YMILTQATSA-N	1	1	353.894	2.013	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@@H]2C1	ZINC001049069969	675022395	/nfs/dbraw/zinc/02/23/95/675022395.db2.gz	ZDBTZMKLZFLODO-TWMKSMIVSA-N	1	1	361.873	2.216	20	30		FEEDMO
C=CCCCCCNC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1	ZINC000564465860	675024063	/nfs/dbraw/zinc/02/40/63/675024063.db2.gz	GMVUSOFKLMUPQW-UHFFFAOYSA-N	1	1	352.523	2.319	20	30		FEEDMO
C=CCCCCCNC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1	ZINC000564465860	675024065	/nfs/dbraw/zinc/02/40/65/675024065.db2.gz	GMVUSOFKLMUPQW-UHFFFAOYSA-N	1	1	352.523	2.319	20	30		FEEDMO
COc1cc(C#N)cc(Br)c1OC[C@@H](O)C[N@@H+](C)C1CC1	ZINC000564559620	675036735	/nfs/dbraw/zinc/03/67/35/675036735.db2.gz	XAMYMNOADFVBBM-LBPRGKRZSA-N	1	1	355.232	2.163	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1F	ZINC000573284218	671103194	/nfs/dbraw/zinc/10/31/94/671103194.db2.gz	QFNKXOFJLYHXMA-SECBINFHSA-N	1	1	358.211	2.251	20	30		FEEDMO
C=CCOCC[N@H+]1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1	ZINC000575818730	671323565	/nfs/dbraw/zinc/32/35/65/671323565.db2.gz	XWOPKGSAXKXVMO-KRWDZBQOSA-N	1	1	350.484	2.046	20	30		FEEDMO
C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2COC[C@H]2O)cc1OC	ZINC000576789098	671394502	/nfs/dbraw/zinc/39/45/02/671394502.db2.gz	BHHGGGFWXWBAON-ZIAGYGMSSA-N	1	1	372.259	2.214	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(CC#N)cc1)c1ccccc1	ZINC000580949104	671849645	/nfs/dbraw/zinc/84/96/45/671849645.db2.gz	BWCJJFLBZBNXPX-IBGZPJMESA-N	1	1	357.479	2.475	20	30		FEEDMO
COc1ncc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1Cl	ZINC000582236617	671981005	/nfs/dbraw/zinc/98/10/05/671981005.db2.gz	FNGJMPUDRNSPRJ-UHFFFAOYSA-N	1	1	365.842	2.179	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2cc(Br)ccc2F)CC1	ZINC000125846975	672017336	/nfs/dbraw/zinc/01/73/36/672017336.db2.gz	SJLUXOMBFHTJCH-UHFFFAOYSA-N	1	1	353.235	2.298	20	30		FEEDMO
CSC[C@@H]1CCC[N@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000131004658	672082722	/nfs/dbraw/zinc/08/27/22/672082722.db2.gz	OGRGGXCEAVNBGZ-INIZCTEOSA-N	1	1	358.467	2.107	20	30		FEEDMO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCS[C@H]2COCC[C@@H]21	ZINC000131138958	672084466	/nfs/dbraw/zinc/08/44/66/672084466.db2.gz	MTVJVEMVRVQEKT-IRXDYDNUSA-N	1	1	355.467	2.289	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000131403861	672087834	/nfs/dbraw/zinc/08/78/34/672087834.db2.gz	RSSTXRVOLDPSGO-HNNXBMFYSA-N	1	1	352.479	2.128	20	30		FEEDMO
CN(C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)CC1(C#N)CCC1	ZINC000584511090	672194990	/nfs/dbraw/zinc/19/49/90/672194990.db2.gz	LPVCLZJEDKDZRF-UHFFFAOYSA-N	1	1	367.437	2.359	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000174824082	672363865	/nfs/dbraw/zinc/36/38/65/672363865.db2.gz	KFSIIHIAIYBJRL-UHFFFAOYSA-N	1	1	352.479	2.080	20	30		FEEDMO
C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1	ZINC000179210368	672399946	/nfs/dbraw/zinc/39/99/46/672399946.db2.gz	ZOKZEPCUAGKFQZ-HZPDHXFCSA-N	1	1	351.491	2.400	20	30		FEEDMO
N#Cc1ccc(OC2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)c(F)c1	ZINC000586783665	672434582	/nfs/dbraw/zinc/43/45/82/672434582.db2.gz	YFKUGWFEOIHOMZ-AWEZNQCLSA-N	1	1	366.458	2.365	20	30		FEEDMO
Cc1nsc(N2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)c1C#N	ZINC000589287532	672519997	/nfs/dbraw/zinc/51/99/97/672519997.db2.gz	DRWLFVBEZSXOIJ-MRXNPFEDSA-N	1	1	350.488	2.379	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1	ZINC000589309742	672521296	/nfs/dbraw/zinc/52/12/96/672521296.db2.gz	FQAVLTFGLLFRPS-IRXDYDNUSA-N	1	1	360.845	2.289	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1	ZINC000590226859	672566751	/nfs/dbraw/zinc/56/67/51/672566751.db2.gz	VVPGMBKBDPBIDP-LBPRGKRZSA-N	1	1	362.499	2.314	20	30		FEEDMO
N#Cc1cc(Br)cnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000590684569	672601415	/nfs/dbraw/zinc/60/14/15/672601415.db2.gz	UIHWTCZHXSMGAP-AWEZNQCLSA-N	1	1	351.248	2.017	20	30		FEEDMO
CC(C)N([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)CCC#N	ZINC000592085396	672751688	/nfs/dbraw/zinc/75/16/88/672751688.db2.gz	ZNMMUSPVGALNJR-SFHVURJKSA-N	1	1	364.515	2.062	20	30		FEEDMO
C#CCOc1ccc(Br)cc1C[NH2+]C[C@H](O)C(F)(F)F	ZINC000219458899	672790976	/nfs/dbraw/zinc/79/09/76/672790976.db2.gz	XCSROAVKIXKBFI-LBPRGKRZSA-N	1	1	352.150	2.474	20	30		FEEDMO
C[NH+]=C(NCC1(N2CCSCC2)CCCC1)N1CC[C@@]2(CCOC2)C1	ZINC000262024246	672907894	/nfs/dbraw/zinc/90/78/94/672907894.db2.gz	ZIECVVUQDSNFEG-GOSISDBHSA-N	1	1	366.575	2.036	20	30		FEEDMO
C[C@H](CNC(=O)Cc1ccc(Br)cc1C#N)[N@@H+](C)C1CC1	ZINC000593448629	672924819	/nfs/dbraw/zinc/92/48/19/672924819.db2.gz	SQEUEUFSIMBBCT-LLVKDONJSA-N	1	1	350.260	2.462	20	30		FEEDMO
CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1	ZINC000328927810	673070059	/nfs/dbraw/zinc/07/00/59/673070059.db2.gz	XJMDNHXWCJREQI-ZDUSSCGKSA-N	1	1	371.528	2.322	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCCC2)C1	ZINC000328927810	673070061	/nfs/dbraw/zinc/07/00/61/673070061.db2.gz	XJMDNHXWCJREQI-ZDUSSCGKSA-N	1	1	371.528	2.322	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2csc(-c3nc[nH]n3)n2)C[C@H](C)O1	ZINC000329513106	673078468	/nfs/dbraw/zinc/07/84/68/673078468.db2.gz	NRRNBKTVXKFTLS-PHIMTYICSA-N	1	1	364.475	2.121	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2csc(-c3nc[nH]n3)n2)C[C@H](C)O1	ZINC000329513106	673078474	/nfs/dbraw/zinc/07/84/74/673078474.db2.gz	NRRNBKTVXKFTLS-PHIMTYICSA-N	1	1	364.475	2.121	20	30		FEEDMO
COCc1cccc2sc(=NC(=O)NC[C@H]3C[N@@H+](C)CCN3C)[nH]c21	ZINC000329601607	673080176	/nfs/dbraw/zinc/08/01/76/673080176.db2.gz	QHZCRPJXSSBUFZ-ZDUSSCGKSA-N	1	1	363.487	2.014	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCN(C(=O)OC(C)(C)C)C(C)C)CC1	ZINC000727155708	673158181	/nfs/dbraw/zinc/15/81/81/673158181.db2.gz	RKBDXSHXANVDND-UHFFFAOYSA-N	1	1	351.491	2.190	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1	ZINC000594854577	673165672	/nfs/dbraw/zinc/16/56/72/673165672.db2.gz	RHFYWDFWHLENCQ-HNNXBMFYSA-N	1	1	351.447	2.383	20	30		FEEDMO
CCN(C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)[C@H]1CC[N@@H+](C)C1	ZINC000595110171	673194598	/nfs/dbraw/zinc/19/45/98/673194598.db2.gz	ICJDSXAQQMCJRJ-LBPRGKRZSA-N	1	1	362.499	2.408	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cc1	ZINC000595290075	673216954	/nfs/dbraw/zinc/21/69/54/673216954.db2.gz	HKYRRRLXOUSWLG-FGTMMUONSA-N	1	1	359.495	2.301	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1	ZINC000595397436	673242336	/nfs/dbraw/zinc/24/23/36/673242336.db2.gz	WOZJJZAXKJJGKP-LJQANCHMSA-N	1	1	355.463	2.252	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)c1	ZINC000595397436	673242338	/nfs/dbraw/zinc/24/23/38/673242338.db2.gz	WOZJJZAXKJJGKP-LJQANCHMSA-N	1	1	355.463	2.252	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@@H](O)CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000595463983	673254271	/nfs/dbraw/zinc/25/42/71/673254271.db2.gz	FCWGSLYBXKOITO-RTBURBONSA-N	1	1	364.921	2.223	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C	ZINC000730285485	673269083	/nfs/dbraw/zinc/26/90/83/673269083.db2.gz	UBHPKNZSGJZCPP-INIZCTEOSA-N	1	1	351.491	2.236	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C	ZINC000730285485	673269086	/nfs/dbraw/zinc/26/90/86/673269086.db2.gz	UBHPKNZSGJZCPP-INIZCTEOSA-N	1	1	351.491	2.236	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1	ZINC000595628925	673275903	/nfs/dbraw/zinc/27/59/03/673275903.db2.gz	LMZBMLRPSBQCNU-MCIONIFRSA-N	1	1	362.392	2.249	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1	ZINC000595628925	673275904	/nfs/dbraw/zinc/27/59/04/673275904.db2.gz	LMZBMLRPSBQCNU-MCIONIFRSA-N	1	1	362.392	2.249	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC(F)(F)[C@H](CO)C1	ZINC000463228209	673301990	/nfs/dbraw/zinc/30/19/90/673301990.db2.gz	AIXUSGWIDRNCGE-DGNOSDGRSA-N	1	1	357.445	2.255	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC(F)(F)[C@H](CO)C1	ZINC000463228209	673301992	/nfs/dbraw/zinc/30/19/92/673301992.db2.gz	AIXUSGWIDRNCGE-DGNOSDGRSA-N	1	1	357.445	2.255	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1Cl	ZINC000595828942	673328818	/nfs/dbraw/zinc/32/88/18/673328818.db2.gz	NUUCEHAYDBUOBS-ZDUSSCGKSA-N	1	1	360.845	2.094	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CN3CCCC3=O)C2)cc1Cl	ZINC000595828942	673328820	/nfs/dbraw/zinc/32/88/20/673328820.db2.gz	NUUCEHAYDBUOBS-ZDUSSCGKSA-N	1	1	360.845	2.094	20	30		FEEDMO
N#Cc1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(Br)c1	ZINC000596537847	673392467	/nfs/dbraw/zinc/39/24/67/673392467.db2.gz	IIJWAJRTOUKRAW-AWEZNQCLSA-N	1	1	350.260	2.356	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599259748	673649840	/nfs/dbraw/zinc/64/98/40/673649840.db2.gz	VNGLKOJEPPJKPJ-INIZCTEOSA-N	1	1	365.861	2.282	20	30		FEEDMO
C[N@H+](CC(=O)Nc1cccc(Cl)c1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599259748	673649844	/nfs/dbraw/zinc/64/98/44/673649844.db2.gz	VNGLKOJEPPJKPJ-INIZCTEOSA-N	1	1	365.861	2.282	20	30		FEEDMO
CCc1ccc([C@@H](CO)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000543842810	673674038	/nfs/dbraw/zinc/67/40/38/673674038.db2.gz	MOCCOKAUPKEDJM-LJQANCHMSA-N	1	1	358.463	2.218	20	30		FEEDMO
C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599451105	673677099	/nfs/dbraw/zinc/67/70/99/673677099.db2.gz	ARFAPPXDXVNXOV-OWCLPIDISA-N	1	1	352.475	2.252	20	30		FEEDMO
C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599451105	673677101	/nfs/dbraw/zinc/67/71/01/673677101.db2.gz	ARFAPPXDXVNXOV-OWCLPIDISA-N	1	1	352.475	2.252	20	30		FEEDMO
C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000599530133	673688843	/nfs/dbraw/zinc/68/88/43/673688843.db2.gz	UERLQVHDOPWLST-SJORKVTESA-N	1	1	358.511	2.355	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000599597320	673695794	/nfs/dbraw/zinc/69/57/94/673695794.db2.gz	SGGSVOQBGRVYTN-SPYBWZPUSA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000599597320	673695796	/nfs/dbraw/zinc/69/57/96/673695796.db2.gz	SGGSVOQBGRVYTN-SPYBWZPUSA-N	1	1	351.491	2.341	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)cc1OC	ZINC000600166912	673745609	/nfs/dbraw/zinc/74/56/09/673745609.db2.gz	JSBBUNXAQAIFCG-ZIAGYGMSSA-N	1	1	369.845	2.269	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H](C(=O)OC)C2)cc1OC	ZINC000600166912	673745612	/nfs/dbraw/zinc/74/56/12/673745612.db2.gz	JSBBUNXAQAIFCG-ZIAGYGMSSA-N	1	1	369.845	2.269	20	30		FEEDMO
C[C@H](C(=O)NC1(c2ccc(C#N)cc2)CCOCC1)[NH+]1CCSCC1	ZINC000600478873	673772382	/nfs/dbraw/zinc/77/23/82/673772382.db2.gz	UGJIAIOCYVHAOX-OAHLLOKOSA-N	1	1	359.495	2.117	20	30		FEEDMO
CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000601446110	673863993	/nfs/dbraw/zinc/86/39/93/673863993.db2.gz	SBOKLAHODWUGDB-OAHLLOKOSA-N	1	1	373.400	2.292	20	30		FEEDMO
CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1	ZINC000602894032	673913218	/nfs/dbraw/zinc/91/32/18/673913218.db2.gz	XEOMODKLUOLNFN-HNNXBMFYSA-N	1	1	354.376	2.455	20	30		FEEDMO
CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1	ZINC000602894032	673913219	/nfs/dbraw/zinc/91/32/19/673913219.db2.gz	XEOMODKLUOLNFN-HNNXBMFYSA-N	1	1	354.376	2.455	20	30		FEEDMO
CN(C)c1cc(NC(=O)N2CCN(c3ccsc3C#N)CC2)cc[nH+]1	ZINC000603141080	673918168	/nfs/dbraw/zinc/91/81/68/673918168.db2.gz	AXWRWIOAIOOPBP-UHFFFAOYSA-N	1	1	356.455	2.435	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCCNc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603283649	673921970	/nfs/dbraw/zinc/92/19/70/673921970.db2.gz	LKMLNYORNLXOPG-HNNXBMFYSA-N	1	1	364.515	2.413	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)CCc1ccc(Br)cc1OC	ZINC000818584237	675226085	/nfs/dbraw/zinc/22/60/85/675226085.db2.gz	JEWWOWHLRQKDCE-UHFFFAOYSA-N	1	1	367.287	2.462	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1sccc1NC(=O)c1ccncc1	ZINC000818606251	675228246	/nfs/dbraw/zinc/22/82/46/675228246.db2.gz	HIOFCYZSAFDQHW-UHFFFAOYSA-N	1	1	356.451	2.080	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1	ZINC000818615629	675228889	/nfs/dbraw/zinc/22/88/89/675228889.db2.gz	SNOJXPQHLFPBGM-UHFFFAOYSA-N	1	1	355.360	2.349	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1	ZINC000819257301	675274742	/nfs/dbraw/zinc/27/47/42/675274742.db2.gz	BVFKGXZFRJMSPI-OAHLLOKOSA-N	1	1	352.479	2.128	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cc(Br)cnc1C1CC1	ZINC000820688459	675379126	/nfs/dbraw/zinc/37/91/26/675379126.db2.gz	SFBWYZYUKXPTHJ-UHFFFAOYSA-N	1	1	350.260	2.406	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)cc1	ZINC000823533522	675558876	/nfs/dbraw/zinc/55/88/76/675558876.db2.gz	JWYGGDZKWAAWNO-MRXNPFEDSA-N	1	1	366.483	2.182	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2ccc(Br)cc2F)CC1	ZINC000825078091	675635916	/nfs/dbraw/zinc/63/59/16/675635916.db2.gz	STCBZVOJMAGWBC-UHFFFAOYSA-N	1	1	353.235	2.298	20	30		FEEDMO
COCC(=O)NC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1	ZINC000617194795	676274347	/nfs/dbraw/zinc/27/43/47/676274347.db2.gz	XLUDXTSPUKPJJK-UHFFFAOYSA-N	1	1	366.259	2.048	20	30		FEEDMO
C=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)C[N@H+](C)CCC)c1	ZINC000620625946	676423322	/nfs/dbraw/zinc/42/33/22/676423322.db2.gz	FQSFGGYIPXVDFP-UHFFFAOYSA-N	1	1	367.515	2.001	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000620634174	676423543	/nfs/dbraw/zinc/42/35/43/676423543.db2.gz	JNYVTBPULGUFQB-HZPDHXFCSA-N	1	1	351.516	2.134	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[NH2+][C@@H](CO)c2ccnn2C)cc1OC	ZINC000623547022	676540252	/nfs/dbraw/zinc/54/02/52/676540252.db2.gz	DULHATYPIBYWGO-AWEZNQCLSA-N	1	1	351.834	2.470	20	30		FEEDMO
C=CCn1c(-c2cn[nH]c2)nnc1N1CC[NH+](Cc2cccs2)CC1	ZINC000624854316	676598715	/nfs/dbraw/zinc/59/87/15/676598715.db2.gz	WVRRRTLUUAHDSP-UHFFFAOYSA-N	1	1	355.471	2.238	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CC[C@H](Oc3cncc(Br)c3)C2)C1=O	ZINC000639776678	677166275	/nfs/dbraw/zinc/16/62/75/677166275.db2.gz	ORMGKULMOIKTCP-ZFWWWQNUSA-N	1	1	366.259	2.084	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)C1=O	ZINC000639776678	677166276	/nfs/dbraw/zinc/16/62/76/677166276.db2.gz	ORMGKULMOIKTCP-ZFWWWQNUSA-N	1	1	366.259	2.084	20	30		FEEDMO
C=CCCCCCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1	ZINC000838592482	680705118	/nfs/dbraw/zinc/70/51/18/680705118.db2.gz	SOINKBYTAIFNTC-UHFFFAOYSA-N	1	1	353.507	2.304	20	30		FEEDMO
C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000662079780	678574645	/nfs/dbraw/zinc/57/46/45/678574645.db2.gz	MZQBAIXGHNZCLG-IYBDPMFKSA-N	1	1	350.484	2.499	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000669322350	679229037	/nfs/dbraw/zinc/22/90/37/679229037.db2.gz	PYSKYVVFTHDXHJ-HOTGVXAUSA-N	1	1	363.531	2.333	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCSC[C@H]1C	ZINC000669335413	679229788	/nfs/dbraw/zinc/22/97/88/679229788.db2.gz	MOARVOLXHHHRDU-OAGGEKHMSA-N	1	1	363.531	2.332	20	30		FEEDMO
CC(C)(C)NS(=O)(=O)c1ccccc1N=NC1CC[N@H+]2CCC[C@H]12	ZINC000765572551	680846834	/nfs/dbraw/zinc/84/68/34/680846834.db2.gz	PRUDVEGHGJIBHG-OAHLLOKOSA-N	1	1	350.488	2.399	20	30		FEEDMO
C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@@H]12	ZINC000991383720	680079765	/nfs/dbraw/zinc/07/97/65/680079765.db2.gz	IYHIUPLWKUXEAU-NYTXWWLZSA-N	1	1	362.392	2.022	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]21	ZINC000978166843	680170452	/nfs/dbraw/zinc/17/04/52/680170452.db2.gz	KRBTWLHTKCUCNB-MTSZKFMLSA-N	1	1	354.441	2.307	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2snnc2C)C1	ZINC001023375633	680257681	/nfs/dbraw/zinc/25/76/81/680257681.db2.gz	PUKRJLNYFUGJTG-OAGGEKHMSA-N	1	1	364.515	2.156	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2snnc2C)C1	ZINC001023375633	680257684	/nfs/dbraw/zinc/25/76/84/680257684.db2.gz	PUKRJLNYFUGJTG-OAGGEKHMSA-N	1	1	364.515	2.156	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](CC[C@H]2CCCO2)CC1	ZINC000982135066	680270537	/nfs/dbraw/zinc/27/05/37/680270537.db2.gz	PIXGWSFJRGPKEQ-QYZOEREBSA-N	1	1	350.503	2.461	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@H]2CCCOC2)CC1	ZINC000982134882	680270697	/nfs/dbraw/zinc/27/06/97/680270697.db2.gz	LHTCUYVUYPBKMT-QYZOEREBSA-N	1	1	350.503	2.319	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@@H](C)OC)C[C@]2(C)C1	ZINC000982642664	680283760	/nfs/dbraw/zinc/28/37/60/680283760.db2.gz	SLSBOLAKBGAODC-QQBOBMDFSA-N	1	1	350.503	2.173	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C)s1	ZINC001025111629	680313813	/nfs/dbraw/zinc/31/38/13/680313813.db2.gz	JGJVCVPHCFSZAF-ZOBUZTSGSA-N	1	1	364.515	2.298	20	30		FEEDMO
COc1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cc(Br)c1O	ZINC000753941339	680325212	/nfs/dbraw/zinc/32/52/12/680325212.db2.gz	YVDXEFYVCCPFFU-RYUDHWBXSA-N	1	1	367.247	2.357	20	30		FEEDMO
Brc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc2c1OCO2	ZINC000753937795	680325486	/nfs/dbraw/zinc/32/54/86/680325486.db2.gz	ZZXJGTGGQVOUMN-VXGBXAGGSA-N	1	1	365.231	2.372	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nncs2)C(C)(C)C1	ZINC000996392643	680330966	/nfs/dbraw/zinc/33/09/66/680330966.db2.gz	GUNJMGLBEIBBTL-DZKIICNBSA-N	1	1	364.515	2.236	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CCCC3(F)F)C[C@H]21	ZINC001026056804	680340796	/nfs/dbraw/zinc/34/07/96/680340796.db2.gz	CJHVMTSEEZOPFD-QROFKTNTSA-N	1	1	354.441	2.449	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2	ZINC000998069342	680374397	/nfs/dbraw/zinc/37/43/97/680374397.db2.gz	BDGBCUJHAMKEJD-UGUYLWEFSA-N	1	1	367.921	2.498	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1	ZINC001028810087	680382938	/nfs/dbraw/zinc/38/29/38/680382938.db2.gz	WLZLXACWQQVOGH-LBTNJELSSA-N	1	1	350.409	2.494	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1	ZINC001028810087	680382943	/nfs/dbraw/zinc/38/29/43/680382943.db2.gz	WLZLXACWQQVOGH-LBTNJELSSA-N	1	1	350.409	2.494	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2Cl)C1	ZINC001032831342	680415517	/nfs/dbraw/zinc/41/55/17/680415517.db2.gz	NIYLZVGJFMZLQH-NZPGVSJUSA-N	1	1	364.873	2.155	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2Cl)C1	ZINC001032831342	680415519	/nfs/dbraw/zinc/41/55/19/680415519.db2.gz	NIYLZVGJFMZLQH-NZPGVSJUSA-N	1	1	364.873	2.155	20	30		FEEDMO
CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1	ZINC001033163940	680419659	/nfs/dbraw/zinc/41/96/59/680419659.db2.gz	WCZIHDLFXKNRRQ-DAXOMENPSA-N	1	1	355.467	2.179	20	30		FEEDMO
CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC001033163940	680419660	/nfs/dbraw/zinc/41/96/60/680419660.db2.gz	WCZIHDLFXKNRRQ-DAXOMENPSA-N	1	1	355.467	2.179	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(OC(F)F)c(OC)c1	ZINC000836199429	680434664	/nfs/dbraw/zinc/43/46/64/680434664.db2.gz	FNDQWYXRHWVKDF-UHFFFAOYSA-N	1	1	355.385	2.051	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](Cc2cc(OC)ns2)C1	ZINC001034404984	680434857	/nfs/dbraw/zinc/43/48/57/680434857.db2.gz	XBCDVNSRKKQMAN-IMJJTQAJSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](Cc2cc(OC)ns2)C1	ZINC001034404984	680434860	/nfs/dbraw/zinc/43/48/60/680434860.db2.gz	XBCDVNSRKKQMAN-IMJJTQAJSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2snnc2C)C1	ZINC001034440391	680436120	/nfs/dbraw/zinc/43/61/20/680436120.db2.gz	VMHVQQZDECMJEV-VYDXJSESSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2snnc2C)C1	ZINC001034440391	680436122	/nfs/dbraw/zinc/43/61/22/680436122.db2.gz	VMHVQQZDECMJEV-VYDXJSESSA-N	1	1	364.515	2.298	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1	ZINC000836488210	680476200	/nfs/dbraw/zinc/47/62/00/680476200.db2.gz	IWXBRJDWNKAZCR-UHFFFAOYSA-N	1	1	359.314	2.468	20	30		FEEDMO
C=C(Br)C[NH+]1CCC2(CCN(C(=O)[C@]34C[C@H]3COC4)C2)CC1	ZINC001040707431	680484072	/nfs/dbraw/zinc/48/40/72/680484072.db2.gz	BOFOHYSUHOLYPS-YOEHRIQHSA-N	1	1	369.303	2.246	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3cnc(C)s3)C2)C1	ZINC001041695895	680508655	/nfs/dbraw/zinc/50/86/55/680508655.db2.gz	GYGRPJWQXGJZMM-ZIFCJYIRSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2	ZINC001006289893	680601575	/nfs/dbraw/zinc/60/15/75/680601575.db2.gz	XPHWSLMURUTJSN-MIGQKNRLSA-N	1	1	367.921	2.498	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)C2	ZINC001045939172	680641971	/nfs/dbraw/zinc/64/19/71/680641971.db2.gz	XCZBFLIFXNUOET-IDHHARJASA-N	1	1	367.921	2.358	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)C1	ZINC001046066765	680643734	/nfs/dbraw/zinc/64/37/34/680643734.db2.gz	IIDARURKWVQSMN-BRWVUGGUSA-N	1	1	363.889	2.354	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)C1	ZINC001046066765	680643737	/nfs/dbraw/zinc/64/37/37/680643737.db2.gz	IIDARURKWVQSMN-BRWVUGGUSA-N	1	1	363.889	2.354	20	30		FEEDMO
CCCCCCCCCNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1	ZINC000841658537	680904976	/nfs/dbraw/zinc/90/49/76/680904976.db2.gz	AWHVAVKZPHPTOP-QGZVFWFLSA-N	1	1	352.523	2.343	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cc(O)ccc2Br)CC1	ZINC000769027001	680968357	/nfs/dbraw/zinc/96/83/57/680968357.db2.gz	YVUKFGLSOXPUOB-UHFFFAOYSA-N	1	1	351.244	2.116	20	30		FEEDMO
FC(F)C(Cc1ccccc1)=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000769567412	680987261	/nfs/dbraw/zinc/98/72/61/680987261.db2.gz	PRLKRBWQPQDWAK-UHFFFAOYSA-N	1	1	370.469	2.037	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@H](O)c1cccc(C#N)c1	ZINC000844365538	681054201	/nfs/dbraw/zinc/05/42/01/681054201.db2.gz	CEARTBXMWZRGOD-INIZCTEOSA-N	1	1	354.435	2.485	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C	ZINC000844402645	681056990	/nfs/dbraw/zinc/05/69/90/681056990.db2.gz	RPVQUPPEEWQMPU-HZPDHXFCSA-N	1	1	351.491	2.141	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(c3nc(Cl)c(C#N)s3)[C@@H]2C)C1	ZINC001051014736	681060009	/nfs/dbraw/zinc/06/00/09/681060009.db2.gz	CMKUMUMXZRQSAM-UTUOFQBUSA-N	1	1	367.906	2.093	20	30		FEEDMO
Cc1nsc(NCC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)c1C#N	ZINC001053386142	681096806	/nfs/dbraw/zinc/09/68/06/681096806.db2.gz	FUBUFSPAKOVRLZ-BPLDGKMQSA-N	1	1	361.515	2.171	20	30		FEEDMO
C[C@H]1CC(N=Nc2ccccc2S(N)(=O)=O)C[N@H+]1Cc1ccccc1	ZINC000773120781	681126429	/nfs/dbraw/zinc/12/64/29/681126429.db2.gz	JOIZBNMCHQURDU-AWEZNQCLSA-N	1	1	358.467	2.396	20	30		FEEDMO
OCC1(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)COC1	ZINC000932940007	681331386	/nfs/dbraw/zinc/33/13/86/681331386.db2.gz	ADPOYSGREBCWGM-OCAPTIKFSA-N	1	1	369.252	2.098	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@H]1CCCO1	ZINC000775785995	681335146	/nfs/dbraw/zinc/33/51/46/681335146.db2.gz	UIPOZEWNFZKDTB-HZPDHXFCSA-N	1	1	352.381	2.017	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CCCO1	ZINC000775793618	681335895	/nfs/dbraw/zinc/33/58/95/681335895.db2.gz	VZBAHVBDIBXSGN-UKRRQHHQSA-N	1	1	364.829	2.210	20	30		FEEDMO
C[N@H+]1CCC[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000847448359	681380771	/nfs/dbraw/zinc/38/07/71/681380771.db2.gz	OZMKPHQHJUQQCW-HUUCEWRRSA-N	1	1	352.479	2.174	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933712636	681456105	/nfs/dbraw/zinc/45/61/05/681456105.db2.gz	UABWWZLKNOWBHF-VXGBXAGGSA-N	1	1	355.364	2.045	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933712636	681456109	/nfs/dbraw/zinc/45/61/09/681456109.db2.gz	UABWWZLKNOWBHF-VXGBXAGGSA-N	1	1	355.364	2.045	20	30		FEEDMO
CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cc(C#N)cs2)cc1	ZINC000933775543	681467028	/nfs/dbraw/zinc/46/70/28/681467028.db2.gz	JMZBOSSXMHLIPR-INIZCTEOSA-N	1	1	359.451	2.450	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H](OC)c1ccccc1Br	ZINC000848142878	681479666	/nfs/dbraw/zinc/47/96/66/681479666.db2.gz	NOWHKOBUSOKNBU-OAHLLOKOSA-N	1	1	353.260	2.208	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1	ZINC000777310390	681481137	/nfs/dbraw/zinc/48/11/37/681481137.db2.gz	KHEMVIGJKHBUFD-CVEARBPZSA-N	1	1	350.459	2.321	20	30		FEEDMO
N#Cc1cc(Br)ccc1CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000934270374	681540617	/nfs/dbraw/zinc/54/06/17/681540617.db2.gz	UXIZWXSJXLSBAR-SJORKVTESA-N	1	1	364.287	2.352	20	30		FEEDMO
N#Cc1ccc(OCCC[N@@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1	ZINC000778231619	681587405	/nfs/dbraw/zinc/58/74/05/681587405.db2.gz	GBYXZCBVDYXELW-AWEZNQCLSA-N	1	1	355.360	2.328	20	30		FEEDMO
CN(C)[S@](C)(=O)=NCC1CC[NH+](CC#Cc2ccc(F)cc2)CC1	ZINC000934751035	681621368	/nfs/dbraw/zinc/62/13/68/681621368.db2.gz	GZZIANDHORVEKV-XMMPIXPASA-N	1	1	351.491	2.464	20	30		FEEDMO
FC(F)(F)CC[NH+]1CCC(=NNC(=S)NC[C@H]2CCCO2)CC1	ZINC000779759818	681750544	/nfs/dbraw/zinc/75/05/44/681750544.db2.gz	NZKSDUWTAIHIFP-GFCCVEGCSA-N	1	1	352.426	2.034	20	30		FEEDMO
C=CCSCCNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1	ZINC000849510938	681755862	/nfs/dbraw/zinc/75/58/62/681755862.db2.gz	MUKKFHKFBOOYSV-DLBZAZTESA-N	1	1	350.532	2.269	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000780868262	681880277	/nfs/dbraw/zinc/88/02/77/681880277.db2.gz	WAYRYZDNNBMRMT-LLVKDONJSA-N	1	1	372.288	2.083	20	30		FEEDMO
Cc1[nH+]cc(CNc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1C	ZINC000850303548	681882490	/nfs/dbraw/zinc/88/24/90/681882490.db2.gz	WMLNSZCQYTVOAS-LVZFUZTISA-N	1	1	361.471	2.153	20	30		FEEDMO
C[NH+]1CCN(c2ncc(C=[NH+][N-]c3ccc(C#N)c(Cl)c3)cn2)CC1	ZINC000783878604	682184074	/nfs/dbraw/zinc/18/40/74/682184074.db2.gz	YBLSHLNWVDWBIN-UHFFFAOYSA-N	1	1	355.833	2.199	20	30		FEEDMO
N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)CC3(F)CCC3)CC2)c1	ZINC000916730121	685527278	/nfs/dbraw/zinc/52/72/78/685527278.db2.gz	ATHZJLDLQLCLGS-UHFFFAOYSA-N	1	1	365.474	2.334	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)O[C@@H](C)C(=O)N1CC[NH+](CC)CC1	ZINC000784752810	682251905	/nfs/dbraw/zinc/25/19/05/682251905.db2.gz	SZZUUSPCZLOLDE-JKSUJKDBSA-N	1	1	355.479	2.053	20	30		FEEDMO
C=CCN(Cc1ccccc1F)C(=S)NCCC[NH+]1CCOCC1	ZINC000918164653	685537679	/nfs/dbraw/zinc/53/76/79/685537679.db2.gz	XMNKVYPZOSLLHS-UHFFFAOYSA-N	1	1	351.491	2.411	20	30		FEEDMO
C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1	ZINC000971706213	682367348	/nfs/dbraw/zinc/36/73/48/682367348.db2.gz	LRUJYGKJMWXXBP-BBWFWOEESA-N	1	1	367.921	2.453	20	30		FEEDMO
C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1	ZINC000971706213	682367355	/nfs/dbraw/zinc/36/73/55/682367355.db2.gz	LRUJYGKJMWXXBP-BBWFWOEESA-N	1	1	367.921	2.453	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]21	ZINC000972340447	682408116	/nfs/dbraw/zinc/40/81/16/682408116.db2.gz	VVJNJYLOPHSUAB-BZUAXINKSA-N	1	1	367.921	2.166	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1csc(Cl)c1	ZINC000787153522	682437890	/nfs/dbraw/zinc/43/78/90/682437890.db2.gz	FAPJMIVJBCTOLM-UHFFFAOYSA-N	1	1	360.936	2.312	20	30		FEEDMO
C=CCn1c(C2CC2)nn(CN2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1=S	ZINC000795700543	683082427	/nfs/dbraw/zinc/08/24/27/683082427.db2.gz	NEFJHXLNGLHZQQ-GOEBONIOSA-N	1	1	363.531	2.230	20	30		FEEDMO
CCOc1c(Cl)cc(C=NNCCC[NH+]2CCOCC2)cc1OC	ZINC000799486693	683459759	/nfs/dbraw/zinc/45/97/59/683459759.db2.gz	LHBAPJLJUQZMQX-UHFFFAOYSA-N	1	1	355.866	2.393	20	30		FEEDMO
CCOc1cc(C=NNCCC[NH+]2CCOCC2)ccc1OC(F)F	ZINC000799489364	683460383	/nfs/dbraw/zinc/46/03/83/683460383.db2.gz	UGSVCQRKZVHZBT-UHFFFAOYSA-N	1	1	357.401	2.333	20	30		FEEDMO
CCOC(=O)C(F)(F)[C@H]1CCCC(=NNCCC[NH+]2CCOCC2)C1	ZINC000799490554	683460778	/nfs/dbraw/zinc/46/07/78/683460778.db2.gz	JHGVBDCUOMGDAS-AWEZNQCLSA-N	1	1	361.433	2.043	20	30		FEEDMO
C[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000929629826	683620426	/nfs/dbraw/zinc/62/04/26/683620426.db2.gz	ULKBVXHQWFUXLX-CBAPKCEASA-N	1	1	372.256	2.030	20	30		FEEDMO
C[N@@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000929629826	683620429	/nfs/dbraw/zinc/62/04/29/683620429.db2.gz	ULKBVXHQWFUXLX-CBAPKCEASA-N	1	1	372.256	2.030	20	30		FEEDMO
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cc(C(C)=O)ccc1Cl	ZINC000922025320	683639871	/nfs/dbraw/zinc/63/98/71/683639871.db2.gz	XSRQVZBAMXNDQT-UHFFFAOYSA-N	1	1	368.886	2.261	20	30		FEEDMO
N#Cc1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)cc1Cl	ZINC000922372871	683709302	/nfs/dbraw/zinc/70/93/02/683709302.db2.gz	ACJHHAXTPQDFFF-MRXNPFEDSA-N	1	1	362.861	2.264	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCO[C@@](C)(C[NH2+]Cc2nc(C#N)cs2)C1	ZINC000922787491	683783326	/nfs/dbraw/zinc/78/33/26/683783326.db2.gz	LMZQMJICRSHIRF-INIZCTEOSA-N	1	1	352.460	2.130	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cc(F)c(Br)cc2F)CC1	ZINC000865199656	683950018	/nfs/dbraw/zinc/95/00/18/683950018.db2.gz	UFXDLYZZJOTRID-UHFFFAOYSA-N	1	1	358.186	2.445	20	30		FEEDMO
CC(C)(O)C[N@H+]1CC[C@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000865242680	683954869	/nfs/dbraw/zinc/95/48/69/683954869.db2.gz	CHWDUQQANZTXIL-ZDUSSCGKSA-N	1	1	352.891	2.343	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)C1	ZINC000865542458	683995536	/nfs/dbraw/zinc/99/55/36/683995536.db2.gz	QDGWTFZLFHEUMX-HNNXBMFYSA-N	1	1	353.392	2.188	20	30		FEEDMO
CCN(CC)C(=O)C[NH+]1CCC(Nc2nc(Cl)c(C#N)s2)CC1	ZINC000865898471	684042868	/nfs/dbraw/zinc/04/28/68/684042868.db2.gz	RSVNKIYGRYEFDZ-UHFFFAOYSA-N	1	1	355.895	2.413	20	30		FEEDMO
C=CCCSCCNC(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000923226573	684245028	/nfs/dbraw/zinc/24/50/28/684245028.db2.gz	CCALGIDRYDPJKX-YWTNHNAXSA-N	1	1	369.575	2.465	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1	ZINC000923560410	684306320	/nfs/dbraw/zinc/30/63/20/684306320.db2.gz	AJAXZMHVKUVWGK-GFCCVEGCSA-N	1	1	353.781	2.144	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1	ZINC000923560410	684306326	/nfs/dbraw/zinc/30/63/26/684306326.db2.gz	AJAXZMHVKUVWGK-GFCCVEGCSA-N	1	1	353.781	2.144	20	30		FEEDMO
COC(=O)[C@]12C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C[N@@H+](CCCC#N)C2	ZINC000931953263	684373917	/nfs/dbraw/zinc/37/39/17/684373917.db2.gz	XJNOUNGSJICLTK-IYOUNJFTSA-N	1	1	351.447	2.068	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCS[C@H](C(F)(F)F)C2)cc1	ZINC000932075015	684402113	/nfs/dbraw/zinc/40/21/13/684402113.db2.gz	KHJNPHPWSRYTJP-HIFRSBDPSA-N	1	1	360.401	2.472	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CCS[C@H](C(F)(F)F)C2)cc1	ZINC000932075015	684402117	/nfs/dbraw/zinc/40/21/17/684402117.db2.gz	KHJNPHPWSRYTJP-HIFRSBDPSA-N	1	1	360.401	2.472	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1	ZINC000932089115	684405284	/nfs/dbraw/zinc/40/52/84/684405284.db2.gz	ASUSGXQHVOBXCY-UHFFFAOYSA-N	1	1	371.335	2.269	20	30		FEEDMO
CN(CCc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12	ZINC000925167221	684534229	/nfs/dbraw/zinc/53/42/29/684534229.db2.gz	AYEKMUJXWQGAGI-QZTJIDSGSA-N	1	1	358.511	2.322	20	30		FEEDMO
C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000872664418	685000800	/nfs/dbraw/zinc/00/08/00/685000800.db2.gz	ROUCPEAGACJGDU-GJZGRUSLSA-N	1	1	373.400	2.434	20	30		FEEDMO
C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c1O	ZINC000872793705	685016508	/nfs/dbraw/zinc/01/65/08/685016508.db2.gz	CKRVTWOOHZPHSY-RDJZCZTQSA-N	1	1	365.495	2.386	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cc(OC)c(OC)cc2Cl)CC1	ZINC000876634627	686233777	/nfs/dbraw/zinc/23/37/77/686233777.db2.gz	XEASWDRZBZRABY-UHFFFAOYSA-N	1	1	350.846	2.319	20	30		FEEDMO
N#Cc1cnc(Cl)c(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1	ZINC000876926713	686296170	/nfs/dbraw/zinc/29/61/70/686296170.db2.gz	DNEZDGBCOMEOKQ-GOSISDBHSA-N	1	1	356.857	2.115	20	30		FEEDMO
COC(=O)C[C@H]1CSCC[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1	ZINC000878194513	686539076	/nfs/dbraw/zinc/53/90/76/686539076.db2.gz	XTKMPDOCFFWFKS-PKOBYXMFSA-N	1	1	360.479	2.408	20	30		FEEDMO
COC(=O)C[C@H]1CSCC[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1	ZINC000878194513	686539082	/nfs/dbraw/zinc/53/90/82/686539082.db2.gz	XTKMPDOCFFWFKS-PKOBYXMFSA-N	1	1	360.479	2.408	20	30		FEEDMO
N#CCOc1ccc(C[N@@H+](CCN2CCOCC2)[C@H]2CCSC2)cc1	ZINC000878873385	686680130	/nfs/dbraw/zinc/68/01/30/686680130.db2.gz	UDZLREPLARVRAG-SFHVURJKSA-N	1	1	361.511	2.229	20	30		FEEDMO
C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@H+](CC(=O)NCCC#N)[C@H]1C	ZINC000878880711	686682379	/nfs/dbraw/zinc/68/23/79/686682379.db2.gz	KHMXBIWKZSBUKL-ILXRZTDVSA-N	1	1	352.479	2.030	20	30		FEEDMO
C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](CC(=O)NCCC#N)[C@H]1C	ZINC000878880711	686682382	/nfs/dbraw/zinc/68/23/82/686682382.db2.gz	KHMXBIWKZSBUKL-ILXRZTDVSA-N	1	1	352.479	2.030	20	30		FEEDMO
C[NH+]1CCN(C2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)CC1	ZINC000878967317	686703279	/nfs/dbraw/zinc/70/32/79/686703279.db2.gz	QXYVJIWOELKMCI-UHFFFAOYSA-N	1	1	361.877	2.455	20	30		FEEDMO
C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@H+](C)CCc1cccc(C#N)c1	ZINC000879433945	686820357	/nfs/dbraw/zinc/82/03/57/686820357.db2.gz	KWWLEEWZKPMCGV-LBPRGKRZSA-N	1	1	356.451	2.220	20	30		FEEDMO
C[C@@H](C(=O)Nc1sccc1C(N)=O)[N@@H+](C)CCc1cccc(C#N)c1	ZINC000879433945	686820363	/nfs/dbraw/zinc/82/03/63/686820363.db2.gz	KWWLEEWZKPMCGV-LBPRGKRZSA-N	1	1	356.451	2.220	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+](CC1CC1)[C@@H](C(N)=O)C1CC1	ZINC000879489935	686835335	/nfs/dbraw/zinc/83/53/35/686835335.db2.gz	SVNAJKXGCABAGU-QGZVFWFLSA-N	1	1	360.845	2.126	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+](CC1CC1)[C@@H](C(N)=O)C1CC1	ZINC000879489935	686835342	/nfs/dbraw/zinc/83/53/42/686835342.db2.gz	SVNAJKXGCABAGU-QGZVFWFLSA-N	1	1	360.845	2.126	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1	ZINC000879576986	686861247	/nfs/dbraw/zinc/86/12/47/686861247.db2.gz	ZFHWMNLAXOVHKF-XJKCOSOUSA-N	1	1	358.511	2.461	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH2+][C@@H](COC)c1cccc(Br)c1	ZINC000879661347	686882264	/nfs/dbraw/zinc/88/22/64/686882264.db2.gz	ADLBKYVRZCTCIM-HNNXBMFYSA-N	1	1	368.275	2.488	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CF)C2)CC1	ZINC000880237358	687021244	/nfs/dbraw/zinc/02/12/44/687021244.db2.gz	VPJKDOLWCFSNIP-HOTGVXAUSA-N	1	1	364.490	2.138	20	30		FEEDMO
CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000880429617	687047699	/nfs/dbraw/zinc/04/76/99/687047699.db2.gz	IAQRVGNUNLDQBC-LSDHHAIUSA-N	1	1	363.483	2.173	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1cc(C#N)c(F)cc1F	ZINC000880712244	687077581	/nfs/dbraw/zinc/07/75/81/687077581.db2.gz	HLEFLVGWWRLKCN-UHFFFAOYSA-N	1	1	353.417	2.184	20	30		FEEDMO
CN(CCCN(C)C(=O)Nc1cc(C#N)c(F)cc1F)CC[NH+](C)C	ZINC000880712244	687077584	/nfs/dbraw/zinc/07/75/84/687077584.db2.gz	HLEFLVGWWRLKCN-UHFFFAOYSA-N	1	1	353.417	2.184	20	30		FEEDMO
C=CCCc1ccc(S(=O)(=O)NCC[NH+]2CCC(OC)CC2)cc1	ZINC000881975902	687274970	/nfs/dbraw/zinc/27/49/70/687274970.db2.gz	FRLDYGRQNZKKMK-UHFFFAOYSA-N	1	1	352.500	2.194	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)c2ccc(Br)cn2)C1	ZINC000884311232	687844119	/nfs/dbraw/zinc/84/41/19/687844119.db2.gz	VFCJETRFEAZSPO-OCCSQVGLSA-N	1	1	365.275	2.302	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)c2ccc(Br)cn2)C1	ZINC000884311232	687844126	/nfs/dbraw/zinc/84/41/26/687844126.db2.gz	VFCJETRFEAZSPO-OCCSQVGLSA-N	1	1	365.275	2.302	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	ZINC000504252386	688423063	/nfs/dbraw/zinc/42/30/63/688423063.db2.gz	UUYIRAKJMSMPBY-OAHLLOKOSA-N	1	1	359.817	2.057	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	ZINC000504252386	688423066	/nfs/dbraw/zinc/42/30/66/688423066.db2.gz	UUYIRAKJMSMPBY-OAHLLOKOSA-N	1	1	359.817	2.057	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000887970496	688527767	/nfs/dbraw/zinc/52/77/67/688527767.db2.gz	BQBLYUBKYMZGDD-GOSISDBHSA-N	1	1	355.463	2.479	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000887970496	688527771	/nfs/dbraw/zinc/52/77/71/688527771.db2.gz	BQBLYUBKYMZGDD-GOSISDBHSA-N	1	1	355.463	2.479	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@@](C)(C#N)C2)[C@H]1c1cccs1	ZINC000893201063	689312884	/nfs/dbraw/zinc/31/28/84/689312884.db2.gz	VOQHNPXLTITIGW-HFTRVMKXSA-N	1	1	362.499	2.455	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)CSCC#N)C2)O1	ZINC000893917863	689429099	/nfs/dbraw/zinc/42/90/99/689429099.db2.gz	DKXLTOIKINRMAC-VQIMIIECSA-N	1	1	359.495	2.135	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)CSCC#N)C2)O1	ZINC000893917863	689429102	/nfs/dbraw/zinc/42/91/02/689429102.db2.gz	DKXLTOIKINRMAC-VQIMIIECSA-N	1	1	359.495	2.135	20	30		FEEDMO
C=CCCCN(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C	ZINC000894788782	689596873	/nfs/dbraw/zinc/59/68/73/689596873.db2.gz	ZDQUTFXLKFJCNL-ALOPSCKCSA-N	1	1	350.507	2.068	20	30		FEEDMO
O=C1[C@H]([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCCN1O	ZINC000895157918	689669406	/nfs/dbraw/zinc/66/94/06/689669406.db2.gz	FZTBJCSHICUPMT-CQSZACIVSA-N	1	1	354.332	2.361	20	30		FEEDMO
C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1cc(C#N)ccn1	ZINC000902953733	690823481	/nfs/dbraw/zinc/82/34/81/690823481.db2.gz	JCBOHDRQSDLBNA-CQSZACIVSA-N	1	1	356.451	2.344	20	30		FEEDMO
CCC[N@H+]1CCC[C@H](C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1	ZINC000908285523	691652070	/nfs/dbraw/zinc/65/20/70/691652070.db2.gz	SVGNWTVFKWLOPU-HNNXBMFYSA-N	1	1	361.515	2.094	20	30		FEEDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc(C#N)ccc1[N+](=O)[O-])CC2	ZINC001164647502	719310981	/nfs/dbraw/zinc/31/09/81/719310981.db2.gz	BVPASKJRJZYWRN-UHFFFAOYSA-N	1	1	369.429	2.263	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3[nH]cc(C#N)c31)C2	ZINC001164806443	720068761	/nfs/dbraw/zinc/06/87/61/720068761.db2.gz	CWKBRTPNZSWADL-OXQOHEQNSA-N	1	1	366.469	2.014	20	30		FEEDMO
N#Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1	ZINC001164725989	720380952	/nfs/dbraw/zinc/38/09/52/720380952.db2.gz	OIQILEPZNHGSLZ-HOTGVXAUSA-N	1	1	350.382	2.110	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5c(C#N)c[nH]c5n4)C[C@H]3C2)cn1	ZINC001164773298	721148853	/nfs/dbraw/zinc/14/88/53/721148853.db2.gz	YBPNVZWBYRZPEN-DOTOQJQBSA-N	1	1	361.453	2.126	20	30		FEEDMO
Cc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1CC#N	ZINC001164769271	721209595	/nfs/dbraw/zinc/20/95/95/721209595.db2.gz	LWTLEDPGGRLTCL-RBUKOAKNSA-N	1	1	350.470	2.148	20	30		FEEDMO
Cc1nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)ccc1CC#N	ZINC001164769269	721210627	/nfs/dbraw/zinc/21/06/27/721210627.db2.gz	LWTLEDPGGRLTCL-OALUTQOASA-N	1	1	350.470	2.148	20	30		FEEDMO
CCOC(=O)c1cc(C)nc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1C#N	ZINC001164771947	721284048	/nfs/dbraw/zinc/28/40/48/721284048.db2.gz	AQIMBLKWHHANJE-UHFFFAOYSA-N	1	1	354.454	2.361	20	30		FEEDMO
Cc1nc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1C#N	ZINC001164781763	721411568	/nfs/dbraw/zinc/41/15/68/721411568.db2.gz	DTSIAHFGXCVWKG-TXEJJXNPSA-N	1	1	360.874	2.335	20	30		FEEDMO
Cc1nc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1C#N	ZINC001164781763	721411570	/nfs/dbraw/zinc/41/15/70/721411570.db2.gz	DTSIAHFGXCVWKG-TXEJJXNPSA-N	1	1	360.874	2.335	20	30		FEEDMO
Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(C#N)n1	ZINC001164903348	721538716	/nfs/dbraw/zinc/53/87/16/721538716.db2.gz	CDFBZGAKXSZZTQ-WBVHZDCISA-N	1	1	353.401	2.138	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(F)c2C#N)[C@H]2CCCO[C@@H]12	ZINC001164808777	721562566	/nfs/dbraw/zinc/56/25/66/721562566.db2.gz	VPPSBXORABSBQS-IPMKNSEASA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(F)c2C#N)[C@H]2CCCO[C@@H]12	ZINC001164808777	721562570	/nfs/dbraw/zinc/56/25/70/721562570.db2.gz	VPPSBXORABSBQS-IPMKNSEASA-N	1	1	367.428	2.356	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccncc2)ccc1C#N	ZINC001164929182	721876977	/nfs/dbraw/zinc/87/69/77/721876977.db2.gz	AHWQXKWMMDPICI-WOJBJXKFSA-N	1	1	362.481	2.230	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(-c2ccncc2)ccc1C#N	ZINC001164929182	721876978	/nfs/dbraw/zinc/87/69/78/721876978.db2.gz	AHWQXKWMMDPICI-WOJBJXKFSA-N	1	1	362.481	2.230	20	30		FEEDMO
CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000521557033	821291627	/nfs/dbraw/zinc/29/16/27/821291627.db2.gz	WJAWKMRVWYIUGP-OAHLLOKOSA-N	1	1	353.430	2.005	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C	ZINC000521557033	821291640	/nfs/dbraw/zinc/29/16/40/821291640.db2.gz	WJAWKMRVWYIUGP-OAHLLOKOSA-N	1	1	353.430	2.005	20	30		FEEDMO
COc1ccccc1[C@@H](CNC(=O)COc1ccccc1C#N)[NH+](C)C	ZINC000023691869	539718461	/nfs/dbraw/zinc/71/84/61/539718461.db2.gz	DPTKQLGAEDPLKW-QGZVFWFLSA-N	1	1	353.422	2.365	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccsc3)CC2)cc1	ZINC000025700448	539766373	/nfs/dbraw/zinc/76/63/73/539766373.db2.gz	KDKJDRXZPMMWBL-IBGZPJMESA-N	1	1	371.506	2.372	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000026062207	539775949	/nfs/dbraw/zinc/77/59/49/539775949.db2.gz	XXQIQYMXIOBZNX-SJLPKXTDSA-N	1	1	359.470	2.189	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COc2ccc(C#N)cc2Cl)C1	ZINC000028141955	539826999	/nfs/dbraw/zinc/82/69/99/539826999.db2.gz	HLGBBQJMIVMMSK-HNNXBMFYSA-N	1	1	365.861	2.063	20	30		FEEDMO
CNC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1	ZINC000029929933	539869091	/nfs/dbraw/zinc/86/90/91/539869091.db2.gz	OCPLPXFJVGESCI-AWEZNQCLSA-N	1	1	350.422	2.377	20	30		FEEDMO
CNC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1	ZINC000029929933	539869093	/nfs/dbraw/zinc/86/90/93/539869093.db2.gz	OCPLPXFJVGESCI-AWEZNQCLSA-N	1	1	350.422	2.377	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCOC[C@@H]3CCCO3)CC2)cc1	ZINC000076273801	542253574	/nfs/dbraw/zinc/25/35/74/542253574.db2.gz	KJQVAYKHCNTGDE-FQEVSTJZSA-N	1	1	371.481	2.178	20	30		FEEDMO
C[C@@H](Cn1cccn1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000046465560	540258653	/nfs/dbraw/zinc/25/86/53/540258653.db2.gz	PQNZOFRKRPAUFY-KRWDZBQOSA-N	1	1	366.469	2.061	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1	ZINC000046754013	540269421	/nfs/dbraw/zinc/26/94/21/540269421.db2.gz	RMQVKIQNIFIWSL-KRWDZBQOSA-N	1	1	357.502	2.336	20	30		FEEDMO
CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)c1	ZINC000046529655	540261411	/nfs/dbraw/zinc/26/14/11/540261411.db2.gz	ODIKNLQEDJEPTF-AWEZNQCLSA-N	1	1	350.422	2.377	20	30		FEEDMO
CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c1	ZINC000046529655	540261416	/nfs/dbraw/zinc/26/14/16/540261416.db2.gz	ODIKNLQEDJEPTF-AWEZNQCLSA-N	1	1	350.422	2.377	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1	ZINC000051855481	540446586	/nfs/dbraw/zinc/44/65/86/540446586.db2.gz	WNPDSMMTTAQWGZ-CVEARBPZSA-N	1	1	354.458	2.268	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@@H+](C)C(C)C	ZINC000054851289	540615058	/nfs/dbraw/zinc/61/50/58/540615058.db2.gz	DAFAOJJLKFMHCF-UHFFFAOYSA-N	1	1	360.458	2.130	20	30		FEEDMO
COc1cc(C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)ccc1OC(F)F	ZINC000057597536	540803719	/nfs/dbraw/zinc/80/37/19/540803719.db2.gz	MXIXUGUFGSYBPH-GFCCVEGCSA-N	1	1	355.385	2.489	20	30		FEEDMO
COc1cc(C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)ccc1OC(F)F	ZINC000057597536	540803721	/nfs/dbraw/zinc/80/37/21/540803721.db2.gz	MXIXUGUFGSYBPH-GFCCVEGCSA-N	1	1	355.385	2.489	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](CCOCCOc3ccccc3)CC2)nc1	ZINC000060480487	541113594	/nfs/dbraw/zinc/11/35/94/541113594.db2.gz	BHHQXVKHRWAFRF-UHFFFAOYSA-N	1	1	352.438	2.171	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1	ZINC000060844993	541122812	/nfs/dbraw/zinc/12/28/12/541122812.db2.gz	DKPYFOIWBGCIBB-ZIAGYGMSSA-N	1	1	358.486	2.033	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N3CCC(C#N)CC3)cc2)CC1	ZINC000060990233	541124294	/nfs/dbraw/zinc/12/42/94/541124294.db2.gz	YSXRMPCUNZBLII-UHFFFAOYSA-N	1	1	369.513	2.269	20	30		FEEDMO
N#Cc1ccc(C[N@@H+](CCN2C(=O)CNC2=O)Cc2cccc(F)c2)cc1	ZINC000064248222	541196948	/nfs/dbraw/zinc/19/69/48/541196948.db2.gz	KOJTVTFGOWAQOX-UHFFFAOYSA-N	1	1	366.396	2.251	20	30		FEEDMO
N#Cc1ccc(C[N@H+](CCN2C(=O)CNC2=O)Cc2cccc(F)c2)cc1	ZINC000064248222	541196950	/nfs/dbraw/zinc/19/69/50/541196950.db2.gz	KOJTVTFGOWAQOX-UHFFFAOYSA-N	1	1	366.396	2.251	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000066196012	541289508	/nfs/dbraw/zinc/28/95/08/541289508.db2.gz	AMTAQNYREKBWPO-HNNXBMFYSA-N	1	1	361.465	2.259	20	30		FEEDMO
N#CCNC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1	ZINC000066497849	541328170	/nfs/dbraw/zinc/32/81/70/541328170.db2.gz	XPWWDVXVIOKRLF-CYBMUJFWSA-N	1	1	359.817	2.209	20	30		FEEDMO
N#CCNC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1	ZINC000066497849	541328174	/nfs/dbraw/zinc/32/81/74/541328174.db2.gz	XPWWDVXVIOKRLF-CYBMUJFWSA-N	1	1	359.817	2.209	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000550751318	674108836	/nfs/dbraw/zinc/10/88/36/674108836.db2.gz	VVNKMMVAKBXGJV-UHFFFAOYSA-N	1	1	359.455	2.177	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1	ZINC000066877096	541384601	/nfs/dbraw/zinc/38/46/01/541384601.db2.gz	KKOFXNGDUZTWAU-MRXNPFEDSA-N	1	1	362.518	2.155	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000068046940	541541572	/nfs/dbraw/zinc/54/15/72/541541572.db2.gz	VAHYRSKFPMZBQT-SFHVURJKSA-N	1	1	368.433	2.373	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000068046940	541541577	/nfs/dbraw/zinc/54/15/77/541541577.db2.gz	VAHYRSKFPMZBQT-SFHVURJKSA-N	1	1	368.433	2.373	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1	ZINC000066474429	205365451	/nfs/dbraw/zinc/36/54/51/205365451.db2.gz	LNCQPIDYUXWXJN-YESZJQIVSA-N	1	1	350.507	2.011	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000074656377	542107614	/nfs/dbraw/zinc/10/76/14/542107614.db2.gz	HLJHQPGQSOTQBC-GOSISDBHSA-N	1	1	374.529	2.276	20	30		FEEDMO
C[C@@H](NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1cccc(C#N)c1	ZINC000074917964	542135942	/nfs/dbraw/zinc/13/59/42/542135942.db2.gz	GARCSCLKRQCRTP-VQIMIIECSA-N	1	1	355.486	2.041	20	30		FEEDMO
C[C@@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1cccc(C#N)c1	ZINC000074918307	542136012	/nfs/dbraw/zinc/13/60/12/542136012.db2.gz	MTGGVTZMRNHAOR-XLIONFOSSA-N	1	1	369.513	2.431	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000076110310	542233558	/nfs/dbraw/zinc/23/35/58/542233558.db2.gz	LFDHVNZCPWZYJG-FPOVZHCZSA-N	1	1	356.514	2.495	20	30		FEEDMO
CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC1CCN(c2ccccn2)CC1	ZINC000076108503	542234130	/nfs/dbraw/zinc/23/41/30/542234130.db2.gz	FPBXCIUTGZLCEX-OAQYLSRUSA-N	1	1	369.513	2.428	20	30		FEEDMO
C=CCCC[N@H+](C)[C@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000076736347	542319378	/nfs/dbraw/zinc/31/93/78/542319378.db2.gz	XHEYWCWPGVAPPA-GOSISDBHSA-N	1	1	359.514	2.422	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC000077466334	542385047	/nfs/dbraw/zinc/38/50/47/542385047.db2.gz	HIRFMYXFJALHGT-HUUCEWRRSA-N	1	1	361.515	2.306	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000077655504	542405787	/nfs/dbraw/zinc/40/57/87/542405787.db2.gz	UHJGPYKSRIRGIZ-QGZVFWFLSA-N	1	1	357.454	2.280	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(c3nnnn3-c3ccccc3)CC2)cc1	ZINC000078262248	542450871	/nfs/dbraw/zinc/45/08/71/542450871.db2.gz	RJYFNYOOGMMJRX-UHFFFAOYSA-N	1	1	359.437	2.246	20	30		FEEDMO
Cc1cc(C)cc(OC[C@@H](O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1	ZINC000078507549	542464496	/nfs/dbraw/zinc/46/44/96/542464496.db2.gz	SZQPQVWZTVHHKU-IBGZPJMESA-N	1	1	366.465	2.132	20	30		FEEDMO
C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C[C@H]1COc2ccccc2O1	ZINC000078778079	542481112	/nfs/dbraw/zinc/48/11/12/542481112.db2.gz	POHAJRWLJOHJDR-HKUYNNGSSA-N	1	1	368.433	2.264	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)NC2CCN(CC#N)CC2)CC[N@H+]1Cc1ccccc1	ZINC000080122533	542567050	/nfs/dbraw/zinc/56/70/50/542567050.db2.gz	NPSUCKMPMSUIGM-YLJYHZDGSA-N	1	1	369.513	2.327	20	30		FEEDMO
C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H](O)CN1CCOCC1	ZINC000083245807	542695860	/nfs/dbraw/zinc/69/58/60/542695860.db2.gz	HUSQJBOLKLRRCQ-NRFANRHFSA-N	1	1	365.477	2.350	20	30		FEEDMO
CCc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943418	542775956	/nfs/dbraw/zinc/77/59/56/542775956.db2.gz	GZRXDVKHXMIEHY-CYBMUJFWSA-N	1	1	354.458	2.318	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1Cc1ccc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cc1	ZINC000091605777	542816217	/nfs/dbraw/zinc/81/62/17/542816217.db2.gz	JWUKKMDABZQLLP-AWEZNQCLSA-N	1	1	367.453	2.074	20	30		FEEDMO
C[N@@H+](CC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CCSC1	ZINC000092034870	542839242	/nfs/dbraw/zinc/83/92/42/542839242.db2.gz	SWMUOKMFJVLFBA-CGZBRXJRSA-N	1	1	374.510	2.197	20	30		FEEDMO
CC[C@@](C)([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1nccs1	ZINC000092643086	542876321	/nfs/dbraw/zinc/87/63/21/542876321.db2.gz	YOYVQAJSIXLULR-MAUKXSAKSA-N	1	1	363.531	2.050	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3ncccn3)CC2)cc1Cl	ZINC000028844118	136153545	/nfs/dbraw/zinc/15/35/45/136153545.db2.gz	HVBRQBILKKHAMM-UHFFFAOYSA-N	1	1	370.844	2.152	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000101911345	543048709	/nfs/dbraw/zinc/04/87/09/543048709.db2.gz	NEQJESUFGWZNLM-AWEZNQCLSA-N	1	1	362.499	2.433	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1	ZINC000102101964	543060287	/nfs/dbraw/zinc/06/02/87/543060287.db2.gz	PCEULKCKXUWJTJ-GOSISDBHSA-N	1	1	365.433	2.461	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)CSc2ccc(C#N)cc2)CC1	ZINC000103206448	543097318	/nfs/dbraw/zinc/09/73/18/543097318.db2.gz	BAWRMTPZZGQLBT-INIZCTEOSA-N	1	1	360.527	2.040	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1	ZINC000103474861	543109383	/nfs/dbraw/zinc/10/93/83/543109383.db2.gz	UBZQZDKZZIXHMY-HNNXBMFYSA-N	1	1	369.469	2.341	20	30		FEEDMO
C[N@@H+](CCN1CCN(C(=O)c2ccc(C#N)cc2)CC1)Cc1ccccc1	ZINC000104437652	543131796	/nfs/dbraw/zinc/13/17/96/543131796.db2.gz	QTQYLBORGZWIDS-UHFFFAOYSA-N	1	1	362.477	2.448	20	30		FEEDMO
C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104963569	543153207	/nfs/dbraw/zinc/15/32/07/543153207.db2.gz	QKCAKAOPGKTFHT-HNAYVOBHSA-N	1	1	357.454	2.085	20	30		FEEDMO
COCC[N@@H+](C)CC[C@H](NC(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000107477154	543271456	/nfs/dbraw/zinc/27/14/56/543271456.db2.gz	FZEYNQFAZUELEY-SFHVURJKSA-N	1	1	352.438	2.393	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c(C(F)(F)F)c1	ZINC000108403992	543288932	/nfs/dbraw/zinc/28/89/32/543288932.db2.gz	MLFGPYOSKQIPOU-ZDUSSCGKSA-N	1	1	373.400	2.340	20	30		FEEDMO
CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1	ZINC000108608911	543297466	/nfs/dbraw/zinc/29/74/66/543297466.db2.gz	WXOMTVBPSZYWBS-UHFFFAOYSA-N	1	1	374.510	2.431	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2cn3ccccc3c2C#N)CC1	ZINC000109755255	543336747	/nfs/dbraw/zinc/33/67/47/543336747.db2.gz	HPGSRZVZIOBNFF-LJQANCHMSA-N	1	1	351.498	2.413	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Cc2ccc(OCC#N)cc2)C[C@H](C)O1	ZINC000110662647	543364521	/nfs/dbraw/zinc/36/45/21/543364521.db2.gz	JTNCIWOCJCSPLU-SCTDSRPQSA-N	1	1	371.481	2.232	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000111693690	543412909	/nfs/dbraw/zinc/41/29/09/543412909.db2.gz	SMEUEHLJLPGAAI-CQSZACIVSA-N	1	1	362.861	2.045	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000111693690	543412912	/nfs/dbraw/zinc/41/29/12/543412912.db2.gz	SMEUEHLJLPGAAI-CQSZACIVSA-N	1	1	362.861	2.045	20	30		FEEDMO
CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N	ZINC000118122189	543646913	/nfs/dbraw/zinc/64/69/13/543646913.db2.gz	PTBFOERHMSACMT-CQSZACIVSA-N	1	1	362.499	2.476	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1	ZINC000118129305	543647615	/nfs/dbraw/zinc/64/76/15/543647615.db2.gz	XIRXIBXUNCESFJ-KGLIPLIRSA-N	1	1	374.510	2.476	20	30		FEEDMO
Cc1n[nH]cc1CCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+]	ZINC000121464364	543694970	/nfs/dbraw/zinc/69/49/70/543694970.db2.gz	UTCOZFFSHNHLQS-UHFFFAOYSA-N	1	1	364.453	2.310	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(OCC(F)(F)F)nc1	ZINC000121481462	543695011	/nfs/dbraw/zinc/69/50/11/543695011.db2.gz	ANQDWDFYTDNGMA-UHFFFAOYSA-N	1	1	368.363	2.264	20	30		FEEDMO
CC(C)(O)[C@@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000119115893	543664241	/nfs/dbraw/zinc/66/42/41/543664241.db2.gz	QOXJVJVBBKBQCZ-INIZCTEOSA-N	1	1	368.399	2.408	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000119289311	543665996	/nfs/dbraw/zinc/66/59/96/543665996.db2.gz	UXAMDFZNEGMZDQ-PBHICJAKSA-N	1	1	356.470	2.225	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21	ZINC000119433232	543667845	/nfs/dbraw/zinc/66/78/45/543667845.db2.gz	KYPQRDFKBOSHFW-PKOBYXMFSA-N	1	1	357.502	2.289	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC(C)(C)CN1CCOCC1	ZINC000123910940	543790609	/nfs/dbraw/zinc/79/06/09/543790609.db2.gz	VCCFPTWVVVJQQX-INIZCTEOSA-N	1	1	358.486	2.175	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000123910940	543790614	/nfs/dbraw/zinc/79/06/14/543790614.db2.gz	VCCFPTWVVVJQQX-INIZCTEOSA-N	1	1	358.486	2.175	20	30		FEEDMO
C[C@H]1C[C@@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[N@H+]1C	ZINC000123663189	543775479	/nfs/dbraw/zinc/77/54/79/543775479.db2.gz	MEKLWTSBHJVAAS-YJBOKZPZSA-N	1	1	366.469	2.097	20	30		FEEDMO
Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125452653	543882784	/nfs/dbraw/zinc/88/27/84/543882784.db2.gz	VPOIYTVUVBWCHC-UHFFFAOYSA-N	1	1	360.849	2.329	20	30		FEEDMO
CCc1nnc(N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C#N)c1CC	ZINC000127021330	543968258	/nfs/dbraw/zinc/96/82/58/543968258.db2.gz	MOAUTLOVBKBASA-MRXNPFEDSA-N	1	1	356.518	2.079	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)Nc2ccc(C)cc2Br)CC1	ZINC000127263759	543981353	/nfs/dbraw/zinc/98/13/53/543981353.db2.gz	YYVHBZSKLWXCPJ-UHFFFAOYSA-N	1	1	364.287	2.337	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000128647248	544064393	/nfs/dbraw/zinc/06/43/93/544064393.db2.gz	CHYPXQQYRAJFGH-UHFFFAOYSA-N	1	1	362.430	2.074	20	30		FEEDMO
N#CCCN(Cc1cccnc1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000132089701	544218887	/nfs/dbraw/zinc/21/88/87/544218887.db2.gz	IQNUCXFJJRYDAK-HXUWFJFHSA-N	1	1	364.449	2.225	20	30		FEEDMO
N#CCCN(Cc1cccnc1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000132089701	544218890	/nfs/dbraw/zinc/21/88/90/544218890.db2.gz	IQNUCXFJJRYDAK-HXUWFJFHSA-N	1	1	364.449	2.225	20	30		FEEDMO
C=CCOc1ccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)cc1	ZINC000133121658	544257092	/nfs/dbraw/zinc/25/70/92/544257092.db2.gz	LBTUHGDZXFPPHL-UHFFFAOYSA-N	1	1	352.438	2.068	20	30		FEEDMO
C=C(C)COCCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1	ZINC000135031756	544331570	/nfs/dbraw/zinc/33/15/70/544331570.db2.gz	UTQMEGSVZHOLNW-KRWDZBQOSA-N	1	1	361.486	2.299	20	30		FEEDMO
C=C(C)COCCNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1	ZINC000135031756	544331572	/nfs/dbraw/zinc/33/15/72/544331572.db2.gz	UTQMEGSVZHOLNW-KRWDZBQOSA-N	1	1	361.486	2.299	20	30		FEEDMO
C[C@@H](C(=O)NC1CC1)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1	ZINC000135111766	544334795	/nfs/dbraw/zinc/33/47/95/544334795.db2.gz	OMNSVLZOVRAHOO-INIZCTEOSA-N	1	1	354.498	2.272	20	30		FEEDMO
CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000135345035	544343021	/nfs/dbraw/zinc/34/30/21/544343021.db2.gz	QFVMOHCLSWAJJF-MAUKXSAKSA-N	1	1	373.501	2.404	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2CC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1	ZINC000139096452	544400146	/nfs/dbraw/zinc/40/01/46/544400146.db2.gz	HAGNOHSBMYJALE-FCEWJHQRSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2CC(=O)Nc2cccc(C#N)c2)C[C@H](C)O1	ZINC000139096452	544400149	/nfs/dbraw/zinc/40/01/49/544400149.db2.gz	HAGNOHSBMYJALE-FCEWJHQRSA-N	1	1	356.470	2.070	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1	ZINC000145624455	544435293	/nfs/dbraw/zinc/43/52/93/544435293.db2.gz	UQWACMHLSCRXIB-ZXFUBFMLSA-N	1	1	357.454	2.179	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000151376386	544534227	/nfs/dbraw/zinc/53/42/27/544534227.db2.gz	MMCQNJJFIVVGQY-ICSRJNTNSA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000151376386	544534229	/nfs/dbraw/zinc/53/42/29/544534229.db2.gz	MMCQNJJFIVVGQY-ICSRJNTNSA-N	1	1	364.449	2.363	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1F)c1ccc(F)cc1	ZINC000151087211	544504215	/nfs/dbraw/zinc/50/42/15/544504215.db2.gz	NHUZGCDQFISFBH-INIZCTEOSA-N	1	1	365.405	2.418	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[N@H+]1C1CC1	ZINC000151794465	544581746	/nfs/dbraw/zinc/58/17/46/544581746.db2.gz	ALOYNEDUMLPWRP-HOCLYGCPSA-N	1	1	370.453	2.049	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1	ZINC000151866965	544590226	/nfs/dbraw/zinc/59/02/26/544590226.db2.gz	FQVRITARQINFCX-JENIJYKNSA-N	1	1	356.422	2.479	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO	ZINC000152158323	544620295	/nfs/dbraw/zinc/62/02/95/544620295.db2.gz	PFFOMGADCCHFJT-QGZVFWFLSA-N	1	1	359.470	2.069	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](C)C[NH+]1CCOCC1	ZINC000152788601	544696136	/nfs/dbraw/zinc/69/61/36/544696136.db2.gz	YWIGIRAFBXTXIY-HNNXBMFYSA-N	1	1	360.458	2.435	20	30		FEEDMO
Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1C	ZINC000153297136	544757626	/nfs/dbraw/zinc/75/76/26/544757626.db2.gz	BDRQKGLNKUXQSM-HNNXBMFYSA-N	1	1	368.485	2.222	20	30		FEEDMO
C[N@@H+](CCCc1nc(-c2ccccc2)no1)CCCc1[nH]nc(N)c1C#N	ZINC000153311737	544759535	/nfs/dbraw/zinc/75/95/35/544759535.db2.gz	WYMBHCCNHAIOMK-UHFFFAOYSA-N	1	1	365.441	2.411	20	30		FEEDMO
CN1c2ccccc2N(C)C1=C1C(=N)N(C[C@@H]2CC[N@H+](C3CC3)C2)CC1=O	ZINC000153979897	544847414	/nfs/dbraw/zinc/84/74/14/544847414.db2.gz	SLGBRUKDWIZDSR-CQSZACIVSA-N	1	1	365.481	2.130	20	30		FEEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000154400113	544900880	/nfs/dbraw/zinc/90/08/80/544900880.db2.gz	VXDBZEHVWXFSFY-AWEZNQCLSA-N	1	1	362.861	2.483	20	30		FEEDMO
C=CCSCCNC(=O)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1	ZINC000552503269	674212305	/nfs/dbraw/zinc/21/23/05/674212305.db2.gz	QTGNOMBUGWPCIT-IRXDYDNUSA-N	1	1	367.559	2.135	20	30		FEEDMO
N#Cc1c(F)cccc1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000188595177	328097416	/nfs/dbraw/zinc/09/74/16/328097416.db2.gz	PINMRTPPGDXDEH-UHFFFAOYSA-N	1	1	373.350	2.424	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000189381284	328144406	/nfs/dbraw/zinc/14/44/06/328144406.db2.gz	FZMVDSNBVRUCDF-KRWDZBQOSA-N	1	1	373.501	2.452	20	30		FEEDMO
C[C@@H]1CSCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000190471615	328209882	/nfs/dbraw/zinc/20/98/82/328209882.db2.gz	IKCHYTPADGTVTK-AWEZNQCLSA-N	1	1	355.467	2.367	20	30		FEEDMO
C[C@@H]1CSCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000190471615	328209883	/nfs/dbraw/zinc/20/98/83/328209883.db2.gz	IKCHYTPADGTVTK-AWEZNQCLSA-N	1	1	355.467	2.367	20	30		FEEDMO
N#Cc1ccc(Br)c(C[NH+]2CCC(N3CCNC3=O)CC2)c1	ZINC000191777055	328281201	/nfs/dbraw/zinc/28/12/01/328281201.db2.gz	NSWQPZAQGIAAEH-UHFFFAOYSA-N	1	1	363.259	2.310	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CC[NH+](C)CC2)c1C#N	ZINC000026462972	324427580	/nfs/dbraw/zinc/42/75/80/324427580.db2.gz	CATMWRVRECYGSS-UHFFFAOYSA-N	1	1	369.444	2.291	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccco1	ZINC000048733847	324672325	/nfs/dbraw/zinc/67/23/25/324672325.db2.gz	WVLBPCIIIOYAGJ-CQSZACIVSA-N	1	1	360.801	2.162	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1	ZINC000048731238	324672360	/nfs/dbraw/zinc/67/23/60/324672360.db2.gz	LHRSVURZSIHNCL-KRWDZBQOSA-N	1	1	366.421	2.433	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)c3cc(C#N)cn3C)CC2)oc1C	ZINC000081756683	325196020	/nfs/dbraw/zinc/19/60/20/325196020.db2.gz	DKVKWKLBZZWLQD-UHFFFAOYSA-N	1	1	355.442	2.144	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C1CC1	ZINC000083537843	325218254	/nfs/dbraw/zinc/21/82/54/325218254.db2.gz	FIPBAFPJRMPIFA-UHFFFAOYSA-N	1	1	361.389	2.340	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[N@@H+](C)C1CC1	ZINC000083537863	325218966	/nfs/dbraw/zinc/21/89/66/325218966.db2.gz	RQEIVSJHVBKSLL-SNVBAGLBSA-N	1	1	361.389	2.338	20	30		FEEDMO
Cc1nc(C2CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)no1	ZINC000103472914	325519800	/nfs/dbraw/zinc/51/98/00/325519800.db2.gz	ORRPDAJQYGLROG-KRWDZBQOSA-N	1	1	351.410	2.235	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)c1	ZINC000119440645	326162948	/nfs/dbraw/zinc/16/29/48/326162948.db2.gz	NQDNFCRKFOQOCG-UHFFFAOYSA-N	1	1	353.401	2.433	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000121707900	326359988	/nfs/dbraw/zinc/35/99/88/326359988.db2.gz	UJIPVKPRZAWFKN-CXAGYDPISA-N	1	1	363.458	2.335	20	30		FEEDMO
CCC[C@H]1CN(CCC(=O)Nc2ccccc2C#N)CC[N@H+]1CCOC	ZINC000121918228	326375845	/nfs/dbraw/zinc/37/58/45/326375845.db2.gz	LQOWLKRKKNKPNZ-SFHVURJKSA-N	1	1	358.486	2.320	20	30		FEEDMO
CCC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)CCN1CCOC	ZINC000121918228	326375847	/nfs/dbraw/zinc/37/58/47/326375847.db2.gz	LQOWLKRKKNKPNZ-SFHVURJKSA-N	1	1	358.486	2.320	20	30		FEEDMO
CCC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCN1CCOC	ZINC000121918228	326375849	/nfs/dbraw/zinc/37/58/49/326375849.db2.gz	LQOWLKRKKNKPNZ-SFHVURJKSA-N	1	1	358.486	2.320	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000122383431	326394730	/nfs/dbraw/zinc/39/47/30/326394730.db2.gz	QUXHSLKUZOKNHH-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000122383431	326394731	/nfs/dbraw/zinc/39/47/31/326394731.db2.gz	QUXHSLKUZOKNHH-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[NH+]2CCN(Cc3ccc(Cl)nc3)CC2)cc1	ZINC000127522709	326507978	/nfs/dbraw/zinc/50/79/78/326507978.db2.gz	JOOGUYLJZDLIGD-SFHVURJKSA-N	1	1	356.857	2.458	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1	ZINC000156096203	326817186	/nfs/dbraw/zinc/81/71/86/326817186.db2.gz	WDYSETVOJGKFDW-INIZCTEOSA-N	1	1	374.422	2.048	20	30		FEEDMO
CC[C@H]1CN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000163400964	327050714	/nfs/dbraw/zinc/05/07/14/327050714.db2.gz	WHVFVSNYEFSVJR-WBVHZDCISA-N	1	1	359.470	2.019	20	30		FEEDMO
CC(C)(C)n1cc(C#N)cc1NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO	ZINC000171788418	327161598	/nfs/dbraw/zinc/16/15/98/327161598.db2.gz	BLWYQXWJLNRVCL-MRXNPFEDSA-N	1	1	361.490	2.473	20	30		FEEDMO
C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C[NH+]1CCOCC1	ZINC000172624127	327212337	/nfs/dbraw/zinc/21/23/37/327212337.db2.gz	SGXHJDBPNLPTFF-MRXNPFEDSA-N	1	1	356.470	2.201	20	30		FEEDMO
C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C[NH+]1CCOCC1	ZINC000172624125	327212367	/nfs/dbraw/zinc/21/23/67/327212367.db2.gz	SGXHJDBPNLPTFF-INIZCTEOSA-N	1	1	356.470	2.201	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1	ZINC000173531290	327264322	/nfs/dbraw/zinc/26/43/22/327264322.db2.gz	CPBKVYHISJIPRP-AWEZNQCLSA-N	1	1	371.384	2.212	20	30		FEEDMO
COc1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)cc1C#N	ZINC000174261076	327315914	/nfs/dbraw/zinc/31/59/14/327315914.db2.gz	WTZOGMZQPCBCRV-UHFFFAOYSA-N	1	1	351.454	2.003	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000174783768	327350960	/nfs/dbraw/zinc/35/09/60/327350960.db2.gz	QROYNVYTOCAAFN-IRXDYDNUSA-N	1	1	363.483	2.174	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1	ZINC000174886830	327358334	/nfs/dbraw/zinc/35/83/34/327358334.db2.gz	SYKMRPYZEMRAKU-IBGZPJMESA-N	1	1	372.513	2.048	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1	ZINC000265661296	329147663	/nfs/dbraw/zinc/14/76/63/329147663.db2.gz	RZIOAYKALWFXKO-GOSISDBHSA-N	1	1	374.448	2.097	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1	ZINC000265661296	329147665	/nfs/dbraw/zinc/14/76/65/329147665.db2.gz	RZIOAYKALWFXKO-GOSISDBHSA-N	1	1	374.448	2.097	20	30		FEEDMO
COC(=O)[C@H]1CC12CC[NH+]([C@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000267623812	329344223	/nfs/dbraw/zinc/34/42/23/329344223.db2.gz	QYPKKOMEOCPVJK-KGLIPLIRSA-N	1	1	359.451	2.000	20	30		FEEDMO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2[nH]ncc21	ZINC000268164448	329392175	/nfs/dbraw/zinc/39/21/75/329392175.db2.gz	QSHOARMAOSDVIV-KRWDZBQOSA-N	1	1	351.454	2.292	20	30		FEEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000275418904	330046680	/nfs/dbraw/zinc/04/66/80/330046680.db2.gz	MDARWMFSBTTWIG-AWEZNQCLSA-N	1	1	362.861	2.483	20	30		FEEDMO
CC(C)(C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(F)cc(C#N)c1	ZINC000367210149	330230363	/nfs/dbraw/zinc/23/03/63/330230363.db2.gz	AIWXLUWNJZIAPD-ZWKOTPCHSA-N	1	1	359.445	2.033	20	30		FEEDMO
COC[C@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C1CC1	ZINC000328625967	522535574	/nfs/dbraw/zinc/53/55/74/522535574.db2.gz	LFZMKYQFTLMYOK-RYQLBKOJSA-N	1	1	363.506	2.074	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000155540310	545540605	/nfs/dbraw/zinc/54/06/05/545540605.db2.gz	CWUVVHXUAYIERF-CQSZACIVSA-N	1	1	360.433	2.120	20	30		FEEDMO
CCN(CC)C(=O)CN1CCC[N@@H+](CCCOc2cccc(C#N)c2)CC1	ZINC000155540701	545540156	/nfs/dbraw/zinc/54/01/56/545540156.db2.gz	PSUFUIZQXXCEAQ-UHFFFAOYSA-N	1	1	372.513	2.203	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(C#N)[nH]2)C[C@H](C)O1	ZINC000158358786	545852844	/nfs/dbraw/zinc/85/28/44/545852844.db2.gz	CTCVBDQFZGNETO-GASCZTMLSA-N	1	1	352.438	2.426	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccc(C#N)[nH]2)C[C@H](C)O1	ZINC000158358786	545852849	/nfs/dbraw/zinc/85/28/49/545852849.db2.gz	CTCVBDQFZGNETO-GASCZTMLSA-N	1	1	352.438	2.426	20	30		FEEDMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccc(C#N)cc2F)C[C@H](C)O1	ZINC000170935026	546183570	/nfs/dbraw/zinc/18/35/70/546183570.db2.gz	GRBFXPHVJXFLLN-KBPBESRZSA-N	1	1	362.449	2.384	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000171537899	546214071	/nfs/dbraw/zinc/21/40/71/546214071.db2.gz	FZWGKHJRAULIPN-UHFFFAOYSA-N	1	1	359.289	2.378	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](OCCO)C2)cc1C	ZINC000172299321	546246145	/nfs/dbraw/zinc/24/61/45/546246145.db2.gz	RRJGOWYFPPRUJN-IBGZPJMESA-N	1	1	359.470	2.023	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](OCCO)C2)cc1C	ZINC000172299321	546246149	/nfs/dbraw/zinc/24/61/49/546246149.db2.gz	RRJGOWYFPPRUJN-IBGZPJMESA-N	1	1	359.470	2.023	20	30		FEEDMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)Cc1ccc(C#N)cc1	ZINC000172456939	546253716	/nfs/dbraw/zinc/25/37/16/546253716.db2.gz	ZCTYUFNFGCHNMQ-UHFFFAOYSA-N	1	1	362.477	2.381	20	30		FEEDMO
COCCN1CCC([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000173644273	546284305	/nfs/dbraw/zinc/28/43/05/546284305.db2.gz	MFVHCDSSALCVRQ-KRWDZBQOSA-N	1	1	358.486	2.022	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000480695019	561214691	/nfs/dbraw/zinc/21/46/91/561214691.db2.gz	IQTANEQSSIIOLP-UONOGXRCSA-N	1	1	353.463	2.237	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1OCC#N	ZINC000177056181	546533026	/nfs/dbraw/zinc/53/30/26/546533026.db2.gz	PBCHDOUFBMYINL-YIWFVGIGSA-N	1	1	355.438	2.352	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1CCN(CCc2ccccn2)CC1	ZINC000177257384	546580361	/nfs/dbraw/zinc/58/03/61/546580361.db2.gz	JFSYGMOBIDDMTE-SFHVURJKSA-N	1	1	371.529	2.028	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1	ZINC000177257384	546580365	/nfs/dbraw/zinc/58/03/65/546580365.db2.gz	JFSYGMOBIDDMTE-SFHVURJKSA-N	1	1	371.529	2.028	20	30		FEEDMO
CN(Cc1ccccc1)CC(C)(C)C[NH2+]CCNC(=O)C1N=CC=CC1=O	ZINC000177559844	546643897	/nfs/dbraw/zinc/64/38/97/546643897.db2.gz	KMSRCAQMQAKBNS-VXPUYCOJSA-N	1	1	370.497	2.261	20	30		FEEDMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000177658978	546662293	/nfs/dbraw/zinc/66/22/93/546662293.db2.gz	JXDUBKSMLQYWMR-WCQYABFASA-N	1	1	373.400	2.434	20	30		FEEDMO
N#Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)C(N)=O)cc1	ZINC000481702620	561239051	/nfs/dbraw/zinc/23/90/51/561239051.db2.gz	PFOPBTSBLSLQLB-ZCNNSNEGSA-N	1	1	357.417	2.416	20	30		FEEDMO
CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000481737672	561240255	/nfs/dbraw/zinc/24/02/55/561240255.db2.gz	PAUQYSXSNOHIHE-JKSUJKDBSA-N	1	1	370.409	2.151	20	30		FEEDMO
CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000481737672	561240256	/nfs/dbraw/zinc/24/02/56/561240256.db2.gz	PAUQYSXSNOHIHE-JKSUJKDBSA-N	1	1	370.409	2.151	20	30		FEEDMO
Cn1cc(CNCC2([NH+](C)C)CCOCC2)c(-c2ccc(C#N)cc2)n1	ZINC000180214015	547068901	/nfs/dbraw/zinc/06/89/01/547068901.db2.gz	NQJYIHPWXVTVKY-UHFFFAOYSA-N	1	1	353.470	2.159	20	30		FEEDMO
C[NH+](C)CCN1CCC(CNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000180398547	547100533	/nfs/dbraw/zinc/10/05/33/547100533.db2.gz	VTENWNHJAZBFDV-UHFFFAOYSA-N	1	1	354.498	2.245	20	30		FEEDMO
N#Cc1cc(F)ccc1CN1C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1=O	ZINC000180742507	547170555	/nfs/dbraw/zinc/17/05/55/547170555.db2.gz	LNQAQWDWTRKIPZ-KDURUIRLSA-N	1	1	363.392	2.314	20	30		FEEDMO
C[C@H]1CCC[C@H]([NH+]2CCC(NCCNC(=O)C3N=CC=CC3=O)CC2)C1	ZINC000180882631	547201832	/nfs/dbraw/zinc/20/18/32/547201832.db2.gz	LVXJUWBHHFKYET-WXOYBGPJSA-N	1	1	360.502	2.146	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000181286304	547286335	/nfs/dbraw/zinc/28/63/35/547286335.db2.gz	NFFQOBQTQJQKAD-QGZVFWFLSA-N	1	1	366.469	2.413	20	30		FEEDMO
C=CCn1c(SCCC[NH+]2CCN(C)CC2)nnc1-c1ccncc1	ZINC000181306018	547291008	/nfs/dbraw/zinc/29/10/08/547291008.db2.gz	LMQHCNFHKXUJAB-UHFFFAOYSA-N	1	1	358.515	2.256	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)C[N@@H+](CCO)[C@@H]1CCO[C@H]1C	ZINC000483294809	561273422	/nfs/dbraw/zinc/27/34/22/561273422.db2.gz	JNFPMPSVIWQFBE-GOEBONIOSA-N	1	1	350.484	2.375	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)C[N@H+](CCO)[C@@H]1CCO[C@H]1C	ZINC000483294809	561273423	/nfs/dbraw/zinc/27/34/23/561273423.db2.gz	JNFPMPSVIWQFBE-GOEBONIOSA-N	1	1	350.484	2.375	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCCN(c4ccccn4)CC3)C2=O)cc1	ZINC000183774378	547717697	/nfs/dbraw/zinc/71/76/97/547717697.db2.gz	XULCDYZMWQZFOW-LJQANCHMSA-N	1	1	361.449	2.271	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CCCN(c4ccccn4)CC3)C2=O)cc1	ZINC000183774378	547717700	/nfs/dbraw/zinc/71/77/00/547717700.db2.gz	XULCDYZMWQZFOW-LJQANCHMSA-N	1	1	361.449	2.271	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000184328819	547808170	/nfs/dbraw/zinc/80/81/70/547808170.db2.gz	NABUWOTYGRSEFG-XLIONFOSSA-N	1	1	372.513	2.104	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000184498931	547837669	/nfs/dbraw/zinc/83/76/69/547837669.db2.gz	SLVIATURDDFWHL-ROUUACIJSA-N	1	1	360.454	2.352	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](CCO)Cc1ccc(Br)s1	ZINC000485127812	561313409	/nfs/dbraw/zinc/31/34/09/561313409.db2.gz	MTGQHFGJMOQBCH-UHFFFAOYSA-N	1	1	374.304	2.067	20	30		FEEDMO
Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cccc(F)c1C#N	ZINC000485265782	561315911	/nfs/dbraw/zinc/31/59/11/561315911.db2.gz	MHOPOTBHHAUVGO-RDJZCZTQSA-N	1	1	359.424	2.475	20	30		FEEDMO
Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1cccc(F)c1C#N	ZINC000485265782	561315912	/nfs/dbraw/zinc/31/59/12/561315912.db2.gz	MHOPOTBHHAUVGO-RDJZCZTQSA-N	1	1	359.424	2.475	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000185281698	547964474	/nfs/dbraw/zinc/96/44/74/547964474.db2.gz	WNVNJCFBSOWCFC-UKRRQHHQSA-N	1	1	353.875	2.316	20	30		FEEDMO
C=CC[C@@H](CO)NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000185785775	548035905	/nfs/dbraw/zinc/03/59/05/548035905.db2.gz	GBFOIELMAAWQBU-DOTOQJQBSA-N	1	1	356.388	2.494	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1OC	ZINC000186948858	548226106	/nfs/dbraw/zinc/22/61/06/548226106.db2.gz	AMURBCVPAVLKEW-OAHLLOKOSA-N	1	1	362.470	2.177	20	30		FEEDMO
N#CCNC(=O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1	ZINC000187841041	548264859	/nfs/dbraw/zinc/26/48/59/548264859.db2.gz	MNOSTQFRADPEIN-UHFFFAOYSA-N	1	1	355.360	2.436	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](C)CCOc1ccc(C(F)(F)F)cc1	ZINC000190371496	548323549	/nfs/dbraw/zinc/32/35/49/548323549.db2.gz	FZNZENPEWOHGRE-UHFFFAOYSA-N	1	1	359.348	2.028	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1	ZINC000190371496	548323557	/nfs/dbraw/zinc/32/35/57/548323557.db2.gz	FZNZENPEWOHGRE-UHFFFAOYSA-N	1	1	359.348	2.028	20	30		FEEDMO
C=CC[N@@H+](CCOC)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1	ZINC000191130922	548340247	/nfs/dbraw/zinc/34/02/47/548340247.db2.gz	CVSHRAIBPOGREZ-UHFFFAOYSA-N	1	1	359.352	2.176	20	30		FEEDMO
C=CC[N@H+](CCOC)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1	ZINC000191130922	548340249	/nfs/dbraw/zinc/34/02/49/548340249.db2.gz	CVSHRAIBPOGREZ-UHFFFAOYSA-N	1	1	359.352	2.176	20	30		FEEDMO
CCCCN(C)C(=O)C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000193518057	548389135	/nfs/dbraw/zinc/38/91/35/548389135.db2.gz	GMJGMQAELHOFIW-UHFFFAOYSA-N	1	1	356.470	2.467	20	30		FEEDMO
N#CCOc1ccccc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000194052905	548428645	/nfs/dbraw/zinc/42/86/45/548428645.db2.gz	XKMSTLGSEKKEPW-UHFFFAOYSA-N	1	1	357.454	2.354	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1C#N	ZINC000245673634	548971421	/nfs/dbraw/zinc/97/14/21/548971421.db2.gz	SRJWFWJACUOABS-MOPGFXCFSA-N	1	1	362.433	2.367	20	30		FEEDMO
C=CCN(C(=O)C[N@H+](CC)C1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000488212308	561386129	/nfs/dbraw/zinc/38/61/29/561386129.db2.gz	BVULALUINSBGPF-HNNXBMFYSA-N	1	1	354.458	2.222	20	30		FEEDMO
CCC[C@@H]1CN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC[N@H+]1CCOC	ZINC000246060863	549043673	/nfs/dbraw/zinc/04/36/73/549043673.db2.gz	YIGIKQKEZNGZFB-QZTJIDSGSA-N	1	1	364.534	2.150	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000246209254	549078551	/nfs/dbraw/zinc/07/85/51/549078551.db2.gz	AINWWYAXWFPUDS-PKOBYXMFSA-N	1	1	359.495	2.337	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000246284643	549097368	/nfs/dbraw/zinc/09/73/68/549097368.db2.gz	ABXZNTNZLUSCEA-UWJYYQICSA-N	1	1	370.497	2.183	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1	ZINC000246284643	549097371	/nfs/dbraw/zinc/09/73/71/549097371.db2.gz	ABXZNTNZLUSCEA-UWJYYQICSA-N	1	1	370.497	2.183	20	30		FEEDMO
C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC[C@H]1O	ZINC000246551646	549159435	/nfs/dbraw/zinc/15/94/35/549159435.db2.gz	LJPLQPYLDRWESM-NVXWUHKLSA-N	1	1	368.399	2.266	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000246592280	549169986	/nfs/dbraw/zinc/16/99/86/549169986.db2.gz	FWQSPKFTSSAADU-QWHCGFSZSA-N	1	1	360.376	2.068	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccccc1C(F)(F)F	ZINC000246592280	549169987	/nfs/dbraw/zinc/16/99/87/549169987.db2.gz	FWQSPKFTSSAADU-QWHCGFSZSA-N	1	1	360.376	2.068	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1	ZINC000246674131	549186865	/nfs/dbraw/zinc/18/68/65/549186865.db2.gz	LLRWGLOJBZNXCF-IEBWSBKVSA-N	1	1	356.470	2.159	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](OCCO)C1	ZINC000246688470	549188943	/nfs/dbraw/zinc/18/89/43/549188943.db2.gz	CWGRZASJHKHZKH-IUODEOHRSA-N	1	1	351.834	2.012	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](OCCO)C1	ZINC000246688470	549188946	/nfs/dbraw/zinc/18/89/46/549188946.db2.gz	CWGRZASJHKHZKH-IUODEOHRSA-N	1	1	351.834	2.012	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000247356892	549323869	/nfs/dbraw/zinc/32/38/69/549323869.db2.gz	OIABUYZZYPYFAX-SJLPKXTDSA-N	1	1	355.486	2.119	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000247965223	549395156	/nfs/dbraw/zinc/39/51/56/549395156.db2.gz	BFOVRPIPPNCOHS-KRWDZBQOSA-N	1	1	357.502	2.385	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000247965223	549395159	/nfs/dbraw/zinc/39/51/59/549395159.db2.gz	BFOVRPIPPNCOHS-KRWDZBQOSA-N	1	1	357.502	2.385	20	30		FEEDMO
CC1([C@H]2CCC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)OCCO1	ZINC000248458308	549443854	/nfs/dbraw/zinc/44/38/54/549443854.db2.gz	MXAVHLDXSLWOJW-WMZOPIPTSA-N	1	1	355.438	2.139	20	30		FEEDMO
COCC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCO[C@H]1C	ZINC000489397498	561409804	/nfs/dbraw/zinc/40/98/04/561409804.db2.gz	FCZASOWVSVLNFJ-BLLLJJGKSA-N	1	1	351.834	2.276	20	30		FEEDMO
COCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCO[C@H]1C	ZINC000489397498	561409805	/nfs/dbraw/zinc/40/98/05/561409805.db2.gz	FCZASOWVSVLNFJ-BLLLJJGKSA-N	1	1	351.834	2.276	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[N@@H+](C)[C@H](C(C)C)C3)C2)n1	ZINC000489401792	561410054	/nfs/dbraw/zinc/41/00/54/561410054.db2.gz	YCVXBIFRAUWVHX-MOPGFXCFSA-N	1	1	369.513	2.277	20	30		FEEDMO
C=C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccccc1CN1CCOCC1	ZINC000489404244	561410186	/nfs/dbraw/zinc/41/01/86/561410186.db2.gz	ONHBRQDDLYLWQF-HXUWFJFHSA-N	1	1	357.498	2.176	20	30		FEEDMO
COC(=O)[C@@H](C)C[N@@H+](C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248775126	549500252	/nfs/dbraw/zinc/50/02/52/549500252.db2.gz	UGDHXXAOTAQKMF-KSSFIOAISA-N	1	1	355.438	2.327	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489636315	561416086	/nfs/dbraw/zinc/41/60/86/561416086.db2.gz	RTHJEUXEYPSOMJ-IFXJQAMLSA-N	1	1	373.453	2.496	20	30		FEEDMO
COCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCOC1	ZINC000490064824	561425501	/nfs/dbraw/zinc/42/55/01/561425501.db2.gz	VBGUJUNBBMDDJW-CYBMUJFWSA-N	1	1	363.483	2.174	20	30		FEEDMO
CS(=O)(=O)N1CC[N@H+](CCOc2cccc(C#N)c2)Cc2ccccc21	ZINC000490647636	561436735	/nfs/dbraw/zinc/43/67/35/561436735.db2.gz	IANAUCNHLMVGGI-UHFFFAOYSA-N	1	1	371.462	2.219	20	30		FEEDMO
CS(=O)(=O)N1CC[N@@H+](CCOc2cccc(C#N)c2)Cc2ccccc21	ZINC000490647636	561436736	/nfs/dbraw/zinc/43/67/36/561436736.db2.gz	IANAUCNHLMVGGI-UHFFFAOYSA-N	1	1	371.462	2.219	20	30		FEEDMO
Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(N3CCN(C)CC3)nc2)c1	ZINC000264056925	549973663	/nfs/dbraw/zinc/97/36/63/549973663.db2.gz	BLRRTJIFHJMVBJ-UHFFFAOYSA-N	1	1	352.486	2.377	20	30		FEEDMO
C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OCc1noc(C2CC2)n1	ZINC000264954848	550004435	/nfs/dbraw/zinc/00/44/35/550004435.db2.gz	WDCUFEXQBIKBJX-SNVBAGLBSA-N	1	1	353.423	2.239	20	30		FEEDMO
COc1cc(CNC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1C#N	ZINC000491124763	561443105	/nfs/dbraw/zinc/44/31/05/561443105.db2.gz	WBTMEYBHUAWJOC-RVKKMQEKSA-N	1	1	356.470	2.439	20	30		FEEDMO
COCCOC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1	ZINC000266607987	550022177	/nfs/dbraw/zinc/02/21/77/550022177.db2.gz	HAGKFKJIJXIZHO-OAHLLOKOSA-N	1	1	363.483	2.226	20	30		FEEDMO
COCCOC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1	ZINC000266607987	550022180	/nfs/dbraw/zinc/02/21/80/550022180.db2.gz	HAGKFKJIJXIZHO-OAHLLOKOSA-N	1	1	363.483	2.226	20	30		FEEDMO
COc1cc(OC)cc(OCCC[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)c1	ZINC000267885344	550035374	/nfs/dbraw/zinc/03/53/74/550035374.db2.gz	GFSUGVPREKXXTR-OAHLLOKOSA-N	1	1	363.458	2.165	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@](C)(C(=O)OC)C2)c(OC)c1	ZINC000268333106	550051084	/nfs/dbraw/zinc/05/10/84/550051084.db2.gz	JFYBZCPWKVGYAG-JXFKEZNVSA-N	1	1	363.454	2.048	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000268809149	550118911	/nfs/dbraw/zinc/11/89/11/550118911.db2.gz	STEZIJGSFUBSOT-IINYFYTJSA-N	1	1	373.400	2.338	20	30		FEEDMO
N#Cc1ccc(CNC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000269699959	550218363	/nfs/dbraw/zinc/21/83/63/550218363.db2.gz	YCEJWVUBSYBOTQ-UYAOXDASSA-N	1	1	352.482	2.123	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(CC#N)cc3)cc2)CC1	ZINC000270244274	550255993	/nfs/dbraw/zinc/25/59/93/550255993.db2.gz	LVFHBUAMCFLPAG-UHFFFAOYSA-N	1	1	362.477	2.430	20	30		FEEDMO
CCC[N@@H+](CCC(=O)N(C)CCC#N)CC(=O)Nc1ccccc1OC	ZINC000270659753	550293937	/nfs/dbraw/zinc/29/39/37/550293937.db2.gz	OMRAEGRHPYOPEK-UHFFFAOYSA-N	1	1	360.458	2.108	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)cc1OC	ZINC000271131080	550343199	/nfs/dbraw/zinc/34/31/99/550343199.db2.gz	KBVMRIXCMHYZNJ-SFHVURJKSA-N	1	1	367.486	2.494	20	30		FEEDMO
C=CCCC[N@H+](C)Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1	ZINC000271165940	550347829	/nfs/dbraw/zinc/34/78/29/550347829.db2.gz	CENHIQZTPMQYLO-UHFFFAOYSA-N	1	1	362.470	2.331	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](Cc1ccc(OC)cc1)[C@H](CO)C(C)C	ZINC000272333735	550438521	/nfs/dbraw/zinc/43/85/21/550438521.db2.gz	XACLZBMIMTXXSI-LJQANCHMSA-N	1	1	361.486	2.276	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)[C@H]2C1	ZINC000272405829	550444471	/nfs/dbraw/zinc/44/44/71/550444471.db2.gz	KPWKEPLLETVURK-RISCZKNCSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCC2	ZINC000273738076	550509934	/nfs/dbraw/zinc/50/99/34/550509934.db2.gz	LKLXJDXDVVFAFX-OAHLLOKOSA-N	1	1	350.470	2.411	20	30		FEEDMO
COc1ccc(C[NH2+][C@H](C)CCN2CCN(C)CC2)cc1OCCCC#N	ZINC000274630544	550546992	/nfs/dbraw/zinc/54/69/92/550546992.db2.gz	ZJOWXUBMZWBBQC-GOSISDBHSA-N	1	1	374.529	2.493	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N(CCC#N)CCC#N	ZINC000274856975	550559831	/nfs/dbraw/zinc/55/98/31/550559831.db2.gz	SNZBKDXBQBEGQK-ICSRJNTNSA-N	1	1	367.497	2.143	20	30		FEEDMO
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)CCC#N	ZINC000274856975	550559832	/nfs/dbraw/zinc/55/98/32/550559832.db2.gz	SNZBKDXBQBEGQK-ICSRJNTNSA-N	1	1	367.497	2.143	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+](CCO)C1CCOCC1)c1cccc(Cl)c1	ZINC000275472202	550572624	/nfs/dbraw/zinc/57/26/24/550572624.db2.gz	CVCHFBKLJVQIBC-UHFFFAOYSA-N	1	1	365.861	2.060	20	30		FEEDMO
C=CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000276530179	550579004	/nfs/dbraw/zinc/57/90/04/550579004.db2.gz	ZSFZIRIDMYEYGC-UHFFFAOYSA-N	1	1	359.879	2.037	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)CC2)o1	ZINC000276712905	550588088	/nfs/dbraw/zinc/58/80/88/550588088.db2.gz	ZQPACIPVULUADC-INIZCTEOSA-N	1	1	371.441	2.083	20	30		FEEDMO
CCN(CC)c1ccc(/C=[NH+]/[C@H](CCC(=O)OC)C(=O)OC)c(O)c1	ZINC000276755042	550592476	/nfs/dbraw/zinc/59/24/76/550592476.db2.gz	YUFWNRODXSWAKD-IYSPOMMRSA-N	1	1	350.415	2.152	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCc3cc[nH]c(=O)c3C2)c(OC)c1	ZINC000277000853	550620190	/nfs/dbraw/zinc/62/01/90/550620190.db2.gz	WHAZZLWTPRKAJT-QGZVFWFLSA-N	1	1	370.449	2.322	20	30		FEEDMO
COc1c(O)cccc1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O	ZINC000277060670	550627290	/nfs/dbraw/zinc/62/72/90/550627290.db2.gz	DEIYWMYHNSPOSY-KRWDZBQOSA-N	1	1	351.406	2.163	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc(CC(=O)N[C@H](C)c3ccccc3)no2)CC1	ZINC000277726706	550706707	/nfs/dbraw/zinc/70/67/07/550706707.db2.gz	CMGARXZZDUQONZ-OAHLLOKOSA-N	1	1	352.438	2.302	20	30		FEEDMO
N#Cc1cccc(-c2cc(C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)on2)c1	ZINC000278909800	550834945	/nfs/dbraw/zinc/83/49/45/550834945.db2.gz	ABFJMJBRRASCST-INIZCTEOSA-N	1	1	366.421	2.008	20	30		FEEDMO
C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1	ZINC000279695153	550917728	/nfs/dbraw/zinc/91/77/28/550917728.db2.gz	GKUKUDWACFYTGD-APWZRJJASA-N	1	1	369.465	2.324	20	30		FEEDMO
C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC2(CCOCC2)O1	ZINC000279695153	550917730	/nfs/dbraw/zinc/91/77/30/550917730.db2.gz	GKUKUDWACFYTGD-APWZRJJASA-N	1	1	369.465	2.324	20	30		FEEDMO
COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)CC1	ZINC000279716042	550920373	/nfs/dbraw/zinc/92/03/73/550920373.db2.gz	BFTLJKLZWVNNAI-HNNXBMFYSA-N	1	1	357.454	2.197	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C2(CCO)CCOCC2)c1	ZINC000495453824	561488377	/nfs/dbraw/zinc/48/83/77/561488377.db2.gz	GBPNTNWIFIHILG-UHFFFAOYSA-N	1	1	373.497	2.414	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1	ZINC000279883261	550939126	/nfs/dbraw/zinc/93/91/26/550939126.db2.gz	CVJPKKWXVIHUEZ-UXHICEINSA-N	1	1	365.481	2.493	20	30		FEEDMO
C[C@H](CO)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1CCC1	ZINC000280344333	550983011	/nfs/dbraw/zinc/98/30/11/550983011.db2.gz	IPASUJZRQPHJJE-OAHLLOKOSA-N	1	1	367.453	2.165	20	30		FEEDMO
C[C@]1(C(N)=O)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000280826290	551036441	/nfs/dbraw/zinc/03/64/41/551036441.db2.gz	VLACOYURBUYNSP-SFHVURJKSA-N	1	1	360.483	2.024	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1=O	ZINC000281195601	551072897	/nfs/dbraw/zinc/07/28/97/551072897.db2.gz	CDIQMEVWKUJMNT-OLMNPRSZSA-N	1	1	366.889	2.497	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1	ZINC000281263543	551078994	/nfs/dbraw/zinc/07/89/94/551078994.db2.gz	VOIJGMMUVZZECU-JXFKEZNVSA-N	1	1	356.470	2.088	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)C1=O	ZINC000281442967	551098326	/nfs/dbraw/zinc/09/83/26/551098326.db2.gz	UBSRSRCHRCWFNH-RTBURBONSA-N	1	1	355.482	2.289	20	30		FEEDMO
CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000281451397	551099396	/nfs/dbraw/zinc/09/93/96/551099396.db2.gz	QPCFCJWDAPHODA-YWZLYKJASA-N	1	1	373.453	2.177	20	30		FEEDMO
CCOC(=O)[C@@]1(COC)CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000281451397	551099398	/nfs/dbraw/zinc/09/93/98/551099398.db2.gz	QPCFCJWDAPHODA-YWZLYKJASA-N	1	1	373.453	2.177	20	30		FEEDMO
N#CC1(CCC[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)CCOCC1	ZINC000281897432	551154945	/nfs/dbraw/zinc/15/49/45/551154945.db2.gz	FJDJKHYHNVVUCN-UHFFFAOYSA-N	1	1	357.454	2.251	20	30		FEEDMO
CN1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C[C@@H]1C#N	ZINC000282895310	551282762	/nfs/dbraw/zinc/28/27/62/551282762.db2.gz	XOXNMTOBTNPTPD-OALUTQOASA-N	1	1	369.513	2.136	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1	ZINC000283037475	551301452	/nfs/dbraw/zinc/30/14/52/551301452.db2.gz	QWVAJIQTYURMRV-IRXDYDNUSA-N	1	1	364.515	2.062	20	30		FEEDMO
CCOC(=O)c1cnn(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C#N	ZINC000283791619	551428054	/nfs/dbraw/zinc/42/80/54/551428054.db2.gz	FVYSNWKZUMSERY-KRWDZBQOSA-N	1	1	368.437	2.223	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1	ZINC000283974802	551460529	/nfs/dbraw/zinc/46/05/29/551460529.db2.gz	LRVXGGWHSDZICE-DLBZAZTESA-N	1	1	370.497	2.364	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000284117402	551486905	/nfs/dbraw/zinc/48/69/05/551486905.db2.gz	CPUOVDRCZGVCTH-MOPGFXCFSA-N	1	1	368.481	2.040	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC[N@H+](C)C1CC1	ZINC000284402169	551541704	/nfs/dbraw/zinc/54/17/04/551541704.db2.gz	AYFSAMAOAOMINC-UHFFFAOYSA-N	1	1	355.891	2.127	20	30		FEEDMO
C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000498531161	561527211	/nfs/dbraw/zinc/52/72/11/561527211.db2.gz	ZPGXDAKKACBOHA-RYGJVYDSSA-N	1	1	373.497	2.457	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C[C@H]1C	ZINC000498584264	561529567	/nfs/dbraw/zinc/52/95/67/561529567.db2.gz	QITQNYSJYKTOQG-KGLIPLIRSA-N	1	1	368.485	2.092	20	30		FEEDMO
C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000286057067	551843931	/nfs/dbraw/zinc/84/39/31/551843931.db2.gz	RIWXPJDKRUTFKT-OXJNMPFZSA-N	1	1	365.481	2.254	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000286716064	551918090	/nfs/dbraw/zinc/91/80/90/551918090.db2.gz	PHXRNAOXLCCGFX-PKOBYXMFSA-N	1	1	355.482	2.356	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000287052343	551956859	/nfs/dbraw/zinc/95/68/59/551956859.db2.gz	MWOFAZHRXQYZLP-UHFFFAOYSA-N	1	1	371.416	2.455	20	30		FEEDMO
N#Cc1ccc(NC(=O)NCC[N@H+]2CCCOCC2)cc1Br	ZINC000287206976	551975992	/nfs/dbraw/zinc/97/59/92/551975992.db2.gz	METCIHDDUHZCLM-UHFFFAOYSA-N	1	1	367.247	2.165	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(C#N)c1C	ZINC000287285656	551985300	/nfs/dbraw/zinc/98/53/00/551985300.db2.gz	IIWSSZILGWMLBB-DZGCQCFKSA-N	1	1	358.442	2.039	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(C#N)c1C	ZINC000287285656	551985302	/nfs/dbraw/zinc/98/53/02/551985302.db2.gz	IIWSSZILGWMLBB-DZGCQCFKSA-N	1	1	358.442	2.039	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1	ZINC000287344733	551992193	/nfs/dbraw/zinc/99/21/93/551992193.db2.gz	LDKGYSZALMEFNQ-ROUUACIJSA-N	1	1	368.481	2.266	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1	ZINC000287681964	552033773	/nfs/dbraw/zinc/03/37/73/552033773.db2.gz	CDUCEIBCDCPWOR-NSHDSACASA-N	1	1	368.359	2.068	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C1	ZINC000287681964	552033775	/nfs/dbraw/zinc/03/37/75/552033775.db2.gz	CDUCEIBCDCPWOR-NSHDSACASA-N	1	1	368.359	2.068	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1	ZINC000288405559	552148192	/nfs/dbraw/zinc/14/81/92/552148192.db2.gz	LFDBOKRTLLRQOB-UHFFFAOYSA-N	1	1	353.422	2.180	20	30		FEEDMO
COCCOCC[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000288548763	552173047	/nfs/dbraw/zinc/17/30/47/552173047.db2.gz	AOSWWGFNKKVOPL-UHFFFAOYSA-N	1	1	353.850	2.181	20	30		FEEDMO
COCCOCC[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000288548763	552173048	/nfs/dbraw/zinc/17/30/48/552173048.db2.gz	AOSWWGFNKKVOPL-UHFFFAOYSA-N	1	1	353.850	2.181	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C1=O	ZINC000500015349	561564155	/nfs/dbraw/zinc/56/41/55/561564155.db2.gz	PHMBULARWRWZDF-HOCLYGCPSA-N	1	1	356.388	2.328	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)C1=O	ZINC000500015350	561564211	/nfs/dbraw/zinc/56/42/11/561564211.db2.gz	PHMBULARWRWZDF-ZBFHGGJFSA-N	1	1	356.388	2.328	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1	ZINC000289313619	552299866	/nfs/dbraw/zinc/29/98/66/552299866.db2.gz	FAQDVQSTUCAVKY-SFHVURJKSA-N	1	1	364.511	2.192	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1	ZINC000289529643	552336023	/nfs/dbraw/zinc/33/60/23/552336023.db2.gz	HPGSMOBTHRMMMT-INIZCTEOSA-N	1	1	368.481	2.062	20	30		FEEDMO
C=CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1	ZINC000289662495	552358091	/nfs/dbraw/zinc/35/80/91/552358091.db2.gz	MJCJLYASKDLDBA-KRWDZBQOSA-N	1	1	370.501	2.249	20	30		FEEDMO
C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C	ZINC000289724486	552368237	/nfs/dbraw/zinc/36/82/37/552368237.db2.gz	PQLFHMWZOCPYAR-MAUKXSAKSA-N	1	1	371.533	2.492	20	30		FEEDMO
Cc1cc(CNC(=O)Nc2ccn(CCC#N)n2)cc(N2CCCC2)[nH+]1	ZINC000289876109	552392769	/nfs/dbraw/zinc/39/27/69/552392769.db2.gz	HLSWDYMGPIGJJR-UHFFFAOYSA-N	1	1	353.430	2.422	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccsc1	ZINC000500833933	561583983	/nfs/dbraw/zinc/58/39/83/561583983.db2.gz	QLCFYYCOGCYCDH-MRXNPFEDSA-N	1	1	367.471	2.481	20	30		FEEDMO
COc1ccc([C@H](O)C2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)cc1	ZINC000291666681	552648862	/nfs/dbraw/zinc/64/88/62/552648862.db2.gz	GDHOQAWFHOBSHH-SFTDATJTSA-N	1	1	371.481	2.249	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c(OC)c1	ZINC000291777284	552660647	/nfs/dbraw/zinc/66/06/47/552660647.db2.gz	MADLDYICQQIURR-HZPDHXFCSA-N	1	1	371.424	2.113	20	30		FEEDMO
Cc1nc(N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)ccc1C#N	ZINC000291943086	552677250	/nfs/dbraw/zinc/67/72/50/552677250.db2.gz	MXBZRPDYKDOFNH-KRWDZBQOSA-N	1	1	371.485	2.393	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC[N@H+](C2CCC2)C1	ZINC000292074604	552691118	/nfs/dbraw/zinc/69/11/18/552691118.db2.gz	QGCKXKMCKMVXMS-CYBMUJFWSA-N	1	1	351.447	2.192	20	30		FEEDMO
COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292239400	552707519	/nfs/dbraw/zinc/70/75/19/552707519.db2.gz	QEOSRUHFEUKQBH-GOSISDBHSA-N	1	1	366.421	2.444	20	30		FEEDMO
COc1nc(N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)ncc1Br	ZINC000292833147	552762704	/nfs/dbraw/zinc/76/27/04/552762704.db2.gz	OYNLLWQWDTXNOA-RYUDHWBXSA-N	1	1	366.263	2.062	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000293094393	552788328	/nfs/dbraw/zinc/78/83/28/552788328.db2.gz	PRRBMCHHRPFBIV-QGZVFWFLSA-N	1	1	360.845	2.449	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000293094393	552788330	/nfs/dbraw/zinc/78/83/30/552788330.db2.gz	PRRBMCHHRPFBIV-QGZVFWFLSA-N	1	1	360.845	2.449	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2ccn(CCC)c2c1	ZINC000293255691	552804042	/nfs/dbraw/zinc/80/40/42/552804042.db2.gz	DRVQWOFUWWKCFY-UHFFFAOYSA-N	1	1	354.454	2.061	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(CCC(F)(F)F)cc1	ZINC000293302338	552809427	/nfs/dbraw/zinc/80/94/27/552809427.db2.gz	HPBIXHNJMGLLOQ-UHFFFAOYSA-N	1	1	369.387	2.191	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(N2CCCCCC2)c1	ZINC000293467696	552826701	/nfs/dbraw/zinc/82/67/01/552826701.db2.gz	UQTJYZUEZIIISY-UHFFFAOYSA-N	1	1	370.497	2.077	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCN1c1ncnc2sc(C)cc21	ZINC000294075484	552879883	/nfs/dbraw/zinc/87/98/83/552879883.db2.gz	WEYFVSPLLLPCJX-MRXNPFEDSA-N	1	1	371.510	2.040	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N1CCC(OCc2ccccc2OC)CC1	ZINC000296777455	553210045	/nfs/dbraw/zinc/21/00/45/553210045.db2.gz	GRSVYDFPCXXXRN-UHFFFAOYSA-N	1	1	373.497	2.341	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC(O)(c2ccccc2Cl)CC1	ZINC000297200148	553262961	/nfs/dbraw/zinc/26/29/61/553262961.db2.gz	CTIHFWHTSKYOBA-UHFFFAOYSA-N	1	1	363.889	2.288	20	30		FEEDMO
CC1(C)OCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000297895942	553353967	/nfs/dbraw/zinc/35/39/67/553353967.db2.gz	SAAPLZWAFGNPDK-SFHVURJKSA-N	1	1	356.470	2.343	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@@H]1CCNC1=O	ZINC000298419098	553423011	/nfs/dbraw/zinc/42/30/11/553423011.db2.gz	FUMPNMLYFFAJSL-IUODEOHRSA-N	1	1	374.510	2.284	20	30		FEEDMO
CC[N@@H+](CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C	ZINC000503913443	561649790	/nfs/dbraw/zinc/64/97/90/561649790.db2.gz	VJKKIAXBSZSHFI-GOSISDBHSA-N	1	1	371.485	2.083	20	30		FEEDMO
N#Cc1ccc(CNC(=O)CNc2ccccc2C[NH+]2CCOCC2)cc1	ZINC000299325493	553548070	/nfs/dbraw/zinc/54/80/70/553548070.db2.gz	ASPSKBULKUAPCQ-UHFFFAOYSA-N	1	1	364.449	2.119	20	30		FEEDMO
CCCS(=O)(=O)CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000299614804	553589116	/nfs/dbraw/zinc/58/91/16/553589116.db2.gz	IFZQGAGCVXULPH-UHFFFAOYSA-N	1	1	363.483	2.034	20	30		FEEDMO
CCc1nnc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(C#N)c1CC	ZINC000301625126	553666600	/nfs/dbraw/zinc/66/66/00/553666600.db2.gz	POWWMNGGSUTJAQ-QGZVFWFLSA-N	1	1	365.481	2.304	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1	ZINC000301883764	553688581	/nfs/dbraw/zinc/68/85/81/553688581.db2.gz	YEPYWNMYMOCGTE-CQSZACIVSA-N	1	1	350.260	2.479	20	30		FEEDMO
N#Cc1ccc(N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)nn1	ZINC000302008234	553697593	/nfs/dbraw/zinc/69/75/93/553697593.db2.gz	VCJUYLFCACBCQZ-UHFFFAOYSA-N	1	1	367.844	2.362	20	30		FEEDMO
N#Cc1ccc(N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)nn1	ZINC000302008234	553697595	/nfs/dbraw/zinc/69/75/95/553697595.db2.gz	VCJUYLFCACBCQZ-UHFFFAOYSA-N	1	1	367.844	2.362	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1C#N	ZINC000311937121	553755600	/nfs/dbraw/zinc/75/56/00/553755600.db2.gz	HGPNOWXARKUYRE-DNVCBOLYSA-N	1	1	370.478	2.203	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1C#N	ZINC000311937121	553755601	/nfs/dbraw/zinc/75/56/01/553755601.db2.gz	HGPNOWXARKUYRE-DNVCBOLYSA-N	1	1	370.478	2.203	20	30		FEEDMO
C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000326684127	553782506	/nfs/dbraw/zinc/78/25/06/553782506.db2.gz	IGDIEFURGZFPLI-DOTOQJQBSA-N	1	1	350.484	2.347	20	30		FEEDMO
C[C@H](O)C[C@H]1CCCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000326684127	553782509	/nfs/dbraw/zinc/78/25/09/553782509.db2.gz	IGDIEFURGZFPLI-DOTOQJQBSA-N	1	1	350.484	2.347	20	30		FEEDMO
O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NCC1(N2CCOCC2)CC1	ZINC000328597945	553794734	/nfs/dbraw/zinc/79/47/34/553794734.db2.gz	ATSBLUQNVIZRMK-SFHVURJKSA-N	1	1	364.534	2.152	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000328727278	553813049	/nfs/dbraw/zinc/81/30/49/553813049.db2.gz	VBHPTBNQHXZQPE-QZTJIDSGSA-N	1	1	364.534	2.355	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC(=O)NC23CCC3)C[C@@H](C)O1	ZINC000328731278	553813416	/nfs/dbraw/zinc/81/34/16/553813416.db2.gz	GNELUXAAUFKULW-RBSFLKMASA-N	1	1	366.506	2.419	20	30		FEEDMO
Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CCO2)n1	ZINC000328748637	553815885	/nfs/dbraw/zinc/81/58/85/553815885.db2.gz	QNUCKIRBQQXRCP-KFWWJZLASA-N	1	1	350.488	2.366	20	30		FEEDMO
Cn1cc[nH+]c1N1CCC(NC(=O)c2coc(C3CCOCC3)n2)CC1	ZINC000328745088	553816045	/nfs/dbraw/zinc/81/60/45/553816045.db2.gz	KSLXMDAEVSMLGN-UHFFFAOYSA-N	1	1	359.430	2.276	20	30		FEEDMO
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N1CC[NH+]2CCC1CC2)C1CCCCC1	ZINC000328755093	553817073	/nfs/dbraw/zinc/81/70/73/553817073.db2.gz	FCFNLUVXXHPKGW-GOSISDBHSA-N	1	1	373.501	2.164	20	30		FEEDMO
C[C@H](CNC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)[N@@H+](C)C1CC1	ZINC000328773469	553820222	/nfs/dbraw/zinc/82/02/22/553820222.db2.gz	HLEYKAYDUMTWJK-CJNGLKHVSA-N	1	1	373.453	2.250	20	30		FEEDMO
CC[N@H+]1CC[C@H]2OCCN(CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)[C@H]2C1	ZINC000328796578	553823543	/nfs/dbraw/zinc/82/35/43/553823543.db2.gz	UYWJMMMROBVLHG-WCXIOVBPSA-N	1	1	366.506	2.231	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCO[C@@H]2C2CC2)C[C@@H](C)O1	ZINC000328823479	553828481	/nfs/dbraw/zinc/82/84/81/553828481.db2.gz	GRYFTMIBFGWGRH-AGTSVGGPSA-N	1	1	351.491	2.042	20	30		FEEDMO
Cn1cc[nH+]c1N1CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1	ZINC000328843632	553831437	/nfs/dbraw/zinc/83/14/37/553831437.db2.gz	QQWOAOBHCKPDKA-UHFFFAOYSA-N	1	1	360.487	2.166	20	30		FEEDMO
CN(C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000328891335	553839942	/nfs/dbraw/zinc/83/99/42/553839942.db2.gz	SHSWKVZCYRFCAA-DLBZAZTESA-N	1	1	371.547	2.064	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@H]1C	ZINC000328977539	553857543	/nfs/dbraw/zinc/85/75/43/553857543.db2.gz	QLDXAXSMRQAYNO-SJORKVTESA-N	1	1	359.518	2.375	20	30		FEEDMO
CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCN(Cc3ccccn3)CC2)C[C@H]1C	ZINC000328977539	553857544	/nfs/dbraw/zinc/85/75/44/553857544.db2.gz	QLDXAXSMRQAYNO-SJORKVTESA-N	1	1	359.518	2.375	20	30		FEEDMO
O=C(CN1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)NC1CC[NH+](C2CC2)CC1	ZINC000328986783	553859222	/nfs/dbraw/zinc/85/92/22/553859222.db2.gz	RGMOGMJENDTTBJ-DNVCBOLYSA-N	1	1	374.529	2.045	20	30		FEEDMO
CC(C)Oc1cccc(CNC(=O)CN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1	ZINC000329009920	553863840	/nfs/dbraw/zinc/86/38/40/553863840.db2.gz	HSTXLEYGEKSWQA-RBUKOAKNSA-N	1	1	361.486	2.335	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](c2nc(C)no2)C2CCOCC2)C1	ZINC000329110135	553881993	/nfs/dbraw/zinc/88/19/93/553881993.db2.gz	GFICBXGEXKTBRT-ZBFHGGJFSA-N	1	1	365.478	2.081	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)C1	ZINC000329135717	553886766	/nfs/dbraw/zinc/88/67/66/553886766.db2.gz	QRHALFJFDWPESB-RMJJICAUSA-N	1	1	367.534	2.273	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000506208673	561693321	/nfs/dbraw/zinc/69/33/21/561693321.db2.gz	IUGCDQZFIJFYIT-BEFAXECRSA-N	1	1	351.491	2.485	20	30		FEEDMO
CNC(=O)[C@H]1C[N@H+](Cc2csc(NC(C)=O)n2)C[C@@H]1c1cnn(C)c1	ZINC000329137332	553887594	/nfs/dbraw/zinc/88/75/94/553887594.db2.gz	RIZHQZCIHXSFHJ-KGLIPLIRSA-N	1	1	362.459	2.286	20	30		FEEDMO
CNC(=O)[C@H]1C[N@@H+](Cc2csc(NC(C)=O)n2)C[C@@H]1c1cnn(C)c1	ZINC000329137332	553887595	/nfs/dbraw/zinc/88/75/95/553887595.db2.gz	RIZHQZCIHXSFHJ-KGLIPLIRSA-N	1	1	362.459	2.286	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1	ZINC000329149585	553889725	/nfs/dbraw/zinc/88/97/25/553889725.db2.gz	QTUHSRRQPMDOKZ-LMMKCTJWSA-N	1	1	353.507	2.339	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(c2ccc3nncn3n2)CC1	ZINC000329178464	553896730	/nfs/dbraw/zinc/89/67/30/553896730.db2.gz	CQZAOATXBDQCAA-INIZCTEOSA-N	1	1	371.489	2.172	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC[N@H+]1C	ZINC000329195271	553899888	/nfs/dbraw/zinc/89/98/88/553899888.db2.gz	VHIKSNBDLUOQCR-HLLBOEOZSA-N	1	1	350.507	2.249	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1	ZINC000329231670	553907746	/nfs/dbraw/zinc/90/77/46/553907746.db2.gz	KUTBMPBNIHOLRH-DLBZAZTESA-N	1	1	350.507	2.109	20	30		FEEDMO
Cc1ccc(C(=O)N2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1F	ZINC000329272237	553914694	/nfs/dbraw/zinc/91/46/94/553914694.db2.gz	ADHJVLXGUYBHHI-INIZCTEOSA-N	1	1	374.460	2.043	20	30		FEEDMO
CC(C)N1C[C@H](NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1=O	ZINC000329324055	553925135	/nfs/dbraw/zinc/92/51/35/553925135.db2.gz	VJZJGGRTAKQXDN-HRCADAONSA-N	1	1	350.507	2.152	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)C1	ZINC000329338373	553928179	/nfs/dbraw/zinc/92/81/79/553928179.db2.gz	QLJHURFZKIXZHF-FCGDIQPGSA-N	1	1	367.534	2.130	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3nnc(C(C)C)n3C2)C[C@H]1C	ZINC000329353187	553930715	/nfs/dbraw/zinc/93/07/15/553930715.db2.gz	UXHYSMHHXRMGNZ-OAGGEKHMSA-N	1	1	362.522	2.435	20	30		FEEDMO
CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C[C@H]1C	ZINC000329353187	553930717	/nfs/dbraw/zinc/93/07/17/553930717.db2.gz	UXHYSMHHXRMGNZ-OAGGEKHMSA-N	1	1	362.522	2.435	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C[C@H]1C	ZINC000329353187	553930719	/nfs/dbraw/zinc/93/07/19/553930719.db2.gz	UXHYSMHHXRMGNZ-OAGGEKHMSA-N	1	1	362.522	2.435	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCc3nnc(C(C)C)n3C2)C[C@@H]1C	ZINC000329353188	553930841	/nfs/dbraw/zinc/93/08/41/553930841.db2.gz	UXHYSMHHXRMGNZ-XHSDSOJGSA-N	1	1	362.522	2.435	20	30		FEEDMO
CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C[C@@H]1C	ZINC000329353188	553930845	/nfs/dbraw/zinc/93/08/45/553930845.db2.gz	UXHYSMHHXRMGNZ-XHSDSOJGSA-N	1	1	362.522	2.435	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)C[C@@H]1C	ZINC000329353188	553930850	/nfs/dbraw/zinc/93/08/50/553930850.db2.gz	UXHYSMHHXRMGNZ-XHSDSOJGSA-N	1	1	362.522	2.435	20	30		FEEDMO
CC(C)[N@@H+]1CCc2nc(NC(=O)C[C@H]3CCS(=O)(=O)C3)sc2C1	ZINC000329357754	553931836	/nfs/dbraw/zinc/93/18/36/553931836.db2.gz	AQLNQHLFFJUEGG-LLVKDONJSA-N	1	1	357.501	2.322	20	30		FEEDMO
CC(C)[N@H+]1CCc2nc(NC(=O)C[C@H]3CCS(=O)(=O)C3)sc2C1	ZINC000329357754	553931837	/nfs/dbraw/zinc/93/18/37/553931837.db2.gz	AQLNQHLFFJUEGG-LLVKDONJSA-N	1	1	357.501	2.322	20	30		FEEDMO
C[N@@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@@H]1Cc1ccccc1	ZINC000329384753	553935989	/nfs/dbraw/zinc/93/59/89/553935989.db2.gz	POCUZMIBLKGXRB-SVFBPWRDSA-N	1	1	373.497	2.097	20	30		FEEDMO
C[N@H+]1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C[C@@H]1Cc1ccccc1	ZINC000329384753	553935992	/nfs/dbraw/zinc/93/59/92/553935992.db2.gz	POCUZMIBLKGXRB-SVFBPWRDSA-N	1	1	373.497	2.097	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1	ZINC000329430503	553945126	/nfs/dbraw/zinc/94/51/26/553945126.db2.gz	HLZRAGPTKBNYST-HCXYKTFWSA-N	1	1	367.534	2.273	20	30		FEEDMO
CO[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC[C@H]1C	ZINC000329432859	553946109	/nfs/dbraw/zinc/94/61/09/553946109.db2.gz	IHXBKHXVFFIIHW-CYGHRXIMSA-N	1	1	363.506	2.074	20	30		FEEDMO
CC1CCC(N2C[C@@H](C(=O)NCC[NH+]3CCSCC3)CC2=O)CC1	ZINC000329434555	553946683	/nfs/dbraw/zinc/94/66/83/553946683.db2.gz	LFXSFWADUUQJCA-PCKAHOCUSA-N	1	1	353.532	2.419	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1	ZINC000506683291	561705683	/nfs/dbraw/zinc/70/56/83/561705683.db2.gz	QIDUXLIOXAOMKM-KRWDZBQOSA-N	1	1	351.454	2.466	20	30		FEEDMO
Cc1noc([C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C2CCOCC2)n1	ZINC000329535514	553963439	/nfs/dbraw/zinc/96/34/39/553963439.db2.gz	ZKSSLGOSTXNDQZ-GDBMZVCRSA-N	1	1	365.478	2.033	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)[C@]12CCCO2	ZINC000329603987	553975603	/nfs/dbraw/zinc/97/56/03/553975603.db2.gz	YRQXPPWURAXYLG-OGJJZOIMSA-N	1	1	353.507	2.432	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1	ZINC000329669036	553986079	/nfs/dbraw/zinc/98/60/79/553986079.db2.gz	MCUOKZPMHILBIU-HZPDHXFCSA-N	1	1	374.485	2.258	20	30		FEEDMO
C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)N[C@H]1CCOC2(CCCC2)C1	ZINC000329675773	553986679	/nfs/dbraw/zinc/98/66/79/553986679.db2.gz	UNKJXJJSXNJOGW-IXDOHACOSA-N	1	1	351.491	2.187	20	30		FEEDMO
C[C@H](NC(=O)N1CCS(=O)(=O)C(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000329778966	554004237	/nfs/dbraw/zinc/00/42/37/554004237.db2.gz	QPSJBFZMEIUJKI-GJZGRUSLSA-N	1	1	371.547	2.062	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)CC[N@H+]1C	ZINC000329792484	554006923	/nfs/dbraw/zinc/00/69/23/554006923.db2.gz	AFBWWXLVIOARFX-AEFFLSMTSA-N	1	1	364.534	2.498	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)CC[N@H+]1C	ZINC000329803284	554008462	/nfs/dbraw/zinc/00/84/62/554008462.db2.gz	LCPRATNMPWPSOJ-SJLPKXTDSA-N	1	1	364.534	2.498	20	30		FEEDMO
O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329806724	554009832	/nfs/dbraw/zinc/00/98/32/554009832.db2.gz	BEIMUKFDPJRSDE-KZNAEPCWSA-N	1	1	356.470	2.473	20	30		FEEDMO
CCc1nc2n(n1)CCC[C@H]2NC(=O)C1CC[NH+](Cc2nccn2C)CC1	ZINC000329836917	554015646	/nfs/dbraw/zinc/01/56/46/554015646.db2.gz	LWEYWLGKURYHTQ-OAHLLOKOSA-N	1	1	371.489	2.278	20	30		FEEDMO
CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2C[C@H](OC)CN2C(C)=O)C1	ZINC000329888874	554025129	/nfs/dbraw/zinc/02/51/29/554025129.db2.gz	ZMROKFFTYMKLRX-YESZJQIVSA-N	1	1	353.507	2.479	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CC(=O)N(C)C2)C1	ZINC000329912707	554029384	/nfs/dbraw/zinc/02/93/84/554029384.db2.gz	BKMXSBWIBPMJPI-QAPCUYQASA-N	1	1	358.486	2.153	20	30		FEEDMO
CC(C)[C@H](C)NC(=O)C1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000507354797	561725902	/nfs/dbraw/zinc/72/59/02/561725902.db2.gz	DYCBOIVSWZLJEM-INIZCTEOSA-N	1	1	370.497	2.047	20	30		FEEDMO
C[C@H](NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1)C1=CC[N@@H+](C)CC1	ZINC000329941440	554036360	/nfs/dbraw/zinc/03/63/60/554036360.db2.gz	GQKLYXZSDVCKBM-GDIGMMSISA-N	1	1	357.454	2.192	20	30		FEEDMO
CN1CCO[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]21	ZINC000329964491	554040300	/nfs/dbraw/zinc/04/03/00/554040300.db2.gz	QOFTVZOAFLBVKJ-LSDHHAIUSA-N	1	1	360.483	2.101	20	30		FEEDMO
Cc1cccc(CC2(O)CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)c1	ZINC000329991163	554045618	/nfs/dbraw/zinc/04/56/18/554045618.db2.gz	JQFYYGJNFOXHBG-SFHVURJKSA-N	1	1	368.481	2.490	20	30		FEEDMO
CC[C@H](CNC(=O)NC[C@]1(O)CCSC1)[N@H+]1CCc2ccccc2C1	ZINC000330011858	554049239	/nfs/dbraw/zinc/04/92/39/554049239.db2.gz	JPCPUPIXLJSNFJ-IEBWSBKVSA-N	1	1	363.527	2.195	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)[C@]12CCCO2	ZINC000330014854	554049824	/nfs/dbraw/zinc/04/98/24/554049824.db2.gz	NJEOKFMWDRRWIH-QMTMVMCOSA-N	1	1	373.457	2.254	20	30		FEEDMO
C[C@H](CNC(=O)N1CCC(O[C@H]2CCOC2)CC1)[N@H+]1CCC[C@@H](C)C1	ZINC000330043310	554054057	/nfs/dbraw/zinc/05/40/57/554054057.db2.gz	AEENAESOAFCXIG-NUJGCVRESA-N	1	1	353.507	2.291	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)CC1	ZINC000330044919	554054078	/nfs/dbraw/zinc/05/40/78/554054078.db2.gz	HWCCSXNCBWZCKO-VQIMIIECSA-N	1	1	374.485	2.319	20	30		FEEDMO
CN(C(=O)CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CCCCC1	ZINC000330141002	554072617	/nfs/dbraw/zinc/07/26/17/554072617.db2.gz	PTTXVVOIRBDGDB-WBVHZDCISA-N	1	1	350.507	2.108	20	30		FEEDMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N[C@@H]1CCCc2c[nH]nc21	ZINC000330161991	554076197	/nfs/dbraw/zinc/07/61/97/554076197.db2.gz	UGVSEVSPYFDRGT-GOSISDBHSA-N	1	1	369.469	2.323	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC(=O)N(CC(F)(F)F)C2)C1	ZINC000330193746	554082583	/nfs/dbraw/zinc/08/25/83/554082583.db2.gz	YSSIXHCOTSRBFE-LBPRGKRZSA-N	1	1	364.412	2.075	20	30		FEEDMO
CCN(CC(=O)NC(C)C)C(=O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1	ZINC000507714637	561738676	/nfs/dbraw/zinc/73/86/76/561738676.db2.gz	CJBLIWFBCMLNMD-INIZCTEOSA-N	1	1	358.486	2.314	20	30		FEEDMO
CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1	ZINC000507714637	561738677	/nfs/dbraw/zinc/73/86/77/561738677.db2.gz	CJBLIWFBCMLNMD-INIZCTEOSA-N	1	1	358.486	2.314	20	30		FEEDMO
CC(C)c1nc([C@@H]2CCCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C2)no1	ZINC000330243166	554091678	/nfs/dbraw/zinc/09/16/78/554091678.db2.gz	CMTPQWGEDQKHIA-ZIAGYGMSSA-N	1	1	358.446	2.498	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CCC3)C2)C[C@@H]1[NH+]1CCOCC1	ZINC000330256516	554093746	/nfs/dbraw/zinc/09/37/46/554093746.db2.gz	KSGQNSWYDXHZEY-ZACQAIPSSA-N	1	1	351.491	2.045	20	30		FEEDMO
O=C(Cn1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)cn1)NC1CC1	ZINC000330299133	554101786	/nfs/dbraw/zinc/10/17/86/554101786.db2.gz	HUYRQRHBVIONMQ-MRXNPFEDSA-N	1	1	361.446	2.233	20	30		FEEDMO
CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1	ZINC000330297889	554101807	/nfs/dbraw/zinc/10/18/07/554101807.db2.gz	LERREQJLVNAPLT-IEZWGBDMSA-N	1	1	361.490	2.236	20	30		FEEDMO
CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1	ZINC000330372941	554112338	/nfs/dbraw/zinc/11/23/38/554112338.db2.gz	KQWDTFYGDSFCEF-LBPRGKRZSA-N	1	1	361.389	2.340	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1	ZINC000330372941	554112340	/nfs/dbraw/zinc/11/23/40/554112340.db2.gz	KQWDTFYGDSFCEF-LBPRGKRZSA-N	1	1	361.389	2.340	20	30		FEEDMO
C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(F)cc2Br)CC1	ZINC000330544458	554135955	/nfs/dbraw/zinc/13/59/55/554135955.db2.gz	OJOVJWKFBCMZQX-UHFFFAOYSA-N	1	1	372.238	2.057	20	30		FEEDMO
C[C@@H]1CN(C(=O)CNC(=O)c2cccc(Br)c2)[C@@H](C)C[N@H+]1C	ZINC000330566236	554139145	/nfs/dbraw/zinc/13/91/45/554139145.db2.gz	AULMAHZWQTWALN-NEPJUHHUSA-N	1	1	368.275	2.305	20	30		FEEDMO
CC(C)(C)C(=O)N1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C(C)(C)C1	ZINC000330688469	554157434	/nfs/dbraw/zinc/15/74/34/554157434.db2.gz	OFWAVHZZOMSXJD-QGZVFWFLSA-N	1	1	373.497	2.267	20	30		FEEDMO
CC(C)(C)C(=O)N1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C(C)(C)C1	ZINC000330688469	554157436	/nfs/dbraw/zinc/15/74/36/554157436.db2.gz	OFWAVHZZOMSXJD-QGZVFWFLSA-N	1	1	373.497	2.267	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1C(F)F	ZINC000330707391	554160909	/nfs/dbraw/zinc/16/09/09/554160909.db2.gz	PUNFPUAFHLZROX-OLZOCXBDSA-N	1	1	373.448	2.409	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1C(F)F	ZINC000330707391	554160910	/nfs/dbraw/zinc/16/09/10/554160910.db2.gz	PUNFPUAFHLZROX-OLZOCXBDSA-N	1	1	373.448	2.409	20	30		FEEDMO
O=C(CC[N@H+]1CCO[C@@H](C2CCCCC2)C1)NC(=O)NCC(F)(F)F	ZINC000330899397	554185286	/nfs/dbraw/zinc/18/52/86/554185286.db2.gz	VTZJAVJTZXYXTN-CYBMUJFWSA-N	1	1	365.396	2.250	20	30		FEEDMO
CCC1(CC)CCC(NC(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1	ZINC000331030963	554203542	/nfs/dbraw/zinc/20/35/42/554203542.db2.gz	ZHRJMJCTTGNYPH-UHFFFAOYSA-N	1	1	352.523	2.449	20	30		FEEDMO
Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CCC(O)(C(F)F)CC2)c(C)c1	ZINC000331149661	554222036	/nfs/dbraw/zinc/22/20/36/554222036.db2.gz	NHMCGCGBJMOUNM-ZDUSSCGKSA-N	1	1	369.412	2.446	20	30		FEEDMO
CCCNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C1	ZINC000331316834	554246582	/nfs/dbraw/zinc/24/65/82/554246582.db2.gz	JHYMHXCNLWOMSK-CVEARBPZSA-N	1	1	352.523	2.259	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC1	ZINC000331437748	554264945	/nfs/dbraw/zinc/26/49/45/554264945.db2.gz	BATZEOFRXLIFRQ-KRWDZBQOSA-N	1	1	374.529	2.252	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)c1C#N	ZINC000509049922	561782798	/nfs/dbraw/zinc/78/27/98/561782798.db2.gz	UIFUUWKAJUVZTL-KPZWWZAWSA-N	1	1	370.428	2.356	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2C[C@H](C)[C@H](O)C2)c1C#N	ZINC000509049922	561782800	/nfs/dbraw/zinc/78/28/00/561782800.db2.gz	UIFUUWKAJUVZTL-KPZWWZAWSA-N	1	1	370.428	2.356	20	30		FEEDMO
CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1	ZINC000331743756	554320063	/nfs/dbraw/zinc/32/00/63/554320063.db2.gz	YAYBORREGDTNJN-OAQYLSRUSA-N	1	1	355.482	2.437	20	30		FEEDMO
CNc1cc2c(nn1)CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2	ZINC000609270511	554354738	/nfs/dbraw/zinc/35/47/38/554354738.db2.gz	OFIIZXZTTGWLDU-UHFFFAOYSA-N	1	1	370.844	2.430	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2ccco2)CC1	ZINC000332022460	554365372	/nfs/dbraw/zinc/36/53/72/554365372.db2.gz	GITKLBYYRABEFN-MSOLQXFVSA-N	1	1	358.486	2.499	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCC[C@@H]2c2ccco2)CC1	ZINC000332022460	554365375	/nfs/dbraw/zinc/36/53/75/554365375.db2.gz	GITKLBYYRABEFN-MSOLQXFVSA-N	1	1	358.486	2.499	20	30		FEEDMO
C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000332522131	554462356	/nfs/dbraw/zinc/46/23/56/554462356.db2.gz	ZOLWFGXJYPZGOG-TZMCWYRMSA-N	1	1	360.845	2.235	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000332522131	554462357	/nfs/dbraw/zinc/46/23/57/554462357.db2.gz	ZOLWFGXJYPZGOG-TZMCWYRMSA-N	1	1	360.845	2.235	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H]1CCCOC1	ZINC000510158002	561826807	/nfs/dbraw/zinc/82/68/07/561826807.db2.gz	CLBQYJKOMQUTGD-INIZCTEOSA-N	1	1	362.474	2.062	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)[C@H]1CCCOC1	ZINC000510158002	561826809	/nfs/dbraw/zinc/82/68/09/561826809.db2.gz	CLBQYJKOMQUTGD-INIZCTEOSA-N	1	1	362.474	2.062	20	30		FEEDMO
C[C@@](C#N)(NC(=O)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1	ZINC000332687083	554496833	/nfs/dbraw/zinc/49/68/33/554496833.db2.gz	ODBSEGCBCGQYRI-QRWLVFNGSA-N	1	1	355.486	2.207	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[nH]1	ZINC000610561130	554528783	/nfs/dbraw/zinc/52/87/83/554528783.db2.gz	PPTLJFXAJWZLFB-CYBMUJFWSA-N	1	1	358.471	2.387	20	30		FEEDMO
CC[NH+](CC)[C@H](CNC(=O)N=c1[nH]n(C)cc1C#N)Cc1ccccc1	ZINC000610563719	554530186	/nfs/dbraw/zinc/53/01/86/554530186.db2.gz	KGLRUGJHIUEHLC-KRWDZBQOSA-N	1	1	354.458	2.366	20	30		FEEDMO
C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000333421362	554611701	/nfs/dbraw/zinc/61/17/01/554611701.db2.gz	LYAKNZRNNYZSCW-GUYCJALGSA-N	1	1	351.447	2.086	20	30		FEEDMO
C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000333421362	554611703	/nfs/dbraw/zinc/61/17/03/554611703.db2.gz	LYAKNZRNNYZSCW-GUYCJALGSA-N	1	1	351.447	2.086	20	30		FEEDMO
C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000333421361	554611705	/nfs/dbraw/zinc/61/17/05/554611705.db2.gz	LYAKNZRNNYZSCW-DYVFJYSZSA-N	1	1	351.447	2.086	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000333421361	554611706	/nfs/dbraw/zinc/61/17/06/554611706.db2.gz	LYAKNZRNNYZSCW-DYVFJYSZSA-N	1	1	351.447	2.086	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](n2ccnn2)C1	ZINC000333456976	554615019	/nfs/dbraw/zinc/61/50/19/554615019.db2.gz	ZTLPIDXPUYSSOO-DHADLLTHSA-N	1	1	358.490	2.234	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](n2ccnn2)C1	ZINC000333456976	554615021	/nfs/dbraw/zinc/61/50/21/554615021.db2.gz	ZTLPIDXPUYSSOO-DHADLLTHSA-N	1	1	358.490	2.234	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N=c1[nH]n(C)cc1C#N	ZINC000611228306	554617466	/nfs/dbraw/zinc/61/74/66/554617466.db2.gz	KFZARVIBXFUOSS-LSDHHAIUSA-N	1	1	352.442	2.418	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N=c1[nH]n(C)cc1C#N	ZINC000611228306	554617467	/nfs/dbraw/zinc/61/74/67/554617467.db2.gz	KFZARVIBXFUOSS-LSDHHAIUSA-N	1	1	352.442	2.418	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)C1=O	ZINC000334040739	554671680	/nfs/dbraw/zinc/67/16/80/554671680.db2.gz	OILRUMOQVOIAHP-HZPDHXFCSA-N	1	1	372.494	2.202	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](N3CCCC3=O)CC2)C1=O	ZINC000334040739	554671681	/nfs/dbraw/zinc/67/16/81/554671681.db2.gz	OILRUMOQVOIAHP-HZPDHXFCSA-N	1	1	372.494	2.202	20	30		FEEDMO
CN1CC[N@H+](C)C[C@H]1c1noc(-c2cc(-c3cccc(C#N)c3)no2)n1	ZINC000350055765	554757570	/nfs/dbraw/zinc/75/75/70/554757570.db2.gz	ZHNGRVLFKYQFRL-HNNXBMFYSA-N	1	1	350.382	2.182	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1c1noc(-c2cc(-c3cccc(C#N)c3)no2)n1	ZINC000350055765	554757573	/nfs/dbraw/zinc/75/75/73/554757573.db2.gz	ZHNGRVLFKYQFRL-HNNXBMFYSA-N	1	1	350.382	2.182	20	30		FEEDMO
Cc1noc(C2(C)CC[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)n1	ZINC000360435932	554874608	/nfs/dbraw/zinc/87/46/08/554874608.db2.gz	JATKHMKSFANROL-KRWDZBQOSA-N	1	1	365.437	2.409	20	30		FEEDMO
COCC[N@H+]1CCCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1	ZINC000362143062	554952647	/nfs/dbraw/zinc/95/26/47/554952647.db2.gz	SODQUCIHAJRGMR-IBGZPJMESA-N	1	1	359.470	2.142	20	30		FEEDMO
N#CCOc1cccc(CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1	ZINC000362414913	554970817	/nfs/dbraw/zinc/97/08/17/554970817.db2.gz	XXJVVAYXPZVSIN-XVAYZXCPSA-N	1	1	361.445	2.378	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000363006407	555008290	/nfs/dbraw/zinc/00/82/90/555008290.db2.gz	HQQHLQNYJDOLHX-HOTGVXAUSA-N	1	1	370.453	2.027	20	30		FEEDMO
CN(C(=O)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1)c1ccccc1	ZINC000363209866	555054414	/nfs/dbraw/zinc/05/44/14/555054414.db2.gz	WTCPMXQDKBQELC-NRFANRHFSA-N	1	1	368.481	2.170	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[N@H+]2CCC[C@H]2C1	ZINC000363336484	555080568	/nfs/dbraw/zinc/08/05/68/555080568.db2.gz	FTRDEGXKJFBOPD-AWEZNQCLSA-N	1	1	373.400	2.436	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000363390186	555092993	/nfs/dbraw/zinc/09/29/93/555092993.db2.gz	IPFXEMDCTFJKJE-QGZVFWFLSA-N	1	1	357.502	2.479	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cnc3ccccc32)C1	ZINC000363510333	555123733	/nfs/dbraw/zinc/12/37/33/555123733.db2.gz	NKOVAQDZEBFIRV-CABCVRRESA-N	1	1	355.442	2.074	20	30		FEEDMO
N#Cc1ccnc(NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1[N+](=O)[O-]	ZINC000363890475	555207951	/nfs/dbraw/zinc/20/79/51/555207951.db2.gz	OSVQPOUPSWZHOS-HNNXBMFYSA-N	1	1	352.398	2.581	20	30		FEEDMO
COc1cccc(C2=CC[N@H+](CC(=O)N(CCC#N)CCC#N)CC2)c1	ZINC000364052392	555241157	/nfs/dbraw/zinc/24/11/57/555241157.db2.gz	BWBUEFTYAWRFGW-UHFFFAOYSA-N	1	1	352.438	2.440	20	30		FEEDMO
COc1cccc(C2=CC[N@@H+](CC(=O)N(CCC#N)CCC#N)CC2)c1	ZINC000364052392	555241159	/nfs/dbraw/zinc/24/11/59/555241159.db2.gz	BWBUEFTYAWRFGW-UHFFFAOYSA-N	1	1	352.438	2.440	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000364161500	555260895	/nfs/dbraw/zinc/26/08/95/555260895.db2.gz	MNRPXKVSJFCGBR-MJGOQNOKSA-N	1	1	359.470	2.256	20	30		FEEDMO
C=CCN(C(=O)N[C@H](C)C[S@](C)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364277636	555282992	/nfs/dbraw/zinc/28/29/92/555282992.db2.gz	CZKCPUWLPNIJAC-QDKQFYOWSA-N	1	1	363.527	2.226	20	30		FEEDMO
C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)COC1CCOCC1	ZINC000512548227	561908760	/nfs/dbraw/zinc/90/87/60/561908760.db2.gz	ZDZVQFUIYNJCTN-SFHVURJKSA-N	1	1	351.491	2.399	20	30		FEEDMO
C[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(C#N)cc1F	ZINC000512615638	561910417	/nfs/dbraw/zinc/91/04/17/561910417.db2.gz	ZVZGUMNGFWTZCR-CQSZACIVSA-N	1	1	361.442	2.468	20	30		FEEDMO
CCc1nccc([C@H]2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)n1	ZINC000364758933	555395357	/nfs/dbraw/zinc/39/53/57/555395357.db2.gz	LFJBUCIEJSQGEM-SFHVURJKSA-N	1	1	363.465	2.406	20	30		FEEDMO
CCc1nccc([C@H]2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)n1	ZINC000364758933	555395361	/nfs/dbraw/zinc/39/53/61/555395361.db2.gz	LFJBUCIEJSQGEM-SFHVURJKSA-N	1	1	363.465	2.406	20	30		FEEDMO
C[C@@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)cn1C	ZINC000364857442	555416655	/nfs/dbraw/zinc/41/66/55/555416655.db2.gz	WOROMBZKUJBFPF-JXFKEZNVSA-N	1	1	366.465	2.258	20	30		FEEDMO
C[C@@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1cc(C#N)cn1C	ZINC000364857442	555416660	/nfs/dbraw/zinc/41/66/60/555416660.db2.gz	WOROMBZKUJBFPF-JXFKEZNVSA-N	1	1	366.465	2.258	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[C@H]1c1cccs1	ZINC000512764184	561914587	/nfs/dbraw/zinc/91/45/87/561914587.db2.gz	BVPDHRTXNSNIGB-WBVHZDCISA-N	1	1	374.510	2.009	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CCN1C1CC1	ZINC000365491974	555589738	/nfs/dbraw/zinc/58/97/38/555589738.db2.gz	POMFKZGLTGHYFQ-CQSZACIVSA-N	1	1	372.379	2.017	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1	ZINC000365746080	555658129	/nfs/dbraw/zinc/65/81/29/555658129.db2.gz	HVMLIRBOLWADCY-YADHBBJMSA-N	1	1	365.521	2.312	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1	ZINC000365746080	555658133	/nfs/dbraw/zinc/65/81/33/555658133.db2.gz	HVMLIRBOLWADCY-YADHBBJMSA-N	1	1	365.521	2.312	20	30		FEEDMO
CCCN1CC[NH+](C2CCN(c3nnc(CC)c(CC)c3C#N)CC2)CC1	ZINC000366086618	555747301	/nfs/dbraw/zinc/74/73/01/555747301.db2.gz	DSCSNOOFLYZVMO-UHFFFAOYSA-N	1	1	370.545	2.469	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000366702568	555913045	/nfs/dbraw/zinc/91/30/45/555913045.db2.gz	OMRQZNRXTPDAMU-VJANTYMQSA-N	1	1	358.486	2.355	20	30		FEEDMO
CCc1nc(CN2C[C@@H]3C[N@H+](CCCC4(C#N)CCOCC4)C[C@@H]3C2)no1	ZINC000366897307	555963130	/nfs/dbraw/zinc/96/31/30/555963130.db2.gz	QEBBEBXDQATYIH-CALCHBBNSA-N	1	1	373.501	2.096	20	30		FEEDMO
N#C[C@H]1C[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000367785118	556138429	/nfs/dbraw/zinc/13/84/29/556138429.db2.gz	VZZGXFJVZXLZGS-ADLFWFRXSA-N	1	1	351.381	2.205	20	30		FEEDMO
N#C[C@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000367785118	556138431	/nfs/dbraw/zinc/13/84/31/556138431.db2.gz	VZZGXFJVZXLZGS-ADLFWFRXSA-N	1	1	351.381	2.205	20	30		FEEDMO
N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)n2)c(F)c1	ZINC000367804528	556143185	/nfs/dbraw/zinc/14/31/85/556143185.db2.gz	UTRYOCPZXWVSRE-GJZGRUSLSA-N	1	1	368.416	2.631	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1OC	ZINC000368008130	556193767	/nfs/dbraw/zinc/19/37/67/556193767.db2.gz	SMUBVAAIBWZSTQ-HZRUHFOJSA-N	1	1	352.381	2.339	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](CN3CCN(C)CC3)C2)cc1	ZINC000368050181	556204531	/nfs/dbraw/zinc/20/45/31/556204531.db2.gz	DEHNLCVKKYLXGG-ICSRJNTNSA-N	1	1	356.514	2.437	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](CN3CCN(C)CC3)C2)cc1	ZINC000368050181	556204534	/nfs/dbraw/zinc/20/45/34/556204534.db2.gz	DEHNLCVKKYLXGG-ICSRJNTNSA-N	1	1	356.514	2.437	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@@H](Cc4ccncc4)C3)C2=O)cc1	ZINC000368076404	556212178	/nfs/dbraw/zinc/21/21/78/556212178.db2.gz	POKBXZQYNDNOEO-HKUYNNGSSA-N	1	1	360.417	2.150	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c1	ZINC000368102255	556219868	/nfs/dbraw/zinc/21/98/68/556219868.db2.gz	XRQGQRSSMSRTLT-SCTDSRPQSA-N	1	1	368.481	2.007	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O	ZINC000368972258	556464113	/nfs/dbraw/zinc/46/41/13/556464113.db2.gz	FZOSHIQGLRCDIP-NXNVCVFFSA-N	1	1	361.511	2.237	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O	ZINC000368972258	556464116	/nfs/dbraw/zinc/46/41/16/556464116.db2.gz	FZOSHIQGLRCDIP-NXNVCVFFSA-N	1	1	361.511	2.237	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1Cl	ZINC000368975634	556464977	/nfs/dbraw/zinc/46/49/77/556464977.db2.gz	RSUSGORMQDKHGK-JDFRZJQESA-N	1	1	360.845	2.126	20	30		FEEDMO
C=CCN(CC=C)C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C	ZINC000369114923	556508885	/nfs/dbraw/zinc/50/88/85/556508885.db2.gz	CFUPTDBQBSZOCO-UHFFFAOYSA-N	1	1	351.454	2.378	20	30		FEEDMO
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNCc1ccc(C#N)cc1	ZINC000369288548	556566163	/nfs/dbraw/zinc/56/61/63/556566163.db2.gz	RNANXXAOGZVZSJ-UHFFFAOYSA-N	1	1	352.486	2.032	20	30		FEEDMO
Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNCc1ccc(C#N)cc1	ZINC000369288548	556566164	/nfs/dbraw/zinc/56/61/64/556566164.db2.gz	RNANXXAOGZVZSJ-UHFFFAOYSA-N	1	1	352.486	2.032	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(O)(Cc2ccc(C)cc2)CC1	ZINC000369376282	556584636	/nfs/dbraw/zinc/58/46/36/556584636.db2.gz	UFAMEDUOZLKDCM-GOSISDBHSA-N	1	1	357.498	2.373	20	30		FEEDMO
Cn1cc([C@@H]2[C@H](CNC(=O)Nc3cccc(C#N)c3)CCC[N@H+]2C)cn1	ZINC000369425941	556597804	/nfs/dbraw/zinc/59/78/04/556597804.db2.gz	YBYOAFAHYGJOQX-YJBOKZPZSA-N	1	1	352.442	2.496	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000369693124	556670303	/nfs/dbraw/zinc/67/03/03/556670303.db2.gz	PUKDVJMXXSCUAO-CQSZACIVSA-N	1	1	374.445	2.159	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CN2CCCC2=O)CC1	ZINC000369816072	556702727	/nfs/dbraw/zinc/70/27/27/556702727.db2.gz	MSULAOVNROAQLJ-HNNXBMFYSA-N	1	1	354.454	2.220	20	30		FEEDMO
Cn1cc(C[C@@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cn1	ZINC000370010453	556756933	/nfs/dbraw/zinc/75/69/33/556756933.db2.gz	MOJCLBPNNGHXSU-ZDUSSCGKSA-N	1	1	357.845	2.448	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c(C#N)c1C	ZINC000370216435	556813121	/nfs/dbraw/zinc/81/31/21/556813121.db2.gz	SDFSIEVOYMYKGA-AWEZNQCLSA-N	1	1	357.483	2.473	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c(C#N)c1C	ZINC000370216435	556813124	/nfs/dbraw/zinc/81/31/24/556813124.db2.gz	SDFSIEVOYMYKGA-AWEZNQCLSA-N	1	1	357.483	2.473	20	30		FEEDMO
CN1CCC[C@@]2(CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)C1=O	ZINC000370410741	556865403	/nfs/dbraw/zinc/86/54/03/556865403.db2.gz	RJHJVRBKYKDWCJ-IBGZPJMESA-N	1	1	351.410	2.053	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)C1	ZINC000370879734	557000142	/nfs/dbraw/zinc/00/01/42/557000142.db2.gz	XZXUPKSGCXJAOQ-WOJBJXKFSA-N	1	1	369.513	2.453	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1Cl	ZINC000371298404	557136670	/nfs/dbraw/zinc/13/66/70/557136670.db2.gz	VKUJQYWRGALCIB-BBRMVZONSA-N	1	1	360.845	2.141	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000518060058	562103496	/nfs/dbraw/zinc/10/34/96/562103496.db2.gz	LQKISTNFOFYOAT-KUHUBIRLSA-N	1	1	353.422	2.479	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000518060058	562103497	/nfs/dbraw/zinc/10/34/97/562103497.db2.gz	LQKISTNFOFYOAT-KUHUBIRLSA-N	1	1	353.422	2.479	20	30		FEEDMO
COC(=O)c1cn([C@H]2CCC[N@@H+](CCCOc3ccc(C#N)cc3)C2)nn1	ZINC000372034415	557362290	/nfs/dbraw/zinc/36/22/90/557362290.db2.gz	WQYYYQXGDZYZSF-INIZCTEOSA-N	1	1	369.425	2.042	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](Cc3nnc4ccccn43)C2)cc1	ZINC000372048651	557366504	/nfs/dbraw/zinc/36/65/04/557366504.db2.gz	KTJLELQWYKXKEL-QGZVFWFLSA-N	1	1	374.448	2.494	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000518835954	562119640	/nfs/dbraw/zinc/11/96/40/562119640.db2.gz	UCQSTGSSFSKEQO-IRXDYDNUSA-N	1	1	373.476	2.450	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1	ZINC000372341371	557444858	/nfs/dbraw/zinc/44/48/58/557444858.db2.gz	BITKPIWRBIMZTF-IEBWSBKVSA-N	1	1	356.470	2.373	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c(C#N)c1C	ZINC000372557622	557504370	/nfs/dbraw/zinc/50/43/70/557504370.db2.gz	NWRQPKRXQKLJAF-GOSISDBHSA-N	1	1	360.483	2.119	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c(C#N)c1C	ZINC000372557622	557504371	/nfs/dbraw/zinc/50/43/71/557504371.db2.gz	NWRQPKRXQKLJAF-GOSISDBHSA-N	1	1	360.483	2.119	20	30		FEEDMO
C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)C(=O)N1c2ccccc2C[C@@H]1C	ZINC000519551670	562134536	/nfs/dbraw/zinc/13/45/36/562134536.db2.gz	VCNZEDZGFRWKQV-UONOGXRCSA-N	1	1	360.421	2.057	20	30		FEEDMO
N#Cc1cccc(CNC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000372728953	557548320	/nfs/dbraw/zinc/54/83/20/557548320.db2.gz	JZAGAZPNEVRTEM-QUCCMNQESA-N	1	1	352.482	2.123	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1cccc(OCC#N)c1	ZINC000372863201	557578039	/nfs/dbraw/zinc/57/80/39/557578039.db2.gz	MNYJYVXIFRXMDB-AHRSYUTCSA-N	1	1	371.481	2.137	20	30		FEEDMO
COc1cc[nH+]c(N2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1	ZINC000519714338	562141138	/nfs/dbraw/zinc/14/11/38/562141138.db2.gz	ZWWQKXNJRNZYCS-UHFFFAOYSA-N	1	1	353.382	2.192	20	30		FEEDMO
N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000372989267	557604595	/nfs/dbraw/zinc/60/45/95/557604595.db2.gz	JAZFTZLLNZYSBA-KRWDZBQOSA-N	1	1	370.478	2.144	20	30		FEEDMO
C=CC[N@@H+](C[C@@H](O)COC(C)(C)C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000520195993	562150394	/nfs/dbraw/zinc/15/03/94/562150394.db2.gz	UBEDMFBUWOPHKA-CRAIPNDOSA-N	1	1	359.474	2.387	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ncc(-c2ccc(C#N)cc2)o1	ZINC000373438551	557693554	/nfs/dbraw/zinc/69/35/54/557693554.db2.gz	HABWOHIMCYFZKC-HNNXBMFYSA-N	1	1	354.454	2.490	20	30		FEEDMO
C[C@H](CO)[N@H+]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1	ZINC000373734098	557747681	/nfs/dbraw/zinc/74/76/81/557747681.db2.gz	PXAJJARBKWHVLG-GOSISDBHSA-N	1	1	367.497	2.352	20	30		FEEDMO
Cc1ccccc1C1(O)CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000374132669	557828949	/nfs/dbraw/zinc/82/89/49/557828949.db2.gz	RNMJNBGMOHYVBV-UHFFFAOYSA-N	1	1	363.461	2.467	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCCc2cccc(C#N)c2)C[C@H](C)O1	ZINC000374265164	557854615	/nfs/dbraw/zinc/85/46/15/557854615.db2.gz	MOROSTARIZMEQS-FUHIMQAGSA-N	1	1	370.497	2.384	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCCc2cccc(C#N)c2)C[C@H](C)O1	ZINC000374265164	557854616	/nfs/dbraw/zinc/85/46/16/557854616.db2.gz	MOROSTARIZMEQS-FUHIMQAGSA-N	1	1	370.497	2.384	20	30		FEEDMO
CN(C(=O)CC[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)c1ccccc1	ZINC000374385037	557876251	/nfs/dbraw/zinc/87/62/51/557876251.db2.gz	KKEFUGOEAIXBEW-AOMKIAJQSA-N	1	1	374.444	2.385	20	30		FEEDMO
CN(C(=O)CC[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)c1ccccc1	ZINC000374385037	557876254	/nfs/dbraw/zinc/87/62/54/557876254.db2.gz	KKEFUGOEAIXBEW-AOMKIAJQSA-N	1	1	374.444	2.385	20	30		FEEDMO
N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cc1	ZINC000374393180	557877937	/nfs/dbraw/zinc/87/79/37/557877937.db2.gz	UYHPQCRKSARIOG-HXUWFJFHSA-N	1	1	371.481	2.334	20	30		FEEDMO
COc1ccc([C@H](O)[C@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)cc1	ZINC000374418858	557881554	/nfs/dbraw/zinc/88/15/54/557881554.db2.gz	FSSGGFBAYYXXLA-HOJAQTOUSA-N	1	1	357.454	2.001	20	30		FEEDMO
COc1ccc([C@H](O)[C@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)cc1	ZINC000374418858	557881555	/nfs/dbraw/zinc/88/15/55/557881555.db2.gz	FSSGGFBAYYXXLA-HOJAQTOUSA-N	1	1	357.454	2.001	20	30		FEEDMO
Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000375170617	557986814	/nfs/dbraw/zinc/98/68/14/557986814.db2.gz	HUGROVDLDCCMGH-GOSISDBHSA-N	1	1	368.437	2.070	20	30		FEEDMO
Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000375170617	557986816	/nfs/dbraw/zinc/98/68/16/557986816.db2.gz	HUGROVDLDCCMGH-GOSISDBHSA-N	1	1	368.437	2.070	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@]4(C3)C(=O)Nc3ccccc34)C2=O)cc1	ZINC000375316565	558008010	/nfs/dbraw/zinc/00/80/10/558008010.db2.gz	ADXAAFIPVWNUPL-KNQAVFIVSA-N	1	1	372.428	2.259	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1	ZINC000375347931	558013333	/nfs/dbraw/zinc/01/33/33/558013333.db2.gz	GLVPNDSJNTYJPJ-UHFFFAOYSA-N	1	1	350.413	2.239	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1	ZINC000375347931	558013335	/nfs/dbraw/zinc/01/33/35/558013335.db2.gz	GLVPNDSJNTYJPJ-UHFFFAOYSA-N	1	1	350.413	2.239	20	30		FEEDMO
COC(=O)c1ccc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C#N)n1	ZINC000521370288	562175061	/nfs/dbraw/zinc/17/50/61/562175061.db2.gz	PAOJSHJHJJCSHT-CALCHBBNSA-N	1	1	362.433	2.308	20	30		FEEDMO
C[C@H]1CC[S@@](=O)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000375413393	558023064	/nfs/dbraw/zinc/02/30/64/558023064.db2.gz	GWJCADDSQYHMOF-DAOPMYJZSA-N	1	1	353.875	2.383	20	30		FEEDMO
C[C@H]1CC[S@@](=O)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000375413393	558023066	/nfs/dbraw/zinc/02/30/66/558023066.db2.gz	GWJCADDSQYHMOF-DAOPMYJZSA-N	1	1	353.875	2.383	20	30		FEEDMO
N#Cc1ccc(N2CCC([NH2+][C@H](c3ncc[nH]3)c3cccnc3)CC2)nc1	ZINC000375534398	558044519	/nfs/dbraw/zinc/04/45/19/558044519.db2.gz	UHACZNAKRXXRCF-IBGZPJMESA-N	1	1	359.437	2.419	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)C1=O	ZINC000375605873	558055962	/nfs/dbraw/zinc/05/59/62/558055962.db2.gz	FVWWXOZXZNEYPZ-DLBZAZTESA-N	1	1	351.454	2.438	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@@H](Nc3cc(OC)cc(OC)c3)C2)C1=O	ZINC000375615551	558057237	/nfs/dbraw/zinc/05/72/37/558057237.db2.gz	ZUDZOFOHGORRRJ-BEFAXECRSA-N	1	1	359.470	2.367	20	30		FEEDMO
CN1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)CC1	ZINC000375737228	558074852	/nfs/dbraw/zinc/07/48/52/558074852.db2.gz	AGYVVKDEJYUGAL-SFHVURJKSA-N	1	1	372.488	2.260	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)CC1	ZINC000375737228	558074853	/nfs/dbraw/zinc/07/48/53/558074853.db2.gz	AGYVVKDEJYUGAL-SFHVURJKSA-N	1	1	372.488	2.260	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1	ZINC000375761237	558078669	/nfs/dbraw/zinc/07/86/69/558078669.db2.gz	VKOUOHODQMOEHB-QZTJIDSGSA-N	1	1	373.453	2.436	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1	ZINC000375761237	558078671	/nfs/dbraw/zinc/07/86/71/558078671.db2.gz	VKOUOHODQMOEHB-QZTJIDSGSA-N	1	1	373.453	2.436	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C[N@H+]1C1CC1	ZINC000376220074	558143422	/nfs/dbraw/zinc/14/34/22/558143422.db2.gz	HTHWBDYVSYYHTN-KBMXLJTQSA-N	1	1	356.445	2.265	20	30		FEEDMO
CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)cc1C#N	ZINC000376965244	558245447	/nfs/dbraw/zinc/24/54/47/558245447.db2.gz	SIWIEDMLSDYUMC-MRXNPFEDSA-N	1	1	360.414	2.174	20	30		FEEDMO
CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)cc1C#N	ZINC000376965244	558245448	/nfs/dbraw/zinc/24/54/48/558245448.db2.gz	SIWIEDMLSDYUMC-MRXNPFEDSA-N	1	1	360.414	2.174	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1	ZINC000377314260	558313030	/nfs/dbraw/zinc/31/30/30/558313030.db2.gz	MTIQIQDOHRQTQJ-UHFFFAOYSA-N	1	1	358.467	2.076	20	30		FEEDMO
Cc1cccc(N2CCC(NS(=O)(=O)Cc3ccc(C#N)cc3)CC2)[nH+]1	ZINC000377395192	558332093	/nfs/dbraw/zinc/33/20/93/558332093.db2.gz	BHSCQHPWTXGSJC-UHFFFAOYSA-N	1	1	370.478	2.350	20	30		FEEDMO
C#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NS(C)(=O)=O)C2)cc1	ZINC000377710233	558403070	/nfs/dbraw/zinc/40/30/70/558403070.db2.gz	WJDSVVYZTHKBLT-INIZCTEOSA-N	1	1	358.467	2.142	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000377717125	558404344	/nfs/dbraw/zinc/40/43/44/558404344.db2.gz	DLAOYMCBJBCOMD-MISYRCLQSA-N	1	1	354.498	2.201	20	30		FEEDMO
CC(C)(C#N)CCS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1	ZINC000377890979	558442683	/nfs/dbraw/zinc/44/26/83/558442683.db2.gz	ZMSIACHQAIYPMD-QGZVFWFLSA-N	1	1	364.515	2.153	20	30		FEEDMO
CC(C)(C#N)CCS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1	ZINC000377890979	558442685	/nfs/dbraw/zinc/44/26/85/558442685.db2.gz	ZMSIACHQAIYPMD-QGZVFWFLSA-N	1	1	364.515	2.153	20	30		FEEDMO
N#Cc1cccc(OC2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)c1	ZINC000377987862	558458495	/nfs/dbraw/zinc/45/84/95/558458495.db2.gz	NAKDSPCZOSDTQV-UHFFFAOYSA-N	1	1	365.437	2.233	20	30		FEEDMO
CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)Cc1ccc(C#N)cc1	ZINC000522881044	562205350	/nfs/dbraw/zinc/20/53/50/562205350.db2.gz	FVKTWBRJDZMAAK-LJQANCHMSA-N	1	1	371.481	2.367	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[N@H+](C2CCOCC2)CC1	ZINC000378166799	558494628	/nfs/dbraw/zinc/49/46/28/558494628.db2.gz	FANJXHWDEUYTTR-UHFFFAOYSA-N	1	1	371.481	2.429	20	30		FEEDMO
C=CCN(C(=O)[C@@H](O)c1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000378318447	558528750	/nfs/dbraw/zinc/52/87/50/558528750.db2.gz	UVRUCSWRMWCVEJ-PMACEKPBSA-N	1	1	351.450	2.404	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1	ZINC000378447077	558559298	/nfs/dbraw/zinc/55/92/98/558559298.db2.gz	ACPLNFVRSGLZCY-YJBOKZPZSA-N	1	1	357.454	2.133	20	30		FEEDMO
CCCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000523607391	562215917	/nfs/dbraw/zinc/21/59/17/562215917.db2.gz	XIJMOINCYXXOBE-GJYPPUQNSA-N	1	1	350.507	2.058	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C[C@H]21	ZINC000408032137	558639916	/nfs/dbraw/zinc/63/99/16/558639916.db2.gz	ZYZPFAZXUKEZNC-WOJBJXKFSA-N	1	1	365.481	2.393	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)CC1	ZINC000408287611	558664250	/nfs/dbraw/zinc/66/42/50/558664250.db2.gz	SNSIFEFOPMPAKO-SFHVURJKSA-N	1	1	355.486	2.032	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CN(c3c(C#N)cnc4c(Br)cccc43)C[C@H]21	ZINC000408424798	558676060	/nfs/dbraw/zinc/67/60/60/558676060.db2.gz	XRBIELYITRWIKT-HUUCEWRRSA-N	1	1	373.254	2.388	20	30		FEEDMO
C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC[N@@H+]1C	ZINC000409511385	558699397	/nfs/dbraw/zinc/69/93/97/558699397.db2.gz	FEYJJTKCVHCJKL-HZMBPMFUSA-N	1	1	361.389	2.338	20	30		FEEDMO
C[C@H]1[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CCC[N@H+]1C	ZINC000409511385	558699399	/nfs/dbraw/zinc/69/93/99/558699399.db2.gz	FEYJJTKCVHCJKL-HZMBPMFUSA-N	1	1	361.389	2.338	20	30		FEEDMO
C[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000409636442	558709538	/nfs/dbraw/zinc/70/95/38/558709538.db2.gz	SFXGKRYFASQPRR-MRXNPFEDSA-N	1	1	366.469	2.081	20	30		FEEDMO
C=CCNC(=O)NC(=O)CN(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000524599483	562230966	/nfs/dbraw/zinc/23/09/66/562230966.db2.gz	KJJPNUWDVYHCGE-WMZOPIPTSA-N	1	1	358.486	2.156	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)n1cnc(C#N)n1	ZINC000409777058	558719372	/nfs/dbraw/zinc/71/93/72/558719372.db2.gz	YFZSJARLZQRMBT-GJZGRUSLSA-N	1	1	368.441	2.070	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000410670395	558796865	/nfs/dbraw/zinc/79/68/65/558796865.db2.gz	PXAILSNUXWFTHY-INIZCTEOSA-N	1	1	371.481	2.223	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000410670395	558796866	/nfs/dbraw/zinc/79/68/66/558796866.db2.gz	PXAILSNUXWFTHY-INIZCTEOSA-N	1	1	371.481	2.223	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC[N@@H+]1Cc1ccccc1	ZINC000410922083	558824174	/nfs/dbraw/zinc/82/41/74/558824174.db2.gz	BGVZEKAVIAFSII-PKOBYXMFSA-N	1	1	370.497	2.118	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC[N@H+]1Cc1ccccc1	ZINC000410922083	558824175	/nfs/dbraw/zinc/82/41/75/558824175.db2.gz	BGVZEKAVIAFSII-PKOBYXMFSA-N	1	1	370.497	2.118	20	30		FEEDMO
CN(C)c1noc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)n1	ZINC000411692632	558945468	/nfs/dbraw/zinc/94/54/68/558945468.db2.gz	POPVKQOCZGIZOW-HNNXBMFYSA-N	1	1	368.441	2.215	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1	ZINC000412046874	559006351	/nfs/dbraw/zinc/00/63/51/559006351.db2.gz	UYXPKCVDYCYAPV-SCTDSRPQSA-N	1	1	371.481	2.425	20	30		FEEDMO
COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1	ZINC000412070441	559009585	/nfs/dbraw/zinc/00/95/85/559009585.db2.gz	IINKOFLISMNJDT-CYBMUJFWSA-N	1	1	356.394	2.498	20	30		FEEDMO
COC(=O)[C@H]1CSCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1	ZINC000412070441	559009587	/nfs/dbraw/zinc/00/95/87/559009587.db2.gz	IINKOFLISMNJDT-CYBMUJFWSA-N	1	1	356.394	2.498	20	30		FEEDMO
C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)CN1CCOCC1	ZINC000412093172	559012709	/nfs/dbraw/zinc/01/27/09/559012709.db2.gz	NVVAPNZWQXQSRS-UHFFFAOYSA-N	1	1	355.442	2.151	20	30		FEEDMO
C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)CN1CCOCC1	ZINC000412093172	559012711	/nfs/dbraw/zinc/01/27/11/559012711.db2.gz	NVVAPNZWQXQSRS-UHFFFAOYSA-N	1	1	355.442	2.151	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C[C@H](C)C#N	ZINC000413759028	559129047	/nfs/dbraw/zinc/12/90/47/559129047.db2.gz	HWJMSJPDDVULCP-BHIYHBOVSA-N	1	1	358.486	2.325	20	30		FEEDMO
Cc1cc(S(=O)(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)ccc1C#N	ZINC000414467604	559166250	/nfs/dbraw/zinc/16/62/50/559166250.db2.gz	WPNHZCGDFQOWNK-MOPGFXCFSA-N	1	1	355.463	2.243	20	30		FEEDMO
Cc1cc(S(=O)(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)ccc1C#N	ZINC000414467610	559166265	/nfs/dbraw/zinc/16/62/65/559166265.db2.gz	WPNHZCGDFQOWNK-RTBURBONSA-N	1	1	355.463	2.243	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000527048442	562274549	/nfs/dbraw/zinc/27/45/49/562274549.db2.gz	SRFDRPDFHKGIBF-DLBZAZTESA-N	1	1	368.481	2.079	20	30		FEEDMO
N#Cc1ccc(Cc2cnc(NC(=O)NCC(F)(F)C[NH3+])s2)cc1	ZINC000414743278	559184053	/nfs/dbraw/zinc/18/40/53/559184053.db2.gz	UTCHUSGIQBBWOW-UHFFFAOYSA-N	1	1	351.382	2.321	20	30		FEEDMO
COc1cccc(C[N@@H+](CC(=O)NC2(C#N)CCC2)C2CCC(O)CC2)c1	ZINC000527127508	562277288	/nfs/dbraw/zinc/27/72/88/562277288.db2.gz	JTAAHEVRJWQMSW-UHFFFAOYSA-N	1	1	371.481	2.363	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1	ZINC000527224836	562281102	/nfs/dbraw/zinc/28/11/02/562281102.db2.gz	JCWRWDURJOYYMU-KRWDZBQOSA-N	1	1	356.470	2.453	20	30		FEEDMO
COc1cc(NC(=O)c2ccc(C#N)c(O)c2)ccc1OCC[NH+](C)C	ZINC000416331554	559306000	/nfs/dbraw/zinc/30/60/00/559306000.db2.gz	CGSMRBDZYKDFCS-UHFFFAOYSA-N	1	1	355.394	2.465	20	30		FEEDMO
C[C@@H]1[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)CCC[N@@H+]1C	ZINC000416458252	559314358	/nfs/dbraw/zinc/31/43/58/559314358.db2.gz	QDBIUSQHBZVGLY-ZWNOBZJWSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[C@@H]1[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)CCC[N@H+]1C	ZINC000416458252	559314359	/nfs/dbraw/zinc/31/43/59/559314359.db2.gz	QDBIUSQHBZVGLY-ZWNOBZJWSA-N	1	1	372.288	2.082	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1cc(Br)ccc1C#N)C(C)C	ZINC000416476688	559316028	/nfs/dbraw/zinc/31/60/28/559316028.db2.gz	YWLOYJLDXOVZOD-UHFFFAOYSA-N	1	1	374.304	2.329	20	30		FEEDMO
C[C@@]1(F)C[NH2+]CCN(C(=O)NCCSCc2ccccc2C#N)C1	ZINC000416863153	559335701	/nfs/dbraw/zinc/33/57/01/559335701.db2.gz	GSNCGMKNKQPCPJ-QGZVFWFLSA-N	1	1	350.463	2.134	20	30		FEEDMO
N#Cc1ccccc1OC1CCC(NC(=O)NCC(F)(F)C[NH3+])CC1	ZINC000417598810	559368845	/nfs/dbraw/zinc/36/88/45/559368845.db2.gz	GMOVVTJMXSJMFP-UHFFFAOYSA-N	1	1	352.385	2.141	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@@H](C)[C@H]1C	ZINC000419382941	559440252	/nfs/dbraw/zinc/44/02/52/559440252.db2.gz	ZMSXDGOEJRPPET-LTIDMASMSA-N	1	1	360.527	2.433	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)NCC3(C#N)CCC3)cc2)CC1	ZINC000419407953	559440998	/nfs/dbraw/zinc/44/09/98/559440998.db2.gz	LARCYCMCEHHQGX-UHFFFAOYSA-N	1	1	369.513	2.317	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C	ZINC000420920012	559511454	/nfs/dbraw/zinc/51/14/54/559511454.db2.gz	AMEDMBBLGJPXHN-OWCLPIDISA-N	1	1	351.491	2.437	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C	ZINC000420920012	559511455	/nfs/dbraw/zinc/51/14/55/559511455.db2.gz	AMEDMBBLGJPXHN-OWCLPIDISA-N	1	1	351.491	2.437	20	30		FEEDMO
C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000420930001	559512142	/nfs/dbraw/zinc/51/21/42/559512142.db2.gz	RLWCOBUAQQZUEL-HOTGVXAUSA-N	1	1	362.474	2.085	20	30		FEEDMO
C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000420930001	559512143	/nfs/dbraw/zinc/51/21/43/559512143.db2.gz	RLWCOBUAQQZUEL-HOTGVXAUSA-N	1	1	362.474	2.085	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1	ZINC000421508533	559544053	/nfs/dbraw/zinc/54/40/53/559544053.db2.gz	FIOCWNZBMZSYDQ-MJGOQNOKSA-N	1	1	357.498	2.138	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1	ZINC000422487859	559591350	/nfs/dbraw/zinc/59/13/50/559591350.db2.gz	IWCCKEIUTGXBDN-IBGZPJMESA-N	1	1	357.498	2.439	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C	ZINC000422530688	559593166	/nfs/dbraw/zinc/59/31/66/559593166.db2.gz	RFJBUHQRVZTDSB-RLLQIKCJSA-N	1	1	371.525	2.479	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1	ZINC000422533402	559593385	/nfs/dbraw/zinc/59/33/85/559593385.db2.gz	XCIKRXXOLZZZRS-OALUTQOASA-N	1	1	357.498	2.090	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1	ZINC000527300031	562284313	/nfs/dbraw/zinc/28/43/13/562284313.db2.gz	ZSJPURMLTZLDQO-HOTGVXAUSA-N	1	1	354.454	2.288	20	30		FEEDMO
N#CCCC[C@H]([NH3+])C(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1	ZINC000424192380	559657266	/nfs/dbraw/zinc/65/72/66/559657266.db2.gz	SCTWTEZVRWUQRX-STQMWFEESA-N	1	1	366.347	2.050	20	30		FEEDMO
C=CCC1(C(=O)N2CCC[N@@H+](C3CCN(CC)CC3)CC2)CCOCC1	ZINC000424874247	559679084	/nfs/dbraw/zinc/67/90/84/559679084.db2.gz	BQGMZYIBVRUOPD-UHFFFAOYSA-N	1	1	363.546	2.378	20	30		FEEDMO
C=CCC1(C(=O)N2CCC[N@H+](C3CCN(CC)CC3)CC2)CCOCC1	ZINC000424874247	559679085	/nfs/dbraw/zinc/67/90/85/559679085.db2.gz	BQGMZYIBVRUOPD-UHFFFAOYSA-N	1	1	363.546	2.378	20	30		FEEDMO
CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000425385882	559699201	/nfs/dbraw/zinc/69/92/01/559699201.db2.gz	NWRFPCWRXWZDDT-HZPDHXFCSA-N	1	1	356.470	2.020	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000425386695	559699430	/nfs/dbraw/zinc/69/94/30/559699430.db2.gz	POYVCMCKIOUUPY-WMZOPIPTSA-N	1	1	370.497	2.268	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1	ZINC000425469987	559703895	/nfs/dbraw/zinc/70/38/95/559703895.db2.gz	FGMUZBQUSDKQHH-AEFFLSMTSA-N	1	1	368.485	2.316	20	30		FEEDMO
CNC(=O)[C@H](NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000425535647	559708201	/nfs/dbraw/zinc/70/82/01/559708201.db2.gz	NRWUBMKDZMEQEN-FOIQADDNSA-N	1	1	364.449	2.155	20	30		FEEDMO
CNC(=O)[C@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)c1ccccc1	ZINC000425535647	559708202	/nfs/dbraw/zinc/70/82/02/559708202.db2.gz	NRWUBMKDZMEQEN-FOIQADDNSA-N	1	1	364.449	2.155	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nn1	ZINC000425567402	559710116	/nfs/dbraw/zinc/71/01/16/559710116.db2.gz	SJSXUDJXARFZRW-YOEHRIQHSA-N	1	1	374.514	2.408	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1	ZINC000425816666	559721075	/nfs/dbraw/zinc/72/10/75/559721075.db2.gz	GHGOONSVFZBBHM-MAUKXSAKSA-N	1	1	357.454	2.133	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000425863369	559723236	/nfs/dbraw/zinc/72/32/36/559723236.db2.gz	YJQRSPOXIYUVLX-ICSRJNTNSA-N	1	1	372.513	2.041	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000425878670	559723736	/nfs/dbraw/zinc/72/37/36/559723736.db2.gz	DKEZYRVJIJXGMH-AQXGTKIOSA-N	1	1	368.481	2.209	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@]2(C)C(=O)OC)c(OC)c1	ZINC000426804039	559742085	/nfs/dbraw/zinc/74/20/85/559742085.db2.gz	RKJZDWXPBPMSAD-JXFKEZNVSA-N	1	1	363.454	2.191	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]2(C)C(=O)OC)c(OC)c1	ZINC000426804039	559742086	/nfs/dbraw/zinc/74/20/86/559742086.db2.gz	RKJZDWXPBPMSAD-JXFKEZNVSA-N	1	1	363.454	2.191	20	30		FEEDMO
C[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[N@@H+]1CCO	ZINC000428523725	559777161	/nfs/dbraw/zinc/77/71/61/559777161.db2.gz	ROWNVZYTGZPFFL-INIZCTEOSA-N	1	1	364.449	2.440	20	30		FEEDMO
C[C@H]1CN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC[N@H+]1CCO	ZINC000428523725	559777162	/nfs/dbraw/zinc/77/71/62/559777162.db2.gz	ROWNVZYTGZPFFL-INIZCTEOSA-N	1	1	364.449	2.440	20	30		FEEDMO
C=CCN(CCOC)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000429025055	559789109	/nfs/dbraw/zinc/78/91/09/559789109.db2.gz	FRWCSFOTCQXVIV-SFHVURJKSA-N	1	1	363.527	2.448	20	30		FEEDMO
C=CCN(CCOC)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429025055	559789110	/nfs/dbraw/zinc/78/91/10/559789110.db2.gz	FRWCSFOTCQXVIV-SFHVURJKSA-N	1	1	363.527	2.448	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC[N@H+]1C	ZINC000433869689	559889157	/nfs/dbraw/zinc/88/91/57/559889157.db2.gz	NCQMVPNHEUDZBO-CMPLNLGQSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C	ZINC000435155387	559917299	/nfs/dbraw/zinc/91/72/99/559917299.db2.gz	LAPPDHHIFWHBAD-JQWIXIFHSA-N	1	1	361.389	2.338	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C	ZINC000435155386	559917442	/nfs/dbraw/zinc/91/74/42/559917442.db2.gz	LAPPDHHIFWHBAD-CMPLNLGQSA-N	1	1	361.389	2.338	20	30		FEEDMO
CCN(CC)C(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000435416371	559922329	/nfs/dbraw/zinc/92/23/29/559922329.db2.gz	GQFROCJPMLFDFG-OAHLLOKOSA-N	1	1	356.470	2.466	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccsc1	ZINC000435652330	559927271	/nfs/dbraw/zinc/92/72/71/559927271.db2.gz	AZGSEFWIBLKLKI-HNNXBMFYSA-N	1	1	360.414	2.116	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@](COC)(C(=O)OCC)C1	ZINC000439479462	559995021	/nfs/dbraw/zinc/99/50/21/559995021.db2.gz	SKDZLXDUEBXRPX-APWZRJJASA-N	1	1	354.491	2.091	20	30		FEEDMO
COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ccc1C#N	ZINC000442806055	560057970	/nfs/dbraw/zinc/05/79/70/560057970.db2.gz	BLEIDJPHVBXONI-ZDUSSCGKSA-N	1	1	359.451	2.407	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@H+]1C	ZINC000443468409	560084631	/nfs/dbraw/zinc/08/46/31/560084631.db2.gz	OCNIYGBAYGSSFN-ZWNOBZJWSA-N	1	1	372.288	2.082	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH+]1CCC(NC(=O)c2oc(C)cc2C)CC1	ZINC000527576931	562295887	/nfs/dbraw/zinc/29/58/87/562295887.db2.gz	PTFDTXJNVRPUNX-UHFFFAOYSA-N	1	1	359.470	2.291	20	30		FEEDMO
C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1	ZINC000444381970	560112638	/nfs/dbraw/zinc/11/26/38/560112638.db2.gz	MNGCSVOQPCAILL-MRXNPFEDSA-N	1	1	364.449	2.440	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1	ZINC000448855725	560203050	/nfs/dbraw/zinc/20/30/50/560203050.db2.gz	ZNJBMIONDJVWPD-UHFFFAOYSA-N	1	1	365.437	2.225	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000448982118	560210281	/nfs/dbraw/zinc/21/02/81/560210281.db2.gz	WIUVMTRLOOCMMK-ZFWWWQNUSA-N	1	1	374.872	2.117	20	30		FEEDMO
CC(C)[N@H+]1CCO[C@H](CN2CCN(c3cccc(Cl)c3C#N)CC2)C1	ZINC000450316596	560258272	/nfs/dbraw/zinc/25/82/72/560258272.db2.gz	ZGRDAOLYMSODLH-MRXNPFEDSA-N	1	1	362.905	2.443	20	30		FEEDMO
C[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)[C@@H](C)C[N@H+]1C	ZINC000450347679	560259443	/nfs/dbraw/zinc/25/94/43/560259443.db2.gz	IRWQDADSQPYOHB-NEPJUHHUSA-N	1	1	366.259	2.251	20	30		FEEDMO
C[C@@H]1[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC[N@H+]1C	ZINC000450559070	560266229	/nfs/dbraw/zinc/26/62/29/560266229.db2.gz	XJUKLYHBRHYKMI-SUYBPPKGSA-N	1	1	374.872	2.163	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cccnc2N(C)C)C1	ZINC000451031758	560283587	/nfs/dbraw/zinc/28/35/87/560283587.db2.gz	XMCPJKVGYATLHT-GUXCAODWSA-N	1	1	373.501	2.044	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1	ZINC000451031758	560283588	/nfs/dbraw/zinc/28/35/88/560283588.db2.gz	XMCPJKVGYATLHT-GUXCAODWSA-N	1	1	373.501	2.044	20	30		FEEDMO
N#Cc1ccc(OCC(=O)NCC[N@@H+]2CC=CCC2)cc1Br	ZINC000451354068	560302081	/nfs/dbraw/zinc/30/20/81/560302081.db2.gz	QIKHZZARJWQFQG-UHFFFAOYSA-N	1	1	364.243	2.078	20	30		FEEDMO
COC(=O)[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1c1ccccc1	ZINC000452008175	560344912	/nfs/dbraw/zinc/34/49/12/560344912.db2.gz	SHDRLSVMQDAYLL-MOPGFXCFSA-N	1	1	363.417	2.385	20	30		FEEDMO
COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1c1ccccc1	ZINC000452008175	560344913	/nfs/dbraw/zinc/34/49/13/560344913.db2.gz	SHDRLSVMQDAYLL-MOPGFXCFSA-N	1	1	363.417	2.385	20	30		FEEDMO
C=CCn1c(N2CC[N@@H+](CCOC)[C@H](CC)C2)nnc1[C@]1(C)CCCO1	ZINC000453447457	560386864	/nfs/dbraw/zinc/38/68/64/560386864.db2.gz	XKGSDNSPDAHQHT-APWZRJJASA-N	1	1	363.506	2.037	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453653283	560393696	/nfs/dbraw/zinc/39/36/96/560393696.db2.gz	JBEDEVSKFOCCDI-UHFFFAOYSA-N	1	1	373.844	2.446	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)[N@@H+](C)Cc1ccccc1	ZINC000453672245	560395453	/nfs/dbraw/zinc/39/54/53/560395453.db2.gz	LKOKGCJELHEKQG-MRXNPFEDSA-N	1	1	364.449	2.328	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1	ZINC000453675067	560395737	/nfs/dbraw/zinc/39/57/37/560395737.db2.gz	RLWACYWVLLPMMU-SFHVURJKSA-N	1	1	356.470	2.432	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1	ZINC000453688834	560396883	/nfs/dbraw/zinc/39/68/83/560396883.db2.gz	HNUQASLQIFZWGD-RBUKOAKNSA-N	1	1	362.433	2.367	20	30		FEEDMO
C=C(C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000453882197	560410473	/nfs/dbraw/zinc/41/04/73/560410473.db2.gz	IEXBVPPMBSAFKK-HZPDHXFCSA-N	1	1	359.470	2.317	20	30		FEEDMO
C[C@@H]1CN(C(=O)N=c2ccn(CCC#N)[nH]2)CC[N@@H+](Cc2ccccc2)C1	ZINC000454825404	560459746	/nfs/dbraw/zinc/45/97/46/560459746.db2.gz	JPFLDRJRLCVSRK-KRWDZBQOSA-N	1	1	366.469	2.783	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CC[N@H+](C)CCOC)c1ccccc1	ZINC000455393650	560480578	/nfs/dbraw/zinc/48/05/78/560480578.db2.gz	CNGAWUUWZCFCRJ-QRVBRYPASA-N	1	1	361.486	2.339	20	30		FEEDMO
N#CCc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c(Cl)c1	ZINC000455734873	560493295	/nfs/dbraw/zinc/49/32/95/560493295.db2.gz	PXVUQCFOTIDKEQ-AWEZNQCLSA-N	1	1	350.850	2.374	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+]1C[C@H](C)O	ZINC000455777473	560494553	/nfs/dbraw/zinc/49/45/53/560494553.db2.gz	CVLRYUJROBMZRP-QFBILLFUSA-N	1	1	357.498	2.431	20	30		FEEDMO
N#CCc1cccc(NC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1	ZINC000455947480	560501535	/nfs/dbraw/zinc/50/15/35/560501535.db2.gz	OCWQSGHCGLHIEX-FQEVSTJZSA-N	1	1	364.449	2.293	20	30		FEEDMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)CC#N	ZINC000459231135	560675251	/nfs/dbraw/zinc/67/52/51/560675251.db2.gz	GRQPGPDGYCSTGM-FQEVSTJZSA-N	1	1	358.486	2.205	20	30		FEEDMO
CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000459577674	560695386	/nfs/dbraw/zinc/69/53/86/560695386.db2.gz	HFWOKNHDQNOURS-HXUWFJFHSA-N	1	1	357.454	2.228	20	30		FEEDMO
CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000459577674	560695388	/nfs/dbraw/zinc/69/53/88/560695388.db2.gz	HFWOKNHDQNOURS-HXUWFJFHSA-N	1	1	357.454	2.228	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C2CCN(OC)CC2)cc1	ZINC000459579342	560695491	/nfs/dbraw/zinc/69/54/91/560695491.db2.gz	KKYOVNOXCHOMNU-UHFFFAOYSA-N	1	1	374.485	2.290	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000459641992	560699492	/nfs/dbraw/zinc/69/94/92/560699492.db2.gz	MSCBDWQTWNSNIZ-KBPBESRZSA-N	1	1	361.408	2.428	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2	ZINC000459865635	560714671	/nfs/dbraw/zinc/71/46/71/560714671.db2.gz	JKKZONKWBPMFBX-LJQANCHMSA-N	1	1	361.511	2.207	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2	ZINC000459865633	560714731	/nfs/dbraw/zinc/71/47/31/560714731.db2.gz	JKKZONKWBPMFBX-IBGZPJMESA-N	1	1	361.511	2.207	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[NH+]([C@H](C)CC)CC1	ZINC000459978830	560725851	/nfs/dbraw/zinc/72/58/51/560725851.db2.gz	UKULFZVCRUXTMZ-QGZVFWFLSA-N	1	1	370.497	2.240	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000460073304	560733291	/nfs/dbraw/zinc/73/32/91/560733291.db2.gz	XEMFLBUCGMQFAB-IBGZPJMESA-N	1	1	357.498	2.042	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1	ZINC000460073304	560733292	/nfs/dbraw/zinc/73/32/92/560733292.db2.gz	XEMFLBUCGMQFAB-IBGZPJMESA-N	1	1	357.498	2.042	20	30		FEEDMO
COc1cc(CNC(=O)[C@H](C(C)C)[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C#N	ZINC000460611696	560747004	/nfs/dbraw/zinc/74/70/04/560747004.db2.gz	LBJOTVBXKSRGTG-CLCXKQKWSA-N	1	1	359.470	2.317	20	30		FEEDMO
CC(C)[C@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000461721848	560780230	/nfs/dbraw/zinc/78/02/30/560780230.db2.gz	AFNTWQYJLXPHJC-JXXFODFXSA-N	1	1	371.481	2.282	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1	ZINC000464797098	560851250	/nfs/dbraw/zinc/85/12/50/560851250.db2.gz	WFODODUPECWEKQ-XIKOKIGWSA-N	1	1	360.845	2.141	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1	ZINC000464797098	560851251	/nfs/dbraw/zinc/85/12/51/560851251.db2.gz	WFODODUPECWEKQ-XIKOKIGWSA-N	1	1	360.845	2.141	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC[N@H+]1C	ZINC000466040750	560878832	/nfs/dbraw/zinc/87/88/32/560878832.db2.gz	VFURQYKZUALQMQ-GOEBONIOSA-N	1	1	359.449	2.012	20	30		FEEDMO
C=CCCN(C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000466567862	560890211	/nfs/dbraw/zinc/89/02/11/560890211.db2.gz	UIVIABVMJYDODR-UHFFFAOYSA-N	1	1	358.486	2.433	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000466761542	560894888	/nfs/dbraw/zinc/89/48/88/560894888.db2.gz	DFTFNROLNIUTIJ-KSSFIOAISA-N	1	1	371.460	2.012	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)c(OC)c1	ZINC000470003325	560971531	/nfs/dbraw/zinc/97/15/31/560971531.db2.gz	QDWLDBROGJTMDG-OIISXLGYSA-N	1	1	363.454	2.047	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000470211630	560976676	/nfs/dbraw/zinc/97/66/76/560976676.db2.gz	KDIZWLNZXHTJMD-AWEZNQCLSA-N	1	1	374.872	2.340	20	30		FEEDMO
CC(C)OC[C@H](O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471010398	560996372	/nfs/dbraw/zinc/99/63/72/560996372.db2.gz	VZUSQJMPQYXSGN-MSOLQXFVSA-N	1	1	351.878	2.308	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](CCOc3cc(C)ccc3C)CC2)c1C#N	ZINC000472148761	561019518	/nfs/dbraw/zinc/01/95/18/561019518.db2.gz	BOKDYEWRTUECFZ-UHFFFAOYSA-N	1	1	353.470	2.418	20	30		FEEDMO
C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1nc(-c2cccnc2)no1	ZINC000473285692	561046506	/nfs/dbraw/zinc/04/65/06/561046506.db2.gz	XVTUAVUGHXCFGF-UHFFFAOYSA-N	1	1	362.393	2.464	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1nc(-c2cccnc2)no1	ZINC000473285692	561046507	/nfs/dbraw/zinc/04/65/07/561046507.db2.gz	XVTUAVUGHXCFGF-UHFFFAOYSA-N	1	1	362.393	2.464	20	30		FEEDMO
CCS(=O)(=O)c1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)s1	ZINC000475224165	561093265	/nfs/dbraw/zinc/09/32/65/561093265.db2.gz	NTEFWZVCYWVQCW-UHFFFAOYSA-N	1	1	360.464	2.351	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)cc1	ZINC000475679217	561102167	/nfs/dbraw/zinc/10/21/67/561102167.db2.gz	LEVLMZFUAWOFPR-RBBKRZOGSA-N	1	1	366.461	2.368	20	30		FEEDMO
COC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)NCc1ccc(C#N)cc1	ZINC000475733578	561103734	/nfs/dbraw/zinc/10/37/34/561103734.db2.gz	LUYAMKPRPJRJEL-FQEVSTJZSA-N	1	1	351.450	2.364	20	30		FEEDMO
COC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1	ZINC000475733578	561103735	/nfs/dbraw/zinc/10/37/35/561103735.db2.gz	LUYAMKPRPJRJEL-FQEVSTJZSA-N	1	1	351.450	2.364	20	30		FEEDMO
N#CC1(C[C@@H](O)C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)CC1	ZINC000528475478	562331161	/nfs/dbraw/zinc/33/11/61/562331161.db2.gz	PCIDNCFZXDWOQP-JXXFODFXSA-N	1	1	356.470	2.430	20	30		FEEDMO
C[C@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528523036	562333745	/nfs/dbraw/zinc/33/37/45/562333745.db2.gz	XJWQRWHMFJMCRH-ZBFHGGJFSA-N	1	1	371.403	2.114	20	30		FEEDMO
CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCN(O)C1=O	ZINC000529426957	562373472	/nfs/dbraw/zinc/37/34/72/562373472.db2.gz	JFROEWFZZPBIFL-KZNAEPCWSA-N	1	1	359.470	2.031	20	30		FEEDMO
CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000530233563	562403307	/nfs/dbraw/zinc/40/33/07/562403307.db2.gz	WZUUFPFTHXZKIZ-HOTGVXAUSA-N	1	1	355.442	2.138	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)c2ccc(C#N)s2)c2cccs2)CC1	ZINC000530676812	562420249	/nfs/dbraw/zinc/42/02/49/562420249.db2.gz	LMTWSZSPSDVVCF-CQSZACIVSA-N	1	1	360.508	2.400	20	30		FEEDMO
COC(=O)c1cccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1C#N	ZINC000534127313	562526003	/nfs/dbraw/zinc/52/60/03/562526003.db2.gz	BDZNQFMJGUQSDE-HNNXBMFYSA-N	1	1	358.438	2.362	20	30		FEEDMO
CC(=O)NCC[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000568117470	567890738	/nfs/dbraw/zinc/89/07/38/567890738.db2.gz	SFNCXCUVJGSSLC-UYAOXDASSA-N	1	1	368.481	2.292	20	30		FEEDMO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000602595821	567999437	/nfs/dbraw/zinc/99/94/37/567999437.db2.gz	DDBRPCXCKLXLEI-PXNSSMCTSA-N	1	1	357.498	2.442	20	30		FEEDMO
C=CCC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)OCC	ZINC000602683272	568010528	/nfs/dbraw/zinc/01/05/28/568010528.db2.gz	VCOFNCNMCVIXFX-MRXNPFEDSA-N	1	1	362.430	2.446	20	30		FEEDMO
CO[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@](C)(CO)C1	ZINC000602964494	568023884	/nfs/dbraw/zinc/02/38/84/568023884.db2.gz	QMBSTAMZWJYNQH-FUHWJXTLSA-N	1	1	365.861	2.058	20	30		FEEDMO
CO[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@](C)(CO)C1	ZINC000602964494	568023885	/nfs/dbraw/zinc/02/38/85/568023885.db2.gz	QMBSTAMZWJYNQH-FUHWJXTLSA-N	1	1	365.861	2.058	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)n1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1	ZINC000603240305	568080382	/nfs/dbraw/zinc/08/03/82/568080382.db2.gz	SBHLAMLETYMJCP-KBXCAEBGSA-N	1	1	364.453	2.179	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1	ZINC000603842981	568155310	/nfs/dbraw/zinc/15/53/10/568155310.db2.gz	VWYHPYQKLQWPHT-MSOLQXFVSA-N	1	1	352.438	2.162	20	30		FEEDMO
COc1ccc(OC2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1	ZINC000603854615	568167602	/nfs/dbraw/zinc/16/76/02/568167602.db2.gz	HMXKQKJOCMLYEG-HXUWFJFHSA-N	1	1	357.454	2.347	20	30		FEEDMO
CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000569325285	568383323	/nfs/dbraw/zinc/38/33/23/568383323.db2.gz	JFRIDBBPRRWJTJ-BYCMXARLSA-N	1	1	363.483	2.219	20	30		FEEDMO
C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(Br)cc1C#N	ZINC000558118567	674483825	/nfs/dbraw/zinc/48/38/25/674483825.db2.gz	KOITUVRTXHZMNC-ZDUSSCGKSA-N	1	1	352.276	2.473	20	30		FEEDMO
C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(Br)cc1C#N	ZINC000558118567	674483827	/nfs/dbraw/zinc/48/38/27/674483827.db2.gz	KOITUVRTXHZMNC-ZDUSSCGKSA-N	1	1	352.276	2.473	20	30		FEEDMO
C[C@@H](C[NH+]1CCOCC1)N(C)Cc1ccc(Br)cc1C#N	ZINC000558118567	674483829	/nfs/dbraw/zinc/48/38/29/674483829.db2.gz	KOITUVRTXHZMNC-ZDUSSCGKSA-N	1	1	352.276	2.473	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2nccc3sccc32)CC1	ZINC000809187120	674487538	/nfs/dbraw/zinc/48/75/38/674487538.db2.gz	LJNPOWRFJBGBOW-INIZCTEOSA-N	1	1	354.479	2.043	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2nccc3sccc32)CC1	ZINC000809187120	674487540	/nfs/dbraw/zinc/48/75/40/674487540.db2.gz	LJNPOWRFJBGBOW-INIZCTEOSA-N	1	1	354.479	2.043	20	30		FEEDMO
CC[NH+]1CCN(c2ccc(C(=O)N[C@@](C)(C#N)CSC)cc2F)CC1	ZINC000558247320	674489615	/nfs/dbraw/zinc/48/96/15/674489615.db2.gz	SQFKMQFPGZFVHN-SFHVURJKSA-N	1	1	364.490	2.343	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000810070990	674529434	/nfs/dbraw/zinc/52/94/34/674529434.db2.gz	UZRNLAVHBQVDCN-CYBMUJFWSA-N	1	1	355.360	2.457	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1Cc1cccc(C#N)c1	ZINC000822000286	606178388	/nfs/dbraw/zinc/17/83/88/606178388.db2.gz	FKZDABPZUUGXCN-MRXNPFEDSA-N	1	1	373.464	2.445	20	30		FEEDMO
N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1	ZINC000826384707	608508151	/nfs/dbraw/zinc/50/81/51/608508151.db2.gz	GSJGQZSOPROOPS-UHFFFAOYSA-N	1	1	363.425	2.039	20	30		FEEDMO
C=CC[N@@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823914301	609406882	/nfs/dbraw/zinc/40/68/82/609406882.db2.gz	FFPGLIULTATTQX-UHFFFAOYSA-N	1	1	352.398	2.170	20	30		FEEDMO
C=CC[N@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823914301	609406883	/nfs/dbraw/zinc/40/68/83/609406883.db2.gz	FFPGLIULTATTQX-UHFFFAOYSA-N	1	1	352.398	2.170	20	30		FEEDMO
Cc1nc(-c2nn[nH]n2)c(N=NC(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)o1	ZINC000823962291	609516018	/nfs/dbraw/zinc/51/60/18/609516018.db2.gz	IWIYVPXDPRVAJF-HNNXBMFYSA-N	1	1	366.429	2.473	20	30		FEEDMO
Cc1nc(-c2nn[nH]n2)c(N=NC(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1	ZINC000823962291	609516019	/nfs/dbraw/zinc/51/60/19/609516019.db2.gz	IWIYVPXDPRVAJF-HNNXBMFYSA-N	1	1	366.429	2.473	20	30		FEEDMO
C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1O	ZINC000814227470	674827627	/nfs/dbraw/zinc/82/76/27/674827627.db2.gz	HVNJBAMUXNLSQR-AWEZNQCLSA-N	1	1	353.484	2.386	20	30		FEEDMO
C=CCc1cc(OC)cc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)c1O	ZINC000814227470	674827631	/nfs/dbraw/zinc/82/76/31/674827631.db2.gz	HVNJBAMUXNLSQR-AWEZNQCLSA-N	1	1	353.484	2.386	20	30		FEEDMO
COC(=O)[C@H]([NH2+]CCCC1(C#N)CCOCC1)[C@H]1CCC[C@H](OC)C1	ZINC000563220716	674859770	/nfs/dbraw/zinc/85/97/70/674859770.db2.gz	BUTFZVSCQVXTBM-YESZJQIVSA-N	1	1	352.475	2.423	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1O	ZINC001047561360	674960602	/nfs/dbraw/zinc/96/06/02/674960602.db2.gz	GMLWRSSOAGEHJB-VJANTYMQSA-N	1	1	350.503	2.051	20	30		FEEDMO
C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1	ZINC001047634524	674962395	/nfs/dbraw/zinc/96/23/95/674962395.db2.gz	JOOQMIYSYUULCM-FSDCSDTHSA-N	1	1	350.409	2.148	20	30		FEEDMO
C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2	ZINC001048550502	675010088	/nfs/dbraw/zinc/01/00/88/675010088.db2.gz	RDJQSHGFHQBVSA-MCEUPANISA-N	1	1	368.905	2.150	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CCN1c1snc(Cl)c1C#N	ZINC001048586811	675011350	/nfs/dbraw/zinc/01/13/50/675011350.db2.gz	CMAIEPJKAMLULH-YNEHKIRRSA-N	1	1	367.906	2.236	20	30		FEEDMO
C#CCC[N@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C[C@H]2C1	ZINC001048870006	675017104	/nfs/dbraw/zinc/01/71/04/675017104.db2.gz	KLMYSRIMABSGIB-XUWVNRHRSA-N	1	1	358.404	2.290	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cscn3)C[C@@H]2C1	ZINC001049104940	675023215	/nfs/dbraw/zinc/02/32/15/675023215.db2.gz	ZUPXQSDTJTYWLD-MVJTYMMSSA-N	1	1	361.511	2.405	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cscn3)C[C@@H]2C1	ZINC001049104940	675023216	/nfs/dbraw/zinc/02/32/16/675023216.db2.gz	ZUPXQSDTJTYWLD-MVJTYMMSSA-N	1	1	361.511	2.405	20	30		FEEDMO
Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cnn(C)c3C#N)C2)s1	ZINC000565093594	675094204	/nfs/dbraw/zinc/09/42/04/675094204.db2.gz	NOQQNENFDRVYKW-AWEZNQCLSA-N	1	1	357.483	2.256	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(Cc2ccc(Br)cc2C#N)[C@@H](C)C1	ZINC000565098189	675094419	/nfs/dbraw/zinc/09/44/19/675094419.db2.gz	JEWCAWRZGAATRR-STQMWFEESA-N	1	1	352.276	2.208	20	30		FEEDMO
CC(C)CO[C@H](C)c1noc(CON=C(N)C[N@@H+]2CCCC[C@H]2C)n1	ZINC000072920525	670498632	/nfs/dbraw/zinc/49/86/32/670498632.db2.gz	KNZJPUJSMUVXTN-ZIAGYGMSSA-N	1	1	353.467	2.466	20	30		FEEDMO
CC(C)CO[C@H](C)c1noc(CON=C(N)C[N@H+]2CCCC[C@H]2C)n1	ZINC000072920525	670498634	/nfs/dbraw/zinc/49/86/34/670498634.db2.gz	KNZJPUJSMUVXTN-ZIAGYGMSSA-N	1	1	353.467	2.466	20	30		FEEDMO
NC(=[NH+]OCC(=O)Nc1ccc(Br)cc1)C1CCOCC1	ZINC000112086830	670865966	/nfs/dbraw/zinc/86/59/66/670865966.db2.gz	DWZIWCZBOOIOJL-UHFFFAOYSA-N	1	1	356.220	2.103	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2ccc(OC(F)F)cn2)c1	ZINC000573557638	671136840	/nfs/dbraw/zinc/13/68/40/671136840.db2.gz	GYHCVLKIUJMVMQ-UHFFFAOYSA-N	1	1	367.377	2.118	20	30		FEEDMO
COc1ccc(OC(F)(F)F)c(C(=O)NC2(C#N)CC[NH+](C)CC2)c1	ZINC000574364368	671230629	/nfs/dbraw/zinc/23/06/29/671230629.db2.gz	KIDDLXOHJIVMLP-UHFFFAOYSA-N	1	1	357.332	2.312	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2cncc(F)c2)CC1	ZINC000575941258	671332584	/nfs/dbraw/zinc/33/25/84/671332584.db2.gz	UXXNRHWBWVCNAI-UHFFFAOYSA-N	1	1	359.430	2.305	20	30		FEEDMO
C[C@@](O)(CNc1c(C#N)cnc2c(Cl)cccc21)C[NH+]1CCOCC1	ZINC000577949494	671630207	/nfs/dbraw/zinc/63/02/07/671630207.db2.gz	PUASDFPFKIQECL-GOSISDBHSA-N	1	1	360.845	2.255	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCNC(=O)COc2cccc(Br)c2C#N)C1	ZINC000579435311	671734935	/nfs/dbraw/zinc/73/49/35/671734935.db2.gz	VWQALULTQMDHQV-GFCCVEGCSA-N	1	1	366.259	2.158	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC[N@H+](C2CCC2)C1	ZINC000579907634	671769060	/nfs/dbraw/zinc/76/90/60/671769060.db2.gz	YPWBXDNQVWPMIF-CQSZACIVSA-N	1	1	365.474	2.333	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)NCC2(CC#N)CC2)c2cccs2)CC1	ZINC000580025905	671777262	/nfs/dbraw/zinc/77/72/62/671777262.db2.gz	ZJJVEBVKWNOPMJ-HNNXBMFYSA-N	1	1	361.515	2.030	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+](C[C@H]2CCCO2)C2CCCC2)nc1	ZINC000580738154	671828450	/nfs/dbraw/zinc/82/84/50/671828450.db2.gz	YDJFJEKVXBNVGQ-QGZVFWFLSA-N	1	1	363.483	2.151	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+](C[C@H]2CCCO2)C2CCCC2)nc1	ZINC000580738154	671828452	/nfs/dbraw/zinc/82/84/52/671828452.db2.gz	YDJFJEKVXBNVGQ-QGZVFWFLSA-N	1	1	363.483	2.151	20	30		FEEDMO
CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000581051685	671858651	/nfs/dbraw/zinc/85/86/51/671858651.db2.gz	YQCJJXLXHVGYMY-ATZDWAIDSA-N	1	1	351.491	2.341	20	30		FEEDMO
C[C@@H]1SCC[N@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)[C@H]1C	ZINC000118383681	671885979	/nfs/dbraw/zinc/88/59/79/671885979.db2.gz	ZWIIFHYYJAJCJH-KBPBESRZSA-N	1	1	358.467	2.106	20	30		FEEDMO
C[C@@H]1SCC[N@@H+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)[C@H]1C	ZINC000118383681	671885985	/nfs/dbraw/zinc/88/59/85/671885985.db2.gz	ZWIIFHYYJAJCJH-KBPBESRZSA-N	1	1	358.467	2.106	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000581851884	671940973	/nfs/dbraw/zinc/94/09/73/671940973.db2.gz	IJOVMHAOZPTWNX-MRXNPFEDSA-N	1	1	361.511	2.396	20	30		FEEDMO
C=CC[N@@H+](CCOC)Cc1cc(=O)n2cc(Br)ccc2n1	ZINC000581978791	671955069	/nfs/dbraw/zinc/95/50/69/671955069.db2.gz	WUJSLCQDNKYFHO-UHFFFAOYSA-N	1	1	352.232	2.091	20	30		FEEDMO
C=CC[N@H+](CCOC)Cc1cc(=O)n2cc(Br)ccc2n1	ZINC000581978791	671955070	/nfs/dbraw/zinc/95/50/70/671955070.db2.gz	WUJSLCQDNKYFHO-UHFFFAOYSA-N	1	1	352.232	2.091	20	30		FEEDMO
CC(C)[C@H](C#N)N1CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1	ZINC000610391015	675968822	/nfs/dbraw/zinc/96/88/22/675968822.db2.gz	IKLYPFRESDEZNG-KRWDZBQOSA-N	1	1	350.413	2.459	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)c1cccc(F)c1C#N)Cc1ccc(F)cc1	ZINC000124979841	672004595	/nfs/dbraw/zinc/00/45/95/672004595.db2.gz	SVOYKXUVFHPTHL-UHFFFAOYSA-N	1	1	365.405	2.247	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)c1cccc(F)c1C#N)Cc1ccc(F)cc1	ZINC000124979841	672004597	/nfs/dbraw/zinc/00/45/97/672004597.db2.gz	SVOYKXUVFHPTHL-UHFFFAOYSA-N	1	1	365.405	2.247	20	30		FEEDMO
O=S(=O)(NC[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1	ZINC000583447221	672095971	/nfs/dbraw/zinc/09/59/71/672095971.db2.gz	RFDHLOUWEIIBDE-MRXNPFEDSA-N	1	1	366.914	2.485	20	30		FEEDMO
O=S(=O)(NC[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)C1CC1	ZINC000583447221	672095976	/nfs/dbraw/zinc/09/59/76/672095976.db2.gz	RFDHLOUWEIIBDE-MRXNPFEDSA-N	1	1	366.914	2.485	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)OCCC)cc2)CC1	ZINC000171536578	672333149	/nfs/dbraw/zinc/33/31/49/672333149.db2.gz	GWPMJHGKBKOFCI-UHFFFAOYSA-N	1	1	366.483	2.182	20	30		FEEDMO
CC(C)(O)C[NH+]1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1	ZINC000611142267	676020543	/nfs/dbraw/zinc/02/05/43/676020543.db2.gz	KJYGIUVVOBMLMY-UHFFFAOYSA-N	1	1	356.253	2.394	20	30		FEEDMO
CC(=O)N1CCC([N@H+](Cc2cncs2)Cc2ccnc(C#N)c2)CC1	ZINC000590025780	672554659	/nfs/dbraw/zinc/55/46/59/672554659.db2.gz	GYQMUDDNZICPOE-UHFFFAOYSA-N	1	1	355.467	2.423	20	30		FEEDMO
CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2ccnc(C#N)c2)CC1	ZINC000590025780	672554661	/nfs/dbraw/zinc/55/46/61/672554661.db2.gz	GYQMUDDNZICPOE-UHFFFAOYSA-N	1	1	355.467	2.423	20	30		FEEDMO
C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cccc(Cl)c3C#N)C2)C1	ZINC000590165488	672562991	/nfs/dbraw/zinc/56/29/91/672562991.db2.gz	ZVAWAFPRRVOQOR-INIZCTEOSA-N	1	1	353.875	2.318	20	30		FEEDMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000611320352	676032078	/nfs/dbraw/zinc/03/20/78/676032078.db2.gz	HABZGKHUZSHOEM-SPYBWZPUSA-N	1	1	351.491	2.341	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)F)C2)CC1	ZINC000611432661	676036874	/nfs/dbraw/zinc/03/68/74/676036874.db2.gz	JRSHRXLJMNDPQL-KBPBESRZSA-N	1	1	368.453	2.044	20	30		FEEDMO
N#Cc1ccc(CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1Cl	ZINC000591357938	672676088	/nfs/dbraw/zinc/67/60/88/672676088.db2.gz	FQWIHLKXBQRDAV-KRWDZBQOSA-N	1	1	355.829	2.463	20	30		FEEDMO
CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cn3ccccc3c2C#N)C1	ZINC000592184268	672768643	/nfs/dbraw/zinc/76/86/43/672768643.db2.gz	ICUBYHJFTQDLSJ-INIZCTEOSA-N	1	1	350.344	2.311	20	30		FEEDMO
CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cn3ccccc3c2C#N)C1	ZINC000592184268	672768645	/nfs/dbraw/zinc/76/86/45/672768645.db2.gz	ICUBYHJFTQDLSJ-INIZCTEOSA-N	1	1	350.344	2.311	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc(F)c1	ZINC000612057626	676066415	/nfs/dbraw/zinc/06/64/15/676066415.db2.gz	QLNZXGMUCCGTAZ-GOSISDBHSA-N	1	1	361.442	2.420	20	30		FEEDMO
CN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CCC[N@@H+](C)C1	ZINC000593070464	672871617	/nfs/dbraw/zinc/87/16/17/672871617.db2.gz	QJFKEVMYCYPFJZ-HNNXBMFYSA-N	1	1	350.260	2.416	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(Br)cc1C#N	ZINC000593521709	672932848	/nfs/dbraw/zinc/93/28/48/672932848.db2.gz	OPDMEUSXBYHIIS-BDJLRTHQSA-N	1	1	362.271	2.462	20	30		FEEDMO
Cc1nc(SCC(=O)N2CC[NH2+]C[C@H]2C(F)F)c(C#N)c(C)c1C	ZINC000593906503	673006900	/nfs/dbraw/zinc/00/69/00/673006900.db2.gz	NBLXEZRQBHBJAQ-ZDUSSCGKSA-N	1	1	354.426	2.036	20	30		FEEDMO
COc1cnc(NC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)s1	ZINC000329244025	673073798	/nfs/dbraw/zinc/07/37/98/673073798.db2.gz	PMWOFEXXVYDFEC-UHFFFAOYSA-N	1	1	367.519	2.188	20	30		FEEDMO
O=C(NCC[NH+]1CCSCC1)[C@@H]1CC(=O)N(c2ccccc2F)C1	ZINC000329413263	673076950	/nfs/dbraw/zinc/07/69/50/673076950.db2.gz	DRSTWLGIHXVOMR-CYBMUJFWSA-N	1	1	351.447	2.184	20	30		FEEDMO
O=C(N[C@H]1CCCS(=O)(=O)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000329694937	673081835	/nfs/dbraw/zinc/08/18/35/673081835.db2.gz	CWFDJRRAXHTCRS-IRXDYDNUSA-N	1	1	350.484	2.432	20	30		FEEDMO
CCC(C)(C)[NH+]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1	ZINC000594475721	673081886	/nfs/dbraw/zinc/08/18/86/673081886.db2.gz	RLZSEUVNMOUNFX-UHFFFAOYSA-N	1	1	353.463	2.333	20	30		FEEDMO
C=CCNC(=S)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1	ZINC000727979642	673188834	/nfs/dbraw/zinc/18/88/34/673188834.db2.gz	SLLFEKJMPQJYBS-UHFFFAOYSA-N	1	1	363.527	2.326	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1	ZINC000595411455	673246122	/nfs/dbraw/zinc/24/61/22/673246122.db2.gz	QFHIVHDRQUFRJE-INIZCTEOSA-N	1	1	365.474	2.239	20	30		FEEDMO
N#Cc1ccc(CC[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1	ZINC000595428598	673249669	/nfs/dbraw/zinc/24/96/69/673249669.db2.gz	FVZVAXIXXKGPJC-LJQANCHMSA-N	1	1	361.511	2.427	20	30		FEEDMO
N#Cc1cc(F)c(N2CC(C[NH+]3CCOCC3)C2)cc1Br	ZINC000596239751	673370913	/nfs/dbraw/zinc/37/09/13/673370913.db2.gz	MGRCIMGEUWRUSP-UHFFFAOYSA-N	1	1	354.223	2.228	20	30		FEEDMO
CCCCn1nc(C)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1Cl	ZINC000733332775	673410072	/nfs/dbraw/zinc/41/00/72/673410072.db2.gz	ALRVIBYGMATWGP-ICFOKQHNSA-N	1	1	365.865	2.261	20	30		FEEDMO
CC[C@@H](C#N)Oc1cccc(CNC(=O)NCC[NH+]2CCSCC2)c1	ZINC000733848795	673440165	/nfs/dbraw/zinc/44/01/65/673440165.db2.gz	TUDBMZXUNIBOMP-INIZCTEOSA-N	1	1	362.499	2.216	20	30		FEEDMO
CC[C@@H](C)CN(C)c1ccc(F)cc1C=[NH+]N[C@H]1CCS(=O)(=O)C1	ZINC000734742575	673471688	/nfs/dbraw/zinc/47/16/88/673471688.db2.gz	AWSJACXCSXEIGB-CJNGLKHVSA-N	1	1	355.479	2.419	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)N2CC(C[NH+]3CCOCC3)C2)c(Cl)c1	ZINC000597681760	673498828	/nfs/dbraw/zinc/49/88/28/673498828.db2.gz	GEVODGCODKTLDV-UHFFFAOYSA-N	1	1	354.237	2.269	20	30		FEEDMO
CCN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CC[N@@H+](C)C1	ZINC000597944656	673522087	/nfs/dbraw/zinc/52/20/87/673522087.db2.gz	DHJGUZIPANCJJU-HNNXBMFYSA-N	1	1	350.260	2.416	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000542879069	673612850	/nfs/dbraw/zinc/61/28/50/673612850.db2.gz	IGZGUBMWEJBBEG-SWLSCSKDSA-N	1	1	357.376	2.337	20	30		FEEDMO
Cc1cc(=O)n2nc(C[N@@H+]3CCc4c(CC#N)cccc4C3)sc2n1	ZINC000599686681	673706296	/nfs/dbraw/zinc/70/62/96/673706296.db2.gz	VDTSSFGDUFFZSO-UHFFFAOYSA-N	1	1	351.435	2.084	20	30		FEEDMO
Cc1cc(=O)n2nc(C[N@H+]3CCc4c(CC#N)cccc4C3)sc2n1	ZINC000599686681	673706297	/nfs/dbraw/zinc/70/62/97/673706297.db2.gz	VDTSSFGDUFFZSO-UHFFFAOYSA-N	1	1	351.435	2.084	20	30		FEEDMO
N#Cc1ccc(Cl)c(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1	ZINC000600065277	673738237	/nfs/dbraw/zinc/73/82/37/673738237.db2.gz	YZLPOGGCUAIISZ-AWEZNQCLSA-N	1	1	360.845	2.283	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)[N@@H+]1CCc2ccccc2C1	ZINC000545386501	673765286	/nfs/dbraw/zinc/76/52/86/673765286.db2.gz	UZDJXPDCPADGQL-INIZCTEOSA-N	1	1	361.511	2.437	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)CC1(C#N)CCCC1)[N@H+]1CCc2ccccc2C1	ZINC000545386501	673765287	/nfs/dbraw/zinc/76/52/87/673765287.db2.gz	UZDJXPDCPADGQL-INIZCTEOSA-N	1	1	361.511	2.437	20	30		FEEDMO
N#Cc1cnc(N2CC[NH+](CCc3cnccn3)CC2)c2sccc21	ZINC000601253675	673835828	/nfs/dbraw/zinc/83/58/28/673835828.db2.gz	WXQCVOJZASCOBT-UHFFFAOYSA-N	1	1	350.451	2.323	20	30		FEEDMO
C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)CC1	ZINC000746503280	673882047	/nfs/dbraw/zinc/88/20/47/673882047.db2.gz	LAHAGHDUVPIQLC-SFHVURJKSA-N	1	1	359.901	2.124	20	30		FEEDMO
COC(=O)[C@@H]([NH2+]CCCNC(=O)c1ccc(C#N)c(Cl)c1)C(C)C	ZINC000603069417	673916663	/nfs/dbraw/zinc/91/66/63/673916663.db2.gz	YORNBTGCEPNUQG-HNNXBMFYSA-N	1	1	351.834	2.119	20	30		FEEDMO
C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(C#N)c(Br)cn1	ZINC000603373378	673927256	/nfs/dbraw/zinc/92/72/56/673927256.db2.gz	CQUYLGVDCJCLHG-WCQYABFASA-N	1	1	351.248	2.015	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(F)c(I)c1	ZINC000818615761	675228925	/nfs/dbraw/zinc/22/89/25/675228925.db2.gz	VMPLJGBTLKJCMR-UHFFFAOYSA-N	1	1	374.197	2.115	20	30		FEEDMO
C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819429684	675289845	/nfs/dbraw/zinc/28/98/45/675289845.db2.gz	RZGBCPZNOLOVDM-ZNMIVQPWSA-N	1	1	352.479	2.125	20	30		FEEDMO
C#C[C@@H](NC(=O)N(C)CCC[NH+]1CCN(C)CC1)c1ccc(Cl)cc1	ZINC000820565064	675370770	/nfs/dbraw/zinc/37/07/70/675370770.db2.gz	JOYPUIYGRFHKDV-GOSISDBHSA-N	1	1	362.905	2.293	20	30		FEEDMO
C#CCN1C(=O)C[C@H]([NH+]2CCC(F)(Cc3ccc(Cl)cc3)CC2)C1=O	ZINC000821771594	675450939	/nfs/dbraw/zinc/45/09/39/675450939.db2.gz	GCOXBXIOALBTJW-INIZCTEOSA-N	1	1	362.832	2.447	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C2(C#N)CCSCC2)cc1	ZINC000827166840	675735631	/nfs/dbraw/zinc/73/56/31/675735631.db2.gz	KQFSPTVFQFVCII-MRXNPFEDSA-N	1	1	359.495	2.423	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C2(C#N)CCSCC2)cc1	ZINC000827166840	675735633	/nfs/dbraw/zinc/73/56/33/675735633.db2.gz	KQFSPTVFQFVCII-MRXNPFEDSA-N	1	1	359.495	2.423	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C2(C#N)CCSCC2)cc1	ZINC000827166832	675735665	/nfs/dbraw/zinc/73/56/65/675735665.db2.gz	KQFSPTVFQFVCII-INIZCTEOSA-N	1	1	359.495	2.423	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C2(C#N)CCSCC2)cc1	ZINC000827166832	675735667	/nfs/dbraw/zinc/73/56/67/675735667.db2.gz	KQFSPTVFQFVCII-INIZCTEOSA-N	1	1	359.495	2.423	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+](CCO)[C@H]3CCCSC3)C2=O)cc1	ZINC000619569058	676385472	/nfs/dbraw/zinc/38/54/72/676385472.db2.gz	FVELGEGARWUOAQ-ROUUACIJSA-N	1	1	359.495	2.244	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619758741	676393671	/nfs/dbraw/zinc/39/36/71/676393671.db2.gz	DNHGMDZMWIVMPF-OAHLLOKOSA-N	1	1	350.850	2.122	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)nn1	ZINC000634717030	677080500	/nfs/dbraw/zinc/08/05/00/677080500.db2.gz	DCQYLKGBJBVUSE-CQSZACIVSA-N	1	1	357.241	2.300	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)Nc2cccc(F)c2S(C)(=O)=O)CC1	ZINC000640277382	677176919	/nfs/dbraw/zinc/17/69/19/677176919.db2.gz	LPIGSSVEYNJQRP-UHFFFAOYSA-N	1	1	355.435	2.001	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCc1cccc(Br)c1	ZINC000838621799	680706580	/nfs/dbraw/zinc/70/65/80/680706580.db2.gz	CJOOGMAJZOVPIA-UHFFFAOYSA-N	1	1	352.276	2.246	20	30		FEEDMO
C[C@H](O)C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1	ZINC000653899862	677553808	/nfs/dbraw/zinc/55/38/08/677553808.db2.gz	JNKGCJOGMQADRS-ZDUSSCGKSA-N	1	1	354.372	2.018	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cccc(O)c2Br)CC1	ZINC000838803861	680720308	/nfs/dbraw/zinc/72/03/08/680720308.db2.gz	YTDNBZWMLUHZKO-UHFFFAOYSA-N	1	1	351.244	2.116	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000656360473	677749282	/nfs/dbraw/zinc/74/92/82/677749282.db2.gz	UAIINQKRRIANLM-IAGOWNOFSA-N	1	1	361.511	2.396	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1	ZINC000661597638	678509106	/nfs/dbraw/zinc/50/91/06/678509106.db2.gz	MBZWBZZHMUGTNA-YQQAZPJKSA-N	1	1	361.511	2.252	20	30		FEEDMO
C=CCN1CCN(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)C1=O	ZINC000840037856	680794506	/nfs/dbraw/zinc/79/45/06/680794506.db2.gz	YXSHXAYBKGGTJB-UHFFFAOYSA-N	1	1	351.397	2.441	20	30		FEEDMO
C=CCCC(C)(C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C	ZINC000664883983	678928885	/nfs/dbraw/zinc/92/88/85/678928885.db2.gz	SPRNGKBDWYHEFH-MQVJKMGUSA-N	1	1	350.507	2.114	20	30		FEEDMO
C=C(C[NH+](C)C)C(=O)Nc1cc(S(=O)(=O)C(F)F)ccc1NCC	ZINC000764634775	680817635	/nfs/dbraw/zinc/81/76/35/680817635.db2.gz	YNZGUQYPLLLURD-UHFFFAOYSA-N	1	1	361.414	2.171	20	30		FEEDMO
C=C(C)[C@@H](CO)[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1	ZINC000677047020	679652943	/nfs/dbraw/zinc/65/29/43/679652943.db2.gz	OUIKKWQUIBMQHW-MRXNPFEDSA-N	1	1	362.861	2.445	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)CC1	ZINC000747818586	679905262	/nfs/dbraw/zinc/90/52/62/679905262.db2.gz	WATMDTQRWDRLBH-AWEZNQCLSA-N	1	1	361.873	2.437	20	30		FEEDMO
C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)CC1	ZINC000748809784	679996845	/nfs/dbraw/zinc/99/68/45/679996845.db2.gz	KJXLHMOAVRHHQJ-CYBMUJFWSA-N	1	1	354.281	2.421	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1	ZINC000993836167	680191676	/nfs/dbraw/zinc/19/16/76/680191676.db2.gz	FFUBAJAWSWNVPT-YUELXQCFSA-N	1	1	355.910	2.070	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(CC)s2)C1	ZINC001022834267	680241025	/nfs/dbraw/zinc/24/10/25/680241025.db2.gz	KTNKGDMADOUJPR-LOUJCGABSA-N	1	1	364.515	2.209	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCOCC1	ZINC001024443252	680289707	/nfs/dbraw/zinc/28/97/07/680289707.db2.gz	FXLRPSLWCZPVTG-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCCC(F)(F)C3)C[C@H]21	ZINC001026056993	680340566	/nfs/dbraw/zinc/34/05/66/680340566.db2.gz	OLWUBXIAAPAQKS-FFRIZKCHSA-N	1	1	354.441	2.449	20	30		FEEDMO
O=C(NC[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1)[C@]12C[C@H]1COC2	ZINC001027896034	680363462	/nfs/dbraw/zinc/36/34/62/680363462.db2.gz	FQTRNERCLSGWHB-QRFRQXIXSA-N	1	1	358.869	2.309	20	30		FEEDMO
O=C(NC[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1)[C@]12C[C@H]1COC2	ZINC001027896034	680363465	/nfs/dbraw/zinc/36/34/65/680363465.db2.gz	FQTRNERCLSGWHB-QRFRQXIXSA-N	1	1	358.869	2.309	20	30		FEEDMO
C=C(C)CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC000998046879	680372944	/nfs/dbraw/zinc/37/29/44/680372944.db2.gz	PFDGTFFQCUGVKT-GUDVDZBRSA-N	1	1	351.535	2.375	20	30		FEEDMO
O=C(NC[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1COC2	ZINC001028554351	680376553	/nfs/dbraw/zinc/37/65/53/680376553.db2.gz	FFBCTQCNBRDKHK-ZWOKBUDYSA-N	1	1	358.869	2.166	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCOCC2)C1	ZINC001028858261	680385084	/nfs/dbraw/zinc/38/50/84/680385084.db2.gz	HALLHFWTYLLMKN-FHWLQOOXSA-N	1	1	350.503	2.222	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(CC)s2)C1	ZINC000998784657	680388867	/nfs/dbraw/zinc/38/88/67/680388867.db2.gz	JMWUVRQXUJDHOO-CVSAEHQPSA-N	1	1	364.515	2.161	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCn2cc(Cl)cn2)C1	ZINC001033087172	680416508	/nfs/dbraw/zinc/41/65/08/680416508.db2.gz	RVNJHKZBZUKUEO-ZACQAIPSSA-N	1	1	366.893	2.050	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001033087172	680416510	/nfs/dbraw/zinc/41/65/10/680416510.db2.gz	RVNJHKZBZUKUEO-ZACQAIPSSA-N	1	1	366.893	2.050	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ncc(Cl)s2)C1	ZINC001000243848	680424827	/nfs/dbraw/zinc/42/48/27/680424827.db2.gz	FPDLIGQLBXXFMK-XQQFMLRXSA-N	1	1	355.891	2.468	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2snnc2C)C1	ZINC001033839588	680425886	/nfs/dbraw/zinc/42/58/86/680425886.db2.gz	XZFUXOMJWWHAKZ-OAGGEKHMSA-N	1	1	364.515	2.251	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2snnc2C)C1	ZINC001033839588	680425888	/nfs/dbraw/zinc/42/58/88/680425888.db2.gz	XZFUXOMJWWHAKZ-OAGGEKHMSA-N	1	1	364.515	2.251	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2	ZINC001000487323	680433731	/nfs/dbraw/zinc/43/37/31/680433731.db2.gz	YIOYASBOCLZRMG-UKMLZYKCSA-N	1	1	367.921	2.355	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(C[NH+](Cc3cnc(C)s3)C2)CC1	ZINC001035801065	680452512	/nfs/dbraw/zinc/45/25/12/680452512.db2.gz	UAWWMDKIBAIZEQ-SJORKVTESA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1	ZINC001039159038	680462404	/nfs/dbraw/zinc/46/24/04/680462404.db2.gz	BHYYMKQBGFNHOI-IKGGRYGDSA-N	1	1	367.921	2.201	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC[C@H]2CCOC2)CC1	ZINC000985695494	680471376	/nfs/dbraw/zinc/47/13/76/680471376.db2.gz	WOWZOBGVWZZIKZ-WDSOQIARSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1	ZINC000836488774	680476061	/nfs/dbraw/zinc/47/60/61/680476061.db2.gz	NKGBHRZUJXXPSK-INIZCTEOSA-N	1	1	351.491	2.095	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	ZINC000756542373	680483983	/nfs/dbraw/zinc/48/39/83/680483983.db2.gz	IBYKKVLAEPKYSR-PBHICJAKSA-N	1	1	360.841	2.334	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)CC1	ZINC001002844603	680510003	/nfs/dbraw/zinc/51/00/03/680510003.db2.gz	KAGXEEBSPDZBPC-RHSMWYFYSA-N	1	1	362.905	2.487	20	30		FEEDMO
Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](Nc2nc(Cl)c(C#N)s2)C1	ZINC001043206295	680566023	/nfs/dbraw/zinc/56/60/23/680566023.db2.gz	DPQQYMIUNPRKIB-MWLCHTKSSA-N	1	1	364.862	2.132	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)CC2)C1	ZINC001046072131	680643504	/nfs/dbraw/zinc/64/35/04/680643504.db2.gz	SNIQAWKWLGOOGU-OKZBNKHCSA-N	1	1	351.922	2.394	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)CC2)C1	ZINC001046072131	680643506	/nfs/dbraw/zinc/64/35/06/680643506.db2.gz	SNIQAWKWLGOOGU-OKZBNKHCSA-N	1	1	351.922	2.394	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1	ZINC001008001943	680659619	/nfs/dbraw/zinc/65/96/19/680659619.db2.gz	HAXFFTDQEGLVSH-LTUQZUHASA-N	1	1	357.479	2.124	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1	ZINC001008001943	680659623	/nfs/dbraw/zinc/65/96/23/680659623.db2.gz	HAXFFTDQEGLVSH-LTUQZUHASA-N	1	1	357.479	2.124	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1	ZINC000844124881	681040325	/nfs/dbraw/zinc/04/03/25/681040325.db2.gz	IBXSXAWWKNXLBM-JKSUJKDBSA-N	1	1	350.821	2.477	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](c2c(F)cccc2Cl)C1	ZINC000844124881	681040327	/nfs/dbraw/zinc/04/03/27/681040327.db2.gz	IBXSXAWWKNXLBM-JKSUJKDBSA-N	1	1	350.821	2.477	20	30		FEEDMO
CC(=NNCCC[NH+]1CCOCC1)c1ccc(O)c(Br)c1	ZINC000844595330	681067926	/nfs/dbraw/zinc/06/79/26/681067926.db2.gz	ZSCPMYZPHDCIQW-UHFFFAOYSA-N	1	1	356.264	2.191	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCOCC2)CC1	ZINC001052388345	681076510	/nfs/dbraw/zinc/07/65/10/681076510.db2.gz	GBOPKOSAFRWGIK-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(Br)CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1	ZINC001052393094	681076930	/nfs/dbraw/zinc/07/69/30/681076930.db2.gz	DVSDUEOECKPKNJ-QLFBSQMISA-N	1	1	358.324	2.206	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCCO)C2)C1	ZINC001054212625	681106547	/nfs/dbraw/zinc/10/65/47/681106547.db2.gz	JSWOFWBIWAYMRO-BJLQDIEVSA-N	1	1	350.503	2.055	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNc1snc(Cl)c1C#N	ZINC001054409155	681107483	/nfs/dbraw/zinc/10/74/83/681107483.db2.gz	OZYTYDXNGPXRLH-GRYCIOLGSA-N	1	1	367.906	2.126	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001056802964	681156813	/nfs/dbraw/zinc/15/68/13/681156813.db2.gz	NHFCTBPUXRFPJP-NTZNESFSSA-N	1	1	367.906	2.411	20	30		FEEDMO
CCOC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000932644144	681275406	/nfs/dbraw/zinc/27/54/06/681275406.db2.gz	MNOWXWIPQBAXKE-LBPRGKRZSA-N	1	1	361.467	2.322	20	30		FEEDMO
CC(=O)[C@](C)(O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932943947	681332502	/nfs/dbraw/zinc/33/25/02/681332502.db2.gz	LOKDNWPKNRIRMH-HRDYMLBCSA-N	1	1	369.252	2.429	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CCCO1	ZINC000775793616	681335640	/nfs/dbraw/zinc/33/56/40/681335640.db2.gz	VZBAHVBDIBXSGN-DZGCQCFKSA-N	1	1	364.829	2.210	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CCCO1	ZINC000775793619	681335683	/nfs/dbraw/zinc/33/56/83/681335683.db2.gz	VZBAHVBDIBXSGN-ZFWWWQNUSA-N	1	1	364.829	2.210	20	30		FEEDMO
CCC1(CC)CNC(=O)[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000933291525	681388913	/nfs/dbraw/zinc/38/89/13/681388913.db2.gz	VCLDWEYDFVHUAO-ABAIWWIYSA-N	1	1	362.861	2.433	20	30		FEEDMO
C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC2(CC1)CC(=O)C=CO2	ZINC000933653256	681446188	/nfs/dbraw/zinc/44/61/88/681446188.db2.gz	RMSIFWGYTVWMDY-CQSZACIVSA-N	1	1	360.479	2.359	20	30		FEEDMO
CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O	ZINC000848009090	681461165	/nfs/dbraw/zinc/46/11/65/681461165.db2.gz	XHKKFVBRKGWXKZ-KSSFIOAISA-N	1	1	352.479	2.030	20	30		FEEDMO
CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C[N@H+]2CC[C@H](C)C2)C1=O	ZINC000848009090	681461168	/nfs/dbraw/zinc/46/11/68/681461168.db2.gz	XHKKFVBRKGWXKZ-KSSFIOAISA-N	1	1	352.479	2.030	20	30		FEEDMO
C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000934472592	681575643	/nfs/dbraw/zinc/57/56/43/681575643.db2.gz	OJBIQAYIPKLSKH-QWRGUYRKSA-N	1	1	355.360	2.198	20	30		FEEDMO
C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000934472592	681575647	/nfs/dbraw/zinc/57/56/47/681575647.db2.gz	OJBIQAYIPKLSKH-QWRGUYRKSA-N	1	1	355.360	2.198	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1	ZINC000781973740	681993861	/nfs/dbraw/zinc/99/38/61/681993861.db2.gz	DTGFICCNSDNNOK-UHFFFAOYSA-N	1	1	352.479	2.128	20	30		FEEDMO
N#Cc1c(F)cccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1	ZINC000851894714	682180228	/nfs/dbraw/zinc/18/02/28/682180228.db2.gz	PODIVIOUSSTRDC-CQSZACIVSA-N	1	1	351.447	2.098	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)C1CCOCC1	ZINC000851953091	682191303	/nfs/dbraw/zinc/19/13/03/682191303.db2.gz	XFOZQUJMDXBOMG-PBHICJAKSA-N	1	1	361.511	2.222	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)C1CCOCC1	ZINC000851953091	682191306	/nfs/dbraw/zinc/19/13/06/682191306.db2.gz	XFOZQUJMDXBOMG-PBHICJAKSA-N	1	1	361.511	2.222	20	30		FEEDMO
C#CCOCCNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000784399828	682223051	/nfs/dbraw/zinc/22/30/51/682223051.db2.gz	DRWUIJBGFUCULR-RHSMWYFYSA-N	1	1	367.852	2.421	20	30		FEEDMO
C=CCCN(C)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000786133070	682352611	/nfs/dbraw/zinc/35/26/11/682352611.db2.gz	UPDRLTZOKDMCEI-UHFFFAOYSA-N	1	1	354.495	2.147	20	30		FEEDMO
N#Cc1ncc(Br)cc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000853089748	682374980	/nfs/dbraw/zinc/37/49/80/682374980.db2.gz	XEULFXLHSHQNJL-ZDUSSCGKSA-N	1	1	351.248	2.017	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCC(C)(C)C)CCO2	ZINC000972560793	682421699	/nfs/dbraw/zinc/42/16/99/682421699.db2.gz	GDUIEGVOBJSJSW-FUHIMQAGSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2ccc(OC)c(OC(F)F)c2)CC1	ZINC000859003275	683024814	/nfs/dbraw/zinc/02/48/14/683024814.db2.gz	JCKLPLJCNGTHNZ-UHFFFAOYSA-N	1	1	352.381	2.007	20	30		FEEDMO
C=CC[C@H]1CC[N@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000859445099	683111061	/nfs/dbraw/zinc/11/10/61/683111061.db2.gz	AZFBXGVHERWEST-INIZCTEOSA-N	1	1	351.491	2.354	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@@H+]2CCn3c(Br)cnc3C2)c1	ZINC000796041342	683122149	/nfs/dbraw/zinc/12/21/49/683122149.db2.gz	NHAMPSNJFKUJIM-UHFFFAOYSA-N	1	1	374.242	2.362	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCn3c(Br)cnc3C2)c1	ZINC000796041342	683122151	/nfs/dbraw/zinc/12/21/51/683122151.db2.gz	NHAMPSNJFKUJIM-UHFFFAOYSA-N	1	1	374.242	2.362	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1	ZINC000860034460	683191333	/nfs/dbraw/zinc/19/13/33/683191333.db2.gz	URSPDMVXJAFWHV-ZMYBRWDISA-N	1	1	351.491	2.256	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1	ZINC000860034461	683191591	/nfs/dbraw/zinc/19/15/91/683191591.db2.gz	URSPDMVXJAFWHV-ZOCIIQOWSA-N	1	1	351.491	2.256	20	30		FEEDMO
CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000860196858	683214475	/nfs/dbraw/zinc/21/44/75/683214475.db2.gz	LHRFBBPUCHHNIY-CYBMUJFWSA-N	1	1	371.890	2.004	20	30		FEEDMO
CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000860196858	683214478	/nfs/dbraw/zinc/21/44/78/683214478.db2.gz	LHRFBBPUCHHNIY-CYBMUJFWSA-N	1	1	371.890	2.004	20	30		FEEDMO
CCCCCCCS(=O)(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000920274165	683328072	/nfs/dbraw/zinc/32/80/72/683328072.db2.gz	MMXZJJLTAMFUSO-ZJPYXAASSA-N	1	1	360.564	2.356	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cnc1C(F)(F)F	ZINC000928079534	683372523	/nfs/dbraw/zinc/37/25/23/683372523.db2.gz	IYIBWAFUBKQJFJ-STQMWFEESA-N	1	1	370.400	2.282	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cnc1C(F)(F)F	ZINC000928079534	683372527	/nfs/dbraw/zinc/37/25/27/683372527.db2.gz	IYIBWAFUBKQJFJ-STQMWFEESA-N	1	1	370.400	2.282	20	30		FEEDMO
N#Cc1cc(F)cc(C2(C(=O)N[C@H]3CCC[N@H+]4CCSC[C@@H]34)CC2)c1	ZINC000928080947	683373526	/nfs/dbraw/zinc/37/35/26/683373526.db2.gz	NBZYNXJHAJIQLX-IRXDYDNUSA-N	1	1	359.470	2.425	20	30		FEEDMO
C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)CC1	ZINC000921439121	683468298	/nfs/dbraw/zinc/46/82/98/683468298.db2.gz	SHADSJARSSVDNV-UHFFFAOYSA-N	1	1	362.495	2.291	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]12	ZINC000861837330	683483720	/nfs/dbraw/zinc/48/37/20/683483720.db2.gz	AKZQHCAQDCEXAN-USXIJHARSA-N	1	1	361.283	2.406	20	30		FEEDMO
CC(C)c1[nH+]ccn1CCNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000921527230	683492734	/nfs/dbraw/zinc/49/27/34/683492734.db2.gz	JSCGEGKKCNJXGZ-UHFFFAOYSA-N	1	1	350.419	2.137	20	30		FEEDMO
N#Cc1cc(Cl)cc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1	ZINC000929258505	683569857	/nfs/dbraw/zinc/56/98/57/683569857.db2.gz	TYGQQJRPXYXWNL-UHFFFAOYSA-N	1	1	360.889	2.342	20	30		FEEDMO
N#Cc1cc(Cl)cc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1	ZINC000929258505	683569861	/nfs/dbraw/zinc/56/98/61/683569861.db2.gz	TYGQQJRPXYXWNL-UHFFFAOYSA-N	1	1	360.889	2.342	20	30		FEEDMO
COCCS(=O)(=O)c1ccc(C[NH2+]Cc2csc(C#N)c2)cc1	ZINC000922057765	683648636	/nfs/dbraw/zinc/64/86/36/683648636.db2.gz	NAXULPKLSLMFDE-UHFFFAOYSA-N	1	1	350.465	2.330	20	30		FEEDMO
O=S1(=O)CCC[C@@H](N[NH+]=Cc2c(Cl)cccc2N2CCCC2)C1	ZINC000863132404	683679583	/nfs/dbraw/zinc/67/95/83/683679583.db2.gz	CFLFMIOWIWCWHJ-CYBMUJFWSA-N	1	1	355.891	2.441	20	30		FEEDMO
N#Cc1ccc(Br)c(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c1	ZINC000922226729	683682367	/nfs/dbraw/zinc/68/23/67/683682367.db2.gz	NEINZFUIYWVFNO-CYBMUJFWSA-N	1	1	350.216	2.394	20	30		FEEDMO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12	ZINC000922242663	683686542	/nfs/dbraw/zinc/68/65/42/683686542.db2.gz	MPYQTWDVIOGFQH-RCCFBDPRSA-N	1	1	356.495	2.425	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnc3ncc(Br)cc3c2)C1	ZINC000923563247	684306392	/nfs/dbraw/zinc/30/63/92/684306392.db2.gz	COCOQROXRGWBLC-OAHLLOKOSA-N	1	1	373.254	2.220	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnc3ncc(Br)cc3c2)C1	ZINC000923563247	684306394	/nfs/dbraw/zinc/30/63/94/684306394.db2.gz	COCOQROXRGWBLC-OAHLLOKOSA-N	1	1	373.254	2.220	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)C1	ZINC000923565714	684306936	/nfs/dbraw/zinc/30/69/36/684306936.db2.gz	DZCOMEGJDZXTOB-AWEZNQCLSA-N	1	1	359.857	2.294	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(N3CCCC3=O)ccc2Cl)C1	ZINC000923565714	684306943	/nfs/dbraw/zinc/30/69/43/684306943.db2.gz	DZCOMEGJDZXTOB-AWEZNQCLSA-N	1	1	359.857	2.294	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl	ZINC000931801799	684350930	/nfs/dbraw/zinc/35/09/30/684350930.db2.gz	HCNKKVVBDZPWTB-UHFFFAOYSA-N	1	1	351.760	2.175	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](C2OCCO2)C1	ZINC000932003596	684387018	/nfs/dbraw/zinc/38/70/18/684387018.db2.gz	WRXKTQZTDKQVNO-CABCVRRESA-N	1	1	350.484	2.346	20	30		FEEDMO
C=CCCC[C@@H]1NC(=O)N([C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)C1=O	ZINC000924630980	684475863	/nfs/dbraw/zinc/47/58/63/684475863.db2.gz	CKWYCEVTEOGDMW-IXDOHACOSA-N	1	1	351.491	2.400	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])c1nc(-c2ncc(Br)c(OC)n2)no1	ZINC000872179869	684925375	/nfs/dbraw/zinc/92/53/75/684925375.db2.gz	KMSJQWJGBRLNKC-ZETCQYMHSA-N	1	1	360.599	2.440	20	30		FEEDMO
CCn1c(=O)c2ccccc2nc1N=NC1CCC[N@H+]2CCSC[C@@H]12	ZINC000872337603	684937848	/nfs/dbraw/zinc/93/78/48/684937848.db2.gz	DDDAFLNUTLOQOX-INIZCTEOSA-N	1	1	357.483	2.396	20	30		FEEDMO
N#Cc1cnc(Cl)c(CNc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c1	ZINC000877485114	686388843	/nfs/dbraw/zinc/38/88/43/686388843.db2.gz	LBQBAASTQJATJC-UHFFFAOYSA-N	1	1	355.829	2.062	20	30		FEEDMO
N#Cc1cnc(Cl)c(CNc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1	ZINC000877485114	686388849	/nfs/dbraw/zinc/38/88/49/686388849.db2.gz	LBQBAASTQJATJC-UHFFFAOYSA-N	1	1	355.829	2.062	20	30		FEEDMO
COC(=O)[C@]12CCC[C@H]1[N@H+]([C@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000880183146	687012776	/nfs/dbraw/zinc/01/27/76/687012776.db2.gz	MYVBSUIQICXJPB-IYOUNJFTSA-N	1	1	359.451	2.143	20	30		FEEDMO
CO[C@@H]1COCC[C@H]1[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000880423058	687046122	/nfs/dbraw/zinc/04/61/22/687046122.db2.gz	BJJBUNGNWNZXPB-IAGOWNOFSA-N	1	1	365.861	2.322	20	30		FEEDMO
CO[C@@H]1COCC[C@H]1[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000880423058	687046125	/nfs/dbraw/zinc/04/61/25/687046125.db2.gz	BJJBUNGNWNZXPB-IAGOWNOFSA-N	1	1	365.861	2.322	20	30		FEEDMO
CSc1ccc(CNC(=O)NCC[NH+]2CCSCC2)cc1C#N	ZINC000884197041	687815910	/nfs/dbraw/zinc/81/59/10/687815910.db2.gz	ITMGXBWQJPKOBZ-UHFFFAOYSA-N	1	1	350.513	2.128	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)NCCc2cc(C(F)(F)F)ccn2)C1	ZINC000884375444	687858276	/nfs/dbraw/zinc/85/82/76/687858276.db2.gz	ZDOMASQKBGHNCS-HNNXBMFYSA-N	1	1	354.376	2.040	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)NCCc2cc(C(F)(F)F)ccn2)C1	ZINC000884375444	687858285	/nfs/dbraw/zinc/85/82/85/687858285.db2.gz	ZDOMASQKBGHNCS-HNNXBMFYSA-N	1	1	354.376	2.040	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H]1C[C@@]1(C)Br	ZINC000892223391	689166761	/nfs/dbraw/zinc/16/67/61/689166761.db2.gz	IAUKJEZWMWZXHQ-TYNCELHUSA-N	1	1	350.264	2.032	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1C[C@@]1(C)Br	ZINC000892223391	689166763	/nfs/dbraw/zinc/16/67/63/689166763.db2.gz	IAUKJEZWMWZXHQ-TYNCELHUSA-N	1	1	350.264	2.032	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1nc(C#N)cs1	ZINC000894231959	689491273	/nfs/dbraw/zinc/49/12/73/689491273.db2.gz	AOXKLFWLWMGWJO-BBRMVZONSA-N	1	1	355.467	2.334	20	30		FEEDMO
C[N@@H+]1CCN(Cc2csc(C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000894285952	689500787	/nfs/dbraw/zinc/50/07/87/689500787.db2.gz	SOBDNACYYSNRIL-CQSZACIVSA-N	1	1	350.488	2.260	20	30		FEEDMO
C[N@H+]1CCN(Cc2csc(C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000894285952	689500793	/nfs/dbraw/zinc/50/07/93/689500793.db2.gz	SOBDNACYYSNRIL-CQSZACIVSA-N	1	1	350.488	2.260	20	30		FEEDMO
O=C1[C@@H]([NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CCCN1O	ZINC000895157915	689669435	/nfs/dbraw/zinc/66/94/35/689669435.db2.gz	FZTBJCSHICUPMT-AWEZNQCLSA-N	1	1	354.332	2.361	20	30		FEEDMO
CCOc1cc(C[NH2+][C@@H]2CCCN(O)C2=O)cc(Br)c1OC	ZINC000895164302	689669715	/nfs/dbraw/zinc/66/97/15/689669715.db2.gz	CCORCAQRHZWPCX-GFCCVEGCSA-N	1	1	373.247	2.326	20	30		FEEDMO
C#C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccc(Cl)cc1	ZINC000895684894	689754464	/nfs/dbraw/zinc/75/44/64/689754464.db2.gz	GTAAGTPSEGCHAX-KSZLIROESA-N	1	1	361.873	2.255	20	30		FEEDMO
CC(C)(C)OC(=O)NCCN1CCC([NH2+]Cc2nc(C#N)cs2)CC1	ZINC000897626902	690052377	/nfs/dbraw/zinc/05/23/77/690052377.db2.gz	XANMWXMKXQAMNH-UHFFFAOYSA-N	1	1	365.503	2.093	20	30		FEEDMO
C[C@@](O)(C[NH2+]Cc1nccn1CC(F)(F)F)C(F)(F)C(F)(F)F	ZINC000905097535	691067104	/nfs/dbraw/zinc/06/71/04/691067104.db2.gz	MGXRYTMNGMEPST-MRVPVSSYSA-N	1	1	355.229	2.484	20	30		FEEDMO
C[C@](O)(C[NH2+]Cc1nccn1CC(F)(F)F)C(F)(F)C(F)(F)F	ZINC000905097536	691067411	/nfs/dbraw/zinc/06/74/11/691067411.db2.gz	MGXRYTMNGMEPST-QMMMGPOBSA-N	1	1	355.229	2.484	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000906396755	691263729	/nfs/dbraw/zinc/26/37/29/691263729.db2.gz	ILELFNBYNGZASX-GJZGRUSLSA-N	1	1	364.408	2.081	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC000907254521	691433527	/nfs/dbraw/zinc/43/35/27/691433527.db2.gz	WCBXWAAZVXCJGV-GFCCVEGCSA-N	1	1	372.288	2.035	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(C#N)sc4ccccc43)CC[C@H]21	ZINC000907319495	691451592	/nfs/dbraw/zinc/45/15/92/691451592.db2.gz	ZPRHJAPKZJIUAQ-TZMCWYRMSA-N	1	1	361.492	2.488	20	30		FEEDMO
C=CCn1c(-c2cnsn2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1	ZINC000908720290	691718484	/nfs/dbraw/zinc/71/84/84/691718484.db2.gz	OZGIIVDKCVSJLR-CYBMUJFWSA-N	1	1	359.503	2.293	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CN(c3cc(F)c(C#N)cc3-c3ccnc(Cl)n3)C[C@H]21	ZINC001164668052	719397099	/nfs/dbraw/zinc/39/70/99/719397099.db2.gz	PTBRLYDUCJUUOZ-IAGOWNOFSA-N	1	1	373.819	2.327	20	30		FEEDMO
Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C#N)n1	ZINC001164837371	720555898	/nfs/dbraw/zinc/55/58/98/720555898.db2.gz	MCBWXZKHLRHNKY-FGTMMUONSA-N	1	1	365.485	2.231	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)cc(C#N)n4)C[C@@H]3C2)cn1	ZINC001164764862	721111573	/nfs/dbraw/zinc/11/15/73/721111573.db2.gz	IGPDLYWSYDTBSU-CABCVRRESA-N	1	1	356.861	2.298	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(Cl)cc(C#N)n4)C[C@H]3C2)cn1	ZINC001164764867	721112173	/nfs/dbraw/zinc/11/21/73/721112173.db2.gz	IGPDLYWSYDTBSU-HUUCEWRRSA-N	1	1	356.861	2.298	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2C#N)[C@@H]2CCCO[C@@H]12	ZINC001164811154	721542539	/nfs/dbraw/zinc/54/25/39/721542539.db2.gz	YWRBRNJIUOIKHB-VAMGGRTRSA-N	1	1	374.448	2.088	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2C#N)[C@@H]2CCCO[C@@H]12	ZINC001164811154	721542542	/nfs/dbraw/zinc/54/25/42/721542542.db2.gz	YWRBRNJIUOIKHB-VAMGGRTRSA-N	1	1	374.448	2.088	20	30		FEEDMO
Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)n1	ZINC001164903827	721549695	/nfs/dbraw/zinc/54/96/95/721549695.db2.gz	DCBPLXZOWGHIQH-RDJZCZTQSA-N	1	1	353.401	2.138	20	30		FEEDMO
Cc1nc(C#N)cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164908697	721566545	/nfs/dbraw/zinc/56/65/45/721566545.db2.gz	RSGYJWDXFRNHDH-SJLPKXTDSA-N	1	1	353.401	2.138	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccncc2)ccc1C#N	ZINC001164929178	721876925	/nfs/dbraw/zinc/87/69/25/721876925.db2.gz	AHWQXKWMMDPICI-PMACEKPBSA-N	1	1	362.481	2.230	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc(-c2ccncc2)ccc1C#N	ZINC001164929178	721876926	/nfs/dbraw/zinc/87/69/26/721876926.db2.gz	AHWQXKWMMDPICI-PMACEKPBSA-N	1	1	362.481	2.230	20	30		FEEDMO
Cc1ccc(C#N)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164982314	722106076	/nfs/dbraw/zinc/10/60/76/722106076.db2.gz	NKMIKTUPVATYIY-WOJBJXKFSA-N	1	1	363.465	2.384	20	30		FEEDMO
COc1ccc(CNC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1OC	ZINC000026324093	539782819	/nfs/dbraw/zinc/78/28/19/539782819.db2.gz	PMMQCKYOGOYACP-UHFFFAOYSA-N	1	1	353.422	2.324	20	30		FEEDMO
COc1ccc(CNC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC	ZINC000026324093	539782823	/nfs/dbraw/zinc/78/28/23/539782823.db2.gz	PMMQCKYOGOYACP-UHFFFAOYSA-N	1	1	353.422	2.324	20	30		FEEDMO
CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)c1	ZINC000026330338	539783754	/nfs/dbraw/zinc/78/37/54/539783754.db2.gz	NXIGLWVWJGPKEB-AWEZNQCLSA-N	1	1	350.422	2.377	20	30		FEEDMO
CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c1	ZINC000026330338	539783757	/nfs/dbraw/zinc/78/37/57/539783757.db2.gz	NXIGLWVWJGPKEB-AWEZNQCLSA-N	1	1	350.422	2.377	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)[NH+]1CCOCC1	ZINC000029783442	539864319	/nfs/dbraw/zinc/86/43/19/539864319.db2.gz	XEIHSADVPYOHRJ-FUHWJXTLSA-N	1	1	359.470	2.189	20	30		FEEDMO
CCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000030969151	539894964	/nfs/dbraw/zinc/89/49/64/539894964.db2.gz	RDCRNSTUUFSMSC-BEFAXECRSA-N	1	1	350.507	2.058	20	30		FEEDMO
C=CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)Cc1ccccc1	ZINC000045796856	540228035	/nfs/dbraw/zinc/22/80/35/540228035.db2.gz	RUDXRKNCNCOMGL-UHFFFAOYSA-N	1	1	365.481	2.204	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(NC(=O)C2CC2)CC1	ZINC000046722010	540268242	/nfs/dbraw/zinc/26/82/42/540268242.db2.gz	ARWZILLTARYTJN-MRXNPFEDSA-N	1	1	368.481	2.312	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cccc(C#N)c1	ZINC000046517930	540261177	/nfs/dbraw/zinc/26/11/77/540261177.db2.gz	PIHDAXTYMWIVJI-UHFFFAOYSA-N	1	1	366.440	2.478	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1cccc(C#N)c1	ZINC000046517930	540261179	/nfs/dbraw/zinc/26/11/79/540261179.db2.gz	PIHDAXTYMWIVJI-UHFFFAOYSA-N	1	1	366.440	2.478	20	30		FEEDMO
CN(C)S(=O)(=O)c1ccc(OCC[N@@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000046528789	540261478	/nfs/dbraw/zinc/26/14/78/540261478.db2.gz	HNILNEFLAFLFJP-UHFFFAOYSA-N	1	1	373.478	2.319	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2nnc3n2CCC3)CC1	ZINC000047258793	540298671	/nfs/dbraw/zinc/29/86/71/540298671.db2.gz	XDVNGALBZTUWAT-CQSZACIVSA-N	1	1	364.453	2.303	20	30		FEEDMO
N#Cc1ccc(OCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1	ZINC000047276416	540301170	/nfs/dbraw/zinc/30/11/70/540301170.db2.gz	WCPFMXSKBSIFLI-UHFFFAOYSA-N	1	1	365.433	2.086	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000051056721	540420755	/nfs/dbraw/zinc/42/07/55/540420755.db2.gz	DZYOSGQJHYBNFJ-LJCCNALRSA-N	1	1	364.534	2.446	20	30		FEEDMO
C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCOc1cccc(C#N)c1	ZINC000051563338	540437700	/nfs/dbraw/zinc/43/77/00/540437700.db2.gz	HJTIVQOCXNUDKC-AWEZNQCLSA-N	1	1	359.451	2.277	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C3CC3)C3CCCCC3)CC2)o1	ZINC000052664813	540480188	/nfs/dbraw/zinc/48/01/88/540480188.db2.gz	LDTGWAIUACNOKF-UHFFFAOYSA-N	1	1	371.485	2.300	20	30		FEEDMO
Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000053420071	540533757	/nfs/dbraw/zinc/53/37/57/540533757.db2.gz	OVANABAQJHKKEK-NRFANRHFSA-N	1	1	365.477	2.424	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(c3cncc(-n4cccn4)n3)CC2)cc1	ZINC000108101726	209282554	/nfs/dbraw/zinc/28/25/54/209282554.db2.gz	UHGFTNWNQQMKQM-UHFFFAOYSA-N	1	1	359.437	2.246	20	30		FEEDMO
CCN(CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)C[C@@H](C)C#N	ZINC000064248671	541197277	/nfs/dbraw/zinc/19/72/77/541197277.db2.gz	BIABGSDCTZUXIK-SFHVURJKSA-N	1	1	372.513	2.211	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000064533318	541210027	/nfs/dbraw/zinc/21/00/27/541210027.db2.gz	SVXWZIJMMDCQTI-UHFFFAOYSA-N	1	1	364.449	2.323	20	30		FEEDMO
CC(C)[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc([N+](=O)[O-])cc1	ZINC000064349985	541202070	/nfs/dbraw/zinc/20/20/70/541202070.db2.gz	DLWOGZJSALIQDO-UHFFFAOYSA-N	1	1	357.414	2.461	20	30		FEEDMO
CC(C)[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc([N+](=O)[O-])cc1	ZINC000064349985	541202073	/nfs/dbraw/zinc/20/20/73/541202073.db2.gz	DLWOGZJSALIQDO-UHFFFAOYSA-N	1	1	357.414	2.461	20	30		FEEDMO
Cc1noc(C)c1CN1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1	ZINC000065682071	541253177	/nfs/dbraw/zinc/25/31/77/541253177.db2.gz	POYAFJMFACALPU-UHFFFAOYSA-N	1	1	373.482	2.371	20	30		FEEDMO
COC(=O)c1ccc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)cc1	ZINC000066437492	541318254	/nfs/dbraw/zinc/31/82/54/541318254.db2.gz	INBMEWPICSQSSC-UHFFFAOYSA-N	1	1	350.422	2.452	20	30		FEEDMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1	ZINC000067380053	541452991	/nfs/dbraw/zinc/45/29/91/541452991.db2.gz	DYNWTUMNAKSWTE-UHFFFAOYSA-N	1	1	370.840	2.398	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[N@H+](C3CC3)CC2)c1	ZINC000067561731	541481004	/nfs/dbraw/zinc/48/10/04/541481004.db2.gz	UYVQENQBMVXNBR-UHFFFAOYSA-N	1	1	357.454	2.277	20	30		FEEDMO
CC[N@@H+](CCNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)C1CC1	ZINC000542838995	541484215	/nfs/dbraw/zinc/48/42/15/541484215.db2.gz	VPJBDEADPAXYJX-UHFFFAOYSA-N	1	1	356.405	2.489	20	30		FEEDMO
N#CCc1cccc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)c1	ZINC000068230459	541566419	/nfs/dbraw/zinc/56/64/19/541566419.db2.gz	RJLCSPBAZUMMPV-UHFFFAOYSA-N	1	1	369.387	2.479	20	30		FEEDMO
CN(CC#N)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000068971730	541645582	/nfs/dbraw/zinc/64/55/82/541645582.db2.gz	XBJVTSOVNXGWRP-UHFFFAOYSA-N	1	1	362.477	2.376	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000069111093	541658398	/nfs/dbraw/zinc/65/83/98/541658398.db2.gz	PJOKGEPVGIRAEY-INIZCTEOSA-N	1	1	361.465	2.306	20	30		FEEDMO
CC(C)(C)NC(=O)C[N@@H+]1CCCN(Cc2cn3ccccc3c2C#N)CC1	ZINC000073349898	541945970	/nfs/dbraw/zinc/94/59/70/541945970.db2.gz	ATVZGYUZLCBGHH-UHFFFAOYSA-N	1	1	367.497	2.233	20	30		FEEDMO
CC(C)(C)NC(=O)C[N@H+]1CCCN(Cc2cn3ccccc3c2C#N)CC1	ZINC000073349898	541945974	/nfs/dbraw/zinc/94/59/74/541945974.db2.gz	ATVZGYUZLCBGHH-UHFFFAOYSA-N	1	1	367.497	2.233	20	30		FEEDMO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccccc2C#N)CC1	ZINC000076324983	542260242	/nfs/dbraw/zinc/26/02/42/542260242.db2.gz	JVMHYUNVJNPPJB-UHFFFAOYSA-N	1	1	356.514	2.474	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000076333666	542262298	/nfs/dbraw/zinc/26/22/98/542262298.db2.gz	NSRRVZOUTOOPKJ-KBPBESRZSA-N	1	1	372.494	2.230	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000077373270	542373996	/nfs/dbraw/zinc/37/39/96/542373996.db2.gz	ANLJAVLTSRRCPP-GOSISDBHSA-N	1	1	355.463	2.420	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000077373270	542374000	/nfs/dbraw/zinc/37/40/00/542374000.db2.gz	ANLJAVLTSRRCPP-GOSISDBHSA-N	1	1	355.463	2.420	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC000077468628	542385270	/nfs/dbraw/zinc/38/52/70/542385270.db2.gz	QKVHZNDMVKZGCJ-HUUCEWRRSA-N	1	1	361.515	2.448	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccccc2)CC1	ZINC000078300577	542453222	/nfs/dbraw/zinc/45/32/22/542453222.db2.gz	LAFVTVIICWNIIV-IIBYNOLFSA-N	1	1	370.497	2.324	20	30		FEEDMO
Cc1cc(-c2noc(C[N@@H+](C)CCCc3[nH]nc(N)c3C#N)n2)ccc1F	ZINC000089943592	542776224	/nfs/dbraw/zinc/77/62/24/542776224.db2.gz	QUYPOZRMOCWFLL-UHFFFAOYSA-N	1	1	369.404	2.426	20	30		FEEDMO
COCC[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@H](C)C(N)=O	ZINC000093139346	542911793	/nfs/dbraw/zinc/91/17/93/542911793.db2.gz	DRPFDQIKMQBOCN-MRXNPFEDSA-N	1	1	367.449	2.459	20	30		FEEDMO
COCC[N@@H+](Cc1cccc(OCc2ccccc2C#N)c1)[C@H](C)C(N)=O	ZINC000093139346	542911797	/nfs/dbraw/zinc/91/17/97/542911797.db2.gz	DRPFDQIKMQBOCN-MRXNPFEDSA-N	1	1	367.449	2.459	20	30		FEEDMO
C#CCCOc1ccc(C[NH+]2CCN(Cc3noc(CC)n3)CC2)cc1	ZINC000093283814	542923459	/nfs/dbraw/zinc/92/34/59/542923459.db2.gz	JBCPJRFXMDZYOO-UHFFFAOYSA-N	1	1	354.454	2.352	20	30		FEEDMO
N#Cc1ccc(OC(F)F)c(NC(=O)NCCC[NH+]2CCOCC2)c1	ZINC000103587341	543114682	/nfs/dbraw/zinc/11/46/82/543114682.db2.gz	XLQWCZAZLQVONN-UHFFFAOYSA-N	1	1	354.357	2.003	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1CCCN1c1cccnn1	ZINC000106087084	543193000	/nfs/dbraw/zinc/19/30/00/543193000.db2.gz	ADWYXZMTABYDML-KRWDZBQOSA-N	1	1	364.453	2.278	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)cc2C1=O	ZINC000106789970	543247438	/nfs/dbraw/zinc/24/74/38/543247438.db2.gz	MBTSAXKPKXJKOO-HNNXBMFYSA-N	1	1	367.449	2.215	20	30		FEEDMO
C[N@@H+]1CCC[C@H](CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000108590233	543296035	/nfs/dbraw/zinc/29/60/35/543296035.db2.gz	LEUOZZALGBERSD-HXUWFJFHSA-N	1	1	369.513	2.117	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000108590233	543296038	/nfs/dbraw/zinc/29/60/38/543296038.db2.gz	LEUOZZALGBERSD-HXUWFJFHSA-N	1	1	369.513	2.117	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1	ZINC000110271293	543354208	/nfs/dbraw/zinc/35/42/08/543354208.db2.gz	LYLDVJJJSMXMEF-GOSISDBHSA-N	1	1	370.497	2.417	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1	ZINC000110271293	543354210	/nfs/dbraw/zinc/35/42/10/543354210.db2.gz	LYLDVJJJSMXMEF-GOSISDBHSA-N	1	1	370.497	2.417	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000111268365	543390795	/nfs/dbraw/zinc/39/07/95/543390795.db2.gz	JROBUCWOZALUCM-QGZVFWFLSA-N	1	1	356.470	2.008	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)cc1	ZINC000114194900	543507787	/nfs/dbraw/zinc/50/77/87/543507787.db2.gz	PADZSISTPMNROW-OAHLLOKOSA-N	1	1	369.450	2.446	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)cc1	ZINC000114194900	543507789	/nfs/dbraw/zinc/50/77/89/543507789.db2.gz	PADZSISTPMNROW-OAHLLOKOSA-N	1	1	369.450	2.446	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C(C)(C)C(=O)N(C)C	ZINC000114457378	543517118	/nfs/dbraw/zinc/51/71/18/543517118.db2.gz	VJRFZFOYRSUJNX-ZDUSSCGKSA-N	1	1	362.499	2.333	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000118126568	543648029	/nfs/dbraw/zinc/64/80/29/543648029.db2.gz	GFCOQHUYXLEWMP-KRWDZBQOSA-N	1	1	372.469	2.298	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1	ZINC000118897876	543662029	/nfs/dbraw/zinc/66/20/29/543662029.db2.gz	SXPBGNGUNAHRCR-GJZGRUSLSA-N	1	1	374.510	2.335	20	30		FEEDMO
CCC[NH+]1CCC(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000124826596	543845024	/nfs/dbraw/zinc/84/50/24/543845024.db2.gz	MVJKHDCHUMTDQT-UHFFFAOYSA-N	1	1	357.426	2.237	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1	ZINC000125499966	543884923	/nfs/dbraw/zinc/88/49/23/543884923.db2.gz	ZJJLTODNKPVAIP-UHFFFAOYSA-N	1	1	357.380	2.370	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000125853621	543905637	/nfs/dbraw/zinc/90/56/37/543905637.db2.gz	HEXJCYNZKANGHR-IEBWSBKVSA-N	1	1	352.438	2.296	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000125853621	543905639	/nfs/dbraw/zinc/90/56/39/543905639.db2.gz	HEXJCYNZKANGHR-IEBWSBKVSA-N	1	1	352.438	2.296	20	30		FEEDMO
CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1	ZINC000128094720	544031859	/nfs/dbraw/zinc/03/18/59/544031859.db2.gz	KMKCVVWICOVKLQ-BFYDXBDKSA-N	1	1	372.469	2.043	20	30		FEEDMO
N#Cc1ccc(C(F)(F)F)c(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1	ZINC000127995928	544026612	/nfs/dbraw/zinc/02/66/12/544026612.db2.gz	ANWJGJRPNNLRRT-OAHLLOKOSA-N	1	1	366.387	2.496	20	30		FEEDMO
C[NH+]1CCC(Oc2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cn2)CC1	ZINC000129508555	544116231	/nfs/dbraw/zinc/11/62/31/544116231.db2.gz	MZKHQMUNZDJEKC-UHFFFAOYSA-N	1	1	372.450	2.227	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)CC1	ZINC000129692783	544123726	/nfs/dbraw/zinc/12/37/26/544123726.db2.gz	IYRGOXAIPMJKPT-UHFFFAOYSA-N	1	1	359.437	2.246	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000130493172	544153469	/nfs/dbraw/zinc/15/34/69/544153469.db2.gz	VBSIJTPMZISEKJ-QGZVFWFLSA-N	1	1	372.513	2.105	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(OC[C@H]2CCOC2)CC1	ZINC000131732659	544204420	/nfs/dbraw/zinc/20/44/20/544204420.db2.gz	GYZOITWYJQNOKQ-HOTGVXAUSA-N	1	1	357.454	2.403	20	30		FEEDMO
N#CCCN(Cc1ccccn1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000132883112	544247188	/nfs/dbraw/zinc/24/71/88/544247188.db2.gz	JYYIKIUOXYHGQI-HXUWFJFHSA-N	1	1	364.449	2.225	20	30		FEEDMO
N#CCCN(Cc1ccccn1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000132883112	544247191	/nfs/dbraw/zinc/24/71/91/544247191.db2.gz	JYYIKIUOXYHGQI-HXUWFJFHSA-N	1	1	364.449	2.225	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000133496219	544272160	/nfs/dbraw/zinc/27/21/60/544272160.db2.gz	MRVMLVIPNXZVJE-JKSUJKDBSA-N	1	1	358.442	2.163	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)CC1	ZINC000133847088	544285785	/nfs/dbraw/zinc/28/57/85/544285785.db2.gz	DDHPIOBBIYWHKY-UHFFFAOYSA-N	1	1	368.403	2.480	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1	ZINC000134876364	544324684	/nfs/dbraw/zinc/32/46/84/544324684.db2.gz	IWOAARHBKFMFDJ-YFVAEKQCSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1	ZINC000134876364	544324687	/nfs/dbraw/zinc/32/46/87/544324687.db2.gz	IWOAARHBKFMFDJ-YFVAEKQCSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1	ZINC000134876364	544324688	/nfs/dbraw/zinc/32/46/88/544324688.db2.gz	IWOAARHBKFMFDJ-YFVAEKQCSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000134876364	544324691	/nfs/dbraw/zinc/32/46/91/544324691.db2.gz	IWOAARHBKFMFDJ-YFVAEKQCSA-N	1	1	355.482	2.247	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1	ZINC000151862410	544589480	/nfs/dbraw/zinc/58/94/80/544589480.db2.gz	HASRZJVANRWIGA-DZGCQCFKSA-N	1	1	370.453	2.025	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1)C1CC1	ZINC000151899707	544593591	/nfs/dbraw/zinc/59/35/91/544593591.db2.gz	VYMWXURMSSBLCQ-UHFFFAOYSA-N	1	1	363.465	2.239	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@@H]1CCSC1	ZINC000152615407	544674496	/nfs/dbraw/zinc/67/44/96/544674496.db2.gz	FFFYPGZTNRJEHK-MRXNPFEDSA-N	1	1	359.495	2.365	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CC[NH+](C[C@H](O)COCc2ccco2)CC1	ZINC000153807881	544825895	/nfs/dbraw/zinc/82/58/95/544825895.db2.gz	NFUNIGGXVDTPJB-AZUAARDMSA-N	1	1	355.438	2.040	20	30		FEEDMO
C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1cccc(C#N)c1	ZINC000181964693	327754795	/nfs/dbraw/zinc/75/47/95/327754795.db2.gz	QFMNJELMOLNFIL-OAHLLOKOSA-N	1	1	373.478	2.022	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000185388331	327913947	/nfs/dbraw/zinc/91/39/47/327913947.db2.gz	VRKUBDFXAXWHMC-INIZCTEOSA-N	1	1	359.451	2.148	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)[C@@H](C)C1	ZINC000188691199	328104571	/nfs/dbraw/zinc/10/45/71/328104571.db2.gz	ZOXGQSAYQDGSLO-DLBZAZTESA-N	1	1	359.470	2.021	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1	ZINC000190003718	328181760	/nfs/dbraw/zinc/18/17/60/328181760.db2.gz	LYELFEBJBUJBBO-VQIMIIECSA-N	1	1	358.486	2.223	20	30		FEEDMO
Cn1cc(C[NH2+]CCCN2CCN(C)C[C@@H]2c2ccccc2)cc1C#N	ZINC000190752393	328230216	/nfs/dbraw/zinc/23/02/16/328230216.db2.gz	PEYXJMZAWGJSBS-OAQYLSRUSA-N	1	1	351.498	2.365	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc4c3OCCO4)C2=O)cc1	ZINC000192244172	328308708	/nfs/dbraw/zinc/30/87/08/328308708.db2.gz	RLFFGUDYJAFVLY-SFHVURJKSA-N	1	1	363.417	2.220	20	30		FEEDMO
COc1cccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1OC	ZINC000192245420	328308772	/nfs/dbraw/zinc/30/87/72/328308772.db2.gz	XDQFSUDPVVWAFW-GOSISDBHSA-N	1	1	365.433	2.466	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000192984689	328350758	/nfs/dbraw/zinc/35/07/58/328350758.db2.gz	SSEDQLKIFDOQER-INIZCTEOSA-N	1	1	373.453	2.498	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3Cl)CC2)nc1	ZINC000193849433	328398766	/nfs/dbraw/zinc/39/87/66/328398766.db2.gz	LAAACODSEHBZHX-INIZCTEOSA-N	1	1	372.856	2.169	20	30		FEEDMO
N#Cc1cccc(CNC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1	ZINC000042320111	324523854	/nfs/dbraw/zinc/52/38/54/324523854.db2.gz	NKQRKULBWLDLJC-UHFFFAOYSA-N	1	1	364.449	2.390	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1	ZINC000056597676	324809400	/nfs/dbraw/zinc/80/94/00/324809400.db2.gz	GZGJOVVYPRCUQP-QGZVFWFLSA-N	1	1	360.458	2.435	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000081097704	325160242	/nfs/dbraw/zinc/16/02/42/325160242.db2.gz	ZYXPRTJJBOLAFH-QAPCUYQASA-N	1	1	366.483	2.233	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000081097704	325160244	/nfs/dbraw/zinc/16/02/44/325160244.db2.gz	ZYXPRTJJBOLAFH-QAPCUYQASA-N	1	1	366.483	2.233	20	30		FEEDMO
CC(=O)Nc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1	ZINC000091936661	325398935	/nfs/dbraw/zinc/39/89/35/325398935.db2.gz	IWAKIPWVIVBJDF-AWEZNQCLSA-N	1	1	350.426	2.017	20	30		FEEDMO
CC(=O)Nc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1	ZINC000091936661	325398938	/nfs/dbraw/zinc/39/89/38/325398938.db2.gz	IWAKIPWVIVBJDF-AWEZNQCLSA-N	1	1	350.426	2.017	20	30		FEEDMO
COCCOC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000116887019	326039966	/nfs/dbraw/zinc/03/99/66/326039966.db2.gz	VGAZHUBDCVTAEV-UHFFFAOYSA-N	1	1	351.834	2.278	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC[C@H]3C(C)C)CC2)o1	ZINC000117347491	326058396	/nfs/dbraw/zinc/05/83/96/326058396.db2.gz	NTALZUZSHIPOEJ-KRWDZBQOSA-N	1	1	359.474	2.014	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@H](C)CO)c1C#N	ZINC000118959686	326113067	/nfs/dbraw/zinc/11/30/67/326113067.db2.gz	VCEOCGYCQUHILC-GFCCVEGCSA-N	1	1	358.417	2.356	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@H](C)CO)c1C#N	ZINC000118959686	326113069	/nfs/dbraw/zinc/11/30/69/326113069.db2.gz	VCEOCGYCQUHILC-GFCCVEGCSA-N	1	1	358.417	2.356	20	30		FEEDMO
CC[C@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC[N@H+]1C[C@@H](C)O	ZINC000119152200	326132057	/nfs/dbraw/zinc/13/20/57/326132057.db2.gz	GVIWOIJZGJBFHR-QAPCUYQASA-N	1	1	354.454	2.490	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c(C#N)c1C	ZINC000119390590	326156626	/nfs/dbraw/zinc/15/66/26/326156626.db2.gz	XTWIQCWGGPQWFO-ZFWWWQNUSA-N	1	1	356.430	2.099	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cn3ccnn3)C2)c(C#N)c1C	ZINC000119390590	326156629	/nfs/dbraw/zinc/15/66/29/326156629.db2.gz	XTWIQCWGGPQWFO-ZFWWWQNUSA-N	1	1	356.430	2.099	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1Cl	ZINC000121237559	326324198	/nfs/dbraw/zinc/32/41/98/326324198.db2.gz	GEDXEXRRZPZCAO-UHFFFAOYSA-N	1	1	374.872	2.485	20	30		FEEDMO
Cc1c(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cnn1C	ZINC000121872928	326373184	/nfs/dbraw/zinc/37/31/84/326373184.db2.gz	OMOZCMLABSSWKN-UHFFFAOYSA-N	1	1	366.469	2.018	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)C[NH+]1CCOCC1	ZINC000150718123	326666416	/nfs/dbraw/zinc/66/64/16/326666416.db2.gz	KGIHAXQQVWIGNT-VQIMIIECSA-N	1	1	359.470	2.046	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CCN2CC[NH+](C3CCCCC3)CC2)cc1	ZINC000163922110	327061517	/nfs/dbraw/zinc/06/15/17/327061517.db2.gz	GRYDMSFLDRZUSZ-UHFFFAOYSA-N	1	1	361.511	2.282	20	30		FEEDMO
N#Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)ccc1C(F)(F)F	ZINC000167256548	327084429	/nfs/dbraw/zinc/08/44/29/327084429.db2.gz	KHOSRZQAHRRFKH-INIZCTEOSA-N	1	1	366.387	2.496	20	30		FEEDMO
C[N@@H+](CCCNC(=O)CNC(=O)c1ccc(C#N)cc1)C1CCCCC1	ZINC000171109822	327118757	/nfs/dbraw/zinc/11/87/57/327118757.db2.gz	XNLQYCWSSLGZID-UHFFFAOYSA-N	1	1	356.470	2.059	20	30		FEEDMO
COCC[N@@H+](C)CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1	ZINC000171128226	327119908	/nfs/dbraw/zinc/11/99/08/327119908.db2.gz	CUOCBQNZIAFYCN-UHFFFAOYSA-N	1	1	367.449	2.445	20	30		FEEDMO
N#Cc1ccc(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)o1	ZINC000174371053	327322769	/nfs/dbraw/zinc/32/27/69/327322769.db2.gz	FAWLJBGTXZBBHQ-KRWDZBQOSA-N	1	1	352.438	2.138	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](CC(N)=O)C1)CCC2	ZINC000175251998	327382585	/nfs/dbraw/zinc/38/25/85/327382585.db2.gz	KFVINAVHDBIDRM-LBPRGKRZSA-N	1	1	360.483	2.024	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1	ZINC000264011780	328984292	/nfs/dbraw/zinc/98/42/92/328984292.db2.gz	OWDIBJVXINQTAG-HXUWFJFHSA-N	1	1	364.449	2.494	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(c3nc(C)cc(C)c3C#N)CC2)CC1	ZINC000264552810	329035139	/nfs/dbraw/zinc/03/51/39/329035139.db2.gz	LUNONTOEAUUCBU-UHFFFAOYSA-N	1	1	369.513	2.341	20	30		FEEDMO
Cc1nn(C)c(C)c1C[NH+]1CCN(c2nc3c(cc2C#N)CCC3)CC1	ZINC000264833073	329065796	/nfs/dbraw/zinc/06/57/96/329065796.db2.gz	ZSOAMHWTUIVSCO-UHFFFAOYSA-N	1	1	350.470	2.115	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(Nc2c(C#N)cnc3c(C)cc(F)cc32)CC1	ZINC000266100160	329190244	/nfs/dbraw/zinc/19/02/44/329190244.db2.gz	PTKZYNXGBZZKIB-UHFFFAOYSA-N	1	1	355.417	2.176	20	30		FEEDMO
CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000266232374	329203009	/nfs/dbraw/zinc/20/30/09/329203009.db2.gz	UTUFAKNWTXHSSQ-LBPRGKRZSA-N	1	1	361.389	2.292	20	30		FEEDMO
CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000266232374	329203011	/nfs/dbraw/zinc/20/30/11/329203011.db2.gz	UTUFAKNWTXHSSQ-LBPRGKRZSA-N	1	1	361.389	2.292	20	30		FEEDMO
CN(C)c1[nH+]cc(CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)n1C	ZINC000267625254	329344318	/nfs/dbraw/zinc/34/43/18/329344318.db2.gz	PAAHEOSLOIQNRO-UHFFFAOYSA-N	1	1	352.442	2.232	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1	ZINC000267955522	329371537	/nfs/dbraw/zinc/37/15/37/329371537.db2.gz	SBBRBHBDEQYZIP-QFBILLFUSA-N	1	1	367.497	2.011	20	30		FEEDMO
COc1coc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1=O	ZINC000268563072	329435042	/nfs/dbraw/zinc/43/50/42/329435042.db2.gz	PNRXQUHRTUIHFN-UHFFFAOYSA-N	1	1	367.405	2.371	20	30		FEEDMO
C[NH+]1CCN(C[C@H]2CCCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1	ZINC000367214067	330231011	/nfs/dbraw/zinc/23/10/11/330231011.db2.gz	ZDYUHUYWIMBXAP-MRXNPFEDSA-N	1	1	360.889	2.311	20	30		FEEDMO
N#Cc1ccc(C2=CC[N@H+](CC(=O)N3CCC4(CC3)OCCO4)CC2)cc1	ZINC000367215653	330231373	/nfs/dbraw/zinc/23/13/73/330231373.db2.gz	KOGXQWKDAGPXDE-UHFFFAOYSA-N	1	1	367.449	2.013	20	30		FEEDMO
N#Cc1ccc(C2=CC[N@@H+](CC(=O)N3CCC4(CC3)OCCO4)CC2)cc1	ZINC000367215653	330231375	/nfs/dbraw/zinc/23/13/75/330231375.db2.gz	KOGXQWKDAGPXDE-UHFFFAOYSA-N	1	1	367.449	2.013	20	30		FEEDMO
CN(CC(=O)NCc1ccco1)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000328644586	522405696	/nfs/dbraw/zinc/40/56/96/522405696.db2.gz	RWONMQZSZWFOLT-HNAYVOBHSA-N	1	1	359.474	2.485	20	30		FEEDMO
Cn1cc([C@H]2[C@H](C[N@H+](C)CC(=O)NCc3ccco3)CCCN2C)cn1	ZINC000328644586	522405707	/nfs/dbraw/zinc/40/57/07/522405707.db2.gz	RWONMQZSZWFOLT-HNAYVOBHSA-N	1	1	359.474	2.485	20	30		FEEDMO
Cn1cc([C@H]2[C@H](C[N@@H+](C)CC(=O)NCc3ccco3)CCCN2C)cn1	ZINC000328644586	522405715	/nfs/dbraw/zinc/40/57/15/522405715.db2.gz	RWONMQZSZWFOLT-HNAYVOBHSA-N	1	1	359.474	2.485	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1	ZINC000155415431	545523489	/nfs/dbraw/zinc/52/34/89/545523489.db2.gz	UUPAHMUQVYVEMJ-CRAIPNDOSA-N	1	1	365.437	2.183	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H]2OCCC[C@@H]2C1	ZINC000155415431	545523494	/nfs/dbraw/zinc/52/34/94/545523494.db2.gz	UUPAHMUQVYVEMJ-CRAIPNDOSA-N	1	1	365.437	2.183	20	30		FEEDMO
COc1ccc(OCCC[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1	ZINC000155494544	545532923	/nfs/dbraw/zinc/53/29/23/545532923.db2.gz	VWLYYSFGXPXADU-INIZCTEOSA-N	1	1	367.453	2.336	20	30		FEEDMO
COc1ccc(OCCC[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1	ZINC000155494544	545532926	/nfs/dbraw/zinc/53/29/26/545532926.db2.gz	VWLYYSFGXPXADU-INIZCTEOSA-N	1	1	367.453	2.336	20	30		FEEDMO
CN(C)c1nc(N2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)cc[nH+]1	ZINC000157467392	545744327	/nfs/dbraw/zinc/74/43/27/545744327.db2.gz	CEZHPZPPDKVKSU-UHFFFAOYSA-N	1	1	370.844	2.030	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NCCCCN2CC[NH+](C)CC2)cc1C#N	ZINC000157833837	545788865	/nfs/dbraw/zinc/78/88/65/545788865.db2.gz	RHHQILFPIHVFAD-UHFFFAOYSA-N	1	1	373.501	2.495	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@](C)(C(N)=O)c1ccccc1	ZINC000158202211	545834713	/nfs/dbraw/zinc/83/47/13/545834713.db2.gz	OREAUMQJJQAZOY-WIYYLYMNSA-N	1	1	354.450	2.145	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccc(OCC#N)cc2)C[C@@H](C)O1	ZINC000170804397	546177135	/nfs/dbraw/zinc/17/71/35/546177135.db2.gz	NDVBUNSTACYRKZ-HZPDHXFCSA-N	1	1	374.485	2.276	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cccnc2N2CCN(C)CC2)cc1	ZINC000171563464	546214232	/nfs/dbraw/zinc/21/42/32/546214232.db2.gz	WQTRYJIXORRJOL-QGZVFWFLSA-N	1	1	365.481	2.414	20	30		FEEDMO
COc1cccc([C@@H](C)[NH+]2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)c1	ZINC000171705978	546219484	/nfs/dbraw/zinc/21/94/84/546219484.db2.gz	NOPLQDNFRSEZDO-IAGOWNOFSA-N	1	1	358.486	2.134	20	30		FEEDMO
C=CCOc1ccccc1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1	ZINC000173296377	546278108	/nfs/dbraw/zinc/27/81/08/546278108.db2.gz	CYKRDVZLZZXWPO-SFHVURJKSA-N	1	1	357.498	2.494	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000176001642	546389034	/nfs/dbraw/zinc/38/90/34/546389034.db2.gz	GWPLBQUTBQBPDT-INIZCTEOSA-N	1	1	358.417	2.017	20	30		FEEDMO
C[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H]1[NH+]1CCOCC1	ZINC000177233696	546576056	/nfs/dbraw/zinc/57/60/56/546576056.db2.gz	AUGKNCSAQFTPTD-HOCLYGCPSA-N	1	1	359.474	2.299	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NCC[NH+]2CCCCC2)cc1C(F)(F)F	ZINC000177629292	546655876	/nfs/dbraw/zinc/65/58/76/546655876.db2.gz	SHXITEGZIAWCKR-UHFFFAOYSA-N	1	1	361.389	2.341	20	30		FEEDMO
CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000481067216	561224392	/nfs/dbraw/zinc/22/43/92/561224392.db2.gz	FLTNJORBQHJGJX-MRXNPFEDSA-N	1	1	353.463	2.333	20	30		FEEDMO
COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(C#N)cc1Br	ZINC000481094025	561225200	/nfs/dbraw/zinc/22/52/00/561225200.db2.gz	PVCGJGVUIPRZGM-OAHLLOKOSA-N	1	1	355.232	2.379	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000481132559	561225895	/nfs/dbraw/zinc/22/58/95/561225895.db2.gz	XKEVSYTVPAMXTM-ROUUACIJSA-N	1	1	357.498	2.438	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC(C)(C)CN1CCOCC1	ZINC000178934465	546876391	/nfs/dbraw/zinc/87/63/91/546876391.db2.gz	HWSIQJNVQZLFFW-UHFFFAOYSA-N	1	1	358.486	2.177	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000481829289	561243442	/nfs/dbraw/zinc/24/34/42/561243442.db2.gz	JCWAPORYRUBXNH-RTBURBONSA-N	1	1	371.525	2.480	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)c2cc(S(C)(=O)=O)ccc2CC)CC1	ZINC000179344352	546936087	/nfs/dbraw/zinc/93/60/87/546936087.db2.gz	PWKOHIGQUOIZMY-UHFFFAOYSA-N	1	1	350.484	2.033	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000180407437	547103028	/nfs/dbraw/zinc/10/30/28/547103028.db2.gz	RYDFWQSZUXHHTB-KBPBESRZSA-N	1	1	372.444	2.405	20	30		FEEDMO
C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCNC(=O)C3N=CC=CC3=O)CC2)C1	ZINC000180882650	547201224	/nfs/dbraw/zinc/20/12/24/547201224.db2.gz	LVXJUWBHHFKYET-DBROBJPSSA-N	1	1	360.502	2.146	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H](CC(N)=O)c1ccccc1	ZINC000483097166	561267232	/nfs/dbraw/zinc/26/72/32/561267232.db2.gz	GXQDZXCUBZNTTG-OAHLLOKOSA-N	1	1	356.451	2.497	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@@H]1C	ZINC000181093887	547248928	/nfs/dbraw/zinc/24/89/28/547248928.db2.gz	YVHASOJKSJQYLD-QWHCGFSZSA-N	1	1	352.276	2.208	20	30		FEEDMO
COC(=O)c1ccc(N2CC[N@H+](Cc3cc(C#N)n(C)c3)[C@H](C)C2)cc1	ZINC000483257064	561271868	/nfs/dbraw/zinc/27/18/68/561271868.db2.gz	PPUCQHMBVRAQKB-OAHLLOKOSA-N	1	1	352.438	2.394	20	30		FEEDMO
COC(=O)c1ccc(N2CC[N@@H+](Cc3cc(C#N)n(C)c3)[C@H](C)C2)cc1	ZINC000483257064	561271869	/nfs/dbraw/zinc/27/18/69/561271869.db2.gz	PPUCQHMBVRAQKB-OAHLLOKOSA-N	1	1	352.438	2.394	20	30		FEEDMO
CC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1cccc(S(N)(=O)=O)c1	ZINC000181751710	547374629	/nfs/dbraw/zinc/37/46/29/547374629.db2.gz	MZBQGUCDOAZMGL-QGZVFWFLSA-N	1	1	359.451	2.455	20	30		FEEDMO
CC(C)OC(=O)C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1	ZINC000181835149	547388165	/nfs/dbraw/zinc/38/81/65/547388165.db2.gz	GHUPWDJXGMLXOT-PXNSSMCTSA-N	1	1	357.454	2.467	20	30		FEEDMO
COc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ncn1	ZINC000182198697	547451532	/nfs/dbraw/zinc/45/15/32/547451532.db2.gz	CSCMAVRQILHTJK-UHFFFAOYSA-N	1	1	366.425	2.097	20	30		FEEDMO
COc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ncn1	ZINC000182198697	547451535	/nfs/dbraw/zinc/45/15/35/547451535.db2.gz	CSCMAVRQILHTJK-UHFFFAOYSA-N	1	1	366.425	2.097	20	30		FEEDMO
CCC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000182751157	547546411	/nfs/dbraw/zinc/54/64/11/547546411.db2.gz	VQIDSSKPXWFVCW-IBGZPJMESA-N	1	1	358.461	2.409	20	30		FEEDMO
C[C@H]([NH2+][C@H](C[S@](C)=O)c1ccccc1)C(=O)NC1(C#N)CCCCC1	ZINC000183075710	547596774	/nfs/dbraw/zinc/59/67/74/547596774.db2.gz	NUBBXOSLWRGDKV-XMJUDYLUSA-N	1	1	361.511	2.427	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1)C1CC1	ZINC000183173016	547615176	/nfs/dbraw/zinc/61/51/76/547615176.db2.gz	QFMBCAGCOLKEQE-MRXNPFEDSA-N	1	1	369.391	2.347	20	30		FEEDMO
CCN(CC(=O)N[C@@](C)(C#N)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000183759135	547714836	/nfs/dbraw/zinc/71/48/36/547714836.db2.gz	KTTXIBYVBHUOFX-CTNGQTDRSA-N	1	1	354.498	2.391	20	30		FEEDMO
Cc1nccc(N2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)n1	ZINC000183792752	547720680	/nfs/dbraw/zinc/72/06/80/547720680.db2.gz	XTRDDHJXWMZJCF-UHFFFAOYSA-N	1	1	373.464	2.379	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH2+][C@H](CO)c1cccc(Br)c1	ZINC000183885726	547733768	/nfs/dbraw/zinc/73/37/68/547733768.db2.gz	KHVDAXFPTFYVAM-OAHLLOKOSA-N	1	1	353.260	2.273	20	30		FEEDMO
CC1([C@H]2CCC[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)OCCO1	ZINC000183910524	547737572	/nfs/dbraw/zinc/73/75/72/547737572.db2.gz	MXAVHLDXSLWOJW-FUHWJXTLSA-N	1	1	355.438	2.139	20	30		FEEDMO
CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)nc1	ZINC000184333584	547808954	/nfs/dbraw/zinc/80/89/54/547808954.db2.gz	QKVGVEGRUOYACK-LJQANCHMSA-N	1	1	372.494	2.388	20	30		FEEDMO
CC[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1nc(C)cs1	ZINC000184398950	547820856	/nfs/dbraw/zinc/82/08/56/547820856.db2.gz	NXWHRAHIZWUREX-JKSUJKDBSA-N	1	1	363.531	2.185	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1	ZINC000185866758	548048101	/nfs/dbraw/zinc/04/81/01/548048101.db2.gz	RWESYLNFFBOOJW-INIZCTEOSA-N	1	1	365.499	2.213	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1	ZINC000186938051	548224062	/nfs/dbraw/zinc/22/40/62/548224062.db2.gz	PUQYXUPQGNBHFZ-IBGZPJMESA-N	1	1	361.461	2.250	20	30		FEEDMO
C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccc(F)c(F)c1	ZINC000187766165	548262906	/nfs/dbraw/zinc/26/29/06/548262906.db2.gz	KPCRHBBYRKMVOR-KPZWWZAWSA-N	1	1	365.424	2.297	20	30		FEEDMO
C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1ccc(F)c(F)c1	ZINC000187776157	548263732	/nfs/dbraw/zinc/26/37/32/548263732.db2.gz	NQVVUGWODICCSW-YVEFUNNKSA-N	1	1	365.424	2.284	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1OC	ZINC000190449694	548325602	/nfs/dbraw/zinc/32/56/02/548325602.db2.gz	LCDVDHVVOIDWMI-JTQLQIEISA-N	1	1	370.247	2.120	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H](C(N)=O)O1	ZINC000191549430	548346582	/nfs/dbraw/zinc/34/65/82/548346582.db2.gz	WEXFZRSXCAOJEH-YLJYHZDGSA-N	1	1	363.461	2.461	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H](C(N)=O)O1	ZINC000191549430	548346586	/nfs/dbraw/zinc/34/65/86/548346586.db2.gz	WEXFZRSXCAOJEH-YLJYHZDGSA-N	1	1	363.461	2.461	20	30		FEEDMO
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000192808443	548373227	/nfs/dbraw/zinc/37/32/27/548373227.db2.gz	AWAIYFRPMKCCIQ-OWYHZJEWSA-N	1	1	367.449	2.327	20	30		FEEDMO
COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000192808443	548373231	/nfs/dbraw/zinc/37/32/31/548373231.db2.gz	AWAIYFRPMKCCIQ-OWYHZJEWSA-N	1	1	367.449	2.327	20	30		FEEDMO
CCOc1cccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1	ZINC000486884872	561358909	/nfs/dbraw/zinc/35/89/09/561358909.db2.gz	KDXKYHLVHFYIAQ-SFHVURJKSA-N	1	1	350.422	2.243	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1	ZINC000487745176	561374872	/nfs/dbraw/zinc/37/48/72/561374872.db2.gz	VQPHKJJBLYIBLW-NEWSRXKRSA-N	1	1	372.513	2.394	20	30		FEEDMO
C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[N@H+]1CCC[C@@H](C)C1	ZINC000245394446	548905784	/nfs/dbraw/zinc/90/57/84/548905784.db2.gz	FQAJMPQLRLYNFH-HUUCEWRRSA-N	1	1	366.469	2.176	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3[C@H](C)C[C@@H]4CCCC[C@@H]43)CC2)o1	ZINC000245458939	548925807	/nfs/dbraw/zinc/92/58/07/548925807.db2.gz	VBVDCJIQJQCZRC-HFTRVMKXSA-N	1	1	371.485	2.156	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1	ZINC000245507677	548935852	/nfs/dbraw/zinc/93/58/52/548935852.db2.gz	IHAYAKFLONBRHD-DENIHFKCSA-N	1	1	364.445	2.472	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1	ZINC000245507677	548935855	/nfs/dbraw/zinc/93/58/55/548935855.db2.gz	IHAYAKFLONBRHD-DENIHFKCSA-N	1	1	364.445	2.472	20	30		FEEDMO
CC[C@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1CCOC	ZINC000245536698	548940616	/nfs/dbraw/zinc/94/06/16/548940616.db2.gz	XSKMOOMQRBYTTB-ICSRJNTNSA-N	1	1	370.497	2.096	20	30		FEEDMO
CCCC(=O)N[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245534467	548940634	/nfs/dbraw/zinc/94/06/34/548940634.db2.gz	VYXVJLPWKHJROV-HKUYNNGSSA-N	1	1	368.481	2.434	20	30		FEEDMO
CCCC(=O)N[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245534467	548940637	/nfs/dbraw/zinc/94/06/37/548940637.db2.gz	VYXVJLPWKHJROV-HKUYNNGSSA-N	1	1	368.481	2.434	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2cccc(OCC#N)c2)[C@@H](C)C1	ZINC000245548559	548944238	/nfs/dbraw/zinc/94/42/38/548944238.db2.gz	FTYQMZBEEIRKPQ-PXNSSMCTSA-N	1	1	373.497	2.385	20	30		FEEDMO
CC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@H](C)c1cccc(O)c1	ZINC000245563291	548947716	/nfs/dbraw/zinc/94/77/16/548947716.db2.gz	PTNONAZJZOOIBB-XLIONFOSSA-N	1	1	372.513	2.467	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@H](C)c1cccc(O)c1	ZINC000245563291	548947719	/nfs/dbraw/zinc/94/77/19/548947719.db2.gz	PTNONAZJZOOIBB-XLIONFOSSA-N	1	1	372.513	2.467	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1	ZINC000245647964	548965185	/nfs/dbraw/zinc/96/51/85/548965185.db2.gz	MBHCXVFVUXNVNE-OALUTQOASA-N	1	1	362.433	2.367	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)c1	ZINC000245901604	549014593	/nfs/dbraw/zinc/01/45/93/549014593.db2.gz	UGBUADBPQQKWLU-LPHOPBHVSA-N	1	1	366.465	2.362	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000245970230	549029340	/nfs/dbraw/zinc/02/93/40/549029340.db2.gz	NYVJIIWQXRXGEX-MOPGFXCFSA-N	1	1	352.438	2.339	20	30		FEEDMO
Cn1cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000245970230	549029344	/nfs/dbraw/zinc/02/93/44/549029344.db2.gz	NYVJIIWQXRXGEX-MOPGFXCFSA-N	1	1	352.438	2.339	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCS[C@H]3CCCC[C@H]32)CC1	ZINC000245988152	549032429	/nfs/dbraw/zinc/03/24/29/549032429.db2.gz	HPVGNGJDZVZFJE-SQNIBIBYSA-N	1	1	364.559	2.039	20	30		FEEDMO
Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)n1	ZINC000246093496	549049697	/nfs/dbraw/zinc/04/96/97/549049697.db2.gz	NYUBPQBBRWOSBR-WOJBJXKFSA-N	1	1	369.513	2.219	20	30		FEEDMO
Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)n1	ZINC000246093496	549049703	/nfs/dbraw/zinc/04/97/03/549049703.db2.gz	NYUBPQBBRWOSBR-WOJBJXKFSA-N	1	1	369.513	2.219	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](Cn2ccnn2)C1	ZINC000246581312	549167149	/nfs/dbraw/zinc/16/71/49/549167149.db2.gz	GCXQEECJPWTLAR-QZTJIDSGSA-N	1	1	366.469	2.325	20	30		FEEDMO
C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000246703951	549191937	/nfs/dbraw/zinc/19/19/37/549191937.db2.gz	KGLXURQAETYACP-RMJJICAUSA-N	1	1	354.498	2.484	20	30		FEEDMO
C=CCn1cccc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000488824684	561397808	/nfs/dbraw/zinc/39/78/08/561397808.db2.gz	ZKRVRUBFWVDDKQ-MOPGFXCFSA-N	1	1	353.466	2.287	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC[C@H]21	ZINC000246832729	549224861	/nfs/dbraw/zinc/22/48/61/549224861.db2.gz	BTOPUOIAJNHKPN-CZUORRHYSA-N	1	1	353.875	2.316	20	30		FEEDMO
CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2	ZINC000247005413	549262801	/nfs/dbraw/zinc/26/28/01/549262801.db2.gz	QDZXHSILDHSWTE-FHLIZLRMSA-N	1	1	357.454	2.137	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(F)c2)C1	ZINC000489111506	561403499	/nfs/dbraw/zinc/40/34/99/561403499.db2.gz	PPHYLIPMAZBZKP-CYBMUJFWSA-N	1	1	353.463	2.486	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N	ZINC000489115012	561403808	/nfs/dbraw/zinc/40/38/08/561403808.db2.gz	FIYWMRYJPAUUBS-OKILXGFUSA-N	1	1	364.515	2.297	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)[N@@H+]1CCc2ccccc2C1	ZINC000489133273	561404246	/nfs/dbraw/zinc/40/42/46/561404246.db2.gz	SMZNBFFEGBQGTR-CQSZACIVSA-N	1	1	373.453	2.422	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)[N@H+]1CCc2ccccc2C1	ZINC000489133273	561404247	/nfs/dbraw/zinc/40/42/47/561404247.db2.gz	SMZNBFFEGBQGTR-CQSZACIVSA-N	1	1	373.453	2.422	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@H+]1CCC[C@H](C)C1	ZINC000248681363	549482694	/nfs/dbraw/zinc/48/26/94/549482694.db2.gz	OYZSPWYFGXYROF-LSDHHAIUSA-N	1	1	373.501	2.290	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1	ZINC000248797149	549503755	/nfs/dbraw/zinc/50/37/55/549503755.db2.gz	YWVGKTLLRLKWAG-WIYYLYMNSA-N	1	1	350.418	2.429	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C	ZINC000249639059	549613783	/nfs/dbraw/zinc/61/37/83/549613783.db2.gz	XLGBONKMUWUMQG-OGHNNQOOSA-N	1	1	360.483	2.134	20	30		FEEDMO
CCC[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CC[N@H+]1CCOC	ZINC000252799232	549678757	/nfs/dbraw/zinc/67/87/57/549678757.db2.gz	AGZCYDMZUJYUIE-SJLPKXTDSA-N	1	1	358.486	2.318	20	30		FEEDMO
C[NH+]=C(NCc1cn[nH]c1C)NC[C@@H](O)c1cc(Cl)cc(Cl)c1	ZINC000262013693	549779503	/nfs/dbraw/zinc/77/95/03/549779503.db2.gz	VIJRENJLRPSGNI-CQSZACIVSA-N	1	1	356.257	2.424	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)c1ccco1	ZINC000490287444	561430274	/nfs/dbraw/zinc/43/02/74/561430274.db2.gz	RMEKLPQDXXRJAL-AWEZNQCLSA-N	1	1	360.801	2.162	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[N@@H+](C)C1CC1	ZINC000263941535	549957890	/nfs/dbraw/zinc/95/78/90/549957890.db2.gz	QLHAULMGOZFISP-SNVBAGLBSA-N	1	1	361.389	2.338	20	30		FEEDMO
C#CCOc1cccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1	ZINC000264563479	549998041	/nfs/dbraw/zinc/99/80/41/549998041.db2.gz	SHDSWMOIIMYFMA-KRWDZBQOSA-N	1	1	371.462	2.118	20	30		FEEDMO
C=CCNC(=O)c1ccc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)nc1	ZINC000265168590	550007550	/nfs/dbraw/zinc/00/75/50/550007550.db2.gz	YGJFYIIOCUBCCS-INIZCTEOSA-N	1	1	351.454	2.276	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000265869198	550015017	/nfs/dbraw/zinc/01/50/17/550015017.db2.gz	VGLQKSBUSUZNFB-JKSUJKDBSA-N	1	1	351.491	2.422	20	30		FEEDMO
COCCOC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000266622402	550022210	/nfs/dbraw/zinc/02/22/10/550022210.db2.gz	LNXQVVOYTNERDN-ZWKOTPCHSA-N	1	1	359.470	2.307	20	30		FEEDMO
CN(C)C1(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CCOCC1	ZINC000267386636	550030522	/nfs/dbraw/zinc/03/05/22/550030522.db2.gz	BVJGUXYGLURFQQ-UHFFFAOYSA-N	1	1	358.408	2.221	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1c[nH+]c(N(C)C)n1C	ZINC000267629019	550033662	/nfs/dbraw/zinc/03/36/62/550033662.db2.gz	QCHBXMWFQCMOOX-UHFFFAOYSA-N	1	1	357.458	2.393	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1	ZINC000267725076	550033965	/nfs/dbraw/zinc/03/39/65/550033965.db2.gz	MILPKPOBIZHYAD-CABCVRRESA-N	1	1	366.531	2.049	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1	ZINC000267725076	550033968	/nfs/dbraw/zinc/03/39/68/550033968.db2.gz	MILPKPOBIZHYAD-CABCVRRESA-N	1	1	366.531	2.049	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[C@H]1C	ZINC000491470997	561445895	/nfs/dbraw/zinc/44/58/95/561445895.db2.gz	KKBXXBZWCPEJRM-OCCSQVGLSA-N	1	1	362.861	2.481	20	30		FEEDMO
N#CCc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1	ZINC000270871085	550315811	/nfs/dbraw/zinc/31/58/11/550315811.db2.gz	ODHIQTHIZRYQQP-RTWAWAEBSA-N	1	1	363.461	2.365	20	30		FEEDMO
CCC[C@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[N@H+]1CCOC	ZINC000270979514	550328042	/nfs/dbraw/zinc/32/80/42/550328042.db2.gz	CCENKIFUSSFWGF-FQEVSTJZSA-N	1	1	372.513	2.366	20	30		FEEDMO
Cc1[nH+]ccn1CCCON=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C	ZINC000271194434	550351112	/nfs/dbraw/zinc/35/11/12/550351112.db2.gz	GZYGDLHCJPXFJT-CYBMUJFWSA-N	1	1	353.467	2.373	20	30		FEEDMO
CO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(C#N)s3)CC2)n1	ZINC000271295845	550362084	/nfs/dbraw/zinc/36/20/84/550362084.db2.gz	SFXCALBWLCDGHC-ZDUSSCGKSA-N	1	1	361.471	2.418	20	30		FEEDMO
CO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)n1	ZINC000271295845	550362086	/nfs/dbraw/zinc/36/20/86/550362086.db2.gz	SFXCALBWLCDGHC-ZDUSSCGKSA-N	1	1	361.471	2.418	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)[C@@H]2C1	ZINC000272278355	550433918	/nfs/dbraw/zinc/43/39/18/550433918.db2.gz	DGFPOWHULQIBTR-XHDPSFHLSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)[C@@H]2C1	ZINC000272358763	550440509	/nfs/dbraw/zinc/44/05/09/550440509.db2.gz	RVNWMWNHXRAYJC-GOEBONIOSA-N	1	1	372.494	2.183	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)N3CCC(C)(C#N)CC3)cc2)CC1	ZINC000272416356	550445589	/nfs/dbraw/zinc/44/55/89/550445589.db2.gz	MOGUQBHSTBUZFP-UHFFFAOYSA-N	1	1	369.513	2.269	20	30		FEEDMO
C[C@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)C1=CC[N@@H+](C)CC1	ZINC000272740147	550467783	/nfs/dbraw/zinc/46/77/83/550467783.db2.gz	CQFSINHBAKGFIW-KRWDZBQOSA-N	1	1	367.497	2.430	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000274796775	550555136	/nfs/dbraw/zinc/55/51/36/550555136.db2.gz	DKPZWCWDUYHVKD-HBFSDRIKSA-N	1	1	356.514	2.495	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C	ZINC000274796775	550555137	/nfs/dbraw/zinc/55/51/37/550555137.db2.gz	DKPZWCWDUYHVKD-HBFSDRIKSA-N	1	1	356.514	2.495	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1	ZINC000275193118	550570962	/nfs/dbraw/zinc/57/09/62/550570962.db2.gz	DIJBQMYRPYWCAT-ZDUSSCGKSA-N	1	1	370.371	2.007	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(Br)c1[O-]	ZINC000277476773	550675255	/nfs/dbraw/zinc/67/52/55/550675255.db2.gz	KHWBPVRLDLICHL-GFCCVEGCSA-N	1	1	355.280	2.043	20	30		FEEDMO
Cc1ncc(CO)c(/C=N/C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1O	ZINC000277519288	550680137	/nfs/dbraw/zinc/68/01/37/550680137.db2.gz	VAAXLJTYBNMBAY-OZNZCJATSA-N	1	1	369.465	2.298	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1	ZINC000277582788	550687506	/nfs/dbraw/zinc/68/75/06/550687506.db2.gz	UDRDBGFKIHGDBZ-INIZCTEOSA-N	1	1	374.485	2.225	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc(CC(=O)NCc3ccc(C)cc3)no2)CC1	ZINC000277957550	550732991	/nfs/dbraw/zinc/73/29/91/550732991.db2.gz	RHPLTZPDSYKVKG-UHFFFAOYSA-N	1	1	352.438	2.050	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1	ZINC000279500822	550897017	/nfs/dbraw/zinc/89/70/17/550897017.db2.gz	GQPLGIILUKWYHW-KDURUIRLSA-N	1	1	374.444	2.087	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)n1	ZINC000279608796	550908233	/nfs/dbraw/zinc/90/82/33/550908233.db2.gz	WVWNGFUJIKOVGT-GOSISDBHSA-N	1	1	359.518	2.416	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@]2(CCOC2)O1	ZINC000280163757	550967010	/nfs/dbraw/zinc/96/70/10/550967010.db2.gz	FLJJTZQEEHGBRF-OXJNMPFZSA-N	1	1	367.453	2.239	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@]2(CCOC2)O1	ZINC000280163757	550967012	/nfs/dbraw/zinc/96/70/12/550967012.db2.gz	FLJJTZQEEHGBRF-OXJNMPFZSA-N	1	1	367.453	2.239	20	30		FEEDMO
C[C@@H]1OCC[C@@]12C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCO2	ZINC000280472340	550997835	/nfs/dbraw/zinc/99/78/35/550997835.db2.gz	PBGGSHIVOHACER-SCLBCKFNSA-N	1	1	363.845	2.420	20	30		FEEDMO
C=CCCCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000280578228	551009699	/nfs/dbraw/zinc/00/96/99/551009699.db2.gz	WMBQQDSUHZJWLE-HOTGVXAUSA-N	1	1	359.470	2.317	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1	ZINC000280658294	551018498	/nfs/dbraw/zinc/01/84/98/551018498.db2.gz	DRHOVYLDPMUNEV-FQEVSTJZSA-N	1	1	356.470	2.008	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1	ZINC000280662322	551018659	/nfs/dbraw/zinc/01/86/59/551018659.db2.gz	FGYQNHSKXACTAH-SCLBCKFNSA-N	1	1	360.483	2.217	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@](C)(C(N)=O)C1	ZINC000280662322	551018661	/nfs/dbraw/zinc/01/86/61/551018661.db2.gz	FGYQNHSKXACTAH-SCLBCKFNSA-N	1	1	360.483	2.217	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+](CCCO)Cc3ccccn3)C2=O)cc1	ZINC000281129803	551066505	/nfs/dbraw/zinc/06/65/05/551066505.db2.gz	YDRAPRZVDYHSKO-FQEVSTJZSA-N	1	1	364.449	2.333	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+](CCCO)Cc3ccccn3)C2=O)cc1	ZINC000281129803	551066507	/nfs/dbraw/zinc/06/65/07/551066507.db2.gz	YDRAPRZVDYHSKO-FQEVSTJZSA-N	1	1	364.449	2.333	20	30		FEEDMO
O=C1N[C@H]2CC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2CO1	ZINC000281210639	551074267	/nfs/dbraw/zinc/07/42/67/551074267.db2.gz	DBIWKKARMBHFAH-HIFRSBDPSA-N	1	1	354.328	2.367	20	30		FEEDMO
C=CCN1CC[C@H]([NH+]2CCC(c3nc(C(=O)OCC)cs3)CC2)C1=O	ZINC000281496345	551105198	/nfs/dbraw/zinc/10/51/98/551105198.db2.gz	XUMQICFUCDNJHU-HNNXBMFYSA-N	1	1	363.483	2.286	20	30		FEEDMO
C#C[C@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C	ZINC000281556798	551112909	/nfs/dbraw/zinc/11/29/09/551112909.db2.gz	OPPZGHBWDYBNHT-NUJGCVRESA-N	1	1	371.481	2.008	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000497370078	561499515	/nfs/dbraw/zinc/49/95/15/561499515.db2.gz	MTHFKEHGLULSAB-LPHOPBHVSA-N	1	1	370.497	2.191	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000497397820	561500033	/nfs/dbraw/zinc/50/00/33/561500033.db2.gz	VDUSDALLVLEEHD-MDZRGWNJSA-N	1	1	350.507	2.058	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1	ZINC000282444243	551229854	/nfs/dbraw/zinc/22/98/54/551229854.db2.gz	JTARKQBTYLPEHP-NQIIRXRSSA-N	1	1	366.465	2.234	20	30		FEEDMO
C=CCn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CC2)CC1	ZINC000282550758	551245372	/nfs/dbraw/zinc/24/53/72/551245372.db2.gz	IWGADDZSEXDXDY-UHFFFAOYSA-N	1	1	357.433	2.467	20	30		FEEDMO
C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCOc1ccccc1C#N	ZINC000497584621	561504288	/nfs/dbraw/zinc/50/42/88/561504288.db2.gz	IAWFHGDCDMAFGI-AWEZNQCLSA-N	1	1	359.451	2.277	20	30		FEEDMO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C)C1	ZINC000284769182	551628709	/nfs/dbraw/zinc/62/87/09/551628709.db2.gz	GZRQURBJJRFGJK-NEPJUHHUSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C)C1	ZINC000284769182	551628710	/nfs/dbraw/zinc/62/87/10/551628710.db2.gz	GZRQURBJJRFGJK-NEPJUHHUSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[NH+](C[C@H](C)O)CC1	ZINC000284776072	551630507	/nfs/dbraw/zinc/63/05/07/551630507.db2.gz	HPSXXHBAZQTCTM-CABCVRRESA-N	1	1	362.499	2.469	20	30		FEEDMO
CC(C)[C@H](C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000284776812	551630561	/nfs/dbraw/zinc/63/05/61/551630561.db2.gz	FWUSTONWBALEEY-AABGKKOBSA-N	1	1	365.481	2.300	20	30		FEEDMO
C[N@H+]1CCN(CC(=O)Nc2sccc2C#N)C[C@@H]1Cc1ccccc1	ZINC000284954534	551676240	/nfs/dbraw/zinc/67/62/40/551676240.db2.gz	ZKZFHWNQPSFVIN-KRWDZBQOSA-N	1	1	354.479	2.417	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1	ZINC000285771105	551808312	/nfs/dbraw/zinc/80/83/12/551808312.db2.gz	GNRWRYCNQKCIRI-LJQANCHMSA-N	1	1	357.498	2.438	20	30		FEEDMO
N#Cc1ccc(N2CCC([NH2+]C3CCN([C@@H]4CCC[C@@H]4O)CC3)CC2)cc1	ZINC000286096614	551848267	/nfs/dbraw/zinc/84/82/67/551848267.db2.gz	MIQLYVFKMZVUBN-YADHBBJMSA-N	1	1	368.525	2.494	20	30		FEEDMO
N#Cc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc(N)c1[N+](=O)[O-]	ZINC000286729352	551919730	/nfs/dbraw/zinc/91/97/30/551919730.db2.gz	FMZGVWLHEHLXJY-KRWDZBQOSA-N	1	1	367.409	2.227	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000287824091	552051579	/nfs/dbraw/zinc/05/15/79/552051579.db2.gz	BTRPIRZFRMRKJU-MJGOQNOKSA-N	1	1	357.498	2.438	20	30		FEEDMO
C=CCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000288171179	552103807	/nfs/dbraw/zinc/10/38/07/552103807.db2.gz	MPYMPHPRMRRHCL-PKOBYXMFSA-N	1	1	357.498	2.486	20	30		FEEDMO
C=CCOc1c(Br)cc(C[NH2+]Cc2cnnn2C)cc1OC	ZINC000288508785	552165510	/nfs/dbraw/zinc/16/55/10/552165510.db2.gz	STIYJBJEZADMLY-UHFFFAOYSA-N	1	1	367.247	2.441	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1	ZINC000288788704	552212953	/nfs/dbraw/zinc/21/29/53/552212953.db2.gz	KZSABNRVRRSVDB-JXFKEZNVSA-N	1	1	361.461	2.061	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)CCCCCn2nnc(-c3ccccc3)n2)C1=O	ZINC000500018048	561564220	/nfs/dbraw/zinc/56/42/20/561564220.db2.gz	KNKLJQUTNRAVQT-GOSISDBHSA-N	1	1	368.485	2.229	20	30		FEEDMO
COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1	ZINC000289175943	552277586	/nfs/dbraw/zinc/27/75/86/552277586.db2.gz	MVWMRSMYUSECPH-LJQANCHMSA-N	1	1	373.478	2.289	20	30		FEEDMO
Cc1cc(CNS(=O)(=O)c2ccc(C#N)cc2)cc(N2CCCC2)[nH+]1	ZINC000290193412	552440585	/nfs/dbraw/zinc/44/05/85/552440585.db2.gz	SJCMUPIGYWIUGV-UHFFFAOYSA-N	1	1	356.451	2.340	20	30		FEEDMO
C#Cc1ccccc1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000290289275	552454728	/nfs/dbraw/zinc/45/47/28/552454728.db2.gz	ASIZVHQHBSUVLA-YADHBBJMSA-N	1	1	362.473	2.210	20	30		FEEDMO
C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)CCCCOc1cccc(C#N)c1	ZINC000291479904	552628843	/nfs/dbraw/zinc/62/88/43/552628843.db2.gz	QBNKPUOZNSEHDR-YLJYHZDGSA-N	1	1	371.481	2.429	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC(F)(F)[C@H](CO)C2)cc1Cl	ZINC000291885687	552671799	/nfs/dbraw/zinc/67/17/99/552671799.db2.gz	QLSVFCPYAWGIQL-LBPRGKRZSA-N	1	1	357.788	2.490	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292086595	552692323	/nfs/dbraw/zinc/69/23/23/552692323.db2.gz	FDAMUVCLOFMBAD-SFHVURJKSA-N	1	1	361.405	2.307	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@@H+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1	ZINC000292693477	552750112	/nfs/dbraw/zinc/75/01/12/552750112.db2.gz	CSGSXIUOEMWRQW-CVEARBPZSA-N	1	1	363.483	2.084	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@H+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1	ZINC000292693477	552750113	/nfs/dbraw/zinc/75/01/13/552750113.db2.gz	CSGSXIUOEMWRQW-CVEARBPZSA-N	1	1	363.483	2.084	20	30		FEEDMO
CS(=O)(=O)C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000292717119	552752226	/nfs/dbraw/zinc/75/22/26/552752226.db2.gz	DULIVAQSYXASTD-INIZCTEOSA-N	1	1	372.494	2.330	20	30		FEEDMO
CS(=O)(=O)C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000292717119	552752227	/nfs/dbraw/zinc/75/22/27/552752227.db2.gz	DULIVAQSYXASTD-INIZCTEOSA-N	1	1	372.494	2.330	20	30		FEEDMO
Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1-n1cncn1	ZINC000292781223	552757938	/nfs/dbraw/zinc/75/79/38/552757938.db2.gz	LKRLZTAJTXEQEW-GOSISDBHSA-N	1	1	360.421	2.496	20	30		FEEDMO
C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000292857784	552765470	/nfs/dbraw/zinc/76/54/70/552765470.db2.gz	GPPLLIZSSYOLEV-IRXDYDNUSA-N	1	1	374.533	2.111	20	30		FEEDMO
C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C2)C1	ZINC000292904263	552769801	/nfs/dbraw/zinc/76/98/01/552769801.db2.gz	WIOPMBYSSYSWHY-INIZCTEOSA-N	1	1	353.875	2.318	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@H](CO)CC1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000293258624	552804302	/nfs/dbraw/zinc/80/43/02/552804302.db2.gz	UHCZABGDMVLPMD-INIZCTEOSA-N	1	1	368.399	2.268	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)nc1	ZINC000293415547	552821185	/nfs/dbraw/zinc/82/11/85/552821185.db2.gz	NOLMLIFSVMUXFM-KRWDZBQOSA-N	1	1	369.469	2.053	20	30		FEEDMO
C=CCOc1ccc(CC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1	ZINC000294971877	552948154	/nfs/dbraw/zinc/94/81/54/552948154.db2.gz	QQTPMVXDFKFMQF-FQEVSTJZSA-N	1	1	359.514	2.182	20	30		FEEDMO
C#CCCOc1ccc(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)cc1	ZINC000295009291	552950890	/nfs/dbraw/zinc/95/08/90/552950890.db2.gz	XHIGPRLJLQCVFS-SFHVURJKSA-N	1	1	357.498	2.092	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)[C@H](C)C1	ZINC000295270241	552978984	/nfs/dbraw/zinc/97/89/84/552978984.db2.gz	RZDFEJDKHXJOCD-DYVFJYSZSA-N	1	1	353.463	2.189	20	30		FEEDMO
CC(C)(C[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1)C(N)=O	ZINC000295513796	553018982	/nfs/dbraw/zinc/01/89/82/553018982.db2.gz	IBTYMYCODPUGES-AEFFLSMTSA-N	1	1	368.481	2.277	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000296323627	553141418	/nfs/dbraw/zinc/14/14/18/553141418.db2.gz	XNIKMPAZFQPMTK-MQVJKMGUSA-N	1	1	370.453	2.025	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1	ZINC000296393013	553152365	/nfs/dbraw/zinc/15/23/65/553152365.db2.gz	IKDQWUPMVBAPGO-AWEZNQCLSA-N	1	1	371.441	2.061	20	30		FEEDMO
C#Cc1ccc(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000296554195	553178694	/nfs/dbraw/zinc/17/86/94/553178694.db2.gz	FSKBVKBSPVWWPC-NRFANRHFSA-N	1	1	363.461	2.234	20	30		FEEDMO
N#Cc1ccc(OC(F)F)c(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1	ZINC000296567981	553181020	/nfs/dbraw/zinc/18/10/20/553181020.db2.gz	SRJWEIPIDKRWRY-ZDUSSCGKSA-N	1	1	368.384	2.128	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1	ZINC000502787263	561625540	/nfs/dbraw/zinc/62/55/40/561625540.db2.gz	HFYZHAKAQHFSNV-QZTJIDSGSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1	ZINC000502787263	561625541	/nfs/dbraw/zinc/62/55/41/561625541.db2.gz	HFYZHAKAQHFSNV-QZTJIDSGSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC1	ZINC000297971330	553364280	/nfs/dbraw/zinc/36/42/80/553364280.db2.gz	YEVNOLGWXSRNJR-UHFFFAOYSA-N	1	1	369.918	2.469	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000298032441	553374045	/nfs/dbraw/zinc/37/40/45/553374045.db2.gz	FSZHWNREMIFJOF-WFASDCNBSA-N	1	1	374.510	2.284	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCN(C=O)CC3)sc2C1	ZINC000298141659	553389528	/nfs/dbraw/zinc/38/95/28/553389528.db2.gz	LPWWYSMOYWEAJH-AWEZNQCLSA-N	1	1	374.510	2.237	20	30		FEEDMO
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000298722282	553464207	/nfs/dbraw/zinc/46/42/07/553464207.db2.gz	DHKMPDWXINGDMI-UHFFFAOYSA-N	1	1	372.469	2.164	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1	ZINC000298788166	553473079	/nfs/dbraw/zinc/47/30/79/553473079.db2.gz	IWMHDBCDDLAEOY-CQSZACIVSA-N	1	1	363.845	2.390	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1	ZINC000298788166	553473080	/nfs/dbraw/zinc/47/30/80/553473080.db2.gz	IWMHDBCDDLAEOY-CQSZACIVSA-N	1	1	363.845	2.390	20	30		FEEDMO
C[S@](=O)C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccccc1	ZINC000298851496	553481004	/nfs/dbraw/zinc/48/10/04/553481004.db2.gz	IPORPAPMNVTRFP-TWKFVSLJSA-N	1	1	373.503	2.434	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2	ZINC000299192719	553528044	/nfs/dbraw/zinc/52/80/44/553528044.db2.gz	SGPYVHAAKSHFGH-QFIPXVFZSA-N	1	1	369.509	2.188	20	30		FEEDMO
C[C@H](O)C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000299204496	553530668	/nfs/dbraw/zinc/53/06/68/553530668.db2.gz	GBALTRMNCUFWPR-WFASDCNBSA-N	1	1	351.834	2.012	20	30		FEEDMO
C[C@H](O)C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000299204496	553530669	/nfs/dbraw/zinc/53/06/69/553530669.db2.gz	GBALTRMNCUFWPR-WFASDCNBSA-N	1	1	351.834	2.012	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(C)CC1)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000301400232	553648747	/nfs/dbraw/zinc/64/87/47/553648747.db2.gz	PQOYNPAKXKIRAD-ZDUSSCGKSA-N	1	1	354.414	2.062	20	30		FEEDMO
COCCc1nsc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000301607927	553665545	/nfs/dbraw/zinc/66/55/45/553665545.db2.gz	ZRCNUQBZWOBHRR-UHFFFAOYSA-N	1	1	357.483	2.311	20	30		FEEDMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1nc2ccccn2c1C#N	ZINC000302476265	553717849	/nfs/dbraw/zinc/71/78/49/553717849.db2.gz	VKZDJOZYISRBOV-NRFANRHFSA-N	1	1	361.449	2.279	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)nc1	ZINC000302793475	553733033	/nfs/dbraw/zinc/73/30/33/553733033.db2.gz	NGXVUHPIHBCNQC-INIZCTEOSA-N	1	1	366.440	2.467	20	30		FEEDMO
Cn1cc([C@@H]2C[N@H+](CC(=O)N[C@@H]3CCCc4ccccc43)C[C@H]2CO)cn1	ZINC000328613916	553796237	/nfs/dbraw/zinc/79/62/37/553796237.db2.gz	QSJQEVQHFKTKKC-YSIASYRMSA-N	1	1	368.481	2.462	20	30		FEEDMO
Cn1cc([C@@H]2C[N@@H+](CC(=O)N[C@@H]3CCCc4ccccc43)C[C@H]2CO)cn1	ZINC000328613916	553796238	/nfs/dbraw/zinc/79/62/38/553796238.db2.gz	QSJQEVQHFKTKKC-YSIASYRMSA-N	1	1	368.481	2.462	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)C1	ZINC000328692877	553808336	/nfs/dbraw/zinc/80/83/36/553808336.db2.gz	JIFTZKCBXRGPRY-SQNIBIBYSA-N	1	1	367.534	2.178	20	30		FEEDMO
CNC(=O)NC1CN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1	ZINC000328698398	553808926	/nfs/dbraw/zinc/80/89/26/553808926.db2.gz	LTJFBJBAXWBCGS-HNNXBMFYSA-N	1	1	373.501	2.150	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)N[C@H]2CCC(=O)NC23CCC3)CC[N@H+]1CCOC	ZINC000328698668	553809352	/nfs/dbraw/zinc/80/93/52/553809352.db2.gz	LVVTZMJLEAMSFN-CVEARBPZSA-N	1	1	366.506	2.375	20	30		FEEDMO
CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCn2ncnc2C1	ZINC000328781397	553821354	/nfs/dbraw/zinc/82/13/54/553821354.db2.gz	UTVZMFGRGCBKIK-KRWDZBQOSA-N	1	1	368.485	2.308	20	30		FEEDMO
Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1S(C)(=O)=O	ZINC000328814565	553826202	/nfs/dbraw/zinc/82/62/02/553826202.db2.gz	GGUUDBIIMFLMSS-CABCVRRESA-N	1	1	351.472	2.160	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000505823184	561681838	/nfs/dbraw/zinc/68/18/38/561681838.db2.gz	GIPMNJMAOSSJLO-CALCHBBNSA-N	1	1	373.497	2.359	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O)Nc1nc2c(s1)CCC2	ZINC000328835697	553829973	/nfs/dbraw/zinc/82/99/73/553829973.db2.gz	SJJHTLLDIKOBCE-BNOWGMLFSA-N	1	1	351.472	2.082	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O)Nc1nc2c(s1)CCC2	ZINC000328835697	553829977	/nfs/dbraw/zinc/82/99/77/553829977.db2.gz	SJJHTLLDIKOBCE-BNOWGMLFSA-N	1	1	351.472	2.082	20	30		FEEDMO
C[N@H+](CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)[C@H]1CCSC1	ZINC000328851177	553832843	/nfs/dbraw/zinc/83/28/43/553832843.db2.gz	ZLUBCXXSLGCNFR-INIZCTEOSA-N	1	1	363.483	2.184	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)[C@H]1CCSC1	ZINC000328851177	553832847	/nfs/dbraw/zinc/83/28/47/553832847.db2.gz	ZLUBCXXSLGCNFR-INIZCTEOSA-N	1	1	363.483	2.184	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1COCC(=O)N1Cc1ccccc1	ZINC000328869699	553836077	/nfs/dbraw/zinc/83/60/77/553836077.db2.gz	PFMZHJYVNQDGLR-FUHWJXTLSA-N	1	1	359.470	2.245	20	30		FEEDMO
CN1C(=O)N[C@@H]2C[N@H+](CCC(=O)NCc3ccccc3Cl)CC[C@@H]21	ZINC000328941974	553849795	/nfs/dbraw/zinc/84/97/95/553849795.db2.gz	FLVYUQNMVQJVTB-CABCVRRESA-N	1	1	350.850	2.489	20	30		FEEDMO
C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000328954678	553852644	/nfs/dbraw/zinc/85/26/44/553852644.db2.gz	IOAYALHSYDSQRK-HLIPFELVSA-N	1	1	368.437	2.360	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C[C@H](C)O1	ZINC000328961117	553853597	/nfs/dbraw/zinc/85/35/97/553853597.db2.gz	PXCPSVUCHFOEBO-QKPAOTATSA-N	1	1	364.490	2.342	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C[C@H](C)O1	ZINC000328961117	553853600	/nfs/dbraw/zinc/85/36/00/553853600.db2.gz	PXCPSVUCHFOEBO-QKPAOTATSA-N	1	1	364.490	2.342	20	30		FEEDMO
CC(C)[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)N1CCCS1(=O)=O	ZINC000328983665	553858435	/nfs/dbraw/zinc/85/84/35/553858435.db2.gz	FTZUNWJQJWZOIM-WTXIUTQJSA-N	1	1	357.520	2.018	20	30		FEEDMO
CC1(C#N)CC[NH+](CC(=O)NCc2ccccc2CN2CCCC2=O)CC1	ZINC000506021966	561687712	/nfs/dbraw/zinc/68/77/12/561687712.db2.gz	JTCGSAMDOXXUEM-UHFFFAOYSA-N	1	1	368.481	2.051	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CCSC1	ZINC000329060939	553873449	/nfs/dbraw/zinc/87/34/49/553873449.db2.gz	NLVSDTNLYSPKKJ-SQWLQELKSA-N	1	1	351.520	2.154	20	30		FEEDMO
CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1	ZINC000329074288	553875702	/nfs/dbraw/zinc/87/57/02/553875702.db2.gz	BIZZLNFRYDDFMD-XHSDSOJGSA-N	1	1	365.522	2.103	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O	ZINC000329098803	553880153	/nfs/dbraw/zinc/88/01/53/553880153.db2.gz	YWUYPQCOKVDUDV-RMJJICAUSA-N	1	1	367.534	2.273	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000329168790	553893863	/nfs/dbraw/zinc/89/38/63/553893863.db2.gz	IXDGAZBFNOLHPY-AKHDSKFASA-N	1	1	365.518	2.433	20	30		FEEDMO
CC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1	ZINC000329173554	553895829	/nfs/dbraw/zinc/89/58/29/553895829.db2.gz	KXCVWMLQRFFJEX-LZLYRXPVSA-N	1	1	361.490	2.018	20	30		FEEDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O	ZINC000329196677	553900399	/nfs/dbraw/zinc/90/03/99/553900399.db2.gz	UWCZPRLBVMKPRY-WDEREUQCSA-N	1	1	358.398	2.136	20	30		FEEDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O	ZINC000329196677	553900401	/nfs/dbraw/zinc/90/04/01/553900401.db2.gz	UWCZPRLBVMKPRY-WDEREUQCSA-N	1	1	358.398	2.136	20	30		FEEDMO
O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1	ZINC000329215967	553904287	/nfs/dbraw/zinc/90/42/87/553904287.db2.gz	NQTSQJMPEYMNSV-KURKYZTESA-N	1	1	362.449	2.089	20	30		FEEDMO
CCC(CC)[C@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[NH+]1CCOCC1	ZINC000329250681	553911237	/nfs/dbraw/zinc/91/12/37/553911237.db2.gz	XTBBXCGNMIYFAJ-IXDOHACOSA-N	1	1	366.506	2.088	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CC[N@H+](C4CC4)C3)C2)c(F)c1	ZINC000329307648	553922870	/nfs/dbraw/zinc/92/28/70/553922870.db2.gz	PTOYSHXUCVRZAK-HOTGVXAUSA-N	1	1	371.460	2.406	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](c2nccn2C)C2CCOCC2)CC[N@H+]1C	ZINC000329317963	553924063	/nfs/dbraw/zinc/92/40/63/553924063.db2.gz	HYXVTOCMJNWEDD-DJIMGWMZSA-N	1	1	363.506	2.216	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@](O)(C(F)(F)F)CC2)C1	ZINC000329493694	553957204	/nfs/dbraw/zinc/95/72/04/553957204.db2.gz	WQCUGCCFNZNXEK-UKRRQHHQSA-N	1	1	351.413	2.412	20	30		FEEDMO
COCCn1cc2c(n1)[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)CCC2	ZINC000329510721	553960067	/nfs/dbraw/zinc/96/00/67/553960067.db2.gz	KFCPXORKRYTUMM-SJORKVTESA-N	1	1	363.506	2.093	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@H]2O)C1	ZINC000329518383	553961140	/nfs/dbraw/zinc/96/11/40/553961140.db2.gz	ZJVQAGXQZMHOMK-XMTFNYHQSA-N	1	1	367.534	2.273	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[C@@]12CCCO2	ZINC000329551543	553966283	/nfs/dbraw/zinc/96/62/83/553966283.db2.gz	FXCFBQZTXPGRSM-ILYVXUQDSA-N	1	1	351.491	2.043	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Cc2c(F)cccc2C#N)C[C@@H](C)O1	ZINC000506858377	561710328	/nfs/dbraw/zinc/71/03/28/561710328.db2.gz	BNEITKDCLDKQIE-BFYDXBDKSA-N	1	1	359.445	2.340	20	30		FEEDMO
CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCSCC2)C1	ZINC000329591225	553973250	/nfs/dbraw/zinc/97/32/50/553973250.db2.gz	ZVGNOCXBFYTILQ-OCCSQVGLSA-N	1	1	365.503	2.161	20	30		FEEDMO
CC(=O)N1CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[C@@H](C)C1	ZINC000329694995	553990792	/nfs/dbraw/zinc/99/07/92/553990792.db2.gz	CWWDJHSWCBOMLF-ZMSDIMECSA-N	1	1	350.507	2.106	20	30		FEEDMO
C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C	ZINC000329723504	553995438	/nfs/dbraw/zinc/99/54/38/553995438.db2.gz	BIHAZOIBAGPVQL-QBPKDAKJSA-N	1	1	366.506	2.231	20	30		FEEDMO
C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C	ZINC000329723504	553995440	/nfs/dbraw/zinc/99/54/40/553995440.db2.gz	BIHAZOIBAGPVQL-QBPKDAKJSA-N	1	1	366.506	2.231	20	30		FEEDMO
CC[C@@H]1CN(C(=O)CNC(=O)C2CCCCC2)C[C@@H]1[NH+]1CCOCC1	ZINC000329735371	553996949	/nfs/dbraw/zinc/99/69/49/553996949.db2.gz	KXSKSFGFVIJBGC-WBVHZDCISA-N	1	1	351.491	2.092	20	30		FEEDMO
CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](C(=O)N3CCCC3)C2)CC1	ZINC000329734922	553997150	/nfs/dbraw/zinc/99/71/50/553997150.db2.gz	RRYCDIBSNODLFW-KRWDZBQOSA-N	1	1	364.534	2.150	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NCC[C@@H]2CCO[C@H](C)C2)C[C@@H]1[NH+]1CCOCC1	ZINC000329760740	554001163	/nfs/dbraw/zinc/00/11/63/554001163.db2.gz	QOXYRYCGVOZAOJ-TVFCKZIOSA-N	1	1	353.507	2.148	20	30		FEEDMO
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1=O	ZINC000329769932	554002874	/nfs/dbraw/zinc/00/28/74/554002874.db2.gz	IGUXQNYHNKUIHZ-YRGVVPAESA-N	1	1	370.497	2.162	20	30		FEEDMO
N#Cc1cncc(S(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1	ZINC000329798862	554008000	/nfs/dbraw/zinc/00/80/00/554008000.db2.gz	XPXLVTXPUQWFDR-UHFFFAOYSA-N	1	1	362.499	2.230	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1	ZINC000329821370	554012267	/nfs/dbraw/zinc/01/22/67/554012267.db2.gz	PTLSEANZWLBNDU-SCTDSRPQSA-N	1	1	373.497	2.286	20	30		FEEDMO
CC(C)(O)C[NH+]1CCN(C(=O)Nc2csc(-c3ccccn3)n2)CC1	ZINC000329829430	554014518	/nfs/dbraw/zinc/01/45/18/554014518.db2.gz	JKYPHIJITFORPL-UHFFFAOYSA-N	1	1	361.471	2.139	20	30		FEEDMO
CCc1nc2n(n1)CCC[C@@H]2NC(=O)C1CC[NH+](Cc2nccn2C)CC1	ZINC000329836916	554015610	/nfs/dbraw/zinc/01/56/10/554015610.db2.gz	LWEYWLGKURYHTQ-HNNXBMFYSA-N	1	1	371.489	2.278	20	30		FEEDMO
COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc(OC)c1OCC(N)=O	ZINC000507233677	561722073	/nfs/dbraw/zinc/72/20/73/561722073.db2.gz	QQLPLOXBUHPMQY-UHFFFAOYSA-N	1	1	369.421	2.072	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1ccc2c(c1)OC(F)(F)O2)C[NH+]1CCOCC1	ZINC000329856256	554019544	/nfs/dbraw/zinc/01/95/44/554019544.db2.gz	UQLHWQAJLPIIJX-NSHDSACASA-N	1	1	357.357	2.302	20	30		FEEDMO
C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000329871156	554022370	/nfs/dbraw/zinc/02/23/70/554022370.db2.gz	AMBFWJCDHDTCJJ-KURKYZTESA-N	1	1	359.518	2.421	20	30		FEEDMO
C[C@@H](c1nccs1)N1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1	ZINC000329882209	554024121	/nfs/dbraw/zinc/02/41/21/554024121.db2.gz	POUMEGVBWYFKDV-YCPHGPKFSA-N	1	1	363.531	2.218	20	30		FEEDMO
CCN1C(=O)CC[C@H](C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)[C@@H]1c1cnn(C)c1	ZINC000329884551	554024732	/nfs/dbraw/zinc/02/47/32/554024732.db2.gz	SNZXBCQWAURDGP-KUZCPNRJSA-N	1	1	373.501	2.159	20	30		FEEDMO
CCN1C(=O)CC[C@H](C(=O)NCC[N@@H+]2CC=C(C)CC2)[C@H]1c1cnn(C)c1	ZINC000329897078	554027118	/nfs/dbraw/zinc/02/71/18/554027118.db2.gz	LDACABMEXQPISV-PKOBYXMFSA-N	1	1	373.501	2.328	20	30		FEEDMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1	ZINC000329914856	554030451	/nfs/dbraw/zinc/03/04/51/554030451.db2.gz	CSSYRWXZDKORFR-RCCFBDPRSA-N	1	1	364.534	2.355	20	30		FEEDMO
CC(=O)N[C@@H](C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)C1CCCC1	ZINC000329932520	554034358	/nfs/dbraw/zinc/03/43/58/554034358.db2.gz	BBFCBMDQHIUFQL-RDTXWAMCSA-N	1	1	351.491	2.233	20	30		FEEDMO
CC[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)O1	ZINC000329962000	554039583	/nfs/dbraw/zinc/03/95/83/554039583.db2.gz	SLRLUQSUNNNMPP-BYNSBNAKSA-N	1	1	365.453	2.374	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C)O[C@@]2(CCOC2)C1	ZINC000329964529	554040199	/nfs/dbraw/zinc/04/01/99/554040199.db2.gz	QQZRIYPTSNTNEX-SCTDSRPQSA-N	1	1	353.507	2.291	20	30		FEEDMO
C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H](C2CC2)O1	ZINC000329969975	554041157	/nfs/dbraw/zinc/04/11/57/554041157.db2.gz	XRPQEESWCFUABL-AEFFLSMTSA-N	1	1	365.518	2.435	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C12CCOCC2	ZINC000329993687	554045443	/nfs/dbraw/zinc/04/54/43/554045443.db2.gz	YPSHEXVTKUDHTC-LTIDMASMSA-N	1	1	351.491	2.091	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1	ZINC000330030340	554052111	/nfs/dbraw/zinc/05/21/11/554052111.db2.gz	RLOSVQCCVCRMEC-MRXNPFEDSA-N	1	1	374.533	2.440	20	30		FEEDMO
CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1	ZINC000330142153	554072736	/nfs/dbraw/zinc/07/27/36/554072736.db2.gz	JVIVWVQBQGTYEM-CABCVRRESA-N	1	1	357.520	2.022	20	30		FEEDMO
Cc1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1N1CCNC1=O	ZINC000330196842	554083263	/nfs/dbraw/zinc/08/32/63/554083263.db2.gz	QYVSROWOQSHVJV-PBHICJAKSA-N	1	1	357.458	2.301	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC2CCN(CC(=O)NC(=O)NC3CC3)CC2)C[C@H](C)O1	ZINC000330213154	554086385	/nfs/dbraw/zinc/08/63/85/554086385.db2.gz	FCWMZOYWQWBPTM-GASCZTMLSA-N	1	1	366.506	2.231	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(c3cccnn3)CC2)C[C@@H]1C	ZINC000330224239	554088054	/nfs/dbraw/zinc/08/80/54/554088054.db2.gz	AQHZEQYOCWXJLF-RDJZCZTQSA-N	1	1	360.506	2.164	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CCOC3(CCOCC3)C2)C1	ZINC000330258666	554094648	/nfs/dbraw/zinc/09/46/48/554094648.db2.gz	MRQZBPCDIYITNG-SJORKVTESA-N	1	1	353.507	2.196	20	30		FEEDMO
Cc1c([C@H]2OCC[C@@H]2C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cnn1C	ZINC000330282154	554098997	/nfs/dbraw/zinc/09/89/97/554098997.db2.gz	VEHRSXDYGHBMHC-RYRKJORJSA-N	1	1	364.490	2.119	20	30		FEEDMO
CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1	ZINC000330297890	554101710	/nfs/dbraw/zinc/10/17/10/554101710.db2.gz	LERREQJLVNAPLT-VDZJLULYSA-N	1	1	361.490	2.236	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1	ZINC000330413987	554118572	/nfs/dbraw/zinc/11/85/72/554118572.db2.gz	MRARQMZWSNYMHD-SJLPKXTDSA-N	1	1	364.515	2.109	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1F	ZINC000330545981	554136083	/nfs/dbraw/zinc/13/60/83/554136083.db2.gz	BXRZHEPGFQKFSO-NEPJUHHUSA-N	1	1	357.401	2.296	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1F	ZINC000330545981	554136086	/nfs/dbraw/zinc/13/60/86/554136086.db2.gz	BXRZHEPGFQKFSO-NEPJUHHUSA-N	1	1	357.401	2.296	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1F	ZINC000330545988	554136347	/nfs/dbraw/zinc/13/63/47/554136347.db2.gz	BXRZHEPGFQKFSO-VXGBXAGGSA-N	1	1	357.401	2.296	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1F	ZINC000330545988	554136349	/nfs/dbraw/zinc/13/63/49/554136349.db2.gz	BXRZHEPGFQKFSO-VXGBXAGGSA-N	1	1	357.401	2.296	20	30		FEEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000330558953	554137827	/nfs/dbraw/zinc/13/78/27/554137827.db2.gz	HBPQGCAEEAZUES-INIZCTEOSA-N	1	1	353.463	2.333	20	30		FEEDMO
CC(=O)c1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1Cl	ZINC000330585061	554141631	/nfs/dbraw/zinc/14/16/31/554141631.db2.gz	RVVSGJTZGDQDBX-NEPJUHHUSA-N	1	1	353.850	2.475	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1C(F)F	ZINC000330707390	554161125	/nfs/dbraw/zinc/16/11/25/554161125.db2.gz	PUNFPUAFHLZROX-CHWSQXEVSA-N	1	1	373.448	2.409	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1C(F)F	ZINC000330707390	554161129	/nfs/dbraw/zinc/16/11/29/554161129.db2.gz	PUNFPUAFHLZROX-CHWSQXEVSA-N	1	1	373.448	2.409	20	30		FEEDMO
CC(C)[C@H](C)NC(=O)C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1	ZINC000330758445	554167932	/nfs/dbraw/zinc/16/79/32/554167932.db2.gz	LOIKOPRWQDPKOZ-INIZCTEOSA-N	1	1	362.518	2.202	20	30		FEEDMO
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NCC[N@H+]1CCCC(C)(C)C1	ZINC000330952440	554193098	/nfs/dbraw/zinc/19/30/98/554193098.db2.gz	FISRIOIXESNAOA-UHFFFAOYSA-N	1	1	371.503	2.265	20	30		FEEDMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)c2scnc2C(C)(C)C)CC1	ZINC000330991945	554198608	/nfs/dbraw/zinc/19/86/08/554198608.db2.gz	AYYGQNXNOPNXCO-UHFFFAOYSA-N	1	1	352.504	2.298	20	30		FEEDMO
CSc1cccc(C)c1NC(=O)N1CC[NH+](CCC(=O)N(C)C)CC1	ZINC000331019729	554201912	/nfs/dbraw/zinc/20/19/12/554201912.db2.gz	JGHBVAFXDQPBHL-UHFFFAOYSA-N	1	1	364.515	2.358	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1cc(F)c(OC(F)F)cc1F	ZINC000331151813	554222617	/nfs/dbraw/zinc/22/26/17/554222617.db2.gz	IJVTVVCOUACKFL-SECBINFHSA-N	1	1	364.343	2.138	20	30		FEEDMO
COC[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1ccc(F)cc1	ZINC000331223543	554233134	/nfs/dbraw/zinc/23/31/34/554233134.db2.gz	LTALWSYGJUFZTA-PBHICJAKSA-N	1	1	367.465	2.204	20	30		FEEDMO
C=CCn1c(-c2ccc[nH]2)nnc1N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1	ZINC000508747064	561771471	/nfs/dbraw/zinc/77/14/71/561771471.db2.gz	MYNWWYJUJKFIIP-HNNXBMFYSA-N	1	1	356.474	2.149	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCc1cccc(F)c1F	ZINC000331238888	554234901	/nfs/dbraw/zinc/23/49/01/554234901.db2.gz	VZPLNEPHLDPOPX-CYBMUJFWSA-N	1	1	355.429	2.198	20	30		FEEDMO
CC(=O)NC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C1	ZINC000331272739	554239427	/nfs/dbraw/zinc/23/94/27/554239427.db2.gz	AOJMNPDKDOVINF-ROUUACIJSA-N	1	1	352.523	2.259	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2S(C)(=O)=O)C[C@H]1C	ZINC000331274621	554240100	/nfs/dbraw/zinc/24/01/00/554240100.db2.gz	HXJJUJXNLPWFJP-KGLIPLIRSA-N	1	1	353.488	2.440	20	30		FEEDMO
COc1cc(OC)c(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1F	ZINC000331287337	554241588	/nfs/dbraw/zinc/24/15/88/554241588.db2.gz	HVEUYIRGXVBBGS-GFCCVEGCSA-N	1	1	369.437	2.165	20	30		FEEDMO
Cc1cc(S(N)(=O)=O)cc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1C	ZINC000331300952	554243844	/nfs/dbraw/zinc/24/38/44/554243844.db2.gz	RDTVWDYGXFEAJT-UHFFFAOYSA-N	1	1	367.515	2.377	20	30		FEEDMO
C=CCn1c(CCC2CCCCC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1	ZINC000508947403	561779174	/nfs/dbraw/zinc/77/91/74/561779174.db2.gz	XGENEAABZZKEOO-SFHVURJKSA-N	1	1	359.518	2.498	20	30		FEEDMO
C=CCn1c(CCC2CCCCC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1	ZINC000508947403	561779176	/nfs/dbraw/zinc/77/91/76/561779176.db2.gz	XGENEAABZZKEOO-SFHVURJKSA-N	1	1	359.518	2.498	20	30		FEEDMO
CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)N1CCO[C@@H](C#N)C1	ZINC000331979106	554356457	/nfs/dbraw/zinc/35/64/57/554356457.db2.gz	FBWJRKWBXWEQRK-RBUKOAKNSA-N	1	1	370.497	2.393	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)c1C#N	ZINC000509465751	561800640	/nfs/dbraw/zinc/80/06/40/561800640.db2.gz	TXMQIKOETAKTOV-FZKQIMNGSA-N	1	1	352.438	2.217	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1C#N	ZINC000509465751	561800641	/nfs/dbraw/zinc/80/06/41/561800641.db2.gz	TXMQIKOETAKTOV-FZKQIMNGSA-N	1	1	352.438	2.217	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1	ZINC000332463903	554450857	/nfs/dbraw/zinc/45/08/57/554450857.db2.gz	KAXRRFYBMDKGEY-CQSZACIVSA-N	1	1	358.442	2.284	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@@H](CC(F)(F)F)C3)C2=O)cc1	ZINC000555829801	674378021	/nfs/dbraw/zinc/37/80/21/674378021.db2.gz	GZQKRNAWFWFCSO-JSGCOSHPSA-N	1	1	351.328	2.464	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@@H](CC(F)(F)F)C3)C2=O)cc1	ZINC000555829801	674378022	/nfs/dbraw/zinc/37/80/22/674378022.db2.gz	GZQKRNAWFWFCSO-JSGCOSHPSA-N	1	1	351.328	2.464	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)CC[C@@H]21	ZINC000332521455	554461575	/nfs/dbraw/zinc/46/15/75/554461575.db2.gz	ZHIQCFYRVCGSCF-BBRMVZONSA-N	1	1	360.845	2.093	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000333044650	554563568	/nfs/dbraw/zinc/56/35/68/554563568.db2.gz	PGANEGISNDOYKB-DOTOQJQBSA-N	1	1	358.511	2.389	20	30		FEEDMO
C[N@@H+](CCOc1cccc(CNc2ccc(C#N)nn2)c1)C1CCOCC1	ZINC000611240544	554618874	/nfs/dbraw/zinc/61/88/74/554618874.db2.gz	MNSUDSTZULIYKZ-UHFFFAOYSA-N	1	1	367.453	2.450	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](N2CCCC2=O)CC1	ZINC000334017557	554668544	/nfs/dbraw/zinc/66/85/44/554668544.db2.gz	BTYZOEJUPOUKTC-IRXDYDNUSA-N	1	1	360.502	2.194	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000334085564	554676289	/nfs/dbraw/zinc/67/62/89/554676289.db2.gz	LVRVYXCCMGZLTK-ILOCAZANSA-N	1	1	351.491	2.003	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000334085564	554676291	/nfs/dbraw/zinc/67/62/91/554676291.db2.gz	LVRVYXCCMGZLTK-ILOCAZANSA-N	1	1	351.491	2.003	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1=O	ZINC000348456899	554685701	/nfs/dbraw/zinc/68/57/01/554685701.db2.gz	CFGGMYVOGDIYMQ-QZTJIDSGSA-N	1	1	357.454	2.164	20	30		FEEDMO
C#CC[C@@H](NC(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1)c1ccccc1	ZINC000362729351	554984832	/nfs/dbraw/zinc/98/48/32/554984832.db2.gz	XXMJWLMYTOGUIG-TZIWHRDSSA-N	1	1	368.525	2.420	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000362971805	555004330	/nfs/dbraw/zinc/00/43/30/555004330.db2.gz	YXUDMVFURRREMY-MOPGFXCFSA-N	1	1	356.470	2.343	20	30		FEEDMO
C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1	ZINC000362997245	555006456	/nfs/dbraw/zinc/00/64/56/555006456.db2.gz	JZTWSABDKQWGCE-MRXNPFEDSA-N	1	1	374.448	2.448	20	30		FEEDMO
N#Cc1ccc(NC(=O)CCN2CCC[N@H+](C3CCOCC3)CC2)cc1	ZINC000363183543	555048077	/nfs/dbraw/zinc/04/80/77/555048077.db2.gz	ZCWZMMNNPBWVQH-UHFFFAOYSA-N	1	1	356.470	2.074	20	30		FEEDMO
Cn1cc(C[C@@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)cn1	ZINC000363307942	555075499	/nfs/dbraw/zinc/07/54/99/555075499.db2.gz	XKGZRIAWSLJRNX-ZDUSSCGKSA-N	1	1	357.845	2.448	20	30		FEEDMO
Cn1cc(C[C@@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)cn1	ZINC000363307942	555075502	/nfs/dbraw/zinc/07/55/02/555075502.db2.gz	XKGZRIAWSLJRNX-ZDUSSCGKSA-N	1	1	357.845	2.448	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1	ZINC000363457118	555110569	/nfs/dbraw/zinc/11/05/69/555110569.db2.gz	INUGJBVCCUPUGB-SJORKVTESA-N	1	1	357.454	2.323	20	30		FEEDMO
C[C@H]1C[C@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@H+]1C	ZINC000363716433	555170568	/nfs/dbraw/zinc/17/05/68/555170568.db2.gz	RPILFCVJTAAFNF-DZGCQCFKSA-N	1	1	370.432	2.829	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000363870998	555203134	/nfs/dbraw/zinc/20/31/34/555203134.db2.gz	YYOGLUWFZBVQIR-QZTJIDSGSA-N	1	1	352.523	2.196	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)cc1OC	ZINC000363904689	555210494	/nfs/dbraw/zinc/21/04/94/555210494.db2.gz	AIWCFYSLZWNRMX-HNNXBMFYSA-N	1	1	372.425	2.085	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1	ZINC000512311136	561899800	/nfs/dbraw/zinc/89/98/00/561899800.db2.gz	WGVNRJGBKZOXQE-UHFFFAOYSA-N	1	1	372.488	2.263	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccccc1OCC#N	ZINC000364567249	555340526	/nfs/dbraw/zinc/34/05/26/555340526.db2.gz	ZDODKZJDXZUHIH-NUJGCVRESA-N	1	1	357.454	2.208	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000364570475	555341496	/nfs/dbraw/zinc/34/14/96/555341496.db2.gz	PVRVOFSBHRGPFA-HKUYNNGSSA-N	1	1	370.478	2.267	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1	ZINC000364587577	555346199	/nfs/dbraw/zinc/34/61/99/555346199.db2.gz	DMGHLOLVHMUQOJ-UHFFFAOYSA-N	1	1	368.412	2.252	20	30		FEEDMO
C=CCN(C(=O)c1cncc(OC)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000365094182	555483940	/nfs/dbraw/zinc/48/39/40/555483940.db2.gz	NCPVUYGOJDVVRQ-QGZVFWFLSA-N	1	1	352.438	2.388	20	30		FEEDMO
CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000531614929	562451640	/nfs/dbraw/zinc/45/16/40/562451640.db2.gz	KPMLYSFWZAIQJC-MRXNPFEDSA-N	1	1	362.474	2.086	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1	ZINC000365222025	555514757	/nfs/dbraw/zinc/51/47/57/555514757.db2.gz	JQICTYHTJAYSKC-HOTGVXAUSA-N	1	1	364.490	2.080	20	30		FEEDMO
CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000531614929	562451641	/nfs/dbraw/zinc/45/16/41/562451641.db2.gz	KPMLYSFWZAIQJC-MRXNPFEDSA-N	1	1	362.474	2.086	20	30		FEEDMO
CC(C)(CCC#N)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000513112934	561925883	/nfs/dbraw/zinc/92/58/83/561925883.db2.gz	HMNCFNBFBVRWLY-RBUKOAKNSA-N	1	1	372.513	2.499	20	30		FEEDMO
C[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)CC(C)(C)C#N)CC1	ZINC000365485948	555588367	/nfs/dbraw/zinc/58/83/67/555588367.db2.gz	BWPKMYDHDMJNNW-SFHVURJKSA-N	1	1	368.481	2.048	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)ccc1Cl	ZINC000365543267	555604560	/nfs/dbraw/zinc/60/45/60/555604560.db2.gz	BNMNGHXMYPZUSO-YSVLISHTSA-N	1	1	372.856	2.093	20	30		FEEDMO
CCOC(=O)CCCCC[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O	ZINC000513659953	561946213	/nfs/dbraw/zinc/94/62/13/561946213.db2.gz	IKYYROWTLMWCIR-MGPUTAFESA-N	1	1	355.438	2.455	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)C(C)C)C1	ZINC000513821411	561951436	/nfs/dbraw/zinc/95/14/36/561951436.db2.gz	IKWGGLVCENYCOL-OALUTQOASA-N	1	1	360.498	2.391	20	30		FEEDMO
N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1	ZINC000366206866	555782185	/nfs/dbraw/zinc/78/21/85/555782185.db2.gz	ZIKCVVQQFXTQOO-FNAHDJPLSA-N	1	1	370.456	2.487	20	30		FEEDMO
CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000366438662	555843914	/nfs/dbraw/zinc/84/39/14/555843914.db2.gz	LXBBIRTVTNYWDX-MRXNPFEDSA-N	1	1	363.483	2.176	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000366535559	555870731	/nfs/dbraw/zinc/87/07/31/555870731.db2.gz	RYSUGGNOFAEFRN-MRXNPFEDSA-N	1	1	361.511	2.310	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000366536160	555870867	/nfs/dbraw/zinc/87/08/67/555870867.db2.gz	QSXTZHGNEJVCEG-HOTGVXAUSA-N	1	1	364.490	2.080	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H]2CCN(c3ccccc3OC(F)F)C2=O)CC1	ZINC000367694739	556116894	/nfs/dbraw/zinc/11/68/94/556116894.db2.gz	UUJHTZHZIJIYII-MRXNPFEDSA-N	1	1	363.408	2.034	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C	ZINC000367788134	556139502	/nfs/dbraw/zinc/13/95/02/556139502.db2.gz	WCPUZLMAVPQACT-MGNMYUMUSA-N	1	1	350.507	2.114	20	30		FEEDMO
COC(=O)c1cc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)cn1C	ZINC000368015301	556195045	/nfs/dbraw/zinc/19/50/45/556195045.db2.gz	IIDJSCFCICSHDA-UHFFFAOYSA-N	1	1	352.438	2.396	20	30		FEEDMO
Cc1ccc2ncc(C#N)c(N3CC[NH+]([C@@H]4CCCCNC4=O)CC3)c2c1	ZINC000368063015	556208568	/nfs/dbraw/zinc/20/85/68/556208568.db2.gz	LMRNGQASUQSNSK-LJQANCHMSA-N	1	1	363.465	2.206	20	30		FEEDMO
N#CCN1CCC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1	ZINC000515030031	561992689	/nfs/dbraw/zinc/99/26/89/561992689.db2.gz	UHHTYTAHTMHKFG-CYBMUJFWSA-N	1	1	374.395	2.170	20	30		FEEDMO
N#Cc1cc(NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc(N)c1[N+](=O)[O-]	ZINC000368547144	556341794	/nfs/dbraw/zinc/34/17/94/556341794.db2.gz	ZYXZAMLETIILLY-DLBZAZTESA-N	1	1	367.409	2.096	20	30		FEEDMO
CN(C)c1noc([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)n1	ZINC000515352832	562006802	/nfs/dbraw/zinc/00/68/02/562006802.db2.gz	QUQKQPICOYRPQU-AWEZNQCLSA-N	1	1	356.386	2.295	20	30		FEEDMO
CN(C)c1noc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)n1	ZINC000515352832	562006803	/nfs/dbraw/zinc/00/68/03/562006803.db2.gz	QUQKQPICOYRPQU-AWEZNQCLSA-N	1	1	356.386	2.295	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCN(C)[C@@H](C#N)C2)cc1F	ZINC000368699741	556390178	/nfs/dbraw/zinc/39/01/78/556390178.db2.gz	IHBNCNGZDIYGKD-CJNGLKHVSA-N	1	1	370.432	2.230	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](Cc2ccc(F)c(F)c2)C1	ZINC000368822728	556423095	/nfs/dbraw/zinc/42/30/95/556423095.db2.gz	GAOFPRRMTBYYKG-INIZCTEOSA-N	1	1	360.408	2.485	20	30		FEEDMO
C=CCN(C(=O)Cn1ccccc1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000369080504	556499516	/nfs/dbraw/zinc/49/95/16/556499516.db2.gz	FZOFEPWGZMIOPB-LJQANCHMSA-N	1	1	351.450	2.137	20	30		FEEDMO
N#Cc1ccc(OCC(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1	ZINC000369165018	556523078	/nfs/dbraw/zinc/52/30/78/556523078.db2.gz	RQMCNWMDECHBSH-LJQANCHMSA-N	1	1	364.449	2.360	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)n1	ZINC000369255770	556552187	/nfs/dbraw/zinc/55/21/87/556552187.db2.gz	WVZFFKGXSVPLNH-SFHVURJKSA-N	1	1	372.517	2.434	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)n1	ZINC000369255770	556552190	/nfs/dbraw/zinc/55/21/90/556552190.db2.gz	WVZFFKGXSVPLNH-SFHVURJKSA-N	1	1	372.517	2.434	20	30		FEEDMO
C=CCN(C(=O)c1cccn(C)c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000369308572	556570749	/nfs/dbraw/zinc/57/07/49/556570749.db2.gz	ULJZKHYWTUCXGL-SFHVURJKSA-N	1	1	351.450	2.288	20	30		FEEDMO
CC(C)N(C)c1cnn([C@@H]2CCC[N@H+](Cc3cc(C#N)n(C)c3)C2)c(=O)c1	ZINC000369520824	556619063	/nfs/dbraw/zinc/61/90/63/556619063.db2.gz	RPBXQPMNVNQAKW-QGZVFWFLSA-N	1	1	368.485	2.135	20	30		FEEDMO
CC(C)N(C)c1cnn([C@@H]2CCC[N@@H+](Cc3cc(C#N)n(C)c3)C2)c(=O)c1	ZINC000369520824	556619064	/nfs/dbraw/zinc/61/90/64/556619064.db2.gz	RPBXQPMNVNQAKW-QGZVFWFLSA-N	1	1	368.485	2.135	20	30		FEEDMO
N#CCCN(C(=O)C[NH+]1CCC(CN2CCCC2=O)CC1)c1ccccc1	ZINC000369809467	556701049	/nfs/dbraw/zinc/70/10/49/556701049.db2.gz	CLDNZLFMYDEARE-UHFFFAOYSA-N	1	1	368.481	2.268	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)NCC2CCC(C#N)CC2)CC1	ZINC000370151839	556795554	/nfs/dbraw/zinc/79/55/54/556795554.db2.gz	REGOBKFRLFDKKN-CTWPCTMYSA-N	1	1	361.534	2.128	20	30		FEEDMO
N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3[C@H]4CCCC[N@@H+]4C[C@H]3C2)c1	ZINC000370440286	556873669	/nfs/dbraw/zinc/87/36/69/556873669.db2.gz	WVDVRRNAKLHDSX-OFQRWUPVSA-N	1	1	365.886	2.316	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1	ZINC000370440349	556873903	/nfs/dbraw/zinc/87/39/03/556873903.db2.gz	ITSQQUVFBURIGJ-ROUUACIJSA-N	1	1	353.422	2.356	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1	ZINC000370440349	556873906	/nfs/dbraw/zinc/87/39/06/556873906.db2.gz	ITSQQUVFBURIGJ-ROUUACIJSA-N	1	1	353.422	2.356	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C1	ZINC000370796861	556971579	/nfs/dbraw/zinc/97/15/79/556971579.db2.gz	WXVKUOAVNSOTHK-YRNRMSPPSA-N	1	1	362.518	2.010	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C1	ZINC000370796861	556971581	/nfs/dbraw/zinc/97/15/81/556971581.db2.gz	WXVKUOAVNSOTHK-YRNRMSPPSA-N	1	1	362.518	2.010	20	30		FEEDMO
NC(=O)C1([NH+]2CCN(CC#Cc3cccc(Cl)c3)CC2)CCCCC1	ZINC000370865045	556994989	/nfs/dbraw/zinc/99/49/89/556994989.db2.gz	MAPKPANOKIZKRM-UHFFFAOYSA-N	1	1	359.901	2.497	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H](C3CC3)C2)CC1	ZINC000371474074	557192348	/nfs/dbraw/zinc/19/23/48/557192348.db2.gz	VSZWSIJBMPRSQP-IAGOWNOFSA-N	1	1	358.511	2.189	20	30		FEEDMO
C[C@@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1ccc(C#N)nc1	ZINC000371494554	557199831	/nfs/dbraw/zinc/19/98/31/557199831.db2.gz	ZDNPXFCHVJVZCF-JXFKEZNVSA-N	1	1	364.449	2.315	20	30		FEEDMO
C[C@@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1ccc(C#N)nc1	ZINC000371494554	557199833	/nfs/dbraw/zinc/19/98/33/557199833.db2.gz	ZDNPXFCHVJVZCF-JXFKEZNVSA-N	1	1	364.449	2.315	20	30		FEEDMO
N#Cc1c(C[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)cn2ccccc12	ZINC000371557956	557222124	/nfs/dbraw/zinc/22/21/24/557222124.db2.gz	LEIUICNUVNBVDH-UHFFFAOYSA-N	1	1	374.448	2.017	20	30		FEEDMO
N#Cc1c(C[N@@H+]2CCCN(c3ncccc3C(N)=O)CC2)cn2ccccc12	ZINC000371557956	557222126	/nfs/dbraw/zinc/22/21/26/557222126.db2.gz	LEIUICNUVNBVDH-UHFFFAOYSA-N	1	1	374.448	2.017	20	30		FEEDMO
CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1	ZINC000517958014	562101641	/nfs/dbraw/zinc/10/16/41/562101641.db2.gz	YPANVISLHYQSAT-KRWDZBQOSA-N	1	1	365.437	2.345	20	30		FEEDMO
Cc1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)nn1-c1cccc(C#N)c1	ZINC000372373118	557453369	/nfs/dbraw/zinc/45/33/69/557453369.db2.gz	BLXBOIHOKCYKAW-CRAIPNDOSA-N	1	1	364.453	2.753	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H]4CCCCCC[C@@H]43)CC2)o1	ZINC000372585781	557513266	/nfs/dbraw/zinc/51/32/66/557513266.db2.gz	JVGFXTKFGRXRBD-AEFFLSMTSA-N	1	1	371.485	2.158	20	30		FEEDMO
CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(C)c1C#N	ZINC000372631722	557525973	/nfs/dbraw/zinc/52/59/73/557525973.db2.gz	ZRTFVCXQPXRNEJ-OAHLLOKOSA-N	1	1	365.437	2.255	20	30		FEEDMO
CO[C@H](C)c1nc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)cs1	ZINC000519595036	562136238	/nfs/dbraw/zinc/13/62/38/562136238.db2.gz	GCTQKOQQDGGZRU-CJNGLKHVSA-N	1	1	361.467	2.446	20	30		FEEDMO
N#Cc1c(F)ccc(CN2CC[NH+]([C@@H]3CCCCNC3=O)CC2)c1Cl	ZINC000372962064	557597964	/nfs/dbraw/zinc/59/79/64/557597964.db2.gz	AIDZNHOQXOJHIM-MRXNPFEDSA-N	1	1	364.852	2.137	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1	ZINC000373675021	557736645	/nfs/dbraw/zinc/73/66/45/557736645.db2.gz	RAGYQIPUFDKXFJ-KDOFPFPSSA-N	1	1	363.483	2.226	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@]2(CNC(=O)O2)C1	ZINC000373675021	557736647	/nfs/dbraw/zinc/73/66/47/557736647.db2.gz	RAGYQIPUFDKXFJ-KDOFPFPSSA-N	1	1	363.483	2.226	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(O)(Cc2ccccc2OC)CC1	ZINC000373976419	557799404	/nfs/dbraw/zinc/79/94/04/557799404.db2.gz	YKFXZILBOYLIDX-QGZVFWFLSA-N	1	1	373.497	2.073	20	30		FEEDMO
CC[C@@H]1CN(C(=O)/C=C/c2ccc(OCC#N)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000374162458	557834501	/nfs/dbraw/zinc/83/45/01/557834501.db2.gz	RVDPQKWUZCXEDS-GYAHQXATSA-N	1	1	369.465	2.171	20	30		FEEDMO
C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2C#N)(N2CCCCC2)CC1	ZINC000374168446	557835608	/nfs/dbraw/zinc/83/56/08/557835608.db2.gz	XBDPPHVRKVSFQJ-UHFFFAOYSA-N	1	1	358.446	2.224	20	30		FEEDMO
COc1cc(C[N@@H+]2CCCN(C(=O)c3ccccn3)CC2)ccc1C#N	ZINC000374203945	557843038	/nfs/dbraw/zinc/84/30/38/557843038.db2.gz	HKVBJVLDBKLIRJ-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
COc1cc(C[N@H+]2CCCN(C(=O)c3ccccn3)CC2)ccc1C#N	ZINC000374203945	557843039	/nfs/dbraw/zinc/84/30/39/557843039.db2.gz	HKVBJVLDBKLIRJ-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)cc1	ZINC000374556341	557899258	/nfs/dbraw/zinc/89/92/58/557899258.db2.gz	LDCLIWWLSGZIJE-JOCHJYFZSA-N	1	1	363.461	2.201	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)cc1	ZINC000374556341	557899260	/nfs/dbraw/zinc/89/92/60/557899260.db2.gz	LDCLIWWLSGZIJE-JOCHJYFZSA-N	1	1	363.461	2.201	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1	ZINC000374622699	557908413	/nfs/dbraw/zinc/90/84/13/557908413.db2.gz	LSPBHMQWOKAUEM-IBGZPJMESA-N	1	1	353.397	2.467	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1	ZINC000374622699	557908414	/nfs/dbraw/zinc/90/84/14/557908414.db2.gz	LSPBHMQWOKAUEM-IBGZPJMESA-N	1	1	353.397	2.467	20	30		FEEDMO
Cn1cc([C@H]2[C@@H](CNC(=O)N3CCC(C)(C#N)CC3)CCC[N@H+]2C)cn1	ZINC000374804762	557934274	/nfs/dbraw/zinc/93/42/74/557934274.db2.gz	DHARSUIESADFAI-NVXWUHKLSA-N	1	1	358.490	2.138	20	30		FEEDMO
Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1(C#N)CCCCC1	ZINC000374828483	557937210	/nfs/dbraw/zinc/93/72/10/557937210.db2.gz	KXFMACNYUHVMBI-ALOPSCKCSA-N	1	1	355.486	2.473	20	30		FEEDMO
N#CC1(c2ccccn2)CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1	ZINC000375580432	558052328	/nfs/dbraw/zinc/05/23/28/558052328.db2.gz	CXAZMOPKDPTIEL-INIZCTEOSA-N	1	1	353.470	2.133	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)C1=O	ZINC000375610460	558056795	/nfs/dbraw/zinc/05/67/95/558056795.db2.gz	GHWOHGIJERRIAP-NXOAAHMSSA-N	1	1	363.502	2.399	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2CC(=O)NC2(C#N)CCC2)CC1	ZINC000375698309	558069414	/nfs/dbraw/zinc/06/94/14/558069414.db2.gz	QHLJHMMGIVRUGI-UHFFFAOYSA-N	1	1	362.474	2.024	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2CC(=O)NC2(C#N)CCC2)CC1	ZINC000375698309	558069416	/nfs/dbraw/zinc/06/94/16/558069416.db2.gz	QHLJHMMGIVRUGI-UHFFFAOYSA-N	1	1	362.474	2.024	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2nc(-c3ccccc3OC)no2)CC1	ZINC000375934080	558102031	/nfs/dbraw/zinc/10/20/31/558102031.db2.gz	UQYSVPLSVKDLRW-CQSZACIVSA-N	1	1	368.437	2.063	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1	ZINC000375971486	558107444	/nfs/dbraw/zinc/10/74/44/558107444.db2.gz	ADZDWVOMYWDNMQ-YYFZDKIDSA-N	1	1	367.453	2.176	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1cc(N)c([N+](=O)[O-])c(C#N)c1	ZINC000376175334	558137047	/nfs/dbraw/zinc/13/70/47/558137047.db2.gz	VYONAFTYOKXECS-ISTRZQFTSA-N	1	1	359.430	2.350	20	30		FEEDMO
N#CCCCOc1cccnc1NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1	ZINC000376407715	558169544	/nfs/dbraw/zinc/16/95/44/558169544.db2.gz	IVRXLZMONRRSCH-CVEARBPZSA-N	1	1	373.457	2.139	20	30		FEEDMO
N#CCCCOc1cccnc1NC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1	ZINC000376407715	558169545	/nfs/dbraw/zinc/16/95/45/558169545.db2.gz	IVRXLZMONRRSCH-CVEARBPZSA-N	1	1	373.457	2.139	20	30		FEEDMO
C#CCC(CC#C)C(=O)N(C)[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000376982285	558247818	/nfs/dbraw/zinc/24/78/18/558247818.db2.gz	ZJVGEVKSMXOCKG-RXVVDRJESA-N	1	1	352.478	2.397	20	30		FEEDMO
C#CCC(CC#C)C(=O)N(C)[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000376982285	558247819	/nfs/dbraw/zinc/24/78/19/558247819.db2.gz	ZJVGEVKSMXOCKG-RXVVDRJESA-N	1	1	352.478	2.397	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000377211338	558289658	/nfs/dbraw/zinc/28/96/58/558289658.db2.gz	CSRXJRUBEBMTBU-NJDAHSKKSA-N	1	1	369.509	2.252	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CC(N)=O)C1	ZINC000377555949	558364131	/nfs/dbraw/zinc/36/41/31/558364131.db2.gz	XNWVGFCDWXTZCC-KGLIPLIRSA-N	1	1	360.483	2.074	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CC(N)=O)C1	ZINC000377555949	558364134	/nfs/dbraw/zinc/36/41/34/558364134.db2.gz	XNWVGFCDWXTZCC-KGLIPLIRSA-N	1	1	360.483	2.074	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1	ZINC000377669786	558391984	/nfs/dbraw/zinc/39/19/84/558391984.db2.gz	ORUWWVZJSLJSDE-SLFFLAALSA-N	1	1	367.497	2.033	20	30		FEEDMO
CC(C)(C#N)CCS(=O)(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1	ZINC000377835726	558432119	/nfs/dbraw/zinc/43/21/19/558432119.db2.gz	WAZZWDSDTXZAAW-MSOLQXFVSA-N	1	1	361.511	2.462	20	30		FEEDMO
N#Cc1ccc(Cn2cnc(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)n2)cc1	ZINC000378008445	558462111	/nfs/dbraw/zinc/46/21/11/558462111.db2.gz	IPQCBDXQCYCRLK-SJORKVTESA-N	1	1	350.426	2.011	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@@H](Nc3nccc(C#N)c3[N+](=O)[O-])[C@@H](C)C2)s1	ZINC000378130987	558487833	/nfs/dbraw/zinc/48/78/33/558487833.db2.gz	DKTPHEVECQTPLZ-XHDPSFHLSA-N	1	1	372.454	2.949	20	30		FEEDMO
C=CCN(C(=O)[C@H](O)c1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000378318449	558528708	/nfs/dbraw/zinc/52/87/08/558528708.db2.gz	UVRUCSWRMWCVEJ-VQTJNVASSA-N	1	1	351.450	2.404	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000523496959	562214285	/nfs/dbraw/zinc/21/42/85/562214285.db2.gz	LNFOWGJIXIZEHN-RHSMWYFYSA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000523496959	562214286	/nfs/dbraw/zinc/21/42/86/562214286.db2.gz	LNFOWGJIXIZEHN-RHSMWYFYSA-N	1	1	356.451	2.067	20	30		FEEDMO
CN1CCN(c2cc(C[NH2+][C@@H]3CCC[C@@H]4O[C@H](CC#N)C[C@H]43)ccn2)CC1	ZINC000378466226	558564102	/nfs/dbraw/zinc/56/41/02/558564102.db2.gz	ZQUWVVFZAGUKQB-WCIQWLHISA-N	1	1	369.513	2.163	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c(OC)c1	ZINC000523582872	562215710	/nfs/dbraw/zinc/21/57/10/562215710.db2.gz	KDHVVCFKXAULAG-RTBURBONSA-N	1	1	360.498	2.332	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CCN(C3CC3)C2)c(OC)c1	ZINC000523582872	562215711	/nfs/dbraw/zinc/21/57/11/562215711.db2.gz	KDHVVCFKXAULAG-RTBURBONSA-N	1	1	360.498	2.332	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)c(OC)c1	ZINC000523582872	562215712	/nfs/dbraw/zinc/21/57/12/562215712.db2.gz	KDHVVCFKXAULAG-RTBURBONSA-N	1	1	360.498	2.332	20	30		FEEDMO
N#Cc1ccc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)nc1	ZINC000404208934	558631515	/nfs/dbraw/zinc/63/15/15/558631515.db2.gz	VPDLAJRAQJWTBN-UXHICEINSA-N	1	1	362.433	2.069	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000405947619	558633012	/nfs/dbraw/zinc/63/30/12/558633012.db2.gz	CZNJTLXKXASBHR-IBGZPJMESA-N	1	1	370.478	2.205	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1C#N	ZINC000408359124	558670466	/nfs/dbraw/zinc/67/04/66/558670466.db2.gz	SDFHXAUAVGJFSA-UHFFFAOYSA-N	1	1	362.499	2.148	20	30		FEEDMO
Cc1cc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c(C#N)cc1N(C)C	ZINC000408468993	558680848	/nfs/dbraw/zinc/68/08/48/558680848.db2.gz	OPGWCAZWXSRMHD-HNAYVOBHSA-N	1	1	371.485	2.117	20	30		FEEDMO
C[C@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)n1cnc(C#N)n1	ZINC000409458575	558694324	/nfs/dbraw/zinc/69/43/24/558694324.db2.gz	IASSKIMLSIFNES-JKSUJKDBSA-N	1	1	366.469	2.259	20	30		FEEDMO
C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)n1cnc(C#N)n1	ZINC000409463032	558694719	/nfs/dbraw/zinc/69/47/19/558694719.db2.gz	ISLVLHPURPEOCA-HZPDHXFCSA-N	1	1	366.469	2.259	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000409498090	558697604	/nfs/dbraw/zinc/69/76/04/558697604.db2.gz	GMPXAXBIAFZIFH-SFHVURJKSA-N	1	1	364.515	2.063	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC	ZINC000409573967	558704057	/nfs/dbraw/zinc/70/40/57/558704057.db2.gz	CNLRCGVOOCQRJN-HNNXBMFYSA-N	1	1	358.533	2.201	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2	ZINC000410071664	558737478	/nfs/dbraw/zinc/73/74/78/558737478.db2.gz	IDVXSJPQTXARRR-MRXNPFEDSA-N	1	1	355.482	2.461	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000410131578	558740553	/nfs/dbraw/zinc/74/05/53/558740553.db2.gz	SDPIQAQYLNRORX-GOEBONIOSA-N	1	1	370.544	2.201	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H](O)C(F)(F)F	ZINC000411435754	558894831	/nfs/dbraw/zinc/89/48/31/558894831.db2.gz	DUBURUYVRJFLEE-LBPRGKRZSA-N	1	1	361.389	2.292	20	30		FEEDMO
CC(C)OC[C@H](CO)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000411635446	558933242	/nfs/dbraw/zinc/93/32/42/558933242.db2.gz	NFVYMOLGEQIBFL-ZDUSSCGKSA-N	1	1	365.499	2.155	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)N(C)C)C1	ZINC000411959073	558995405	/nfs/dbraw/zinc/99/54/05/558995405.db2.gz	VEWGCIROWKWCHP-CABCVRRESA-N	1	1	374.510	2.287	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)N(C)C)C1	ZINC000411959073	558995407	/nfs/dbraw/zinc/99/54/07/558995407.db2.gz	VEWGCIROWKWCHP-CABCVRRESA-N	1	1	374.510	2.287	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000413311911	559097976	/nfs/dbraw/zinc/09/79/76/559097976.db2.gz	JICPUAQHFGASAZ-UYAOXDASSA-N	1	1	358.530	2.357	20	30		FEEDMO
C=CCc1cc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc(OC)c1O	ZINC000415129712	559207039	/nfs/dbraw/zinc/20/70/39/559207039.db2.gz	PMFPVFYPAVMRAI-KRWDZBQOSA-N	1	1	357.458	2.017	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CCCCOc1cccc(C#N)c1	ZINC000416287861	559302591	/nfs/dbraw/zinc/30/25/91/559302591.db2.gz	CJKJGUORVAZELG-IAGOWNOFSA-N	1	1	359.470	2.021	20	30		FEEDMO
C=CCCS(=O)(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000416594549	559323961	/nfs/dbraw/zinc/32/39/61/559323961.db2.gz	DJBZDGKRGAXTDX-QZTJIDSGSA-N	1	1	352.500	2.019	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C[N@@H+]1CCO	ZINC000416872737	559335939	/nfs/dbraw/zinc/33/59/39/559335939.db2.gz	CAXYSOJGKONMEX-NEPJUHHUSA-N	1	1	370.375	2.496	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C[N@H+]1CCO	ZINC000416872737	559335940	/nfs/dbraw/zinc/33/59/40/559335940.db2.gz	CAXYSOJGKONMEX-NEPJUHHUSA-N	1	1	370.375	2.496	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1C[C@H](C)[N@H+](CCO)C[C@@H]1C	ZINC000419317523	559436672	/nfs/dbraw/zinc/43/66/72/559436672.db2.gz	AJOBMCHBBDNSCT-HOTGVXAUSA-N	1	1	363.527	2.290	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@H](C)C1	ZINC000419627141	559450423	/nfs/dbraw/zinc/45/04/23/559450423.db2.gz	XUBUNYMGHJUHRY-VCBZYWHSSA-N	1	1	356.470	2.032	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(C(=O)NCC2(C#N)CCC2)CC1	ZINC000419632203	559450648	/nfs/dbraw/zinc/45/06/48/559450648.db2.gz	WUNWOJNPEKWYBY-UHFFFAOYSA-N	1	1	350.507	2.460	20	30		FEEDMO
C=CCC[C@@H]1NC(=O)N(C[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1=O	ZINC000419938786	559465627	/nfs/dbraw/zinc/46/56/27/559465627.db2.gz	QGGPHKFJIGCYSD-SJORKVTESA-N	1	1	359.495	2.491	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(F)ccc2OC(F)F)CC1	ZINC000420677195	559497360	/nfs/dbraw/zinc/49/73/60/559497360.db2.gz	MJKRATDEDVOUKB-UHFFFAOYSA-N	1	1	364.389	2.356	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000420738883	559501528	/nfs/dbraw/zinc/50/15/28/559501528.db2.gz	OJXFNBRVLCAMND-CYBMUJFWSA-N	1	1	372.288	2.035	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C#N)cn1CC	ZINC000421164266	559527987	/nfs/dbraw/zinc/52/79/87/559527987.db2.gz	KHHDXWCRFXLVTB-CABCVRRESA-N	1	1	373.457	2.305	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c(C#N)cn1CC	ZINC000421189383	559530059	/nfs/dbraw/zinc/53/00/59/559530059.db2.gz	ZYJKWTLRFCLSDP-IBGZPJMESA-N	1	1	373.457	2.116	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C	ZINC000421292472	559536399	/nfs/dbraw/zinc/53/63/99/559536399.db2.gz	BEKPNSDMPUBPMP-LSDHHAIUSA-N	1	1	374.510	2.429	20	30		FEEDMO
CCN(C(=O)C(=O)NCC(C)(C)CC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000422473745	559590503	/nfs/dbraw/zinc/59/05/03/559590503.db2.gz	CMKQBHSITLUXBR-GOSISDBHSA-N	1	1	370.497	2.165	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422478339	559590914	/nfs/dbraw/zinc/59/09/14/559590914.db2.gz	GZFIUPLKIFIICA-QGZVFWFLSA-N	1	1	370.497	2.165	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000422523875	559592752	/nfs/dbraw/zinc/59/27/52/559592752.db2.gz	DPPRMWUQMGTCKI-OALUTQOASA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1	ZINC000422523875	559592753	/nfs/dbraw/zinc/59/27/53/559592753.db2.gz	DPPRMWUQMGTCKI-OALUTQOASA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C	ZINC000422530686	559593187	/nfs/dbraw/zinc/59/31/87/559593187.db2.gz	RFJBUHQRVZTDSB-DFQSSKMNSA-N	1	1	371.525	2.479	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C	ZINC000422547664	559594391	/nfs/dbraw/zinc/59/43/91/559594391.db2.gz	XFYJPTMHYIIFHJ-MOPGFXCFSA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C	ZINC000422547664	559594392	/nfs/dbraw/zinc/59/43/92/559594392.db2.gz	XFYJPTMHYIIFHJ-MOPGFXCFSA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CCCn1cc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)nn1	ZINC000424576272	559669930	/nfs/dbraw/zinc/66/99/30/559669930.db2.gz	MRTVXYHGTDZUJV-UHFFFAOYSA-N	1	1	353.470	2.421	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1	ZINC000527327558	562285428	/nfs/dbraw/zinc/28/54/28/562285428.db2.gz	QORHXUALSVNQJV-UHFFFAOYSA-N	1	1	356.470	2.384	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1	ZINC000425420897	559701300	/nfs/dbraw/zinc/70/13/00/559701300.db2.gz	NCEFSHKTCJNILM-VDGAXYAQSA-N	1	1	373.497	2.298	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1	ZINC000425420897	559701301	/nfs/dbraw/zinc/70/13/01/559701301.db2.gz	NCEFSHKTCJNILM-VDGAXYAQSA-N	1	1	373.497	2.298	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C	ZINC000425864542	559723170	/nfs/dbraw/zinc/72/31/70/559723170.db2.gz	NOTJWIBUUZZXDK-RHSMWYFYSA-N	1	1	368.437	2.090	20	30		FEEDMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ncc(C#N)cc2Cl)C[C@H](C)O1	ZINC000427898026	559764924	/nfs/dbraw/zinc/76/49/24/559764924.db2.gz	SBUQRKPGHQRTCE-RYUDHWBXSA-N	1	1	350.850	2.224	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(Nc2nc3c(cc2C#N)CCCC3(C)C)CC1	ZINC000428119070	559769983	/nfs/dbraw/zinc/76/99/83/559769983.db2.gz	HNGBPMQEFBOLKP-UHFFFAOYSA-N	1	1	355.486	2.189	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NCCC3=CCCCC3)C2)nc1	ZINC000428801912	559783732	/nfs/dbraw/zinc/78/37/32/559783732.db2.gz	GMHYNQZHQFOMAS-GOSISDBHSA-N	1	1	354.454	2.413	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NCCC3=CCCCC3)C2)nc1	ZINC000428801912	559783733	/nfs/dbraw/zinc/78/37/33/559783733.db2.gz	GMHYNQZHQFOMAS-GOSISDBHSA-N	1	1	354.454	2.413	20	30		FEEDMO
Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428816814	559783991	/nfs/dbraw/zinc/78/39/91/559783991.db2.gz	JMGVUULFBAUHPL-QFBILLFUSA-N	1	1	364.449	2.420	20	30		FEEDMO
Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428816814	559783992	/nfs/dbraw/zinc/78/39/92/559783992.db2.gz	JMGVUULFBAUHPL-QFBILLFUSA-N	1	1	364.449	2.420	20	30		FEEDMO
Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428818567	559784151	/nfs/dbraw/zinc/78/41/51/559784151.db2.gz	NOUOXLAKYLSOEF-OALUTQOASA-N	1	1	367.449	2.463	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)OCC	ZINC000428974350	559787091	/nfs/dbraw/zinc/78/70/91/559787091.db2.gz	FGAAKKFVOVWHTM-TZIWHRDSSA-N	1	1	360.498	2.453	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000432462444	559859251	/nfs/dbraw/zinc/85/92/51/559859251.db2.gz	SXNYCRIHXGPLPR-MSOLQXFVSA-N	1	1	354.454	2.410	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000433013431	559869925	/nfs/dbraw/zinc/86/99/25/559869925.db2.gz	NYFNWZWQAPLLEI-LLVKDONJSA-N	1	1	374.304	2.329	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C	ZINC000439455549	559994322	/nfs/dbraw/zinc/99/43/22/559994322.db2.gz	VGCDYBQVZUBHHS-MRXNPFEDSA-N	1	1	372.469	2.132	20	30		FEEDMO
CC(C)(C)OC(=O)CN[C@]1(C)CC[N@@H+](CCOc2cccc(C#N)c2)C1	ZINC000440526565	560013705	/nfs/dbraw/zinc/01/37/05/560013705.db2.gz	YAYAVNIMCBOKCG-HXUWFJFHSA-N	1	1	359.470	2.333	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000442144985	560044907	/nfs/dbraw/zinc/04/49/07/560044907.db2.gz	YWDXKCHEMUHMTB-QLFBSQMISA-N	1	1	374.510	2.476	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000443087699	560070072	/nfs/dbraw/zinc/07/00/72/560070072.db2.gz	QRBPUCIPTSOKII-KRWDZBQOSA-N	1	1	359.426	2.250	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000443087699	560070073	/nfs/dbraw/zinc/07/00/73/560070073.db2.gz	QRBPUCIPTSOKII-KRWDZBQOSA-N	1	1	359.426	2.250	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C	ZINC000447927401	560173365	/nfs/dbraw/zinc/17/33/65/560173365.db2.gz	OZIYTZWVEBLRBI-GHTZIAJQSA-N	1	1	360.498	2.453	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc1	ZINC000527746510	562302287	/nfs/dbraw/zinc/30/22/87/562302287.db2.gz	SLNHLZRHFLHWKX-UHFFFAOYSA-N	1	1	359.433	2.102	20	30		FEEDMO
C[C@@H]1C[C@@]1(C#N)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000448892540	560205096	/nfs/dbraw/zinc/20/50/96/560205096.db2.gz	CSLSHBVAWLDJGZ-IERDGZPVSA-N	1	1	371.481	2.342	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000448983016	560210218	/nfs/dbraw/zinc/21/02/18/560210218.db2.gz	ZAFHOCFRWDTOQE-CQSZACIVSA-N	1	1	362.861	2.021	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](Cc2cc3ccccc3c(OC)c2)CC1	ZINC000449006765	560211644	/nfs/dbraw/zinc/21/16/44/560211644.db2.gz	ACTNRJMIRSJTSX-UHFFFAOYSA-N	1	1	353.466	2.268	20	30		FEEDMO
C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)CC(C)(C)CCC#N	ZINC000449757619	560239079	/nfs/dbraw/zinc/23/90/79/560239079.db2.gz	TWCSMUWMPFUWNK-UHFFFAOYSA-N	1	1	357.451	2.114	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CC[N@H+]1C	ZINC000449943190	560245897	/nfs/dbraw/zinc/24/58/97/560245897.db2.gz	YHBQHRIBCFXCRC-AAEUAGOBSA-N	1	1	366.259	2.298	20	30		FEEDMO
C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)COc1cccc(Br)c1C#N	ZINC000450245220	560255342	/nfs/dbraw/zinc/25/53/42/560255342.db2.gz	XJMSZCFEOFPDJK-TXEJJXNPSA-N	1	1	366.259	2.251	20	30		FEEDMO
C[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)[C@@H](C)C[N@H+]1C	ZINC000450346687	560259322	/nfs/dbraw/zinc/25/93/22/560259322.db2.gz	FPFQZWZHMHQFSB-NEPJUHHUSA-N	1	1	366.259	2.251	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)COc1ccc(C#N)c(Br)c1	ZINC000450346690	560259373	/nfs/dbraw/zinc/25/93/73/560259373.db2.gz	FPFQZWZHMHQFSB-VXGBXAGGSA-N	1	1	366.259	2.251	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC[N@H+]1C	ZINC000450559069	560266159	/nfs/dbraw/zinc/26/61/59/560266159.db2.gz	XJUKLYHBRHYKMI-MRRJBJDNSA-N	1	1	374.872	2.163	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1	ZINC000451026597	560283112	/nfs/dbraw/zinc/28/31/12/560283112.db2.gz	LOSHBMGBVPZVSZ-IAGOWNOFSA-N	1	1	358.486	2.190	20	30		FEEDMO
CC[C@@H](CNS(=O)(=O)CC1(CC#N)CC1)[N@H+]1CCc2ccccc2C1	ZINC000451046089	560284491	/nfs/dbraw/zinc/28/44/91/560284491.db2.gz	ZLKZJDHOPHOZRW-SFHVURJKSA-N	1	1	361.511	2.437	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451238806	560295004	/nfs/dbraw/zinc/29/50/04/560295004.db2.gz	DXPDJKIYTBXUEY-DOMZBBRYSA-N	1	1	355.891	2.367	20	30		FEEDMO
C[C@@H]1[C@@H](O)CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000451460358	560308370	/nfs/dbraw/zinc/30/83/70/560308370.db2.gz	RFMSGDJKMXDKRU-CJNGLKHVSA-N	1	1	354.372	2.018	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1	ZINC000451706004	560323555	/nfs/dbraw/zinc/32/35/55/560323555.db2.gz	JFOKBTBWXOAHKZ-GHTZIAJQSA-N	1	1	356.514	2.495	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1	ZINC000451996051	560343739	/nfs/dbraw/zinc/34/37/39/560343739.db2.gz	PBYPZIIMWGKZII-YTQUADARSA-N	1	1	356.466	2.464	20	30		FEEDMO
C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1	ZINC000452033380	560346789	/nfs/dbraw/zinc/34/67/89/560346789.db2.gz	CDWXEXZKCMZGAE-MRXNPFEDSA-N	1	1	371.403	2.256	20	30		FEEDMO
CC(C)(CN1CCCC1)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000452091930	560350769	/nfs/dbraw/zinc/35/07/69/560350769.db2.gz	CIXTZNXYDHYWRG-UHFFFAOYSA-N	1	1	366.469	2.146	20	30		FEEDMO
CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H]2CCc3ccc(C#N)cc32)CC1	ZINC000453279354	560385262	/nfs/dbraw/zinc/38/52/62/560385262.db2.gz	QCXQQIGOQWXQFY-CRICUBBOSA-N	1	1	360.479	2.322	20	30		FEEDMO
C=CCn1c(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1[C@]1(C)CCCO1	ZINC000453444802	560386794	/nfs/dbraw/zinc/38/67/94/560386794.db2.gz	SYTWEMNQSMDKAU-FCEWJHQRSA-N	1	1	363.506	2.035	20	30		FEEDMO
C=CCn1c(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nnc1[C@]1(C)CCCO1	ZINC000453444802	560386795	/nfs/dbraw/zinc/38/67/95/560386795.db2.gz	SYTWEMNQSMDKAU-FCEWJHQRSA-N	1	1	363.506	2.035	20	30		FEEDMO
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1	ZINC000453465849	560387389	/nfs/dbraw/zinc/38/73/89/560387389.db2.gz	NJEAQPJDXXCNNG-IAGOWNOFSA-N	1	1	363.506	2.253	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[NH+](CCOC(C)C)CC1	ZINC000453469538	560387554	/nfs/dbraw/zinc/38/75/54/560387554.db2.gz	XJUAJCOFWQPQOR-KRWDZBQOSA-N	1	1	363.506	2.253	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000453608146	560390957	/nfs/dbraw/zinc/39/09/57/560390957.db2.gz	OQDQVAAIXZORJJ-CYBMUJFWSA-N	1	1	362.861	2.193	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453613684	560391379	/nfs/dbraw/zinc/39/13/79/560391379.db2.gz	NUJKAAMYSJLPHN-XHSDSOJGSA-N	1	1	356.470	2.174	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453629499	560391990	/nfs/dbraw/zinc/39/19/90/560391990.db2.gz	XXGMJKYPUDLQEM-OAHLLOKOSA-N	1	1	356.470	2.318	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C)cc(C#N)c1	ZINC000453659191	560394199	/nfs/dbraw/zinc/39/41/99/560394199.db2.gz	BMECJZQGVHFERJ-QGZVFWFLSA-N	1	1	351.410	2.001	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000453665637	560394814	/nfs/dbraw/zinc/39/48/14/560394814.db2.gz	GUBHGGTYIYCGMR-WBMJQRKESA-N	1	1	362.861	2.189	20	30		FEEDMO
CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000453686761	560396653	/nfs/dbraw/zinc/39/66/53/560396653.db2.gz	IXDJTDXEWVHTHK-UHFFFAOYSA-N	1	1	360.845	2.113	20	30		FEEDMO
C=C(CC)CNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000454022269	560422639	/nfs/dbraw/zinc/42/26/39/560422639.db2.gz	DNRCQMVOCWXHIT-HZPDHXFCSA-N	1	1	359.470	2.317	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1C#N	ZINC000454103532	560429493	/nfs/dbraw/zinc/42/94/93/560429493.db2.gz	PMKNXHDSZVPTCG-QGZVFWFLSA-N	1	1	372.469	2.225	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C	ZINC000454532741	560448496	/nfs/dbraw/zinc/44/84/96/560448496.db2.gz	ZBHPTWICRYAILW-TVFCKZIOSA-N	1	1	353.507	2.156	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C	ZINC000454532739	560448539	/nfs/dbraw/zinc/44/85/39/560448539.db2.gz	ZBHPTWICRYAILW-FJIDUMEYSA-N	1	1	353.507	2.156	20	30		FEEDMO
CCN1CC[NH+](CCCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1	ZINC000454713094	560455433	/nfs/dbraw/zinc/45/54/33/560455433.db2.gz	KZYQZHOHMDNUIX-UHFFFAOYSA-N	1	1	356.514	2.271	20	30		FEEDMO
CC#CCN(C)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000454738612	560456153	/nfs/dbraw/zinc/45/61/53/560456153.db2.gz	VATJQOBDACUILW-UHFFFAOYSA-N	1	1	354.454	2.461	20	30		FEEDMO
C[C@H]1CN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@@H+]1CCO	ZINC000455769452	560494363	/nfs/dbraw/zinc/49/43/63/560494363.db2.gz	LNCNSRCJEDWXLE-AWEZNQCLSA-N	1	1	360.458	2.266	20	30		FEEDMO
C[C@H]1CN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@H+]1CCO	ZINC000455769452	560494364	/nfs/dbraw/zinc/49/43/64/560494364.db2.gz	LNCNSRCJEDWXLE-AWEZNQCLSA-N	1	1	360.458	2.266	20	30		FEEDMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000455806326	560495281	/nfs/dbraw/zinc/49/52/81/560495281.db2.gz	YADDCKSSKPDXHJ-OAHLLOKOSA-N	1	1	373.501	2.493	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000456272372	560513801	/nfs/dbraw/zinc/51/38/01/560513801.db2.gz	YIXDHOHHXYRTDH-MJGOQNOKSA-N	1	1	361.461	2.431	20	30		FEEDMO
C=C(C)[C@H](NC(=O)N1CC[N@@H+](CCO)C[C@H]1C)c1ccc(F)c(F)c1	ZINC000458669781	560639771	/nfs/dbraw/zinc/63/97/71/560639771.db2.gz	KXFJVPXPRWZTAI-DYVFJYSZSA-N	1	1	353.413	2.290	20	30		FEEDMO
C=C(C)[C@H](NC(=O)N1CC[N@H+](CCO)C[C@H]1C)c1ccc(F)c(F)c1	ZINC000458669781	560639772	/nfs/dbraw/zinc/63/97/72/560639772.db2.gz	KXFJVPXPRWZTAI-DYVFJYSZSA-N	1	1	353.413	2.290	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000459351222	560681419	/nfs/dbraw/zinc/68/14/19/560681419.db2.gz	CJYBRABLQXMADD-MRXNPFEDSA-N	1	1	357.458	2.198	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000459351222	560681421	/nfs/dbraw/zinc/68/14/21/560681421.db2.gz	CJYBRABLQXMADD-MRXNPFEDSA-N	1	1	357.458	2.198	20	30		FEEDMO
C=CCCCCCN(C)C(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1	ZINC000460019145	560729247	/nfs/dbraw/zinc/72/92/47/560729247.db2.gz	XTJGPVINWOYNKM-UHFFFAOYSA-N	1	1	358.486	2.243	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000460804419	560752277	/nfs/dbraw/zinc/75/22/77/560752277.db2.gz	PWWCVZACNOMMHW-QGZVFWFLSA-N	1	1	374.533	2.446	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H]3C#N)C2)cc(OC)c1	ZINC000461945060	560789002	/nfs/dbraw/zinc/78/90/02/560789002.db2.gz	BUVTUSNVXXORTA-JTDSTZFVSA-N	1	1	372.469	2.270	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@@H]3CCC[C@@H]3C#N)C2)cc(OC)c1	ZINC000461945060	560789003	/nfs/dbraw/zinc/78/90/03/560789003.db2.gz	BUVTUSNVXXORTA-JTDSTZFVSA-N	1	1	372.469	2.270	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CCC[C@H]2C#N)CC1	ZINC000461962761	560789835	/nfs/dbraw/zinc/78/98/35/560789835.db2.gz	GZCVCUOPCKTHSC-PXNSSMCTSA-N	1	1	369.513	2.316	20	30		FEEDMO
C[N@@H+](CCNC(=O)C1CCN(C(=O)CCCC#N)CC1)Cc1ccccc1	ZINC000462156633	560799385	/nfs/dbraw/zinc/79/93/85/560799385.db2.gz	PYMGCGRUGCJFQN-UHFFFAOYSA-N	1	1	370.497	2.167	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC[N@H+]1C	ZINC000466040745	560878815	/nfs/dbraw/zinc/87/88/15/560878815.db2.gz	VFURQYKZUALQMQ-GDBMZVCRSA-N	1	1	359.449	2.012	20	30		FEEDMO
COC(=O)[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H]1C	ZINC000469997541	560971229	/nfs/dbraw/zinc/97/12/29/560971229.db2.gz	AJAYBFOWHDPDMB-CJNGLKHVSA-N	1	1	363.845	2.470	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@H]1C	ZINC000469997541	560971230	/nfs/dbraw/zinc/97/12/30/560971230.db2.gz	AJAYBFOWHDPDMB-CJNGLKHVSA-N	1	1	363.845	2.470	20	30		FEEDMO
CC[N@@H+](CCO)CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1	ZINC000470593363	560985263	/nfs/dbraw/zinc/98/52/63/560985263.db2.gz	YOMONFWGCXNSJP-UHFFFAOYSA-N	1	1	352.438	2.346	20	30		FEEDMO
C=CCC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1	ZINC000472583800	561029955	/nfs/dbraw/zinc/02/99/55/561029955.db2.gz	BRUIDBXGVSCCCD-HKUYNNGSSA-N	1	1	360.498	2.488	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3nn[nH]c3C1)CCCCC2	ZINC000472776700	561035061	/nfs/dbraw/zinc/03/50/61/561035061.db2.gz	XLSSYTPNCSUATF-UHFFFAOYSA-N	1	1	370.482	2.394	20	30		FEEDMO
COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(-c2cnn(C)c2)nc1	ZINC000474159737	561067015	/nfs/dbraw/zinc/06/70/15/561067015.db2.gz	RCOYVHVKWVUYIU-UHFFFAOYSA-N	1	1	362.437	2.397	20	30		FEEDMO
COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(-c2cnn(C)c2)nc1	ZINC000474159737	561067016	/nfs/dbraw/zinc/06/70/16/561067016.db2.gz	RCOYVHVKWVUYIU-UHFFFAOYSA-N	1	1	362.437	2.397	20	30		FEEDMO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H]1CC[N@H+](CCOC)C1	ZINC000475269214	561093807	/nfs/dbraw/zinc/09/38/07/561093807.db2.gz	KULWOFOQUSSIQC-KRWDZBQOSA-N	1	1	373.497	2.314	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3cc(Cl)cn3)CC2)cc1	ZINC000476207517	561113225	/nfs/dbraw/zinc/11/32/25/561113225.db2.gz	IVSVSCLDDLILJL-UHFFFAOYSA-N	1	1	357.845	2.143	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cc(Cl)cn3)CC2)cc1	ZINC000476207517	561113226	/nfs/dbraw/zinc/11/32/26/561113226.db2.gz	IVSVSCLDDLILJL-UHFFFAOYSA-N	1	1	357.845	2.143	20	30		FEEDMO
Cn1ncc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1C#N	ZINC000476240020	561114282	/nfs/dbraw/zinc/11/42/82/561114282.db2.gz	RXZMLHBBMUSOIK-OAQYLSRUSA-N	1	1	363.465	2.420	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1	ZINC000528357005	562324606	/nfs/dbraw/zinc/32/46/06/562324606.db2.gz	GKDTWJDQZLGLNC-QGZVFWFLSA-N	1	1	372.856	2.169	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@]2(CCCOC2)C1	ZINC000528400454	562327087	/nfs/dbraw/zinc/32/70/87/562327087.db2.gz	OPORSRVWCZLBEE-OAQYLSRUSA-N	1	1	352.434	2.179	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000528424274	562328638	/nfs/dbraw/zinc/32/86/38/562328638.db2.gz	LMOZKXPQZOUHCH-RLLQIKCJSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000528424274	562328639	/nfs/dbraw/zinc/32/86/39/562328639.db2.gz	LMOZKXPQZOUHCH-RLLQIKCJSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1	ZINC000528424274	562328640	/nfs/dbraw/zinc/32/86/40/562328640.db2.gz	LMOZKXPQZOUHCH-RLLQIKCJSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1	ZINC000528424274	562328641	/nfs/dbraw/zinc/32/86/41/562328641.db2.gz	LMOZKXPQZOUHCH-RLLQIKCJSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000528424274	562328642	/nfs/dbraw/zinc/32/86/42/562328642.db2.gz	LMOZKXPQZOUHCH-RLLQIKCJSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000528424274	562328643	/nfs/dbraw/zinc/32/86/43/562328643.db2.gz	LMOZKXPQZOUHCH-RLLQIKCJSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1	ZINC000528438811	562329318	/nfs/dbraw/zinc/32/93/18/562329318.db2.gz	NFFYUHXHLIQMKY-ICSRJNTNSA-N	1	1	356.397	2.031	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCCC1	ZINC000528473863	562331090	/nfs/dbraw/zinc/33/10/90/562331090.db2.gz	IXUZCVFEEXFMGD-MRXNPFEDSA-N	1	1	351.447	2.383	20	30		FEEDMO
N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1	ZINC000528490078	562332028	/nfs/dbraw/zinc/33/20/28/562332028.db2.gz	PPNNAGRRZVZVIB-ROUUACIJSA-N	1	1	363.889	2.188	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO	ZINC000528642085	562339983	/nfs/dbraw/zinc/33/99/83/562339983.db2.gz	UREQHXNDWLGJSD-QGZVFWFLSA-N	1	1	357.454	2.140	20	30		FEEDMO
COCc1ccc(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1C#N	ZINC000529206866	562364760	/nfs/dbraw/zinc/36/47/60/562364760.db2.gz	YNJJSJFANUXQJI-OAHLLOKOSA-N	1	1	372.469	2.422	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1	ZINC000529719713	562382525	/nfs/dbraw/zinc/38/25/25/562382525.db2.gz	OZHATUWEEWSBIH-QGZVFWFLSA-N	1	1	357.454	2.469	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)cc2C1=O	ZINC000530026664	562395055	/nfs/dbraw/zinc/39/50/55/562395055.db2.gz	NDNXBLDCHISIER-INIZCTEOSA-N	1	1	367.449	2.215	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000532067626	562465813	/nfs/dbraw/zinc/46/58/13/562465813.db2.gz	QMKBURSUUXXMNR-RDTXWAMCSA-N	1	1	371.460	2.012	20	30		FEEDMO
C[C@@H](C#N)C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1	ZINC000533138418	562499757	/nfs/dbraw/zinc/49/97/57/562499757.db2.gz	FFRRKDAVMPMDEI-INIZCTEOSA-N	1	1	358.461	2.488	20	30		FEEDMO
C[C@@H](C#N)C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC1	ZINC000533138418	562499758	/nfs/dbraw/zinc/49/97/58/562499758.db2.gz	FFRRKDAVMPMDEI-INIZCTEOSA-N	1	1	358.461	2.488	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OCCO)CC1	ZINC000533803895	562518451	/nfs/dbraw/zinc/51/84/51/562518451.db2.gz	WSBJLRUARHNENJ-LBPRGKRZSA-N	1	1	351.834	2.012	20	30		FEEDMO
COC(=O)c1cccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1C#N	ZINC000534127314	562525970	/nfs/dbraw/zinc/52/59/70/562525970.db2.gz	BDZNQFMJGUQSDE-OAHLLOKOSA-N	1	1	358.438	2.362	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1OC	ZINC000534726733	562541344	/nfs/dbraw/zinc/54/13/44/562541344.db2.gz	KQCBUGFLXXPRNV-UHFFFAOYSA-N	1	1	362.470	2.179	20	30		FEEDMO
C[N@@H+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C2(CCCCC2)C1	ZINC000536586873	562579746	/nfs/dbraw/zinc/57/97/46/562579746.db2.gz	OEOKVTXUWOKMMO-UHFFFAOYSA-N	1	1	365.474	2.477	20	30		FEEDMO
C[N@H+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C2(CCCCC2)C1	ZINC000536586873	562579747	/nfs/dbraw/zinc/57/97/47/562579747.db2.gz	OEOKVTXUWOKMMO-UHFFFAOYSA-N	1	1	365.474	2.477	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@@H](C)C1	ZINC000537118454	562585846	/nfs/dbraw/zinc/58/58/46/562585846.db2.gz	MRMGWTYARQMGNF-ZDUSSCGKSA-N	1	1	367.396	2.229	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)cc1	ZINC000541315272	562608741	/nfs/dbraw/zinc/60/87/41/562608741.db2.gz	AMTZXAIDCOWHFR-SNRMKQJTSA-N	1	1	357.454	2.035	20	30		FEEDMO
C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccnc(N2CCN(C)CC2)c1	ZINC000602513130	567989473	/nfs/dbraw/zinc/98/94/73/567989473.db2.gz	CUYGQDFSKIRBRG-QGZVFWFLSA-N	1	1	357.502	2.022	20	30		FEEDMO
Cc1cc(C#N)cnc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000568417174	568032234	/nfs/dbraw/zinc/03/22/34/568032234.db2.gz	VXFMHDKGPQCQTP-UHFFFAOYSA-N	1	1	359.433	2.481	20	30		FEEDMO
Cc1cc(C#N)cnc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000568417174	568032235	/nfs/dbraw/zinc/03/22/35/568032235.db2.gz	VXFMHDKGPQCQTP-UHFFFAOYSA-N	1	1	359.433	2.481	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N)C1CC1	ZINC000568492478	568043414	/nfs/dbraw/zinc/04/34/14/568043414.db2.gz	PXZVFAPRHWRDQQ-UHFFFAOYSA-N	1	1	362.499	2.456	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCNc1c(C#N)cnc2c(F)c(F)c(F)cc21	ZINC000569042731	568278405	/nfs/dbraw/zinc/27/84/05/568278405.db2.gz	NXRPMAOVHZDTFZ-UHFFFAOYSA-N	1	1	365.403	2.241	20	30		FEEDMO
CN(CCCNc1c(C#N)cnc2c(F)c(F)c(F)cc21)CC[NH+](C)C	ZINC000569042731	568278407	/nfs/dbraw/zinc/27/84/07/568278407.db2.gz	NXRPMAOVHZDTFZ-UHFFFAOYSA-N	1	1	365.403	2.241	20	30		FEEDMO
N#CCCC1CC[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1	ZINC000563144901	568293641	/nfs/dbraw/zinc/29/36/41/568293641.db2.gz	UIEKSBMGCGGQDV-INIZCTEOSA-N	1	1	356.382	2.242	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)[C@H]1c1ccccc1	ZINC000569994131	568447725	/nfs/dbraw/zinc/44/77/25/568447725.db2.gz	PMWJWIVHRNEUMT-ZWKOTPCHSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)[C@H]1c1ccccc1	ZINC000569994131	568447727	/nfs/dbraw/zinc/44/77/27/568447727.db2.gz	PMWJWIVHRNEUMT-ZWKOTPCHSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)CCN1Cc1ccccc1C#N	ZINC000737196415	598899436	/nfs/dbraw/zinc/89/94/36/598899436.db2.gz	HRMIEHBFWHXQPK-INIZCTEOSA-N	1	1	373.464	2.445	20	30		FEEDMO
CC(C)(C#N)CCS(=O)(=O)NCC1(C[NH+]2CCOCC2)CCCCC1	ZINC000558428008	674494944	/nfs/dbraw/zinc/49/49/44/674494944.db2.gz	QUMGFJPIOVAAMT-UHFFFAOYSA-N	1	1	371.547	2.128	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F	ZINC000810573472	674550976	/nfs/dbraw/zinc/55/09/76/674550976.db2.gz	RDMSRXXMCRHBCE-VXGBXAGGSA-N	1	1	364.364	2.083	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1	ZINC000562543552	674767628	/nfs/dbraw/zinc/76/76/28/674767628.db2.gz	ZKDYLJLLZFZZDL-YSVLISHTSA-N	1	1	363.845	2.012	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1	ZINC000562543552	674767631	/nfs/dbraw/zinc/76/76/31/674767631.db2.gz	ZKDYLJLLZFZZDL-YSVLISHTSA-N	1	1	363.845	2.012	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)c(O)c(OC)c1	ZINC000814226805	674827053	/nfs/dbraw/zinc/82/70/53/674827053.db2.gz	KCBLFDQNIOIWGH-HNNXBMFYSA-N	1	1	353.484	2.386	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)/C=C/c1cccc(Br)c1	ZINC000815083268	674914509	/nfs/dbraw/zinc/91/45/09/674914509.db2.gz	VBOZAENKIZNTSP-XYOKQWHBSA-N	1	1	371.300	2.294	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1Cl	ZINC000564289256	674990851	/nfs/dbraw/zinc/99/08/51/674990851.db2.gz	YMRQJGXHDHTQGB-LXZKKBNFSA-N	1	1	363.845	2.012	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1Cl	ZINC000564289257	674990916	/nfs/dbraw/zinc/99/09/16/674990916.db2.gz	YMRQJGXHDHTQGB-UNEWFSDZSA-N	1	1	363.845	2.012	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1snc(Cl)c1C#N	ZINC001048710789	675013377	/nfs/dbraw/zinc/01/33/77/675013377.db2.gz	IOABFOYHSGPXPU-WCFLWFBJSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@@H]2C1	ZINC001049068515	675022262	/nfs/dbraw/zinc/02/22/62/675022262.db2.gz	WJRINBSWPLMMKW-SIRPWMCASA-N	1	1	354.441	2.403	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)COCc2cccs2)c1	ZINC000076748876	670554580	/nfs/dbraw/zinc/55/45/80/670554580.db2.gz	INSQYGFWUJGVFJ-KRWDZBQOSA-N	1	1	358.463	2.177	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)COCc2cccs2)c1	ZINC000076748876	670554584	/nfs/dbraw/zinc/55/45/84/670554584.db2.gz	INSQYGFWUJGVFJ-KRWDZBQOSA-N	1	1	358.463	2.177	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1ccc(Cl)cc1	ZINC000569809253	670616125	/nfs/dbraw/zinc/61/61/25/670616125.db2.gz	VGEBCZNZTMAWFY-UHFFFAOYSA-N	1	1	360.849	2.410	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cn1	ZINC000109136255	670837877	/nfs/dbraw/zinc/83/78/77/670837877.db2.gz	QJOCLOHMRAXBTC-QGZVFWFLSA-N	1	1	362.499	2.276	20	30		FEEDMO
O=C(NCC[NH2+]Cc1csc(-c2ccsc2)n1)C1N=CC=CC1=O	ZINC000113360736	670884433	/nfs/dbraw/zinc/88/44/33/670884433.db2.gz	HYPYIEMPNPPUJW-PFONDFGASA-N	1	1	360.464	2.488	20	30		FEEDMO
O=S(=O)(NC[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1	ZINC000572863740	671053519	/nfs/dbraw/zinc/05/35/19/671053519.db2.gz	CEZMHEKGXNCUPV-INIZCTEOSA-N	1	1	366.914	2.485	20	30		FEEDMO
O=S(=O)(NC[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)C1CC1	ZINC000572863740	671053525	/nfs/dbraw/zinc/05/35/25/671053525.db2.gz	CEZMHEKGXNCUPV-INIZCTEOSA-N	1	1	366.914	2.485	20	30		FEEDMO
CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1sccc1C#N	ZINC000574348942	671229219	/nfs/dbraw/zinc/22/92/19/671229219.db2.gz	CMAJBSDMBLBKRT-CYBMUJFWSA-N	1	1	357.439	2.008	20	30		FEEDMO
C[C@H](CNc1nc2c(cc1C#N)COCC2)[N@H+]1CCc2sccc2C1	ZINC000576075018	671342261	/nfs/dbraw/zinc/34/22/61/671342261.db2.gz	WTJUVHTXNDXVSK-CYBMUJFWSA-N	1	1	354.479	2.946	20	30		FEEDMO
CC[C@H](CC#N)[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1	ZINC000576954512	671407042	/nfs/dbraw/zinc/40/70/42/671407042.db2.gz	MHWMTKORTLGENQ-CYBMUJFWSA-N	1	1	370.284	2.319	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)N(C)C	ZINC000609845936	675939107	/nfs/dbraw/zinc/93/91/07/675939107.db2.gz	YIFQIHMCQQAGIX-UHFFFAOYSA-N	1	1	362.499	2.237	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2cccnc2C#N)C1	ZINC000582098853	671967530	/nfs/dbraw/zinc/96/75/30/671967530.db2.gz	BBVZVGBLFDICTA-ZBFHGGJFSA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2cccnc2C#N)C1	ZINC000582098853	671967533	/nfs/dbraw/zinc/96/75/33/671967533.db2.gz	BBVZVGBLFDICTA-ZBFHGGJFSA-N	1	1	356.451	2.067	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1	ZINC000610391016	675968764	/nfs/dbraw/zinc/96/87/64/675968764.db2.gz	IKLYPFRESDEZNG-QGZVFWFLSA-N	1	1	350.413	2.459	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc(-n3ccnc3SC)cc2)CC1	ZINC000127877500	672042928	/nfs/dbraw/zinc/04/29/28/672042928.db2.gz	LETDEGWDEJNNJY-UHFFFAOYSA-N	1	1	354.479	2.375	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1	ZINC000170959557	672327752	/nfs/dbraw/zinc/32/77/52/672327752.db2.gz	YSEGUWHMOZIXFW-CQSZACIVSA-N	1	1	352.479	2.078	20	30		FEEDMO
C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCO1	ZINC000610901858	676004718	/nfs/dbraw/zinc/00/47/18/676004718.db2.gz	IQJKIAUNICOBPK-IINYFYTJSA-N	1	1	356.348	2.418	20	30		FEEDMO
C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000610901858	676004719	/nfs/dbraw/zinc/00/47/19/676004719.db2.gz	IQJKIAUNICOBPK-IINYFYTJSA-N	1	1	356.348	2.418	20	30		FEEDMO
CC(C)CCC(N)=[NH+]OCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1	ZINC000174129158	672358182	/nfs/dbraw/zinc/35/81/82/672358182.db2.gz	JRFRVNXZWOIFGR-INIZCTEOSA-N	1	1	351.422	2.451	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1cccc(CC#N)c1	ZINC000586775985	672433725	/nfs/dbraw/zinc/43/37/25/672433725.db2.gz	AKULVOJOJRIYIX-UHFFFAOYSA-N	1	1	361.467	2.488	20	30		FEEDMO
C=C[C@H](O)C(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000611721933	676052021	/nfs/dbraw/zinc/05/20/21/676052021.db2.gz	NUJDDXTXNIKKDH-CVEARBPZSA-N	1	1	356.388	2.446	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCn2c(CC3CC3)nnc2C1	ZINC000593057824	672869083	/nfs/dbraw/zinc/86/90/83/672869083.db2.gz	CINKKLBNRSDPAF-UHFFFAOYSA-N	1	1	356.455	2.008	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCn2c(CC3CC3)nnc2C1	ZINC000593057824	672869088	/nfs/dbraw/zinc/86/90/88/672869088.db2.gz	CINKKLBNRSDPAF-UHFFFAOYSA-N	1	1	356.455	2.008	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1ccc(Br)cc1C#N	ZINC000593572956	672947530	/nfs/dbraw/zinc/94/75/30/672947530.db2.gz	QZELZPHDPLQFNW-NWDGAFQWSA-N	1	1	350.260	2.414	20	30		FEEDMO
CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000612611343	676090377	/nfs/dbraw/zinc/09/03/77/676090377.db2.gz	NMFDJGZEVNQZIB-QGZVFWFLSA-N	1	1	360.889	2.452	20	30		FEEDMO
CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000612611343	676090379	/nfs/dbraw/zinc/09/03/79/676090379.db2.gz	NMFDJGZEVNQZIB-QGZVFWFLSA-N	1	1	360.889	2.452	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1Cl	ZINC000594325122	673058817	/nfs/dbraw/zinc/05/88/17/673058817.db2.gz	BGXIHOCSKAIWIJ-HOTGVXAUSA-N	1	1	360.845	2.283	20	30		FEEDMO
Cn1c2ccc(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cc2nc1C(F)F	ZINC000328835092	673067561	/nfs/dbraw/zinc/06/75/61/673067561.db2.gz	SFVBWSSBEDLOJQ-GFCCVEGCSA-N	1	1	351.401	2.061	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)[N@H+](C)C1	ZINC000329012994	673070924	/nfs/dbraw/zinc/07/09/24/673070924.db2.gz	IXBONTOWKHQAIO-LNSITVRQSA-N	1	1	351.834	2.121	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)[N@@H+](C)C1	ZINC000329012994	673070926	/nfs/dbraw/zinc/07/09/26/673070926.db2.gz	IXBONTOWKHQAIO-LNSITVRQSA-N	1	1	351.834	2.121	20	30		FEEDMO
O=C(N[C@H]1CCS(=O)(=O)C1)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2	ZINC000329183692	673073318	/nfs/dbraw/zinc/07/33/18/673073318.db2.gz	FQRYVCXSPLXZBV-AOIWGVFYSA-N	1	1	362.495	2.432	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)[C@@H](C)C1	ZINC000329301107	673074908	/nfs/dbraw/zinc/07/49/08/673074908.db2.gz	VZYWNBADIWNRSM-YESZJQIVSA-N	1	1	353.507	2.169	20	30		FEEDMO
CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2OC)CC1	ZINC000594475333	673081952	/nfs/dbraw/zinc/08/19/52/673081952.db2.gz	PSHNNQWFFBVSOO-UHFFFAOYSA-N	1	1	351.472	2.062	20	30		FEEDMO
O=C(N[C@@H]1CCCS(=O)(=O)C1)c1cnn(-c2cc[nH+]cc2)c1C(F)F	ZINC000330222502	673087028	/nfs/dbraw/zinc/08/70/28/673087028.db2.gz	MMQZSBFVYSBWMQ-SNVBAGLBSA-N	1	1	370.381	2.087	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1	ZINC000594483472	673087220	/nfs/dbraw/zinc/08/72/20/673087220.db2.gz	LJOUMGSRPPIIRK-IAGOWNOFSA-N	1	1	351.447	2.134	20	30		FEEDMO
CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1	ZINC000595352689	673230721	/nfs/dbraw/zinc/23/07/21/673230721.db2.gz	BHBIBASJMBBGOX-LBPRGKRZSA-N	1	1	361.389	2.340	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1	ZINC000595409193	673245276	/nfs/dbraw/zinc/24/52/76/673245276.db2.gz	BBBIAOLJPXZLCZ-AWEZNQCLSA-N	1	1	351.447	2.098	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@@H](C)C1	ZINC000595512321	673259728	/nfs/dbraw/zinc/25/97/28/673259728.db2.gz	XOPJYXUBHBDZDK-BZSNNMDCSA-N	1	1	350.507	2.459	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1	ZINC000730106080	673262600	/nfs/dbraw/zinc/26/26/00/673262600.db2.gz	WKCWIHWHLYEDIY-SFHVURJKSA-N	1	1	363.864	2.221	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1	ZINC000730106080	673262603	/nfs/dbraw/zinc/26/26/03/673262603.db2.gz	WKCWIHWHLYEDIY-SFHVURJKSA-N	1	1	363.864	2.221	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCOc1ccc(Br)cc1	ZINC000730271965	673268499	/nfs/dbraw/zinc/26/84/99/673268499.db2.gz	GGGLSDLEOGUOAR-INIZCTEOSA-N	1	1	365.271	2.384	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCOc1ccc(Br)cc1	ZINC000730271965	673268502	/nfs/dbraw/zinc/26/85/02/673268502.db2.gz	GGGLSDLEOGUOAR-INIZCTEOSA-N	1	1	365.271	2.384	20	30		FEEDMO
C=CCN1C(=S)N=NC1Cc1csc(NC(=O)C[N@H+](C)CCC)n1	ZINC000730275655	673268743	/nfs/dbraw/zinc/26/87/43/673268743.db2.gz	RDCLFNSGQBSIPH-UHFFFAOYSA-N	1	1	366.516	2.080	20	30		FEEDMO
C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(CC(=O)OCC)cs2)C1	ZINC000595661564	673279866	/nfs/dbraw/zinc/27/98/66/673279866.db2.gz	WXHDIGBDLLFOCF-CYBMUJFWSA-N	1	1	351.472	2.475	20	30		FEEDMO
C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2nc(CC(=O)OCC)cs2)C1	ZINC000595661564	673279871	/nfs/dbraw/zinc/27/98/71/673279871.db2.gz	WXHDIGBDLLFOCF-CYBMUJFWSA-N	1	1	351.472	2.475	20	30		FEEDMO
N#CC1(c2ccc(C[N@@H+]3CCC[C@H](N4CCCS4(=O)=O)C3)cc2)CC1	ZINC000597116916	673449449	/nfs/dbraw/zinc/44/94/49/673449449.db2.gz	RJJYZSCPEATOGD-SFHVURJKSA-N	1	1	359.495	2.242	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1)S(C)(=O)=O	ZINC000597126746	673450067	/nfs/dbraw/zinc/45/00/67/673450067.db2.gz	CHTQHKLNOHRMBS-KRWDZBQOSA-N	1	1	361.511	2.345	20	30		FEEDMO
C=C(CC)C[N@@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000539103226	673473403	/nfs/dbraw/zinc/47/34/03/673473403.db2.gz	AHHSMIWZSBWEQI-UHFFFAOYSA-N	1	1	366.483	2.120	20	30		FEEDMO
C=C(CC)C[N@H+]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000539103226	673473406	/nfs/dbraw/zinc/47/34/06/673473406.db2.gz	AHHSMIWZSBWEQI-UHFFFAOYSA-N	1	1	366.483	2.120	20	30		FEEDMO
CC[NH+]1CCN(c2ccc(C(=O)N3CCSC[C@@H]3C#N)cc2F)CC1	ZINC000540432000	673539222	/nfs/dbraw/zinc/53/92/22/673539222.db2.gz	SNTLKMCUAPTWDN-HNNXBMFYSA-N	1	1	362.474	2.049	20	30		FEEDMO
C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cscc2C#N)C1	ZINC000598502895	673576343	/nfs/dbraw/zinc/57/63/43/673576343.db2.gz	UFYWEIRXSQQEPR-KRWDZBQOSA-N	1	1	354.479	2.166	20	30		FEEDMO
C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cscc2C#N)C1	ZINC000598502895	673576346	/nfs/dbraw/zinc/57/63/46/673576346.db2.gz	UFYWEIRXSQQEPR-KRWDZBQOSA-N	1	1	354.479	2.166	20	30		FEEDMO
C=C(Cl)CNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1	ZINC000739089171	673628020	/nfs/dbraw/zinc/62/80/20/673628020.db2.gz	OPABZAUJVHITAZ-KBPBESRZSA-N	1	1	365.861	2.103	20	30		FEEDMO
C[NH+]1CCN(CC2CN(c3c(C#N)cnc4c(Cl)cccc43)C2)CC1	ZINC000599109910	673634081	/nfs/dbraw/zinc/63/40/81/673634081.db2.gz	XGHIHBFUFBFJFH-UHFFFAOYSA-N	1	1	355.873	2.443	20	30		FEEDMO
CC(C)C[N@@H+](CCC#N)CCOc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000739914644	673638539	/nfs/dbraw/zinc/63/85/39/673638539.db2.gz	MQTMVMQPUCKBFY-UHFFFAOYSA-N	1	1	353.488	2.187	20	30		FEEDMO
CC(C)C[N@H+](CCC#N)CCOc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000739914644	673638543	/nfs/dbraw/zinc/63/85/43/673638543.db2.gz	MQTMVMQPUCKBFY-UHFFFAOYSA-N	1	1	353.488	2.187	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599343733	673662091	/nfs/dbraw/zinc/66/20/91/673662091.db2.gz	TVJDDRQTEXNJNI-JKSUJKDBSA-N	1	1	352.475	2.254	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599343733	673662093	/nfs/dbraw/zinc/66/20/93/673662093.db2.gz	TVJDDRQTEXNJNI-JKSUJKDBSA-N	1	1	352.475	2.254	20	30		FEEDMO
COC(=O)[C@@]1(OC)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000599561279	673691673	/nfs/dbraw/zinc/69/16/73/673691673.db2.gz	AWZMZFPBFDUVFK-MRXNPFEDSA-N	1	1	357.328	2.201	20	30		FEEDMO
COC(=O)[C@@]1(OC)CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000599561279	673691676	/nfs/dbraw/zinc/69/16/76/673691676.db2.gz	AWZMZFPBFDUVFK-MRXNPFEDSA-N	1	1	357.328	2.201	20	30		FEEDMO
COC(=O)[C@]1(OC)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000599561278	673691844	/nfs/dbraw/zinc/69/18/44/673691844.db2.gz	AWZMZFPBFDUVFK-INIZCTEOSA-N	1	1	357.328	2.201	20	30		FEEDMO
COC(=O)[C@]1(OC)CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000599561278	673691848	/nfs/dbraw/zinc/69/18/48/673691848.db2.gz	AWZMZFPBFDUVFK-INIZCTEOSA-N	1	1	357.328	2.201	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)C2(C#N)CC3(CC3)C2)c2cccs2)CC1	ZINC000601163394	673830119	/nfs/dbraw/zinc/83/01/19/673830119.db2.gz	HRBBAZXICUBABT-OAHLLOKOSA-N	1	1	358.511	2.237	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)C2(C#N)CC3(CC3)C2)c2cccs2)CC1	ZINC000601163393	673830124	/nfs/dbraw/zinc/83/01/24/673830124.db2.gz	HRBBAZXICUBABT-HNNXBMFYSA-N	1	1	358.511	2.237	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)c1ccccc1CC#N)Cc1ccc(F)cc1	ZINC000601364500	673848756	/nfs/dbraw/zinc/84/87/56/673848756.db2.gz	HTCDZKXMMTXTOV-UHFFFAOYSA-N	1	1	361.442	2.302	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)c1ccccc1CC#N)Cc1ccc(F)cc1	ZINC000601364500	673848759	/nfs/dbraw/zinc/84/87/59/673848759.db2.gz	HTCDZKXMMTXTOV-UHFFFAOYSA-N	1	1	361.442	2.302	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C1	ZINC000547472578	673854615	/nfs/dbraw/zinc/85/46/15/673854615.db2.gz	DVZITMSPTRYJSW-QGZVFWFLSA-N	1	1	353.532	2.454	20	30		FEEDMO
C[N@@H+](CCCSCC#N)CCN1CCN(C(=O)OC(C)(C)C)CC1	ZINC000745942136	673857986	/nfs/dbraw/zinc/85/79/86/673857986.db2.gz	CUGSJIVMMAGTAR-UHFFFAOYSA-N	1	1	356.536	2.118	20	30		FEEDMO
CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cccc(C#N)n1	ZINC000602539513	673907724	/nfs/dbraw/zinc/90/77/24/673907724.db2.gz	HUUVCMIDXMDHBE-UHFFFAOYSA-N	1	1	358.467	2.071	20	30		FEEDMO
CC(C)[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000566393760	675210363	/nfs/dbraw/zinc/21/03/63/675210363.db2.gz	GAIWQELXBMEKRD-SJORKVTESA-N	1	1	360.527	2.435	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H](C)Oc1cccc(Br)c1	ZINC000818609117	675228387	/nfs/dbraw/zinc/22/83/87/675228387.db2.gz	LDEDMFGJAZZCLP-ZDUSSCGKSA-N	1	1	353.260	2.288	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCn1cc(Br)cn1	ZINC000567022073	675260720	/nfs/dbraw/zinc/26/07/20/675260720.db2.gz	NYQLFORVWAXOLL-DOMZBBRYSA-N	1	1	370.295	2.020	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCn1cc(Br)cn1	ZINC000567022073	675260721	/nfs/dbraw/zinc/26/07/21/675260721.db2.gz	NYQLFORVWAXOLL-DOMZBBRYSA-N	1	1	370.295	2.020	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819459700	675292148	/nfs/dbraw/zinc/29/21/48/675292148.db2.gz	ZWVXMBSLWOEZSY-RBSFLKMASA-N	1	1	352.479	2.125	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnc(OC)c(Br)c1	ZINC000820021661	675331030	/nfs/dbraw/zinc/33/10/30/675331030.db2.gz	UBQAWMRDOUNAMN-GFCCVEGCSA-N	1	1	353.216	2.107	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnc(OC)c(Br)c1	ZINC000820021661	675331032	/nfs/dbraw/zinc/33/10/32/675331032.db2.gz	UBQAWMRDOUNAMN-GFCCVEGCSA-N	1	1	353.216	2.107	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Cl)cc1F	ZINC000820751200	675385196	/nfs/dbraw/zinc/38/51/96/675385196.db2.gz	UVKGQNNGCAOWMO-PBHICJAKSA-N	1	1	367.852	2.299	20	30		FEEDMO
C#C[C@H](NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Cl)cc1F	ZINC000820755115	675385464	/nfs/dbraw/zinc/38/54/64/675385464.db2.gz	GXMZWLGMGYLIBZ-AHIWAGSCSA-N	1	1	367.852	2.250	20	30		FEEDMO
C[C@H](CNC(=O)C#Cc1cccs1)[NH+]1CCN(c2ccccc2)CC1	ZINC000825046092	675634907	/nfs/dbraw/zinc/63/49/07/675634907.db2.gz	QEQPTABCLPXQEQ-QGZVFWFLSA-N	1	1	353.491	2.427	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@@](F)(CO)C2)sc2c1CCCC2	ZINC000619815941	676396167	/nfs/dbraw/zinc/39/61/67/676396167.db2.gz	XEZDMNNXSMAUQP-KRWDZBQOSA-N	1	1	351.447	2.233	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@](F)(CO)C2)sc2c1CCCC2	ZINC000619815941	676396168	/nfs/dbraw/zinc/39/61/68/676396168.db2.gz	XEZDMNNXSMAUQP-KRWDZBQOSA-N	1	1	351.447	2.233	20	30		FEEDMO
C=CCOc1ccc(C[N@H+](C)CCN2CCCS2(=O)=O)cc1Cl	ZINC000678297850	679722653	/nfs/dbraw/zinc/72/26/53/679722653.db2.gz	PJLSUMBHBPMHIP-UHFFFAOYSA-N	1	1	358.891	2.372	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+](C)CCN2CCCS2(=O)=O)cc1Cl	ZINC000678297850	679722655	/nfs/dbraw/zinc/72/26/55/679722655.db2.gz	PJLSUMBHBPMHIP-UHFFFAOYSA-N	1	1	358.891	2.372	20	30		FEEDMO
C=CC[C@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1	ZINC000639349244	677158583	/nfs/dbraw/zinc/15/85/83/677158583.db2.gz	WMWCDHIFEVWROJ-NSHDSACASA-N	1	1	359.289	2.495	20	30		FEEDMO
Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC#Cc2cccc(Cl)c2)cn1	ZINC000639971722	677170379	/nfs/dbraw/zinc/17/03/79/677170379.db2.gz	GUSQBCPMEPOWEC-GOSISDBHSA-N	1	1	356.857	2.319	20	30		FEEDMO
Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC#Cc2cccc(Cl)c2)cn1	ZINC000639971722	677170380	/nfs/dbraw/zinc/17/03/80/677170380.db2.gz	GUSQBCPMEPOWEC-GOSISDBHSA-N	1	1	356.857	2.319	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)nn1	ZINC000644675324	677247720	/nfs/dbraw/zinc/24/77/20/677247720.db2.gz	HWRNNKLOUSLOIX-GFCCVEGCSA-N	1	1	357.241	2.300	20	30		FEEDMO
C[C@H]1CC(N=Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)C[N@H+]1C	ZINC000761813687	680732094	/nfs/dbraw/zinc/73/20/94/680732094.db2.gz	UJSDKUBPXFYPFZ-JTQLQIEISA-N	1	1	350.348	2.471	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCNC(=O)OC(C)(C)C	ZINC000839135015	680740754	/nfs/dbraw/zinc/74/07/54/680740754.db2.gz	ZCHRPWRFFUOWHU-CQSZACIVSA-N	1	1	352.479	2.174	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCNC(=O)OC(C)(C)C	ZINC000839135015	680740755	/nfs/dbraw/zinc/74/07/55/680740755.db2.gz	ZCHRPWRFFUOWHU-CQSZACIVSA-N	1	1	352.479	2.174	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc(C)ccc1F	ZINC000763346546	680780653	/nfs/dbraw/zinc/78/06/53/680780653.db2.gz	RKPHDFUVLJLMPG-UHFFFAOYSA-N	1	1	352.479	2.045	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(c3cc(C(F)(F)F)cnc3C#N)CC2)C1	ZINC000840264254	680810861	/nfs/dbraw/zinc/81/08/61/680810861.db2.gz	QEMUKUBAOJRODU-CQSZACIVSA-N	1	1	353.392	2.188	20	30		FEEDMO
CC(C)(C)NS(=O)(=O)c1ccccc1N=NC1CC[N@H+]2CCC[C@@H]12	ZINC000765572549	680846868	/nfs/dbraw/zinc/84/68/68/680846868.db2.gz	PRUDVEGHGJIBHG-HNNXBMFYSA-N	1	1	350.488	2.399	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000765942970	680860422	/nfs/dbraw/zinc/86/04/22/680860422.db2.gz	ULRPHHPPWTUGPI-QWHCGFSZSA-N	1	1	360.401	2.176	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)s1	ZINC001015243097	680046339	/nfs/dbraw/zinc/04/63/39/680046339.db2.gz	PJBIJOLJFHGARX-FHLIZLRMSA-N	1	1	359.495	2.373	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)s1	ZINC001015243097	680046344	/nfs/dbraw/zinc/04/63/44/680046344.db2.gz	PJBIJOLJFHGARX-FHLIZLRMSA-N	1	1	359.495	2.373	20	30		FEEDMO
C=C(C)[C@H](CO)[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2	ZINC000832031413	680079185	/nfs/dbraw/zinc/07/91/85/680079185.db2.gz	ZTIUUOFPCBWKBV-CVEARBPZSA-N	1	1	354.491	2.177	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc(F)c1C#N	ZINC000751499297	680183684	/nfs/dbraw/zinc/18/36/84/680183684.db2.gz	WYXLQTAOUSIYSB-MJBXVCDLSA-N	1	1	353.463	2.342	20	30		FEEDMO
C=CCCC[N@H+](C)CN1C[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C1=O	ZINC000751596550	680189177	/nfs/dbraw/zinc/18/91/77/680189177.db2.gz	ZBNQSEYEFVDFRZ-HNNXBMFYSA-N	1	1	352.479	2.199	20	30		FEEDMO
C#CC[NH+](CC#C)C[C@@H](O)COc1ccc(Cl)cc1Br	ZINC000752074324	680221768	/nfs/dbraw/zinc/22/17/68/680221768.db2.gz	AGIJICWNPTUSPR-CYBMUJFWSA-N	1	1	356.647	2.411	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000752169771	680226193	/nfs/dbraw/zinc/22/61/93/680226193.db2.gz	YXOVOIWFVFWOIF-LLVKDONJSA-N	1	1	365.484	2.293	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](C[C@@H](CC)OC)C2	ZINC000981776603	680250910	/nfs/dbraw/zinc/25/09/10/680250910.db2.gz	RTLIDBYFGIZYIF-KURKYZTESA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@H]2CCCCO2)CC1	ZINC000982135259	680270435	/nfs/dbraw/zinc/27/04/35/680270435.db2.gz	ZBCRYFJPTQLEKW-QYZOEREBSA-N	1	1	350.503	2.461	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CCOCC2)CC1	ZINC000982135017	680270455	/nfs/dbraw/zinc/27/04/55/680270455.db2.gz	NOGKZVDDWCXUSX-OALUTQOASA-N	1	1	350.503	2.319	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](C[C@H](OC)C2CCC2)CC1	ZINC000982173418	680272606	/nfs/dbraw/zinc/27/26/06/680272606.db2.gz	MOPZUPXVHVCHCV-FHWLQOOXSA-N	1	1	350.503	2.317	20	30		FEEDMO
CC(C)[N@@H+]1CC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)[C@H](C)C1	ZINC000754258384	680346026	/nfs/dbraw/zinc/34/60/26/680346026.db2.gz	MDWZFUYGUTWWJD-CYBMUJFWSA-N	1	1	367.519	2.286	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=C)Br)C1	ZINC001028548706	680373577	/nfs/dbraw/zinc/37/35/77/680373577.db2.gz	FFQFGEAMUISNKY-KFWWJZLASA-N	1	1	357.292	2.314	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=C)Br)C1	ZINC001028548706	680373582	/nfs/dbraw/zinc/37/35/82/680373582.db2.gz	FFQFGEAMUISNKY-KFWWJZLASA-N	1	1	357.292	2.314	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC000998065443	680373660	/nfs/dbraw/zinc/37/36/60/680373660.db2.gz	GPJGXUAYJXDCFW-XWTMOSNGSA-N	1	1	370.921	2.493	20	30		FEEDMO
O=C(NC[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@]12C[C@H]1COC2	ZINC001028553594	680376685	/nfs/dbraw/zinc/37/66/85/680376685.db2.gz	JYNSWRCUZDNEHK-UWVAXJGDSA-N	1	1	358.869	2.166	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](CCC2CCOCC2)C1	ZINC001033960774	680429578	/nfs/dbraw/zinc/42/95/78/680429578.db2.gz	INOHZINFVHPXQC-OTWHNJEPSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH2+]Cc2cnns2)cc1	ZINC001034828039	680440610	/nfs/dbraw/zinc/44/06/10/680440610.db2.gz	GCTPSDJKYZXVQG-SJORKVTESA-N	1	1	358.467	2.035	20	30		FEEDMO
C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1	ZINC001035450269	680447062	/nfs/dbraw/zinc/44/70/62/680447062.db2.gz	OZBMTABSGZDUAV-HYVNUMGLSA-N	1	1	350.409	2.461	20	30		FEEDMO
C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1	ZINC001035450269	680447064	/nfs/dbraw/zinc/44/70/64/680447064.db2.gz	OZBMTABSGZDUAV-HYVNUMGLSA-N	1	1	350.409	2.461	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CCCCC2)CCO1	ZINC001035515379	680449192	/nfs/dbraw/zinc/44/91/92/680449192.db2.gz	FSSQTFHBPFBZTO-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)COc1ccc(Br)cc1	ZINC000756545943	680484365	/nfs/dbraw/zinc/48/43/65/680484365.db2.gz	XIUGRVOOWBQGOU-CQSZACIVSA-N	1	1	352.228	2.469	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3cc(C)ns3)C2)C1	ZINC001041696134	680508878	/nfs/dbraw/zinc/50/88/78/680508878.db2.gz	KZDVUMJPKZZNQM-AOIWGVFYSA-N	1	1	361.511	2.467	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCc1ccc(S(=O)(=O)CC)cc1	ZINC000757436041	680524058	/nfs/dbraw/zinc/52/40/58/680524058.db2.gz	WXLXNKGCWRMHAP-QGZVFWFLSA-N	1	1	363.479	2.054	20	30		FEEDMO
C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C	ZINC001042426525	680530624	/nfs/dbraw/zinc/53/06/24/680530624.db2.gz	VOEJZOVGSBOSLU-UTUOFQBUSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(OC)ns2)CC1	ZINC001003779333	680541958	/nfs/dbraw/zinc/54/19/58/680541958.db2.gz	DZRODTLGADKZES-RDJZCZTQSA-N	1	1	365.499	2.214	20	30		FEEDMO
C#Cc1ccc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)nc1	ZINC000758101013	680555656	/nfs/dbraw/zinc/55/56/56/680555656.db2.gz	NRLFYSZQIJJMKI-GOSISDBHSA-N	1	1	351.475	2.410	20	30		FEEDMO
C#Cc1ccc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)nc1	ZINC000758101013	680555658	/nfs/dbraw/zinc/55/56/58/680555658.db2.gz	NRLFYSZQIJJMKI-GOSISDBHSA-N	1	1	351.475	2.410	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)CC1	ZINC001004442519	680556384	/nfs/dbraw/zinc/55/63/84/680556384.db2.gz	MWKNAKCCVXAISG-KBRIMQKVSA-N	1	1	367.921	2.357	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1Nc1snc(Cl)c1C#N	ZINC001043095261	680560305	/nfs/dbraw/zinc/56/03/05/680560305.db2.gz	LGYHOVCMKRRVGI-JLLWLGSASA-N	1	1	353.879	2.021	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2C#N)C1	ZINC001043219914	680567239	/nfs/dbraw/zinc/56/72/39/680567239.db2.gz	WTEXSWWCTLRZNZ-WQVCFCJDSA-N	1	1	361.515	2.456	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@@H](O)C2CCCCC2)C1	ZINC001044039105	680607187	/nfs/dbraw/zinc/60/71/87/680607187.db2.gz	RZURQWZJZCSPQR-OTWHNJEPSA-N	1	1	350.503	2.051	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](Cc2cc(OC)ns2)C1	ZINC001046327066	680645621	/nfs/dbraw/zinc/64/56/21/680645621.db2.gz	FSCBSRMXTFUAPG-RVKKMQEKSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](Cc2cc(OC)ns2)C1	ZINC001046327066	680645626	/nfs/dbraw/zinc/64/56/26/680645626.db2.gz	FSCBSRMXTFUAPG-RVKKMQEKSA-N	1	1	365.499	2.214	20	30		FEEDMO
C#C[C@@H](C)[N@@H+](C)Cn1ncc2c1ccc(Br)c2C(=O)OC	ZINC000766665944	680884024	/nfs/dbraw/zinc/88/40/24/680884024.db2.gz	KWBBFHKRMUUGMO-SNVBAGLBSA-N	1	1	350.216	2.496	20	30		FEEDMO
C#C[C@@H](C)[N@H+](C)Cn1ncc2c1ccc(Br)c2C(=O)OC	ZINC000766665944	680884026	/nfs/dbraw/zinc/88/40/26/680884026.db2.gz	KWBBFHKRMUUGMO-SNVBAGLBSA-N	1	1	350.216	2.496	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1nnc(-c2c(F)cccc2F)s1	ZINC000841711367	680908593	/nfs/dbraw/zinc/90/85/93/680908593.db2.gz	AEQNLIRLXKOMLX-UHFFFAOYSA-N	1	1	350.394	2.168	20	30		FEEDMO
C[C@H]1C(=NNC(=S)NCCC[NH+]2CCOCC2)C[C@H]1c1ccccc1	ZINC000767755943	680925157	/nfs/dbraw/zinc/92/51/57/680925157.db2.gz	WTJCNLTXDMSISB-NVXWUHKLSA-N	1	1	360.527	2.352	20	30		FEEDMO
C#C[C@H](C)[N@H+](C)CC(=O)N(C)CCOc1ccc(Br)cc1	ZINC000769962328	681001709	/nfs/dbraw/zinc/00/17/09/681001709.db2.gz	XKBGCFARDCWIJW-ZDUSSCGKSA-N	1	1	353.260	2.240	20	30		FEEDMO
C#C[C@H](C)[N@@H+](C)CC(=O)N(C)CCOc1ccc(Br)cc1	ZINC000769962328	681001710	/nfs/dbraw/zinc/00/17/10/681001710.db2.gz	XKBGCFARDCWIJW-ZDUSSCGKSA-N	1	1	353.260	2.240	20	30		FEEDMO
C#C[C@H](C)[N@H+](C)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000769960992	681001770	/nfs/dbraw/zinc/00/17/70/681001770.db2.gz	KCXMVFSAMDMFTL-AWEZNQCLSA-N	1	1	353.388	2.308	20	30		FEEDMO
C#C[C@H](C)[N@@H+](C)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000769960992	681001772	/nfs/dbraw/zinc/00/17/72/681001772.db2.gz	KCXMVFSAMDMFTL-AWEZNQCLSA-N	1	1	353.388	2.308	20	30		FEEDMO
Cc1nsc(N2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C)c1C#N	ZINC001051005539	681059873	/nfs/dbraw/zinc/05/98/73/681059873.db2.gz	NNYYYIWMNNRAMG-HIFRSBDPSA-N	1	1	361.515	2.139	20	30		FEEDMO
C=C(Br)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1	ZINC001052393099	681076875	/nfs/dbraw/zinc/07/68/75/681076875.db2.gz	DVSDUEOECKPKNJ-RBSFLKMASA-N	1	1	358.324	2.206	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cnns2)CC1	ZINC001052778930	681086221	/nfs/dbraw/zinc/08/62/21/681086221.db2.gz	UDKXCAYZWZJOKD-PVAVHDDUSA-N	1	1	364.515	2.380	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2cnns2)CC1	ZINC001052778930	681086224	/nfs/dbraw/zinc/08/62/24/681086224.db2.gz	UDKXCAYZWZJOKD-PVAVHDDUSA-N	1	1	364.515	2.380	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](Nc3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001056801777	681156538	/nfs/dbraw/zinc/15/65/38/681156538.db2.gz	JKUHKHOUAWYCGV-GMTAPVOTSA-N	1	1	353.879	2.021	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@H+]1C	ZINC001059444381	681180834	/nfs/dbraw/zinc/18/08/34/681180834.db2.gz	XLZQWNBIYQKDPM-RZLSGREXSA-N	1	1	361.877	2.396	20	30		FEEDMO
C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1	ZINC000846100834	681183170	/nfs/dbraw/zinc/18/31/70/681183170.db2.gz	AMMFXWPFLARVFR-HKUYNNGSSA-N	1	1	359.539	2.434	20	30		FEEDMO
CCOC(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000932650200	681276584	/nfs/dbraw/zinc/27/65/84/681276584.db2.gz	UDHBBFAEFZXASE-CQSZACIVSA-N	1	1	363.845	2.472	20	30		FEEDMO
CCOC(=O)[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000932650200	681276586	/nfs/dbraw/zinc/27/65/86/681276586.db2.gz	UDHBBFAEFZXASE-CQSZACIVSA-N	1	1	363.845	2.472	20	30		FEEDMO
CN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O	ZINC000932944534	681332534	/nfs/dbraw/zinc/33/25/34/681332534.db2.gz	WSGSYMHIIBGIFL-RNJXMRFFSA-N	1	1	366.252	2.320	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1ccc(Br)c(C)c1)[C@@H]1CCCO1	ZINC000775786662	681335292	/nfs/dbraw/zinc/33/52/92/681335292.db2.gz	ZJUJXEPUQSRZIK-GJZGRUSLSA-N	1	1	351.244	2.466	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000847372341	681369473	/nfs/dbraw/zinc/36/94/73/681369473.db2.gz	IXKWWUVSWZHGEZ-GJZGRUSLSA-N	1	1	352.479	2.032	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@@H+]1C	ZINC000847525243	681390600	/nfs/dbraw/zinc/39/06/00/681390600.db2.gz	JNDPNTMBSMBLHN-HUUCEWRRSA-N	1	1	352.479	2.126	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@H+]1C	ZINC000847525243	681390605	/nfs/dbraw/zinc/39/06/05/681390605.db2.gz	JNDPNTMBSMBLHN-HUUCEWRRSA-N	1	1	352.479	2.126	20	30		FEEDMO
C=C(C)CC[N@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1	ZINC000776838186	681439530	/nfs/dbraw/zinc/43/95/30/681439530.db2.gz	YCXBPRPEJAQGOA-MRXNPFEDSA-N	1	1	351.491	2.496	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2C2OCCO2)sc2c1CCC2	ZINC000933901587	681481000	/nfs/dbraw/zinc/48/10/00/681481000.db2.gz	FXXFKPCBFKBIBO-AWEZNQCLSA-N	1	1	361.467	2.274	20	30		FEEDMO
N#Cc1cc(Br)ccc1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000934270372	681540730	/nfs/dbraw/zinc/54/07/30/681540730.db2.gz	UXIZWXSJXLSBAR-IAGOWNOFSA-N	1	1	364.287	2.352	20	30		FEEDMO
C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000934467512	681574847	/nfs/dbraw/zinc/57/48/47/681574847.db2.gz	RKHUOWVFZOWOCM-HOCLYGCPSA-N	1	1	365.499	2.351	20	30		FEEDMO
C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000934467512	681574852	/nfs/dbraw/zinc/57/48/52/681574852.db2.gz	RKHUOWVFZOWOCM-HOCLYGCPSA-N	1	1	365.499	2.351	20	30		FEEDMO
C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000934472594	681575360	/nfs/dbraw/zinc/57/53/60/681575360.db2.gz	OJBIQAYIPKLSKH-WDEREUQCSA-N	1	1	355.360	2.198	20	30		FEEDMO
C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000934472594	681575362	/nfs/dbraw/zinc/57/53/62/681575362.db2.gz	OJBIQAYIPKLSKH-WDEREUQCSA-N	1	1	355.360	2.198	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](CC(C)C)CCO2	ZINC000949370588	681635503	/nfs/dbraw/zinc/63/55/03/681635503.db2.gz	ZSMWUFISCNWOAT-MSOLQXFVSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCO[C@H]3C(C)C)CC2)C1	ZINC000949370329	681635579	/nfs/dbraw/zinc/63/55/79/681635579.db2.gz	PPDJRPPUMBYPHC-ROUUACIJSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCO[C@H]3C(C)C)CC2)C1	ZINC000949370329	681635583	/nfs/dbraw/zinc/63/55/83/681635583.db2.gz	PPDJRPPUMBYPHC-ROUUACIJSA-N	1	1	350.503	2.317	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1	ZINC000934836980	681645909	/nfs/dbraw/zinc/64/59/09/681645909.db2.gz	GZHBEOGRZDNVSP-ROUUACIJSA-N	1	1	362.495	2.471	20	30		FEEDMO
C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)Cc2csc(C#N)c2)C1	ZINC000914085825	685493936	/nfs/dbraw/zinc/49/39/36/685493936.db2.gz	SXKSCLOOMLHIEQ-HNNXBMFYSA-N	1	1	361.492	2.442	20	30		FEEDMO
Fc1cccc(C2CC(=NNC(=S)NCCC[NH+]3CCOCC3)C2)c1	ZINC000781579701	681950024	/nfs/dbraw/zinc/95/00/24/681950024.db2.gz	YCYRDDRJTOQXRA-UHFFFAOYSA-N	1	1	364.490	2.246	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C(=O)OC)c2ccccc2Br)CC1	ZINC000851872513	682171944	/nfs/dbraw/zinc/17/19/44/682171944.db2.gz	FYOMYBMTQANFLK-MRXNPFEDSA-N	1	1	365.271	2.304	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(COC(=O)N2)CC1	ZINC000784456676	682228418	/nfs/dbraw/zinc/22/84/18/682228418.db2.gz	ABTASQRHYXIEHI-LLVKDONJSA-N	1	1	362.817	2.113	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCn2cc(Cl)cn2)C1	ZINC000971558671	682359288	/nfs/dbraw/zinc/35/92/88/682359288.db2.gz	DGYUDERPPDNBHL-ZACQAIPSSA-N	1	1	366.893	2.050	20	30		FEEDMO
C=C(Br)CN(C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC000971567586	682360805	/nfs/dbraw/zinc/36/08/05/682360805.db2.gz	RFPQXVPQPHPZMO-SOUVJXGZSA-N	1	1	358.324	2.158	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)OCCN1CC[NH+](Cc2ccsc2)CC1	ZINC000786430144	682374249	/nfs/dbraw/zinc/37/42/49/682374249.db2.gz	GBCXIAACHJUFBF-QZTJIDSGSA-N	1	1	364.511	2.390	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]21	ZINC000972339408	682407521	/nfs/dbraw/zinc/40/75/21/682407521.db2.gz	FBYUJVLESWWMPF-FVQBIDKESA-N	1	1	367.921	2.166	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]21	ZINC000972340445	682408088	/nfs/dbraw/zinc/40/80/88/682408088.db2.gz	VVJNJYLOPHSUAB-ARFHVFGLSA-N	1	1	367.921	2.166	20	30		FEEDMO
CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C)C1	ZINC000855360507	682661533	/nfs/dbraw/zinc/66/15/33/682661533.db2.gz	GMVAFXFOPCDWAI-CABCVRRESA-N	1	1	352.479	2.126	20	30		FEEDMO
C=CCn1c(C2CC2)nn(CN2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1=S	ZINC000795700534	683082460	/nfs/dbraw/zinc/08/24/60/683082460.db2.gz	NEFJHXLNGLHZQQ-GDBMZVCRSA-N	1	1	363.531	2.230	20	30		FEEDMO
CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C2	ZINC000926159104	683085076	/nfs/dbraw/zinc/08/50/76/683085076.db2.gz	HURNQFMGODJKAJ-VXIBKDFQSA-N	1	1	361.873	2.421	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859328185	683085342	/nfs/dbraw/zinc/08/53/42/683085342.db2.gz	AVNONCCSVHFJQZ-YJBOKZPZSA-N	1	1	352.475	2.111	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCC1CN(C(=O)OC(C)(C)C)C1	ZINC000860529616	683256302	/nfs/dbraw/zinc/25/63/02/683256302.db2.gz	JPGGDCHHLDGATL-MRXNPFEDSA-N	1	1	350.459	2.274	20	30		FEEDMO
CC(CCc1cccc(C)c1)=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000920363323	683337055	/nfs/dbraw/zinc/33/70/55/683337055.db2.gz	YIBRITJYJZOUEC-UHFFFAOYSA-N	1	1	362.543	2.490	20	30		FEEDMO
CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1	ZINC000861354453	683397031	/nfs/dbraw/zinc/39/70/31/683397031.db2.gz	VRDNVYBCULYDKB-SWLSCSKDSA-N	1	1	357.332	2.238	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)C1=O	ZINC000799120037	683424663	/nfs/dbraw/zinc/42/46/63/683424663.db2.gz	RZDVEGCROYFKPH-JKSUJKDBSA-N	1	1	351.491	2.352	20	30		FEEDMO
CCOc1cccc(C=NNCCC[NH+]2CCOCC2)c1OC(F)F	ZINC000799488879	683460128	/nfs/dbraw/zinc/46/01/28/683460128.db2.gz	KPIGFGLJYNAIGX-UHFFFAOYSA-N	1	1	357.401	2.333	20	30		FEEDMO
N#Cc1cc(C[NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)cs1	ZINC000921684563	683543150	/nfs/dbraw/zinc/54/31/50/683543150.db2.gz	VURKOPYOHRUBFM-UHFFFAOYSA-N	1	1	355.467	2.006	20	30		FEEDMO
C[C@H](C[NH2+]Cc1cc(C#N)ccc1Br)N1CCN(C)CC1	ZINC000921690010	683543976	/nfs/dbraw/zinc/54/39/76/683543976.db2.gz	NUTXSJSQHMOKPQ-CYBMUJFWSA-N	1	1	351.292	2.046	20	30		FEEDMO
C=CC1(CC(=O)NC[C@H]2CC[N@H+](CC)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000930369848	683720030	/nfs/dbraw/zinc/72/00/30/683720030.db2.gz	YRSKAIOMVJYYRG-OAHLLOKOSA-N	1	1	351.491	2.258	20	30		FEEDMO
C[C@H](CC#N)[NH2+]C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000930866100	683794907	/nfs/dbraw/zinc/79/49/07/683794907.db2.gz	BCNVSEMULMSDSY-IAQYHMDHSA-N	1	1	355.360	2.059	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](C[C@H](O)CC#N)CC[C@@H]1C(F)(F)F	ZINC000931177187	683846716	/nfs/dbraw/zinc/84/67/16/683846716.db2.gz	VCHBAWJFIBAWDQ-UPJWGTAASA-N	1	1	365.396	2.286	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)CC#N)CC[C@@H]1C(F)(F)F	ZINC000931177187	683846718	/nfs/dbraw/zinc/84/67/18/683846718.db2.gz	VCHBAWJFIBAWDQ-UPJWGTAASA-N	1	1	365.396	2.286	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)CC1	ZINC000865084444	683933349	/nfs/dbraw/zinc/93/33/49/683933349.db2.gz	AUJKGCUARVYJSA-UHFFFAOYSA-N	1	1	359.417	2.348	20	30		FEEDMO
C=C(Cl)C[C@@H]1NC(=O)N(C[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1=O	ZINC000865313062	683966835	/nfs/dbraw/zinc/96/68/35/683966835.db2.gz	WIMACPCIASQBHB-ZBFHGGJFSA-N	1	1	363.845	2.333	20	30		FEEDMO
C=C(Cl)C[C@@H]1NC(=O)N(C[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1=O	ZINC000865313062	683966837	/nfs/dbraw/zinc/96/68/37/683966837.db2.gz	WIMACPCIASQBHB-ZBFHGGJFSA-N	1	1	363.845	2.333	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(CC(=O)N(CCC#N)c3cccc(Cl)c3)C[C@@H]2C1	ZINC000931432656	684282338	/nfs/dbraw/zinc/28/23/38/684282338.db2.gz	YUVJBAPWXXHZRW-CVEARBPZSA-N	1	1	360.889	2.470	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)CCSc2ccc(OC)c(OC)c2)C1	ZINC000923576978	684307938	/nfs/dbraw/zinc/30/79/38/684307938.db2.gz	NFLWRUJHVPJKRP-HNNXBMFYSA-N	1	1	362.495	2.400	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)CCSc2ccc(OC)c(OC)c2)C1	ZINC000923576978	684307942	/nfs/dbraw/zinc/30/79/42/684307942.db2.gz	NFLWRUJHVPJKRP-HNNXBMFYSA-N	1	1	362.495	2.400	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(F)c(OC)c(F)c2OC)C1	ZINC000931654839	684321195	/nfs/dbraw/zinc/32/11/95/684321195.db2.gz	HIKSLXCFGGYPNX-NSHDSACASA-N	1	1	353.369	2.201	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(F)c(OC)c(F)c2OC)C1	ZINC000931654839	684321200	/nfs/dbraw/zinc/32/12/00/684321200.db2.gz	HIKSLXCFGGYPNX-NSHDSACASA-N	1	1	353.369	2.201	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CCOCC1	ZINC000931908764	684368369	/nfs/dbraw/zinc/36/83/69/684368369.db2.gz	BWAVUCBSYVBIFW-JSGCOSHPSA-N	1	1	350.356	2.424	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(CC[NH+](C)C)CC(C)C)c1	ZINC000932030393	684394902	/nfs/dbraw/zinc/39/49/02/684394902.db2.gz	CHEBYBMQSHAZBC-UHFFFAOYSA-N	1	1	364.511	2.143	20	30		FEEDMO
C=CCCC[C@@H]1NC(=O)N([C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)C1=O	ZINC000924630982	684475887	/nfs/dbraw/zinc/47/58/87/684475887.db2.gz	CKWYCEVTEOGDMW-YESZJQIVSA-N	1	1	351.491	2.400	20	30		FEEDMO
C=CC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCCc2cccs2)CC1	ZINC000878219682	686544004	/nfs/dbraw/zinc/54/40/04/686544004.db2.gz	PKCSHEWWRXGRHH-INIZCTEOSA-N	1	1	350.484	2.237	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC([C@H](F)C(N)=O)CC1	ZINC000879043544	686723175	/nfs/dbraw/zinc/72/31/75/686723175.db2.gz	DWUZSMWSCKXKRH-CJNGLKHVSA-N	1	1	367.490	2.187	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21	ZINC000879575784	686860655	/nfs/dbraw/zinc/86/06/55/686860655.db2.gz	OWORMDYGUMGIBS-XJKSGUPXSA-N	1	1	358.511	2.463	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)CC[C@@H]21	ZINC000879576337	686861403	/nfs/dbraw/zinc/86/14/03/686861403.db2.gz	BLYQCJFVIFVDDR-FMKPAKJESA-N	1	1	354.479	2.499	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(C#N)c(F)cc1F	ZINC000880713699	687077962	/nfs/dbraw/zinc/07/79/62/687077962.db2.gz	VLPMXMQTJLWHGQ-LLVKDONJSA-N	1	1	352.385	2.145	20	30		FEEDMO
C=CCCc1ccc(S(=O)(=O)N2CC[NH+](C3CCOCC3)CC2)cc1	ZINC000881962294	687271623	/nfs/dbraw/zinc/27/16/23/687271623.db2.gz	XPBGADRNXFDQKP-UHFFFAOYSA-N	1	1	364.511	2.291	20	30		FEEDMO
C#CC[N@H+](C[C@H](O)CCOCC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426186	688253499	/nfs/dbraw/zinc/25/34/99/688253499.db2.gz	MDVIRVKVHZHVET-QGZVFWFLSA-N	1	1	354.491	2.109	20	30		FEEDMO
C#CC[N@H+](CCC(=O)N(C)CC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427427	688253914	/nfs/dbraw/zinc/25/39/14/688253914.db2.gz	JZIXBNMUJBVCCG-UHFFFAOYSA-N	1	1	351.491	2.190	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)Nc2nc(Cl)c(C#N)s2)CC1	ZINC000888406858	688605608	/nfs/dbraw/zinc/60/56/08/688605608.db2.gz	KOYRCUCZRXTBFJ-UHFFFAOYSA-N	1	1	370.910	2.207	20	30		FEEDMO
C=CCC1(O)CCN(C(=O)NCC[N@H+](CC)CCC(F)(F)F)CC1	ZINC000888874073	688688555	/nfs/dbraw/zinc/68/85/55/688688555.db2.gz	BNIPPSZYGYYGFW-UHFFFAOYSA-N	1	1	351.413	2.373	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)N(C)Cc2cc(C#N)cs2)CC1	ZINC000893239157	689319217	/nfs/dbraw/zinc/31/92/17/689319217.db2.gz	SJNFSOPFLHMIPN-OAHLLOKOSA-N	1	1	363.531	2.035	20	30		FEEDMO
O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCCN1O	ZINC000895166048	689670540	/nfs/dbraw/zinc/67/05/40/689670540.db2.gz	OQYLEHATIVGOBJ-GJZGRUSLSA-N	1	1	354.834	2.368	20	30		FEEDMO
CCc1c(C)[nH+]c2ccccc2c1N1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1	ZINC000896609798	689905808	/nfs/dbraw/zinc/90/58/08/689905808.db2.gz	JEHIVLGNYQCHKO-AUUYWEPGSA-N	1	1	355.463	2.480	20	30		FEEDMO
C[N@H+]1CCC[C@@](O)(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000900071071	690469045	/nfs/dbraw/zinc/46/90/45/690469045.db2.gz	HLPBBTJZIBUOFN-QGZVFWFLSA-N	1	1	354.372	2.020	20	30		FEEDMO
N#C[C@@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1cccc(Cl)c1Cl	ZINC000900631608	690540888	/nfs/dbraw/zinc/54/08/88/690540888.db2.gz	AJCOXABUTUSYRF-SMDDNHRTSA-N	1	1	354.237	2.395	20	30		FEEDMO
N#C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1cccc(C(F)(F)F)c1	ZINC000900642023	690542381	/nfs/dbraw/zinc/54/23/81/690542381.db2.gz	CWXKURUAFMZCJW-GJZGRUSLSA-N	1	1	353.344	2.107	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2nccc3c2CCCC3)cc1	ZINC000905516358	691130314	/nfs/dbraw/zinc/13/03/14/691130314.db2.gz	MFCBZRQOZJUNJB-UHFFFAOYSA-N	1	1	355.463	2.396	20	30		FEEDMO
CN1CC[N@@H+](C)CC(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)C1	ZINC000906626200	691293919	/nfs/dbraw/zinc/29/39/19/691293919.db2.gz	WMTKYYDOZKTFJF-CQSZACIVSA-N	1	1	355.269	2.168	20	30		FEEDMO
CSc1nc(-c2ccccc2)nc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1C#N	ZINC001164671519	719408440	/nfs/dbraw/zinc/40/84/40/719408440.db2.gz	PWRWXVSCUFWGOS-HZPDHXFCSA-N	1	1	367.478	2.256	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc(Cl)c1C#N)C2	ZINC001164807941	720086909	/nfs/dbraw/zinc/08/69/09/720086909.db2.gz	GPUSQBUDROKSNE-KBXCAEBGSA-N	1	1	361.877	2.186	20	30		FEEDMO
CCc1nc(C#N)c(C#N)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164724807	720473779	/nfs/dbraw/zinc/47/37/79/720473779.db2.gz	HVLJDZZRCGMRBC-OALUTQOASA-N	1	1	359.437	2.031	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc(Cl)c4C#N)C[C@@H]3C2)cn1	ZINC001164762819	721096261	/nfs/dbraw/zinc/09/62/61/721096261.db2.gz	FIEFEWZCECTACI-GJZGRUSLSA-N	1	1	356.861	2.298	20	30		FEEDMO
N#Cc1c[nH]c2nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)ccc12	ZINC001164790967	721414157	/nfs/dbraw/zinc/41/41/57/721414157.db2.gz	YORUJQDWUJIJHT-ZIAGYGMSSA-N	1	1	350.451	2.459	20	30		FEEDMO
N#Cc1cc(Cl)nnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164900138	721521964	/nfs/dbraw/zinc/52/19/64/721521964.db2.gz	OKJFWLDZFXKQOB-ZBFHGGJFSA-N	1	1	373.819	2.483	20	30		FEEDMO
Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)n1	ZINC001164903823	721549309	/nfs/dbraw/zinc/54/93/09/721549309.db2.gz	DCBPLXZOWGHIQH-DOTOQJQBSA-N	1	1	353.401	2.138	20	30		FEEDMO
N#Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCOc3ccccc3)CC2)n1	ZINC001165043811	721956090	/nfs/dbraw/zinc/95/60/90/721956090.db2.gz	CUAFZMWHGRHYQB-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
CSc1nc(Cl)c(C#N)c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1	ZINC001164966089	722066757	/nfs/dbraw/zinc/06/67/57/722066757.db2.gz	WBLUZFREBDGYEG-TXEJJXNPSA-N	1	1	365.890	2.023	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)nn1	ZINC000819382937	675286953	/nfs/dbraw/zinc/28/69/53/675286953.db2.gz	SNZSTLBODHCWEF-OAHLLOKOSA-N	1	1	369.238	2.363	20	30		FEEDMO
CCNC(=O)C[N@@H+](CC)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000007919667	539470787	/nfs/dbraw/zinc/47/07/87/539470787.db2.gz	CTBMEFPRTTVZNC-UHFFFAOYSA-N	1	1	362.499	2.285	20	30		FEEDMO
C=CCc1cc(C(=O)N=c2ccn(CC[NH+](C)C)[nH]2)cc(OC)c1OC	ZINC000523061831	539597136	/nfs/dbraw/zinc/59/71/36/539597136.db2.gz	COQHOHHBKRDCRG-UHFFFAOYSA-N	1	1	358.442	2.443	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1	ZINC000027237283	539802920	/nfs/dbraw/zinc/80/29/20/539802920.db2.gz	NEJAHTKMFGNEBQ-UHFFFAOYSA-N	1	1	359.426	2.172	20	30		FEEDMO
Cn1ccnc1[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000028656737	539835307	/nfs/dbraw/zinc/83/53/07/539835307.db2.gz	UFTNSLWYUJUCDW-AZUAARDMSA-N	1	1	362.433	2.411	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)Nc2cccc(C#N)c2)C1	ZINC000041791657	540033717	/nfs/dbraw/zinc/03/37/17/540033717.db2.gz	GHUWEBVNWWLXSZ-IYBDPMFKSA-N	1	1	356.470	2.371	20	30		FEEDMO
CCCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000042685628	540073643	/nfs/dbraw/zinc/07/36/43/540073643.db2.gz	RNRJTTGFFKKFRP-UHFFFAOYSA-N	1	1	362.861	2.388	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC3(CC2)OCCO3)cc1	ZINC000045750481	540225035	/nfs/dbraw/zinc/22/50/35/540225035.db2.gz	CPGROPIRMGWRPN-KRWDZBQOSA-N	1	1	357.454	2.469	20	30		FEEDMO
CN(CCC#N)S(=O)(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000045797745	540228561	/nfs/dbraw/zinc/22/85/61/540228561.db2.gz	JQMWVRQBNFEKLS-INIZCTEOSA-N	1	1	370.906	2.157	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1	ZINC000550470474	674097927	/nfs/dbraw/zinc/09/79/27/674097927.db2.gz	JKEKWIFLEYLDHF-GFCCVEGCSA-N	1	1	362.499	2.314	20	30		FEEDMO
Cc1csc(N2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)n1	ZINC000047890890	540332850	/nfs/dbraw/zinc/33/28/50/540332850.db2.gz	CPRRNYSPRNWERE-KRWDZBQOSA-N	1	1	372.494	2.080	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2OC)N2CCCC2)CC1	ZINC000050024297	540397339	/nfs/dbraw/zinc/39/73/39/540397339.db2.gz	BSPLMPAIFWMTAW-FQEVSTJZSA-N	1	1	369.509	2.294	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1	ZINC000051050229	540420259	/nfs/dbraw/zinc/42/02/59/540420259.db2.gz	VUKZZRAMCUBYQF-ULQDDVLXSA-N	1	1	350.507	2.011	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000051062917	540422103	/nfs/dbraw/zinc/42/21/03/540422103.db2.gz	VDUSDALLVLEEHD-FCEWJHQRSA-N	1	1	350.507	2.058	20	30		FEEDMO
CC(=O)NCC1CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1	ZINC000052848968	540493276	/nfs/dbraw/zinc/49/32/76/540493276.db2.gz	ZCURDYSYUUFXCG-UHFFFAOYSA-N	1	1	370.497	2.398	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCNC(=O)CC2)sc2c1CCCCC2	ZINC000054257811	540578480	/nfs/dbraw/zinc/57/84/80/540578480.db2.gz	PXWLSYGWHULNHG-UHFFFAOYSA-N	1	1	360.483	2.039	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCNC(=O)CC2)sc2c1CCCCC2	ZINC000054257811	540578484	/nfs/dbraw/zinc/57/84/84/540578484.db2.gz	PXWLSYGWHULNHG-UHFFFAOYSA-N	1	1	360.483	2.039	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1	ZINC000056597675	540735736	/nfs/dbraw/zinc/73/57/36/540735736.db2.gz	GZGJOVVYPRCUQP-KRWDZBQOSA-N	1	1	360.458	2.435	20	30		FEEDMO
CC[C@H](C)[C@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)C(=O)OC	ZINC000058397221	540841780	/nfs/dbraw/zinc/84/17/80/540841780.db2.gz	PLLRDTINEWTEBP-KXBFYZLASA-N	1	1	359.470	2.473	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H]2CO)c1C#N	ZINC000063512664	541172235	/nfs/dbraw/zinc/17/22/35/541172235.db2.gz	XUNWSMGRJAIQRX-OAHLLOKOSA-N	1	1	356.426	2.013	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@@H]2CO)c1C#N	ZINC000063512664	541172238	/nfs/dbraw/zinc/17/22/38/541172238.db2.gz	XUNWSMGRJAIQRX-OAHLLOKOSA-N	1	1	356.426	2.013	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1	ZINC000063823530	541187676	/nfs/dbraw/zinc/18/76/76/541187676.db2.gz	ABPLBKHQDCPTQM-UHFFFAOYSA-N	1	1	364.449	2.444	20	30		FEEDMO
CC(C)N(C(=O)[C@@H](C)[N@H+]1CCCN(c2ncccc2C#N)CC1)C(C)C	ZINC000064633310	541213056	/nfs/dbraw/zinc/21/30/56/541213056.db2.gz	JJDRRAJDDATLDR-QGZVFWFLSA-N	1	1	357.502	2.499	20	30		FEEDMO
C[C@@H](NC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1)c1ccccc1	ZINC000064634430	541214176	/nfs/dbraw/zinc/21/41/76/541214176.db2.gz	AGQZYZRLZAOSPY-QGZVFWFLSA-N	1	1	363.465	2.343	20	30		FEEDMO
C[C@@H](NC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1)c1ccccc1	ZINC000064634430	541214178	/nfs/dbraw/zinc/21/41/78/541214178.db2.gz	AGQZYZRLZAOSPY-QGZVFWFLSA-N	1	1	363.465	2.343	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000066833204	541377550	/nfs/dbraw/zinc/37/75/50/541377550.db2.gz	QHTIGKNBIHGCMC-CABCVRRESA-N	1	1	361.417	2.346	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000066833204	541377552	/nfs/dbraw/zinc/37/75/52/541377552.db2.gz	QHTIGKNBIHGCMC-CABCVRRESA-N	1	1	361.417	2.346	20	30		FEEDMO
C[NH+]1CCN(C(=O)CC2CCN(c3c(F)cc(C#N)cc3F)CC2)CC1	ZINC000066860309	541382013	/nfs/dbraw/zinc/38/20/13/541382013.db2.gz	WCEKUJWTVMVETF-UHFFFAOYSA-N	1	1	362.424	2.217	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2nnc3ccccn32)CC1	ZINC000067443422	541465358	/nfs/dbraw/zinc/46/53/58/541465358.db2.gz	XJPAGIIUYMXNCS-QRWLVFNGSA-N	1	1	368.485	2.352	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCC)C2)c1	ZINC000067554446	541480338	/nfs/dbraw/zinc/48/03/38/541480338.db2.gz	YEAYCUXXRNLCSE-INIZCTEOSA-N	1	1	359.470	2.428	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccccc2SCC(=O)NC(C)C)CC1	ZINC000068468195	541596012	/nfs/dbraw/zinc/59/60/12/541596012.db2.gz	OUORSPLDCDOJOM-UHFFFAOYSA-N	1	1	373.522	2.084	20	30		FEEDMO
C[C@H](CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[N@@H+](C)C1CC1	ZINC000069440493	541687296	/nfs/dbraw/zinc/68/72/96/541687296.db2.gz	RCKACKRYFWHKCI-GDBMZVCRSA-N	1	1	373.476	2.448	20	30		FEEDMO
CN1CCN(CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1	ZINC000072786176	541865267	/nfs/dbraw/zinc/86/52/67/541865267.db2.gz	HJXYNWXMBVZPCN-UHFFFAOYSA-N	1	1	366.513	2.191	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)c1	ZINC000072829876	541874787	/nfs/dbraw/zinc/87/47/87/541874787.db2.gz	YASBBGAAKZBBJJ-OAQYLSRUSA-N	1	1	368.481	2.152	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)c1	ZINC000072829876	541874791	/nfs/dbraw/zinc/87/47/91/541874791.db2.gz	YASBBGAAKZBBJJ-OAQYLSRUSA-N	1	1	368.481	2.152	20	30		FEEDMO
C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1N1CCCC1	ZINC000072981790	541903295	/nfs/dbraw/zinc/90/32/95/541903295.db2.gz	XXXSZYCEBXTXDV-UHFFFAOYSA-N	1	1	353.470	2.375	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1N1CCCC1	ZINC000072981790	541903299	/nfs/dbraw/zinc/90/32/99/541903299.db2.gz	XXXSZYCEBXTXDV-UHFFFAOYSA-N	1	1	353.470	2.375	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1	ZINC000076000243	542223623	/nfs/dbraw/zinc/22/36/23/542223623.db2.gz	QOHDRDVHSSCTRL-SFHVURJKSA-N	1	1	359.470	2.030	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)N(CCC#N)CCC#N	ZINC000077371595	542373896	/nfs/dbraw/zinc/37/38/96/542373896.db2.gz	VQFCQJZFAIRIIL-IBGZPJMESA-N	1	1	367.497	2.239	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)NCc1ccccc1C[NH+]1CCCCC1	ZINC000078805150	542481703	/nfs/dbraw/zinc/48/17/03/542481703.db2.gz	RCOWALODJSMNDO-MRXNPFEDSA-N	1	1	358.486	2.162	20	30		FEEDMO
CCO[C@H](C)c1nc(CN2CC[NH+](CCO[C@@H](C)C#N)CC2)cs1	ZINC000801923297	674155403	/nfs/dbraw/zinc/15/54/03/674155403.db2.gz	DHQPMEMXRXOTOY-LSDHHAIUSA-N	1	1	352.504	2.287	20	30		FEEDMO
C[C@H](C#N)OCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1	ZINC000801928615	674155746	/nfs/dbraw/zinc/15/57/46/674155746.db2.gz	FTQHJEVSTLEGRA-CQSZACIVSA-N	1	1	352.276	2.495	20	30		FEEDMO
CCCNC(=O)C[NH+]1CCC(NC(=O)c2cccc(SCC#N)c2)CC1	ZINC000079404728	542516926	/nfs/dbraw/zinc/51/69/26/542516926.db2.gz	GALCSNZSVALYGR-UHFFFAOYSA-N	1	1	374.510	2.023	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000080053133	542560758	/nfs/dbraw/zinc/56/07/58/542560758.db2.gz	MTDMIEPODJIKDN-UHFFFAOYSA-N	1	1	370.432	2.124	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](C)CC12CCCCC2	ZINC000080940686	542616854	/nfs/dbraw/zinc/61/68/54/542616854.db2.gz	LMRQUBVQPORBGJ-UHFFFAOYSA-N	1	1	357.454	2.423	20	30		FEEDMO
COCCC[N@H+]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000081087942	542631496	/nfs/dbraw/zinc/63/14/96/542631496.db2.gz	ACNMODIDPIXSEW-LJQANCHMSA-N	1	1	372.513	2.366	20	30		FEEDMO
Cn1cc(C[C@H]2CC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)cn1	ZINC000083216960	542694788	/nfs/dbraw/zinc/69/47/88/542694788.db2.gz	BSFSCNZWRLWMAB-CZUORRHYSA-N	1	1	355.467	2.023	20	30		FEEDMO
Cn1cc(C[C@H]2CC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)cn1	ZINC000083216960	542694790	/nfs/dbraw/zinc/69/47/90/542694790.db2.gz	BSFSCNZWRLWMAB-CZUORRHYSA-N	1	1	355.467	2.023	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(c2nc[nH]n2)CC1)C(C)C	ZINC000083702190	542701001	/nfs/dbraw/zinc/70/10/01/542701001.db2.gz	KGFANQIYOMZGFX-KRWDZBQOSA-N	1	1	360.506	2.392	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3ccccc3[C@H]2C)CC1	ZINC000091558596	542812273	/nfs/dbraw/zinc/81/22/73/542812273.db2.gz	UXGAMKPEFQFXPJ-XLIONFOSSA-N	1	1	354.498	2.298	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc3C2)CC1	ZINC000091577851	542813480	/nfs/dbraw/zinc/81/34/80/542813480.db2.gz	PWXRWXVMWKKQGQ-NHCUHLMSSA-N	1	1	368.525	2.168	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)CC1	ZINC000091589386	542814345	/nfs/dbraw/zinc/81/43/45/542814345.db2.gz	UVZWKWGPZSJOMI-CUWPLCDZSA-N	1	1	354.498	2.372	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)CC1	ZINC000091589386	542814348	/nfs/dbraw/zinc/81/43/48/542814348.db2.gz	UVZWKWGPZSJOMI-CUWPLCDZSA-N	1	1	354.498	2.372	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCS[C@H]3CCCC[C@@H]32)CC1	ZINC000091590689	542814422	/nfs/dbraw/zinc/81/44/22/542814422.db2.gz	HPVGNGJDZVZFJE-BZSNNMDCSA-N	1	1	364.559	2.039	20	30		FEEDMO
Cc1[nH+]ccn1-c1cncc(N2CCN(c3cccc(F)c3C#N)CC2)n1	ZINC000092890523	542893496	/nfs/dbraw/zinc/89/34/96/542893496.db2.gz	QEXKJPMIBMPZHU-UHFFFAOYSA-N	1	1	363.400	2.308	20	30		FEEDMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000093281514	542923535	/nfs/dbraw/zinc/92/35/35/542923535.db2.gz	SBTBFFCYKHUKOZ-SJORKVTESA-N	1	1	360.454	2.209	20	30		FEEDMO
COc1ccccc1[C@H](CNS(=O)(=O)CCCCC#N)[NH+]1CCCC1	ZINC000104107387	543123778	/nfs/dbraw/zinc/12/37/78/543123778.db2.gz	RRFRGZUMNAQFBF-KRWDZBQOSA-N	1	1	365.499	2.445	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000104686145	543137516	/nfs/dbraw/zinc/13/75/16/543137516.db2.gz	MOWIRVAANNXMEK-CQSZACIVSA-N	1	1	371.441	2.185	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@H+]1C[C@H](C)O	ZINC000247452110	549335423	/nfs/dbraw/zinc/33/54/23/549335423.db2.gz	HNVKJQFKJLXBJP-HOCLYGCPSA-N	1	1	361.490	2.424	20	30		FEEDMO
CC[N@H+]1CC[C@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1	ZINC000109259247	543319295	/nfs/dbraw/zinc/31/92/95/543319295.db2.gz	YRDHATHJMQHDCH-QGZVFWFLSA-N	1	1	356.470	2.171	20	30		FEEDMO
CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000111350366	543398562	/nfs/dbraw/zinc/39/85/62/543398562.db2.gz	CYGFGUCAJQCSGE-AWEZNQCLSA-N	1	1	350.488	2.132	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[N@@H+](C)Cc1ccccc1	ZINC000111910985	543424701	/nfs/dbraw/zinc/42/47/01/543424701.db2.gz	QKCDCGBPBUVOME-CQSZACIVSA-N	1	1	368.412	2.273	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(OCC#N)cc2)[C@H](C)C1	ZINC000115270835	543556937	/nfs/dbraw/zinc/55/69/37/543556937.db2.gz	GKCQRBNOWHIEPL-YLJYHZDGSA-N	1	1	373.497	2.385	20	30		FEEDMO
COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)nc3)CC2)cc1	ZINC000115326620	543560175	/nfs/dbraw/zinc/56/01/75/543560175.db2.gz	CHDRVWWCXPVLEF-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(C#N)nc3)CC2)cc1	ZINC000115326620	543560177	/nfs/dbraw/zinc/56/01/77/543560177.db2.gz	CHDRVWWCXPVLEF-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(C#N)nc3)cc2)CC1	ZINC000115334193	543560880	/nfs/dbraw/zinc/56/08/80/543560880.db2.gz	IEIPXOQLZNRXQO-UHFFFAOYSA-N	1	1	363.465	2.021	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC3(C#N)CCOCC3)cc2)C[C@H](C)O1	ZINC000115464377	543569196	/nfs/dbraw/zinc/56/91/96/543569196.db2.gz	RJXFMTOSMMFGTC-IYBDPMFKSA-N	1	1	357.454	2.098	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC3(C#N)CCOCC3)cc2)C[C@H](C)O1	ZINC000115464377	543569198	/nfs/dbraw/zinc/56/91/98/543569198.db2.gz	RJXFMTOSMMFGTC-IYBDPMFKSA-N	1	1	357.454	2.098	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1	ZINC000115533321	543571361	/nfs/dbraw/zinc/57/13/61/543571361.db2.gz	QPIDNQMCZXNWIO-MJGOQNOKSA-N	1	1	362.433	2.435	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1	ZINC000115533321	543571362	/nfs/dbraw/zinc/57/13/62/543571362.db2.gz	QPIDNQMCZXNWIO-MJGOQNOKSA-N	1	1	362.433	2.435	20	30		FEEDMO
C=CC[C@H](C)NC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000117078949	543623062	/nfs/dbraw/zinc/62/30/62/543623062.db2.gz	GBKLAPIIQKWUCG-JYJNAYRXSA-N	1	1	359.470	2.315	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000118117813	543646620	/nfs/dbraw/zinc/64/66/20/543646620.db2.gz	JWQDDVKBFXHEMS-OAHLLOKOSA-N	1	1	360.458	2.154	20	30		FEEDMO
C=CCC[C@H](O)C[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000121507583	543695597	/nfs/dbraw/zinc/69/55/97/543695597.db2.gz	LACWKJWNEAEOPN-SJORKVTESA-N	1	1	353.484	2.011	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000121507583	543695600	/nfs/dbraw/zinc/69/56/00/543695600.db2.gz	LACWKJWNEAEOPN-SJORKVTESA-N	1	1	353.484	2.011	20	30		FEEDMO
C=CCCOCCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1	ZINC000122953883	543733832	/nfs/dbraw/zinc/73/38/32/543733832.db2.gz	MSSHPERFJQULNS-QGZVFWFLSA-N	1	1	361.486	2.299	20	30		FEEDMO
C=CCCOCCNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1	ZINC000122953883	543733834	/nfs/dbraw/zinc/73/38/34/543733834.db2.gz	MSSHPERFJQULNS-QGZVFWFLSA-N	1	1	361.486	2.299	20	30		FEEDMO
C[C@@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)CCCCC#N)CC1	ZINC000125813140	543903558	/nfs/dbraw/zinc/90/35/58/543903558.db2.gz	UXISGGJFPHKFTC-HNNXBMFYSA-N	1	1	350.488	2.220	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000126198346	543923306	/nfs/dbraw/zinc/92/33/06/543923306.db2.gz	MGHWYWYJUBTDSS-IBGZPJMESA-N	1	1	370.497	2.398	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000126198346	543923308	/nfs/dbraw/zinc/92/33/08/543923308.db2.gz	MGHWYWYJUBTDSS-IBGZPJMESA-N	1	1	370.497	2.398	20	30		FEEDMO
N#Cc1ccc([C@H](O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000127097231	543972781	/nfs/dbraw/zinc/97/27/81/543972781.db2.gz	HOLLBHCPSSZINY-LJQANCHMSA-N	1	1	352.394	2.322	20	30		FEEDMO
C=CCC[C@@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1ccccc1	ZINC000131060333	544175967	/nfs/dbraw/zinc/17/59/67/544175967.db2.gz	ZQWYJSDAVAGPJW-QUCCMNQESA-N	1	1	361.486	2.076	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1C#N	ZINC000134141580	544295720	/nfs/dbraw/zinc/29/57/20/544295720.db2.gz	GDPKRCRVHQNXNF-HNNXBMFYSA-N	1	1	372.469	2.084	20	30		FEEDMO
C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1)C1CC1	ZINC000142536712	544417737	/nfs/dbraw/zinc/41/77/37/544417737.db2.gz	VCGIWEKYJQVRFB-MRXNPFEDSA-N	1	1	367.497	2.255	20	30		FEEDMO
C[C@H](C1CC1)N(C(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1)C1CC1	ZINC000142536712	544417740	/nfs/dbraw/zinc/41/77/40/544417740.db2.gz	VCGIWEKYJQVRFB-MRXNPFEDSA-N	1	1	367.497	2.255	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)ccc1OCC#N	ZINC000142287415	544416488	/nfs/dbraw/zinc/41/64/88/544416488.db2.gz	GDDMNBZULPOFFT-DBWMJRBXSA-N	1	1	355.438	2.307	20	30		FEEDMO
CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1	ZINC000151883313	544592302	/nfs/dbraw/zinc/59/23/02/544592302.db2.gz	VNQKJFBYERIKHG-UHFFFAOYSA-N	1	1	353.463	2.440	20	30		FEEDMO
CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153275373	544755405	/nfs/dbraw/zinc/75/54/05/544755405.db2.gz	YECGJFVYXPMPHC-OAHLLOKOSA-N	1	1	368.485	2.165	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@]2(CCOC2)C1	ZINC000153513058	544784563	/nfs/dbraw/zinc/78/45/63/544784563.db2.gz	VWELCBRMSIFVFW-HXUWFJFHSA-N	1	1	374.485	2.064	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@@]2(CCOC2)C1	ZINC000153513058	544784566	/nfs/dbraw/zinc/78/45/66/544784566.db2.gz	VWELCBRMSIFVFW-HXUWFJFHSA-N	1	1	374.485	2.064	20	30		FEEDMO
O=C(C[N@H+]1CC[C@@]2(CCOC2)C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000154035436	544856886	/nfs/dbraw/zinc/85/68/86/544856886.db2.gz	NKDDYFVJDLNDKR-GOSISDBHSA-N	1	1	366.383	2.286	20	30		FEEDMO
CC[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)[N@@H+]1CCc2ccccc2C1	ZINC000553772709	674285268	/nfs/dbraw/zinc/28/52/68/674285268.db2.gz	JRBQWGJRZAJXLN-INIZCTEOSA-N	1	1	359.451	2.266	20	30		FEEDMO
CC[C@@H](CNS(=O)(=O)c1ccc(C#N)o1)[N@H+]1CCc2ccccc2C1	ZINC000553772709	674285269	/nfs/dbraw/zinc/28/52/69/674285269.db2.gz	JRBQWGJRZAJXLN-INIZCTEOSA-N	1	1	359.451	2.266	20	30		FEEDMO
C[C@H]1CC[C@@](CO)([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000188023046	328060966	/nfs/dbraw/zinc/06/09/66/328060966.db2.gz	NAHMAXNGTOYWPT-MGPUTAFESA-N	1	1	367.453	2.165	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[N@@H+]1CCO	ZINC000188766404	328109564	/nfs/dbraw/zinc/10/95/64/328109564.db2.gz	YAOQXZFFLRKWJS-MRXNPFEDSA-N	1	1	365.433	2.489	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC[N@H+]1CCO	ZINC000188766404	328109566	/nfs/dbraw/zinc/10/95/66/328109566.db2.gz	YAOQXZFFLRKWJS-MRXNPFEDSA-N	1	1	365.433	2.489	20	30		FEEDMO
CCO[C@@H]1C[C@@](CO)([NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)C1(C)C	ZINC000190023695	328183311	/nfs/dbraw/zinc/18/33/11/328183311.db2.gz	VQUHEIGVAKFHQC-BEFAXECRSA-N	1	1	356.426	2.264	20	30		FEEDMO
CC(=O)N1CC[NH+](Cc2ccc(NCc3cc(C#N)n(C)c3)cc2)CC1	ZINC000191564264	328271601	/nfs/dbraw/zinc/27/16/01/328271601.db2.gz	YYWNPCBTXFMEGA-UHFFFAOYSA-N	1	1	351.454	2.173	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCOCC(F)F)CC2)cc1	ZINC000191614061	328274059	/nfs/dbraw/zinc/27/40/59/328274059.db2.gz	UKZLUQQTHOFAEN-UHFFFAOYSA-N	1	1	366.412	2.057	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccnc(C#N)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000193543951	328380836	/nfs/dbraw/zinc/38/08/36/328380836.db2.gz	PFOZVVXNPDJLLZ-WOJBJXKFSA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccnc(C#N)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000193543951	328380837	/nfs/dbraw/zinc/38/08/37/328380837.db2.gz	PFOZVVXNPDJLLZ-WOJBJXKFSA-N	1	1	364.449	2.363	20	30		FEEDMO
COc1cccc2c1CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)CC2	ZINC000193708977	328390758	/nfs/dbraw/zinc/39/07/58/328390758.db2.gz	ARYRSILBBGHHJG-SFHVURJKSA-N	1	1	352.434	2.407	20	30		FEEDMO
Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCN(c3ccc(C#N)cn3)CC2)c1	ZINC000193766289	328394051	/nfs/dbraw/zinc/39/40/51/328394051.db2.gz	ATBQNFCPCFIUPB-IBGZPJMESA-N	1	1	366.465	2.132	20	30		FEEDMO
CNC(=O)[C@@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000081554410	325183353	/nfs/dbraw/zinc/18/33/53/325183353.db2.gz	HSENENNJYNPXLK-LBPRGKRZSA-N	1	1	362.499	2.141	20	30		FEEDMO
CCN(CC)[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)c1ccccc1	ZINC000089673955	325326198	/nfs/dbraw/zinc/32/61/98/325326198.db2.gz	AXEXKOQYYGZRRZ-SFHVURJKSA-N	1	1	368.485	2.455	20	30		FEEDMO
CCN(CC)[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N)c1ccccc1	ZINC000089673956	325326302	/nfs/dbraw/zinc/32/63/02/325326302.db2.gz	AXEXKOQYYGZRRZ-GOSISDBHSA-N	1	1	368.485	2.455	20	30		FEEDMO
Cc1cccc(-c2noc(C[N@@H+](C)CCCc3[nH]nc(N)c3C#N)n2)c1	ZINC000089942954	325344032	/nfs/dbraw/zinc/34/40/32/325344032.db2.gz	IOGPFCJNSGGMIJ-UHFFFAOYSA-N	1	1	351.414	2.287	20	30		FEEDMO
CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1	ZINC000109868378	325679494	/nfs/dbraw/zinc/67/94/94/325679494.db2.gz	ZPQTWYHXIWCUBQ-OAHLLOKOSA-N	1	1	356.470	2.369	20	30		FEEDMO
C[C@H](Oc1cccnc1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000117748081	326069030	/nfs/dbraw/zinc/06/90/30/326069030.db2.gz	BDQLTTBXIUUJRL-KRWDZBQOSA-N	1	1	364.449	2.455	20	30		FEEDMO
C[C@H](Oc1cccnc1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000117748081	326069032	/nfs/dbraw/zinc/06/90/32/326069032.db2.gz	BDQLTTBXIUUJRL-KRWDZBQOSA-N	1	1	364.449	2.455	20	30		FEEDMO
CC(C)n1cnnc1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000118861060	326109168	/nfs/dbraw/zinc/10/91/68/326109168.db2.gz	LXSGVRCYYFXZCG-MSOLQXFVSA-N	1	1	369.469	2.350	20	30		FEEDMO
CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000120893412	326297017	/nfs/dbraw/zinc/29/70/17/326297017.db2.gz	OZGBTHPUPOZPDW-AEFFLSMTSA-N	1	1	373.501	2.404	20	30		FEEDMO
C[C@H]1CCC[N@H+]1C1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000121685596	326358284	/nfs/dbraw/zinc/35/82/84/326358284.db2.gz	FLYKFZNORKTYPC-ZDUSSCGKSA-N	1	1	358.417	2.111	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1	ZINC000163931678	327061779	/nfs/dbraw/zinc/06/17/79/327061779.db2.gz	KXDRAVCJEZICPV-QGZVFWFLSA-N	1	1	365.474	2.381	20	30		FEEDMO
Cc1nn(C)c(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1	ZINC000166438246	327082150	/nfs/dbraw/zinc/08/21/50/327082150.db2.gz	RUFGSKGCCNTFSF-UHFFFAOYSA-N	1	1	354.414	2.139	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1	ZINC000167170669	327083932	/nfs/dbraw/zinc/08/39/32/327083932.db2.gz	ZUXHTKRWZFSNEZ-MRXNPFEDSA-N	1	1	366.387	2.320	20	30		FEEDMO
N#Cc1ccccc1N1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1	ZINC000170694366	327094551	/nfs/dbraw/zinc/09/45/51/327094551.db2.gz	MWMDKZYRXIFRTO-UHFFFAOYSA-N	1	1	370.497	2.099	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC[C@H]1CCCC[N@H+]1C	ZINC000172835056	327221499	/nfs/dbraw/zinc/22/14/99/327221499.db2.gz	VPIPERDKHCTCLV-MRXNPFEDSA-N	1	1	358.486	2.129	20	30		FEEDMO
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000173229485	327242838	/nfs/dbraw/zinc/24/28/38/327242838.db2.gz	ZCMKFNGPBVZVGN-OAHLLOKOSA-N	1	1	359.474	2.301	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@H](CO)C2)c1C#N	ZINC000174703692	327344468	/nfs/dbraw/zinc/34/44/68/327344468.db2.gz	BBFYXUGEBYVUFO-HNNXBMFYSA-N	1	1	370.428	2.358	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@H](CO)C2)c1C#N	ZINC000174703692	327344470	/nfs/dbraw/zinc/34/44/70/327344470.db2.gz	BBFYXUGEBYVUFO-HNNXBMFYSA-N	1	1	370.428	2.358	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1C#N	ZINC000174782059	327350798	/nfs/dbraw/zinc/35/07/98/327350798.db2.gz	UKGHVYSEXLHOAA-CQSZACIVSA-N	1	1	356.470	2.432	20	30		FEEDMO
CN(C)C(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc1	ZINC000264893028	329071970	/nfs/dbraw/zinc/07/19/70/329071970.db2.gz	PZBQFPODQHKNDM-UHFFFAOYSA-N	1	1	363.465	2.367	20	30		FEEDMO
C[N@@H+](CCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1	ZINC000264910330	329073804	/nfs/dbraw/zinc/07/38/04/329073804.db2.gz	WWDYRKXSFOAQCL-UHFFFAOYSA-N	1	1	369.469	2.013	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1	ZINC000267955524	329371409	/nfs/dbraw/zinc/37/14/09/329371409.db2.gz	SBBRBHBDEQYZIP-VQIMIIECSA-N	1	1	367.497	2.011	20	30		FEEDMO
Cc1ccnc(OC2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)c1	ZINC000272767760	329812019	/nfs/dbraw/zinc/81/20/19/329812019.db2.gz	ALQROYGWNAAASE-UHFFFAOYSA-N	1	1	364.449	2.421	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000275989529	330109671	/nfs/dbraw/zinc/10/96/71/330109671.db2.gz	XGBVRHREKMXZMS-UHFFFAOYSA-N	1	1	368.359	2.068	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCOCC(F)F)CC2)cc1	ZINC000276563212	330164771	/nfs/dbraw/zinc/16/47/71/330164771.db2.gz	LWXGCCNLDPSDLU-UHFFFAOYSA-N	1	1	351.397	2.264	20	30		FEEDMO
C[NH+]1CCC2(CCCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)CC1	ZINC000367201682	330229147	/nfs/dbraw/zinc/22/91/47/330229147.db2.gz	USCDMZYNMXGSJQ-IBGZPJMESA-N	1	1	352.482	2.471	20	30		FEEDMO
CC(C)COC1CC[NH+]([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1	ZINC000077397843	517423205	/nfs/dbraw/zinc/42/32/05/517423205.db2.gz	JAUBHDIAVLJEIF-SFHVURJKSA-N	1	1	355.438	2.327	20	30		FEEDMO
CS[C@@H](C)CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000328631670	525784477	/nfs/dbraw/zinc/78/44/77/525784477.db2.gz	RGJIWZSLJUKOKX-OFQRWUPVSA-N	1	1	353.536	2.400	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000155622304	545550855	/nfs/dbraw/zinc/55/08/55/545550855.db2.gz	QEKARPHEKYAXIL-HKUYNNGSSA-N	1	1	357.502	2.289	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C#N	ZINC000155965865	545588404	/nfs/dbraw/zinc/58/84/04/545588404.db2.gz	ZDUPIEPMVFNXMC-KXBFYZLASA-N	1	1	366.465	2.281	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000156026470	545593221	/nfs/dbraw/zinc/59/32/21/545593221.db2.gz	CJLDOOFQDXXOLB-APWZRJJASA-N	1	1	351.450	2.082	20	30		FEEDMO
CC#CCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2)CC1	ZINC000156483423	545630202	/nfs/dbraw/zinc/63/02/02/545630202.db2.gz	OCCNUGRTYFSVKP-UHFFFAOYSA-N	1	1	364.287	2.419	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@](C)(C(N)=O)c1ccccc1	ZINC000158201932	545834777	/nfs/dbraw/zinc/83/47/77/545834777.db2.gz	OREAUMQJJQAZOY-GHTZIAJQSA-N	1	1	354.450	2.145	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1	ZINC000158893919	545903351	/nfs/dbraw/zinc/90/33/51/545903351.db2.gz	IHAYAKFLONBRHD-UGKGYDQZSA-N	1	1	364.445	2.472	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1	ZINC000158893919	545903355	/nfs/dbraw/zinc/90/33/55/545903355.db2.gz	IHAYAKFLONBRHD-UGKGYDQZSA-N	1	1	364.445	2.472	20	30		FEEDMO
CNc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1	ZINC000159327808	545943993	/nfs/dbraw/zinc/94/39/93/545943993.db2.gz	KCHCYCUAQFRXAY-UHFFFAOYSA-N	1	1	355.467	2.405	20	30		FEEDMO
CNc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1	ZINC000159327808	545943997	/nfs/dbraw/zinc/94/39/97/545943997.db2.gz	KCHCYCUAQFRXAY-UHFFFAOYSA-N	1	1	355.467	2.405	20	30		FEEDMO
C=CCN(CCOC)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000478786435	561174818	/nfs/dbraw/zinc/17/48/18/561174818.db2.gz	JCOIHFRBDDJGFG-FQEVSTJZSA-N	1	1	374.529	2.209	20	30		FEEDMO
C=CCN(CCOC)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000478786435	561174819	/nfs/dbraw/zinc/17/48/19/561174819.db2.gz	JCOIHFRBDDJGFG-FQEVSTJZSA-N	1	1	374.529	2.209	20	30		FEEDMO
C=CCN(CCOC)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1	ZINC000478786435	561174820	/nfs/dbraw/zinc/17/48/20/561174820.db2.gz	JCOIHFRBDDJGFG-FQEVSTJZSA-N	1	1	374.529	2.209	20	30		FEEDMO
C=CC[NH+]1CCC(N[C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)CC1	ZINC000479068839	561180783	/nfs/dbraw/zinc/18/07/83/561180783.db2.gz	OZPXTBGZAIEANT-HNNXBMFYSA-N	1	1	351.516	2.252	20	30		FEEDMO
Cn1cc(CCCN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])cn1	ZINC000171286551	546200831	/nfs/dbraw/zinc/20/08/31/546200831.db2.gz	HZDRHHVMHRFEBV-UHFFFAOYSA-N	1	1	364.453	2.012	20	30		FEEDMO
C[C@@H]1CCC[C@](C#N)(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000172308730	546245804	/nfs/dbraw/zinc/24/58/04/546245804.db2.gz	GXNHZKLBCFFJMG-NQIIRXRSSA-N	1	1	354.498	2.393	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC(OCC[NH+]2CCCC2)CC1	ZINC000173946623	546289176	/nfs/dbraw/zinc/28/91/76/546289176.db2.gz	GXQATEHINSFGAH-GOSISDBHSA-N	1	1	351.535	2.376	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NCCCC[N@H+]1CCC[C@H]1CO	ZINC000175619785	546321971	/nfs/dbraw/zinc/32/19/71/546321971.db2.gz	DMQTWCAELOGLFN-INIZCTEOSA-N	1	1	360.458	2.315	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC2CCN(S(=O)(=O)CCCCC#N)CC2)C[C@H](C)O1	ZINC000175664926	546330117	/nfs/dbraw/zinc/33/01/17/546330117.db2.gz	YWIJOKUWEZOMKG-CALCHBBNSA-N	1	1	371.547	2.221	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)Nc1cc(C#N)ccc1OC(F)F	ZINC000176070261	546401804	/nfs/dbraw/zinc/40/18/04/546401804.db2.gz	HYKCAQNQJRGRAG-UHFFFAOYSA-N	1	1	356.373	2.249	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000176209940	546419908	/nfs/dbraw/zinc/41/99/08/546419908.db2.gz	HIFZTDMFHYDIFL-UHFFFAOYSA-N	1	1	360.458	2.132	20	30		FEEDMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)Cc1ccc(F)cc1	ZINC000176333154	546432938	/nfs/dbraw/zinc/43/29/38/546432938.db2.gz	DQECUJABJWDWJK-UHFFFAOYSA-N	1	1	372.375	2.023	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NCCCCC#N)C2)cc(OC)c1	ZINC000176398259	546440436	/nfs/dbraw/zinc/44/04/36/546440436.db2.gz	SIBWKRQFCUDGSS-MRXNPFEDSA-N	1	1	360.458	2.271	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)NCCCCC#N)C2)cc(OC)c1	ZINC000176398259	546440438	/nfs/dbraw/zinc/44/04/38/546440438.db2.gz	SIBWKRQFCUDGSS-MRXNPFEDSA-N	1	1	360.458	2.271	20	30		FEEDMO
N#Cc1ccc(C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2CC2)cc1	ZINC000177026245	546526436	/nfs/dbraw/zinc/52/64/36/546526436.db2.gz	BOYNLNHUQIFEEI-UHFFFAOYSA-N	1	1	368.359	2.301	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000177470120	546626299	/nfs/dbraw/zinc/62/62/99/546626299.db2.gz	WBZHTCCINVHQQB-GOSISDBHSA-N	1	1	363.845	2.472	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000177470120	546626302	/nfs/dbraw/zinc/62/63/02/546626302.db2.gz	WBZHTCCINVHQQB-GOSISDBHSA-N	1	1	363.845	2.472	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)CCO1	ZINC000178164449	546750687	/nfs/dbraw/zinc/75/06/87/546750687.db2.gz	RLWCKGCDUBXCSO-INIZCTEOSA-N	1	1	371.481	2.427	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000178501531	546803522	/nfs/dbraw/zinc/80/35/22/546803522.db2.gz	FYOGRKWGHWZUBA-KRWDZBQOSA-N	1	1	354.454	2.186	20	30		FEEDMO
CCCC[N@@H+](CC)Cc1cccc(CNC(=O)Cn2cnc(C#N)n2)c1	ZINC000178678892	546831827	/nfs/dbraw/zinc/83/18/27/546831827.db2.gz	SLLWDYJEEINYCU-UHFFFAOYSA-N	1	1	354.458	2.088	20	30		FEEDMO
CN(C(=O)c1cc(C#N)cn1C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000178928912	546875234	/nfs/dbraw/zinc/87/52/34/546875234.db2.gz	YQJQQWQXPIQEQS-OALUTQOASA-N	1	1	371.529	2.306	20	30		FEEDMO
Cn1cc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180285720	547079079	/nfs/dbraw/zinc/07/90/79/547079079.db2.gz	WIYRCFBNSJKKBU-QGZVFWFLSA-N	1	1	361.453	2.462	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC=C(c3ccccc3)CC2)CC1	ZINC000180516365	547123007	/nfs/dbraw/zinc/12/30/07/547123007.db2.gz	AOMXSLYBMBQRTL-OAQYLSRUSA-N	1	1	366.509	2.468	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)CC1	ZINC000180516365	547123012	/nfs/dbraw/zinc/12/30/12/547123012.db2.gz	AOMXSLYBMBQRTL-OAQYLSRUSA-N	1	1	366.509	2.468	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000180831801	547188672	/nfs/dbraw/zinc/18/86/72/547188672.db2.gz	RYDHEPOAHHRROS-CQSZACIVSA-N	1	1	361.442	2.496	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F	ZINC000483099728	561267458	/nfs/dbraw/zinc/26/74/58/561267458.db2.gz	MONINVCSVUYJLF-TZMCWYRMSA-N	1	1	373.375	2.216	20	30		FEEDMO
CC1=C(C)C[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1	ZINC000483378527	561275274	/nfs/dbraw/zinc/27/52/74/561275274.db2.gz	RGFMDQXEGDDRFP-QGZVFWFLSA-N	1	1	358.511	2.499	20	30		FEEDMO
C[N@@H+](CCC1CC1)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000182969831	547581486	/nfs/dbraw/zinc/58/14/86/547581486.db2.gz	ARPORUIVPSCYGI-LJQANCHMSA-N	1	1	358.461	2.266	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000183249817	547627266	/nfs/dbraw/zinc/62/72/66/547627266.db2.gz	AGNRHMWCVFAVDN-KRWDZBQOSA-N	1	1	351.454	2.307	20	30		FEEDMO
C[NH+]1CCN(CCC(C)(C)NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000184225674	547791087	/nfs/dbraw/zinc/79/10/87/547791087.db2.gz	TYYYDLCHGGHCAX-UHFFFAOYSA-N	1	1	354.498	2.388	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CC[C@H](C)C1	ZINC000484873747	561307521	/nfs/dbraw/zinc/30/75/21/561307521.db2.gz	LOULUURZNQEBII-RDJZCZTQSA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CC[C@H](C)C1	ZINC000484873747	561307522	/nfs/dbraw/zinc/30/75/22/561307522.db2.gz	LOULUURZNQEBII-RDJZCZTQSA-N	1	1	350.484	2.469	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000184627740	547856347	/nfs/dbraw/zinc/85/63/47/547856347.db2.gz	QBCLCACJYLMAPF-UHFFFAOYSA-N	1	1	364.413	2.198	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1	ZINC000188342313	548278108	/nfs/dbraw/zinc/27/81/08/548278108.db2.gz	LPNQKLDZJWIAIE-OAQYLSRUSA-N	1	1	373.497	2.170	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC1(O)CCOCC1	ZINC000189761837	548311276	/nfs/dbraw/zinc/31/12/76/548311276.db2.gz	SZUXSMQXQHCEHU-HNNXBMFYSA-N	1	1	352.500	2.125	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1	ZINC000192461739	548364975	/nfs/dbraw/zinc/36/49/75/548364975.db2.gz	XEUWHCOBXURHKW-ZDUSSCGKSA-N	1	1	361.417	2.121	20	30		FEEDMO
C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1	ZINC000486560353	561350828	/nfs/dbraw/zinc/35/08/28/561350828.db2.gz	NWCDWHKCJFVKEL-JTSKRJEESA-N	1	1	363.461	2.415	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@H](C)[N@H+]1C	ZINC000487076067	561362966	/nfs/dbraw/zinc/36/29/66/561362966.db2.gz	PYHQBABXNLHMGH-TXEJJXNPSA-N	1	1	362.499	2.407	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C[C@H](C)[N@@H+]1C	ZINC000487076067	561362967	/nfs/dbraw/zinc/36/29/67/561362967.db2.gz	PYHQBABXNLHMGH-TXEJJXNPSA-N	1	1	362.499	2.407	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1	ZINC000487193339	561365851	/nfs/dbraw/zinc/36/58/51/561365851.db2.gz	VWBZALHQHKOBJU-QGZVFWFLSA-N	1	1	360.458	2.387	20	30		FEEDMO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1C	ZINC000246069428	549045810	/nfs/dbraw/zinc/04/58/10/549045810.db2.gz	SLOCRESUIPRLCU-RYUDHWBXSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1C	ZINC000246069428	549045812	/nfs/dbraw/zinc/04/58/12/549045812.db2.gz	SLOCRESUIPRLCU-RYUDHWBXSA-N	1	1	368.384	2.078	20	30		FEEDMO
CCSCC[C@@H](C)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000246082362	549048045	/nfs/dbraw/zinc/04/80/45/549048045.db2.gz	MYCPPHBSHOYCAQ-IAGOWNOFSA-N	1	1	354.564	2.142	20	30		FEEDMO
CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1S[C@H](C)CC#N	ZINC000246122772	549057276	/nfs/dbraw/zinc/05/72/76/549057276.db2.gz	DFKBFVHCEZDKNI-UONOGXRCSA-N	1	1	362.499	2.333	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](OCCO)C1	ZINC000246688496	549189226	/nfs/dbraw/zinc/18/92/26/549189226.db2.gz	CWGRZASJHKHZKH-SWLSCSKDSA-N	1	1	351.834	2.012	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](OCCO)C1	ZINC000246688496	549189230	/nfs/dbraw/zinc/18/92/30/549189230.db2.gz	CWGRZASJHKHZKH-SWLSCSKDSA-N	1	1	351.834	2.012	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)ccc1F	ZINC000488933401	561399837	/nfs/dbraw/zinc/39/98/37/561399837.db2.gz	BNJZOUDWCMOLCN-UHFFFAOYSA-N	1	1	373.453	2.424	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1cccs1	ZINC000488999304	561401318	/nfs/dbraw/zinc/40/13/18/561401318.db2.gz	GBHKLSWBCYOTNS-CQSZACIVSA-N	1	1	353.444	2.340	20	30		FEEDMO
C=CCn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000489017536	561401748	/nfs/dbraw/zinc/40/17/48/561401748.db2.gz	FSQRNOBVHFQIEG-RBUKOAKNSA-N	1	1	353.466	2.287	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(F)cc1	ZINC000489115068	561403819	/nfs/dbraw/zinc/40/38/19/561403819.db2.gz	FQSKOVKXOGINBV-QGZVFWFLSA-N	1	1	365.405	2.418	20	30		FEEDMO
CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000248687294	549483966	/nfs/dbraw/zinc/48/39/66/549483966.db2.gz	ANIBDNZSHUZALP-XLIONFOSSA-N	1	1	360.454	2.209	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000248872789	549518804	/nfs/dbraw/zinc/51/88/04/549518804.db2.gz	QTMPOJPIHSHRGV-HNAYVOBHSA-N	1	1	362.433	2.133	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1C	ZINC000249049897	549542328	/nfs/dbraw/zinc/54/23/28/549542328.db2.gz	HYWSVIDBJNFLGA-LXJOXGFSSA-N	1	1	363.502	2.437	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1C	ZINC000249049897	549542331	/nfs/dbraw/zinc/54/23/31/549542331.db2.gz	HYWSVIDBJNFLGA-LXJOXGFSSA-N	1	1	363.502	2.437	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000249077382	549547255	/nfs/dbraw/zinc/54/72/55/549547255.db2.gz	LYKJYJIEEFPLPK-ZTFGCOKTSA-N	1	1	355.438	2.185	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000249077382	549547260	/nfs/dbraw/zinc/54/72/60/549547260.db2.gz	LYKJYJIEEFPLPK-ZTFGCOKTSA-N	1	1	355.438	2.185	20	30		FEEDMO
Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)c1C#N	ZINC000261751305	549751380	/nfs/dbraw/zinc/75/13/80/549751380.db2.gz	QFEYIEXMTHIHNH-KRWDZBQOSA-N	1	1	359.426	2.341	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1	ZINC000261796324	549755680	/nfs/dbraw/zinc/75/56/80/549755680.db2.gz	VMAUUPSTNNDXNA-GOSISDBHSA-N	1	1	359.426	2.174	20	30		FEEDMO
CC[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1CC(C)(C)Oc2ccccc21	ZINC000261965019	549774408	/nfs/dbraw/zinc/77/44/08/549774408.db2.gz	LETLMJQWLWXMMB-SJLPKXTDSA-N	1	1	373.545	2.090	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)COc3ccccc3C#N)CC2)C[C@H](C)O1	ZINC000263833553	549943421	/nfs/dbraw/zinc/94/34/21/549943421.db2.gz	TUIULCQJUNGHFT-CALCHBBNSA-N	1	1	371.481	2.285	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264167938	549987634	/nfs/dbraw/zinc/98/76/34/549987634.db2.gz	YCVAIRUWGSFOPJ-MRXNPFEDSA-N	1	1	354.454	2.410	20	30		FEEDMO
COC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000264972404	550004340	/nfs/dbraw/zinc/00/43/40/550004340.db2.gz	GLZHZBNWBNROCR-HUUCEWRRSA-N	1	1	361.442	2.071	20	30		FEEDMO
COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)O[NH+]=C(N)C1CCCC1	ZINC000264986594	550004798	/nfs/dbraw/zinc/00/47/98/550004798.db2.gz	SCHYFQSYEPBACQ-NSHDSACASA-N	1	1	362.430	2.460	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@H](C)C1	ZINC000265156401	550006550	/nfs/dbraw/zinc/00/65/50/550006550.db2.gz	CZJSOGKYCFOBJE-QUCCMNQESA-N	1	1	357.498	2.474	20	30		FEEDMO
C=CCNC(=O)c1ccc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)nc1	ZINC000265168593	550007232	/nfs/dbraw/zinc/00/72/32/550007232.db2.gz	YGJFYIIOCUBCCS-MRXNPFEDSA-N	1	1	351.454	2.276	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@@H+](C)C1CC1	ZINC000265395311	550009418	/nfs/dbraw/zinc/00/94/18/550009418.db2.gz	QFONYDMAJPFMNI-ZDUSSCGKSA-N	1	1	360.483	2.087	20	30		FEEDMO
N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1	ZINC000266109446	550017206	/nfs/dbraw/zinc/01/72/06/550017206.db2.gz	SJYNKENUHZJHJX-WOJBJXKFSA-N	1	1	354.498	2.250	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)CC1	ZINC000266153187	550018017	/nfs/dbraw/zinc/01/80/17/550018017.db2.gz	JPWULDFQWFUDRF-UHFFFAOYSA-N	1	1	372.874	2.055	20	30		FEEDMO
COCCC[N@H+](CCOC)CC(=O)Nc1ccccc1SCC#N	ZINC000266657888	550022523	/nfs/dbraw/zinc/02/25/23/550022523.db2.gz	LCGXIORZJWHNJE-UHFFFAOYSA-N	1	1	351.472	2.226	20	30		FEEDMO
COCCC[N@@H+](CCOC)CC(=O)Nc1ccccc1SCC#N	ZINC000266657888	550022527	/nfs/dbraw/zinc/02/25/27/550022527.db2.gz	LCGXIORZJWHNJE-UHFFFAOYSA-N	1	1	351.472	2.226	20	30		FEEDMO
C[C@@H](NC(=[NH2+])NC[C@@H]1CN(C)CCN1C)c1ccc(Cl)cc1Cl	ZINC000267446779	550031667	/nfs/dbraw/zinc/03/16/67/550031667.db2.gz	QHDKJYRPZYUASP-DGCLKSJQSA-N	1	1	358.317	2.205	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OC	ZINC000268625023	550095950	/nfs/dbraw/zinc/09/59/50/550095950.db2.gz	JIXKCXIBIJVGJS-DOTOQJQBSA-N	1	1	363.454	2.493	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1	ZINC000270016447	550243793	/nfs/dbraw/zinc/24/37/93/550243793.db2.gz	ZQBJRAIPYLIPDD-NRFANRHFSA-N	1	1	363.461	2.448	20	30		FEEDMO
C#CC[C@H](NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccccc1	ZINC000270438198	550272478	/nfs/dbraw/zinc/27/24/78/550272478.db2.gz	JJDFLZSIZHVQEJ-PMACEKPBSA-N	1	1	356.514	2.322	20	30		FEEDMO
CN(C)c1ncc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000271039945	550334100	/nfs/dbraw/zinc/33/41/00/550334100.db2.gz	MGHDPJUMOSWUCQ-UHFFFAOYSA-N	1	1	350.470	2.122	20	30		FEEDMO
COCCn1cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000271050137	550335243	/nfs/dbraw/zinc/33/52/43/550335243.db2.gz	UYOGFEHGXMZHIG-UHFFFAOYSA-N	1	1	353.470	2.109	20	30		FEEDMO
COCCn1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cn1	ZINC000271050137	550335244	/nfs/dbraw/zinc/33/52/44/550335244.db2.gz	UYOGFEHGXMZHIG-UHFFFAOYSA-N	1	1	353.470	2.109	20	30		FEEDMO
COCCn1cc(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)cn1	ZINC000271050137	550335247	/nfs/dbraw/zinc/33/52/47/550335247.db2.gz	UYOGFEHGXMZHIG-UHFFFAOYSA-N	1	1	353.470	2.109	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC1=CC[N@@H+](C)CC1	ZINC000271945341	550412325	/nfs/dbraw/zinc/41/23/25/550412325.db2.gz	XHMNYVJMVQYJGZ-CQSZACIVSA-N	1	1	372.494	2.255	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1	ZINC000272013882	550416222	/nfs/dbraw/zinc/41/62/22/550416222.db2.gz	LBBPEMOZHXWINU-QGZVFWFLSA-N	1	1	371.481	2.220	20	30		FEEDMO
N#Cc1c[nH]c(-c2nc(-c3ccccc3C[N@@H+]3CCC[C@@H]3C(N)=O)no2)c1	ZINC000273865617	550514037	/nfs/dbraw/zinc/51/40/37/550514037.db2.gz	MLYKHDVQTJAHGW-MRXNPFEDSA-N	1	1	362.393	2.053	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000274796773	550555049	/nfs/dbraw/zinc/55/50/49/550555049.db2.gz	DKPZWCWDUYHVKD-GGPKGHCWSA-N	1	1	356.514	2.495	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C	ZINC000274796773	550555050	/nfs/dbraw/zinc/55/50/50/550555050.db2.gz	DKPZWCWDUYHVKD-GGPKGHCWSA-N	1	1	356.514	2.495	20	30		FEEDMO
N#CCC[C@@H](C#N)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000274855620	550560025	/nfs/dbraw/zinc/56/00/25/550560025.db2.gz	SEEOSNFLMGKOGS-AWEZNQCLSA-N	1	1	367.413	2.427	20	30		FEEDMO
N#CCC[C@@H](C#N)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000274855620	550560026	/nfs/dbraw/zinc/56/00/26/550560026.db2.gz	SEEOSNFLMGKOGS-AWEZNQCLSA-N	1	1	367.413	2.427	20	30		FEEDMO
C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@@]1=O	ZINC000277035910	550624391	/nfs/dbraw/zinc/62/43/91/550624391.db2.gz	BLEGZJUZMYQVLJ-MYODQAERSA-N	1	1	353.875	2.383	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@@]1=O	ZINC000277035910	550624392	/nfs/dbraw/zinc/62/43/92/550624392.db2.gz	BLEGZJUZMYQVLJ-MYODQAERSA-N	1	1	353.875	2.383	20	30		FEEDMO
C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@](=O)C1	ZINC000277588734	550688459	/nfs/dbraw/zinc/68/84/59/550688459.db2.gz	WNLRBOKGFOLNOM-MYODQAERSA-N	1	1	353.875	2.241	20	30		FEEDMO
C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@](=O)C1	ZINC000277588734	550688461	/nfs/dbraw/zinc/68/84/61/550688461.db2.gz	WNLRBOKGFOLNOM-MYODQAERSA-N	1	1	353.875	2.241	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000277626612	550693612	/nfs/dbraw/zinc/69/36/12/550693612.db2.gz	ZMZBRHAGNHPFAL-GOEBONIOSA-N	1	1	370.453	2.049	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)CC1	ZINC000277927312	550729774	/nfs/dbraw/zinc/72/97/74/550729774.db2.gz	OCXVBKRCGALXGF-UHFFFAOYSA-N	1	1	356.382	2.390	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000278628794	550805906	/nfs/dbraw/zinc/80/59/06/550805906.db2.gz	KNBXTUKCZDNPOG-MRXNPFEDSA-N	1	1	359.470	2.131	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2C[C@@H](CO)C[C@H](OCCOC)C2)cc1OC	ZINC000278647770	550807801	/nfs/dbraw/zinc/80/78/01/550807801.db2.gz	JNGAYBZKMCIJJE-ROUUACIJSA-N	1	1	365.470	2.106	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)s1	ZINC000279313425	550876704	/nfs/dbraw/zinc/87/67/04/550876704.db2.gz	RPRVMYUVYKPQRC-ZDUSSCGKSA-N	1	1	350.488	2.066	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)s1	ZINC000279313425	550876705	/nfs/dbraw/zinc/87/67/05/550876705.db2.gz	RPRVMYUVYKPQRC-ZDUSSCGKSA-N	1	1	350.488	2.066	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c(-c2ccncc2)n1	ZINC000279356249	550881060	/nfs/dbraw/zinc/88/10/60/550881060.db2.gz	GSGXFMXYEJHOJE-KRWDZBQOSA-N	1	1	367.453	2.444	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1	ZINC000279411101	550887306	/nfs/dbraw/zinc/88/73/06/550887306.db2.gz	NVHOSNFTLMBHIF-LPHOPBHVSA-N	1	1	350.470	2.385	20	30		FEEDMO
CN1CC[C@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1	ZINC000279411101	550887307	/nfs/dbraw/zinc/88/73/07/550887307.db2.gz	NVHOSNFTLMBHIF-LPHOPBHVSA-N	1	1	350.470	2.385	20	30		FEEDMO
CN1CC[C@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1	ZINC000279411101	550887308	/nfs/dbraw/zinc/88/73/08/550887308.db2.gz	NVHOSNFTLMBHIF-LPHOPBHVSA-N	1	1	350.470	2.385	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000279769115	550926876	/nfs/dbraw/zinc/92/68/76/550926876.db2.gz	SMEAKOPLVJXEKJ-FCEWJHQRSA-N	1	1	368.481	2.245	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000279769115	550926878	/nfs/dbraw/zinc/92/68/78/550926878.db2.gz	SMEAKOPLVJXEKJ-FCEWJHQRSA-N	1	1	368.481	2.245	20	30		FEEDMO
Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC#Cc1ccc(F)cc1	ZINC000279785727	550928805	/nfs/dbraw/zinc/92/88/05/550928805.db2.gz	UVTHJPRKWSABTA-ICSRJNTNSA-N	1	1	358.436	2.455	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@]2(CCOC2)O1	ZINC000280372966	550986759	/nfs/dbraw/zinc/98/67/59/550986759.db2.gz	VMCQLKJXYQJSHO-YWZLYKJASA-N	1	1	352.438	2.339	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(Br)cc2)C1=O	ZINC000281173829	551070861	/nfs/dbraw/zinc/07/08/61/551070861.db2.gz	AKCUWYVLBWHXFN-LSDHHAIUSA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(Br)cc2)C1=O	ZINC000281173829	551070862	/nfs/dbraw/zinc/07/08/62/551070862.db2.gz	AKCUWYVLBWHXFN-LSDHHAIUSA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1	ZINC000281489837	551104115	/nfs/dbraw/zinc/10/41/15/551104115.db2.gz	PVVIRKLQKGVLBD-DOTOQJQBSA-N	1	1	359.470	2.489	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@]1(CO)CCOc2ccccc21	ZINC000281608048	551120041	/nfs/dbraw/zinc/12/00/41/551120041.db2.gz	GIOQIUYPHZUDTI-LJQANCHMSA-N	1	1	371.824	2.410	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)CCCO)c1C#N	ZINC000281626454	551122140	/nfs/dbraw/zinc/12/21/40/551122140.db2.gz	HUZFOMXXYWCMQS-UHFFFAOYSA-N	1	1	354.454	2.278	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)CCCO)c1C#N	ZINC000281626454	551122143	/nfs/dbraw/zinc/12/21/43/551122143.db2.gz	HUZFOMXXYWCMQS-UHFFFAOYSA-N	1	1	354.454	2.278	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1C	ZINC000281879449	551152356	/nfs/dbraw/zinc/15/23/56/551152356.db2.gz	TUKIRUSWJVCPGB-WBVHZDCISA-N	1	1	355.442	2.356	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000497370079	561499580	/nfs/dbraw/zinc/49/95/80/561499580.db2.gz	MTHFKEHGLULSAB-QFBILLFUSA-N	1	1	370.497	2.191	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)[C@H](CO)c2cccc(Br)c2)C1=O	ZINC000282130447	551184547	/nfs/dbraw/zinc/18/45/47/551184547.db2.gz	YQVNDQAGMHYQFC-HUUCEWRRSA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)[C@H](CO)c2cccc(Br)c2)C1=O	ZINC000282130447	551184549	/nfs/dbraw/zinc/18/45/49/551184549.db2.gz	YQVNDQAGMHYQFC-HUUCEWRRSA-N	1	1	353.260	2.201	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000282985309	551293614	/nfs/dbraw/zinc/29/36/14/551293614.db2.gz	MJQWZJUPWZSBSP-IRXDYDNUSA-N	1	1	364.515	2.062	20	30		FEEDMO
C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[NH+](CCOCC)CC1	ZINC000283055629	551304582	/nfs/dbraw/zinc/30/45/82/551304582.db2.gz	WFDRPSMCFWCSQW-UHFFFAOYSA-N	1	1	358.490	2.018	20	30		FEEDMO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000283353646	551352250	/nfs/dbraw/zinc/35/22/50/551352250.db2.gz	SGNXGZBWQCAQMX-INIZCTEOSA-N	1	1	357.506	2.423	20	30		FEEDMO
C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[NH+](CCOCC)CC1	ZINC000283379740	551356840	/nfs/dbraw/zinc/35/68/40/551356840.db2.gz	UZYRPHLKHATCOO-UHFFFAOYSA-N	1	1	356.474	2.075	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC1	ZINC000284115878	551486490	/nfs/dbraw/zinc/48/64/90/551486490.db2.gz	CBUHALRRNHLILZ-KRWDZBQOSA-N	1	1	362.495	2.104	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1	ZINC000284382049	551537204	/nfs/dbraw/zinc/53/72/04/551537204.db2.gz	UXOSGICVYMQSIH-CALCHBBNSA-N	1	1	370.497	2.001	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000285277699	551730671	/nfs/dbraw/zinc/73/06/71/551730671.db2.gz	ZTOOYEOVKFUYQZ-IAGOWNOFSA-N	1	1	361.486	2.073	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C	ZINC000285771436	551808251	/nfs/dbraw/zinc/80/82/51/551808251.db2.gz	DMBCBSOFXNYWJR-QWFCFKBJSA-N	1	1	370.497	2.117	20	30		FEEDMO
C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)CN1CCN(C)CC1	ZINC000286007910	551837642	/nfs/dbraw/zinc/83/76/42/551837642.db2.gz	JAMXKKHKCWQMAD-SFHVURJKSA-N	1	1	355.530	2.000	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CC[C@H](OCc2ccncc2)C1)C1(C#N)CCCCC1	ZINC000287750536	552041999	/nfs/dbraw/zinc/04/19/99/552041999.db2.gz	LPMGBOZUBWSDSN-SFHVURJKSA-N	1	1	356.470	2.357	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@H](OCc2ccncc2)C1)C1(C#N)CCCCC1	ZINC000287750536	552042000	/nfs/dbraw/zinc/04/20/00/552042000.db2.gz	LPMGBOZUBWSDSN-SFHVURJKSA-N	1	1	356.470	2.357	20	30		FEEDMO
C=CCN1CC[C@@H](N[C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)C1=O	ZINC000499601825	561554446	/nfs/dbraw/zinc/55/44/46/561554446.db2.gz	FSCOHBUYDIVTFH-VQIMIIECSA-N	1	1	374.504	2.405	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C#N)o1	ZINC000288191057	552107483	/nfs/dbraw/zinc/10/74/83/552107483.db2.gz	PRFFMWYTULJOCR-RHSMWYFYSA-N	1	1	359.451	2.340	20	30		FEEDMO
CN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)o1	ZINC000288231716	552115294	/nfs/dbraw/zinc/11/52/94/552115294.db2.gz	RYTCBNKBMARLRC-INIZCTEOSA-N	1	1	359.451	2.436	20	30		FEEDMO
CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)o1	ZINC000288231716	552115296	/nfs/dbraw/zinc/11/52/96/552115296.db2.gz	RYTCBNKBMARLRC-INIZCTEOSA-N	1	1	359.451	2.436	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C#N)o1	ZINC000288267800	552122255	/nfs/dbraw/zinc/12/22/55/552122255.db2.gz	ULHFOJIDWWZLGK-HNNXBMFYSA-N	1	1	359.451	2.436	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C#N)o1	ZINC000288267800	552122256	/nfs/dbraw/zinc/12/22/56/552122256.db2.gz	ULHFOJIDWWZLGK-HNNXBMFYSA-N	1	1	359.451	2.436	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1	ZINC000288518205	552167758	/nfs/dbraw/zinc/16/77/58/552167758.db2.gz	PCDCIDRSDAJLEA-QUCCMNQESA-N	1	1	357.498	2.421	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289227572	552285614	/nfs/dbraw/zinc/28/56/14/552285614.db2.gz	SZRNUSRDJJAWQM-MJGOQNOKSA-N	1	1	357.498	2.438	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2	ZINC000289230355	552286273	/nfs/dbraw/zinc/28/62/73/552286273.db2.gz	WIJWCEWTXKBDGH-IBGZPJMESA-N	1	1	361.445	2.321	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2	ZINC000289230355	552286274	/nfs/dbraw/zinc/28/62/74/552286274.db2.gz	WIJWCEWTXKBDGH-IBGZPJMESA-N	1	1	361.445	2.321	20	30		FEEDMO
C=CCn1c(C2CCC2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1	ZINC000289280238	552294269	/nfs/dbraw/zinc/29/42/69/552294269.db2.gz	ABYCXBOGJULWPF-UHFFFAOYSA-N	1	1	374.533	2.112	20	30		FEEDMO
C=CCn1c(C2CCC2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1	ZINC000289280238	552294270	/nfs/dbraw/zinc/29/42/70/552294270.db2.gz	ABYCXBOGJULWPF-UHFFFAOYSA-N	1	1	374.533	2.112	20	30		FEEDMO
C#CC[C@@]1(C(=O)NCC2=CC[N@@H+](C)CC2)CCCN1C(=O)OC(C)(C)C	ZINC000289499512	552331677	/nfs/dbraw/zinc/33/16/77/552331677.db2.gz	SSKZOTXFIQTVFO-FQEVSTJZSA-N	1	1	361.486	2.158	20	30		FEEDMO
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cncc(C#N)c1	ZINC000289648372	552355766	/nfs/dbraw/zinc/35/57/66/552355766.db2.gz	GCEGNJHNCXZHOS-HKUYNNGSSA-N	1	1	368.462	2.258	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C	ZINC000289941630	552403331	/nfs/dbraw/zinc/40/33/31/552403331.db2.gz	VKOQOFSSBLVOSP-WSTZPKSXSA-N	1	1	370.497	2.117	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C	ZINC000290052394	552420154	/nfs/dbraw/zinc/42/01/54/552420154.db2.gz	BEUADDKKXLLRSQ-ZMSDIMECSA-N	1	1	358.442	2.304	20	30		FEEDMO
C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1	ZINC000291048487	552580537	/nfs/dbraw/zinc/58/05/37/552580537.db2.gz	OSEVZJMAHHBBSC-KRWDZBQOSA-N	1	1	369.517	2.066	20	30		FEEDMO
N#C[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1	ZINC000291194640	552598686	/nfs/dbraw/zinc/59/86/86/552598686.db2.gz	JTHDFNXIKSMWJD-OALUTQOASA-N	1	1	356.470	2.223	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000291636954	552646301	/nfs/dbraw/zinc/64/63/01/552646301.db2.gz	BZNUORNUOFBJKV-ZWKOTPCHSA-N	1	1	371.485	2.236	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccco1	ZINC000291776680	552660727	/nfs/dbraw/zinc/66/07/27/552660727.db2.gz	WBTKRTSPSYPPLD-HOTGVXAUSA-N	1	1	369.425	2.012	20	30		FEEDMO
COCC(C)(C)CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000291938745	552676628	/nfs/dbraw/zinc/67/66/28/552676628.db2.gz	UFGHFNDYZWRJAL-UHFFFAOYSA-N	1	1	358.486	2.448	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)COCc3ccccc3F)C2)nc1	ZINC000292096133	552693316	/nfs/dbraw/zinc/69/33/16/552693316.db2.gz	FXPICIPBWBOWPO-ROUUACIJSA-N	1	1	371.412	2.123	20	30		FEEDMO
Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292280564	552711860	/nfs/dbraw/zinc/71/18/60/552711860.db2.gz	SUIYFUKADLFOQV-ZWKOTPCHSA-N	1	1	353.422	2.155	20	30		FEEDMO
C[N@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1S(N)(=O)=O	ZINC000292550858	552737439	/nfs/dbraw/zinc/73/74/39/552737439.db2.gz	AEOGNVYZDHSBAJ-UHFFFAOYSA-N	1	1	359.451	2.107	20	30		FEEDMO
C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1S(N)(=O)=O	ZINC000292550858	552737440	/nfs/dbraw/zinc/73/74/40/552737440.db2.gz	AEOGNVYZDHSBAJ-UHFFFAOYSA-N	1	1	359.451	2.107	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)C2)nc1	ZINC000292699919	552750624	/nfs/dbraw/zinc/75/06/24/552750624.db2.gz	QOWUHHMDTPLMME-QZTJIDSGSA-N	1	1	369.469	2.133	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H](O)C12CCCC2	ZINC000292830930	552762540	/nfs/dbraw/zinc/76/25/40/552762540.db2.gz	UBPPCPYFWGHXIO-KRWDZBQOSA-N	1	1	365.437	2.062	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H](O)C12CCCC2	ZINC000292830930	552762541	/nfs/dbraw/zinc/76/25/41/552762541.db2.gz	UBPPCPYFWGHXIO-KRWDZBQOSA-N	1	1	365.437	2.062	20	30		FEEDMO
C=C[C@H](CO)NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000292933005	552772337	/nfs/dbraw/zinc/77/23/37/552772337.db2.gz	KLXZNUUOXZKUOP-ZENOOKHLSA-N	1	1	355.841	2.318	20	30		FEEDMO
CCc1ccc(C#CC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1	ZINC000293237768	552802088	/nfs/dbraw/zinc/80/20/88/552802088.db2.gz	ZNROJKMZOOXUTH-UHFFFAOYSA-N	1	1	353.510	2.275	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C(F)F)ccc1Cl	ZINC000293418728	552821791	/nfs/dbraw/zinc/82/17/91/552821791.db2.gz	PTXVNTFLQXNSTO-UHFFFAOYSA-N	1	1	357.788	2.287	20	30		FEEDMO
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CCOCCC#N	ZINC000293501050	552830019	/nfs/dbraw/zinc/83/00/19/552830019.db2.gz	NQANFSZLOCJNFI-INIZCTEOSA-N	1	1	362.426	2.096	20	30		FEEDMO
COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1CCOCCC#N	ZINC000293501050	552830021	/nfs/dbraw/zinc/83/00/21/552830021.db2.gz	NQANFSZLOCJNFI-INIZCTEOSA-N	1	1	362.426	2.096	20	30		FEEDMO
N#Cc1ccsc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000293666689	552845506	/nfs/dbraw/zinc/84/55/06/552845506.db2.gz	MJTIMRYDHVZTOS-HIFRSBDPSA-N	1	1	358.467	2.034	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-]	ZINC000293958708	552870810	/nfs/dbraw/zinc/87/08/10/552870810.db2.gz	KTCOILXFMZMEIG-UHFFFAOYSA-N	1	1	352.394	2.342	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000501795510	561605468	/nfs/dbraw/zinc/60/54/68/561605468.db2.gz	YTSQTZCBDKYMCH-LZJOCLMNSA-N	1	1	354.498	2.390	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)c1ccc(Br)cc1C#N	ZINC000294523586	552912773	/nfs/dbraw/zinc/91/27/73/552912773.db2.gz	PCHNRKAOGRPWER-UHFFFAOYSA-N	1	1	354.248	2.019	20	30		FEEDMO
C#CCCOc1ccc(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1	ZINC000294931365	552945364	/nfs/dbraw/zinc/94/53/64/552945364.db2.gz	LMPSWPIXUINRGJ-FQEVSTJZSA-N	1	1	357.498	2.091	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)Nc1ncc(Br)cc1C#N	ZINC000295052224	552954518	/nfs/dbraw/zinc/95/45/18/552954518.db2.gz	OSGXSAISOTZXHR-GFCCVEGCSA-N	1	1	352.280	2.154	20	30		FEEDMO
C=CCCOCCNC(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1	ZINC000501957208	561608824	/nfs/dbraw/zinc/60/88/24/561608824.db2.gz	KQKLGBSGZKJWQQ-OALUTQOASA-N	1	1	361.486	2.340	20	30		FEEDMO
C=CCCOCCNC(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1	ZINC000501957208	561608825	/nfs/dbraw/zinc/60/88/25/561608825.db2.gz	KQKLGBSGZKJWQQ-OALUTQOASA-N	1	1	361.486	2.340	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000295770864	553056828	/nfs/dbraw/zinc/05/68/28/553056828.db2.gz	YMNCNXVKDQRQAV-DOTOQJQBSA-N	1	1	362.433	2.168	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1	ZINC000502322581	561616119	/nfs/dbraw/zinc/61/61/19/561616119.db2.gz	ZJTFISBOKYTMQW-MRXNPFEDSA-N	1	1	367.453	2.144	20	30		FEEDMO
C=CCNC(=O)C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1	ZINC000502322581	561616120	/nfs/dbraw/zinc/61/61/20/561616120.db2.gz	ZJTFISBOKYTMQW-MRXNPFEDSA-N	1	1	367.453	2.144	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1	ZINC000296889381	553225564	/nfs/dbraw/zinc/22/55/64/553225564.db2.gz	MFIWJJDAVYTQOP-HNNXBMFYSA-N	1	1	371.485	2.286	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1	ZINC000297030626	553244486	/nfs/dbraw/zinc/24/44/86/553244486.db2.gz	AVDKBXNUHDBQDH-LJQANCHMSA-N	1	1	358.442	2.143	20	30		FEEDMO
CC(C)(C)OC(=O)NCC1(C[NH+]2CCN(c3ncccc3C#N)CC2)CC1	ZINC000297607968	553315243	/nfs/dbraw/zinc/31/52/43/553315243.db2.gz	GFBSDSCXCUXSGB-UHFFFAOYSA-N	1	1	371.485	2.380	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC	ZINC000298255972	553404611	/nfs/dbraw/zinc/40/46/11/553404611.db2.gz	FFEFPAVXKMSOKK-LJQANCHMSA-N	1	1	372.513	2.319	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@@H+]([C@@H](C)CCC#N)CC2)cc1	ZINC000298611551	553449030	/nfs/dbraw/zinc/44/90/30/553449030.db2.gz	MFVPDOXZTCESKI-HNNXBMFYSA-N	1	1	351.472	2.084	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@H+]([C@@H](C)CCC#N)CC2)cc1	ZINC000298611551	553449032	/nfs/dbraw/zinc/44/90/32/553449032.db2.gz	MFVPDOXZTCESKI-HNNXBMFYSA-N	1	1	351.472	2.084	20	30		FEEDMO
N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)cc1	ZINC000298629573	553451395	/nfs/dbraw/zinc/45/13/95/553451395.db2.gz	VSMPQSWFKGMMOR-NRFANRHFSA-N	1	1	360.417	2.399	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(F)cc1	ZINC000298878892	553484314	/nfs/dbraw/zinc/48/43/14/553484314.db2.gz	ZFVBCKGTBDXNQF-GOSISDBHSA-N	1	1	361.442	2.420	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1nccc(C#N)c1[N+](=O)[O-]	ZINC000301655512	553669014	/nfs/dbraw/zinc/66/90/14/553669014.db2.gz	LAMUPTYVOZZYOK-HNNXBMFYSA-N	1	1	366.425	2.484	20	30		FEEDMO
Cc1cc(C)c2ncc(C#N)c(NC[C@](C)(O)C[NH+]3CCOCC3)c2c1	ZINC000301796904	553680143	/nfs/dbraw/zinc/68/01/43/553680143.db2.gz	ZAMPSBKJACAVBL-FQEVSTJZSA-N	1	1	354.454	2.218	20	30		FEEDMO
C[C@]1(CO)CCC[C@H]1NC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000328600667	553794457	/nfs/dbraw/zinc/79/44/57/553794457.db2.gz	DENZQMPRDGIUCP-UYAOXDASSA-N	1	1	361.486	2.438	20	30		FEEDMO
O=C(CC1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1)N1CCCC1	ZINC000328648917	553801807	/nfs/dbraw/zinc/80/18/07/553801807.db2.gz	IJFKBRUWXYEDFX-QZTJIDSGSA-N	1	1	362.518	2.252	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)CC[N@H+]1CCOC	ZINC000328660667	553803572	/nfs/dbraw/zinc/80/35/72/553803572.db2.gz	VSYYNTAXJKPDOT-DLBZAZTESA-N	1	1	363.506	2.026	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CNC(=O)C2CCCCC2)CC1	ZINC000328659880	553803709	/nfs/dbraw/zinc/80/37/09/553803709.db2.gz	UISRCARLLSRFMY-GOSISDBHSA-N	1	1	364.534	2.152	20	30		FEEDMO
O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](Cn2ccnn2)C1	ZINC000328660754	553803904	/nfs/dbraw/zinc/80/39/04/553803904.db2.gz	VXFOPFGLUFCTEC-RTBURBONSA-N	1	1	368.485	2.179	20	30		FEEDMO
O=C(CNC(=O)c1cc(-c2ccccc2)on1)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000328676953	553805609	/nfs/dbraw/zinc/80/56/09/553805609.db2.gz	AHXAQNLPEQELGV-INIZCTEOSA-N	1	1	368.437	2.343	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1C	ZINC000328720167	553812265	/nfs/dbraw/zinc/81/22/65/553812265.db2.gz	GPQUDURWFJTFBY-KBPBESRZSA-N	1	1	359.474	2.012	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2nccn2-c2ccccc2)C[C@@H]1[NH+]1CCOCC1	ZINC000328748874	553816439	/nfs/dbraw/zinc/81/64/39/553816439.db2.gz	PTXPCQCGOBIDMF-WBVHZDCISA-N	1	1	355.442	2.070	20	30		FEEDMO
C[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000328753768	553817169	/nfs/dbraw/zinc/81/71/69/553817169.db2.gz	SHYBTKYQFISWCN-HUUCEWRRSA-N	1	1	351.491	2.233	20	30		FEEDMO
CC[NH+]1CCN(C(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2CCCCC2)CC1	ZINC000328786351	553822181	/nfs/dbraw/zinc/82/21/81/553822181.db2.gz	OPDWMOIVQWIOGO-KRWDZBQOSA-N	1	1	361.490	2.022	20	30		FEEDMO
Cn1nccc1[C@@H]1[C@H](C(=O)NCC[N@@H+](C)C2CCCCC2)CC(=O)N1C	ZINC000328792777	553823001	/nfs/dbraw/zinc/82/30/01/553823001.db2.gz	ALAZXGIYXLDPJL-QAPCUYQASA-N	1	1	361.490	2.161	20	30		FEEDMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)COc2ccsc2Cl)CC1	ZINC000328861255	553834596	/nfs/dbraw/zinc/83/45/96/553834596.db2.gz	AOBKTTMWUPHBRT-UHFFFAOYSA-N	1	1	359.879	2.289	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cccc3c2OCCO3)C[C@H]1[NH+]1CCOCC1	ZINC000328890460	553839830	/nfs/dbraw/zinc/83/98/30/553839830.db2.gz	ROLAKPHBKAPSFY-GOEBONIOSA-N	1	1	361.442	2.046	20	30		FEEDMO
Cn1nccc1[C@H]1[C@@H](C(=O)NCC[N@H+]2CCCC(C)(C)C2)CC(=O)N1C	ZINC000328987011	553859447	/nfs/dbraw/zinc/85/94/47/553859447.db2.gz	HFLWSKMBHCACTA-WMLDXEAASA-N	1	1	361.490	2.018	20	30		FEEDMO
Cn1nccc1[C@@H]1[C@@H](C(=O)NCC[N@H+]2CCCC(C)(C)C2)CC(=O)N1C	ZINC000328987013	553859760	/nfs/dbraw/zinc/85/97/60/553859760.db2.gz	HFLWSKMBHCACTA-YOEHRIQHSA-N	1	1	361.490	2.018	20	30		FEEDMO
C[N@H+]1CC[C@@H]2OCCN(C(=O)C3CCC(NC(=O)C(C)(C)C)CC3)[C@@H]2C1	ZINC000328992849	553860287	/nfs/dbraw/zinc/86/02/87/553860287.db2.gz	DPVGCJOBENMSSQ-BACDZXNISA-N	1	1	365.518	2.479	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C[C@H]1CCCCO1	ZINC000329032357	553868356	/nfs/dbraw/zinc/86/83/56/553868356.db2.gz	QBNLWSQALOHUOO-LJQANCHMSA-N	1	1	373.497	2.483	20	30		FEEDMO
C[N@H+](CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)C[C@H]1CCCCO1	ZINC000329032357	553868358	/nfs/dbraw/zinc/86/83/58/553868358.db2.gz	QBNLWSQALOHUOO-LJQANCHMSA-N	1	1	373.497	2.483	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)C1	ZINC000329134103	553886573	/nfs/dbraw/zinc/88/65/73/553886573.db2.gz	ZKELYJSKAUFLRG-MOPGFXCFSA-N	1	1	372.513	2.412	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CC(=O)N(C4CCCCC4)C3)CC[C@H]21	ZINC000329161106	553892285	/nfs/dbraw/zinc/89/22/85/553892285.db2.gz	YSNDCXRDQHZTQN-JFIYKMOQSA-N	1	1	362.518	2.250	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCO1	ZINC000329162489	553893118	/nfs/dbraw/zinc/89/31/18/553893118.db2.gz	FVJHZXOTHLNQLK-KYHPRHEASA-N	1	1	363.506	2.216	20	30		FEEDMO
O=C(N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CC[NH+](C2CC2)CC1	ZINC000329212395	553903761	/nfs/dbraw/zinc/90/37/61/553903761.db2.gz	HUZVBNXJQLNHKK-CYBMUJFWSA-N	1	1	362.861	2.139	20	30		FEEDMO
Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCC3=CC[N@@H+](C)CC3)c(C)c12	ZINC000329217734	553905017	/nfs/dbraw/zinc/90/50/17/553905017.db2.gz	QQRZMEVVCFXCPC-UHFFFAOYSA-N	1	1	357.458	2.442	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1	ZINC000329261844	553912779	/nfs/dbraw/zinc/91/27/79/553912779.db2.gz	ZGBHVVLOVHNIQY-XUWVNRHRSA-N	1	1	353.507	2.335	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)C(=O)N[C@H](c2nccn2C)C2CCOCC2)CC[N@H+]1C	ZINC000329317966	553923907	/nfs/dbraw/zinc/92/39/07/553923907.db2.gz	HYXVTOCMJNWEDD-OIISXLGYSA-N	1	1	363.506	2.216	20	30		FEEDMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCn2cncc2C1	ZINC000329364213	553932994	/nfs/dbraw/zinc/93/29/94/553932994.db2.gz	JMBAIYNNMIRAMW-GOSISDBHSA-N	1	1	354.454	2.434	20	30		FEEDMO
C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCCO1	ZINC000329472854	553953142	/nfs/dbraw/zinc/95/31/42/553953142.db2.gz	OJMBIXUKTZQJKA-DZVNLGKHSA-N	1	1	353.507	2.432	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)Cc2cnc(N(C)C)nc2)C1	ZINC000329496457	553957650	/nfs/dbraw/zinc/95/76/50/553957650.db2.gz	JAQCRNOKEMGOON-OAHLLOKOSA-N	1	1	362.522	2.399	20	30		FEEDMO
C[C@@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)C1=CC[N@@H+](C)CC1	ZINC000329533745	553963344	/nfs/dbraw/zinc/96/33/44/553963344.db2.gz	YFERMKKRYWLKES-CQSZACIVSA-N	1	1	363.483	2.182	20	30		FEEDMO
Cc1csc([C@H](C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)n1	ZINC000329616721	553977033	/nfs/dbraw/zinc/97/70/33/553977033.db2.gz	PXHOUYIFJHODAK-BPLDGKMQSA-N	1	1	352.504	2.264	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCCS2(=O)=O)C1	ZINC000329628221	553978743	/nfs/dbraw/zinc/97/87/43/553978743.db2.gz	HEBLKECTXSVDRN-XHSDSOJGSA-N	1	1	373.563	2.214	20	30		FEEDMO
[O-]C(=[NH+][C@H]1CCc2nc[nH]c2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329634365	553980206	/nfs/dbraw/zinc/98/02/06/553980206.db2.gz	XCDVHCYNLLUYIH-KSZLIROESA-N	1	1	365.481	2.245	20	30		FEEDMO
[O-]C(=[NH+][C@H]1CCc2[nH]cnc2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329634365	553980207	/nfs/dbraw/zinc/98/02/07/553980207.db2.gz	XCDVHCYNLLUYIH-KSZLIROESA-N	1	1	365.481	2.245	20	30		FEEDMO
[O-]C(=[NH+][C@H]1CCc2[nH]cnc2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329634365	553980209	/nfs/dbraw/zinc/98/02/09/553980209.db2.gz	XCDVHCYNLLUYIH-KSZLIROESA-N	1	1	365.481	2.245	20	30		FEEDMO
C[NH+]1CCC(N2CCC(NC(=O)c3cccc4nccnc43)CC2)CC1	ZINC000329666665	553985279	/nfs/dbraw/zinc/98/52/79/553985279.db2.gz	LBCPXAFZBCGDDP-UHFFFAOYSA-N	1	1	353.470	2.493	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NCc2noc3c2CCCC3)C[C@@H]1[NH+]1CCOCC1	ZINC000329708629	553993160	/nfs/dbraw/zinc/99/31/60/553993160.db2.gz	MLYDQTNTCVKAHZ-PBHICJAKSA-N	1	1	362.474	2.010	20	30		FEEDMO
CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)no1	ZINC000329711947	553993573	/nfs/dbraw/zinc/99/35/73/553993573.db2.gz	PGZQMMZAWFVDMQ-ZFWWWQNUSA-N	1	1	363.462	2.131	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)C1	ZINC000329722380	553995498	/nfs/dbraw/zinc/99/54/98/553995498.db2.gz	FGMQDXGQZRJXTO-FJIDUMEYSA-N	1	1	373.501	2.291	20	30		FEEDMO
CN1CN(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1=O	ZINC000329756349	554000819	/nfs/dbraw/zinc/00/08/19/554000819.db2.gz	YPAZIFAAQNJPPW-LRDDRELGSA-N	1	1	368.840	2.117	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1OC	ZINC000507114835	561718015	/nfs/dbraw/zinc/71/80/15/561718015.db2.gz	AHKCNCBOSPOIPW-INIZCTEOSA-N	1	1	368.499	2.164	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc1OC	ZINC000507114835	561718017	/nfs/dbraw/zinc/71/80/17/561718017.db2.gz	AHKCNCBOSPOIPW-INIZCTEOSA-N	1	1	368.499	2.164	20	30		FEEDMO
Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)C2)nn1	ZINC000329790148	554006886	/nfs/dbraw/zinc/00/68/86/554006886.db2.gz	CQHYEKBKGJVVOC-MSOLQXFVSA-N	1	1	374.533	2.235	20	30		FEEDMO
CO[C@H]1C[C@H](C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)N(C(C)=O)C1	ZINC000329870723	554022283	/nfs/dbraw/zinc/02/22/83/554022283.db2.gz	AFNFVDAWSQOLBS-HDEZJCGLSA-N	1	1	353.507	2.335	20	30		FEEDMO
CCN1CCCN(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1=O	ZINC000329869237	554022411	/nfs/dbraw/zinc/02/24/11/554022411.db2.gz	YMMWGZZHPSBORL-SJLPKXTDSA-N	1	1	358.486	2.290	20	30		FEEDMO
CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000330084308	554061684	/nfs/dbraw/zinc/06/16/84/554061684.db2.gz	BYFJDUHBMSHKCT-JQHSSLGASA-N	1	1	358.486	2.354	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1	ZINC000330146946	554073475	/nfs/dbraw/zinc/07/34/75/554073475.db2.gz	TUPORCMLFGFGOO-OLZOCXBDSA-N	1	1	357.414	2.432	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](c2nnc[nH]2)C1	ZINC000330146946	554073478	/nfs/dbraw/zinc/07/34/78/554073478.db2.gz	TUPORCMLFGFGOO-OLZOCXBDSA-N	1	1	357.414	2.432	20	30		FEEDMO
CO[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)C[C@@H]1OC	ZINC000330169768	554077417	/nfs/dbraw/zinc/07/74/17/554077417.db2.gz	DLGXCRRDDRSPDO-NCOADZHNSA-N	1	1	367.877	2.345	20	30		FEEDMO
CO[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)C[C@@H]1OC	ZINC000330169768	554077418	/nfs/dbraw/zinc/07/74/18/554077418.db2.gz	DLGXCRRDDRSPDO-NCOADZHNSA-N	1	1	367.877	2.345	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC(=O)N(CC(F)(F)F)C2)C1	ZINC000330193745	554082291	/nfs/dbraw/zinc/08/22/91/554082291.db2.gz	YSSIXHCOTSRBFE-GFCCVEGCSA-N	1	1	364.412	2.075	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1ccc2c(c1)COC2	ZINC000330271051	554097318	/nfs/dbraw/zinc/09/73/18/554097318.db2.gz	VHSBYISGIXOTND-OAHLLOKOSA-N	1	1	359.470	2.316	20	30		FEEDMO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)C[N@@H+](C)[C@@H]1CCSC1	ZINC000330275100	554097829	/nfs/dbraw/zinc/09/78/29/554097829.db2.gz	LAZGHKSQPXXHRV-KEYYUXOJSA-N	1	1	352.504	2.261	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)CC[N@H+]1C	ZINC000330291566	554100266	/nfs/dbraw/zinc/10/02/66/554100266.db2.gz	GNSGOBHGZDBFBB-BRWVUGGUSA-N	1	1	358.486	2.368	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000330377005	554113438	/nfs/dbraw/zinc/11/34/38/554113438.db2.gz	PSONXLKSLYXZFS-LBPRGKRZSA-N	1	1	361.389	2.340	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)N1CCC(C(=O)NC2CCCCC2)CC1	ZINC000330437309	554121880	/nfs/dbraw/zinc/12/18/80/554121880.db2.gz	NCFGCOYZMAXEQF-UHFFFAOYSA-N	1	1	352.523	2.402	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](CNC(N)=O)C2)C1	ZINC000330483796	554127304	/nfs/dbraw/zinc/12/73/04/554127304.db2.gz	VOJCXGGWKIGYJZ-OWCLPIDISA-N	1	1	367.538	2.451	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)nn(CCOC)c2C)C[C@@H]1C	ZINC000330641993	554149761	/nfs/dbraw/zinc/14/97/61/554149761.db2.gz	DEUFFFIKMKXWSF-XJKSGUPXSA-N	1	1	351.495	2.496	20	30		FEEDMO
COC(=O)c1c(C)c(C)sc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1	ZINC000330673989	554155387	/nfs/dbraw/zinc/15/53/87/554155387.db2.gz	PURULRKRRSMXPB-UHFFFAOYSA-N	1	1	369.487	2.086	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1	ZINC000331173194	554225340	/nfs/dbraw/zinc/22/53/40/554225340.db2.gz	WIXYXWPFBGDSOV-KFWWJZLASA-N	1	1	367.490	2.259	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1	ZINC000331173194	554225342	/nfs/dbraw/zinc/22/53/42/554225342.db2.gz	WIXYXWPFBGDSOV-KFWWJZLASA-N	1	1	367.490	2.259	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)NCc2c(F)cc(F)c(F)c2F)C[C@@H]1C	ZINC000331171233	554225382	/nfs/dbraw/zinc/22/53/82/554225382.db2.gz	JMVXAAPMPHJYFW-UWVGGRQHSA-N	1	1	363.355	2.044	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(S(C)(=O)=O)nc1	ZINC000331260864	554237632	/nfs/dbraw/zinc/23/76/32/554237632.db2.gz	KSDHBIZENRNQPI-OAHLLOKOSA-N	1	1	368.503	2.322	20	30		FEEDMO
CC(C)[C@H](CNC(=O)Nc1cn(C)nc1C(F)(F)F)[NH+]1CCOCC1	ZINC000331325513	554247602	/nfs/dbraw/zinc/24/76/02/554247602.db2.gz	ODKOWZSWZOWPKI-LBPRGKRZSA-N	1	1	363.384	2.122	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCN(C(=O)[C@H](C#N)CCc3ccccc3)CC2)CCO1	ZINC000331391200	554256561	/nfs/dbraw/zinc/25/65/61/554256561.db2.gz	KBFVOQRDWSNDAO-HKUYNNGSSA-N	1	1	355.482	2.471	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000331480083	554271393	/nfs/dbraw/zinc/27/13/93/554271393.db2.gz	JKTCDFSOASWRFK-IINYFYTJSA-N	1	1	373.400	2.338	20	30		FEEDMO
C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000331562936	554285562	/nfs/dbraw/zinc/28/55/62/554285562.db2.gz	UBWFNIZBKVVGDQ-SFHVURJKSA-N	1	1	356.470	2.403	20	30		FEEDMO
CC[C@@](C)(C#N)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1	ZINC000509095397	561784800	/nfs/dbraw/zinc/78/48/00/561784800.db2.gz	FCSYSMVNVSNTAP-IBGZPJMESA-N	1	1	355.442	2.316	20	30		FEEDMO
Cc1c(C#N)cccc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1	ZINC000509282722	561793666	/nfs/dbraw/zinc/79/36/66/561793666.db2.gz	CLXABJYDQJBOEQ-DFNIBXOVSA-N	1	1	352.482	2.250	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000332210361	554401594	/nfs/dbraw/zinc/40/15/94/554401594.db2.gz	GLVFBJAAVAXXPJ-KRWDZBQOSA-N	1	1	370.563	2.301	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1C(F)(F)F	ZINC000332302075	554420798	/nfs/dbraw/zinc/42/07/98/554420798.db2.gz	KWPYXYWMAGZOJY-CABCVRRESA-N	1	1	373.400	2.482	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000332401202	554439415	/nfs/dbraw/zinc/43/94/15/554439415.db2.gz	SSEXZDQXDKCXIP-HUUCEWRRSA-N	1	1	358.461	2.465	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC[N@@H+]1C	ZINC000332400824	554439436	/nfs/dbraw/zinc/43/94/36/554439436.db2.gz	SSEXZDQXDKCXIP-CABCVRRESA-N	1	1	358.461	2.465	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC=C(c3ccco3)C2)CC1	ZINC000332460880	554450173	/nfs/dbraw/zinc/45/01/73/554450173.db2.gz	VIOPKTUXFJQRAB-GOSISDBHSA-N	1	1	356.470	2.061	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC=C(c3ccco3)C2)CC1	ZINC000332460880	554450176	/nfs/dbraw/zinc/45/01/76/554450176.db2.gz	VIOPKTUXFJQRAB-GOSISDBHSA-N	1	1	356.470	2.061	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)C2)n1	ZINC000333055687	554565791	/nfs/dbraw/zinc/56/57/91/554565791.db2.gz	MDUYQCQIKWDSIK-RYQLBKOJSA-N	1	1	367.497	2.220	20	30		FEEDMO
C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000333421363	554611749	/nfs/dbraw/zinc/61/17/49/554611749.db2.gz	LYAKNZRNNYZSCW-SUMWQHHRSA-N	1	1	351.447	2.086	20	30		FEEDMO
C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000333421363	554611750	/nfs/dbraw/zinc/61/17/50/554611750.db2.gz	LYAKNZRNNYZSCW-SUMWQHHRSA-N	1	1	351.447	2.086	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1	ZINC000510922656	561850976	/nfs/dbraw/zinc/85/09/76/561850976.db2.gz	UDFYUJAHBJVQDN-CQSZACIVSA-N	1	1	363.424	2.192	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](N3CCCC3=O)CC2)C1=O	ZINC000334040737	554671478	/nfs/dbraw/zinc/67/14/78/554671478.db2.gz	OILRUMOQVOIAHP-HOTGVXAUSA-N	1	1	372.494	2.202	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](N3CCCC3=O)CC2)C1=O	ZINC000334040737	554671481	/nfs/dbraw/zinc/67/14/81/554671481.db2.gz	OILRUMOQVOIAHP-HOTGVXAUSA-N	1	1	372.494	2.202	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1	ZINC000359991565	554858116	/nfs/dbraw/zinc/85/81/16/554858116.db2.gz	DWXWACRMNBWOTK-VGWMRTNUSA-N	1	1	351.491	2.302	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000361789077	554935009	/nfs/dbraw/zinc/93/50/09/554935009.db2.gz	OIIXRISPCPTXQT-UHFFFAOYSA-N	1	1	356.470	2.325	20	30		FEEDMO
C=CCN=c1[nH]cc(C(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)s1	ZINC000362380203	554968065	/nfs/dbraw/zinc/96/80/65/554968065.db2.gz	LWPKVDVYZFFCNW-CQSZACIVSA-N	1	1	360.527	3.078	20	30		FEEDMO
CCN(C(=O)N=c1[nH]n(C)cc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000613855164	554980360	/nfs/dbraw/zinc/98/03/60/554980360.db2.gz	GDUCHJAEDCBLBH-QGZVFWFLSA-N	1	1	352.442	2.420	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCN(C(=O)c2ccoc2)CC1	ZINC000362808732	554990031	/nfs/dbraw/zinc/99/00/31/554990031.db2.gz	XZSRACFJHPHMBP-UHFFFAOYSA-N	1	1	372.450	2.389	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCCN(C(=O)c2ccoc2)CC1	ZINC000362808732	554990033	/nfs/dbraw/zinc/99/00/33/554990033.db2.gz	XZSRACFJHPHMBP-UHFFFAOYSA-N	1	1	372.450	2.389	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1	ZINC000363019305	555011956	/nfs/dbraw/zinc/01/19/56/555011956.db2.gz	XQNFMIMXFSMOLA-UHFFFAOYSA-N	1	1	363.377	2.474	20	30		FEEDMO
Cn1cc(C[C@H]2CC[N@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)cn1	ZINC000363307941	555075424	/nfs/dbraw/zinc/07/54/24/555075424.db2.gz	XKGZRIAWSLJRNX-CYBMUJFWSA-N	1	1	357.845	2.448	20	30		FEEDMO
Cn1cc(C[C@H]2CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3C#N)C2)cn1	ZINC000363307941	555075426	/nfs/dbraw/zinc/07/54/26/555075426.db2.gz	XKGZRIAWSLJRNX-CYBMUJFWSA-N	1	1	357.845	2.448	20	30		FEEDMO
C=CCOc1ccccc1C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1	ZINC000363382744	555091188	/nfs/dbraw/zinc/09/11/88/555091188.db2.gz	ZUMXHEPVDTVCCN-SFHVURJKSA-N	1	1	357.498	2.351	20	30		FEEDMO
N#CCOc1ccc(/C=C/C(=O)N2CCC[N@H+](C3CCOCC3)CC2)cc1	ZINC000363656473	555156796	/nfs/dbraw/zinc/15/67/96/555156796.db2.gz	ZGTFYCPNBZLWGN-QPJJXVBHSA-N	1	1	369.465	2.315	20	30		FEEDMO
CS[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1N(C)C	ZINC000363689818	555164996	/nfs/dbraw/zinc/16/49/96/555164996.db2.gz	OQKIQYMRYJDMEP-ROUUACIJSA-N	1	1	355.511	2.436	20	30		FEEDMO
CS[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1N(C)C	ZINC000363689818	555164997	/nfs/dbraw/zinc/16/49/97/555164997.db2.gz	OQKIQYMRYJDMEP-ROUUACIJSA-N	1	1	355.511	2.436	20	30		FEEDMO
C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1=CC[N@@H+](C)CC1	ZINC000363717301	555170729	/nfs/dbraw/zinc/17/07/29/555170729.db2.gz	RXEFPNLTGMBAQH-CYBMUJFWSA-N	1	1	368.416	2.655	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO	ZINC000364122121	555254370	/nfs/dbraw/zinc/25/43/70/555254370.db2.gz	AGBAAJIVODOZSQ-IRXDYDNUSA-N	1	1	372.469	2.410	20	30		FEEDMO
C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)n1	ZINC000364184579	555264839	/nfs/dbraw/zinc/26/48/39/555264839.db2.gz	CFNKRVYZCCDZRW-GOSISDBHSA-N	1	1	372.513	2.146	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)NCc2[nH+]c(C)n3c2CCCC3)n1	ZINC000364813271	555407349	/nfs/dbraw/zinc/40/73/49/555407349.db2.gz	IYQXWVJVWKCUFG-UHFFFAOYSA-N	1	1	354.458	2.089	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1	ZINC000365013922	555464931	/nfs/dbraw/zinc/46/49/31/555464931.db2.gz	CPSIBHSKXOTTAJ-UHFFFAOYSA-N	1	1	357.845	2.361	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1	ZINC000365155290	555496952	/nfs/dbraw/zinc/49/69/52/555496952.db2.gz	YBEIZUWUZVZPDX-MJGOQNOKSA-N	1	1	368.481	2.456	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1	ZINC000365155287	555497036	/nfs/dbraw/zinc/49/70/36/555497036.db2.gz	YBEIZUWUZVZPDX-HKUYNNGSSA-N	1	1	368.481	2.456	20	30		FEEDMO
N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1	ZINC000365187265	555505445	/nfs/dbraw/zinc/50/54/45/555505445.db2.gz	RIUDYVSVPWBCQS-QWHCGFSZSA-N	1	1	366.368	2.144	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)c(F)c1)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000365234963	555519053	/nfs/dbraw/zinc/51/90/53/555519053.db2.gz	QZOBZXGDGHPSGY-UHFFFAOYSA-N	1	1	358.461	2.216	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCN(c2ccccn2)CC1	ZINC000365767688	555663166	/nfs/dbraw/zinc/66/31/66/555663166.db2.gz	YQMUHYNOVCAONL-UHFFFAOYSA-N	1	1	363.465	2.170	20	30		FEEDMO
CCN1C(=O)N=NC1C1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000366149250	555765828	/nfs/dbraw/zinc/76/58/28/555765828.db2.gz	WERDCKDPDRUILW-CYBMUJFWSA-N	1	1	368.441	2.082	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)ccc1F	ZINC000366203496	555781033	/nfs/dbraw/zinc/78/10/33/555781033.db2.gz	KSTWGUIQKKSQMG-XLIONFOSSA-N	1	1	367.424	2.310	20	30		FEEDMO
N#Cc1ccc(C[C@H](C#N)C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1	ZINC000366206865	555782194	/nfs/dbraw/zinc/78/21/94/555782194.db2.gz	ZIKCVVQQFXTQOO-CZYKHXBRSA-N	1	1	370.456	2.487	20	30		FEEDMO
N#Cc1cccc(-n2ccc(C(=O)N3CC[NH+]([C@H]4CCSC4)CC3)n2)c1	ZINC000366967570	555984928	/nfs/dbraw/zinc/98/49/28/555984928.db2.gz	YLUILKKKNKHJFZ-KRWDZBQOSA-N	1	1	367.478	2.007	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)N(C)C[C@@H](C)C#N)cc1	ZINC000367139987	556002063	/nfs/dbraw/zinc/00/20/63/556002063.db2.gz	BUPWKOAOLSZOEJ-KBPBESRZSA-N	1	1	361.471	2.168	20	30		FEEDMO
Cc1cc(C#N)nc(N(C)[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1	ZINC000367333456	556020903	/nfs/dbraw/zinc/02/09/03/556020903.db2.gz	RONHAHSTDXEUAR-QFBILLFUSA-N	1	1	351.454	2.382	20	30		FEEDMO
Cc1cc(C#N)nc(N(C)[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1	ZINC000367333456	556020907	/nfs/dbraw/zinc/02/09/07/556020907.db2.gz	RONHAHSTDXEUAR-QFBILLFUSA-N	1	1	351.454	2.382	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@]2(C#N)CCc3ccccc3C2)C1	ZINC000367569722	556085752	/nfs/dbraw/zinc/08/57/52/556085752.db2.gz	KHOVIGZFQAGSLS-TZIWHRDSSA-N	1	1	355.482	2.158	20	30		FEEDMO
CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sccc1C#N	ZINC000367833911	556150568	/nfs/dbraw/zinc/15/05/68/556150568.db2.gz	TVWDPIADEGXJLL-CQSZACIVSA-N	1	1	369.512	2.238	20	30		FEEDMO
CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N	ZINC000367833911	556150570	/nfs/dbraw/zinc/15/05/70/556150570.db2.gz	TVWDPIADEGXJLL-CQSZACIVSA-N	1	1	369.512	2.238	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](CC(N)=O)C2)ccc1Cl	ZINC000367982842	556187031	/nfs/dbraw/zinc/18/70/31/556187031.db2.gz	LSRVWXKCARIWJE-AWEZNQCLSA-N	1	1	362.861	2.092	20	30		FEEDMO
C=C(Cl)CNC(=O)c1nnn(-c2cccc3c2CC[N@H+](CC)C3)c1C	ZINC000368525216	556335201	/nfs/dbraw/zinc/33/52/01/556335201.db2.gz	BXGNGMSVPRQZIH-UHFFFAOYSA-N	1	1	359.861	2.436	20	30		FEEDMO
C=C(C)[C@@H]([NH2+]CC(=O)N[C@H](C(=O)OC)C(C)C)c1ccc(F)c(F)c1	ZINC000515505952	562013507	/nfs/dbraw/zinc/01/35/07/562013507.db2.gz	ZMXQWNMZOGDLLP-SJORKVTESA-N	1	1	354.397	2.485	20	30		FEEDMO
CCCN1CC[NH+](C2CCN(C(=O)c3cccc(F)c3C#N)CC2)CC1	ZINC000368798230	556415637	/nfs/dbraw/zinc/41/56/37/556415637.db2.gz	DZNWELLHPNQMQZ-UHFFFAOYSA-N	1	1	358.461	2.330	20	30		FEEDMO
C[C@]1([C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3Cl)C2)NC(=O)NC1=O	ZINC000368893576	556440864	/nfs/dbraw/zinc/44/08/64/556440864.db2.gz	CNDHXOABSMOMHE-APPDUMDISA-N	1	1	364.808	2.161	20	30		FEEDMO
C[C@]1([C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C2)NC(=O)NC1=O	ZINC000368893576	556440866	/nfs/dbraw/zinc/44/08/66/556440866.db2.gz	CNDHXOABSMOMHE-APPDUMDISA-N	1	1	364.808	2.161	20	30		FEEDMO
Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ccc1C#N	ZINC000368912586	556446656	/nfs/dbraw/zinc/44/66/56/556446656.db2.gz	IGTDZQWKMRHINQ-HKUYNNGSSA-N	1	1	370.478	2.233	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(C(=O)CSc3ccc(C#N)cc3)CC2)CCO1	ZINC000368960643	556460383	/nfs/dbraw/zinc/46/03/83/556460383.db2.gz	PGKFLRAYMTWUSV-OAHLLOKOSA-N	1	1	359.495	2.362	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1	ZINC000368999730	556472324	/nfs/dbraw/zinc/47/23/24/556472324.db2.gz	GEXIKKJXYQIWGX-OAHLLOKOSA-N	1	1	368.397	2.329	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000369064122	556494381	/nfs/dbraw/zinc/49/43/81/556494381.db2.gz	LYTZYQVDMPERPS-HNNXBMFYSA-N	1	1	356.470	2.341	20	30		FEEDMO
CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000369517208	556617731	/nfs/dbraw/zinc/61/77/31/556617731.db2.gz	MAUCZPMZPVAQSY-TZIWHRDSSA-N	1	1	374.529	2.298	20	30		FEEDMO
Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)n1	ZINC000369899688	556725291	/nfs/dbraw/zinc/72/52/91/556725291.db2.gz	JHDDTEBXRRGZMP-LJQANCHMSA-N	1	1	363.465	2.454	20	30		FEEDMO
Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)n1	ZINC000369899688	556725294	/nfs/dbraw/zinc/72/52/94/556725294.db2.gz	JHDDTEBXRRGZMP-LJQANCHMSA-N	1	1	363.465	2.454	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)CC2)o1	ZINC000370016493	556758485	/nfs/dbraw/zinc/75/84/85/556758485.db2.gz	BKVAIACSCUNEPC-INIZCTEOSA-N	1	1	371.485	2.204	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1	ZINC000516752782	562056402	/nfs/dbraw/zinc/05/64/02/562056402.db2.gz	GWMUBZOUTISYPH-KRWDZBQOSA-N	1	1	353.426	2.034	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c(C#N)c1C	ZINC000370409118	556864600	/nfs/dbraw/zinc/86/46/00/556864600.db2.gz	BBTVNPUFZRWEAA-DJJJIMSYSA-N	1	1	358.442	2.039	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c(C#N)c1C	ZINC000370409118	556864605	/nfs/dbraw/zinc/86/46/05/556864605.db2.gz	BBTVNPUFZRWEAA-DJJJIMSYSA-N	1	1	358.442	2.039	20	30		FEEDMO
C=CCC[C@@H](O)C[N@@H+]1CCCN(Cc2nc([C@@H](C)OCC)no2)CC1	ZINC000370494443	556889712	/nfs/dbraw/zinc/88/97/12/556889712.db2.gz	DRKXSFREHJHDTF-HZPDHXFCSA-N	1	1	352.479	2.002	20	30		FEEDMO
COc1ccc(C#N)cc1C[NH+]1CCC(NC(=O)c2cc(C)on2)CC1	ZINC000370814684	556976584	/nfs/dbraw/zinc/97/65/84/556976584.db2.gz	NRRKXRPYQQHYEN-UHFFFAOYSA-N	1	1	354.410	2.258	20	30		FEEDMO
N#C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCN1C1CC1	ZINC000370990707	557037975	/nfs/dbraw/zinc/03/79/75/557037975.db2.gz	IGVNHTFQZUOUPE-PXNSSMCTSA-N	1	1	370.472	2.236	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000371052343	557059344	/nfs/dbraw/zinc/05/93/44/557059344.db2.gz	IAOABCSXRWBCQL-FHWLQOOXSA-N	1	1	356.470	2.188	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@@H]21	ZINC000371505385	557203337	/nfs/dbraw/zinc/20/33/37/557203337.db2.gz	IXDNJDMMVNYEGN-OCCSQVGLSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)COc1ccc(C#N)cc1	ZINC000371655041	557252553	/nfs/dbraw/zinc/25/25/53/557252553.db2.gz	YCVKUVPHQCEHJG-OXQOHEQNSA-N	1	1	364.449	2.359	20	30		FEEDMO
Cc1c(Cl)cnc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)c1C#N	ZINC000371691549	557264306	/nfs/dbraw/zinc/26/43/06/557264306.db2.gz	AYZHMGGGNQUDBX-UHFFFAOYSA-N	1	1	361.877	2.414	20	30		FEEDMO
COC(=O)c1coc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1	ZINC000371959241	557340172	/nfs/dbraw/zinc/34/01/72/557340172.db2.gz	JGWIYXFBCGVBQN-UHFFFAOYSA-N	1	1	367.405	2.354	20	30		FEEDMO
CCN1C(=O)N=NC1C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000372013812	557356103	/nfs/dbraw/zinc/35/61/03/557356103.db2.gz	QUSJUBMKZKJVPP-ZDUSSCGKSA-N	1	1	368.441	2.082	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](OCc2csc(C)n2)C1	ZINC000372282243	557429006	/nfs/dbraw/zinc/42/90/06/557429006.db2.gz	LYSOWKVSQFNQEV-CJNGLKHVSA-N	1	1	350.488	2.051	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](OCc2csc(C)n2)C1	ZINC000372282243	557429008	/nfs/dbraw/zinc/42/90/08/557429008.db2.gz	LYSOWKVSQFNQEV-CJNGLKHVSA-N	1	1	350.488	2.051	20	30		FEEDMO
C=C[C@H](CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1	ZINC000372293402	557431724	/nfs/dbraw/zinc/43/17/24/557431724.db2.gz	ICFUAJAIEKRMHX-GOSISDBHSA-N	1	1	369.509	2.359	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CCN(c2cc(C)nc(C)n2)CC1	ZINC000372715902	557545157	/nfs/dbraw/zinc/54/51/57/557545157.db2.gz	KTXIUJCSJVKQQY-OAHLLOKOSA-N	1	1	372.517	2.002	20	30		FEEDMO
N#Cc1cccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000372728951	557548584	/nfs/dbraw/zinc/54/85/84/557548584.db2.gz	JZAGAZPNEVRTEM-AZUAARDMSA-N	1	1	352.482	2.123	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1	ZINC000372761805	557557067	/nfs/dbraw/zinc/55/70/67/557557067.db2.gz	OTEDYZZPOLBNFN-LPHOPBHVSA-N	1	1	351.454	2.413	20	30		FEEDMO
CN1C(=O)C[C@@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@H]1c1ccc(F)cc1	ZINC000372809807	557566785	/nfs/dbraw/zinc/56/67/85/557566785.db2.gz	JMCQYZOIZNADAV-RHSMWYFYSA-N	1	1	372.425	2.259	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1cccc(OCC#N)c1	ZINC000372863302	557577955	/nfs/dbraw/zinc/57/79/55/557577955.db2.gz	MNYJYVXIFRXMDB-LSTHTHJFSA-N	1	1	371.481	2.137	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2F)CC[N@H+](C2CCC2)C1	ZINC000519797478	562144189	/nfs/dbraw/zinc/14/41/89/562144189.db2.gz	AEGSNTZYGUGLJM-ZDUSSCGKSA-N	1	1	351.447	2.192	20	30		FEEDMO
CC(C)NC(=O)C[N@@H+]1CCCN(Cc2ccc(F)c(C#N)c2Cl)CC1	ZINC000373039105	557615062	/nfs/dbraw/zinc/61/50/62/557615062.db2.gz	ZJRXELNPBIJLAN-UHFFFAOYSA-N	1	1	366.868	2.383	20	30		FEEDMO
CC(C)NC(=O)C[N@H+]1CCCN(Cc2ccc(F)c(C#N)c2Cl)CC1	ZINC000373039105	557615064	/nfs/dbraw/zinc/61/50/64/557615064.db2.gz	ZJRXELNPBIJLAN-UHFFFAOYSA-N	1	1	366.868	2.383	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000373138673	557636367	/nfs/dbraw/zinc/63/63/67/557636367.db2.gz	LFIWLFJJCYTXHI-ICSRJNTNSA-N	1	1	370.497	2.037	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1	ZINC000373474176	557700498	/nfs/dbraw/zinc/70/04/98/557700498.db2.gz	WXDKPEHIXUCFFJ-MRXNPFEDSA-N	1	1	369.465	2.112	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000520847493	562164985	/nfs/dbraw/zinc/16/49/85/562164985.db2.gz	DLPAYBYNHDUFKH-DOMZBBRYSA-N	1	1	351.834	2.193	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1	ZINC000520847493	562164986	/nfs/dbraw/zinc/16/49/86/562164986.db2.gz	DLPAYBYNHDUFKH-DOMZBBRYSA-N	1	1	351.834	2.193	20	30		FEEDMO
CC[C@H]1CN(C(=O)/C=C/c2ccc(OCC#N)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000374162885	557835079	/nfs/dbraw/zinc/83/50/79/557835079.db2.gz	RVDPQKWUZCXEDS-OUXAZZEQSA-N	1	1	369.465	2.171	20	30		FEEDMO
CC(C)n1nc2c(cc1=O)C[N@H+](CCC(=O)Nc1ccccc1C#N)CC2	ZINC000374235808	557848350	/nfs/dbraw/zinc/84/83/50/557848350.db2.gz	QSJXCFPJTGQLTC-UHFFFAOYSA-N	1	1	365.437	2.083	20	30		FEEDMO
CN(C(=O)NCC1CCC(C#N)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000374242457	557849392	/nfs/dbraw/zinc/84/93/92/557849392.db2.gz	XEWKRPHECZNGRO-TVPLGVNVSA-N	1	1	361.534	2.126	20	30		FEEDMO
CN(C(=O)NCC1CCC(C#N)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000374242457	557849395	/nfs/dbraw/zinc/84/93/95/557849395.db2.gz	XEWKRPHECZNGRO-TVPLGVNVSA-N	1	1	361.534	2.126	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1	ZINC000374307721	557862862	/nfs/dbraw/zinc/86/28/62/557862862.db2.gz	IGHOHYZXQNQWOH-ROUUACIJSA-N	1	1	365.433	2.160	20	30		FEEDMO
COC(=O)[C@]12CCC[C@@H]1C[N@H+]([C@H]1CCN(c3sccc3C#N)C1=O)C2	ZINC000374645886	557911431	/nfs/dbraw/zinc/91/14/31/557911431.db2.gz	KCKWEICNXAZWBF-GLJUWKHASA-N	1	1	359.451	2.000	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O	ZINC000375311972	558007548	/nfs/dbraw/zinc/00/75/48/558007548.db2.gz	ZGPLNJXCBFTNQD-SPLOXXLWSA-N	1	1	360.417	2.481	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1CCc2n[nH]nc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375444864	558028458	/nfs/dbraw/zinc/02/84/58/558028458.db2.gz	ZZWVIVIZBYEKLF-MSOLQXFVSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1CCc2[nH]nnc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000375444864	558028459	/nfs/dbraw/zinc/02/84/59/558028459.db2.gz	ZZWVIVIZBYEKLF-MSOLQXFVSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1CCc2[nH]nnc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375444864	558028460	/nfs/dbraw/zinc/02/84/60/558028460.db2.gz	ZZWVIVIZBYEKLF-MSOLQXFVSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1CCc2nn[nH]c2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000375444864	558028461	/nfs/dbraw/zinc/02/84/61/558028461.db2.gz	ZZWVIVIZBYEKLF-MSOLQXFVSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1CCc2nn[nH]c2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375444864	558028462	/nfs/dbraw/zinc/02/84/62/558028462.db2.gz	ZZWVIVIZBYEKLF-MSOLQXFVSA-N	1	1	365.481	2.199	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)C1=O	ZINC000375605874	558056025	/nfs/dbraw/zinc/05/60/25/558056025.db2.gz	FVWWXOZXZNEYPZ-IAGOWNOFSA-N	1	1	351.454	2.438	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+]([C@@H]3CCCN(c4cccc(F)c4)C3=O)CC2)n1	ZINC000375926755	558100816	/nfs/dbraw/zinc/10/08/16/558100816.db2.gz	IVDKFTCXMQDVNB-QGZVFWFLSA-N	1	1	368.416	2.121	20	30		FEEDMO
Cc1ccccc1C[NH+]1CCN(CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000521821152	562184048	/nfs/dbraw/zinc/18/40/48/562184048.db2.gz	YRLSUTYGDBZRDY-UHFFFAOYSA-N	1	1	362.477	2.301	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000376837119	558227865	/nfs/dbraw/zinc/22/78/65/558227865.db2.gz	ROAWPSMZMPSBLF-NVXWUHKLSA-N	1	1	358.442	2.141	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1	ZINC000377427112	558338357	/nfs/dbraw/zinc/33/83/57/558338357.db2.gz	QAVKJJCVALIPOL-DLBZAZTESA-N	1	1	354.454	2.169	20	30		FEEDMO
C=CCN(C(=O)c1ccn(C)c(=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000377571708	558368172	/nfs/dbraw/zinc/36/81/72/558368172.db2.gz	DOMDFIIOAQYIID-LJQANCHMSA-N	1	1	351.450	2.288	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1	ZINC000378463437	558563170	/nfs/dbraw/zinc/56/31/70/558563170.db2.gz	QLTOTZZCIKUZED-PGRDOPGGSA-N	1	1	368.525	2.075	20	30		FEEDMO
COCCn1cc2c(n1)[C@H]([NH2+]Cc1cnc3ccc(C#N)cn13)CCC2	ZINC000378556496	558582118	/nfs/dbraw/zinc/58/21/18/558582118.db2.gz	ALEQVFQGCRRWIB-QGZVFWFLSA-N	1	1	350.426	2.216	20	30		FEEDMO
C=CCOCCNC(=O)N[C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C	ZINC000378559764	558582949	/nfs/dbraw/zinc/58/29/49/558582949.db2.gz	LVAQSRVMPYZUGO-BBRMVZONSA-N	1	1	352.504	2.164	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](n3cc4ccccc4n3)C2)cc1	ZINC000378568691	558585541	/nfs/dbraw/zinc/58/55/41/558585541.db2.gz	OVKSZVDAPBJHPI-IBGZPJMESA-N	1	1	359.433	2.471	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)C1(C#N)CCCCC1	ZINC000408129715	558649634	/nfs/dbraw/zinc/64/96/34/558649634.db2.gz	BDHRVTSVOYOUJN-QGZVFWFLSA-N	1	1	360.502	2.006	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1	ZINC000408288364	558664239	/nfs/dbraw/zinc/66/42/39/558664239.db2.gz	XKIJDSMFHFQQST-SZMVWBNQSA-N	1	1	355.486	2.077	20	30		FEEDMO
N#Cc1ccc(OCCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1	ZINC000525262199	562244302	/nfs/dbraw/zinc/24/43/02/562244302.db2.gz	YSHZGQNUCCYLOM-LJQANCHMSA-N	1	1	364.449	2.360	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)Cc1nc(N)nc(Nc2ccc(F)cc2)n1	ZINC000411642291	558934755	/nfs/dbraw/zinc/93/47/55/558934755.db2.gz	MQJVCJSMNVBNBW-UHFFFAOYSA-N	1	1	359.453	2.276	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)CC(=O)N1c2ccccc2NC(=O)C1(C)C	ZINC000411644271	558934814	/nfs/dbraw/zinc/93/48/14/558934814.db2.gz	QXOWCWCWZOUOSP-UHFFFAOYSA-N	1	1	358.486	2.190	20	30		FEEDMO
COC(=O)c1cc(C(C)(C)[NH2+]CCC(=O)Nc2ccccc2C#N)no1	ZINC000411752399	558956661	/nfs/dbraw/zinc/95/66/61/558956661.db2.gz	OFEVFKHBHQHGQP-UHFFFAOYSA-N	1	1	356.382	2.186	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](C(=O)N(C)C)C2)c1	ZINC000411954843	558994276	/nfs/dbraw/zinc/99/42/76/558994276.db2.gz	PUDHAKBAAOASFL-ROUUACIJSA-N	1	1	370.497	2.349	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c1	ZINC000411967359	558996902	/nfs/dbraw/zinc/99/69/02/558996902.db2.gz	MUNLVCQCKBMTAI-NRFANRHFSA-N	1	1	362.433	2.016	20	30		FEEDMO
COCC(COC)[NH+]1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1	ZINC000413471648	559110521	/nfs/dbraw/zinc/11/05/21/559110521.db2.gz	FMHFAWRWRZAKRJ-UHFFFAOYSA-N	1	1	354.454	2.198	20	30		FEEDMO
C[C@@H](C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[NH+]1CCSCC1	ZINC000526122005	562267471	/nfs/dbraw/zinc/26/74/71/562267471.db2.gz	SXYQJWRUWJJAGF-OOHWJJMZSA-N	1	1	374.510	2.197	20	30		FEEDMO
C[C@@H](C#N)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000416399233	559310158	/nfs/dbraw/zinc/31/01/58/559310158.db2.gz	OGHFTFDQAYFGBS-FZMZJTMJSA-N	1	1	361.389	2.111	20	30		FEEDMO
C[C@@H](C#N)S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000416399233	559310159	/nfs/dbraw/zinc/31/01/59/559310159.db2.gz	OGHFTFDQAYFGBS-FZMZJTMJSA-N	1	1	361.389	2.111	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1C#N	ZINC000416931499	559338995	/nfs/dbraw/zinc/33/89/95/559338995.db2.gz	LQNYWBBAMJWZRY-CABCVRRESA-N	1	1	360.458	2.264	20	30		FEEDMO
C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000417174089	559351342	/nfs/dbraw/zinc/35/13/42/559351342.db2.gz	IDCGPVZRCDDXDO-STQMWFEESA-N	1	1	350.850	2.325	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000417174089	559351343	/nfs/dbraw/zinc/35/13/43/559351343.db2.gz	IDCGPVZRCDDXDO-STQMWFEESA-N	1	1	350.850	2.325	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCCC3(O)CCC3)CC2)cc1	ZINC000420874254	559508698	/nfs/dbraw/zinc/50/86/98/559508698.db2.gz	IWOACNLSDJQFAU-UHFFFAOYSA-N	1	1	370.497	2.471	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)CC1	ZINC000420943272	559513250	/nfs/dbraw/zinc/51/32/50/559513250.db2.gz	ICZXIHTUPAUKNQ-JKSUJKDBSA-N	1	1	374.451	2.343	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCNC(=O)[C@H]2CC2CCCCC2)cc1	ZINC000421035223	559521188	/nfs/dbraw/zinc/52/11/88/559521188.db2.gz	HWSYCMWEDRACDV-AZUAARDMSA-N	1	1	371.481	2.069	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCNC(=O)[C@H]2CC2CCCCC2)cc1	ZINC000421035223	559521189	/nfs/dbraw/zinc/52/11/89/559521189.db2.gz	HWSYCMWEDRACDV-AZUAARDMSA-N	1	1	371.481	2.069	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000422071209	559563715	/nfs/dbraw/zinc/56/37/15/559563715.db2.gz	MGVISYPJBIYUDN-GUDVDZBRSA-N	1	1	355.482	2.033	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1	ZINC000422409987	559586180	/nfs/dbraw/zinc/58/61/80/559586180.db2.gz	FQYCLGLBEIZLOK-JQHSSLGASA-N	1	1	355.482	2.031	20	30		FEEDMO
C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)n1cccn1	ZINC000424566434	559669528	/nfs/dbraw/zinc/66/95/28/559669528.db2.gz	PWIUZNQPFFIQCU-QGZVFWFLSA-N	1	1	351.454	2.440	20	30		FEEDMO
C=CCC1(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCOCC1	ZINC000424635149	559671770	/nfs/dbraw/zinc/67/17/70/559671770.db2.gz	ZFKQGNQVBOXEMU-KDURUIRLSA-N	1	1	363.546	2.376	20	30		FEEDMO
C=CCn1cc(CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)nn1	ZINC000424908238	559679777	/nfs/dbraw/zinc/67/97/77/559679777.db2.gz	NNZJLEZCFQGXQA-WIYYLYMNSA-N	1	1	365.481	2.383	20	30		FEEDMO
C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)[C@@H]2C1	ZINC000425204971	559691026	/nfs/dbraw/zinc/69/10/26/559691026.db2.gz	AVVIKNOJQDIXAG-DZGCQCFKSA-N	1	1	353.875	2.121	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C	ZINC000425386773	559699390	/nfs/dbraw/zinc/69/93/90/559699390.db2.gz	PUJKHXLCJSMHAI-VQIMIIECSA-N	1	1	370.497	2.410	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2	ZINC000425389021	559699719	/nfs/dbraw/zinc/69/97/19/559699719.db2.gz	TUJVVXUJLVGEBF-IERDGZPVSA-N	1	1	368.481	2.022	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000425889713	559724177	/nfs/dbraw/zinc/72/41/77/559724177.db2.gz	VHYYWUAXRSXDKM-YJBOKZPZSA-N	1	1	356.470	2.068	20	30		FEEDMO
N#Cc1ccc(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)o1	ZINC000429865937	559807439	/nfs/dbraw/zinc/80/74/39/559807439.db2.gz	LQYGHZFXRIQBND-UHFFFAOYSA-N	1	1	352.438	2.089	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@H+]1CCCC[C@H]1C	ZINC000434729777	559907851	/nfs/dbraw/zinc/90/78/51/559907851.db2.gz	ZEPKTUYUEXOHGI-CABCVRRESA-N	1	1	373.501	2.432	20	30		FEEDMO
CCN(CC)C(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000435416369	559922353	/nfs/dbraw/zinc/92/23/53/559922353.db2.gz	GQFROCJPMLFDFG-HNNXBMFYSA-N	1	1	356.470	2.466	20	30		FEEDMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)c2cc(C#N)oc2C)c1	ZINC000435679316	559927861	/nfs/dbraw/zinc/92/78/61/559927861.db2.gz	YCAZDVNCCDWMOB-UHFFFAOYSA-N	1	1	371.437	2.347	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)no1	ZINC000435878688	559931667	/nfs/dbraw/zinc/93/16/67/559931667.db2.gz	FDUQEOIZJNBQLS-CYBMUJFWSA-N	1	1	359.455	2.188	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)no1	ZINC000435878688	559931668	/nfs/dbraw/zinc/93/16/68/559931668.db2.gz	FDUQEOIZJNBQLS-CYBMUJFWSA-N	1	1	359.455	2.188	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c1	ZINC000436462841	559942038	/nfs/dbraw/zinc/94/20/38/559942038.db2.gz	VEJRTUZXJAAEAF-GOSISDBHSA-N	1	1	366.421	2.261	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N=c2ccn(CCC#N)[nH]2)C1	ZINC000438334686	559977513	/nfs/dbraw/zinc/97/75/13/559977513.db2.gz	MPMRZHSGGLLDLX-WBVHZDCISA-N	1	1	352.442	2.754	20	30		FEEDMO
CCCCOC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1	ZINC000438816286	559984185	/nfs/dbraw/zinc/98/41/85/559984185.db2.gz	BPIQLFUSRYZPHK-GOSISDBHSA-N	1	1	355.438	2.471	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C	ZINC000439455548	559994204	/nfs/dbraw/zinc/99/42/04/559994204.db2.gz	VGCDYBQVZUBHHS-INIZCTEOSA-N	1	1	372.469	2.132	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@](COC)(C(=O)OCC)C1	ZINC000439479463	559995236	/nfs/dbraw/zinc/99/52/36/559995236.db2.gz	SKDZLXDUEBXRPX-LPHOPBHVSA-N	1	1	354.491	2.091	20	30		FEEDMO
N#CC(CC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1)(c1ccccc1)c1ccccc1	ZINC000444668247	560117801	/nfs/dbraw/zinc/11/78/01/560117801.db2.gz	ZIPBKHBLDKFVCV-LJQANCHMSA-N	1	1	369.490	2.249	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1	ZINC000447820801	560170113	/nfs/dbraw/zinc/17/01/13/560170113.db2.gz	HZLVANMKAHRTAE-PKOBYXMFSA-N	1	1	361.482	2.425	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)COc1cccc(Br)c1C#N	ZINC000449840277	560242021	/nfs/dbraw/zinc/24/20/21/560242021.db2.gz	GIZBNOQPZDSJNQ-GFCCVEGCSA-N	1	1	366.259	2.110	20	30		FEEDMO
N#Cc1cccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-]	ZINC000450244071	560255372	/nfs/dbraw/zinc/25/53/72/560255372.db2.gz	UAPZESLBLJZYJG-QGZVFWFLSA-N	1	1	352.394	2.298	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000450372880	560260488	/nfs/dbraw/zinc/26/04/88/560260488.db2.gz	BBMQUBXHRKQDPJ-NFAWXSAZSA-N	1	1	374.872	2.116	20	30		FEEDMO
COc1cc(OC)c2ncc(C#N)c(NC[C@@H]3CCC[N@H+]3CCCO)c2c1	ZINC000450588522	560267214	/nfs/dbraw/zinc/26/72/14/560267214.db2.gz	BOEAFSYRDIDQRD-HNNXBMFYSA-N	1	1	370.453	2.382	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC3(CCC(O)CC3)CC2)c1	ZINC000451151159	560290130	/nfs/dbraw/zinc/29/01/30/560290130.db2.gz	APDSEESZIINZSM-UHFFFAOYSA-N	1	1	362.495	2.349	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](CC)CC(=O)OC(C)(C)C)CC1	ZINC000451160021	560290542	/nfs/dbraw/zinc/29/05/42/560290542.db2.gz	FIWJKDUQPRWFMB-SJORKVTESA-N	1	1	366.502	2.232	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](CC)CC(=O)OC(C)(C)C)CC1	ZINC000451160021	560290543	/nfs/dbraw/zinc/29/05/43/560290543.db2.gz	FIWJKDUQPRWFMB-SJORKVTESA-N	1	1	366.502	2.232	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451190189	560292357	/nfs/dbraw/zinc/29/23/57/560292357.db2.gz	KLXDBURKOZRBBQ-TZMCWYRMSA-N	1	1	353.875	2.263	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)CC1	ZINC000451403891	560304739	/nfs/dbraw/zinc/30/47/39/560304739.db2.gz	FHNUPDRDKFOXQQ-OAGGEKHMSA-N	1	1	374.451	2.342	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)(F)F)C[C@H]2C)CC1	ZINC000451403891	560304740	/nfs/dbraw/zinc/30/47/40/560304740.db2.gz	FHNUPDRDKFOXQQ-OAGGEKHMSA-N	1	1	374.451	2.342	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)CC1	ZINC000451540757	560313190	/nfs/dbraw/zinc/31/31/90/560313190.db2.gz	XFJNYFRQPZICMN-IBGZPJMESA-N	1	1	372.488	2.464	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccc(F)c(C#N)c3)C2)CC1	ZINC000451540759	560313349	/nfs/dbraw/zinc/31/33/49/560313349.db2.gz	XFJNYFRQPZICMN-LJQANCHMSA-N	1	1	372.488	2.464	20	30		FEEDMO
C[C@@H]1CN(Cc2ccc(Br)cc2C#N)C[C@H](C)[N@@H+]1CCO	ZINC000451666921	560320871	/nfs/dbraw/zinc/32/08/71/560320871.db2.gz	SQCAPTYQFWGDBP-BETUJISGSA-N	1	1	352.276	2.208	20	30		FEEDMO
C=CCn1c([C@H]2CCCO2)nnc1N1CC[N@H+](CCOCC)[C@H](CC)C1	ZINC000453412363	560386158	/nfs/dbraw/zinc/38/61/58/560386158.db2.gz	GOBPINICIGFJGA-IAGOWNOFSA-N	1	1	363.506	2.253	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000453573358	560389196	/nfs/dbraw/zinc/38/91/96/560389196.db2.gz	IMEDAKWTEHWFAH-GOSISDBHSA-N	1	1	362.433	2.196	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1)[N@@H+](C)C1CC1	ZINC000453659855	560394252	/nfs/dbraw/zinc/39/42/52/560394252.db2.gz	VZPQXZGKXVPIBI-ZDUSSCGKSA-N	1	1	372.469	2.273	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000453674671	560395751	/nfs/dbraw/zinc/39/57/51/560395751.db2.gz	ODVHLSURGRCCEO-CQSZACIVSA-N	1	1	362.861	2.145	20	30		FEEDMO
C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCC[N@H+]1C	ZINC000453698899	560397646	/nfs/dbraw/zinc/39/76/46/560397646.db2.gz	JRKUPMYIXWUQHO-BBRMVZONSA-N	1	1	372.469	2.273	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453714844	560398937	/nfs/dbraw/zinc/39/89/37/560398937.db2.gz	QSHFJLRXDZKOON-GJZGRUSLSA-N	1	1	374.872	2.430	20	30		FEEDMO
C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC[N@H+](C2CCC2)C1	ZINC000453768152	560402822	/nfs/dbraw/zinc/40/28/22/560402822.db2.gz	UFUXNDDRDHHDMV-OAHLLOKOSA-N	1	1	354.454	2.024	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000454049625	560424915	/nfs/dbraw/zinc/42/49/15/560424915.db2.gz	CNTDSFXSSYSFHK-QFBILLFUSA-N	1	1	373.497	2.300	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C	ZINC000454532742	560448525	/nfs/dbraw/zinc/44/85/25/560448525.db2.gz	ZBHPTWICRYAILW-XDNAFOTISA-N	1	1	353.507	2.156	20	30		FEEDMO
C=CC(C)(C)CNC(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000455380028	560480213	/nfs/dbraw/zinc/48/02/13/560480213.db2.gz	FTFGEMMODRMDDM-CALCHBBNSA-N	1	1	367.534	2.498	20	30		FEEDMO
C=CC(C)(C)CNC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000455380028	560480214	/nfs/dbraw/zinc/48/02/14/560480214.db2.gz	FTFGEMMODRMDDM-CALCHBBNSA-N	1	1	367.534	2.498	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(C#N)c(F)c1	ZINC000455550395	560486678	/nfs/dbraw/zinc/48/66/78/560486678.db2.gz	VZCAOTSFMZRORK-AWEZNQCLSA-N	1	1	360.433	2.092	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3CC[N@H+](CC)C[C@H]3CC)cc2C1=O	ZINC000456346726	560516420	/nfs/dbraw/zinc/51/64/20/560516420.db2.gz	JDMNGKHDDDQMRT-OAHLLOKOSA-N	1	1	355.438	2.025	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)N[C@H]2CC[C@@H](CC#N)C2)CC1	ZINC000459004513	560661268	/nfs/dbraw/zinc/66/12/68/560661268.db2.gz	GQFWJZMSUXUVTL-RDGPPVDQSA-N	1	1	361.534	2.269	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1	ZINC000459006950	560661488	/nfs/dbraw/zinc/66/14/88/560661488.db2.gz	JFCGQOYWKONRRN-OJAHFUOMSA-N	1	1	370.497	2.251	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000459257790	560676517	/nfs/dbraw/zinc/67/65/17/560676517.db2.gz	KOROTWYWFAFNNR-ROUUACIJSA-N	1	1	358.486	2.108	20	30		FEEDMO
N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1	ZINC000461482733	560773686	/nfs/dbraw/zinc/77/36/86/560773686.db2.gz	SBFWOPNIZREIHS-RTBURBONSA-N	1	1	372.488	2.389	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CCC[C@H]3C#N)cc2)CC1	ZINC000461943024	560789110	/nfs/dbraw/zinc/78/91/10/560789110.db2.gz	VNDIKJHULVAGLX-PMACEKPBSA-N	1	1	369.513	2.316	20	30		FEEDMO
N#CCc1ccc(CN2C(=O)N[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1	ZINC000466355733	560884844	/nfs/dbraw/zinc/88/48/44/560884844.db2.gz	JYOYCLVFQIENSL-QFIPXVFZSA-N	1	1	374.444	2.449	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H]1C	ZINC000469855080	560966741	/nfs/dbraw/zinc/96/67/41/560966741.db2.gz	UFMRUCVCHWWPRP-DLBZAZTESA-N	1	1	357.454	2.434	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H]1C	ZINC000469855080	560966742	/nfs/dbraw/zinc/96/67/42/560966742.db2.gz	UFMRUCVCHWWPRP-DLBZAZTESA-N	1	1	357.454	2.434	20	30		FEEDMO
Cn1cc(C#N)cc1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000469858182	560966863	/nfs/dbraw/zinc/96/68/63/560966863.db2.gz	CCYYVRSUEYGXJH-KRWDZBQOSA-N	1	1	354.479	2.244	20	30		FEEDMO
Cn1cc(C#N)cc1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000469858182	560966864	/nfs/dbraw/zinc/96/68/64/560966864.db2.gz	CCYYVRSUEYGXJH-KRWDZBQOSA-N	1	1	354.479	2.244	20	30		FEEDMO
Cn1ncc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1C#N	ZINC000476240019	561114311	/nfs/dbraw/zinc/11/43/11/561114311.db2.gz	RXZMLHBBMUSOIK-NRFANRHFSA-N	1	1	363.465	2.420	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C	ZINC000528399344	562326794	/nfs/dbraw/zinc/32/67/94/562326794.db2.gz	VVWVPUYUAXVJRG-DLBZAZTESA-N	1	1	353.466	2.091	20	30		FEEDMO
C[N@H+](C[C@H](O)COc1ccccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000528414339	562327809	/nfs/dbraw/zinc/32/78/09/562327809.db2.gz	ADRZIEJLUYYKNQ-RBUKOAKNSA-N	1	1	365.433	2.035	20	30		FEEDMO
C[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000528414339	562327810	/nfs/dbraw/zinc/32/78/10/562327810.db2.gz	ADRZIEJLUYYKNQ-RBUKOAKNSA-N	1	1	365.433	2.035	20	30		FEEDMO
C[C@H]1[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)CCC12CCOCC2	ZINC000528447189	562329805	/nfs/dbraw/zinc/32/98/05/562329805.db2.gz	XGURWPKLEUYNQV-MRXNPFEDSA-N	1	1	352.434	2.177	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1	ZINC000528554950	562336043	/nfs/dbraw/zinc/33/60/43/562336043.db2.gz	MVKBTEPUGVBNHZ-PCCBWWKXSA-N	1	1	366.461	2.396	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@](O)(c2ccccc2)C1	ZINC000528658513	562340606	/nfs/dbraw/zinc/34/06/06/562340606.db2.gz	PQYKBMBJYVWPSK-CTNGQTDRSA-N	1	1	352.434	2.282	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)C2=O)cc1	ZINC000528785658	562347776	/nfs/dbraw/zinc/34/77/76/562347776.db2.gz	SZQDDFRFEKWSQP-DARXCPHJSA-N	1	1	357.479	2.039	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H]4CC[C@@H](C3)[S@]4=O)C2=O)cc1	ZINC000528785658	562347777	/nfs/dbraw/zinc/34/77/77/562347777.db2.gz	SZQDDFRFEKWSQP-DARXCPHJSA-N	1	1	357.479	2.039	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)cc1	ZINC000529357343	562370856	/nfs/dbraw/zinc/37/08/56/562370856.db2.gz	LQDSDAKLBMMCAL-IBGZPJMESA-N	1	1	367.497	2.060	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000531012694	562431917	/nfs/dbraw/zinc/43/19/17/562431917.db2.gz	HIXHSHJULDEJMD-WFASDCNBSA-N	1	1	362.861	2.481	20	30		FEEDMO
COc1cccc(C[C@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)c1	ZINC000531588523	562450814	/nfs/dbraw/zinc/45/08/14/562450814.db2.gz	XJHOMFKIEVOXBD-GOSISDBHSA-N	1	1	354.454	2.358	20	30		FEEDMO
C=CCCOCCNC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000534518316	562535727	/nfs/dbraw/zinc/53/57/27/562535727.db2.gz	MWQGZVRBRGDITJ-MJGOQNOKSA-N	1	1	361.486	2.168	20	30		FEEDMO
C=CCCOCCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000534518316	562535728	/nfs/dbraw/zinc/53/57/28/562535728.db2.gz	MWQGZVRBRGDITJ-MJGOQNOKSA-N	1	1	361.486	2.168	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCNC1=O	ZINC000534662419	562539691	/nfs/dbraw/zinc/53/96/91/562539691.db2.gz	UNPLAJPABKGAOL-CQSZACIVSA-N	1	1	360.483	2.038	20	30		FEEDMO
C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN(CCC#N)CCC#N)CC1	ZINC000534833605	562543425	/nfs/dbraw/zinc/54/34/25/562543425.db2.gz	PAEGHQHOTSSCNA-SFHVURJKSA-N	1	1	353.470	2.021	20	30		FEEDMO
N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)s1	ZINC000536434014	562575381	/nfs/dbraw/zinc/57/53/81/562575381.db2.gz	UNPPWLCGCGNVIW-DOTOQJQBSA-N	1	1	355.463	2.233	20	30		FEEDMO
COc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000541050467	562601527	/nfs/dbraw/zinc/60/15/27/562601527.db2.gz	AOPUDUSCCQFUBP-MRXNPFEDSA-N	1	1	359.813	2.482	20	30		FEEDMO
C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000602595822	567999553	/nfs/dbraw/zinc/99/95/53/567999553.db2.gz	DDBRPCXCKLXLEI-XLIONFOSSA-N	1	1	357.498	2.442	20	30		FEEDMO
C[C@H]1CN(CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)N1CC#N	ZINC000602849390	568000983	/nfs/dbraw/zinc/00/09/83/568000983.db2.gz	LAZCYVACKSJYSM-PMACEKPBSA-N	1	1	355.530	2.117	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1	ZINC000602857621	568002773	/nfs/dbraw/zinc/00/27/73/568002773.db2.gz	UJEKOEDNZPUTHO-ZIFCJYIRSA-N	1	1	373.497	2.082	20	30		FEEDMO
N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](Oc3cncc(Br)c3)C2)CC1	ZINC000602886102	568005769	/nfs/dbraw/zinc/00/57/69/568005769.db2.gz	JCAZKSRLLRWFRA-ZIAGYGMSSA-N	1	1	366.259	2.352	20	30		FEEDMO
N#CC1(CCC[N@@H+](CCN2CCOCC2)[C@H]2CCSC2)CCOCC1	ZINC000602892486	568007491	/nfs/dbraw/zinc/00/74/91/568007491.db2.gz	RVVFTZSGTLIBST-SFHVURJKSA-N	1	1	367.559	2.227	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(Oc2ccccc2F)CC1	ZINC000602942933	568022027	/nfs/dbraw/zinc/02/20/27/568022027.db2.gz	NBGZMBGVVQLBCW-UHFFFAOYSA-N	1	1	358.417	2.325	20	30		FEEDMO
C[C@@H](c1ccc(NC(=O)N2CCN(CCC#N)CC2)cc1)[NH+]1CCOCC1	ZINC000602835930	568050291	/nfs/dbraw/zinc/05/02/91/568050291.db2.gz	ALDRZJFTVHJPGY-KRWDZBQOSA-N	1	1	371.485	2.143	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C[C@@H](C)N1CC#N	ZINC000603088218	568059403	/nfs/dbraw/zinc/05/94/03/568059403.db2.gz	DWVLKYQWIPOOLW-HUUCEWRRSA-N	1	1	365.481	2.214	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C[C@@H](C)N1CC#N	ZINC000603088218	568059404	/nfs/dbraw/zinc/05/94/04/568059404.db2.gz	DWVLKYQWIPOOLW-HUUCEWRRSA-N	1	1	365.481	2.214	20	30		FEEDMO
CN(CCC#N)S(=O)(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1	ZINC000603631482	568128019	/nfs/dbraw/zinc/12/80/19/568128019.db2.gz	GCJFNUZZIBIFRM-MRXNPFEDSA-N	1	1	370.906	2.157	20	30		FEEDMO
CC(C)(C)C[N@@H+](CCO)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000609483510	568341179	/nfs/dbraw/zinc/34/11/79/568341179.db2.gz	QIDDXYVBDBCAIZ-UHFFFAOYSA-N	1	1	355.442	2.023	20	30		FEEDMO
CCOCCC[N@H+]1CCC(=NNCc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1	ZINC000821377817	607253983	/nfs/dbraw/zinc/25/39/83/607253983.db2.gz	FDTJIRWDWJGWRM-HNNXBMFYSA-N	1	1	371.489	2.081	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)c(F)c1	ZINC000737718181	598256654	/nfs/dbraw/zinc/25/66/54/598256654.db2.gz	KSVVZPNKFIYYRL-UHFFFAOYSA-N	1	1	363.400	2.200	20	30		FEEDMO
C[C@@H]1C(N=Nc2ccccc2S(N)(=O)=O)CC[N@H+]1Cc1ccccc1	ZINC000811649716	674618745	/nfs/dbraw/zinc/61/87/45/674618745.db2.gz	VWCDSHRUSKCMHI-CQSZACIVSA-N	1	1	358.467	2.396	20	30		FEEDMO
C#C[C@@H](NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(Cl)cc1	ZINC000811904771	674637651	/nfs/dbraw/zinc/63/76/51/674637651.db2.gz	MRHZIIUNXVPWTR-MAUKXSAKSA-N	1	1	362.905	2.340	20	30		FEEDMO
CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000562547767	674768401	/nfs/dbraw/zinc/76/84/01/674768401.db2.gz	CXHXMLQVGBCHNA-HUUCEWRRSA-N	1	1	363.483	2.221	20	30		FEEDMO
COC(=O)[C@H]([NH2+]CCCC1(C#N)CCOCC1)[C@@H]1CCC[C@H](OC)C1	ZINC000563220715	674859657	/nfs/dbraw/zinc/85/96/57/674859657.db2.gz	BUTFZVSCQVXTBM-IXDOHACOSA-N	1	1	352.475	2.423	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F	ZINC000815083023	674914516	/nfs/dbraw/zinc/91/45/16/674914516.db2.gz	LMLYDORCPDVTLA-UHFFFAOYSA-N	1	1	352.353	2.078	20	30		FEEDMO
CC(C)[N@@H+]1CCO[C@H](COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1	ZINC000816016681	674997656	/nfs/dbraw/zinc/99/76/56/674997656.db2.gz	XJUFMCLUKDIBSU-ZDUSSCGKSA-N	1	1	357.332	2.238	20	30		FEEDMO
CC(C)[N@H+]1CCO[C@H](COC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1	ZINC000816016681	674997658	/nfs/dbraw/zinc/99/76/58/674997658.db2.gz	XJUFMCLUKDIBSU-ZDUSSCGKSA-N	1	1	357.332	2.238	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@@H]2C1	ZINC001049111469	675023435	/nfs/dbraw/zinc/02/34/35/675023435.db2.gz	RUQLLNVNLANMTA-MVJTYMMSSA-N	1	1	361.511	2.323	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@@H]2C1	ZINC001049111469	675023437	/nfs/dbraw/zinc/02/34/37/675023437.db2.gz	RUQLLNVNLANMTA-MVJTYMMSSA-N	1	1	361.511	2.323	20	30		FEEDMO
CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1	ZINC000571140409	670822350	/nfs/dbraw/zinc/82/23/50/670822350.db2.gz	BVZFVKYIROEDLV-UHFFFAOYSA-N	1	1	353.463	2.438	20	30		FEEDMO
O=C(NCC[NH2+]Cc1nc(-c2ccccc2)cs1)C1N=CC=CC1=O	ZINC000113360965	670884351	/nfs/dbraw/zinc/88/43/51/670884351.db2.gz	AJPBJWITVNEVHF-ZCXUNETKSA-N	1	1	354.435	2.426	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000577335912	671588335	/nfs/dbraw/zinc/58/83/35/671588335.db2.gz	ZGKFAFHAHHCGDM-LPHOPBHVSA-N	1	1	365.543	2.382	20	30		FEEDMO
C[C@@](CO)([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(O)c1	ZINC000577680506	671612924	/nfs/dbraw/zinc/61/29/24/671612924.db2.gz	FFQSYDFVPCUECM-SFHVURJKSA-N	1	1	359.813	2.353	20	30		FEEDMO
CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000609545855	675925625	/nfs/dbraw/zinc/92/56/25/675925625.db2.gz	ZYAUDGCMXNSXDU-ZDUSSCGKSA-N	1	1	373.400	2.434	20	30		FEEDMO
CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000609545855	675925626	/nfs/dbraw/zinc/92/56/26/675925626.db2.gz	ZYAUDGCMXNSXDU-ZDUSSCGKSA-N	1	1	373.400	2.434	20	30		FEEDMO
C=CCNc1ncc(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)s1	ZINC000578926606	671698981	/nfs/dbraw/zinc/69/89/81/671698981.db2.gz	MYXDUOQLZDRFQI-UHFFFAOYSA-N	1	1	357.483	2.975	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[N@H+]1C	ZINC000579031247	671707282	/nfs/dbraw/zinc/70/72/82/671707282.db2.gz	KVWIQARMBVXIGM-NEPJUHHUSA-N	1	1	362.499	2.407	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC[N@@H+]1C	ZINC000579031247	671707284	/nfs/dbraw/zinc/70/72/84/671707284.db2.gz	KVWIQARMBVXIGM-NEPJUHHUSA-N	1	1	362.499	2.407	20	30		FEEDMO
C[C@@H]1[C@H](C)SCC[N@@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000118382235	671885997	/nfs/dbraw/zinc/88/59/97/671885997.db2.gz	ATRVZGTYVRGDJY-KGLIPLIRSA-N	1	1	358.467	2.106	20	30		FEEDMO
C[C@@H]1[C@H](C)SCC[N@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000118382235	671886001	/nfs/dbraw/zinc/88/60/01/671886001.db2.gz	ATRVZGTYVRGDJY-KGLIPLIRSA-N	1	1	358.467	2.106	20	30		FEEDMO
C[N@@H+]1CCN(c2ccc(Cl)c(C#N)n2)[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000119795251	671908999	/nfs/dbraw/zinc/90/89/99/671908999.db2.gz	VIRZMOMPKPLBCW-GFCCVEGCSA-N	1	1	365.865	2.252	20	30		FEEDMO
C[N@H+]1CCN(c2ccc(Cl)c(C#N)n2)[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000119795251	671909001	/nfs/dbraw/zinc/90/90/01/671909001.db2.gz	VIRZMOMPKPLBCW-GFCCVEGCSA-N	1	1	365.865	2.252	20	30		FEEDMO
CCCCn1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c(C)n1	ZINC000581603133	671916104	/nfs/dbraw/zinc/91/61/04/671916104.db2.gz	LWNLXOBWIZWJSE-UHFFFAOYSA-N	1	1	360.483	2.427	20	30		FEEDMO
COCCC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000120139592	671918454	/nfs/dbraw/zinc/91/84/54/671918454.db2.gz	OEWFZHYXJOAMCO-DOTOQJQBSA-N	1	1	366.483	2.003	20	30		FEEDMO
COCCC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000120139592	671918458	/nfs/dbraw/zinc/91/84/58/671918458.db2.gz	OEWFZHYXJOAMCO-DOTOQJQBSA-N	1	1	366.483	2.003	20	30		FEEDMO
CN(C)S(=O)(=O)c1ccc(CO[NH+]=C(N)CCc2ccccc2)cc1	ZINC000120233148	671920083	/nfs/dbraw/zinc/92/00/83/671920083.db2.gz	HEQFARUOHFVPQZ-UHFFFAOYSA-N	1	1	361.467	2.359	20	30		FEEDMO
CSC[C@H]1CCC[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000131013806	672082957	/nfs/dbraw/zinc/08/29/57/672082957.db2.gz	QTNJPIVJUDIMNU-QAPCUYQASA-N	1	1	358.467	2.110	20	30		FEEDMO
CSC[C@H]1CCC[N@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000131013806	672082958	/nfs/dbraw/zinc/08/29/58/672082958.db2.gz	QTNJPIVJUDIMNU-QAPCUYQASA-N	1	1	358.467	2.110	20	30		FEEDMO
CC(C)C(N)=[NH+]OCC(=O)Nc1ccc(I)cc1	ZINC000133674770	672113510	/nfs/dbraw/zinc/11/35/10/672113510.db2.gz	PSDXNOFYKWYUPQ-UHFFFAOYSA-N	1	1	361.183	2.175	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2	ZINC000180467872	672414081	/nfs/dbraw/zinc/41/40/81/672414081.db2.gz	YQEMTHWVILXLGL-QWRGUYRKSA-N	1	1	367.243	2.009	20	30		FEEDMO
CCOC(=O)CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000611037985	676013770	/nfs/dbraw/zinc/01/37/70/676013770.db2.gz	FXFLANJKIYJKFN-GJYPPUQNSA-N	1	1	351.491	2.485	20	30		FEEDMO
C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1C[N@H+](C)CCO1	ZINC000588314686	672462284	/nfs/dbraw/zinc/46/22/84/672462284.db2.gz	IYDNBBYFBSAMEO-IINYFYTJSA-N	1	1	367.247	2.161	20	30		FEEDMO
C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1C[N@@H+](C)CCO1	ZINC000588314686	672462287	/nfs/dbraw/zinc/46/22/87/672462287.db2.gz	IYDNBBYFBSAMEO-IINYFYTJSA-N	1	1	367.247	2.161	20	30		FEEDMO
CC#CCC[N@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C	ZINC000186098132	672540951	/nfs/dbraw/zinc/54/09/51/672540951.db2.gz	KZRLWXCDEQSZFQ-INIZCTEOSA-N	1	1	351.491	2.285	20	30		FEEDMO
C[N@H+]1C[C@@H]2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)[C@@H]2C1	ZINC000590012741	672554471	/nfs/dbraw/zinc/55/44/71/672554471.db2.gz	XDOBZISKBHEFMJ-XJKSGUPXSA-N	1	1	358.511	2.463	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(Cl)c1	ZINC000590774378	672616689	/nfs/dbraw/zinc/61/66/89/672616689.db2.gz	CSIPDOXGQJXOHM-LBPRGKRZSA-N	1	1	356.253	2.442	20	30		FEEDMO
COCCC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000245506612	672820029	/nfs/dbraw/zinc/82/00/29/672820029.db2.gz	OEWFZHYXJOAMCO-RDJZCZTQSA-N	1	1	366.483	2.003	20	30		FEEDMO
COCCC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000245506612	672820033	/nfs/dbraw/zinc/82/00/33/672820033.db2.gz	OEWFZHYXJOAMCO-RDJZCZTQSA-N	1	1	366.483	2.003	20	30		FEEDMO
CCOc1ccc(O)c(/C=N\C[C@]2([NH+]3CCOCC3)CCSC2)c1	ZINC000255424482	672890487	/nfs/dbraw/zinc/89/04/87/672890487.db2.gz	BBXDDFAOKLLAHZ-GEBKJHSDSA-N	1	1	350.484	2.418	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1ccc(Br)cc1C#N	ZINC000593521710	672932911	/nfs/dbraw/zinc/93/29/11/672932911.db2.gz	OPDMEUSXBYHIIS-BZNIZROVSA-N	1	1	362.271	2.462	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NCCC[N@@H+](CC)C1CCCCC1	ZINC000593627458	672962249	/nfs/dbraw/zinc/96/22/49/672962249.db2.gz	UFRGHDDPQRYLPA-MRXNPFEDSA-N	1	1	358.552	2.347	20	30		FEEDMO
CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000593656184	672972258	/nfs/dbraw/zinc/97/22/58/672972258.db2.gz	BRODLIMHIQICJU-UHFFFAOYSA-N	1	1	350.850	2.244	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1=O	ZINC000685004367	672984766	/nfs/dbraw/zinc/98/47/66/672984766.db2.gz	WRFSXPCOVHASGN-LRDDRELGSA-N	1	1	373.280	2.452	20	30		FEEDMO
COc1ccc(-c2n[nH]c(CNC(=[NH2+])NCCc3cccs3)n2)cc1	ZINC000303990371	673019673	/nfs/dbraw/zinc/01/96/73/673019673.db2.gz	YLBFLGVPCFHGKX-UHFFFAOYSA-N	1	1	356.455	2.189	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)C1	ZINC000328911858	673069235	/nfs/dbraw/zinc/06/92/35/673069235.db2.gz	ONCATYNBBMPLNY-OAHLLOKOSA-N	1	1	365.499	2.225	20	30		FEEDMO
C=CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccsc3C(=O)OC)C2=O)C1	ZINC000594659569	673109487	/nfs/dbraw/zinc/10/94/87/673109487.db2.gz	FNMDWWSESVGZIQ-JSGCOSHPSA-N	1	1	362.451	2.455	20	30		FEEDMO
C=CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccsc3C(=O)OC)C2=O)C1	ZINC000594659569	673109494	/nfs/dbraw/zinc/10/94/94/673109494.db2.gz	FNMDWWSESVGZIQ-JSGCOSHPSA-N	1	1	362.451	2.455	20	30		FEEDMO
CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1	ZINC000371906727	673150415	/nfs/dbraw/zinc/15/04/15/673150415.db2.gz	BJGCNRXCPQWYHH-BHIYHBOVSA-N	1	1	361.511	2.430	20	30		FEEDMO
CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1	ZINC000371906727	673150417	/nfs/dbraw/zinc/15/04/17/673150417.db2.gz	BJGCNRXCPQWYHH-BHIYHBOVSA-N	1	1	361.511	2.430	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@@H](C)C1	ZINC000595512322	673259638	/nfs/dbraw/zinc/25/96/38/673259638.db2.gz	XOPJYXUBHBDZDK-KSZLIROESA-N	1	1	350.507	2.459	20	30		FEEDMO
CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000595546201	673264073	/nfs/dbraw/zinc/26/40/73/673264073.db2.gz	LHDPITMBWFIERU-OAHLLOKOSA-N	1	1	361.515	2.182	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)CC1	ZINC000595565911	673267769	/nfs/dbraw/zinc/26/77/69/673267769.db2.gz	FSQJZHVVNYYZCC-ULQDDVLXSA-N	1	1	358.511	2.331	20	30		FEEDMO
COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000595848321	673329856	/nfs/dbraw/zinc/32/98/56/673329856.db2.gz	HBYBCGLZMVMAEN-TXEJJXNPSA-N	1	1	361.467	2.320	20	30		FEEDMO
C=C[C@H](CO)[NH2+][C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2	ZINC000595864030	673331742	/nfs/dbraw/zinc/33/17/42/673331742.db2.gz	MZQAMGXFAQMNFV-VXGBXAGGSA-N	1	1	366.483	2.267	20	30		FEEDMO
CCC(Cc1ccc(C)cc1)=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000731924603	673348052	/nfs/dbraw/zinc/34/80/52/673348052.db2.gz	KPRLKYRDMOVUOQ-UHFFFAOYSA-N	1	1	362.543	2.490	20	30		FEEDMO
C=CC[C@H](C)NC(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000538057513	673420550	/nfs/dbraw/zinc/42/05/50/673420550.db2.gz	WPPQQFXFIHVTOK-GVDBMIGSSA-N	1	1	353.507	2.251	20	30		FEEDMO
C[N@H+](CCO)Cc1cc(NC(=O)C2(C#N)CCOCC2)ccc1Cl	ZINC000597612323	673492969	/nfs/dbraw/zinc/49/29/69/673492969.db2.gz	VUPJUUNBKLTEIE-UHFFFAOYSA-N	1	1	351.834	2.023	20	30		FEEDMO
C[N@@H+](CCO)Cc1cc(NC(=O)C2(C#N)CCOCC2)ccc1Cl	ZINC000597612323	673492970	/nfs/dbraw/zinc/49/29/70/673492970.db2.gz	VUPJUUNBKLTEIE-UHFFFAOYSA-N	1	1	351.834	2.023	20	30		FEEDMO
Cc1cc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)on1	ZINC000598605444	673588826	/nfs/dbraw/zinc/58/88/26/673588826.db2.gz	AQZIJTYKNCYJCW-HRCADAONSA-N	1	1	352.454	2.128	20	30		FEEDMO
CCC[C@@]1(C(=O)OCC)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599386710	673667657	/nfs/dbraw/zinc/66/76/57/673667657.db2.gz	WNYUPPKXNODASW-LPHOPBHVSA-N	1	1	352.475	2.256	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H](CC(F)(F)F)O1	ZINC000599479175	673681101	/nfs/dbraw/zinc/68/11/01/673681101.db2.gz	WNKRFUPMVYGNQJ-HZSPNIEDSA-N	1	1	350.381	2.099	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H](CC(F)(F)F)O1	ZINC000599479175	673681103	/nfs/dbraw/zinc/68/11/03/673681103.db2.gz	WNKRFUPMVYGNQJ-HZSPNIEDSA-N	1	1	350.381	2.099	20	30		FEEDMO
C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1	ZINC000599530131	673688508	/nfs/dbraw/zinc/68/85/08/673688508.db2.gz	UERLQVHDOPWLST-IAGOWNOFSA-N	1	1	358.511	2.355	20	30		FEEDMO
CC[N@H+](CCOc1ccc(Br)cc1)CC(=O)NCCC#N	ZINC000741807645	673698064	/nfs/dbraw/zinc/69/80/64/673698064.db2.gz	JMEOFSRMLVETCI-UHFFFAOYSA-N	1	1	354.248	2.180	20	30		FEEDMO
CC[N@@H+](CCOc1ccc(Br)cc1)CC(=O)NCCC#N	ZINC000741807645	673698067	/nfs/dbraw/zinc/69/80/67/673698067.db2.gz	JMEOFSRMLVETCI-UHFFFAOYSA-N	1	1	354.248	2.180	20	30		FEEDMO
COc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)sn1	ZINC000599752717	673713492	/nfs/dbraw/zinc/71/34/92/673713492.db2.gz	VOFZQLSUTOGRGT-UHFFFAOYSA-N	1	1	356.451	2.440	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Oc1cccc(Br)c1	ZINC000742849619	673739944	/nfs/dbraw/zinc/73/99/44/673739944.db2.gz	QMTVCCCKTKCGBV-CJNGLKHVSA-N	1	1	365.271	2.430	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Oc1cccc(Br)c1	ZINC000742849619	673739946	/nfs/dbraw/zinc/73/99/46/673739946.db2.gz	QMTVCCCKTKCGBV-CJNGLKHVSA-N	1	1	365.271	2.430	20	30		FEEDMO
CC(C)(C)OCc1cc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)no1	ZINC000600737898	673795552	/nfs/dbraw/zinc/79/55/52/673795552.db2.gz	WUOXLPPNGDWNOW-HNNXBMFYSA-N	1	1	351.447	2.151	20	30		FEEDMO
N#Cc1ccsc1NC(=O)C[NH2+][C@@H](c1ccncc1)C1(CO)CCC1	ZINC000602900538	673913538	/nfs/dbraw/zinc/91/35/38/673913538.db2.gz	CUUBRBGYEVUZEK-INIZCTEOSA-N	1	1	356.451	2.447	20	30		FEEDMO
CC(C)OCC[NH+]1CCN(c2cc(C#N)c(Br)cn2)CC1	ZINC000603303393	673923619	/nfs/dbraw/zinc/92/36/19/673923619.db2.gz	PCQICTCQVLILMH-UHFFFAOYSA-N	1	1	353.264	2.263	20	30		FEEDMO
C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(C#N)c(Br)cn1	ZINC000603373381	673927244	/nfs/dbraw/zinc/92/72/44/673927244.db2.gz	CQUYLGVDCJCLHG-YPMHNXCESA-N	1	1	351.248	2.015	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)s1	ZINC000566502762	675219625	/nfs/dbraw/zinc/21/96/25/675219625.db2.gz	AGPUPCQXIOSKFP-CQSZACIVSA-N	1	1	351.428	2.094	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CSc1ncnc2sc(C)c(C)c21	ZINC000818589103	675226359	/nfs/dbraw/zinc/22/63/59/675226359.db2.gz	QTNXCGKEXYRPOB-UHFFFAOYSA-N	1	1	362.524	2.472	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC	ZINC000818602920	675227826	/nfs/dbraw/zinc/22/78/26/675227826.db2.gz	JMSRAYYDAVVHBZ-JKSUJKDBSA-N	1	1	351.491	2.093	20	30		FEEDMO
C#C[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccc(Cl)cc1F	ZINC000820749612	675385047	/nfs/dbraw/zinc/38/50/47/675385047.db2.gz	DDLQDANDFXDTGJ-IIYDPXPESA-N	1	1	367.852	2.250	20	30		FEEDMO
CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O	ZINC000822582942	675493041	/nfs/dbraw/zinc/49/30/41/675493041.db2.gz	IRAXALLOSSSCNA-RDTXWAMCSA-N	1	1	352.479	2.030	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@H]1c1ccccc1	ZINC000619493742	676381228	/nfs/dbraw/zinc/38/12/28/676381228.db2.gz	NBXYRNACZKKURN-RTBURBONSA-N	1	1	355.463	2.476	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@H]1c1ccccc1	ZINC000619493742	676381230	/nfs/dbraw/zinc/38/12/30/676381230.db2.gz	NBXYRNACZKKURN-RTBURBONSA-N	1	1	355.463	2.476	20	30		FEEDMO
C#CCO[C@H](C)C(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1	ZINC000830253206	677032291	/nfs/dbraw/zinc/03/22/91/677032291.db2.gz	PTSVGLMCPBBCPR-CYBMUJFWSA-N	1	1	358.467	2.025	20	30		FEEDMO
C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1CCN(C(=O)OCC)CC1	ZINC000839455431	680753491	/nfs/dbraw/zinc/75/34/91/680753491.db2.gz	FEPQXWXRGPITRU-OAHLLOKOSA-N	1	1	365.499	2.425	20	30		FEEDMO
C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1CCN(C(=O)OCC)CC1	ZINC000839455431	680753493	/nfs/dbraw/zinc/75/34/93/680753493.db2.gz	FEPQXWXRGPITRU-OAHLLOKOSA-N	1	1	365.499	2.425	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C	ZINC000839658499	680769719	/nfs/dbraw/zinc/76/97/19/680769719.db2.gz	URRIJPGBGCDDPR-CQSZACIVSA-N	1	1	352.479	2.126	20	30		FEEDMO
C=CCN1CCN(C[NH+]2CCC(C)(NC(=O)OC(C)(C)C)CC2)C1=O	ZINC000840049091	680795150	/nfs/dbraw/zinc/79/51/50/680795150.db2.gz	GSLISMOKKOKEKH-UHFFFAOYSA-N	1	1	352.479	2.247	20	30		FEEDMO
CS(=O)(=O)CCCCO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000764534664	680813339	/nfs/dbraw/zinc/81/33/39/680813339.db2.gz	TWGKKDRADYWZLI-UHFFFAOYSA-N	1	1	369.443	2.370	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1cscn1	ZINC000669034374	679216072	/nfs/dbraw/zinc/21/60/72/679216072.db2.gz	LMILCIXXRFKWPL-CABCVRRESA-N	1	1	360.487	2.093	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)OCCC[NH+]2CCOCC2)c1C#N	ZINC000748498638	679970155	/nfs/dbraw/zinc/97/01/55/679970155.db2.gz	ANPWKISUARSVCR-UHFFFAOYSA-N	1	1	361.467	2.432	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cccc2c(Cl)ccnc21	ZINC000831637537	680015776	/nfs/dbraw/zinc/01/57/76/680015776.db2.gz	OFJXBTHQKGDOCO-UHFFFAOYSA-N	1	1	351.859	2.122	20	30		FEEDMO
C=C(Br)CN1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1	ZINC001016632544	680059747	/nfs/dbraw/zinc/05/97/47/680059747.db2.gz	RHRYURLGBQTBOY-KFWWJZLASA-N	1	1	370.335	2.206	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(COCC(F)(F)F)c1	ZINC000750092678	680100420	/nfs/dbraw/zinc/10/04/20/680100420.db2.gz	OSVWQQGVRPDTOG-INIZCTEOSA-N	1	1	354.372	2.479	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(COCC(F)(F)F)c1	ZINC000750092678	680100423	/nfs/dbraw/zinc/10/04/23/680100423.db2.gz	OSVWQQGVRPDTOG-INIZCTEOSA-N	1	1	354.372	2.479	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(CCC)s2)C1	ZINC001020168068	680101535	/nfs/dbraw/zinc/10/15/35/680101535.db2.gz	TUWZGKMNRFQZSD-TUVASFSCSA-N	1	1	364.515	2.209	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+](C)C[C@H](O)c1ccccc1Br	ZINC000832673524	680163338	/nfs/dbraw/zinc/16/33/38/680163338.db2.gz	UVWBFSRDSAJLER-HNNXBMFYSA-N	1	1	368.275	2.176	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](C)C[C@H](O)c1ccccc1Br	ZINC000832673524	680163341	/nfs/dbraw/zinc/16/33/41/680163341.db2.gz	UVWBFSRDSAJLER-HNNXBMFYSA-N	1	1	368.275	2.176	20	30		FEEDMO
CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21	ZINC000978299027	680171813	/nfs/dbraw/zinc/17/18/13/680171813.db2.gz	BOSFDRAARAQHJX-FUEZWAHWSA-N	1	1	359.495	2.229	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1	ZINC001022717557	680232222	/nfs/dbraw/zinc/23/22/22/680232222.db2.gz	DJWFQCVQSGIRQN-CWRNSKLLSA-N	1	1	367.921	2.309	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](C[C@H](CC)OC)C2	ZINC000982064847	680265688	/nfs/dbraw/zinc/26/56/88/680265688.db2.gz	ZFQUUROFJDRERT-BZSNNMDCSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nncs1	ZINC001025109186	680313935	/nfs/dbraw/zinc/31/39/35/680313935.db2.gz	RMKJFIGKSNHBFV-VYDXJSESSA-N	1	1	364.515	2.380	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1	ZINC001028809145	680383515	/nfs/dbraw/zinc/38/35/15/680383515.db2.gz	KQYLNFRDPZIXCI-XCRHUMRWSA-N	1	1	350.409	2.494	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)Cc2cnns2)C1	ZINC001029862416	680393799	/nfs/dbraw/zinc/39/37/99/680393799.db2.gz	PDLDRFICDVGGFV-PVAVHDDUSA-N	1	1	364.515	2.190	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cnns2)C1	ZINC001029862416	680393801	/nfs/dbraw/zinc/39/38/01/680393801.db2.gz	PDLDRFICDVGGFV-PVAVHDDUSA-N	1	1	364.515	2.190	20	30		FEEDMO
C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1	ZINC001029848763	680394083	/nfs/dbraw/zinc/39/40/83/680394083.db2.gz	FPZQKOJQYYSIGX-JFTQMJAMSA-N	1	1	359.495	2.468	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C[C@H]2CCOC2)CC1	ZINC001029965897	680394504	/nfs/dbraw/zinc/39/45/04/680394504.db2.gz	FJFSPTQKFGXZKT-QRVBRYPASA-N	1	1	350.503	2.175	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](C)C[C@H]2CCCCO2)CC1	ZINC001029997759	680395774	/nfs/dbraw/zinc/39/57/74/680395774.db2.gz	CPMXSRPBYUWBFF-QRVBRYPASA-N	1	1	350.503	2.317	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)s1	ZINC001031838754	680408369	/nfs/dbraw/zinc/40/83/69/680408369.db2.gz	OBUZTNQTWXIPJG-ZWKOTPCHSA-N	1	1	359.495	2.230	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCOCC2)C1	ZINC001033431703	680423172	/nfs/dbraw/zinc/42/31/72/680423172.db2.gz	HPWVQRNOIOBYJA-OTWHNJEPSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)CC1	ZINC001000218592	680423447	/nfs/dbraw/zinc/42/34/47/680423447.db2.gz	JLEKHHQGXUHKJG-BHYGNILZSA-N	1	1	368.905	2.151	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(CC)s2)C1	ZINC001000425385	680431896	/nfs/dbraw/zinc/43/18/96/680431896.db2.gz	GDDFZJPMRSGKCG-ZQIUZPCESA-N	1	1	364.515	2.162	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCC2CCOCC2)C1	ZINC001034408655	680435709	/nfs/dbraw/zinc/43/57/09/680435709.db2.gz	MGCMKVCSDSTYBZ-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCC2CCCC2)CCO1	ZINC001035541392	680450590	/nfs/dbraw/zinc/45/05/90/680450590.db2.gz	HKBWAHFZTRQKCO-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1	ZINC000836379760	680460638	/nfs/dbraw/zinc/46/06/38/680460638.db2.gz	QUCYXHSGHOJNMC-AWEZNQCLSA-N	1	1	366.868	2.312	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)CC(=C)Br)CC1	ZINC000985657687	680466940	/nfs/dbraw/zinc/46/69/40/680466940.db2.gz	KXSUMNSRXPWCNR-CABCVRRESA-N	1	1	357.292	2.409	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)CC(=C)Br)CC1	ZINC000985657687	680466945	/nfs/dbraw/zinc/46/69/45/680466945.db2.gz	KXSUMNSRXPWCNR-CABCVRRESA-N	1	1	357.292	2.409	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC[C@H]2CCCO2)CC1	ZINC000985695224	680471431	/nfs/dbraw/zinc/47/14/31/680471431.db2.gz	VEROBZZLLITGJI-QYZOEREBSA-N	1	1	350.503	2.460	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1	ZINC000836488719	680476301	/nfs/dbraw/zinc/47/63/01/680476301.db2.gz	MJADIKRMEAKAKJ-HNNXBMFYSA-N	1	1	358.269	2.281	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC2(CC1)OCCc1ccsc12	ZINC000836490269	680476647	/nfs/dbraw/zinc/47/66/47/680476647.db2.gz	QVAGDJFIOFFPPD-UHFFFAOYSA-N	1	1	361.511	2.277	20	30		FEEDMO
C=C(Br)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001001869169	680479788	/nfs/dbraw/zinc/47/97/88/680479788.db2.gz	IELJCFMFXOWNEB-KFWWJZLASA-N	1	1	357.292	2.291	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nc(C(C)C)ns1	ZINC001045208884	680624790	/nfs/dbraw/zinc/62/47/90/680624790.db2.gz	LTBCMIAPVTXVFT-ZNMIVQPWSA-N	1	1	364.515	2.333	20	30		FEEDMO
C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCO[C@H]2C(=C)C)C1	ZINC001046979560	680655703	/nfs/dbraw/zinc/65/57/03/680655703.db2.gz	BUAAVOUHMHSWEB-IKGGRYGDSA-N	1	1	354.441	2.454	20	30		FEEDMO
Cc1csc2nc(C[N@@H+](C)C[C@@H](O)c3cccc(C#N)c3)cc(=O)n12	ZINC000844365180	681054181	/nfs/dbraw/zinc/05/41/81/681054181.db2.gz	CBDNALMQTGDBHP-MRXNPFEDSA-N	1	1	354.435	2.102	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1c1snc(Cl)c1C#N	ZINC001051014581	681059937	/nfs/dbraw/zinc/05/99/37/681059937.db2.gz	ABICNWOBGVMPAW-LOWVWBTDSA-N	1	1	367.906	2.093	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3snc(C)c3C#N)[C@@H]2C)CC[N@H+]1C	ZINC001051130474	681063818	/nfs/dbraw/zinc/06/38/18/681063818.db2.gz	IZFPLMCMKMLULO-BFJAYTPKSA-N	1	1	361.515	2.137	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCOC)C2)C1	ZINC001054212862	681106583	/nfs/dbraw/zinc/10/65/83/681106583.db2.gz	OTFSJGMFXXYRHA-BJLQDIEVSA-N	1	1	350.503	2.319	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNc1nc(C#N)c(Cl)s1	ZINC001054410273	681107548	/nfs/dbraw/zinc/10/75/48/681107548.db2.gz	UBSIBPZJXKBJIQ-GRYCIOLGSA-N	1	1	367.906	2.126	20	30		FEEDMO
Cc1nsc(NC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C)c1C#N	ZINC001054694155	681115399	/nfs/dbraw/zinc/11/53/99/681115399.db2.gz	JNLUHYMFNCSOJN-XNRPHZJLSA-N	1	1	361.515	2.314	20	30		FEEDMO
CCc1cc(N[C@@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C(F)(F)F)nc(C)[nH+]1	ZINC001055607083	681144090	/nfs/dbraw/zinc/14/40/90/681144090.db2.gz	LRBHGXIXXMKTOI-ZWKOPEQDSA-N	1	1	355.364	2.308	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001059096352	681178701	/nfs/dbraw/zinc/17/87/01/681178701.db2.gz	DOAJTCAVCDSKGC-SDDRHHMPSA-N	1	1	367.906	2.411	20	30		FEEDMO
C#CC[N@H+](CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C(C)C	ZINC000932388381	681239192	/nfs/dbraw/zinc/23/91/92/681239192.db2.gz	IJWCILRTMJTDJO-UHFFFAOYSA-N	1	1	359.495	2.158	20	30		FEEDMO
C#CC[N@@H+](CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)C(C)C	ZINC000932388381	681239197	/nfs/dbraw/zinc/23/91/97/681239197.db2.gz	IJWCILRTMJTDJO-UHFFFAOYSA-N	1	1	359.495	2.158	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](c2ncc(C(=O)OC)s2)C1	ZINC000932659474	681279518	/nfs/dbraw/zinc/27/95/18/681279518.db2.gz	QACKZJJDGUPIRH-ZDUSSCGKSA-N	1	1	351.472	2.144	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](c2ncc(C(=O)OC)s2)C1	ZINC000932659474	681279521	/nfs/dbraw/zinc/27/95/21/681279521.db2.gz	QACKZJJDGUPIRH-ZDUSSCGKSA-N	1	1	351.472	2.144	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@H](CC#N)C(F)(F)F)C[C@@H](C)O1	ZINC000932926949	681329792	/nfs/dbraw/zinc/32/97/92/681329792.db2.gz	QJBRESWSAUPCHY-IJLUTSLNSA-N	1	1	350.385	2.018	20	30		FEEDMO
C[S@](=O)CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932945125	681333088	/nfs/dbraw/zinc/33/30/88/681333088.db2.gz	RNPPCTKSVRONBY-JQKOJPSISA-N	1	1	359.282	2.468	20	30		FEEDMO
C[S@](=O)CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932945125	681333090	/nfs/dbraw/zinc/33/30/90/681333090.db2.gz	RNPPCTKSVRONBY-JQKOJPSISA-N	1	1	359.282	2.468	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@@H]1CCCO1	ZINC000775794670	681335543	/nfs/dbraw/zinc/33/55/43/681335543.db2.gz	RSNZHTPTOYLTOQ-JSGCOSHPSA-N	1	1	352.818	2.066	20	30		FEEDMO
C#C[C@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@H]1CCCO1	ZINC000775805909	681337253	/nfs/dbraw/zinc/33/72/53/681337253.db2.gz	HXOPZJACUDWHDG-UONOGXRCSA-N	1	1	352.228	2.491	20	30		FEEDMO
C[C@@H]([NH2+][C@@H](CO)c1ccccc1C(F)(F)F)C(=O)NC1(C#N)CCC1	ZINC000933241253	681379377	/nfs/dbraw/zinc/37/93/77/681379377.db2.gz	JSTINJXDBPHGLP-RISCZKNCSA-N	1	1	355.360	2.279	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C	ZINC000847491021	681385761	/nfs/dbraw/zinc/38/57/61/681385761.db2.gz	FXNJKEWZELIUOP-CABCVRRESA-N	1	1	352.479	2.174	20	30		FEEDMO
C#CCCN1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1	ZINC000776593099	681412576	/nfs/dbraw/zinc/41/25/76/681412576.db2.gz	RBIMEQYFVSEMKQ-AWEZNQCLSA-N	1	1	357.281	2.374	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@]2(C)C1	ZINC000933739874	681460509	/nfs/dbraw/zinc/46/05/09/681460509.db2.gz	JGVATDAAHGHGBP-YJYMSZOUSA-N	1	1	358.511	2.321	20	30		FEEDMO
CN1C[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@]2(C)C1	ZINC000933739874	681460520	/nfs/dbraw/zinc/46/05/20/681460520.db2.gz	JGVATDAAHGHGBP-YJYMSZOUSA-N	1	1	358.511	2.321	20	30		FEEDMO
CN1C[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@]2(C)C1	ZINC000933739874	681460522	/nfs/dbraw/zinc/46/05/22/681460522.db2.gz	JGVATDAAHGHGBP-YJYMSZOUSA-N	1	1	358.511	2.321	20	30		FEEDMO
C#CCOCC[N@@H+]1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000933860019	681475439	/nfs/dbraw/zinc/47/54/39/681475439.db2.gz	XIZTZGMTNQLZGN-INIZCTEOSA-N	1	1	352.475	2.127	20	30		FEEDMO
C=CCCC[N@@H+](CC)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000934650311	681605835	/nfs/dbraw/zinc/60/58/35/681605835.db2.gz	JLASWZCFKINWLM-QGZVFWFLSA-N	1	1	356.532	2.233	20	30		FEEDMO
C=CCCC[N@H+](CC)CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1	ZINC000934650311	681605839	/nfs/dbraw/zinc/60/58/39/681605839.db2.gz	JLASWZCFKINWLM-QGZVFWFLSA-N	1	1	356.532	2.233	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC000950928936	681718160	/nfs/dbraw/zinc/71/81/60/681718160.db2.gz	ISUNGARNYXYLAH-BPLDGKMQSA-N	1	1	355.910	2.213	20	30		FEEDMO
C=CCCn1cc(C[NH2+]C[C@@H](O)c2ccccc2Br)nn1	ZINC000850319151	681885051	/nfs/dbraw/zinc/88/50/51/681885051.db2.gz	IKJOTPVKFKQKKK-OAHLLOKOSA-N	1	1	351.248	2.440	20	30		FEEDMO
CC1(C)C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1NC(=O)[C@]12C[C@H]1COC2	ZINC000940759077	682080376	/nfs/dbraw/zinc/08/03/76/682080376.db2.gz	FTZAKUHFMHUOIR-AXHNFQJDSA-N	1	1	359.495	2.373	20	30		FEEDMO
C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C(C)(C)C1	ZINC000940915688	682087054	/nfs/dbraw/zinc/08/70/54/682087054.db2.gz	VDWMCSSYFJPRMW-XLAORIBOSA-N	1	1	350.503	2.221	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+](CCOC)C2)CC1	ZINC000961411750	682092137	/nfs/dbraw/zinc/09/21/37/682092137.db2.gz	NWHPPIUHHZJECZ-OTWHNJEPSA-N	1	1	350.503	2.175	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C(C)(C)C1	ZINC000941049805	682099309	/nfs/dbraw/zinc/09/93/09/682099309.db2.gz	GWBBVHAFKIIMGL-XHSDSOJGSA-N	1	1	350.894	2.493	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C(C)(C)C1	ZINC000941049805	682099319	/nfs/dbraw/zinc/09/93/19/682099319.db2.gz	GWBBVHAFKIIMGL-XHSDSOJGSA-N	1	1	350.894	2.493	20	30		FEEDMO
C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)O1	ZINC000961835888	682101311	/nfs/dbraw/zinc/10/13/11/682101311.db2.gz	WNQXWEBQJBBBEW-SFKBXODTSA-N	1	1	358.869	2.305	20	30		FEEDMO
C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC#Cc4cccc(Cl)c4)C[C@H]32)O1	ZINC000961835888	682101315	/nfs/dbraw/zinc/10/13/15/682101315.db2.gz	WNQXWEBQJBBBEW-SFKBXODTSA-N	1	1	358.869	2.305	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307070	682257316	/nfs/dbraw/zinc/25/73/16/682257316.db2.gz	PVIHWBHZCAZTRM-CYBMUJFWSA-N	1	1	352.479	2.172	20	30		FEEDMO
C=C(Br)CN1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC000969687472	682271838	/nfs/dbraw/zinc/27/18/38/682271838.db2.gz	CDHKXOUEKHYVFH-AEGPPILISA-N	1	1	358.324	2.062	20	30		FEEDMO
CC(C)(C#N)CC[NH+]1CCC(n2nncc2I)CC1	ZINC000852533059	682296947	/nfs/dbraw/zinc/29/69/47/682296947.db2.gz	SHZUBQIAUOBWDB-UHFFFAOYSA-N	1	1	373.242	2.459	20	30		FEEDMO
N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCCN2CCOC2=O)CC1	ZINC000791624898	682754854	/nfs/dbraw/zinc/75/48/54/682754854.db2.gz	PURCOPXCKMCCBM-QGZVFWFLSA-N	1	1	362.861	2.365	20	30		FEEDMO
CCCc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)s1	ZINC000857205589	682864822	/nfs/dbraw/zinc/86/48/22/682864822.db2.gz	DWRXYZGUJUFIRF-UHFFFAOYSA-N	1	1	354.545	2.221	20	30		FEEDMO
C#C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)[C@@H]1CCCO1	ZINC000859258354	683067170	/nfs/dbraw/zinc/06/71/70/683067170.db2.gz	NHHHEAZKLLOQOF-BPUTZDHNSA-N	1	1	363.255	2.473	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCCCN1S(C)(=O)=O	ZINC000796513592	683166997	/nfs/dbraw/zinc/16/69/97/683166997.db2.gz	PNJQHDAXHWAVPI-CQSZACIVSA-N	1	1	370.902	2.256	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)Cc2cc(Br)cc(OC)c2O)C1=O	ZINC000798956988	683407994	/nfs/dbraw/zinc/40/79/94/683407994.db2.gz	TUUCFUUSKUEZDB-CYBMUJFWSA-N	1	1	369.259	2.382	20	30		FEEDMO
C[NH+]1CCN(N=Cc2cc(Br)c3c(c2)OCCCO3)CC1	ZINC000921254464	683411677	/nfs/dbraw/zinc/41/16/77/683411677.db2.gz	WFYGCDKRDPIDRX-UHFFFAOYSA-N	1	1	354.248	2.192	20	30		FEEDMO
C#CC[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c3ccccc32)CC1	ZINC000921439643	683468273	/nfs/dbraw/zinc/46/82/73/683468273.db2.gz	GOWIWAUFJHPYTK-UHFFFAOYSA-N	1	1	358.463	2.224	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@@H+](CCS(C)(=O)=O)C(C)(C)C)cc1	ZINC000929858325	683647443	/nfs/dbraw/zinc/64/74/43/683647443.db2.gz	CTWHPORPXTWKFF-UHFFFAOYSA-N	1	1	350.484	2.142	20	30		FEEDMO
Cc1[nH+]cc(CNc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1C	ZINC000922373568	683709924	/nfs/dbraw/zinc/70/99/24/683709924.db2.gz	MRESTTBYQAKLED-LVZFUZTISA-N	1	1	361.471	2.153	20	30		FEEDMO
CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CCC#N)C2	ZINC000922486172	683733268	/nfs/dbraw/zinc/73/32/68/683733268.db2.gz	PWTDKOGPVGDUNM-NNFUDEMPSA-N	1	1	350.507	2.095	20	30		FEEDMO
C#CC1(O)CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1	ZINC000931144530	683841017	/nfs/dbraw/zinc/84/10/17/683841017.db2.gz	VELQZRKVGDIGTQ-UHFFFAOYSA-N	1	1	352.228	2.180	20	30		FEEDMO
C=CC[C@H]1CC[N@H+](C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)C1	ZINC000931162396	683843622	/nfs/dbraw/zinc/84/36/22/683843622.db2.gz	ABOHYMREJWHWNW-GJZGRUSLSA-N	1	1	350.459	2.437	20	30		FEEDMO
N#Cc1cccc(Br)c1N1CC[NH+](C[C@@H]2CCOC2)CC1	ZINC000865592134	684001786	/nfs/dbraw/zinc/00/17/86/684001786.db2.gz	QFOFEWNWMFFKKC-ZDUSSCGKSA-N	1	1	350.260	2.479	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1cc(F)cc(C#N)c1)c1ccsc1	ZINC000866469164	684108375	/nfs/dbraw/zinc/10/83/75/684108375.db2.gz	OOMFJNYHRUNTGJ-OAHLLOKOSA-N	1	1	353.444	2.340	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(C#N)c2)CC[N@H+](C2CCC2)C1	ZINC000867299409	684240675	/nfs/dbraw/zinc/24/06/75/684240675.db2.gz	SZBKFEFRMQIQJR-ZDUSSCGKSA-N	1	1	351.447	2.192	20	30		FEEDMO
C=CCCSCCNC(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000923226572	684245041	/nfs/dbraw/zinc/24/50/41/684245041.db2.gz	CCALGIDRYDPJKX-VXNCWWDNSA-N	1	1	369.575	2.465	20	30		FEEDMO
C=CCCSCCNC(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000923228731	684245783	/nfs/dbraw/zinc/24/57/83/684245783.db2.gz	WZIRAEVHDLBSBZ-KONPQCLYSA-N	1	1	355.548	2.075	20	30		FEEDMO
COc1c(C)[nH]cc(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)c1=O	ZINC000931322247	684261841	/nfs/dbraw/zinc/26/18/41/684261841.db2.gz	PJWLRQRCNYWSEX-UHFFFAOYSA-N	1	1	360.439	2.086	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000923568140	684306854	/nfs/dbraw/zinc/30/68/54/684306854.db2.gz	FJVXWUCGWCNXCX-LBPRGKRZSA-N	1	1	366.215	2.185	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1	ZINC000923568140	684306859	/nfs/dbraw/zinc/30/68/59/684306859.db2.gz	FJVXWUCGWCNXCX-LBPRGKRZSA-N	1	1	366.215	2.185	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1	ZINC000923579233	684307777	/nfs/dbraw/zinc/30/77/77/684307777.db2.gz	NAMMJSGQKVHGSS-GFCCVEGCSA-N	1	1	363.439	2.153	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1	ZINC000923579233	684307780	/nfs/dbraw/zinc/30/77/80/684307780.db2.gz	NAMMJSGQKVHGSS-GFCCVEGCSA-N	1	1	363.439	2.153	20	30		FEEDMO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1nnc(C(F)(F)F)s1	ZINC000867946118	684430714	/nfs/dbraw/zinc/43/07/14/684430714.db2.gz	BWGDBZAPAWQSTM-JTQLQIEISA-N	1	1	353.329	2.254	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000872661965	684999939	/nfs/dbraw/zinc/99/99/39/684999939.db2.gz	BAKAUZLFEMLOQH-UONOGXRCSA-N	1	1	373.400	2.434	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1	ZINC000876711085	686249694	/nfs/dbraw/zinc/24/96/94/686249694.db2.gz	TUMIEXHTUPZCMD-DLBZAZTESA-N	1	1	351.878	2.418	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1	ZINC000876782418	686268468	/nfs/dbraw/zinc/26/84/68/686268468.db2.gz	QEBXQPPGYVCBSV-XJKSGUPXSA-N	1	1	368.884	2.225	20	30		FEEDMO
C#CC[C@@H]1CCC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1	ZINC000877605170	686420746	/nfs/dbraw/zinc/42/07/46/686420746.db2.gz	OKXOXHWWDGVCTG-GFCCVEGCSA-N	1	1	371.300	2.332	20	30		FEEDMO
C#CC[C@@H]1CCC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1	ZINC000877605170	686420751	/nfs/dbraw/zinc/42/07/51/686420751.db2.gz	OKXOXHWWDGVCTG-GFCCVEGCSA-N	1	1	371.300	2.332	20	30		FEEDMO
COC(=O)C1(C#N)CC[NH+](CCc2cccc3c2OC(F)(F)O3)CC1	ZINC000878675926	686632807	/nfs/dbraw/zinc/63/28/07/686632807.db2.gz	MOCPDEQKLKIZGT-UHFFFAOYSA-N	1	1	352.337	2.329	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(CC(=O)[C@H](C#N)c3nc4ccccc4s3)CC[C@H]21	ZINC000879576339	686861209	/nfs/dbraw/zinc/86/12/09/686861209.db2.gz	BLYQCJFVIFVDDR-IJEWVQPXSA-N	1	1	354.479	2.499	20	30		FEEDMO
COCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CCOCC1	ZINC000879708451	686892582	/nfs/dbraw/zinc/89/25/82/686892582.db2.gz	LFJIKXLBWUBPHB-UHFFFAOYSA-N	1	1	351.834	2.278	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000880710426	687077147	/nfs/dbraw/zinc/07/71/47/687077147.db2.gz	NRSLUESAZRNNQY-SDDRHHMPSA-N	1	1	352.385	2.456	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000880710426	687077150	/nfs/dbraw/zinc/07/71/50/687077150.db2.gz	NRSLUESAZRNNQY-SDDRHHMPSA-N	1	1	352.385	2.456	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2cc(C#N)c(F)cc2F)CC[N@H+]1CC(C)(C)O	ZINC000880713371	687077923	/nfs/dbraw/zinc/07/79/23/687077923.db2.gz	MRQLAXRHYTWRIN-LLVKDONJSA-N	1	1	352.385	2.145	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCNC(=O)Nc2cc(C#N)c(F)cc2F)C[C@H](C)O1	ZINC000880716713	687078283	/nfs/dbraw/zinc/07/82/83/687078283.db2.gz	RLYJKRVEFXWSOW-TXEJJXNPSA-N	1	1	352.385	2.457	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(Br)c(C#N)n2)C1	ZINC000883087398	687560801	/nfs/dbraw/zinc/56/08/01/687560801.db2.gz	VTYFWRHEJOORQW-SNVBAGLBSA-N	1	1	352.236	2.179	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)Nc2ccc(Br)c(C#N)n2)CC1	ZINC000883100576	687564976	/nfs/dbraw/zinc/56/49/76/687564976.db2.gz	CCMOUVIRFGKWAC-UHFFFAOYSA-N	1	1	350.220	2.099	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)NCCc2nc(C(F)(F)F)cs2)C1	ZINC000884181316	687810008	/nfs/dbraw/zinc/81/00/08/687810008.db2.gz	BGQGFEWIFCEUFY-NSHDSACASA-N	1	1	360.405	2.101	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)NCCc2nc(C(F)(F)F)cs2)C1	ZINC000884181316	687810013	/nfs/dbraw/zinc/81/00/13/687810013.db2.gz	BGQGFEWIFCEUFY-NSHDSACASA-N	1	1	360.405	2.101	20	30		FEEDMO
C#CC[N@H+](CCCCS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426311	688253416	/nfs/dbraw/zinc/25/34/16/688253416.db2.gz	RULVFZGAZAVURZ-UHFFFAOYSA-N	1	1	372.531	2.146	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1	ZINC000887965635	688527222	/nfs/dbraw/zinc/52/72/22/688527222.db2.gz	KPXCWSMBEBCPDQ-DLBZAZTESA-N	1	1	357.483	2.047	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)Cc1cc(C#N)cs1	ZINC000887968819	688527872	/nfs/dbraw/zinc/52/78/72/688527872.db2.gz	YOUSNTONTJOCKR-UHFFFAOYSA-N	1	1	354.439	2.428	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)CSCC#N)C2)O1	ZINC000893917860	689429210	/nfs/dbraw/zinc/42/92/10/689429210.db2.gz	DKXLTOIKINRMAC-APWZRJJASA-N	1	1	359.495	2.135	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)CSCC#N)C2)O1	ZINC000893917860	689429213	/nfs/dbraw/zinc/42/92/13/689429213.db2.gz	DKXLTOIKINRMAC-APWZRJJASA-N	1	1	359.495	2.135	20	30		FEEDMO
CCOc1cc(C[NH2+][C@H]2CCCN(O)C2=O)cc(Br)c1OC	ZINC000895164303	689669839	/nfs/dbraw/zinc/66/98/39/689669839.db2.gz	CCORCAQRHZWPCX-LBPRGKRZSA-N	1	1	373.247	2.326	20	30		FEEDMO
CN1CCN(c2cc(Br)c(C#N)cc2F)CC[N@@H+](C)CC1	ZINC000897095914	689974670	/nfs/dbraw/zinc/97/46/70/689974670.db2.gz	WUTSXFOROFBJEJ-UHFFFAOYSA-N	1	1	355.255	2.143	20	30		FEEDMO
C[C@@]1(NC(=O)NCc2nc(C#N)cs2)CC[N@@H+](Cc2ccccc2)C1	ZINC000897269401	689997873	/nfs/dbraw/zinc/99/78/73/689997873.db2.gz	DTCHAVNHVWBDKW-GOSISDBHSA-N	1	1	355.467	2.479	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)c2ccccc2C#N)C[C@H](C)O1	ZINC000900055479	690468049	/nfs/dbraw/zinc/46/80/49/690468049.db2.gz	FKAQAHCHGZNEJA-OKILXGFUSA-N	1	1	351.397	2.266	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3nccnc3Cl)CC2)cc1	ZINC000905555740	691139678	/nfs/dbraw/zinc/13/96/78/691139678.db2.gz	WDUYDJRGZCEKHD-UHFFFAOYSA-N	1	1	355.829	2.350	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3nccnc3Cl)CC2)cc1	ZINC000905555740	691139681	/nfs/dbraw/zinc/13/96/81/691139681.db2.gz	WDUYDJRGZCEKHD-UHFFFAOYSA-N	1	1	355.829	2.350	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(C#N)cc(Cl)n4)C[C@@H]3C2)cn1	ZINC001164766552	721069526	/nfs/dbraw/zinc/06/95/26/721069526.db2.gz	KUGYLIRIJBNNLI-CVEARBPZSA-N	1	1	356.861	2.298	20	30		FEEDMO
N#Cc1c[nH]c2nc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ccc12	ZINC001164866366	721099226	/nfs/dbraw/zinc/09/92/26/721099226.db2.gz	STAWTYBLMWUONA-MSOLQXFVSA-N	1	1	374.448	2.309	20	30		FEEDMO
C=CCOc1cc(C)nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1	ZINC001164781176	721411546	/nfs/dbraw/zinc/41/15/46/721411546.db2.gz	CKLGVJHBUYOYGT-HUUCEWRRSA-N	1	1	357.483	2.375	20	30		FEEDMO
COc1nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ncc1C#N	ZINC001164952594	722014735	/nfs/dbraw/zinc/01/47/35/722014735.db2.gz	OEEVYOKZOCKYJT-UHFFFAOYSA-N	1	1	364.453	2.244	20	30		FEEDMO
N#Cc1c(Cl)nccc1C(F)(F)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2	ZINC001164965970	722068179	/nfs/dbraw/zinc/06/81/79/722068179.db2.gz	UOSOEURLFCZWRF-BETUJISGSA-N	1	1	368.815	2.451	20	30		FEEDMO
N#Cc1c(Cl)nccc1C(F)(F)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2	ZINC001164965970	722068181	/nfs/dbraw/zinc/06/81/81/722068181.db2.gz	UOSOEURLFCZWRF-BETUJISGSA-N	1	1	368.815	2.451	20	30		FEEDMO
N#Cc1cc(F)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164981558	722105331	/nfs/dbraw/zinc/10/53/31/722105331.db2.gz	LSIOBGVRRSOFAP-APWZRJJASA-N	1	1	367.428	2.215	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)c1	ZINC000015297451	539615277	/nfs/dbraw/zinc/61/52/77/539615277.db2.gz	IWORKKBVNONXSU-UHFFFAOYSA-N	1	1	370.497	2.350	20	30		FEEDMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000021053266	539679941	/nfs/dbraw/zinc/67/99/41/539679941.db2.gz	IOECVOOKJLPCEK-OWCLPIDISA-N	1	1	359.470	2.330	20	30		FEEDMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000021053266	539679945	/nfs/dbraw/zinc/67/99/45/539679945.db2.gz	IOECVOOKJLPCEK-OWCLPIDISA-N	1	1	359.470	2.330	20	30		FEEDMO
N#Cc1ccc(CN2CC[NH+](C[C@H](O)COc3ccc(F)cc3)CC2)cc1	ZINC000025226838	539752039	/nfs/dbraw/zinc/75/20/39/539752039.db2.gz	CZKLHCRBOAGCHU-FQEVSTJZSA-N	1	1	369.440	2.255	20	30		FEEDMO
C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccc(CC#N)cc1	ZINC000025867993	539771281	/nfs/dbraw/zinc/77/12/81/539771281.db2.gz	QSZKERPFYPFGCB-KRWDZBQOSA-N	1	1	354.406	2.353	20	30		FEEDMO
CN(C)C(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000025793943	539769632	/nfs/dbraw/zinc/76/96/32/539769632.db2.gz	ZONHNBLQHBKIOK-UHFFFAOYSA-N	1	1	362.499	2.237	20	30		FEEDMO
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000029985937	539871387	/nfs/dbraw/zinc/87/13/87/539871387.db2.gz	JEAXQEUILAPRPF-MRXNPFEDSA-N	1	1	370.497	2.143	20	30		FEEDMO
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000029985937	539871389	/nfs/dbraw/zinc/87/13/89/539871389.db2.gz	JEAXQEUILAPRPF-MRXNPFEDSA-N	1	1	370.497	2.143	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1	ZINC000029832232	539865147	/nfs/dbraw/zinc/86/51/47/539865147.db2.gz	RNLNZCYKFZXHKH-ZIAGYGMSSA-N	1	1	356.426	2.408	20	30		FEEDMO
CCCNC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000042685279	540073799	/nfs/dbraw/zinc/07/37/99/540073799.db2.gz	OCFSMWHODHDCHD-UHFFFAOYSA-N	1	1	356.470	2.171	20	30		FEEDMO
CN(CCC#N)S(=O)(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000045797746	540228887	/nfs/dbraw/zinc/22/88/87/540228887.db2.gz	JQMWVRQBNFEKLS-MRXNPFEDSA-N	1	1	370.906	2.157	20	30		FEEDMO
C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccc(C#N)cc1	ZINC000046529100	540261338	/nfs/dbraw/zinc/26/13/38/540261338.db2.gz	CUXHMPKMEZVITN-UHFFFAOYSA-N	1	1	350.422	2.406	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1)c1ccccc1	ZINC000047981393	540338489	/nfs/dbraw/zinc/33/84/89/540338489.db2.gz	CTTIGZUUJUIPQY-SFHVURJKSA-N	1	1	368.481	2.171	20	30		FEEDMO
C=CCN(CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)Cc1cccs1	ZINC000050274457	540403383	/nfs/dbraw/zinc/40/33/83/540403383.db2.gz	JHAQHLULLADGDL-QGZVFWFLSA-N	1	1	365.543	2.209	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cscn3)CC2)cc1	ZINC000051311577	540430294	/nfs/dbraw/zinc/43/02/94/540430294.db2.gz	MVNBEYFYTVSOBH-UHFFFAOYSA-N	1	1	355.467	2.432	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000052801549	540490219	/nfs/dbraw/zinc/49/02/19/540490219.db2.gz	RGITYBZCTDSNCP-KRWDZBQOSA-N	1	1	353.470	2.079	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000052801549	540490220	/nfs/dbraw/zinc/49/02/20/540490220.db2.gz	RGITYBZCTDSNCP-KRWDZBQOSA-N	1	1	353.470	2.079	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000052929754	540500250	/nfs/dbraw/zinc/50/02/50/540500250.db2.gz	HRQLXCHWRWNRJN-YOEHRIQHSA-N	1	1	354.454	2.123	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000053095898	540511178	/nfs/dbraw/zinc/51/11/78/540511178.db2.gz	JVEFQQMDFBAYKQ-KRWDZBQOSA-N	1	1	368.437	2.251	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000053095898	540511181	/nfs/dbraw/zinc/51/11/81/540511181.db2.gz	JVEFQQMDFBAYKQ-KRWDZBQOSA-N	1	1	368.437	2.251	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1	ZINC000054301794	540581917	/nfs/dbraw/zinc/58/19/17/540581917.db2.gz	FLEHOMCHAPBBSE-HNNXBMFYSA-N	1	1	357.454	2.290	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1C	ZINC000054851165	540615066	/nfs/dbraw/zinc/61/50/66/540615066.db2.gz	OCICGPQCHCTEMI-OAHLLOKOSA-N	1	1	372.469	2.275	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@H](O)c2ccc(F)cc2F)CC1	ZINC000066437873	541318205	/nfs/dbraw/zinc/31/82/05/541318205.db2.gz	UYWXTRCCFUEHQZ-SFHVURJKSA-N	1	1	358.392	2.477	20	30		FEEDMO
N#CCNC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1	ZINC000066497850	541328800	/nfs/dbraw/zinc/32/88/00/541328800.db2.gz	XPWWDVXVIOKRLF-ZDUSSCGKSA-N	1	1	359.817	2.209	20	30		FEEDMO
N#CCNC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1	ZINC000066497850	541328802	/nfs/dbraw/zinc/32/88/02/541328802.db2.gz	XPWWDVXVIOKRLF-ZDUSSCGKSA-N	1	1	359.817	2.209	20	30		FEEDMO
CC[NH+]1CCN(c2ccc(C(=O)N[C@]3(C#N)CCSC3)cc2F)CC1	ZINC000066917337	541393118	/nfs/dbraw/zinc/39/31/18/541393118.db2.gz	BEIWOHHNDVERQJ-SFHVURJKSA-N	1	1	362.474	2.097	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@H+]1CCCC[C@H]1C	ZINC000067326508	541444840	/nfs/dbraw/zinc/44/48/40/541444840.db2.gz	NFTBMVBJBDXJLW-OAHLLOKOSA-N	1	1	372.469	2.276	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1	ZINC000067497621	541472653	/nfs/dbraw/zinc/47/26/53/541472653.db2.gz	RMYBOOZFWRMARS-MRXNPFEDSA-N	1	1	359.470	2.428	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NCC[NH+]1Cc2ccccc2C1	ZINC000067743797	541507779	/nfs/dbraw/zinc/50/77/79/541507779.db2.gz	VWLFFTDPQCOQRI-UHFFFAOYSA-N	1	1	365.481	2.478	20	30		FEEDMO
CC(C)[C@@H](C(=O)NCc1ccc(OCC#N)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000067925903	541529033	/nfs/dbraw/zinc/52/90/33/541529033.db2.gz	OEUFNTIFXPRNES-MDZRGWNJSA-N	1	1	359.470	2.339	20	30		FEEDMO
N#CCCCCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000068895794	541637768	/nfs/dbraw/zinc/63/77/68/541637768.db2.gz	DHLVSFCKECEBTQ-UHFFFAOYSA-N	1	1	353.463	2.403	20	30		FEEDMO
CN(C1CC[NH+](Cc2ccncc2)CC1)S(=O)(=O)CCCCC#N	ZINC000068905843	541639025	/nfs/dbraw/zinc/63/90/25/541639025.db2.gz	VSARPBFIHPTJLY-UHFFFAOYSA-N	1	1	350.488	2.001	20	30		FEEDMO
Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2C#N)CC1	ZINC000072073570	541782711	/nfs/dbraw/zinc/78/27/11/541782711.db2.gz	KTVVAWVOPPVFOQ-LJQANCHMSA-N	1	1	351.450	2.429	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2CN2CCOCC2)c1	ZINC000072631229	541841121	/nfs/dbraw/zinc/84/11/21/541841121.db2.gz	XZUWJRHUOJWNQD-IBGZPJMESA-N	1	1	356.470	2.074	20	30		FEEDMO
CCC1(O)CC[NH+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000072723884	541859004	/nfs/dbraw/zinc/85/90/04/541859004.db2.gz	MSEJOUNKDINCNX-UHFFFAOYSA-N	1	1	368.399	2.410	20	30		FEEDMO
N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCCC[NH+]1CCOCC1	ZINC000073426044	541952988	/nfs/dbraw/zinc/95/29/88/541952988.db2.gz	WNMVIMYYMFCCLZ-MOPGFXCFSA-N	1	1	356.470	2.190	20	30		FEEDMO
C=CCN(CC1CCCCC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000074345616	542071933	/nfs/dbraw/zinc/07/19/33/542071933.db2.gz	BSXOFJYBUBVOGV-SFHVURJKSA-N	1	1	364.534	2.352	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000074655409	542107593	/nfs/dbraw/zinc/10/75/93/542107593.db2.gz	KTMDSDITYBFQIK-SFHVURJKSA-N	1	1	371.529	2.362	20	30		FEEDMO
CN(CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000076109772	542233952	/nfs/dbraw/zinc/23/39/52/542233952.db2.gz	QJZFLFPQOUIYHE-RXVVDRJESA-N	1	1	354.498	2.249	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)CCCCC1	ZINC000076396364	542273311	/nfs/dbraw/zinc/27/33/11/542273311.db2.gz	CAPHYQIOMCFSSO-INIZCTEOSA-N	1	1	366.469	2.251	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)CCCCC1	ZINC000076396364	542273314	/nfs/dbraw/zinc/27/33/14/542273314.db2.gz	CAPHYQIOMCFSSO-INIZCTEOSA-N	1	1	366.469	2.251	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccccc2)CC1	ZINC000078300587	542453069	/nfs/dbraw/zinc/45/30/69/542453069.db2.gz	LAFVTVIICWNIIV-KKSFZXQISA-N	1	1	370.497	2.324	20	30		FEEDMO
C[NH+]1CCN([C@@H](C(=O)NCc2cc(C#N)ccc2F)c2ccccc2)CC1	ZINC000080792978	542608675	/nfs/dbraw/zinc/60/86/75/542608675.db2.gz	QHJWYFVHHNNYAZ-HXUWFJFHSA-N	1	1	366.440	2.302	20	30		FEEDMO
CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000551750246	674161398	/nfs/dbraw/zinc/16/13/98/674161398.db2.gz	MVPQEMQGWBHIPA-CQSZACIVSA-N	1	1	360.483	2.183	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000551750246	674161399	/nfs/dbraw/zinc/16/13/99/674161399.db2.gz	MVPQEMQGWBHIPA-CQSZACIVSA-N	1	1	360.483	2.183	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000092222418	542849625	/nfs/dbraw/zinc/84/96/25/542849625.db2.gz	UDEOSHSAMCTASN-UHFFFAOYSA-N	1	1	359.474	2.283	20	30		FEEDMO
CC[N@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@@H](C)c1cccc(O)c1	ZINC000092619006	542875267	/nfs/dbraw/zinc/87/52/67/542875267.db2.gz	PTNONAZJZOOIBB-FXAWDEMLSA-N	1	1	372.513	2.467	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@@H](C)c1cccc(O)c1	ZINC000092619006	542875271	/nfs/dbraw/zinc/87/52/71/542875271.db2.gz	PTNONAZJZOOIBB-FXAWDEMLSA-N	1	1	372.513	2.467	20	30		FEEDMO
CN(C)c1nc(N2CCN(c3ccc4cc(C#N)ccc4n3)CC2)cc[nH+]1	ZINC000092914851	542895698	/nfs/dbraw/zinc/89/56/98/542895698.db2.gz	IZDJBMPHHVIRLQ-UHFFFAOYSA-N	1	1	359.437	2.289	20	30		FEEDMO
CCCC(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000101966441	543052030	/nfs/dbraw/zinc/05/20/30/543052030.db2.gz	UYPOSNAOAIZPGL-MOPGFXCFSA-N	1	1	373.497	2.121	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1F	ZINC000102962204	543086632	/nfs/dbraw/zinc/08/66/32/543086632.db2.gz	CTLRQVQULAPCLX-MRXNPFEDSA-N	1	1	370.384	2.182	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCCC[C@H]1CC(N)=O)c1cccc(Cl)c1	ZINC000103286788	543101137	/nfs/dbraw/zinc/10/11/37/543101137.db2.gz	FLZWAXJBYXUCRA-HNNXBMFYSA-N	1	1	362.861	2.317	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1	ZINC000104060658	543121201	/nfs/dbraw/zinc/12/12/01/543121201.db2.gz	RHXMEFYYTDITEG-HUUCEWRRSA-N	1	1	362.449	2.350	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C)c(S(C)(=O)=O)c2)CC1	ZINC000106035981	543186143	/nfs/dbraw/zinc/18/61/43/543186143.db2.gz	AWXRFMZCWNMMHK-UHFFFAOYSA-N	1	1	350.484	2.169	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cn3cncn3)C2)c(C#N)c1C	ZINC000106173337	543212836	/nfs/dbraw/zinc/21/28/36/543212836.db2.gz	HUZCNWMBOWIVHV-HIFRSBDPSA-N	1	1	356.430	2.099	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Cn3cncn3)C2)c(C#N)c1C	ZINC000106173337	543212837	/nfs/dbraw/zinc/21/28/37/543212837.db2.gz	HUZCNWMBOWIVHV-HIFRSBDPSA-N	1	1	356.430	2.099	20	30		FEEDMO
CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C#N)cn3)cc2F)CC1	ZINC000110286050	543354369	/nfs/dbraw/zinc/35/43/69/543354369.db2.gz	RFNWHQVIMZTINZ-UHFFFAOYSA-N	1	1	353.401	2.487	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CCC[NH+]1CCN(C)CC1	ZINC000110866701	543371092	/nfs/dbraw/zinc/37/10/92/543371092.db2.gz	QEQUGNHSUNWSME-HXUWFJFHSA-N	1	1	372.513	2.058	20	30		FEEDMO
CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1	ZINC000111226789	543386579	/nfs/dbraw/zinc/38/65/79/543386579.db2.gz	LTUYIGSCOJAIOB-LSDHHAIUSA-N	1	1	373.501	2.402	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](N2CCCC2=O)C1	ZINC000111292332	543392785	/nfs/dbraw/zinc/39/27/85/543392785.db2.gz	BNNOGWOBPAQYCF-KQNFGGRRSA-N	1	1	374.529	2.393	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](N2CCCC2=O)C1	ZINC000111292332	543392787	/nfs/dbraw/zinc/39/27/87/543392787.db2.gz	BNNOGWOBPAQYCF-KQNFGGRRSA-N	1	1	374.529	2.393	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000114598325	543525129	/nfs/dbraw/zinc/52/51/29/543525129.db2.gz	VHSHDGAJDJGPGB-VQTJNVASSA-N	1	1	369.513	2.280	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1OC	ZINC000114855721	543540792	/nfs/dbraw/zinc/54/07/92/543540792.db2.gz	JNHPHKMHNBFNKN-YXOJNZSOSA-N	1	1	372.465	2.253	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1OC	ZINC000114855721	543540794	/nfs/dbraw/zinc/54/07/94/543540794.db2.gz	JNHPHKMHNBFNKN-YXOJNZSOSA-N	1	1	372.465	2.253	20	30		FEEDMO
COCC[N@@H+](C)CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1	ZINC000115358051	543562026	/nfs/dbraw/zinc/56/20/26/543562026.db2.gz	HCZUDVAGFXICCE-UHFFFAOYSA-N	1	1	367.449	2.445	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC([N@@H+](C)CCCO)CC1	ZINC000115547015	543573095	/nfs/dbraw/zinc/57/30/95/543573095.db2.gz	RNSVAQSCHIHBHQ-SFHVURJKSA-N	1	1	372.513	2.100	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@@H](C)C1	ZINC000247469094	549338775	/nfs/dbraw/zinc/33/87/75/549338775.db2.gz	RROQHEKLSZVDFB-KBXCAEBGSA-N	1	1	366.469	2.128	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000118096639	543644479	/nfs/dbraw/zinc/64/44/79/543644479.db2.gz	QQCMHMLALBQTOD-GJZGRUSLSA-N	1	1	374.510	2.477	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000118127390	543647962	/nfs/dbraw/zinc/64/79/62/543647962.db2.gz	DGVIQEHYTDXPTC-QGZVFWFLSA-N	1	1	356.470	2.417	20	30		FEEDMO
COC(=O)[C@@H](C)C[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000120750330	543684334	/nfs/dbraw/zinc/68/43/34/543684334.db2.gz	GQHNCGQWLKJBFA-ZDUSSCGKSA-N	1	1	351.834	2.328	20	30		FEEDMO
COC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000120750330	543684337	/nfs/dbraw/zinc/68/43/37/543684337.db2.gz	GQHNCGQWLKJBFA-ZDUSSCGKSA-N	1	1	351.834	2.328	20	30		FEEDMO
C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000120113772	543675344	/nfs/dbraw/zinc/67/53/44/543675344.db2.gz	MDBMCOPUHCTMSJ-CQSZACIVSA-N	1	1	353.488	2.162	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1	ZINC000120560886	543681454	/nfs/dbraw/zinc/68/14/54/543681454.db2.gz	GRNBZAQDQCBWMP-QAPCUYQASA-N	1	1	357.454	2.133	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2C1=O	ZINC000123385322	543759140	/nfs/dbraw/zinc/75/91/40/543759140.db2.gz	FNTHRCQUAPTXAL-UKRRQHHQSA-N	1	1	355.438	2.023	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)CC1	ZINC000125228099	543868862	/nfs/dbraw/zinc/86/88/62/543868862.db2.gz	MQLKRURWSMDSRY-HNNXBMFYSA-N	1	1	357.454	2.180	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)CC1	ZINC000125228099	543868864	/nfs/dbraw/zinc/86/88/64/543868864.db2.gz	MQLKRURWSMDSRY-HNNXBMFYSA-N	1	1	357.454	2.180	20	30		FEEDMO
C[NH+]1CCN([C@H]2CCCCN(C(=O)Nc3ccc(CC#N)cc3)C2)CC1	ZINC000125420053	543880759	/nfs/dbraw/zinc/88/07/59/543880759.db2.gz	NUAOTUSFOMNGDW-IBGZPJMESA-N	1	1	355.486	2.386	20	30		FEEDMO
C=CCCOCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000127170155	543976881	/nfs/dbraw/zinc/97/68/81/543976881.db2.gz	MJJPVORJULMDBA-UHFFFAOYSA-N	1	1	356.470	2.368	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C[N@H+]1C1CC1	ZINC000127325204	543986501	/nfs/dbraw/zinc/98/65/01/543986501.db2.gz	DLOZLQIMTZKOLA-WBVHZDCISA-N	1	1	353.470	2.015	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1	ZINC000127454718	543993714	/nfs/dbraw/zinc/99/37/14/543993714.db2.gz	ZKQGUDBRNQDICN-QAPCUYQASA-N	1	1	356.470	2.341	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(C#N)c2)C[N@H+]1Cc1ccccc1	ZINC000128125493	544033884	/nfs/dbraw/zinc/03/38/84/544033884.db2.gz	OGTKRJLPHLGITE-QAPCUYQASA-N	1	1	355.463	2.500	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000133496398	544272576	/nfs/dbraw/zinc/27/25/76/544272576.db2.gz	MRVMLVIPNXZVJE-HZPDHXFCSA-N	1	1	358.442	2.163	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000133796449	544283808	/nfs/dbraw/zinc/28/38/08/544283808.db2.gz	ODRRIWUCBKELCJ-SFHVURJKSA-N	1	1	369.513	2.368	20	30		FEEDMO
CC(C)[N@@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1	ZINC000150778640	544470264	/nfs/dbraw/zinc/47/02/64/544470264.db2.gz	ANQSZKKXQITITQ-YOEHRIQHSA-N	1	1	356.470	2.271	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000151376594	544534285	/nfs/dbraw/zinc/53/42/85/544534285.db2.gz	MMCQNJJFIVVGQY-UYAOXDASSA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000151376594	544534288	/nfs/dbraw/zinc/53/42/88/544534288.db2.gz	MMCQNJJFIVVGQY-UYAOXDASSA-N	1	1	364.449	2.363	20	30		FEEDMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1	ZINC000151604250	544561550	/nfs/dbraw/zinc/56/15/50/544561550.db2.gz	UDERPVMFBQIDPP-INIZCTEOSA-N	1	1	366.387	2.320	20	30		FEEDMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000151620939	544563251	/nfs/dbraw/zinc/56/32/51/544563251.db2.gz	TUTXRCGCBUGLBJ-INIZCTEOSA-N	1	1	366.387	2.320	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[N@H+]1C1CC1	ZINC000151794533	544581356	/nfs/dbraw/zinc/58/13/56/544581356.db2.gz	ALOYNEDUMLPWRP-GDBMZVCRSA-N	1	1	370.453	2.049	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1	ZINC000151862329	544589236	/nfs/dbraw/zinc/58/92/36/544589236.db2.gz	HASRZJVANRWIGA-UKRRQHHQSA-N	1	1	370.453	2.025	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C[N@H+]1C1CC1	ZINC000151867010	544590279	/nfs/dbraw/zinc/59/02/79/544590279.db2.gz	WSKNANWDTFBUAX-ZIAGYGMSSA-N	1	1	372.494	2.372	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1	ZINC000151919144	544596047	/nfs/dbraw/zinc/59/60/47/544596047.db2.gz	LGZDEVHOHPRUDE-GOEBONIOSA-N	1	1	357.454	2.321	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO	ZINC000152196894	544623612	/nfs/dbraw/zinc/62/36/12/544623612.db2.gz	RKMPQDZFVLUDTR-UYAOXDASSA-N	1	1	373.497	2.315	20	30		FEEDMO
C[C@@H](CNC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000153291216	544757646	/nfs/dbraw/zinc/75/76/46/544757646.db2.gz	DZEYCEJDUYQDAD-GJZGRUSLSA-N	1	1	368.485	2.036	20	30		FEEDMO
CCC[N@@H+](C)[C@H](CNC(=O)Cn1cnc(C#N)n1)c1ccc(Cl)cc1	ZINC000553027406	674234163	/nfs/dbraw/zinc/23/41/63/674234163.db2.gz	YPNZOGXMPFDLPG-OAHLLOKOSA-N	1	1	360.849	2.002	20	30		FEEDMO
C[C@H]1CN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC[N@H+]1CCO	ZINC000553540388	674269247	/nfs/dbraw/zinc/26/92/47/674269247.db2.gz	LXGRTBZGFDQIPW-JTQLQIEISA-N	1	1	350.344	2.027	20	30		FEEDMO
COC(=O)COc1ccc(C[N@H+](C)Cc2cnc3ccc(C#N)cn23)cc1	ZINC000187435835	328025235	/nfs/dbraw/zinc/02/52/35/328025235.db2.gz	JVLCEUMLCOELEO-UHFFFAOYSA-N	1	1	364.405	2.390	20	30		FEEDMO
COC(=O)COc1ccc(C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cc1	ZINC000187435835	328025237	/nfs/dbraw/zinc/02/52/37/328025237.db2.gz	JVLCEUMLCOELEO-UHFFFAOYSA-N	1	1	364.405	2.390	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1	ZINC000188926984	328118209	/nfs/dbraw/zinc/11/82/09/328118209.db2.gz	GDRQCXYZCOJUJQ-UHFFFAOYSA-N	1	1	365.437	2.020	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NCC[N@H+](C)C3CCCC3)CC2)o1	ZINC000188928617	328118402	/nfs/dbraw/zinc/11/84/02/328118402.db2.gz	MICBEIISAPUHFQ-UHFFFAOYSA-N	1	1	359.474	2.062	20	30		FEEDMO
COC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1	ZINC000189415403	328146828	/nfs/dbraw/zinc/14/68/28/328146828.db2.gz	SICLGDUTRWGKBA-SWLSCSKDSA-N	1	1	351.834	2.276	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000192980580	328350498	/nfs/dbraw/zinc/35/04/98/328350498.db2.gz	BQDVTVARWZGFDJ-SFHVURJKSA-N	1	1	355.463	2.359	20	30		FEEDMO
N#Cc1ccccc1S(=O)(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000192988048	328350853	/nfs/dbraw/zinc/35/08/53/328350853.db2.gz	XHSZCJXUGARDGR-QGZVFWFLSA-N	1	1	355.463	2.359	20	30		FEEDMO
CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1O	ZINC000553896173	674292884	/nfs/dbraw/zinc/29/28/84/674292884.db2.gz	SLLCCEBBJWAHPE-HZPDHXFCSA-N	1	1	353.507	2.025	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000081364151	325172318	/nfs/dbraw/zinc/17/23/18/325172318.db2.gz	ZGXZLYNATRXSDD-HNNXBMFYSA-N	1	1	366.469	2.130	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCCN(c2cccc(F)c2)C1=O	ZINC000089942681	325344046	/nfs/dbraw/zinc/34/40/46/325344046.db2.gz	VAEUYPWNDOCISS-KRWDZBQOSA-N	1	1	370.432	2.063	20	30		FEEDMO
C[NH+]1CCN([C@@H]2CCCCN(C(=O)/C=C/c3cccc(C#N)c3)C2)CC1	ZINC000091688251	325390183	/nfs/dbraw/zinc/39/01/83/325390183.db2.gz	OSWSHLFMAZVFFA-NDDJGDGRSA-N	1	1	352.482	2.200	20	30		FEEDMO
CN1CCN(C(=O)CC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)CC1	ZINC000109789580	325677449	/nfs/dbraw/zinc/67/74/49/325677449.db2.gz	HEDAXKSMUYOCRU-UHFFFAOYSA-N	1	1	358.461	2.073	20	30		FEEDMO
CCCCNC(=O)CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000116272185	326003194	/nfs/dbraw/zinc/00/31/94/326003194.db2.gz	FYPMRCZCBMQAJB-UHFFFAOYSA-N	1	1	371.441	2.235	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)cn1	ZINC000121141059	326316616	/nfs/dbraw/zinc/31/66/16/326316616.db2.gz	OELZONPUKVYIQT-UHFFFAOYSA-N	1	1	374.404	2.045	20	30		FEEDMO
CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cn2ccccc2c1C#N	ZINC000121232817	326323748	/nfs/dbraw/zinc/32/37/48/326323748.db2.gz	UGSJBNYDMZCTLK-INIZCTEOSA-N	1	1	360.483	2.105	20	30		FEEDMO
CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N	ZINC000121232817	326323750	/nfs/dbraw/zinc/32/37/50/326323750.db2.gz	UGSJBNYDMZCTLK-INIZCTEOSA-N	1	1	360.483	2.105	20	30		FEEDMO
CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000127263898	326503127	/nfs/dbraw/zinc/50/31/27/326503127.db2.gz	DJDSHBDCWJBYRZ-AWEZNQCLSA-N	1	1	370.375	2.497	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1F	ZINC000162349560	327023220	/nfs/dbraw/zinc/02/32/20/327023220.db2.gz	RVQCKMLAOWZIBZ-KSSFIOAISA-N	1	1	373.453	2.496	20	30		FEEDMO
CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)nc2)[NH+](C)C)cc1	ZINC000170655536	327091363	/nfs/dbraw/zinc/09/13/63/327091363.db2.gz	BIXAKUNXJCPJNG-GOSISDBHSA-N	1	1	358.467	2.097	20	30		FEEDMO
CNC(=O)CC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1	ZINC000170783152	327099050	/nfs/dbraw/zinc/09/90/50/327099050.db2.gz	WBVZQRHHBCXWJH-UHFFFAOYSA-N	1	1	373.501	2.488	20	30		FEEDMO
CNC(=O)CC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1	ZINC000170783152	327099051	/nfs/dbraw/zinc/09/90/51/327099051.db2.gz	WBVZQRHHBCXWJH-UHFFFAOYSA-N	1	1	373.501	2.488	20	30		FEEDMO
C[NH+]1CCC(CNC(=O)COc2ccccc2C#N)(N2CCCCC2)CC1	ZINC000172751041	327216977	/nfs/dbraw/zinc/21/69/77/327216977.db2.gz	FBTFGADWMMWYHZ-UHFFFAOYSA-N	1	1	370.497	2.004	20	30		FEEDMO
Cc1nsc(N2CCC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000174801609	327352144	/nfs/dbraw/zinc/35/21/44/327352144.db2.gz	BNHQBSGTRXOWQK-UHFFFAOYSA-N	1	1	370.482	2.259	20	30		FEEDMO
Cc1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1C#N	ZINC000261751309	328816878	/nfs/dbraw/zinc/81/68/78/328816878.db2.gz	QFEYIEXMTHIHNH-QGZVFWFLSA-N	1	1	359.426	2.341	20	30		FEEDMO
C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264141122	328994501	/nfs/dbraw/zinc/99/45/01/328994501.db2.gz	ODNVYDIMNWUMEI-KXBFYZLASA-N	1	1	357.454	2.085	20	30		FEEDMO
CCNC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc1	ZINC000264864459	329068820	/nfs/dbraw/zinc/06/88/20/329068820.db2.gz	LIEAKLAMPVWHIJ-UHFFFAOYSA-N	1	1	363.465	2.415	20	30		FEEDMO
N#Cc1cccc(NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)n1	ZINC000265593688	329141390	/nfs/dbraw/zinc/14/13/90/329141390.db2.gz	YNRNNPSXCOEVRC-UHFFFAOYSA-N	1	1	365.437	2.226	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1	ZINC000266929368	329273667	/nfs/dbraw/zinc/27/36/67/329273667.db2.gz	PKDMFJOVPPQYJR-AWEZNQCLSA-N	1	1	374.441	2.058	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC[C@@H]21	ZINC000286427316	330184311	/nfs/dbraw/zinc/18/43/11/330184311.db2.gz	BLXVYNDVRREOCB-LMMKCTJWSA-N	1	1	370.472	2.466	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@]2(C1)CCCOC2	ZINC000367068194	330213426	/nfs/dbraw/zinc/21/34/26/330213426.db2.gz	PUQHZGOJBGYHSM-HXUWFJFHSA-N	1	1	365.437	2.185	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@]2(C1)CCCOC2	ZINC000367068194	330213427	/nfs/dbraw/zinc/21/34/27/330213427.db2.gz	PUQHZGOJBGYHSM-HXUWFJFHSA-N	1	1	365.437	2.185	20	30		FEEDMO
C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000367117684	330218557	/nfs/dbraw/zinc/21/85/57/330218557.db2.gz	RUJTUZWWVDTXSO-HXUWFJFHSA-N	1	1	356.514	2.287	20	30		FEEDMO
CN1CCN(C[C@@H]2CCC[N@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000367117684	330218559	/nfs/dbraw/zinc/21/85/59/330218559.db2.gz	RUJTUZWWVDTXSO-HXUWFJFHSA-N	1	1	356.514	2.287	20	30		FEEDMO
CN1CCN(C[C@@H]2CCC[N@@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000367117684	330218561	/nfs/dbraw/zinc/21/85/61/330218561.db2.gz	RUJTUZWWVDTXSO-HXUWFJFHSA-N	1	1	356.514	2.287	20	30		FEEDMO
Cc1cccc(N2CCC(NS(=O)(=O)c3ccc(C#N)s3)CC2)[nH+]1	ZINC000367189731	330227715	/nfs/dbraw/zinc/22/77/15/330227715.db2.gz	WZXJCBRWYWZAOZ-UHFFFAOYSA-N	1	1	362.480	2.271	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C#N	ZINC000155965621	545587378	/nfs/dbraw/zinc/58/73/78/545587378.db2.gz	ZDUPIEPMVFNXMC-BEFAXECRSA-N	1	1	366.465	2.281	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000156358522	545621518	/nfs/dbraw/zinc/62/15/18/545621518.db2.gz	CFTLPDXSNCUGMX-WBVHZDCISA-N	1	1	374.460	2.261	20	30		FEEDMO
N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000157204101	545713889	/nfs/dbraw/zinc/71/38/89/545713889.db2.gz	YXZXUJYZSIWLJR-SFHVURJKSA-N	1	1	369.490	2.401	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000157356793	545730902	/nfs/dbraw/zinc/73/09/02/545730902.db2.gz	NIMKMTKNHZVBIO-CJNGLKHVSA-N	1	1	360.845	2.093	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)[N@H+]3CCC[C@@H](C)C3)cc2C1=O	ZINC000478528567	561169008	/nfs/dbraw/zinc/16/90/08/561169008.db2.gz	JXIAHUZXQVKZCO-CABCVRRESA-N	1	1	369.465	2.319	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccs3)CC2)cc1	ZINC000160321961	546031027	/nfs/dbraw/zinc/03/10/27/546031027.db2.gz	UOQDBUFWLPDFTO-QGZVFWFLSA-N	1	1	357.479	2.376	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000161264362	546115471	/nfs/dbraw/zinc/11/54/71/546115471.db2.gz	DSZJTEOOTSJWRA-QGZVFWFLSA-N	1	1	372.469	2.275	20	30		FEEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C)C[NH+]1CCOCC1	ZINC000163331259	546143421	/nfs/dbraw/zinc/14/34/21/546143421.db2.gz	IZVZQWLMJMNQEC-KRWDZBQOSA-N	1	1	356.470	2.224	20	30		FEEDMO
N#CC1(CS(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1	ZINC000165237988	546152076	/nfs/dbraw/zinc/15/20/76/546152076.db2.gz	KDHSSGRYOQUMJA-AYHJJNSGSA-N	1	1	359.495	2.405	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1cccs1	ZINC000165670776	546153332	/nfs/dbraw/zinc/15/33/32/546153332.db2.gz	FZHIIRVBKZILJT-DZGCQCFKSA-N	1	1	353.513	2.354	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](CCC(N)=O)C1	ZINC000170734082	546174376	/nfs/dbraw/zinc/17/43/76/546174376.db2.gz	BZNXJDODICWLQZ-CHWSQXEVSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](CCC(N)=O)C1	ZINC000170734082	546174377	/nfs/dbraw/zinc/17/43/77/546174377.db2.gz	BZNXJDODICWLQZ-CHWSQXEVSA-N	1	1	374.510	2.413	20	30		FEEDMO
C=CC[NH+]1CCC(NCc2ccccc2OCC(=O)NCC2CC2)CC1	ZINC000172065084	546235540	/nfs/dbraw/zinc/23/55/40/546235540.db2.gz	GRCNPTXBOJFSMO-UHFFFAOYSA-N	1	1	357.498	2.332	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](OCCO)C1	ZINC000172297076	546244781	/nfs/dbraw/zinc/24/47/81/546244781.db2.gz	QVAUEGRSLKZVBO-HOTGVXAUSA-N	1	1	352.500	2.125	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](OCCO)C1	ZINC000172297076	546244783	/nfs/dbraw/zinc/24/47/83/546244783.db2.gz	QVAUEGRSLKZVBO-HOTGVXAUSA-N	1	1	352.500	2.125	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000173798322	546286555	/nfs/dbraw/zinc/28/65/55/546286555.db2.gz	PFESDSPNODSEET-HNNXBMFYSA-N	1	1	374.441	2.446	20	30		FEEDMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12	ZINC000174846138	546304342	/nfs/dbraw/zinc/30/43/42/546304342.db2.gz	AZAOVRUKTYFYGU-HUUCEWRRSA-N	1	1	352.438	2.323	20	30		FEEDMO
CNC(=O)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1	ZINC000175031750	546305595	/nfs/dbraw/zinc/30/55/95/546305595.db2.gz	DHQNHUDHOHYEFU-HNNXBMFYSA-N	1	1	374.460	2.309	20	30		FEEDMO
CNC(=O)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1	ZINC000175031767	546305823	/nfs/dbraw/zinc/30/58/23/546305823.db2.gz	DHQNHUDHOHYEFU-OAHLLOKOSA-N	1	1	374.460	2.309	20	30		FEEDMO
CC[NH+]1CCN(C(=O)Cc2ccc(NCc3cc(C#N)n(C)c3)cc2)CC1	ZINC000480247415	561205684	/nfs/dbraw/zinc/20/56/84/561205684.db2.gz	ADQIBYCXNAKUIR-UHFFFAOYSA-N	1	1	365.481	2.215	20	30		FEEDMO
CC[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000177421385	546613658	/nfs/dbraw/zinc/61/36/58/546613658.db2.gz	OWFTZSNIDGWWEC-HKUYNNGSSA-N	1	1	352.438	2.296	20	30		FEEDMO
CC[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000177421385	546613666	/nfs/dbraw/zinc/61/36/66/546613666.db2.gz	OWFTZSNIDGWWEC-HKUYNNGSSA-N	1	1	352.438	2.296	20	30		FEEDMO
CC[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000177421415	546614022	/nfs/dbraw/zinc/61/40/22/546614022.db2.gz	OWFTZSNIDGWWEC-PKOBYXMFSA-N	1	1	352.438	2.296	20	30		FEEDMO
CC[C@H](NC(=O)c1cc(C#N)c[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000177421415	546614025	/nfs/dbraw/zinc/61/40/25/546614025.db2.gz	OWFTZSNIDGWWEC-PKOBYXMFSA-N	1	1	352.438	2.296	20	30		FEEDMO
CC(C)OCCN1CCC([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000177487916	546628797	/nfs/dbraw/zinc/62/87/97/546628797.db2.gz	YZBLZPQRUHFMDO-HXUWFJFHSA-N	1	1	370.497	2.143	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)nn(CCC#N)c1C	ZINC000177812540	546689969	/nfs/dbraw/zinc/68/99/69/546689969.db2.gz	DVPPNIZHFYRRJQ-MSOLQXFVSA-N	1	1	357.502	2.431	20	30		FEEDMO
CS(=O)(=O)Nc1cccc2c1CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C2	ZINC000177999011	546720124	/nfs/dbraw/zinc/72/01/24/546720124.db2.gz	DBUKHQVRZDMXMK-LJQANCHMSA-N	1	1	371.462	2.021	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)nc1	ZINC000178145616	546747167	/nfs/dbraw/zinc/74/71/67/546747167.db2.gz	GJAMKPSTKVEAAP-SFHVURJKSA-N	1	1	367.497	2.256	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1	ZINC000481618162	561237393	/nfs/dbraw/zinc/23/73/93/561237393.db2.gz	CBDRNPPPLXXNDV-INIZCTEOSA-N	1	1	361.461	2.203	20	30		FEEDMO
C[N@@H+](CCCO)C1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000179751164	547007875	/nfs/dbraw/zinc/00/78/75/547007875.db2.gz	KQSLWOIKGHNEHI-UHFFFAOYSA-N	1	1	361.511	2.097	20	30		FEEDMO
N#Cc1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)cc1	ZINC000180879286	547200100	/nfs/dbraw/zinc/20/01/00/547200100.db2.gz	DYJKFBAISNRIMC-NRFANRHFSA-N	1	1	363.461	2.374	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2Br)C[C@H]1C	ZINC000181093871	547247939	/nfs/dbraw/zinc/24/79/39/547247939.db2.gz	YVHASOJKSJQYLD-CHWSQXEVSA-N	1	1	352.276	2.208	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(Br)c1	ZINC000181120451	547253598	/nfs/dbraw/zinc/25/35/98/547253598.db2.gz	ZNYJNOKXNXGQRU-OAHLLOKOSA-N	1	1	364.287	2.475	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c(Br)c1	ZINC000181120451	547253602	/nfs/dbraw/zinc/25/36/02/547253602.db2.gz	ZNYJNOKXNXGQRU-OAHLLOKOSA-N	1	1	364.287	2.475	20	30		FEEDMO
N#Cc1cc(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)c[nH]1	ZINC000181228156	547275318	/nfs/dbraw/zinc/27/53/18/547275318.db2.gz	NYHKCKAVZZALBT-UHFFFAOYSA-N	1	1	365.481	2.214	20	30		FEEDMO
C=C(C)C[N@@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1	ZINC000181263927	547282101	/nfs/dbraw/zinc/28/21/01/547282101.db2.gz	WQBIWSXPDPFVIQ-UHFFFAOYSA-N	1	1	353.488	2.164	20	30		FEEDMO
C=C(C)C[N@H+](C)CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1	ZINC000181263927	547282105	/nfs/dbraw/zinc/28/21/05/547282105.db2.gz	WQBIWSXPDPFVIQ-UHFFFAOYSA-N	1	1	353.488	2.164	20	30		FEEDMO
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2OC)c1	ZINC000181929368	547407103	/nfs/dbraw/zinc/40/71/03/547407103.db2.gz	IGIDIOAHPOOAAP-CYBMUJFWSA-N	1	1	359.451	2.326	20	30		FEEDMO
C[C@@H](C#N)CNC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000182611450	547521918	/nfs/dbraw/zinc/52/19/18/547521918.db2.gz	XZEHLGDSTXYJNN-HNNXBMFYSA-N	1	1	363.893	2.311	20	30		FEEDMO
COc1c(C)c[nH+]c(CN2CCC(N(C)C(=O)NC[C@@H](C)C#N)CC2)c1C	ZINC000182868111	547564046	/nfs/dbraw/zinc/56/40/46/547564046.db2.gz	CKIWUEPVSYWYAW-AWEZNQCLSA-N	1	1	373.501	2.473	20	30		FEEDMO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1	ZINC000183186170	547618148	/nfs/dbraw/zinc/61/81/48/547618148.db2.gz	RSQZOVKKHQJYEY-WSTZPKSXSA-N	1	1	370.472	2.266	20	30		FEEDMO
CCC(CC)C[N@@H+](CCC#N)CCC(=O)N1CCN(c2ncccn2)CC1	ZINC000484930065	561308924	/nfs/dbraw/zinc/30/89/24/561308924.db2.gz	ZCWWHSWYMDWSLL-UHFFFAOYSA-N	1	1	372.517	2.167	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1C#N	ZINC000184546225	547843619	/nfs/dbraw/zinc/84/36/19/547843619.db2.gz	MNSHLDAFYXGXCE-INIZCTEOSA-N	1	1	373.501	2.493	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000185322937	547971304	/nfs/dbraw/zinc/97/13/04/547971304.db2.gz	XKRIOXJEYCINNF-UHFFFAOYSA-N	1	1	352.847	2.427	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000186113645	548086515	/nfs/dbraw/zinc/08/65/15/548086515.db2.gz	IYWGQGSZKKACLZ-MRXNPFEDSA-N	1	1	350.532	2.472	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)CCO1	ZINC000186790043	548194442	/nfs/dbraw/zinc/19/44/42/548194442.db2.gz	IXCRTRCPIHTCOT-INIZCTEOSA-N	1	1	353.466	2.302	20	30		FEEDMO
C=C(C)[C@H]([NH2+][C@H](C)C(=O)N(C)CC(=O)NC1CC1)c1ccc(F)c(F)c1	ZINC000187766222	548262695	/nfs/dbraw/zinc/26/26/95/548262695.db2.gz	KPCRHBBYRKMVOR-XIKOKIGWSA-N	1	1	365.424	2.297	20	30		FEEDMO
COCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1	ZINC000189703022	548308216	/nfs/dbraw/zinc/30/82/16/548308216.db2.gz	CCVATEMPDCXKPG-HKUYNNGSSA-N	1	1	359.470	2.368	20	30		FEEDMO
COCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1	ZINC000189703022	548308220	/nfs/dbraw/zinc/30/82/20/548308220.db2.gz	CCVATEMPDCXKPG-HKUYNNGSSA-N	1	1	359.470	2.368	20	30		FEEDMO
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CC#Cc2ccccc2)CC1	ZINC000192033691	548355702	/nfs/dbraw/zinc/35/57/02/548355702.db2.gz	FDGXHYJNNJILGP-UHFFFAOYSA-N	1	1	355.526	2.454	20	30		FEEDMO
C=CCSCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000192364140	548362514	/nfs/dbraw/zinc/36/25/14/548362514.db2.gz	JSELQJKTRQTOLC-SFHVURJKSA-N	1	1	363.527	2.496	20	30		FEEDMO
C=CCNC(=O)C[N@@H+](CCC(=O)OC)Cc1cccc(Br)c1	ZINC000192330704	548362590	/nfs/dbraw/zinc/36/25/90/548362590.db2.gz	FFQBDWXVAPYXNQ-UHFFFAOYSA-N	1	1	369.259	2.116	20	30		FEEDMO
C=CCNC(=O)C[N@H+](CCC(=O)OC)Cc1cccc(Br)c1	ZINC000192330704	548362591	/nfs/dbraw/zinc/36/25/91/548362591.db2.gz	FFQBDWXVAPYXNQ-UHFFFAOYSA-N	1	1	369.259	2.116	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1	ZINC000192818483	548374051	/nfs/dbraw/zinc/37/40/51/548374051.db2.gz	XUCFAHDUFZTCDA-UHFFFAOYSA-N	1	1	374.890	2.286	20	30		FEEDMO
C=CCSCCNC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000194564100	548499573	/nfs/dbraw/zinc/49/95/73/548499573.db2.gz	OIKYMVVRTLGTDX-QGZVFWFLSA-N	1	1	362.543	2.416	20	30		FEEDMO
C=CCSCCNC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000194565679	548499772	/nfs/dbraw/zinc/49/97/72/548499772.db2.gz	RVZUUFUZYISIKH-UHFFFAOYSA-N	1	1	362.543	2.152	20	30		FEEDMO
C[C@H](C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(C#N)c1	ZINC000486623509	561352756	/nfs/dbraw/zinc/35/27/56/561352756.db2.gz	LXCOOYZCOOGIIE-KKSFZXQISA-N	1	1	363.461	2.197	20	30		FEEDMO
COc1cc(C)nc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000486889953	561359055	/nfs/dbraw/zinc/35/90/55/561359055.db2.gz	YJASTZSEDWZCTD-LJQANCHMSA-N	1	1	350.422	2.161	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(C)=O)C1	ZINC000195718914	548656211	/nfs/dbraw/zinc/65/62/11/548656211.db2.gz	HRUNGIOVUMUSOA-RDJZCZTQSA-N	1	1	363.527	2.499	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1	ZINC000487193328	561365764	/nfs/dbraw/zinc/36/57/64/561365764.db2.gz	VWBZALHQHKOBJU-KRWDZBQOSA-N	1	1	360.458	2.387	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1	ZINC000487794228	561375919	/nfs/dbraw/zinc/37/59/19/561375919.db2.gz	DKMHCDGDSLJOTG-MRXNPFEDSA-N	1	1	363.527	2.296	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)CC1	ZINC000245554525	548945201	/nfs/dbraw/zinc/94/52/01/548945201.db2.gz	HDNRQXQFTMMTOB-APWZRJJASA-N	1	1	358.486	2.077	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)CC1	ZINC000245554525	548945203	/nfs/dbraw/zinc/94/52/03/548945203.db2.gz	HDNRQXQFTMMTOB-APWZRJJASA-N	1	1	358.486	2.077	20	30		FEEDMO
C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)C[C@@H](C)O1	ZINC000245559320	548946886	/nfs/dbraw/zinc/94/68/86/548946886.db2.gz	LVGUUKFHELNPRR-JFIYKMOQSA-N	1	1	353.470	2.280	20	30		FEEDMO
C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O	ZINC000245798776	548995982	/nfs/dbraw/zinc/99/59/82/548995982.db2.gz	HIRBGAJLKXQZPK-ICSRJNTNSA-N	1	1	365.433	2.035	20	30		FEEDMO
C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O	ZINC000245798776	548995984	/nfs/dbraw/zinc/99/59/84/548995984.db2.gz	HIRBGAJLKXQZPK-ICSRJNTNSA-N	1	1	365.433	2.035	20	30		FEEDMO
N#Cc1ccc(CCC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1	ZINC000245860044	549005668	/nfs/dbraw/zinc/00/56/68/549005668.db2.gz	KQDDSZXZXADTQS-LEWJYISDSA-N	1	1	363.461	2.242	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c1C	ZINC000245874288	549008022	/nfs/dbraw/zinc/00/80/22/549008022.db2.gz	XKHARMZCLFAWAU-WBVHZDCISA-N	1	1	356.470	2.136	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1	ZINC000245928970	549022765	/nfs/dbraw/zinc/02/27/65/549022765.db2.gz	UOLZRHJXRJVEAB-ROUUACIJSA-N	1	1	368.412	2.454	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)c2ccc(C#N)cn2)[C@@H](c2ccccc2)C1	ZINC000245946215	549025874	/nfs/dbraw/zinc/02/58/74/549025874.db2.gz	WSRIZKJWPBUHMY-HXUWFJFHSA-N	1	1	363.465	2.062	20	30		FEEDMO
CN1CC[N@H+](CCCNC(=O)c2ccc(C#N)cn2)[C@@H](c2ccccc2)C1	ZINC000245946215	549025880	/nfs/dbraw/zinc/02/58/80/549025880.db2.gz	WSRIZKJWPBUHMY-HXUWFJFHSA-N	1	1	363.465	2.062	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)c2ccc(C#N)cn2)[C@@H](c2ccccc2)C1	ZINC000245946215	549025884	/nfs/dbraw/zinc/02/58/84/549025884.db2.gz	WSRIZKJWPBUHMY-HXUWFJFHSA-N	1	1	363.465	2.062	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2Cc3ccccc3C[C@H]2C)CC1	ZINC000245999427	549033792	/nfs/dbraw/zinc/03/37/92/549033792.db2.gz	IWXFMOGNCHWNNT-YLJYHZDGSA-N	1	1	354.498	2.126	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000246200361	549075785	/nfs/dbraw/zinc/07/57/85/549075785.db2.gz	ORXJOHKHOOGZCY-KGLIPLIRSA-N	1	1	353.875	2.459	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1C[C@H](C(=O)OC)C[C@H](c2ccccc2)C1	ZINC000246207612	549078132	/nfs/dbraw/zinc/07/81/32/549078132.db2.gz	BUZPMYAUBJHRIZ-ZWKOTPCHSA-N	1	1	357.454	2.027	20	30		FEEDMO
COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1	ZINC000246254612	549089724	/nfs/dbraw/zinc/08/97/24/549089724.db2.gz	JVYVGELHRTWUPB-CSODHUTKSA-N	1	1	369.465	2.074	20	30		FEEDMO
COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1	ZINC000246254612	549089726	/nfs/dbraw/zinc/08/97/26/549089726.db2.gz	JVYVGELHRTWUPB-CSODHUTKSA-N	1	1	369.465	2.074	20	30		FEEDMO
C=CCn1cccc1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1	ZINC000488929796	561399896	/nfs/dbraw/zinc/39/98/96/561399896.db2.gz	DHKVVEDOMHDHFE-KRWDZBQOSA-N	1	1	353.470	2.010	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1cccs1	ZINC000488999299	561401313	/nfs/dbraw/zinc/40/13/13/561401313.db2.gz	GBHKLSWBCYOTNS-AWEZNQCLSA-N	1	1	353.444	2.340	20	30		FEEDMO
CN(Cc1ccc(C#N)cc1)C(=O)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000248061652	549403413	/nfs/dbraw/zinc/40/34/13/549403413.db2.gz	QGBBFTFIHIGTSX-UHFFFAOYSA-N	1	1	362.477	2.334	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000248634486	549472511	/nfs/dbraw/zinc/47/25/11/549472511.db2.gz	JNRWAISVCCKVAE-ZNMIVQPWSA-N	1	1	365.499	2.212	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C	ZINC000249639061	549613764	/nfs/dbraw/zinc/61/37/64/549613764.db2.gz	XLGBONKMUWUMQG-XNJGSVPQSA-N	1	1	360.483	2.134	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3C[C@H]4OCCC[C@@H]34)CC2)cc1	ZINC000251614105	549648417	/nfs/dbraw/zinc/64/84/17/549648417.db2.gz	GGZXPKIURPFRCO-XUVXKRRUSA-N	1	1	368.481	2.343	20	30		FEEDMO
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1CN(C2CC2)C[C@H]1C	ZINC000261955262	549773649	/nfs/dbraw/zinc/77/36/49/549773649.db2.gz	IOXVSBHKDVLEMJ-MWLCHTKSSA-N	1	1	361.437	2.310	20	30		FEEDMO
N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1	ZINC000263676440	549918068	/nfs/dbraw/zinc/91/80/68/549918068.db2.gz	IAUSFWWHTUQINP-PKOBYXMFSA-N	1	1	353.470	2.017	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000263789779	549937431	/nfs/dbraw/zinc/93/74/31/549937431.db2.gz	XDXDFQULFZQHPN-INIZCTEOSA-N	1	1	356.470	2.371	20	30		FEEDMO
COC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC	ZINC000264972403	550004063	/nfs/dbraw/zinc/00/40/63/550004063.db2.gz	GLZHZBNWBNROCR-GJZGRUSLSA-N	1	1	361.442	2.071	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CNc1cccc([C@@H](C)[NH+]2CCOCC2)c1	ZINC000267984047	550036438	/nfs/dbraw/zinc/03/64/38/550036438.db2.gz	HKTCCIMKCARJBH-IAGOWNOFSA-N	1	1	358.486	2.500	20	30		FEEDMO
C=CC[N@H+](CCc1ccco1)CC(=O)NC[C@H]1COc2ccccc2O1	ZINC000491354477	561444880	/nfs/dbraw/zinc/44/48/80/561444880.db2.gz	BVVWTIJCWWANIS-KRWDZBQOSA-N	1	1	356.422	2.266	20	30		FEEDMO
C=CC[N@@H+](CCc1ccco1)CC(=O)NC[C@H]1COc2ccccc2O1	ZINC000491354477	561444881	/nfs/dbraw/zinc/44/48/81/561444881.db2.gz	BVVWTIJCWWANIS-KRWDZBQOSA-N	1	1	356.422	2.266	20	30		FEEDMO
C=CC[N@H+](CCc1ccco1)CC(=O)NCCN1CCc2ccccc21	ZINC000491422974	561445423	/nfs/dbraw/zinc/44/54/23/561445423.db2.gz	KZJATAJWNHCTBU-UHFFFAOYSA-N	1	1	353.466	2.489	20	30		FEEDMO
C=CC[N@@H+](CCc1ccco1)CC(=O)NCCN1CCc2ccccc21	ZINC000491422974	561445424	/nfs/dbraw/zinc/44/54/24/561445424.db2.gz	KZJATAJWNHCTBU-UHFFFAOYSA-N	1	1	353.466	2.489	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl)[N@H+]1CCC[C@@H](C)C1	ZINC000269108966	550156491	/nfs/dbraw/zinc/15/64/91/550156491.db2.gz	PWEIKSVJHHOPDE-CHWSQXEVSA-N	1	1	362.861	2.387	20	30		FEEDMO
C#CC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccccc1	ZINC000270370951	550266046	/nfs/dbraw/zinc/26/60/46/550266046.db2.gz	TXUAMKFBRRQNAJ-FQEVSTJZSA-N	1	1	356.514	2.418	20	30		FEEDMO
C#CC[C@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1	ZINC000270370951	550266048	/nfs/dbraw/zinc/26/60/48/550266048.db2.gz	TXUAMKFBRRQNAJ-FQEVSTJZSA-N	1	1	356.514	2.418	20	30		FEEDMO
CN1CC[C@H](CNC(=[NH2+])N2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000270538549	550281505	/nfs/dbraw/zinc/28/15/05/550281505.db2.gz	BGSBAYVQPSYHGW-CZUORRHYSA-N	1	1	354.857	2.119	20	30		FEEDMO
CS(=O)(=O)c1ccc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1	ZINC000271803733	550402880	/nfs/dbraw/zinc/40/28/80/550402880.db2.gz	POUURZNNVLQCGN-UHFFFAOYSA-N	1	1	369.446	2.179	20	30		FEEDMO
C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000272405822	550444655	/nfs/dbraw/zinc/44/46/55/550444655.db2.gz	KPQURQZRTKWBML-DOTOQJQBSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000272405823	550444734	/nfs/dbraw/zinc/44/47/34/550444734.db2.gz	KPQURQZRTKWBML-NVXWUHKLSA-N	1	1	370.478	2.142	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1	ZINC000272457899	550450063	/nfs/dbraw/zinc/45/00/63/550450063.db2.gz	DAXRXAWNODBPBI-ZDUSSCGKSA-N	1	1	370.419	2.333	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CO)c1cnn(C)c1	ZINC000275220816	550571065	/nfs/dbraw/zinc/57/10/65/550571065.db2.gz	UIZFAEBMZIVQAK-XJKSGUPXSA-N	1	1	373.482	2.076	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](CCO)C2CCOCC2)c1	ZINC000275476445	550572383	/nfs/dbraw/zinc/57/23/83/550572383.db2.gz	DHYFEMYRHMVPHJ-UHFFFAOYSA-N	1	1	359.470	2.023	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1	ZINC000276872058	550605771	/nfs/dbraw/zinc/60/57/71/550605771.db2.gz	WAJMNXFZGVFUPF-UHFFFAOYSA-N	1	1	368.412	2.252	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCc2oc(C(=O)OCC)c(C)c21	ZINC000278397596	550781190	/nfs/dbraw/zinc/78/11/90/550781190.db2.gz	FIWPDVJKWLVIIY-CYBMUJFWSA-N	1	1	355.456	2.333	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000278841299	550827964	/nfs/dbraw/zinc/82/79/64/550827964.db2.gz	RMWNSCSNIZVEMA-VAMGGRTRSA-N	1	1	358.482	2.375	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccc(OCC#N)cc1	ZINC000278843793	550828110	/nfs/dbraw/zinc/82/81/10/550828110.db2.gz	LGURWTNCQMTXED-PFWMLDTASA-N	1	1	369.465	2.314	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C1=O	ZINC000281197766	551072915	/nfs/dbraw/zinc/07/29/15/551072915.db2.gz	CGKXSNQVBBQQMN-OAHLLOKOSA-N	1	1	365.861	2.396	20	30		FEEDMO
N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1	ZINC000281372749	551089410	/nfs/dbraw/zinc/08/94/10/551089410.db2.gz	OOLXQMGGVOKGHO-OCCSQVGLSA-N	1	1	350.216	2.251	20	30		FEEDMO
N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c1	ZINC000281372749	551089411	/nfs/dbraw/zinc/08/94/11/551089411.db2.gz	OOLXQMGGVOKGHO-OCCSQVGLSA-N	1	1	350.216	2.251	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1	ZINC000281637921	551123974	/nfs/dbraw/zinc/12/39/74/551123974.db2.gz	XXIPXMGQPVXUJA-IHPCNDPISA-N	1	1	358.482	2.282	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cn3cc(Cl)cc(Cl)c3n2)CC1	ZINC000282481048	551235256	/nfs/dbraw/zinc/23/52/56/551235256.db2.gz	STTXRNFXEXNMFN-UHFFFAOYSA-N	1	1	351.237	2.422	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccc(Cl)cc1	ZINC000282653149	551256264	/nfs/dbraw/zinc/25/62/64/551256264.db2.gz	MDRCGTZNRVSQDN-MRXNPFEDSA-N	1	1	364.858	2.188	20	30		FEEDMO
Cn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000283765686	551424374	/nfs/dbraw/zinc/42/43/74/551424374.db2.gz	IKSAWKCNCYETME-UHFFFAOYSA-N	1	1	359.437	2.071	20	30		FEEDMO
Cc1nn(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(=O)c(C#N)c1C	ZINC000284401994	551541762	/nfs/dbraw/zinc/54/17/62/551541762.db2.gz	ZTNGDVYVOAPBKU-SFHVURJKSA-N	1	1	352.438	2.023	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C(C)(C)S(=O)(=O)C1CC1)C(C)C	ZINC000284450650	551551770	/nfs/dbraw/zinc/55/17/70/551551770.db2.gz	VPYNUTWKOYCCEX-INIZCTEOSA-N	1	1	356.532	2.157	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C	ZINC000284832293	551645639	/nfs/dbraw/zinc/64/56/39/551645639.db2.gz	NIVJCJFADWKCIS-QFBILLFUSA-N	1	1	351.454	2.413	20	30		FEEDMO
C=CCCCCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1	ZINC000285276656	551730761	/nfs/dbraw/zinc/73/07/61/551730761.db2.gz	ZRFBJXKHXJWMPF-UHFFFAOYSA-N	1	1	358.417	2.409	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1	ZINC000285343956	551741404	/nfs/dbraw/zinc/74/14/04/551741404.db2.gz	DCZBXBIFBTXWGD-UHFFFAOYSA-N	1	1	358.461	2.468	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000286034697	551840902	/nfs/dbraw/zinc/84/09/02/551840902.db2.gz	BGLRHMWJEVCXPB-YQVWRLOYSA-N	1	1	370.472	2.466	20	30		FEEDMO
C#CC(C)(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000286426916	551884864	/nfs/dbraw/zinc/88/48/64/551884864.db2.gz	SIULIAXDOLEKRS-MOPGFXCFSA-N	1	1	350.466	2.164	20	30		FEEDMO
COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCOc2ccc(C#N)cc2OC)C1	ZINC000286503686	551893567	/nfs/dbraw/zinc/89/35/67/551893567.db2.gz	MLRLMXVNAXUXSV-INIZCTEOSA-N	1	1	372.343	2.373	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000286716063	551918061	/nfs/dbraw/zinc/91/80/61/551918061.db2.gz	PHXRNAOXLCCGFX-MJGOQNOKSA-N	1	1	355.482	2.356	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1	ZINC000286729883	551919647	/nfs/dbraw/zinc/91/96/47/551919647.db2.gz	XQZKZEFRSAOXHL-UKRRQHHQSA-N	1	1	355.360	2.380	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1	ZINC000286811629	551928731	/nfs/dbraw/zinc/92/87/31/551928731.db2.gz	UJWQIUSPYQDUQR-IBGZPJMESA-N	1	1	371.462	2.438	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)Cc1cccc(Cl)c1	ZINC000287812640	552049821	/nfs/dbraw/zinc/04/98/21/552049821.db2.gz	PHFKCAIBBXRNAB-WMLDXEAASA-N	1	1	371.872	2.116	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000288305773	552129924	/nfs/dbraw/zinc/12/99/24/552129924.db2.gz	UGUXBYDBSJRYBM-RUYXUALKSA-N	1	1	369.509	2.460	20	30		FEEDMO
C[C@H]1COCCN1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000499773903	561558186	/nfs/dbraw/zinc/55/81/86/561558186.db2.gz	PQPOJUKYNPVFRQ-LPHOPBHVSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@H]1COCC[N@@H+]1CCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000499773903	561558187	/nfs/dbraw/zinc/55/81/87/561558187.db2.gz	PQPOJUKYNPVFRQ-LPHOPBHVSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@H]1COCC[N@H+]1CCN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000499773903	561558188	/nfs/dbraw/zinc/55/81/88/561558188.db2.gz	PQPOJUKYNPVFRQ-LPHOPBHVSA-N	1	1	362.905	2.243	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1	ZINC000288518199	552167775	/nfs/dbraw/zinc/16/77/75/552167775.db2.gz	PCDCIDRSDAJLEA-AZUAARDMSA-N	1	1	357.498	2.421	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](CO)c2cccc(Cl)c2F)cc1	ZINC000499935963	561562324	/nfs/dbraw/zinc/56/23/24/561562324.db2.gz	CEMUNBTVUQGCFT-SUMWQHHRSA-N	1	1	364.804	2.414	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)CCCCCn2nnc(-c3ccccc3)n2)C1=O	ZINC000500018050	561564174	/nfs/dbraw/zinc/56/41/74/561564174.db2.gz	KNKLJQUTNRAVQT-SFHVURJKSA-N	1	1	368.485	2.229	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1	ZINC000288924337	552237070	/nfs/dbraw/zinc/23/70/70/552237070.db2.gz	MAUQBSOOOLNKEG-YJBOKZPZSA-N	1	1	368.481	2.037	20	30		FEEDMO
Cc1onc(CC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N	ZINC000500075732	561565431	/nfs/dbraw/zinc/56/54/31/561565431.db2.gz	NVPBYRBLKPMPLI-WMLDXEAASA-N	1	1	352.438	2.424	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289034049	552255960	/nfs/dbraw/zinc/25/59/60/552255960.db2.gz	GFJVEVUNBNXHRW-MJGOQNOKSA-N	1	1	357.498	2.438	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C)[C@@H](C)C1	ZINC000290321849	552460100	/nfs/dbraw/zinc/46/01/00/552460100.db2.gz	ZOFXRWOUKUCQEK-YJBOKZPZSA-N	1	1	368.485	2.432	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)N1CC[NH+](C)CC1	ZINC000290574948	552500669	/nfs/dbraw/zinc/50/06/69/552500669.db2.gz	OWDABACFQXWXSL-HNNXBMFYSA-N	1	1	365.437	2.320	20	30		FEEDMO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C	ZINC000290888723	552556465	/nfs/dbraw/zinc/55/64/65/552556465.db2.gz	BLSWXMDDWHCPHR-RDJZCZTQSA-N	1	1	357.506	2.421	20	30		FEEDMO
COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)ccc1C#N	ZINC000291519799	552633450	/nfs/dbraw/zinc/63/34/50/552633450.db2.gz	JADGUWSDJJUIFY-ZDUSSCGKSA-N	1	1	355.360	2.457	20	30		FEEDMO
COc1cc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)ccc1C#N	ZINC000291519799	552633451	/nfs/dbraw/zinc/63/34/51/552633451.db2.gz	JADGUWSDJJUIFY-ZDUSSCGKSA-N	1	1	355.360	2.457	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](n2cccn2)C1	ZINC000291846936	552667852	/nfs/dbraw/zinc/66/78/52/552667852.db2.gz	OVGRBRBCQCLZJR-IRXDYDNUSA-N	1	1	367.453	2.474	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](n2cccn2)C1	ZINC000291846936	552667854	/nfs/dbraw/zinc/66/78/54/552667854.db2.gz	OVGRBRBCQCLZJR-IRXDYDNUSA-N	1	1	367.453	2.474	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)COCc3ccccc3F)C2)nc1	ZINC000292096129	552693252	/nfs/dbraw/zinc/69/32/52/552693252.db2.gz	FXPICIPBWBOWPO-QZTJIDSGSA-N	1	1	371.412	2.123	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)COc3ccccc3Cl)C2)nc1	ZINC000292125454	552696406	/nfs/dbraw/zinc/69/64/06/552696406.db2.gz	IHMCITCIWRHFGF-HOTGVXAUSA-N	1	1	373.840	2.500	20	30		FEEDMO
Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292280556	552711657	/nfs/dbraw/zinc/71/16/57/552711657.db2.gz	SUIYFUKADLFOQV-MSOLQXFVSA-N	1	1	353.422	2.155	20	30		FEEDMO
CN(C)C(=O)c1cccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292300507	552713666	/nfs/dbraw/zinc/71/36/66/552713666.db2.gz	UUCIZCCQQYUAFC-SFHVURJKSA-N	1	1	350.422	2.308	20	30		FEEDMO
CN(C)C(=O)c1cccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292300502	552713786	/nfs/dbraw/zinc/71/37/86/552713786.db2.gz	UUCIZCCQQYUAFC-GOSISDBHSA-N	1	1	350.422	2.308	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	ZINC000292668471	552748056	/nfs/dbraw/zinc/74/80/56/552748056.db2.gz	AXCQMUZSCKXXBD-OAHLLOKOSA-N	1	1	356.401	2.195	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(OC)c1O	ZINC000292723544	552752619	/nfs/dbraw/zinc/75/26/19/552752619.db2.gz	FOIBRSOOGSXXJC-HNNXBMFYSA-N	1	1	355.394	2.329	20	30		FEEDMO
C=CCOCC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1	ZINC000292737909	552753933	/nfs/dbraw/zinc/75/39/33/552753933.db2.gz	HAYWLKQERVJWEM-KRWDZBQOSA-N	1	1	352.500	2.188	20	30		FEEDMO
COc1ccc(CCC(=O)N2CCC[N@@H+](CCOCCC#N)CC2)cc1	ZINC000293089208	552787750	/nfs/dbraw/zinc/78/77/50/552787750.db2.gz	NAMQYUZZQVUBOC-UHFFFAOYSA-N	1	1	359.470	2.092	20	30		FEEDMO
CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1	ZINC000293908765	552867052	/nfs/dbraw/zinc/86/70/52/552867052.db2.gz	AAXNTAUWUYSMOI-UHFFFAOYSA-N	1	1	365.437	2.377	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@@H]1CCCS(=O)(=O)C1)C(C)C	ZINC000294678227	552925911	/nfs/dbraw/zinc/92/59/11/552925911.db2.gz	HXUVFDDCPZYBMI-DLBZAZTESA-N	1	1	356.532	2.016	20	30		FEEDMO
C=CCOc1ccc(CC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)cc1	ZINC000295010703	552951118	/nfs/dbraw/zinc/95/11/18/552951118.db2.gz	XLKVJYKHOZSPJJ-GOSISDBHSA-N	1	1	359.514	2.184	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2	ZINC000295115689	552960413	/nfs/dbraw/zinc/96/04/13/552960413.db2.gz	JBMGDGXAHMEZQO-PKOBYXMFSA-N	1	1	374.529	2.429	20	30		FEEDMO
Cn1c([C@H]2CCCCO2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000295831930	553065421	/nfs/dbraw/zinc/06/54/21/553065421.db2.gz	CSAMTVUVTXJMJF-GOSISDBHSA-N	1	1	366.469	2.251	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1	ZINC000502322580	561616167	/nfs/dbraw/zinc/61/61/67/561616167.db2.gz	ZJTFISBOKYTMQW-INIZCTEOSA-N	1	1	367.453	2.144	20	30		FEEDMO
C=CCNC(=O)C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1	ZINC000502322580	561616168	/nfs/dbraw/zinc/61/61/68/561616168.db2.gz	ZJTFISBOKYTMQW-INIZCTEOSA-N	1	1	367.453	2.144	20	30		FEEDMO
Cc1nc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ncc1[N+](=O)[O-]	ZINC000296633296	553190847	/nfs/dbraw/zinc/19/08/47/553190847.db2.gz	VVDFLJFVAJZBOT-UHFFFAOYSA-N	1	1	352.398	2.277	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1	ZINC000296993249	553239578	/nfs/dbraw/zinc/23/95/78/553239578.db2.gz	SSLFWUOKUVPBSX-SJORKVTESA-N	1	1	351.397	2.049	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N(Cc1ccc(F)cc1)C1CCOCC1	ZINC000297175123	553259571	/nfs/dbraw/zinc/25/95/71/553259571.db2.gz	AZNSMLRGFKWKDH-UHFFFAOYSA-N	1	1	361.461	2.471	20	30		FEEDMO
Cc1nsc(NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N	ZINC000297291883	553274302	/nfs/dbraw/zinc/27/43/02/553274302.db2.gz	AOGBEFCSKWDTIR-PHIMTYICSA-N	1	1	351.476	2.333	20	30		FEEDMO
Cc1nsc(NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C#N	ZINC000297291883	553274303	/nfs/dbraw/zinc/27/43/03/553274303.db2.gz	AOGBEFCSKWDTIR-PHIMTYICSA-N	1	1	351.476	2.333	20	30		FEEDMO
CCC[C@H]1CN(C(=O)Nc2snc(C)c2C#N)CC[N@H+]1CCOC	ZINC000297523430	553304010	/nfs/dbraw/zinc/30/40/10/553304010.db2.gz	XBUWGWJYMNPBMO-ZDUSSCGKSA-N	1	1	351.476	2.288	20	30		FEEDMO
Cc1cc(N2CCC(Nc3ncc(C#N)cc3[N+](=O)[O-])CC2)nc(C)[nH+]1	ZINC000297637556	553318749	/nfs/dbraw/zinc/31/87/49/553318749.db2.gz	XNIAZEDGOLRQCH-UHFFFAOYSA-N	1	1	353.386	2.349	20	30		FEEDMO
COc1ccc(C[N@@H+](CC(=O)NC2(C#N)CCC2)CC2CC2)c(OC)c1	ZINC000503208143	561636706	/nfs/dbraw/zinc/63/67/06/561636706.db2.gz	SFTCILUVJQRJAI-UHFFFAOYSA-N	1	1	357.454	2.478	20	30		FEEDMO
COc1ccc(C[N@H+](CC(=O)NC2(C#N)CCC2)CC2CC2)c(OC)c1	ZINC000503208143	561636707	/nfs/dbraw/zinc/63/67/07/561636707.db2.gz	SFTCILUVJQRJAI-UHFFFAOYSA-N	1	1	357.454	2.478	20	30		FEEDMO
N#Cc1cnc(NCC2([NH+]3CCOCC3)CCOCC2)c2sccc21	ZINC000601173934	553356025	/nfs/dbraw/zinc/35/60/25/553356025.db2.gz	MUFFZMHLIRUJHA-UHFFFAOYSA-N	1	1	358.467	2.461	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@H](O)c1cccc(Br)c1	ZINC000298542554	553438084	/nfs/dbraw/zinc/43/80/84/553438084.db2.gz	XPOPJOTYWMDADP-WFASDCNBSA-N	1	1	368.275	2.175	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@H](O)c1cccc(Br)c1	ZINC000298542554	553438086	/nfs/dbraw/zinc/43/80/86/553438086.db2.gz	XPOPJOTYWMDADP-WFASDCNBSA-N	1	1	368.275	2.175	20	30		FEEDMO
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000298755959	553468950	/nfs/dbraw/zinc/46/89/50/553468950.db2.gz	NRQVSBVMSYKWHK-UHFFFAOYSA-N	1	1	372.469	2.164	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000299002263	553501849	/nfs/dbraw/zinc/50/18/49/553501849.db2.gz	QTCTWUAGCMMXRO-UHFFFAOYSA-N	1	1	369.425	2.019	20	30		FEEDMO
C[S@](=O)C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1	ZINC000299023305	553504844	/nfs/dbraw/zinc/50/48/44/553504844.db2.gz	REWYXRDNKPLUNF-DGUDUIIESA-N	1	1	367.474	2.373	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)N2CCC(C)(C#N)CC2)[C@@H](C)C1	ZINC000503898817	561649580	/nfs/dbraw/zinc/64/95/80/561649580.db2.gz	BWUITSJPXGMWAL-DLBZAZTESA-N	1	1	350.507	2.459	20	30		FEEDMO
CC1(C#N)CCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1	ZINC000503984507	561651234	/nfs/dbraw/zinc/65/12/34/561651234.db2.gz	FPGCSUKEXDMEAZ-UHFFFAOYSA-N	1	1	356.470	2.354	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1	ZINC000299349431	553551478	/nfs/dbraw/zinc/55/14/78/553551478.db2.gz	OSOJRFDLMZIGRF-UHFFFAOYSA-N	1	1	365.521	2.381	20	30		FEEDMO
C#CCN1CCC(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)CC1	ZINC000299349431	553551479	/nfs/dbraw/zinc/55/14/79/553551479.db2.gz	OSOJRFDLMZIGRF-UHFFFAOYSA-N	1	1	365.521	2.381	20	30		FEEDMO
C#CCN1CCC(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1	ZINC000299349431	553551480	/nfs/dbraw/zinc/55/14/80/553551480.db2.gz	OSOJRFDLMZIGRF-UHFFFAOYSA-N	1	1	365.521	2.381	20	30		FEEDMO
N#Cc1cccc(NC(=O)C2CC[NH+](CC(=O)NC3CCCC3)CC2)c1	ZINC000299640504	553594076	/nfs/dbraw/zinc/59/40/76/553594076.db2.gz	NDJSWAIZBLOSGY-UHFFFAOYSA-N	1	1	354.454	2.268	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C	ZINC000504533315	561659469	/nfs/dbraw/zinc/65/94/69/561659469.db2.gz	NLWUFGVGAMVIPW-KRWDZBQOSA-N	1	1	371.481	2.184	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@@H]1C	ZINC000504533315	561659470	/nfs/dbraw/zinc/65/94/70/561659470.db2.gz	NLWUFGVGAMVIPW-KRWDZBQOSA-N	1	1	371.481	2.184	20	30		FEEDMO
N#Cc1ccc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1C(F)(F)F	ZINC000301906883	553691030	/nfs/dbraw/zinc/69/10/30/553691030.db2.gz	AIPDWQDZULQAIK-MRXNPFEDSA-N	1	1	366.387	2.496	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1	ZINC000311941169	553755523	/nfs/dbraw/zinc/75/55/23/553755523.db2.gz	HXESVNMWCPVQAC-VQTJNVASSA-N	1	1	354.498	2.202	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1	ZINC000311941169	553755526	/nfs/dbraw/zinc/75/55/26/553755526.db2.gz	HXESVNMWCPVQAC-VQTJNVASSA-N	1	1	354.498	2.202	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1	ZINC000328255224	553793292	/nfs/dbraw/zinc/79/32/92/553793292.db2.gz	CDPZBGQIKPDYCD-OTWHNJEPSA-N	1	1	362.495	2.347	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1	ZINC000328255224	553793294	/nfs/dbraw/zinc/79/32/94/553793294.db2.gz	CDPZBGQIKPDYCD-OTWHNJEPSA-N	1	1	362.495	2.347	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1	ZINC000328354256	553794278	/nfs/dbraw/zinc/79/42/78/553794278.db2.gz	SVDYKDUNDSBDGJ-OTWHNJEPSA-N	1	1	362.495	2.347	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1	ZINC000328354256	553794282	/nfs/dbraw/zinc/79/42/82/553794282.db2.gz	SVDYKDUNDSBDGJ-OTWHNJEPSA-N	1	1	362.495	2.347	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cn4c(n3)CCCC4)CC2)cc1	ZINC000328649493	553802412	/nfs/dbraw/zinc/80/24/12/553802412.db2.gz	ASUPTPYAZXNFGV-UHFFFAOYSA-N	1	1	363.465	2.439	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cn4c(n3)CCCC4)CC2)cc1	ZINC000328649493	553802414	/nfs/dbraw/zinc/80/24/14/553802414.db2.gz	ASUPTPYAZXNFGV-UHFFFAOYSA-N	1	1	363.465	2.439	20	30		FEEDMO
CS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1	ZINC000328714647	553811040	/nfs/dbraw/zinc/81/10/40/553811040.db2.gz	ODAFBSVORJLDMC-DLBZAZTESA-N	1	1	371.547	2.064	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCC23CCOCC3)C1	ZINC000328784141	553821850	/nfs/dbraw/zinc/82/18/50/553821850.db2.gz	KEWHQJWYIHYWJM-IAGOWNOFSA-N	1	1	353.507	2.196	20	30		FEEDMO
C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000328802654	553824810	/nfs/dbraw/zinc/82/48/10/553824810.db2.gz	CGWJEAIRCQVVTC-VNQPRFMTSA-N	1	1	364.490	2.227	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)C1	ZINC000328810464	553825475	/nfs/dbraw/zinc/82/54/75/553825475.db2.gz	DVSACURWYOWEPS-DOTOQJQBSA-N	1	1	367.877	2.428	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@H](O)CC1)NC1CCN(C(=O)C2CCCCC2)CC1	ZINC000328811528	553826147	/nfs/dbraw/zinc/82/61/47/553826147.db2.gz	MTRITDQBZVZEGP-SFHVURJKSA-N	1	1	365.518	2.361	20	30		FEEDMO
C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000328954681	553852953	/nfs/dbraw/zinc/85/29/53/553852953.db2.gz	IOAYALHSYDSQRK-ZWOKBUDYSA-N	1	1	368.437	2.360	20	30		FEEDMO
CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1	ZINC000329136600	553887101	/nfs/dbraw/zinc/88/71/01/553887101.db2.gz	CVUQFGRAPDFTFB-LSDHHAIUSA-N	1	1	357.520	2.022	20	30		FEEDMO
CN1CC[C@@H]([NH+]2CCC(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)CC2)C1=O	ZINC000329171612	553895240	/nfs/dbraw/zinc/89/52/40/553895240.db2.gz	KPJAVBHPFIFBLY-KJFZJZGVSA-N	1	1	361.486	2.033	20	30		FEEDMO
CC1(C)CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1	ZINC000329191967	553899343	/nfs/dbraw/zinc/89/93/43/553899343.db2.gz	RTABCJPLPHZRAE-JKSUJKDBSA-N	1	1	351.491	2.235	20	30		FEEDMO
CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1CN1C(=O)CCC1=O	ZINC000329250083	553910944	/nfs/dbraw/zinc/91/09/44/553910944.db2.gz	AXNUWQRSDQBHDE-KRWDZBQOSA-N	1	1	372.469	2.153	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1	ZINC000329256232	553912149	/nfs/dbraw/zinc/91/21/49/553912149.db2.gz	XLYKVBNQHJUAKX-RYUDHWBXSA-N	1	1	362.405	2.049	20	30		FEEDMO
CC(=O)NC[C@@H]1CCn2ncc(C(=O)NCC[N@@H+]3CC=C(C)CC3)c2C1	ZINC000329259545	553912785	/nfs/dbraw/zinc/91/27/85/553912785.db2.gz	ARAJHGNCYAOKES-MRXNPFEDSA-N	1	1	359.474	2.379	20	30		FEEDMO
Cn1nccc1C1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1	ZINC000329268324	553914077	/nfs/dbraw/zinc/91/40/77/553914077.db2.gz	DRLJXGGGWKOQBD-INIZCTEOSA-N	1	1	370.453	2.396	20	30		FEEDMO
CC(C)c1nnc2n1C[C@@H]([NH+]=C([O-])N(C)C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2	ZINC000329319485	553924619	/nfs/dbraw/zinc/92/46/19/553924619.db2.gz	DRKPMPANXDGMNX-LSVZVQIISA-N	1	1	360.506	2.187	20	30		FEEDMO
CC(C)c1nnc2n1C[C@@H](NC(=O)N(C)C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CC2	ZINC000329319485	553924620	/nfs/dbraw/zinc/92/46/20/553924620.db2.gz	DRKPMPANXDGMNX-LSVZVQIISA-N	1	1	360.506	2.187	20	30		FEEDMO
CC(C)c1nnc2n1C[C@@H](NC(=O)N(C)C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2	ZINC000329319485	553924623	/nfs/dbraw/zinc/92/46/23/553924623.db2.gz	DRKPMPANXDGMNX-LSVZVQIISA-N	1	1	360.506	2.187	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)CCC(=O)N1C	ZINC000329324620	553925159	/nfs/dbraw/zinc/92/51/59/553925159.db2.gz	VQYXCLRRRFMAOA-SPYBWZPUSA-N	1	1	361.490	2.303	20	30		FEEDMO
C[C@H](C(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1)[NH+]1CCSCC1	ZINC000329398427	553939119	/nfs/dbraw/zinc/93/91/19/553939119.db2.gz	VGBUUUHMSYPKGI-HUUCEWRRSA-N	1	1	354.520	2.060	20	30		FEEDMO
CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	ZINC000329402242	553939646	/nfs/dbraw/zinc/93/96/46/553939646.db2.gz	ZGOHOOINZLCCJS-LLVKDONJSA-N	1	1	361.412	2.207	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F	ZINC000329402242	553939651	/nfs/dbraw/zinc/93/96/51/553939651.db2.gz	ZGOHOOINZLCCJS-LLVKDONJSA-N	1	1	361.412	2.207	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)N1CCOCC2(CCC2)C1)[NH+]1CCOCC1	ZINC000329438934	553947082	/nfs/dbraw/zinc/94/70/82/553947082.db2.gz	ASQHTPPZHCYXFN-KRWDZBQOSA-N	1	1	353.507	2.150	20	30		FEEDMO
C[C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1	ZINC000329437182	553947209	/nfs/dbraw/zinc/94/72/09/553947209.db2.gz	JKMITDYMYXZBIY-IKGGRYGDSA-N	1	1	351.491	2.235	20	30		FEEDMO
CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C1	ZINC000329471904	553953160	/nfs/dbraw/zinc/95/31/60/553953160.db2.gz	ZWIWSSLIOOPZNI-FGTMMUONSA-N	1	1	364.534	2.211	20	30		FEEDMO
C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCS1	ZINC000329474959	553953738	/nfs/dbraw/zinc/95/37/38/553953738.db2.gz	NOOPHRYPPLHQQY-IJEWVQPXSA-N	1	1	351.520	2.154	20	30		FEEDMO
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000329494490	553957987	/nfs/dbraw/zinc/95/79/87/553957987.db2.gz	WULZCQXAAYBUAA-NDVFFRQXSA-N	1	1	365.518	2.143	20	30		FEEDMO
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000329494490	553957990	/nfs/dbraw/zinc/95/79/90/553957990.db2.gz	WULZCQXAAYBUAA-NDVFFRQXSA-N	1	1	365.518	2.143	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C[N@H+]1C1CC1	ZINC000329529358	553962816	/nfs/dbraw/zinc/96/28/16/553962816.db2.gz	TWGZXEUGMPZPMO-ALQDCCJHSA-N	1	1	357.454	2.167	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)[C@]12CCCO2	ZINC000329538553	553964023	/nfs/dbraw/zinc/96/40/23/553964023.db2.gz	VOXSTBNNMPCUDA-SQGPQFPESA-N	1	1	374.485	2.153	20	30		FEEDMO
Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)c(=O)n(C)c1	ZINC000329552201	553966238	/nfs/dbraw/zinc/96/62/38/553966238.db2.gz	JRWDYNOQWBYRHQ-SFHVURJKSA-N	1	1	355.438	2.480	20	30		FEEDMO
Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)C2)nn1	ZINC000329578023	553970582	/nfs/dbraw/zinc/97/05/82/553970582.db2.gz	KLWAXJQBRSPIBC-ROUUACIJSA-N	1	1	374.533	2.378	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@H]2CO)sc2c1CCC2	ZINC000329621795	553978381	/nfs/dbraw/zinc/97/83/81/553978381.db2.gz	FQNRYUAXSLTMAF-LLVKDONJSA-N	1	1	351.497	2.496	20	30		FEEDMO
C[C@@H]1[C@H](C)[S@@](=O)CCN1C([O-])=[NH+][C@H]1CCc2nc(C(C)(C)C)cn2C1	ZINC000329653697	553982740	/nfs/dbraw/zinc/98/27/40/553982740.db2.gz	DXCHLMGYAVXPDE-JTODRPMFSA-N	1	1	366.531	2.251	20	30		FEEDMO
O=C(C[NH+]1CCC(c2n[nH]c(=O)[n-]2)CC1)N[C@@H]1CCOc2ccccc21	ZINC000329661918	553984465	/nfs/dbraw/zinc/98/44/65/553984465.db2.gz	PEYQVPUQKKAPRT-CQSZACIVSA-N	1	1	357.414	2.170	20	30		FEEDMO
CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1	ZINC000329697577	553991029	/nfs/dbraw/zinc/99/10/29/553991029.db2.gz	CIHMKEMUSZCFGX-LSDHHAIUSA-N	1	1	369.531	2.288	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC[N@H+]1C	ZINC000329706279	553992652	/nfs/dbraw/zinc/99/26/52/553992652.db2.gz	JWIWLRCHEJANSB-CJNGLKHVSA-N	1	1	365.499	2.162	20	30		FEEDMO
CC[C@@H]1CN(C(=O)[C@H](NC(C)=O)C2CCCC2)C[C@@H]1[NH+]1CCOCC1	ZINC000329750535	553999731	/nfs/dbraw/zinc/99/97/31/553999731.db2.gz	VBEIKUVPESBXFD-BPQIPLTHSA-N	1	1	351.491	2.091	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)NCc1ccc(C)cc1	ZINC000329771752	554003063	/nfs/dbraw/zinc/00/30/63/554003063.db2.gz	KBWBTQNHMXBHIU-MSOLQXFVSA-N	1	1	358.486	2.084	20	30		FEEDMO
CN1C(=O)CO[C@H](C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)[C@@H]1c1ccccc1	ZINC000329788953	554006502	/nfs/dbraw/zinc/00/65/02/554006502.db2.gz	SCORRYOLGYGESN-JVPBZIDWSA-N	1	1	357.454	2.026	20	30		FEEDMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CCCCC23CCCC3)CC1	ZINC000329799272	554008027	/nfs/dbraw/zinc/00/80/27/554008027.db2.gz	IDCUXFJZHRGUPR-QGZVFWFLSA-N	1	1	364.534	2.499	20	30		FEEDMO
CC(C)[N@H+]1CCCN(C(=O)NC2CCN(c3nccs3)CC2)CC1	ZINC000329816811	554011695	/nfs/dbraw/zinc/01/16/95/554011695.db2.gz	WGLVKRBWOZQTPZ-UHFFFAOYSA-N	1	1	351.520	2.442	20	30		FEEDMO
Cc1nc(CCNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cs1	ZINC000329833276	554014969	/nfs/dbraw/zinc/01/49/69/554014969.db2.gz	UENMVGKGPITCAW-MRXNPFEDSA-N	1	1	352.504	2.095	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCN(CC(C)(C)O)CC2)C1	ZINC000329892507	554025636	/nfs/dbraw/zinc/02/56/36/554025636.db2.gz	AASGGCWAKRABOL-IEBWSBKVSA-N	1	1	374.529	2.124	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN(CC(C)(C)O)CC2)C1	ZINC000329892507	554025640	/nfs/dbraw/zinc/02/56/40/554025640.db2.gz	AASGGCWAKRABOL-IEBWSBKVSA-N	1	1	374.529	2.124	20	30		FEEDMO
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1=O	ZINC000329894537	554026436	/nfs/dbraw/zinc/02/64/36/554026436.db2.gz	BLFFSIMZLOCXOH-OWYHZJEWSA-N	1	1	370.497	2.021	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](C(C)C)CC2)C12CCOCC2	ZINC000329915940	554031255	/nfs/dbraw/zinc/03/12/55/554031255.db2.gz	DKUGEVNMJYJLGS-DLBZAZTESA-N	1	1	353.507	2.291	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@H](c2nnc(C(C)C)o2)C1	ZINC000329923098	554032503	/nfs/dbraw/zinc/03/25/03/554032503.db2.gz	GUNKZXZCAZQDMX-CABCVRRESA-N	1	1	365.478	2.355	20	30		FEEDMO
C[C@@H]1COCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1	ZINC000329932398	554034303	/nfs/dbraw/zinc/03/43/03/554034303.db2.gz	ISDVMCSBUITZTR-QPSCCSFWSA-N	1	1	365.453	2.089	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C(=O)N1c1ccccc1	ZINC000329970317	554041754	/nfs/dbraw/zinc/04/17/54/554041754.db2.gz	XBGLYDBACVMROX-INMHGKMJSA-N	1	1	367.453	2.143	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1COc2ccccc2O1	ZINC000329970424	554041834	/nfs/dbraw/zinc/04/18/34/554041834.db2.gz	UXMQCAGMNJJOJE-AWEZNQCLSA-N	1	1	367.409	2.367	20	30		FEEDMO
CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)CCO2)o1	ZINC000329987888	554044584	/nfs/dbraw/zinc/04/45/84/554044584.db2.gz	TUAUGDNIELJPHC-ZFWWWQNUSA-N	1	1	363.462	2.131	20	30		FEEDMO
Cc1cccc(CC2(O)CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)c1	ZINC000329991162	554045733	/nfs/dbraw/zinc/04/57/33/554045733.db2.gz	JQFYYGJNFOXHBG-GOSISDBHSA-N	1	1	368.481	2.490	20	30		FEEDMO
CC1(C)C(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1(C)C	ZINC000330026174	554051339	/nfs/dbraw/zinc/05/13/39/554051339.db2.gz	BJKKQJIHXZFGSM-HNNXBMFYSA-N	1	1	365.518	2.338	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C[N@H+]1C1CC1	ZINC000330086364	554062320	/nfs/dbraw/zinc/06/23/20/554062320.db2.gz	MECRKHOSLVRQCZ-ZBFHGGJFSA-N	1	1	372.517	2.333	20	30		FEEDMO
Cc1nnc2n1C[C@H](CNC(=O)NC1CC[NH+](C3CCCC3)CC1)CC2	ZINC000330134643	554071216	/nfs/dbraw/zinc/07/12/16/554071216.db2.gz	SBLIDLUXHGUSBP-HNNXBMFYSA-N	1	1	360.506	2.060	20	30		FEEDMO
Cc1nnc2n1C[C@H](C[NH+]=C([O-])NC1CC[NH+](C3CCCC3)CC1)CC2	ZINC000330134643	554071218	/nfs/dbraw/zinc/07/12/18/554071218.db2.gz	SBLIDLUXHGUSBP-HNNXBMFYSA-N	1	1	360.506	2.060	20	30		FEEDMO
CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCSC3)CC2)cn1	ZINC000330138749	554071841	/nfs/dbraw/zinc/07/18/41/554071841.db2.gz	VTBKVEGFVKKVOU-MRXNPFEDSA-N	1	1	351.520	2.220	20	30		FEEDMO
CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCSC3)CC2)cn1	ZINC000330138749	554071842	/nfs/dbraw/zinc/07/18/42/554071842.db2.gz	VTBKVEGFVKKVOU-MRXNPFEDSA-N	1	1	351.520	2.220	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1	ZINC000330146947	554073707	/nfs/dbraw/zinc/07/37/07/554073707.db2.gz	TUPORCMLFGFGOO-QWHCGFSZSA-N	1	1	357.414	2.432	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](c2nnc[nH]2)C1	ZINC000330146947	554073708	/nfs/dbraw/zinc/07/37/08/554073708.db2.gz	TUPORCMLFGFGOO-QWHCGFSZSA-N	1	1	357.414	2.432	20	30		FEEDMO
Cc1nc(N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1C#N	ZINC000330180920	554079488	/nfs/dbraw/zinc/07/94/88/554079488.db2.gz	NQZISXUXZZUYAT-HZPDHXFCSA-N	1	1	358.486	2.356	20	30		FEEDMO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cn1	ZINC000330194058	554082494	/nfs/dbraw/zinc/08/24/94/554082494.db2.gz	YYOBXAQKPONXFL-CBZIJGRNSA-N	1	1	374.489	2.193	20	30		FEEDMO
COc1cccc([C@H](C)[NH+]2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1	ZINC000507716160	561738803	/nfs/dbraw/zinc/73/88/03/561738803.db2.gz	HALLHUOKBHXNEC-LAUBAEHRSA-N	1	1	372.513	2.428	20	30		FEEDMO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)C[N@@H+](C)[C@H]1CCSC1	ZINC000330275101	554097694	/nfs/dbraw/zinc/09/76/94/554097694.db2.gz	LAZGHKSQPXXHRV-ZQIUZPCESA-N	1	1	352.504	2.261	20	30		FEEDMO
CC1CCN(C(=O)C2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)CC1	ZINC000330284090	554098991	/nfs/dbraw/zinc/09/89/91/554098991.db2.gz	XANNWFGQVFOJDS-KRWDZBQOSA-N	1	1	373.501	2.082	20	30		FEEDMO
CCN1C(=O)CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC)[C@H]1c1cnn(C)c1	ZINC000330310938	554103414	/nfs/dbraw/zinc/10/34/14/554103414.db2.gz	VJVIUSIIRXKIRE-JFIYKMOQSA-N	1	1	361.490	2.161	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000330377004	554113375	/nfs/dbraw/zinc/11/33/75/554113375.db2.gz	PSONXLKSLYXZFS-GFCCVEGCSA-N	1	1	361.389	2.340	20	30		FEEDMO
CNC(=O)c1cccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1	ZINC000330381498	554113746	/nfs/dbraw/zinc/11/37/46/554113746.db2.gz	NOASLDGFZMFAOA-UHFFFAOYSA-N	1	1	365.499	2.011	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)C1	ZINC000330505016	554130601	/nfs/dbraw/zinc/13/06/01/554130601.db2.gz	JQHJAVLVJMOGBR-OAHLLOKOSA-N	1	1	353.488	2.162	20	30		FEEDMO
COc1cc(SC)ccc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C	ZINC000330569554	554139789	/nfs/dbraw/zinc/13/97/89/554139789.db2.gz	NZHMRGOBJHETSI-CHWSQXEVSA-N	1	1	353.488	2.350	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1C(F)F	ZINC000330599157	554143643	/nfs/dbraw/zinc/14/36/43/554143643.db2.gz	ZZCCOQOEGLJQHO-CHWSQXEVSA-N	1	1	373.448	2.409	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1C(F)F	ZINC000330599157	554143645	/nfs/dbraw/zinc/14/36/45/554143645.db2.gz	ZZCCOQOEGLJQHO-CHWSQXEVSA-N	1	1	373.448	2.409	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cc(OC)ccc2OC)CC[N@H+]1C[C@H](C)O	ZINC000330652931	554150868	/nfs/dbraw/zinc/15/08/68/554150868.db2.gz	NPOWOXCKLDOJSO-KBPBESRZSA-N	1	1	351.447	2.026	20	30		FEEDMO
Cc1nc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c(Br)s1	ZINC000330664533	554153304	/nfs/dbraw/zinc/15/33/04/554153304.db2.gz	QUZDQEPQNWMVAO-VIFPVBQESA-N	1	1	362.293	2.487	20	30		FEEDMO
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C	ZINC000330883360	554182778	/nfs/dbraw/zinc/18/27/78/554182778.db2.gz	JTPUPJCJALZPRT-ZIAGYGMSSA-N	1	1	362.474	2.357	20	30		FEEDMO
CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C1	ZINC000330941192	554192017	/nfs/dbraw/zinc/19/20/17/554192017.db2.gz	FJSMTVLGWKLTBR-VXGBXAGGSA-N	1	1	370.856	2.034	20	30		FEEDMO
CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)C1	ZINC000330941192	554192019	/nfs/dbraw/zinc/19/20/19/554192019.db2.gz	FJSMTVLGWKLTBR-VXGBXAGGSA-N	1	1	370.856	2.034	20	30		FEEDMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2cc(Cl)ccc2F)CC1	ZINC000331021308	554201979	/nfs/dbraw/zinc/20/19/79/554201979.db2.gz	PLBCXGONYOKMKW-UHFFFAOYSA-N	1	1	356.829	2.121	20	30		FEEDMO
Cc1nc(CC(C)C)oc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000331048158	554206243	/nfs/dbraw/zinc/20/62/43/554206243.db2.gz	GUTFZLVTOSTWOF-UHFFFAOYSA-N	1	1	350.463	2.039	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1cc(F)c(OC(F)F)cc1F	ZINC000331151821	554222518	/nfs/dbraw/zinc/22/25/18/554222518.db2.gz	IJVTVVCOUACKFL-VIFPVBQESA-N	1	1	364.343	2.138	20	30		FEEDMO
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](CCOC(C)C)CC1	ZINC000508788245	561772830	/nfs/dbraw/zinc/77/28/30/561772830.db2.gz	BTPNAMGWYVIWMS-DLBZAZTESA-N	1	1	363.506	2.109	20	30		FEEDMO
CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc(C#N)c2Br)[N@@H+](C)C1	ZINC000331336501	554248336	/nfs/dbraw/zinc/24/83/36/554248336.db2.gz	QMULMBMVCMYVBE-STQMWFEESA-N	1	1	366.259	2.112	20	30		FEEDMO
C=CCn1c(CCC2CCCCC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1	ZINC000508947401	561779054	/nfs/dbraw/zinc/77/90/54/561779054.db2.gz	XGENEAABZZKEOO-GOSISDBHSA-N	1	1	359.518	2.498	20	30		FEEDMO
C=CCn1c(CCC2CCCCC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1	ZINC000508947401	561779055	/nfs/dbraw/zinc/77/90/55/561779055.db2.gz	XGENEAABZZKEOO-GOSISDBHSA-N	1	1	359.518	2.498	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3C)C2)n1	ZINC000331582398	554289024	/nfs/dbraw/zinc/28/90/24/554289024.db2.gz	JFMZRHKKIAQTFV-SNRMKQJTSA-N	1	1	369.513	2.323	20	30		FEEDMO
CC(C)C1CCC([NH+]2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)CC1	ZINC000509166805	561787855	/nfs/dbraw/zinc/78/78/55/561787855.db2.gz	XHFVHZDIYLFSST-WWDZGPRUSA-N	1	1	370.563	2.298	20	30		FEEDMO
N#CCc1ccc(C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)cc1	ZINC000331956559	554352223	/nfs/dbraw/zinc/35/22/23/554352223.db2.gz	IXXAAILVLUMADY-UHFFFAOYSA-N	1	1	354.498	2.319	20	30		FEEDMO
CC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000331962848	554353646	/nfs/dbraw/zinc/35/36/46/554353646.db2.gz	PVUDNILDHOMCGL-CQSZACIVSA-N	1	1	374.510	2.428	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000332401203	554439328	/nfs/dbraw/zinc/43/93/28/554439328.db2.gz	SSEXZDQXDKCXIP-LSDHHAIUSA-N	1	1	358.461	2.465	20	30		FEEDMO
CCOC(=O)C(C)(C)C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000510127135	561825954	/nfs/dbraw/zinc/82/59/54/561825954.db2.gz	JWQUANLMPDFWSA-QGZVFWFLSA-N	1	1	357.454	2.386	20	30		FEEDMO
Cc1cc(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c(C#N)cc1N(C)C	ZINC000332648953	554490608	/nfs/dbraw/zinc/49/06/08/554490608.db2.gz	XZSPKCHYDZCTMM-MRXNPFEDSA-N	1	1	372.517	2.080	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000333044653	554563723	/nfs/dbraw/zinc/56/37/23/554563723.db2.gz	PGANEGISNDOYKB-WBVHZDCISA-N	1	1	358.511	2.389	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000333056406	554565698	/nfs/dbraw/zinc/56/56/98/554565698.db2.gz	CMTZQBABXFQSRQ-JFRXWTBNSA-N	1	1	365.518	2.251	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)CC2)o1	ZINC000333759000	554640099	/nfs/dbraw/zinc/64/00/99/554640099.db2.gz	OTORTAQKLAINFF-INIZCTEOSA-N	1	1	359.474	2.012	20	30		FEEDMO
C[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000611519446	554640915	/nfs/dbraw/zinc/64/09/15/554640915.db2.gz	LFXOTJBBDNJPER-ZBFHGGJFSA-N	1	1	352.442	2.324	20	30		FEEDMO
C[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000611519446	554640916	/nfs/dbraw/zinc/64/09/16/554640916.db2.gz	LFXOTJBBDNJPER-ZBFHGGJFSA-N	1	1	352.442	2.324	20	30		FEEDMO
C[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000611519443	554641158	/nfs/dbraw/zinc/64/11/58/554641158.db2.gz	LFXOTJBBDNJPER-GDBMZVCRSA-N	1	1	352.442	2.324	20	30		FEEDMO
C[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000611519443	554641159	/nfs/dbraw/zinc/64/11/59/554641159.db2.gz	LFXOTJBBDNJPER-GDBMZVCRSA-N	1	1	352.442	2.324	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N(C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1=O	ZINC000348513878	554687610	/nfs/dbraw/zinc/68/76/10/554687610.db2.gz	ONAOBSNRQIBHCF-GOEBONIOSA-N	1	1	363.483	2.083	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N(C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000348979457	554706946	/nfs/dbraw/zinc/70/69/46/554706946.db2.gz	WVCLFNZZSGOPRK-RTBURBONSA-N	1	1	371.481	2.412	20	30		FEEDMO
C=CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@@H]1CCOC1	ZINC000359912232	554856509	/nfs/dbraw/zinc/85/65/09/554856509.db2.gz	YTURMLCUVVQKFN-MOPGFXCFSA-N	1	1	364.511	2.115	20	30		FEEDMO
C=CCOCCCC(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1	ZINC000360489690	554877048	/nfs/dbraw/zinc/87/70/48/554877048.db2.gz	QBYLUOLXPQYRLZ-UHFFFAOYSA-N	1	1	359.470	2.386	20	30		FEEDMO
CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000360617763	554882097	/nfs/dbraw/zinc/88/20/97/554882097.db2.gz	IJKRUCCUTXEQFS-HXUWFJFHSA-N	1	1	366.509	2.482	20	30		FEEDMO
CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000360617763	554882098	/nfs/dbraw/zinc/88/20/98/554882098.db2.gz	IJKRUCCUTXEQFS-HXUWFJFHSA-N	1	1	366.509	2.482	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[NH+]2CCC(n3cc(Cl)cn3)CC2)c1	ZINC000360642156	554883202	/nfs/dbraw/zinc/88/32/02/554883202.db2.gz	NCIROSGTZFGOMZ-UHFFFAOYSA-N	1	1	357.845	2.361	20	30		FEEDMO
N#CCCN(C(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)c1ccccc1	ZINC000360925871	554895222	/nfs/dbraw/zinc/89/52/22/554895222.db2.gz	HQHKOEAWDBZGNQ-HOJAQTOUSA-N	1	1	352.482	2.349	20	30		FEEDMO
COc1ccc2c(c1)[C@H](C)C[N@H+](CC(=O)N(CCC#N)CCC#N)CC2	ZINC000361190225	554909265	/nfs/dbraw/zinc/90/92/65/554909265.db2.gz	KLZMUFKNJASNAW-MRXNPFEDSA-N	1	1	354.454	2.313	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1	ZINC000362231948	554957257	/nfs/dbraw/zinc/95/72/57/554957257.db2.gz	AINDXWITWDKIPK-HNNXBMFYSA-N	1	1	368.437	2.282	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1	ZINC000362231948	554957259	/nfs/dbraw/zinc/95/72/59/554957259.db2.gz	AINDXWITWDKIPK-HNNXBMFYSA-N	1	1	368.437	2.282	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OCC#N	ZINC000363007284	555009046	/nfs/dbraw/zinc/00/90/46/555009046.db2.gz	FXJOKFLKEZHBPP-PRPGUUAMSA-N	1	1	355.438	2.354	20	30		FEEDMO
N#Cc1ccccc1N1CCC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1	ZINC000363187257	555048967	/nfs/dbraw/zinc/04/89/67/555048967.db2.gz	JKYRNLGCDCGTKM-FHWLQOOXSA-N	1	1	367.497	2.453	20	30		FEEDMO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1	ZINC000363944163	555218999	/nfs/dbraw/zinc/21/89/99/555218999.db2.gz	KPLVQEZAAQAZPC-SJORKVTESA-N	1	1	370.453	2.051	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCOC4(CCOCC4)CC3)C2=O)cc1	ZINC000364247269	555277852	/nfs/dbraw/zinc/27/78/52/555277852.db2.gz	XTMFGLDMIBLBQT-LJQANCHMSA-N	1	1	369.465	2.325	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCOC4(CCOCC4)CC3)C2=O)cc1	ZINC000364247269	555277853	/nfs/dbraw/zinc/27/78/53/555277853.db2.gz	XTMFGLDMIBLBQT-LJQANCHMSA-N	1	1	369.465	2.325	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)N(C)c2ccccc2)CC1	ZINC000364514775	555327561	/nfs/dbraw/zinc/32/75/61/555327561.db2.gz	VOJBIZLVORANHR-OAQYLSRUSA-N	1	1	370.497	2.416	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000364570693	555341563	/nfs/dbraw/zinc/34/15/63/555341563.db2.gz	QTFFZHJCKXCEIZ-HKUYNNGSSA-N	1	1	370.478	2.233	20	30		FEEDMO
C[C@H]1C[N@@H+](C2CCN(CCC(=O)Nc3sccc3C#N)CC2)CCO1	ZINC000364729575	555387052	/nfs/dbraw/zinc/38/70/52/555387052.db2.gz	IODHJOPKCYSWAA-AWEZNQCLSA-N	1	1	362.499	2.133	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCN(CCC(=O)Nc3sccc3C#N)CC2)CCO1	ZINC000364729575	555387053	/nfs/dbraw/zinc/38/70/53/555387053.db2.gz	IODHJOPKCYSWAA-AWEZNQCLSA-N	1	1	362.499	2.133	20	30		FEEDMO
CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cc(C#N)ccc1C	ZINC000364798579	555405782	/nfs/dbraw/zinc/40/57/82/555405782.db2.gz	LQBSKZHSITVEFD-MRXNPFEDSA-N	1	1	365.437	2.255	20	30		FEEDMO
Cc1c(C#N)cccc1C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000512708087	561913156	/nfs/dbraw/zinc/91/31/56/561913156.db2.gz	NBXFFTFJUCEMEQ-UHFFFAOYSA-N	1	1	354.498	2.497	20	30		FEEDMO
COc1ccc(CN2CCC[N@H+]([C@@H](C)CO)CC2)cc1OCCCC#N	ZINC000364924477	555438919	/nfs/dbraw/zinc/43/89/19/555438919.db2.gz	UTEWPOCNBZLVAV-KRWDZBQOSA-N	1	1	361.486	2.266	20	30		FEEDMO
Cc1csc(N2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)CC2)n1	ZINC000365083185	555481153	/nfs/dbraw/zinc/48/11/53/555481153.db2.gz	LKJJHXXIJUBDOK-UHFFFAOYSA-N	1	1	369.494	2.152	20	30		FEEDMO
Cc1csc(N2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)CC2)n1	ZINC000365083185	555481154	/nfs/dbraw/zinc/48/11/54/555481154.db2.gz	LKJJHXXIJUBDOK-UHFFFAOYSA-N	1	1	369.494	2.152	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+](CC2CCC3(CC2)OCCO3)CC1	ZINC000365177160	555502350	/nfs/dbraw/zinc/50/23/50/555502350.db2.gz	KEMYMYSLOCHXDK-UHFFFAOYSA-N	1	1	356.470	2.399	20	30		FEEDMO
COc1ccc(CC(=O)N2CCC[N@H+](Cc3cc(C#N)n(C)c3)CC2)cc1	ZINC000365233132	555518280	/nfs/dbraw/zinc/51/82/80/555518280.db2.gz	HEICPVSNMPJZFJ-UHFFFAOYSA-N	1	1	366.465	2.182	20	30		FEEDMO
COc1ccc(CC(=O)N2CCC[N@@H+](Cc3cc(C#N)n(C)c3)CC2)cc1	ZINC000365233132	555518284	/nfs/dbraw/zinc/51/82/84/555518284.db2.gz	HEICPVSNMPJZFJ-UHFFFAOYSA-N	1	1	366.465	2.182	20	30		FEEDMO
N#C[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CCN1C1CC1	ZINC000365491973	555589478	/nfs/dbraw/zinc/58/94/78/555589478.db2.gz	POMFKZGLTGHYFQ-AWEZNQCLSA-N	1	1	372.379	2.017	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1	ZINC000365746078	555658110	/nfs/dbraw/zinc/65/81/10/555658110.db2.gz	HVMLIRBOLWADCY-FGZHOGPDSA-N	1	1	365.521	2.312	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1	ZINC000365746078	555658113	/nfs/dbraw/zinc/65/81/13/555658113.db2.gz	HVMLIRBOLWADCY-FGZHOGPDSA-N	1	1	365.521	2.312	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3[C@H](C(N)=O)C[C@H]4CCCC[C@@H]43)C2=O)cc1	ZINC000366090811	555748430	/nfs/dbraw/zinc/74/84/30/555748430.db2.gz	ZBGMEGCSUNKIBD-BVBHFADKSA-N	1	1	366.465	2.172	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)n1	ZINC000366114756	555755876	/nfs/dbraw/zinc/75/58/76/555755876.db2.gz	DEFOXVXFXXHWQA-IBGZPJMESA-N	1	1	351.454	2.235	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)n1	ZINC000366114756	555755878	/nfs/dbraw/zinc/75/58/78/555755878.db2.gz	DEFOXVXFXXHWQA-IBGZPJMESA-N	1	1	351.454	2.235	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)C(C)C)C1	ZINC000513821412	561951432	/nfs/dbraw/zinc/95/14/32/561951432.db2.gz	IKWGGLVCENYCOL-RBUKOAKNSA-N	1	1	360.498	2.391	20	30		FEEDMO
C[C@@H](NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccccc1Cl	ZINC000366341102	555816209	/nfs/dbraw/zinc/81/62/09/555816209.db2.gz	RTTRKTBELXMCCP-CYBMUJFWSA-N	1	1	372.860	2.317	20	30		FEEDMO
NC(=O)c1cccnc1N1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1	ZINC000366543998	555872505	/nfs/dbraw/zinc/87/25/05/555872505.db2.gz	BNPOLWQPOTXIAJ-UHFFFAOYSA-N	1	1	368.868	2.398	20	30		FEEDMO
NC(=O)c1cccnc1N1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1	ZINC000366543998	555872507	/nfs/dbraw/zinc/87/25/07/555872507.db2.gz	BNPOLWQPOTXIAJ-UHFFFAOYSA-N	1	1	368.868	2.398	20	30		FEEDMO
C[C@@H]1C[C@@H](Nc2cc(S(N)(=O)=O)ccc2C#N)C[N@H+]1Cc1ccccc1	ZINC000367338683	556021947	/nfs/dbraw/zinc/02/19/47/556021947.db2.gz	CVHNIPSQJJSMAR-RHSMWYFYSA-N	1	1	370.478	2.281	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(c3cc(C#N)cc(C)n3)CC2)CC1	ZINC000367339336	556022227	/nfs/dbraw/zinc/02/22/27/556022227.db2.gz	LEMOWPQDFNFODM-UHFFFAOYSA-N	1	1	355.486	2.032	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@]2(C#N)CCc3ccccc3C2)C1	ZINC000367569720	556085486	/nfs/dbraw/zinc/08/54/86/556085486.db2.gz	KHOVIGZFQAGSLS-FPOVZHCZSA-N	1	1	355.482	2.158	20	30		FEEDMO
Cn1cc([C@H]2[C@H](CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)CCC[N@H+]2C)cn1	ZINC000367732387	556125651	/nfs/dbraw/zinc/12/56/51/556125651.db2.gz	ZIBJGIBSKYDJEE-YVEFUNNKSA-N	1	1	369.429	2.277	20	30		FEEDMO
C#CCCCS(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000367805960	556143804	/nfs/dbraw/zinc/14/38/04/556143804.db2.gz	FHHHCSACRAHJBF-RTBURBONSA-N	1	1	362.495	2.306	20	30		FEEDMO
C#CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000367805960	556143807	/nfs/dbraw/zinc/14/38/07/556143807.db2.gz	FHHHCSACRAHJBF-RTBURBONSA-N	1	1	362.495	2.306	20	30		FEEDMO
Cc1ccc2ncc(C#N)c(N3CC[NH+](C4(C(N)=O)CCCC4)CC3)c2c1	ZINC000368181555	556240710	/nfs/dbraw/zinc/24/07/10/556240710.db2.gz	VZIFXBBNRAIKQI-UHFFFAOYSA-N	1	1	363.465	2.335	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000368615650	556363480	/nfs/dbraw/zinc/36/34/80/556363480.db2.gz	AVWCYBVIDUAOSN-UXHICEINSA-N	1	1	368.525	2.089	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000368615650	556363484	/nfs/dbraw/zinc/36/34/84/556363484.db2.gz	AVWCYBVIDUAOSN-UXHICEINSA-N	1	1	368.525	2.089	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000368666137	556379328	/nfs/dbraw/zinc/37/93/28/556379328.db2.gz	CJTPZUPPDPTOOP-MISYRCLQSA-N	1	1	371.481	2.163	20	30		FEEDMO
C=CCN(C(=O)N[C@H](C)c1nncn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000368924140	556449727	/nfs/dbraw/zinc/44/97/27/556449727.db2.gz	HWWFTGKTLBSHQQ-AEFFLSMTSA-N	1	1	368.485	2.348	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1	ZINC000369523964	556619689	/nfs/dbraw/zinc/61/96/89/556619689.db2.gz	YBYZLEUHJQWRMW-QZTJIDSGSA-N	1	1	354.454	2.166	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCN(c2ncccn2)CC1	ZINC000370083168	556776262	/nfs/dbraw/zinc/77/62/62/556776262.db2.gz	NZLDMIJCEPSPLM-UHFFFAOYSA-N	1	1	364.453	2.278	20	30		FEEDMO
N#CCOc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1	ZINC000370539489	556903193	/nfs/dbraw/zinc/90/31/93/556903193.db2.gz	MKQDJJACOZBPKU-GSSTWSARSA-N	1	1	369.465	2.362	20	30		FEEDMO
C[C@H](C(=O)NCC1CCN(c2ccccc2C#N)CC1)[NH+]1CCSCC1	ZINC000371015079	557045492	/nfs/dbraw/zinc/04/54/92/557045492.db2.gz	GSYFYCKBKXZFGB-MRXNPFEDSA-N	1	1	372.538	2.328	20	30		FEEDMO
C=CCCOCCNC(=O)N(C)C1CC[NH+](Cc2cc(C)no2)CC1	ZINC000371199563	557105746	/nfs/dbraw/zinc/10/57/46/557105746.db2.gz	UQCRLXKCSVOJDY-UHFFFAOYSA-N	1	1	350.463	2.182	20	30		FEEDMO
N#Cc1cccc(F)c1CC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000517252208	562082852	/nfs/dbraw/zinc/08/28/52/562082852.db2.gz	MMECWUJSKYPKSB-SFHVURJKSA-N	1	1	367.424	2.123	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000371450474	557190199	/nfs/dbraw/zinc/19/01/99/557190199.db2.gz	LQBASGQBZPAVSF-TZMCWYRMSA-N	1	1	370.375	2.314	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000371450474	557190201	/nfs/dbraw/zinc/19/02/01/557190201.db2.gz	LQBASGQBZPAVSF-TZMCWYRMSA-N	1	1	370.375	2.314	20	30		FEEDMO
Cc1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)c(O[C@@H]2CCOC2)c1	ZINC000517937269	562101018	/nfs/dbraw/zinc/10/10/18/562101018.db2.gz	SHEQPHHTEAVEEK-GOSISDBHSA-N	1	1	363.421	2.367	20	30		FEEDMO
C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1	ZINC000371762714	557285998	/nfs/dbraw/zinc/28/59/98/557285998.db2.gz	NWNHIPYIVSNJMV-FXAWDEMLSA-N	1	1	366.465	2.245	20	30		FEEDMO
C=CCC(CC=C)C(=O)N1CCC2(C[C@@H]2C(=O)N2CC[NH+](C)CC2)CC1	ZINC000371800517	557297414	/nfs/dbraw/zinc/29/74/14/557297414.db2.gz	BSXBDKYADXRLAX-GOSISDBHSA-N	1	1	359.514	2.158	20	30		FEEDMO
COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)nn1	ZINC000371846509	557310433	/nfs/dbraw/zinc/31/04/33/557310433.db2.gz	OZKDBCSWXYCHLC-OAHLLOKOSA-N	1	1	353.426	2.313	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H](C)Cn3cc[nH+]c3C)cc2C1=O	ZINC000518871488	562120032	/nfs/dbraw/zinc/12/00/32/562120032.db2.gz	SLFRQXCBINRNHD-ZDUSSCGKSA-N	1	1	366.421	2.040	20	30		FEEDMO
C[C@H](C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000372218839	557412786	/nfs/dbraw/zinc/41/27/86/557412786.db2.gz	QPVWZFXHPWMGEK-VLXUNWKESA-N	1	1	366.465	2.120	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1	ZINC000372355003	557448668	/nfs/dbraw/zinc/44/86/68/557448668.db2.gz	FAGWPEOTWOWAKB-NRFANRHFSA-N	1	1	360.417	2.483	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCC(=O)Nc1sccc1C#N	ZINC000372360894	557449740	/nfs/dbraw/zinc/44/97/40/557449740.db2.gz	XQTAKGZBFYDTPI-BMFZPTHFSA-N	1	1	362.499	2.037	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(C)n(-c3cccc(C#N)c3)n2)C1	ZINC000372370976	557452610	/nfs/dbraw/zinc/45/26/10/557452610.db2.gz	VDFQLVOUFOCJIX-INIZCTEOSA-N	1	1	352.442	2.658	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000372804114	557565336	/nfs/dbraw/zinc/56/53/36/557565336.db2.gz	KWOKAARLDWKJCX-SZMVWBNQSA-N	1	1	357.454	2.085	20	30		FEEDMO
N#Cc1c(F)ccc(CN2CC[NH+]([C@H]3CCCCNC3=O)CC2)c1Cl	ZINC000372962060	557598239	/nfs/dbraw/zinc/59/82/39/557598239.db2.gz	AIDZNHOQXOJHIM-INIZCTEOSA-N	1	1	364.852	2.137	20	30		FEEDMO
CN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4O[C@@H](CC#N)C[C@H]43)cn2)CC1	ZINC000373223026	557653179	/nfs/dbraw/zinc/65/31/79/557653179.db2.gz	GBQIIJBCNZGLQZ-HAGHYFMRSA-N	1	1	369.513	2.163	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2noc(C(F)F)n2)CC1	ZINC000373360410	557678928	/nfs/dbraw/zinc/67/89/28/557678928.db2.gz	RDTURSPMEMMEPW-NSHDSACASA-N	1	1	355.389	2.195	20	30		FEEDMO
COc1ccc(NC(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1Cl	ZINC000373398957	557686799	/nfs/dbraw/zinc/68/67/99/557686799.db2.gz	JBQXMKRYTVJGLQ-UHFFFAOYSA-N	1	1	374.832	2.087	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)C2)CC1	ZINC000373511149	557708372	/nfs/dbraw/zinc/70/83/72/557708372.db2.gz	WRUZUTBQALLEAS-GOSISDBHSA-N	1	1	354.498	2.386	20	30		FEEDMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)C2)CC1	ZINC000373511149	557708375	/nfs/dbraw/zinc/70/83/75/557708375.db2.gz	WRUZUTBQALLEAS-GOSISDBHSA-N	1	1	354.498	2.386	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12	ZINC000373587062	557723778	/nfs/dbraw/zinc/72/37/78/557723778.db2.gz	VSDMTRFGVJKALQ-FQEVSTJZSA-N	1	1	352.438	2.164	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12	ZINC000373587062	557723781	/nfs/dbraw/zinc/72/37/81/557723781.db2.gz	VSDMTRFGVJKALQ-FQEVSTJZSA-N	1	1	352.438	2.164	20	30		FEEDMO
N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1	ZINC000373932653	557790381	/nfs/dbraw/zinc/79/03/81/557790381.db2.gz	IQIINQUCPJWVQQ-MOPGFXCFSA-N	1	1	367.497	2.407	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O	ZINC000374110058	557825221	/nfs/dbraw/zinc/82/52/21/557825221.db2.gz	URHXHSLMQTYVPU-HNAYVOBHSA-N	1	1	359.470	2.001	20	30		FEEDMO
Cn1cc([C@H]2[C@H](CNC(=O)NCC3CCC(C#N)CC3)CCC[N@H+]2C)cn1	ZINC000374143360	557831278	/nfs/dbraw/zinc/83/12/78/557831278.db2.gz	MCFKPNQRZKXBGI-BXNZUYAZSA-N	1	1	372.517	2.432	20	30		FEEDMO
CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000521186783	562171262	/nfs/dbraw/zinc/17/12/62/562171262.db2.gz	SSVCXOIQNDVBCJ-LPHOPBHVSA-N	1	1	370.497	2.191	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1	ZINC000374755989	557926126	/nfs/dbraw/zinc/92/61/26/557926126.db2.gz	VUAWWBNSBFTDFD-PMPSAXMXSA-N	1	1	358.442	2.352	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1	ZINC000374755989	557926127	/nfs/dbraw/zinc/92/61/27/557926127.db2.gz	VUAWWBNSBFTDFD-PMPSAXMXSA-N	1	1	358.442	2.352	20	30		FEEDMO
CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1	ZINC000374827943	557937086	/nfs/dbraw/zinc/93/70/86/557937086.db2.gz	ORMWYKJEKNPXTI-SJLPKXTDSA-N	1	1	353.426	2.153	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@H]21	ZINC000375021480	557965469	/nfs/dbraw/zinc/96/54/69/557965469.db2.gz	OUCBTEGHWWPHKJ-XJKSGUPXSA-N	1	1	358.511	2.463	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)NCc2c[nH+]c3n2CCCC3)cc1	ZINC000375360333	558015349	/nfs/dbraw/zinc/01/53/49/558015349.db2.gz	FGOCDLBCUUQPLY-UHFFFAOYSA-N	1	1	353.426	2.457	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1	ZINC000375459709	558030913	/nfs/dbraw/zinc/03/09/13/558030913.db2.gz	LMLANGCEKKXEGM-KBAYOESNSA-N	1	1	358.486	2.059	20	30		FEEDMO
N#Cc1ccc(N2CCC([NH2+][C@@H](c3ncc[nH]3)c3cccnc3)CC2)nc1	ZINC000375534399	558044728	/nfs/dbraw/zinc/04/47/28/558044728.db2.gz	UHACZNAKRXXRCF-LJQANCHMSA-N	1	1	359.437	2.419	20	30		FEEDMO
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[N@@H+]2CCOC[C@H]2C1	ZINC000375853858	558089226	/nfs/dbraw/zinc/08/92/26/558089226.db2.gz	ZXFRUYUQGWCJLZ-CYBMUJFWSA-N	1	1	360.364	2.229	20	30		FEEDMO
N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[N@H+]2CCOC[C@H]2C1	ZINC000375853858	558089227	/nfs/dbraw/zinc/08/92/27/558089227.db2.gz	ZXFRUYUQGWCJLZ-CYBMUJFWSA-N	1	1	360.364	2.229	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1	ZINC000376508842	558182939	/nfs/dbraw/zinc/18/29/39/558182939.db2.gz	XTOCTTPCTJZRKX-LBPRGKRZSA-N	1	1	373.379	2.464	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1	ZINC000376508842	558182940	/nfs/dbraw/zinc/18/29/40/558182940.db2.gz	XTOCTTPCTJZRKX-LBPRGKRZSA-N	1	1	373.379	2.464	20	30		FEEDMO
CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)cc1C#N	ZINC000376965243	558245524	/nfs/dbraw/zinc/24/55/24/558245524.db2.gz	SIWIEDMLSDYUMC-INIZCTEOSA-N	1	1	360.414	2.174	20	30		FEEDMO
CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)cc1C#N	ZINC000376965243	558245525	/nfs/dbraw/zinc/24/55/25/558245525.db2.gz	SIWIEDMLSDYUMC-INIZCTEOSA-N	1	1	360.414	2.174	20	30		FEEDMO
CC(C)(CCC#N)CNC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000377034519	558254079	/nfs/dbraw/zinc/25/40/79/558254079.db2.gz	PJYDDSYLXLXEED-QZTJIDSGSA-N	1	1	358.486	2.251	20	30		FEEDMO
CC[NH+]1CCN(C(=O)C2CCN(c3c(F)cc(C#N)cc3F)CC2)CC1	ZINC000377046889	558255648	/nfs/dbraw/zinc/25/56/48/558255648.db2.gz	NUSUNLJQFBCCNX-UHFFFAOYSA-N	1	1	362.424	2.217	20	30		FEEDMO
N#Cc1ccc(N2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c(Cl)c1	ZINC000377051448	558256169	/nfs/dbraw/zinc/25/61/69/558256169.db2.gz	IZPFPBSDDFLBNG-CALCHBBNSA-N	1	1	360.889	2.197	20	30		FEEDMO
N#Cc1ccc(N2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)c(Cl)c1	ZINC000377051448	558256170	/nfs/dbraw/zinc/25/61/70/558256170.db2.gz	IZPFPBSDDFLBNG-CALCHBBNSA-N	1	1	360.889	2.197	20	30		FEEDMO
C=CC[N@H+](CC(=O)N(C)CC1CC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000522220728	562194593	/nfs/dbraw/zinc/19/45/93/562194593.db2.gz	VOLMDMGMDUJSQI-OAHLLOKOSA-N	1	1	354.458	2.080	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N(C)CC1CC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000522220728	562194594	/nfs/dbraw/zinc/19/45/94/562194594.db2.gz	VOLMDMGMDUJSQI-OAHLLOKOSA-N	1	1	354.458	2.080	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](CC(N)=O)C2)c1	ZINC000377490134	558350049	/nfs/dbraw/zinc/35/00/49/558350049.db2.gz	KQOOTEAOBSILOR-IAGOWNOFSA-N	1	1	356.470	2.136	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000377851390	558434976	/nfs/dbraw/zinc/43/49/76/558434976.db2.gz	SWSQDSTXYHVYRI-GOSISDBHSA-N	1	1	355.463	2.453	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)Cc2ccc(C#N)cc2)c2cccs2)CC1	ZINC000523362139	562211988	/nfs/dbraw/zinc/21/19/88/562211988.db2.gz	VWMRKRMBBUGWDL-SFHVURJKSA-N	1	1	368.506	2.267	20	30		FEEDMO
C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1	ZINC000523467144	562213619	/nfs/dbraw/zinc/21/36/19/562213619.db2.gz	LWJPRFRVOUSIOK-ARFHVFGLSA-N	1	1	359.470	2.315	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](CCOC)C1	ZINC000524135775	562224314	/nfs/dbraw/zinc/22/43/14/562224314.db2.gz	RCQWQRMXSVAPKE-MRXNPFEDSA-N	1	1	362.430	2.013	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)NCC[NH+]2CCSCC2)c1C#N	ZINC000524287730	562226548	/nfs/dbraw/zinc/22/65/48/562226548.db2.gz	WRNIMKYSFBTTKD-UHFFFAOYSA-N	1	1	362.524	2.331	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC	ZINC000409575717	558704516	/nfs/dbraw/zinc/70/45/16/558704516.db2.gz	KXWYUZMHLSNJGI-ZBFHGGJFSA-N	1	1	372.560	2.447	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccccc1C[N@@H+](C)C(C)C	ZINC000409597137	558706715	/nfs/dbraw/zinc/70/67/15/558706715.db2.gz	RULATBMWRCRPOF-MRXNPFEDSA-N	1	1	366.531	2.343	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](CC)[C@H](C)C3)cc2C1=O	ZINC000525397239	562247481	/nfs/dbraw/zinc/24/74/81/562247481.db2.gz	MNYFZILFORCYOI-GDBMZVCRSA-N	1	1	369.465	2.413	20	30		FEEDMO
CC(C)[N@@H+](CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CCC(=O)N1	ZINC000412063536	559008955	/nfs/dbraw/zinc/00/89/55/559008955.db2.gz	BODKARLJQIPCQS-AWEZNQCLSA-N	1	1	360.483	2.230	20	30		FEEDMO
CC(C)[N@H+](CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CCC(=O)N1	ZINC000412063536	559008956	/nfs/dbraw/zinc/00/89/56/559008956.db2.gz	BODKARLJQIPCQS-AWEZNQCLSA-N	1	1	360.483	2.230	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H](O)[C@H](CO)C3)c2)c1	ZINC000414556054	559171238	/nfs/dbraw/zinc/17/12/38/559171238.db2.gz	JEEHUHOXRHIIMR-PZJWPPBQSA-N	1	1	352.434	2.312	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000416684751	559329531	/nfs/dbraw/zinc/32/95/31/559329531.db2.gz	LRNNGTVMXFFVLB-IEBWSBKVSA-N	1	1	356.470	2.346	20	30		FEEDMO
COCC(COC)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000416732830	559330325	/nfs/dbraw/zinc/33/03/25/559330325.db2.gz	LFMNBMCRUAIGKN-UHFFFAOYSA-N	1	1	366.849	2.023	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(C#N)ccc1Br	ZINC000419348530	559438977	/nfs/dbraw/zinc/43/89/77/559438977.db2.gz	XRCBWBLUVMATQP-STQMWFEESA-N	1	1	352.276	2.208	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000420734524	559501151	/nfs/dbraw/zinc/50/11/51/559501151.db2.gz	JIRKRSHMRAQZSB-NSHDSACASA-N	1	1	372.288	2.035	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)[C@@H]1C	ZINC000420920965	559511355	/nfs/dbraw/zinc/51/13/55/559511355.db2.gz	CDXBSYDUMWKQLF-PMPSAXMXSA-N	1	1	351.491	2.437	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)[C@@H]1C	ZINC000420920965	559511356	/nfs/dbraw/zinc/51/13/56/559511356.db2.gz	CDXBSYDUMWKQLF-PMPSAXMXSA-N	1	1	351.491	2.437	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C#N)cn1CC	ZINC000421164267	559527929	/nfs/dbraw/zinc/52/79/29/559527929.db2.gz	KHHDXWCRFXLVTB-GJZGRUSLSA-N	1	1	373.457	2.305	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c(C#N)cn1CC	ZINC000421172322	559528586	/nfs/dbraw/zinc/52/85/86/559528586.db2.gz	JLXUSLXHMJUASV-DZGCQCFKSA-N	1	1	373.457	2.114	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)c(C#N)cn1CC	ZINC000421181932	559529475	/nfs/dbraw/zinc/52/94/75/559529475.db2.gz	KDDCYIOFELOFFK-CQSZACIVSA-N	1	1	361.446	2.114	20	30		FEEDMO
C=CCn1c(C2CC2)nnc1N1CCC[N@H+](C2CCN(CC)CC2)CC1	ZINC000421264394	559534413	/nfs/dbraw/zinc/53/44/13/559534413.db2.gz	DWMOGDIHZNRKBT-UHFFFAOYSA-N	1	1	358.534	2.338	20	30		FEEDMO
C=CCn1c(C2CC2)nnc1N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000421264394	559534414	/nfs/dbraw/zinc/53/44/14/559534414.db2.gz	DWMOGDIHZNRKBT-UHFFFAOYSA-N	1	1	358.534	2.338	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000421710877	559550472	/nfs/dbraw/zinc/55/04/72/559550472.db2.gz	MTSPDYXYEPPZRP-GDBMZVCRSA-N	1	1	374.872	2.117	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000422301040	559576962	/nfs/dbraw/zinc/57/69/62/559576962.db2.gz	WBAYHCKEJDQNPH-RTBURBONSA-N	1	1	369.509	2.423	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1	ZINC000422533228	559593262	/nfs/dbraw/zinc/59/32/62/559593262.db2.gz	WSZFKVNGADLLQB-LJQANCHMSA-N	1	1	357.498	2.233	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000527299132	562284224	/nfs/dbraw/zinc/28/42/24/562284224.db2.gz	XUKGIYLPPYGEHG-QWHCGFSZSA-N	1	1	369.391	2.490	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000527299132	562284225	/nfs/dbraw/zinc/28/42/25/562284225.db2.gz	XUKGIYLPPYGEHG-QWHCGFSZSA-N	1	1	369.391	2.490	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(NC(=O)C2CCCCC2)CC1	ZINC000527298033	562284337	/nfs/dbraw/zinc/28/43/37/562284337.db2.gz	LVPJVENLSPRZLM-OAHLLOKOSA-N	1	1	360.502	2.098	20	30		FEEDMO
C=CCCn1cc(C(=O)NC[C@H](CC)[N@H+]2CCc3ccccc3C2)nn1	ZINC000424581825	559670109	/nfs/dbraw/zinc/67/01/09/559670109.db2.gz	HWVAMWMOANKALM-SFHVURJKSA-N	1	1	353.470	2.421	20	30		FEEDMO
C=CCC1(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CCOCC1	ZINC000424759824	559675890	/nfs/dbraw/zinc/67/58/90/559675890.db2.gz	WNKSZEUSGVTHJG-OALUTQOASA-N	1	1	358.482	2.111	20	30		FEEDMO
C=CCCn1cc(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000424778346	559676361	/nfs/dbraw/zinc/67/63/61/559676361.db2.gz	DYRGJXBUKUPLHY-SJLPKXTDSA-N	1	1	353.470	2.495	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)N1CC[NH+](C(C)(C)COC)CC1	ZINC000424980993	559682088	/nfs/dbraw/zinc/68/20/88/559682088.db2.gz	AKOIAHMCMMLGKO-UHFFFAOYSA-N	1	1	362.470	2.443	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@H](CC)[N@H+]2CCc3ccccc3C2)nn1	ZINC000425395959	559700107	/nfs/dbraw/zinc/70/01/07/559700107.db2.gz	OPJFKUFUXIDKHI-IBGZPJMESA-N	1	1	368.485	2.100	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1	ZINC000425470323	559703956	/nfs/dbraw/zinc/70/39/56/559703956.db2.gz	FMOKRGADDOINJG-LPHOPBHVSA-N	1	1	368.485	2.174	20	30		FEEDMO
C=CCn1cc(CNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)nn1	ZINC000425471983	559704238	/nfs/dbraw/zinc/70/42/38/559704238.db2.gz	HVYFXYUDPNCVRF-INIZCTEOSA-N	1	1	356.474	2.174	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000425503219	559706156	/nfs/dbraw/zinc/70/61/56/559706156.db2.gz	RPAYQMDEQDPNLC-DLBZAZTESA-N	1	1	357.502	2.287	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C	ZINC000425864539	559723243	/nfs/dbraw/zinc/72/32/43/559723243.db2.gz	NOTJWIBUUZZXDK-PBHICJAKSA-N	1	1	368.437	2.090	20	30		FEEDMO
COC(=O)c1ccccc1CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428790221	559783529	/nfs/dbraw/zinc/78/35/29/559783529.db2.gz	QNDDMGDZRHHGNS-QGZVFWFLSA-N	1	1	351.406	2.436	20	30		FEEDMO
C[C@H](c1ccccc1)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C(N)=O	ZINC000428860742	559785003	/nfs/dbraw/zinc/78/50/03/559785003.db2.gz	NHMOVURUZTWKQN-XIKOKIGWSA-N	1	1	370.840	2.397	20	30		FEEDMO
C[C@@H]1C[C@@H]1[N@H+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)C1	ZINC000429019509	559788850	/nfs/dbraw/zinc/78/88/50/559788850.db2.gz	JNKUVQHNZFLHMN-SMOSDQRPSA-N	1	1	352.482	2.326	20	30		FEEDMO
C[N@H+](CCCNC(=O)C1CCC1)CC(=O)N(CCC#N)c1ccccc1	ZINC000429549393	559801100	/nfs/dbraw/zinc/80/11/00/559801100.db2.gz	SVGGUTNLJZNYGG-UHFFFAOYSA-N	1	1	356.470	2.171	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C1CCC1)CC(=O)N(CCC#N)c1ccccc1	ZINC000429549393	559801101	/nfs/dbraw/zinc/80/11/01/559801101.db2.gz	SVGGUTNLJZNYGG-UHFFFAOYSA-N	1	1	356.470	2.171	20	30		FEEDMO
N#Cc1ccc(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)o1	ZINC000429850662	559807082	/nfs/dbraw/zinc/80/70/82/559807082.db2.gz	NJGXZUIREHVAEB-UHFFFAOYSA-N	1	1	366.465	2.479	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000430310091	559817566	/nfs/dbraw/zinc/81/75/66/559817566.db2.gz	YHFQVRPBBJHKCX-WWMYMODYSA-N	1	1	370.497	2.414	20	30		FEEDMO
N#CCC1(CNC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1	ZINC000430911183	559830041	/nfs/dbraw/zinc/83/00/41/559830041.db2.gz	GKPBVILAIYACJV-SFHVURJKSA-N	1	1	356.470	2.136	20	30		FEEDMO
Cc1[nH]nc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C#N	ZINC000431444381	559839317	/nfs/dbraw/zinc/83/93/17/559839317.db2.gz	JXPSNOFDDALECT-BETUJISGSA-N	1	1	353.426	2.451	20	30		FEEDMO
Cc1[nH]nc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C#N	ZINC000431444381	559839318	/nfs/dbraw/zinc/83/93/18/559839318.db2.gz	JXPSNOFDDALECT-BETUJISGSA-N	1	1	353.426	2.451	20	30		FEEDMO
N#CCCC[C@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1	ZINC000431931125	559848718	/nfs/dbraw/zinc/84/87/18/559848718.db2.gz	MRURDLBLFNVNJB-ROUUACIJSA-N	1	1	371.485	2.061	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccsc1	ZINC000433535001	559883794	/nfs/dbraw/zinc/88/37/94/559883794.db2.gz	SUJMMDZZHJJWGC-HNNXBMFYSA-N	1	1	360.414	2.116	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCN1CCOC(C)(C)C1	ZINC000434699475	559906733	/nfs/dbraw/zinc/90/67/33/559906733.db2.gz	LAEXRVCMAVCXPJ-GOSISDBHSA-N	1	1	372.513	2.364	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCN1CCOC(C)(C)C1	ZINC000434699475	559906734	/nfs/dbraw/zinc/90/67/34/559906734.db2.gz	LAEXRVCMAVCXPJ-GOSISDBHSA-N	1	1	372.513	2.364	20	30		FEEDMO
CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(C#N)ccn3)cc2F)CC1	ZINC000435997983	559933512	/nfs/dbraw/zinc/93/35/12/559933512.db2.gz	VCPJPDBHPIHJOE-UHFFFAOYSA-N	1	1	353.401	2.487	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000436260743	559938850	/nfs/dbraw/zinc/93/88/50/559938850.db2.gz	IKIVGSKAYGACSD-NRSPTQNISA-N	1	1	369.509	2.161	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000436260743	559938851	/nfs/dbraw/zinc/93/88/51/559938851.db2.gz	IKIVGSKAYGACSD-NRSPTQNISA-N	1	1	369.509	2.161	20	30		FEEDMO
C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000443076468	560069667	/nfs/dbraw/zinc/06/96/67/560069667.db2.gz	KRWXICAWJXTENV-LLVKDONJSA-N	1	1	361.389	2.292	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000443076468	560069668	/nfs/dbraw/zinc/06/96/68/560069668.db2.gz	KRWXICAWJXTENV-LLVKDONJSA-N	1	1	361.389	2.292	20	30		FEEDMO
C=CC[C@H]1[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CCCC1(C)C	ZINC000444783581	560120782	/nfs/dbraw/zinc/12/07/82/560120782.db2.gz	LFDRPLVXCIBACS-CQSZACIVSA-N	1	1	360.458	2.115	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1	ZINC000448695467	560194836	/nfs/dbraw/zinc/19/48/36/560194836.db2.gz	XFLJZQAMZDHSIN-UXHICEINSA-N	1	1	357.498	2.031	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCN(c3ncc(Br)cc3C#N)CC2)CCO1	ZINC000450262846	560256239	/nfs/dbraw/zinc/25/62/39/560256239.db2.gz	UYVUVOKDTIFHFZ-LBPRGKRZSA-N	1	1	365.275	2.405	20	30		FEEDMO
C=CC[N@@H+](C[C@H]1CCNC(=O)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000450392711	560261011	/nfs/dbraw/zinc/26/10/11/560261011.db2.gz	NPXLCJWHWKLBFV-JKSUJKDBSA-N	1	1	354.458	2.128	20	30		FEEDMO
N#CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)c1	ZINC000451052898	560284720	/nfs/dbraw/zinc/28/47/20/560284720.db2.gz	FZOWOMWWGPSLBJ-HUUCEWRRSA-N	1	1	353.875	2.311	20	30		FEEDMO
CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(C#N)n2C)CC1	ZINC000451164889	560290688	/nfs/dbraw/zinc/29/06/88/560290688.db2.gz	SWAGQEOFQMKHPS-UHFFFAOYSA-N	1	1	374.485	2.165	20	30		FEEDMO
CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc(C#N)n2C)CC1	ZINC000451164889	560290689	/nfs/dbraw/zinc/29/06/89/560290689.db2.gz	SWAGQEOFQMKHPS-UHFFFAOYSA-N	1	1	374.485	2.165	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000451173746	560291231	/nfs/dbraw/zinc/29/12/31/560291231.db2.gz	UCRCQVISVAHJAC-UHFFFAOYSA-N	1	1	360.458	2.073	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000451173746	560291232	/nfs/dbraw/zinc/29/12/32/560291232.db2.gz	UCRCQVISVAHJAC-UHFFFAOYSA-N	1	1	360.458	2.073	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)C[N@@H+]1C1CC1	ZINC000451293853	560298551	/nfs/dbraw/zinc/29/85/51/560298551.db2.gz	FZZKVRATHVFNNS-AAEUAGOBSA-N	1	1	353.875	2.310	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)C[N@H+]1C1CC1	ZINC000451293853	560298552	/nfs/dbraw/zinc/29/85/52/560298552.db2.gz	FZZKVRATHVFNNS-AAEUAGOBSA-N	1	1	353.875	2.310	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)CC1	ZINC000451524165	560311823	/nfs/dbraw/zinc/31/18/23/560311823.db2.gz	BQNBTJKJHGWQAE-LJQANCHMSA-N	1	1	372.488	2.464	20	30		FEEDMO
N#C[C@H]1N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[C@@]12CCCCO2	ZINC000451524821	560311858	/nfs/dbraw/zinc/31/18/58/560311858.db2.gz	LTKQSTHBQDQWJP-MJGOQNOKSA-N	1	1	351.410	2.335	20	30		FEEDMO
COC[C@@]1(CO)CC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1	ZINC000451927387	560338064	/nfs/dbraw/zinc/33/80/64/560338064.db2.gz	NFEAVYLTQVVPCQ-FQEVSTJZSA-N	1	1	355.438	2.068	20	30		FEEDMO
COC[C@@]1(CO)CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1	ZINC000451927387	560338065	/nfs/dbraw/zinc/33/80/65/560338065.db2.gz	NFEAVYLTQVVPCQ-FQEVSTJZSA-N	1	1	355.438	2.068	20	30		FEEDMO
C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1	ZINC000453472770	560387668	/nfs/dbraw/zinc/38/76/68/560387668.db2.gz	YJQXGMBTPBWJOX-MRXNPFEDSA-N	1	1	363.506	2.253	20	30		FEEDMO
C=C(C)Cn1c([C@H]2CCCO2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1	ZINC000453472770	560387669	/nfs/dbraw/zinc/38/76/69/560387669.db2.gz	YJQXGMBTPBWJOX-MRXNPFEDSA-N	1	1	363.506	2.253	20	30		FEEDMO
CC(C)[C@H]1CCc2c(C#N)c(NC(=O)C(=O)NCC[NH+]3CCC3)sc2C1	ZINC000453671033	560395374	/nfs/dbraw/zinc/39/53/74/560395374.db2.gz	LRZGOTOGWBLBLT-ZDUSSCGKSA-N	1	1	374.510	2.141	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000453704795	560398187	/nfs/dbraw/zinc/39/81/87/560398187.db2.gz	TXMYZMQXEGKAQD-NVXWUHKLSA-N	1	1	368.481	2.460	20	30		FEEDMO
CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1	ZINC000453995134	560420489	/nfs/dbraw/zinc/42/04/89/560420489.db2.gz	LEKJOMJKYCNDGD-HNNXBMFYSA-N	1	1	372.469	2.227	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)NCc1ccc(C#N)c(F)c1)[NH+]1CCOCC1	ZINC000454223740	560435302	/nfs/dbraw/zinc/43/53/02/560435302.db2.gz	GGHGXLLUQXOOKS-QGZVFWFLSA-N	1	1	362.449	2.243	20	30		FEEDMO
N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1	ZINC000454711155	560455251	/nfs/dbraw/zinc/45/52/51/560455251.db2.gz	JCXSDVCFNFUSOG-ZDUSSCGKSA-N	1	1	368.384	2.128	20	30		FEEDMO
N#CCc1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(Cl)c1	ZINC000455734875	560493307	/nfs/dbraw/zinc/49/33/07/560493307.db2.gz	PXVUQCFOTIDKEQ-CQSZACIVSA-N	1	1	350.850	2.374	20	30		FEEDMO
C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)[N@@H+]1CCO	ZINC000456211334	560511410	/nfs/dbraw/zinc/51/14/10/560511410.db2.gz	NUUPXHDWMGVSIE-CALCHBBNSA-N	1	1	359.470	2.021	20	30		FEEDMO
CN(CC(C)(C)C#N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000458704394	560642102	/nfs/dbraw/zinc/64/21/02/560642102.db2.gz	AKXFHWOPSJMPDG-SFHVURJKSA-N	1	1	358.486	2.469	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC	ZINC000460054687	560732005	/nfs/dbraw/zinc/73/20/05/560732005.db2.gz	DNFFNISTFOGRPN-LJQANCHMSA-N	1	1	357.498	2.186	20	30		FEEDMO
CN(C)c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc1	ZINC000460287945	560740888	/nfs/dbraw/zinc/74/08/88/560740888.db2.gz	ZWLRSABOVYCRQY-UHFFFAOYSA-N	1	1	363.465	2.367	20	30		FEEDMO
CN(C)c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nc1	ZINC000460287945	560740889	/nfs/dbraw/zinc/74/08/89/560740889.db2.gz	ZWLRSABOVYCRQY-UHFFFAOYSA-N	1	1	363.465	2.367	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C	ZINC000460563387	560746378	/nfs/dbraw/zinc/74/63/78/560746378.db2.gz	VHAGOEHYQDQKCW-IKGGRYGDSA-N	1	1	365.522	2.497	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C[N@H+](CC)CCC)cc2C1=O	ZINC000461620541	560777390	/nfs/dbraw/zinc/77/73/90/560777390.db2.gz	WZOHMYLGYFCNGW-CQSZACIVSA-N	1	1	357.454	2.319	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1C	ZINC000462087807	560796324	/nfs/dbraw/zinc/79/63/24/560796324.db2.gz	FBNSTINESUNMSL-YOEHRIQHSA-N	1	1	367.457	2.475	20	30		FEEDMO
C[C@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)[N@H+]1CCC[C@@H](C)C1	ZINC000462128996	560798254	/nfs/dbraw/zinc/79/82/54/560798254.db2.gz	OTQJGUCLYYIDAF-HZPDHXFCSA-N	1	1	356.470	2.451	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000463679980	560821172	/nfs/dbraw/zinc/82/11/72/560821172.db2.gz	PVCWVXMKCKUJCI-QGZVFWFLSA-N	1	1	371.462	2.120	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000463679980	560821174	/nfs/dbraw/zinc/82/11/74/560821174.db2.gz	PVCWVXMKCKUJCI-QGZVFWFLSA-N	1	1	371.462	2.120	20	30		FEEDMO
CC(C)OC(=O)C[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000464495419	560843349	/nfs/dbraw/zinc/84/33/49/560843349.db2.gz	SIBCQMXYPFFUDI-GOSISDBHSA-N	1	1	357.454	2.228	20	30		FEEDMO
CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000464495419	560843350	/nfs/dbraw/zinc/84/33/50/560843350.db2.gz	SIBCQMXYPFFUDI-GOSISDBHSA-N	1	1	357.454	2.228	20	30		FEEDMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cn(CCCC#N)c2ccccc12	ZINC000469367726	560953394	/nfs/dbraw/zinc/95/33/94/560953394.db2.gz	QEZAYDUFCWWUCW-QGZVFWFLSA-N	1	1	367.497	2.311	20	30		FEEDMO
C[C@H](CO)[N@H+]1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000470412173	560981052	/nfs/dbraw/zinc/98/10/52/560981052.db2.gz	TYNZFBIEQWPKOA-GFCCVEGCSA-N	1	1	370.375	2.497	20	30		FEEDMO
C=C(C)C[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccccc1	ZINC000470906036	560993319	/nfs/dbraw/zinc/99/33/19/560993319.db2.gz	KLOOTTYZKCTIIS-UHFFFAOYSA-N	1	1	355.482	2.146	20	30		FEEDMO
C=C(C)C[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)Cc1ccccc1	ZINC000470906036	560993320	/nfs/dbraw/zinc/99/33/20/560993320.db2.gz	KLOOTTYZKCTIIS-UHFFFAOYSA-N	1	1	355.482	2.146	20	30		FEEDMO
CCN1CC[N@H+](CCOc2ccc(C#N)cc2OC)C[C@@H]1c1ncc[nH]1	ZINC000471088282	560998061	/nfs/dbraw/zinc/99/80/61/560998061.db2.gz	FNIVMBOICYCTJQ-MRXNPFEDSA-N	1	1	355.442	2.048	20	30		FEEDMO
CCN1CC[N@@H+](CCOc2ccc(C#N)cc2OC)C[C@@H]1c1ncc[nH]1	ZINC000471088282	560998062	/nfs/dbraw/zinc/99/80/62/560998062.db2.gz	FNIVMBOICYCTJQ-MRXNPFEDSA-N	1	1	355.442	2.048	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H]2CO)c1C#N	ZINC000472236430	561021602	/nfs/dbraw/zinc/02/16/02/561021602.db2.gz	DTOPAWRRYCMIJU-MRXNPFEDSA-N	1	1	370.453	2.403	20	30		FEEDMO
C=CCc1cc(CNC(=O)NCC[N@@H+]2CC=CCC2)cc(OC)c1OC	ZINC000474252583	561069438	/nfs/dbraw/zinc/06/94/38/561069438.db2.gz	LIIMTJHNSQJVHX-UHFFFAOYSA-N	1	1	359.470	2.493	20	30		FEEDMO
COc1ccc(CNC(=O)C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)cc1	ZINC000475724262	561103459	/nfs/dbraw/zinc/10/34/59/561103459.db2.gz	IGFNKUDRGHPBJJ-QGZVFWFLSA-N	1	1	354.454	2.467	20	30		FEEDMO
CC(C)[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)N1CC[NH+](C)CC1	ZINC000475907489	561107667	/nfs/dbraw/zinc/10/76/67/561107667.db2.gz	UZOLTTGTMOTGAN-IBGZPJMESA-N	1	1	356.514	2.490	20	30		FEEDMO
C[C@H]1C[C@H](N(C)C(=O)c2cnn(C)c2C#N)CC[N@H+]1Cc1ccccc1	ZINC000476083181	561111021	/nfs/dbraw/zinc/11/10/21/561111021.db2.gz	BEFROPUIJSXZGJ-DOTOQJQBSA-N	1	1	351.454	2.417	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CCN1CCC(C[NH+]2CCCC2)CC1	ZINC000528349102	562324170	/nfs/dbraw/zinc/32/41/70/562324170.db2.gz	GQPPZGYULLHNIH-UHFFFAOYSA-N	1	1	365.477	2.094	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1	ZINC000528405415	562327138	/nfs/dbraw/zinc/32/71/38/562327138.db2.gz	SIIRNGHPUXTFOP-KZNAEPCWSA-N	1	1	356.422	2.479	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1	ZINC000528435104	562329166	/nfs/dbraw/zinc/32/91/66/562329166.db2.gz	ZADFPKRWTTWPEF-SJORKVTESA-N	1	1	367.453	2.173	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1	ZINC000528435104	562329168	/nfs/dbraw/zinc/32/91/68/562329168.db2.gz	ZADFPKRWTTWPEF-SJORKVTESA-N	1	1	367.453	2.173	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c(F)c1	ZINC000528470739	562330895	/nfs/dbraw/zinc/33/08/95/562330895.db2.gz	BCNOQZQMICHADJ-HNNXBMFYSA-N	1	1	351.447	2.383	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1C[C@H](O)COc1ccccc1C#N	ZINC000528513873	562333409	/nfs/dbraw/zinc/33/34/09/562333409.db2.gz	WLXKLYCZTGPUMS-JZXOWHBKSA-N	1	1	373.497	2.265	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1C[C@H](O)COc1ccccc1C#N	ZINC000528513873	562333410	/nfs/dbraw/zinc/33/34/10/562333410.db2.gz	WLXKLYCZTGPUMS-JZXOWHBKSA-N	1	1	373.497	2.265	20	30		FEEDMO
C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000528528381	562334186	/nfs/dbraw/zinc/33/41/86/562334186.db2.gz	BZFQPSPAQFVICC-KXBFYZLASA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000528528381	562334187	/nfs/dbraw/zinc/33/41/87/562334187.db2.gz	BZFQPSPAQFVICC-KXBFYZLASA-N	1	1	370.478	2.142	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CC2(CCOCC2)CC[C@H]1CO	ZINC000528636629	562339391	/nfs/dbraw/zinc/33/93/91/562339391.db2.gz	DFLLNENYTCASIX-KRWDZBQOSA-N	1	1	360.454	2.199	20	30		FEEDMO
CCOC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1	ZINC000528721243	562343722	/nfs/dbraw/zinc/34/37/22/562343722.db2.gz	LXDLVCRGQXSTET-HNNXBMFYSA-N	1	1	351.834	2.278	20	30		FEEDMO
CCOC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1	ZINC000528721243	562343723	/nfs/dbraw/zinc/34/37/23/562343723.db2.gz	LXDLVCRGQXSTET-HNNXBMFYSA-N	1	1	351.834	2.278	20	30		FEEDMO
COCc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1C#N	ZINC000529212077	562365078	/nfs/dbraw/zinc/36/50/78/562365078.db2.gz	MXDDYIHGNFSACV-RTBURBONSA-N	1	1	372.469	2.470	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)cc1	ZINC000529357347	562370800	/nfs/dbraw/zinc/37/08/00/562370800.db2.gz	LQDSDAKLBMMCAL-LJQANCHMSA-N	1	1	367.497	2.060	20	30		FEEDMO
C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCC1	ZINC000530336767	562407347	/nfs/dbraw/zinc/40/73/47/562407347.db2.gz	VFXZMKJDWOBHDL-AOIWGVFYSA-N	1	1	354.498	2.438	20	30		FEEDMO
C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCC1	ZINC000530336767	562407348	/nfs/dbraw/zinc/40/73/48/562407348.db2.gz	VFXZMKJDWOBHDL-AOIWGVFYSA-N	1	1	354.498	2.438	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2C)c1C#N	ZINC000530360961	562408265	/nfs/dbraw/zinc/40/82/65/562408265.db2.gz	QWFNFBIYLBSKDU-SJKOYZFVSA-N	1	1	370.428	2.499	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)c1C#N	ZINC000530360961	562408266	/nfs/dbraw/zinc/40/82/66/562408266.db2.gz	QWFNFBIYLBSKDU-SJKOYZFVSA-N	1	1	370.428	2.499	20	30		FEEDMO
Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H](C#N)c2ccc(F)cc2)CC1	ZINC000531125557	562435466	/nfs/dbraw/zinc/43/54/66/562435466.db2.gz	HNJXKTXDPNRTMY-QGZVFWFLSA-N	1	1	355.417	2.152	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1	ZINC000531283687	562440594	/nfs/dbraw/zinc/44/05/94/562440594.db2.gz	KDVXVODOYICVAK-GJZGRUSLSA-N	1	1	374.510	2.335	20	30		FEEDMO
C=CC1CC[NH+](CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1	ZINC000532965964	562494050	/nfs/dbraw/zinc/49/40/50/562494050.db2.gz	NPJUBITWCXYKOD-UHFFFAOYSA-N	1	1	360.410	2.096	20	30		FEEDMO
N#Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000534917938	562545208	/nfs/dbraw/zinc/54/52/08/562545208.db2.gz	YGIHJEKFWPRLEU-IAGOWNOFSA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CNC(=O)C3)o2)cc1	ZINC000536545416	562578642	/nfs/dbraw/zinc/57/86/42/562578642.db2.gz	WGNULGXPFSRYEZ-JKSUJKDBSA-N	1	1	351.410	2.099	20	30		FEEDMO
CC[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)CC1CC1	ZINC000537249027	562588696	/nfs/dbraw/zinc/58/86/96/562588696.db2.gz	OHNWPYILQHBJBB-IBGZPJMESA-N	1	1	358.461	2.266	20	30		FEEDMO
CN(c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1CC1CC1)[C@H]1CCC[C@@H]1C#N	ZINC000601905925	567871492	/nfs/dbraw/zinc/87/14/92/567871492.db2.gz	WTUCMHJZNHAUIK-BDXSIMOUSA-N	1	1	370.501	2.352	20	30		FEEDMO
CN(c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1CC1CC1)[C@@H]1CCC[C@H]1C#N	ZINC000601905927	567871497	/nfs/dbraw/zinc/87/14/97/567871497.db2.gz	WTUCMHJZNHAUIK-MLHJIOFPSA-N	1	1	370.501	2.352	20	30		FEEDMO
O=C(NCC[N@@H+]1CC[C@H](O)C1)Nc1cccc(C#Cc2cccs2)c1	ZINC000626250182	567970481	/nfs/dbraw/zinc/97/04/81/567970481.db2.gz	ANPFXNULXNKNJZ-KRWDZBQOSA-N	1	1	355.463	2.336	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C[C@H](C)N1CC#N	ZINC000602858784	568003017	/nfs/dbraw/zinc/00/30/17/568003017.db2.gz	VDXPJJUGBYWSDU-QKLQHJQFSA-N	1	1	354.498	2.488	20	30		FEEDMO
Cn1cc(C2=CCC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)cn1	ZINC000602885144	568005380	/nfs/dbraw/zinc/00/53/80/568005380.db2.gz	CDJMTTMDZJOHCY-IBGZPJMESA-N	1	1	352.438	2.015	20	30		FEEDMO
CC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@@H]1CCN(CC(F)(F)F)C1	ZINC000602890635	568007125	/nfs/dbraw/zinc/00/71/25/568007125.db2.gz	BWIAGBFZESQTHP-CABCVRRESA-N	1	1	363.424	2.016	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@H](C)N1CC#N	ZINC000603087992	568059331	/nfs/dbraw/zinc/05/93/31/568059331.db2.gz	CFNDHGFIIFTBOA-LXTVHRRPSA-N	1	1	374.451	2.340	20	30		FEEDMO
C[C@H]([NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F)C(=O)NC1(C#N)CCC1	ZINC000603142107	568067165	/nfs/dbraw/zinc/06/71/65/568067165.db2.gz	BTWGFCZDKREXTM-AEGPPILISA-N	1	1	369.387	2.061	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)n1cc(C[NH2+]Cc2ccccc2)nn1	ZINC000603177134	568068178	/nfs/dbraw/zinc/06/81/78/568068178.db2.gz	RFWBAGXCACBIBT-KXBFYZLASA-N	1	1	354.458	2.183	20	30		FEEDMO
CC[NH+]1CCN(C(=O)[C@@H](C)n2cc(CC3(C#N)CCCCC3)nn2)CC1	ZINC000603184842	568071375	/nfs/dbraw/zinc/07/13/75/568071375.db2.gz	XODNKYHBSOAYQQ-MRXNPFEDSA-N	1	1	358.490	2.020	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)n1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1	ZINC000603240315	568080421	/nfs/dbraw/zinc/08/04/21/568080421.db2.gz	SBHLAMLETYMJCP-RDTXWAMCSA-N	1	1	364.453	2.179	20	30		FEEDMO
C=CCn1c(-c2scnc2C)nnc1N1CC[NH+](CCOCC)CC1	ZINC000563127296	568262712	/nfs/dbraw/zinc/26/27/12/568262712.db2.gz	ZAAFTVIUYNRXHT-UHFFFAOYSA-N	1	1	362.503	2.055	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNCCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000569421711	568401770	/nfs/dbraw/zinc/40/17/70/568401770.db2.gz	XHNNLJKHJRLSNJ-CALCHBBNSA-N	1	1	363.527	2.290	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1	ZINC000737034586	598983364	/nfs/dbraw/zinc/98/33/64/598983364.db2.gz	KLQDDMVPKYCABH-UHFFFAOYSA-N	1	1	364.409	2.258	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@@H](C)C#N	ZINC000736535956	598759944	/nfs/dbraw/zinc/75/99/44/598759944.db2.gz	ZLLRMAAYZGEUPU-NSHDSACASA-N	1	1	361.837	2.330	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)s1)c1ccc(F)cc1	ZINC000557848039	674470691	/nfs/dbraw/zinc/47/06/91/674470691.db2.gz	BOCXGSNEEJKECE-AWEZNQCLSA-N	1	1	353.444	2.340	20	30		FEEDMO
CC(=NNCCC[NH+]1CCOCC1)[C@H]1CCCN1C(=O)OC(C)(C)C	ZINC000814923666	674888900	/nfs/dbraw/zinc/88/89/00/674888900.db2.gz	MLLDMNGGVYHSHX-MRXNPFEDSA-N	1	1	354.495	2.074	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1Cl	ZINC000564289254	674990885	/nfs/dbraw/zinc/99/08/85/674990885.db2.gz	YMRQJGXHDHTQGB-FRFSOERESA-N	1	1	363.845	2.012	20	30		FEEDMO
Cc1nsc(NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCC[N@H+]2C)c1C#N	ZINC001048062317	675004726	/nfs/dbraw/zinc/00/47/26/675004726.db2.gz	YBEYCUVDVKZKND-INWMFGNUSA-N	1	1	361.515	2.456	20	30		FEEDMO
C[NH+]=C(NCC1(N(C)C)CCOCC1)N(C)Cc1cccc(Cl)c1	ZINC000088390171	670691346	/nfs/dbraw/zinc/69/13/46/670691346.db2.gz	MUBJELNFRUOTCO-UHFFFAOYSA-N	1	1	352.910	2.458	20	30		FEEDMO
C=CCn1c(SC[C@@H](O)C[N@H+](C)C(C)C)nc2sccc2c1=O	ZINC000565725766	675146972	/nfs/dbraw/zinc/14/69/72/675146972.db2.gz	KOMXXYKPUHTRJT-LBPRGKRZSA-N	1	1	353.513	2.437	20	30		FEEDMO
C=C(C)Cn1c(-c2scnc2C)nnc1N1CC[NH+](CCOC)CC1	ZINC000576874265	671401185	/nfs/dbraw/zinc/40/11/85/671401185.db2.gz	LLKBMTPEPPGAEN-UHFFFAOYSA-N	1	1	362.503	2.055	20	30		FEEDMO
CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000581665378	671923416	/nfs/dbraw/zinc/92/34/16/671923416.db2.gz	JFRIDBBPRRWJTJ-NILFDRSVSA-N	1	1	363.483	2.219	20	30		FEEDMO
CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1	ZINC000121418369	671949066	/nfs/dbraw/zinc/94/90/66/671949066.db2.gz	MPZUBHCZBCYRES-HUUCEWRRSA-N	1	1	369.458	2.265	20	30		FEEDMO
C[C@H]1C[C@@H]1[N@H+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H](C)C1	ZINC000583358343	672087212	/nfs/dbraw/zinc/08/72/12/672087212.db2.gz	RVHDSUPDPQOKJF-WTTBNOFXSA-N	1	1	358.511	2.387	20	30		FEEDMO
CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000611037987	676013581	/nfs/dbraw/zinc/01/35/81/676013581.db2.gz	FXFLANJKIYJKFN-TXPKVOOTSA-N	1	1	351.491	2.485	20	30		FEEDMO
N#CC[C@@]1(O)CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1	ZINC000591938705	672724251	/nfs/dbraw/zinc/72/42/51/672724251.db2.gz	KGLAIFFTKIHHNG-CRAIPNDOSA-N	1	1	362.499	2.020	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H](CCO)c2ccccc2F)cc1	ZINC000592159084	672765567	/nfs/dbraw/zinc/76/55/67/672765567.db2.gz	BBQQCWMTSBVBLJ-SFHVURJKSA-N	1	1	362.426	2.184	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1C1CC1	ZINC000593128823	672880282	/nfs/dbraw/zinc/88/02/82/672880282.db2.gz	CRTUQKHPCSBKDA-LSDHHAIUSA-N	1	1	361.467	2.306	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C[C@H]1C1CC1	ZINC000593128823	672880285	/nfs/dbraw/zinc/88/02/85/672880285.db2.gz	CRTUQKHPCSBKDA-LSDHHAIUSA-N	1	1	361.467	2.306	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccsc1C#N)c1cccc(F)c1	ZINC000593524876	672933247	/nfs/dbraw/zinc/93/32/47/672933247.db2.gz	CZUQVCJZJSIWLX-ZDUSSCGKSA-N	1	1	353.444	2.340	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1ccc(Br)cc1C#N	ZINC000593577666	672949484	/nfs/dbraw/zinc/94/94/84/672949484.db2.gz	GEOWQLJMNNCKQL-NWDGAFQWSA-N	1	1	350.260	2.414	20	30		FEEDMO
C[N@@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccsc2C#N)C1	ZINC000593614217	672958739	/nfs/dbraw/zinc/95/87/39/672958739.db2.gz	VTNCWXHJFJVVNL-CABCVRRESA-N	1	1	361.492	2.243	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000289086986	672988247	/nfs/dbraw/zinc/98/82/47/672988247.db2.gz	GKVKQXTWOJXTTD-BBRMVZONSA-N	1	1	358.866	2.415	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000289086986	672988250	/nfs/dbraw/zinc/98/82/50/672988250.db2.gz	GKVKQXTWOJXTTD-BBRMVZONSA-N	1	1	358.866	2.415	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1	ZINC000595411736	673246137	/nfs/dbraw/zinc/24/61/37/673246137.db2.gz	SLTRQVHAMPMKCT-MRXNPFEDSA-N	1	1	365.474	2.239	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc(OC)c(OC(F)F)c1	ZINC000730275993	673268760	/nfs/dbraw/zinc/26/87/60/673268760.db2.gz	DZCLKXDXDYNIQM-AWEZNQCLSA-N	1	1	352.381	2.353	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc(OC)c(OC(F)F)c1	ZINC000730275993	673268765	/nfs/dbraw/zinc/26/87/65/673268765.db2.gz	DZCLKXDXDYNIQM-AWEZNQCLSA-N	1	1	352.381	2.353	20	30		FEEDMO
Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3ccsc3C#N)CC2)c1	ZINC000595634584	673276606	/nfs/dbraw/zinc/27/66/06/673276606.db2.gz	XSKPSTCKOWUDFK-MRXNPFEDSA-N	1	1	357.479	2.490	20	30		FEEDMO
C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H]1CCc2ccccc21	ZINC000595878326	673333519	/nfs/dbraw/zinc/33/35/19/673333519.db2.gz	NDYPVQUSBCQKLB-KRWDZBQOSA-N	1	1	355.463	2.389	20	30		FEEDMO
C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H]1CCc2ccccc21	ZINC000595878326	673333523	/nfs/dbraw/zinc/33/35/23/673333523.db2.gz	NDYPVQUSBCQKLB-KRWDZBQOSA-N	1	1	355.463	2.389	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1	ZINC000536348185	673368305	/nfs/dbraw/zinc/36/83/05/673368305.db2.gz	HHIYFSYDFDFHBS-QZTJIDSGSA-N	1	1	359.495	2.161	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=C1CCC[C@H]1c1ccccc1	ZINC000732527975	673370966	/nfs/dbraw/zinc/37/09/66/673370966.db2.gz	OZYSOUKWTYWLGL-KRWDZBQOSA-N	1	1	360.527	2.497	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC1(C#N)CCCCC1	ZINC000596868273	673420740	/nfs/dbraw/zinc/42/07/40/673420740.db2.gz	ISKSKRPNCCNLIE-UHFFFAOYSA-N	1	1	350.507	2.460	20	30		FEEDMO
C=CCCSCCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000597303079	673465931	/nfs/dbraw/zinc/46/59/31/673465931.db2.gz	DMLBXKGNFDJYBA-HZPDHXFCSA-N	1	1	367.559	2.181	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000542879067	673612552	/nfs/dbraw/zinc/61/25/52/673612552.db2.gz	IGZGUBMWEJBBEG-DOMZBBRYSA-N	1	1	357.376	2.337	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599359381	673663506	/nfs/dbraw/zinc/66/35/06/673663506.db2.gz	ACUVJANXKKGNKL-HOTGVXAUSA-N	1	1	352.475	2.111	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599360865	673663885	/nfs/dbraw/zinc/66/38/85/673663885.db2.gz	RIWQLXSDZWPLOU-IRXDYDNUSA-N	1	1	352.475	2.111	20	30		FEEDMO
C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)CC[N@H+]1C	ZINC000741460333	673687498	/nfs/dbraw/zinc/68/74/98/673687498.db2.gz	NPWLKDUGKDRHJH-GFCCVEGCSA-N	1	1	353.492	2.040	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH+]1CCC(c2ncc(C(=O)OC)s2)CC1	ZINC000599554744	673691048	/nfs/dbraw/zinc/69/10/48/673691048.db2.gz	ODSNOFJMMHQOHD-UHFFFAOYSA-N	1	1	363.483	2.310	20	30		FEEDMO
N#CC1CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2nccs2)C1	ZINC000599969019	673730945	/nfs/dbraw/zinc/73/09/45/673730945.db2.gz	SZGNECMKJMVZCU-IAGOWNOFSA-N	1	1	352.463	2.341	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCOc2ccccc2Br)CC1	ZINC000744425321	673796208	/nfs/dbraw/zinc/79/62/08/673796208.db2.gz	HBCJXPGXUCEDJF-UHFFFAOYSA-N	1	1	365.271	2.386	20	30		FEEDMO
CO[C@@]1(C(F)(F)F)CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000614924988	676196833	/nfs/dbraw/zinc/19/68/33/676196833.db2.gz	QPFUFKJFVHIKKO-HOCLYGCPSA-N	1	1	358.360	2.341	20	30		FEEDMO
CC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCN(CC(F)(F)F)C1	ZINC000602892050	673913196	/nfs/dbraw/zinc/91/31/96/673913196.db2.gz	LLIQFKHFLXGIQP-HNNXBMFYSA-N	1	1	354.376	2.455	20	30		FEEDMO
CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCN(CC(F)(F)F)C1	ZINC000602892050	673913198	/nfs/dbraw/zinc/91/31/98/673913198.db2.gz	LLIQFKHFLXGIQP-HNNXBMFYSA-N	1	1	354.376	2.455	20	30		FEEDMO
C[C@H]1COCC[N@H+]1C1CCN(c2cc(C#N)c(Br)cn2)CC1	ZINC000603403042	673929704	/nfs/dbraw/zinc/92/97/04/673929704.db2.gz	QUNWIKXSIGKRSJ-LBPRGKRZSA-N	1	1	365.275	2.405	20	30		FEEDMO
C=CCn1cc(C[NH2+]Cc2cc(Br)cc(OC)c2O)nn1	ZINC000818224256	675205325	/nfs/dbraw/zinc/20/53/25/675205325.db2.gz	JKTUAHVVQIAIGZ-UHFFFAOYSA-N	1	1	353.220	2.231	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cccc(I)c1C	ZINC000818593057	675226786	/nfs/dbraw/zinc/22/67/86/675226786.db2.gz	JNXYSAOZSLSHMZ-UHFFFAOYSA-N	1	1	370.234	2.285	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)Cc1cc(Br)ccc1OC	ZINC000818609105	675228527	/nfs/dbraw/zinc/22/85/27/675228527.db2.gz	KUCGVPJXSAYYDH-UHFFFAOYSA-N	1	1	353.260	2.072	20	30		FEEDMO
C=CCn1nnn(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1=S	ZINC000819896266	675321130	/nfs/dbraw/zinc/32/11/30/675321130.db2.gz	ASYGQYQQEYXYEL-DLBZAZTESA-N	1	1	356.499	2.159	20	30		FEEDMO
C#C[C@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Cl)cc1F	ZINC000820755117	675385495	/nfs/dbraw/zinc/38/54/95/675385495.db2.gz	GXMZWLGMGYLIBZ-IGCXYCKISA-N	1	1	367.852	2.250	20	30		FEEDMO
N#Cc1ccc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c(CS(N)(=O)=O)c1	ZINC000603415294	675798352	/nfs/dbraw/zinc/79/83/52/675798352.db2.gz	YGQQKXVXIDYULN-MRXNPFEDSA-N	1	1	362.499	2.166	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619768393	676393905	/nfs/dbraw/zinc/39/39/05/676393905.db2.gz	NYAUMDIEFNIMEZ-ZDUSSCGKSA-N	1	1	364.877	2.198	20	30		FEEDMO
C[C@@H](C[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O)c1nccs1	ZINC000625313558	676638746	/nfs/dbraw/zinc/63/87/46/676638746.db2.gz	MHZVLLCXSVLXGP-AWEZNQCLSA-N	1	1	353.447	2.478	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1	ZINC000830504569	677043647	/nfs/dbraw/zinc/04/36/47/677043647.db2.gz	VBKHURAWQZSWKZ-GJZGRUSLSA-N	1	1	365.499	2.424	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](OC(=O)N(C)C)C1	ZINC000830504569	677043648	/nfs/dbraw/zinc/04/36/48/677043648.db2.gz	VBKHURAWQZSWKZ-GJZGRUSLSA-N	1	1	365.499	2.424	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccccc1N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000641406275	677204759	/nfs/dbraw/zinc/20/47/59/677204759.db2.gz	OOILOUFGLHBKQD-MRXNPFEDSA-N	1	1	351.516	2.319	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O	ZINC000839090407	680737198	/nfs/dbraw/zinc/73/71/98/680737198.db2.gz	JZJZMJWNXJOHCU-JYJNAYRXSA-N	1	1	351.491	2.256	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C	ZINC000839654926	680769230	/nfs/dbraw/zinc/76/92/30/680769230.db2.gz	KSLCCHSVXIFSFA-GOSISDBHSA-N	1	1	354.495	2.230	20	30		FEEDMO
C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(S(=O)(=O)NC)cc1	ZINC000660539329	678354832	/nfs/dbraw/zinc/35/48/32/678354832.db2.gz	UHYBFMBXBOAGME-UHFFFAOYSA-N	1	1	364.467	2.258	20	30		FEEDMO
C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(S(=O)(=O)NC)cc1	ZINC000660539329	678354835	/nfs/dbraw/zinc/35/48/35/678354835.db2.gz	UHYBFMBXBOAGME-UHFFFAOYSA-N	1	1	364.467	2.258	20	30		FEEDMO
C[C@@H](O)[C@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000661769484	678532016	/nfs/dbraw/zinc/53/20/16/678532016.db2.gz	ISTBCQOMHWOPIL-CZUORRHYSA-N	1	1	354.372	2.018	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CCCS2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000669322348	679229109	/nfs/dbraw/zinc/22/91/09/679229109.db2.gz	PYSKYVVFTHDXHJ-CVEARBPZSA-N	1	1	363.531	2.333	20	30		FEEDMO
C#CC[N@@H+](CC)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000749155421	680023933	/nfs/dbraw/zinc/02/39/33/680023933.db2.gz	RBXISHYUDUPUCV-UHFFFAOYSA-N	1	1	353.388	2.309	20	30		FEEDMO
C#CC[N@H+](CC)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000749155421	680023938	/nfs/dbraw/zinc/02/39/38/680023938.db2.gz	RBXISHYUDUPUCV-UHFFFAOYSA-N	1	1	353.388	2.309	20	30		FEEDMO
C=CCOCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C2(C1)CCOCC2	ZINC000832034001	680079243	/nfs/dbraw/zinc/07/92/43/680079243.db2.gz	HTCHQKHKTMLWNU-INIZCTEOSA-N	1	1	354.491	2.442	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1	ZINC001022717558	680232087	/nfs/dbraw/zinc/23/20/87/680232087.db2.gz	DJWFQCVQSGIRQN-VNQPRFMTSA-N	1	1	367.921	2.309	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([C@H](C)OC)n2)C1	ZINC001022736952	680234530	/nfs/dbraw/zinc/23/45/30/680234530.db2.gz	KHLYLWYVDCMKEN-CNBXADPUSA-N	1	1	365.499	2.178	20	30		FEEDMO
C[C@@H]1CCO[C@@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccc(C#N)s1)C2	ZINC000982018872	680263253	/nfs/dbraw/zinc/26/32/53/680263253.db2.gz	LJAHIZOAQSTMGH-PBHICJAKSA-N	1	1	359.495	2.469	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCOCC2)C1	ZINC001023643106	680268430	/nfs/dbraw/zinc/26/84/30/680268430.db2.gz	OVXGGTMFGPUYKH-FHWLQOOXSA-N	1	1	350.503	2.222	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2cnsn2)C1	ZINC001024192496	680283616	/nfs/dbraw/zinc/28/36/16/680283616.db2.gz	SXIYMNNNTIZQRB-PVAVHDDUSA-N	1	1	364.515	2.238	20	30		FEEDMO
CCN(CC)S(=O)(=O)c1ccc(N=NC2C[N@H+](C(C)C)C[C@@H]2C)nc1	ZINC000754257306	680345962	/nfs/dbraw/zinc/34/59/62/680345962.db2.gz	HTQOEHVGTGHYNZ-AWEZNQCLSA-N	1	1	367.519	2.240	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2ccnn2C)CC1	ZINC000997230319	680349927	/nfs/dbraw/zinc/34/99/27/680349927.db2.gz	JUQNGIDXNXCVAT-FVQBIDKESA-N	1	1	350.894	2.493	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1	ZINC001028810052	680383252	/nfs/dbraw/zinc/38/32/52/680383252.db2.gz	VCHPKFWXZMMSDM-LXZKKBNFSA-N	1	1	350.409	2.494	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000754904592	680388013	/nfs/dbraw/zinc/38/80/13/680388013.db2.gz	YDQQSORHKYLFEP-OKZBNKHCSA-N	1	1	363.864	2.438	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000754904592	680388016	/nfs/dbraw/zinc/38/80/16/680388016.db2.gz	YDQQSORHKYLFEP-OKZBNKHCSA-N	1	1	363.864	2.438	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](C)C[C@@H]2CCCCO2)CC1	ZINC001029997756	680395741	/nfs/dbraw/zinc/39/57/41/680395741.db2.gz	CPMXSRPBYUWBFF-OTWHNJEPSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1csc(C)n1	ZINC001032676758	680415539	/nfs/dbraw/zinc/41/55/39/680415539.db2.gz	BZPORVXLMOZFST-XSLAGTTESA-N	1	1	361.511	2.260	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1csc(C)n1	ZINC001032676758	680415541	/nfs/dbraw/zinc/41/55/41/680415541.db2.gz	BZPORVXLMOZFST-XSLAGTTESA-N	1	1	361.511	2.260	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](c1ccccc1)N1CCSCC1	ZINC000755664983	680427448	/nfs/dbraw/zinc/42/74/48/680427448.db2.gz	ZLEZEZJVLHNWAI-RTBURBONSA-N	1	1	358.507	2.417	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[N@H+]([C@H](C)COC)C2)CC1	ZINC001035236685	680444671	/nfs/dbraw/zinc/44/46/71/680444671.db2.gz	BDIYBGLLWJIYFQ-SQNIBIBYSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1	ZINC001035370054	680445111	/nfs/dbraw/zinc/44/51/11/680445111.db2.gz	GCWYLFWXYIXFFJ-KURKYZTESA-N	1	1	350.503	2.221	20	30		FEEDMO
C=C(Br)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1	ZINC000985481474	680452260	/nfs/dbraw/zinc/45/22/60/680452260.db2.gz	QXOGIXSZBHZHNN-ZIAGYGMSSA-N	1	1	367.291	2.345	20	30		FEEDMO
C=C(Br)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1	ZINC000985481474	680452264	/nfs/dbraw/zinc/45/22/64/680452264.db2.gz	QXOGIXSZBHZHNN-ZIAGYGMSSA-N	1	1	367.291	2.345	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)COC	ZINC001039941299	680467964	/nfs/dbraw/zinc/46/79/64/680467964.db2.gz	KWHCWQVQZQUCRQ-OYSTVDSJSA-N	1	1	350.503	2.458	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	ZINC000756542379	680483806	/nfs/dbraw/zinc/48/38/06/680483806.db2.gz	IBYKKVLAEPKYSR-WMLDXEAASA-N	1	1	360.841	2.334	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1	ZINC000986129133	680496119	/nfs/dbraw/zinc/49/61/19/680496119.db2.gz	CGKHVVQGGGCWNW-PMPSAXMXSA-N	1	1	367.921	2.024	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)CCc1ccc(S(=O)(=O)CC)cc1	ZINC000757436039	680523956	/nfs/dbraw/zinc/52/39/56/680523956.db2.gz	WXLXNKGCWRMHAP-KRWDZBQOSA-N	1	1	363.479	2.054	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1	ZINC001004438354	680556566	/nfs/dbraw/zinc/55/65/66/680556566.db2.gz	OSUUMWKEZAYPJO-QRVBRYPASA-N	1	1	350.503	2.053	20	30		FEEDMO
Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](Nc2nc(Cl)c(C#N)s2)C1	ZINC001043404717	680580055	/nfs/dbraw/zinc/58/00/55/680580055.db2.gz	XYRANLMSHVJSPS-MWLCHTKSSA-N	1	1	364.862	2.132	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2C#N)[C@@H]1c1ccccc1	ZINC000758442319	680580414	/nfs/dbraw/zinc/58/04/14/680580414.db2.gz	RKCSUHADGOEIJB-AEFFLSMTSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2C#N)[C@@H]1c1ccccc1	ZINC000758442319	680580416	/nfs/dbraw/zinc/58/04/16/680580416.db2.gz	RKCSUHADGOEIJB-AEFFLSMTSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1	ZINC001043565696	680588095	/nfs/dbraw/zinc/58/80/95/680588095.db2.gz	XKMXBHBXEDJPKC-PRULPYPASA-N	1	1	367.906	2.267	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC2CCCCCC2)C[C@@H]1O	ZINC001047533593	680665374	/nfs/dbraw/zinc/66/53/74/680665374.db2.gz	YKHAZOMUCWPUAM-XWSJACJDSA-N	1	1	350.503	2.051	20	30		FEEDMO
Cc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1Cl	ZINC000766434057	680876662	/nfs/dbraw/zinc/87/66/62/680876662.db2.gz	VZPXXCVZDJYQAM-UHFFFAOYSA-N	1	1	354.907	2.169	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc([C@@H](C)n3cc(Br)cn3)no2)CC1	ZINC000843028038	680983523	/nfs/dbraw/zinc/98/35/23/680983523.db2.gz	HLHYKYVSZAERMT-LLVKDONJSA-N	1	1	364.247	2.451	20	30		FEEDMO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1	ZINC000843433171	681003873	/nfs/dbraw/zinc/00/38/73/681003873.db2.gz	VKIWXKRNWXBQQR-BLLLJJGKSA-N	1	1	355.360	2.478	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1cccc(Cl)c1)C[C@H](O)c1cccc(C#N)c1	ZINC000844365490	681054229	/nfs/dbraw/zinc/05/42/29/681054229.db2.gz	BWLFVFXEVOVFIE-SFHVURJKSA-N	1	1	357.841	2.493	20	30		FEEDMO
C[N@H+](CC(=O)NCc1cccc(Cl)c1)C[C@H](O)c1cccc(C#N)c1	ZINC000844365490	681054231	/nfs/dbraw/zinc/05/42/31/681054231.db2.gz	BWLFVFXEVOVFIE-SFHVURJKSA-N	1	1	357.841	2.493	20	30		FEEDMO
Cc1[nH+]ccn1CCOC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000771936616	681074813	/nfs/dbraw/zinc/07/48/13/681074813.db2.gz	JRAVUXLPFZJBQS-UHFFFAOYSA-N	1	1	361.423	2.126	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc3nc(Cl)cnc3c2)CC1	ZINC000772934497	681118730	/nfs/dbraw/zinc/11/87/30/681118730.db2.gz	ADAFKNGKTYMHJJ-UHFFFAOYSA-N	1	1	366.874	2.212	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCC1=NNCC(C)(C)S(C)(=O)=O	ZINC000774494281	681195289	/nfs/dbraw/zinc/19/52/89/681195289.db2.gz	ALCOKTWWJVFJPN-OAHLLOKOSA-N	1	1	351.516	2.297	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NNCC(C)(C)S(C)(=O)=O	ZINC000774494281	681195292	/nfs/dbraw/zinc/19/52/92/681195292.db2.gz	ALCOKTWWJVFJPN-OAHLLOKOSA-N	1	1	351.516	2.297	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C	ZINC000846228511	681204984	/nfs/dbraw/zinc/20/49/84/681204984.db2.gz	MQJIDFZHXJIJHR-JKSUJKDBSA-N	1	1	351.491	2.141	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C2)C1=O	ZINC000932709669	681293987	/nfs/dbraw/zinc/29/39/87/681293987.db2.gz	XIGYMMBREBGZCV-OAGGEKHMSA-N	1	1	351.491	2.256	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1)[C@H]1CCCO1	ZINC000775789234	681335384	/nfs/dbraw/zinc/33/53/84/681335384.db2.gz	LJPRZMFVWVHFAG-UHOFOFEASA-N	1	1	365.271	2.397	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)CCCCC#N)CC1	ZINC000847354268	681367747	/nfs/dbraw/zinc/36/77/47/681367747.db2.gz	YAKHDAWVOSNNJA-UHFFFAOYSA-N	1	1	352.479	2.129	20	30		FEEDMO
COCC#CC[N@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCOCC2	ZINC000933509063	681424436	/nfs/dbraw/zinc/42/44/36/681424436.db2.gz	GNVPZJAMGAMBES-UHFFFAOYSA-N	1	1	352.475	2.128	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1	ZINC000933756121	681464343	/nfs/dbraw/zinc/46/43/43/681464343.db2.gz	NTDLGISJYLLAEB-VCBZYWHSSA-N	1	1	361.511	2.239	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)CN(CC1CC1)C(=O)OC(C)(C)C	ZINC000777309650	681480942	/nfs/dbraw/zinc/48/09/42/681480942.db2.gz	CNDSHFRHPFKMIQ-MRXNPFEDSA-N	1	1	350.459	2.274	20	30		FEEDMO
C=CC[C@@H]1CC[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br	ZINC000934467514	681574870	/nfs/dbraw/zinc/57/48/70/681574870.db2.gz	RKMINNVJARALFT-GFCCVEGCSA-N	1	1	366.259	2.154	20	30		FEEDMO
C=CC[C@@H]1CC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br	ZINC000934467514	681574877	/nfs/dbraw/zinc/57/48/77/681574877.db2.gz	RKMINNVJARALFT-GFCCVEGCSA-N	1	1	366.259	2.154	20	30		FEEDMO
FC(F)(F)CC[NH+]1CCC(=NNC(=S)NCC(F)(F)F)CC1	ZINC000779771093	681751869	/nfs/dbraw/zinc/75/18/69/681751869.db2.gz	JFCIWKYBYIGYHQ-UHFFFAOYSA-N	1	1	350.332	2.417	20	30		FEEDMO
Cc1nn(-c2ccc(Br)cc2)cc1C=NNC1=[NH+]C[C@@H](C)N1	ZINC000779792878	681753223	/nfs/dbraw/zinc/75/32/23/681753223.db2.gz	VSWTXQXFFFVEPX-SNVBAGLBSA-N	1	1	361.247	2.214	20	30		FEEDMO
C[C@@H]1C[NH+]=C(NN=Cc2ccc(Br)c(Br)c2)N1	ZINC000779795510	681754103	/nfs/dbraw/zinc/75/41/03/681754103.db2.gz	VLLPPSPNMHXULS-SSDOTTSWSA-N	1	1	360.053	2.483	20	30		FEEDMO
CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)Cc1csc(C#N)c1	ZINC000914200803	685498578	/nfs/dbraw/zinc/49/85/78/685498578.db2.gz	QATHNLYEQYGGSW-HUUCEWRRSA-N	1	1	353.513	2.398	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)Cc1csc(C#N)c1	ZINC000914200803	685498579	/nfs/dbraw/zinc/49/85/79/685498579.db2.gz	QATHNLYEQYGGSW-HUUCEWRRSA-N	1	1	353.513	2.398	20	30		FEEDMO
C=C(Br)CNC(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000914418355	685507398	/nfs/dbraw/zinc/50/73/98/685507398.db2.gz	IHEANKDVRJAGMW-NYTXWWLZSA-N	1	1	374.323	2.064	20	30		FEEDMO
Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)CC(C)(C)C#N)C1	ZINC000915053756	685511570	/nfs/dbraw/zinc/51/15/70/685511570.db2.gz	YHUPRFZWMVFLLA-AWEZNQCLSA-N	1	1	370.544	2.085	20	30		FEEDMO
CCOc1ccc(/C=N/C[C@@]2([NH+]3CCOCC3)CCSC2)c(O)c1	ZINC000915113533	685512230	/nfs/dbraw/zinc/51/22/30/685512230.db2.gz	XYGGQNYDVWUYBZ-LPGQDOADSA-N	1	1	350.484	2.418	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000782755945	682080886	/nfs/dbraw/zinc/08/08/86/682080886.db2.gz	XSVAZXFJSLLHLS-KBPBESRZSA-N	1	1	354.376	2.163	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000782755945	682080894	/nfs/dbraw/zinc/08/08/94/682080894.db2.gz	XSVAZXFJSLLHLS-KBPBESRZSA-N	1	1	354.376	2.163	20	30		FEEDMO
C=CCn1c2nnc(SC[C@H]3CCC[N@@H+]3C)n2c2ccccc2c1=O	ZINC000915244219	685513575	/nfs/dbraw/zinc/51/35/75/685513575.db2.gz	RTGOOYGDTFZZTK-CYBMUJFWSA-N	1	1	355.467	2.417	20	30		FEEDMO
C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(N2CCCS2(=O)=O)c1	ZINC000783299504	682133292	/nfs/dbraw/zinc/13/32/92/682133292.db2.gz	CUANPZHJLCDKJN-CQSZACIVSA-N	1	1	356.451	2.344	20	30		FEEDMO
C#CCNC(=O)c1cccc(-c2noc(C[N@@H+](C)[C@@H]3CCSC3)n2)c1	ZINC000785585169	682310892	/nfs/dbraw/zinc/31/08/92/682310892.db2.gz	FXPPVSSUQJVNHR-OAHLLOKOSA-N	1	1	356.451	2.037	20	30		FEEDMO
C#CCNC(=O)c1cccc(-c2noc(C[N@H+](C)[C@@H]3CCSC3)n2)c1	ZINC000785585169	682310897	/nfs/dbraw/zinc/31/08/97/682310897.db2.gz	FXPPVSSUQJVNHR-OAHLLOKOSA-N	1	1	356.451	2.037	20	30		FEEDMO
C=C(Br)CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC000971567585	682361374	/nfs/dbraw/zinc/36/13/74/682361374.db2.gz	RFPQXVPQPHPZMO-QLFBSQMISA-N	1	1	358.324	2.158	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(OC)ns2)C1	ZINC000972523756	682418907	/nfs/dbraw/zinc/41/89/07/682418907.db2.gz	WHESZLOHKJGTFQ-KMFMINBZSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(OC)ns2)C1	ZINC000972523756	682418913	/nfs/dbraw/zinc/41/89/13/682418913.db2.gz	WHESZLOHKJGTFQ-KMFMINBZSA-N	1	1	365.499	2.166	20	30		FEEDMO
C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000853475808	682420292	/nfs/dbraw/zinc/42/02/92/682420292.db2.gz	WWVCDZLRAZDCTJ-JKSUJKDBSA-N	1	1	351.491	2.093	20	30		FEEDMO
C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C(=O)C(=O)N(CCc2cccs2)C1=O	ZINC000853599951	682440789	/nfs/dbraw/zinc/44/07/89/682440789.db2.gz	ZKUBFVMSGNTFRK-OKILXGFUSA-N	1	1	359.451	2.222	20	30		FEEDMO
C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)C(=O)N(CCc2cccs2)C1=O	ZINC000853599951	682440791	/nfs/dbraw/zinc/44/07/91/682440791.db2.gz	ZKUBFVMSGNTFRK-OKILXGFUSA-N	1	1	359.451	2.222	20	30		FEEDMO
CCCC[N@@H+](C)CC1CCN(Cn2nc(CC#N)n(C)c2=S)CC1	ZINC000794632354	682985517	/nfs/dbraw/zinc/98/55/17/682985517.db2.gz	PJFHXWHAGJSQRK-UHFFFAOYSA-N	1	1	350.536	2.419	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000860095764	683201363	/nfs/dbraw/zinc/20/13/63/683201363.db2.gz	FJBWYILLBWSPDW-GLJUWKHASA-N	1	1	354.495	2.274	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000860095764	683201367	/nfs/dbraw/zinc/20/13/67/683201367.db2.gz	FJBWYILLBWSPDW-GLJUWKHASA-N	1	1	354.495	2.274	20	30		FEEDMO
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000919860096	683303836	/nfs/dbraw/zinc/30/38/36/683303836.db2.gz	HSHOLVJDFSUADF-QWHCGFSZSA-N	1	1	373.400	2.434	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000919860096	683303839	/nfs/dbraw/zinc/30/38/39/683303839.db2.gz	HSHOLVJDFSUADF-QWHCGFSZSA-N	1	1	373.400	2.434	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1	ZINC000928092771	683381452	/nfs/dbraw/zinc/38/14/52/683381452.db2.gz	JNBRYXDOOVBAPB-IAGOWNOFSA-N	1	1	361.536	2.487	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc1	ZINC000928092771	683381456	/nfs/dbraw/zinc/38/14/56/683381456.db2.gz	JNBRYXDOOVBAPB-IAGOWNOFSA-N	1	1	361.536	2.487	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](CCC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000799119383	683423741	/nfs/dbraw/zinc/42/37/41/683423741.db2.gz	CVHWFSXXOSAHSW-HOTGVXAUSA-N	1	1	351.491	2.495	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](CCC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000799119388	683423801	/nfs/dbraw/zinc/42/38/01/683423801.db2.gz	CVHWFSXXOSAHSW-HZPDHXFCSA-N	1	1	351.491	2.495	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1=O	ZINC000799142452	683426914	/nfs/dbraw/zinc/42/69/14/683426914.db2.gz	SXSQKZKHWIBGBM-OAGGEKHMSA-N	1	1	351.491	2.399	20	30		FEEDMO
Brc1cc2c(c(C=NNCCC[NH+]3CCOCC3)c1)OCC2	ZINC000799488433	683460151	/nfs/dbraw/zinc/46/01/51/683460151.db2.gz	GVBXYPRDSPMSFC-UHFFFAOYSA-N	1	1	368.275	2.030	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F	ZINC000861838098	683483299	/nfs/dbraw/zinc/48/32/99/683483299.db2.gz	QGYPUDIIEVNSGM-GDBMZVCRSA-N	1	1	354.372	2.240	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C1	ZINC000929256682	683569292	/nfs/dbraw/zinc/56/92/92/683569292.db2.gz	HDBMLOBCSODKLR-MRXNPFEDSA-N	1	1	361.877	2.455	20	30		FEEDMO
C=CC1(CC(=O)NC[C@H]2CCC[N@@H+]2CC)CN(C(=O)OC(C)(C)C)C1	ZINC000929463608	683598879	/nfs/dbraw/zinc/59/88/79/683598879.db2.gz	XZNUJBPFSJFXSV-OAHLLOKOSA-N	1	1	351.491	2.400	20	30		FEEDMO
CS(=O)(=O)C1(C[NH2+]Cc2cc(C#N)ccc2Br)CCC1	ZINC000922075172	683653368	/nfs/dbraw/zinc/65/33/68/683653368.db2.gz	GHWMAYRTYXCOBN-UHFFFAOYSA-N	1	1	357.273	2.378	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNC(COC)COC)c1C	ZINC000863197107	683683810	/nfs/dbraw/zinc/68/38/10/683683810.db2.gz	HTZYFIUOBUZOMT-LJQANCHMSA-N	1	1	350.507	2.174	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1	ZINC000930495244	683742969	/nfs/dbraw/zinc/74/29/69/683742969.db2.gz	ACYBKSLUWPSKRE-INIZCTEOSA-N	1	1	361.511	2.469	20	30		FEEDMO
C#CC[C@@H](COC)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000863804858	683774816	/nfs/dbraw/zinc/77/48/16/683774816.db2.gz	KJJVTIMSIXJXBU-DLBZAZTESA-N	1	1	350.409	2.298	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@H]1C[N@H+](C[C@H](O)CC#N)CC[C@@H]1C(F)(F)F	ZINC000931177188	683846972	/nfs/dbraw/zinc/84/69/72/683846972.db2.gz	VCHBAWJFIBAWDQ-XQQFMLRXSA-N	1	1	365.396	2.286	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@H]1C[N@@H+](C[C@H](O)CC#N)CC[C@@H]1C(F)(F)F	ZINC000931177188	683846979	/nfs/dbraw/zinc/84/69/79/683846979.db2.gz	VCHBAWJFIBAWDQ-XQQFMLRXSA-N	1	1	365.396	2.286	20	30		FEEDMO
C[NH+]1CCN(c2ccc(NC(=O)[C@]3(C#N)CCCOC3)cc2Cl)CC1	ZINC000865077977	683932580	/nfs/dbraw/zinc/93/25/80/683932580.db2.gz	LESQOBJYNQWXEM-SFHVURJKSA-N	1	1	362.861	2.351	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2sccc2CC#N)CC1	ZINC000865078507	683932705	/nfs/dbraw/zinc/93/27/05/683932705.db2.gz	RATJQYRZHBBCPR-IYBDPMFKSA-N	1	1	360.527	2.445	20	30		FEEDMO
C=C(Cl)C[C@@H]1NC(=O)N([C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)C1=O	ZINC000865304422	683965002	/nfs/dbraw/zinc/96/50/02/683965002.db2.gz	VBKZHLNBWMMJGK-AEGPPILISA-N	1	1	357.882	2.186	20	30		FEEDMO
C=C(Cl)C[C@H]1NC(=O)N(C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1=O	ZINC000865307400	683965760	/nfs/dbraw/zinc/96/57/60/683965760.db2.gz	PDFARQGDVNQNFK-CQSZACIVSA-N	1	1	363.849	2.125	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[N@H+](C)C1	ZINC000865608559	684004644	/nfs/dbraw/zinc/00/46/44/684004644.db2.gz	KXMICNAUXVQVTH-KGLIPLIRSA-N	1	1	359.898	2.480	20	30		FEEDMO
C[NH+]1CCN(C2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)CC1	ZINC000866215214	684083707	/nfs/dbraw/zinc/08/37/07/684083707.db2.gz	WIPSVMMTJFCKFV-UHFFFAOYSA-N	1	1	353.392	2.188	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)c1	ZINC000931905389	684367711	/nfs/dbraw/zinc/36/77/11/684367711.db2.gz	FLXFDMMOECLENL-QGZVFWFLSA-N	1	1	362.495	2.040	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1	ZINC000867874121	684415907	/nfs/dbraw/zinc/41/59/07/684415907.db2.gz	YCCHDQSCSZIAJO-MJBXVCDLSA-N	1	1	357.882	2.042	20	30		FEEDMO
C=CCN1C(=O)N(CC[NH+]2CCSCC2)C(=O)[C@H]1Cc1ccccc1	ZINC000925283545	684546170	/nfs/dbraw/zinc/54/61/70/684546170.db2.gz	QMDSXZJFLJJXAE-QGZVFWFLSA-N	1	1	359.495	2.097	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Nc1cc2n(n1)CC[N@@H+](C)C2	ZINC000871928653	684884304	/nfs/dbraw/zinc/88/43/04/684884304.db2.gz	IHWCAHKDSSHELM-CQSZACIVSA-N	1	1	359.499	2.405	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	ZINC000876783839	686268409	/nfs/dbraw/zinc/26/84/09/686268409.db2.gz	OQMBDLABICLIGI-INIZCTEOSA-N	1	1	368.884	2.054	20	30		FEEDMO
CCNC(=O)COc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1	ZINC000876948908	686299916	/nfs/dbraw/zinc/29/99/16/686299916.db2.gz	MHFROSADYDCRGA-UHFFFAOYSA-N	1	1	358.829	2.411	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC[C@H](C(F)(F)F)O1	ZINC000880065218	686992006	/nfs/dbraw/zinc/99/20/06/686992006.db2.gz	RZLGYXDDEPJABV-HZSPNIEDSA-N	1	1	350.381	2.099	20	30		FEEDMO
COc1ccc(C[N@@H+](CCO)CCC(=O)Nc2sccc2C#N)cc1	ZINC000880569915	687060864	/nfs/dbraw/zinc/06/08/64/687060864.db2.gz	LIWHYZKAQXTLNX-UHFFFAOYSA-N	1	1	359.451	2.451	20	30		FEEDMO
C=C(C)CS(=O)(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2	ZINC000882790210	687490844	/nfs/dbraw/zinc/49/08/44/687490844.db2.gz	RNZGJJGYFPHEQX-MJGOQNOKSA-N	1	1	364.511	2.258	20	30		FEEDMO
C=C(C)CS(=O)(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2	ZINC000882790210	687490849	/nfs/dbraw/zinc/49/08/49/687490849.db2.gz	RNZGJJGYFPHEQX-MJGOQNOKSA-N	1	1	364.511	2.258	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(Br)cn2)C1	ZINC000884311233	687843880	/nfs/dbraw/zinc/84/38/80/687843880.db2.gz	VFCJETRFEAZSPO-TZMCWYRMSA-N	1	1	365.275	2.302	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)c2ccc(Br)cn2)C1	ZINC000884311233	687843886	/nfs/dbraw/zinc/84/38/86/687843886.db2.gz	VFCJETRFEAZSPO-TZMCWYRMSA-N	1	1	365.275	2.302	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)cc1	ZINC000885863700	688172539	/nfs/dbraw/zinc/17/25/39/688172539.db2.gz	UKGFUZGHMMMHGI-SFHVURJKSA-N	1	1	359.495	2.161	20	30		FEEDMO
C#CC[C@@H]1CC[N@H+](Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)C1	ZINC000886361580	688235519	/nfs/dbraw/zinc/23/55/19/688235519.db2.gz	NHQPQJOCLKRQFI-LLVKDONJSA-N	1	1	353.348	2.387	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	ZINC000887921412	688520259	/nfs/dbraw/zinc/52/02/59/688520259.db2.gz	GPLIQJDZMNCFKZ-GLJUWKHASA-N	1	1	371.909	2.432	20	30		FEEDMO
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888420835	688608862	/nfs/dbraw/zinc/60/88/62/688608862.db2.gz	OXCBHTBKUYQRAB-UHFFFAOYSA-N	1	1	357.867	2.243	20	30		FEEDMO
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888420835	688608864	/nfs/dbraw/zinc/60/88/64/688608864.db2.gz	OXCBHTBKUYQRAB-UHFFFAOYSA-N	1	1	357.867	2.243	20	30		FEEDMO
C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000891717299	689096677	/nfs/dbraw/zinc/09/66/77/689096677.db2.gz	COQKUZDAVJSKTF-HOCLYGCPSA-N	1	1	351.372	2.402	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@](C)(C#N)C2)[C@H]1c1cccs1	ZINC000893201066	689312989	/nfs/dbraw/zinc/31/29/89/689312989.db2.gz	VOQHNPXLTITIGW-UWWQBHOKSA-N	1	1	362.499	2.455	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1nc(C#N)cs1	ZINC000894231960	689491236	/nfs/dbraw/zinc/49/12/36/689491236.db2.gz	AOXKLFWLWMGWJO-CJNGLKHVSA-N	1	1	355.467	2.334	20	30		FEEDMO
N#C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1cccc(C(F)(F)F)c1	ZINC000900642018	690542412	/nfs/dbraw/zinc/54/24/12/690542412.db2.gz	CWXKURUAFMZCJW-CABCVRRESA-N	1	1	353.344	2.107	20	30		FEEDMO
N#C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccc(Cl)c(Cl)c1	ZINC000900643314	690542438	/nfs/dbraw/zinc/54/24/38/690542438.db2.gz	KPUWXTQKFQPYHE-WFASDCNBSA-N	1	1	354.237	2.395	20	30		FEEDMO
C[NH+]1CCN(c2ncc(C=[NH+][N-]c3c(F)cc(F)cc3F)cn2)CC1	ZINC000901321682	690635886	/nfs/dbraw/zinc/63/58/86/690635886.db2.gz	YFXGEDKJRWLIAA-UHFFFAOYSA-N	1	1	350.348	2.092	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@@H]21	ZINC001164673102	719448728	/nfs/dbraw/zinc/44/87/28/719448728.db2.gz	SJZWFFUAVVMNCP-VQTJNVASSA-N	1	1	364.449	2.246	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C#N)cc1C#N)C2	ZINC001164806381	720094367	/nfs/dbraw/zinc/09/43/67/720094367.db2.gz	BTZGDOYKFYYYIG-AZUAARDMSA-N	1	1	351.454	2.010	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(C#N)ccc1[N+](=O)[O-])C2	ZINC001164813782	720114305	/nfs/dbraw/zinc/11/43/05/720114305.db2.gz	QNERGRFHZBKGRW-DNVCBOLYSA-N	1	1	371.441	2.046	20	30		FEEDMO
Cc1ccnc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1C#N	ZINC001164814647	720212398	/nfs/dbraw/zinc/21/23/98/720212398.db2.gz	VRNCQBXQOWRNKC-UHFFFAOYSA-N	1	1	366.469	2.069	20	30		FEEDMO
C=CCOc1cc(C)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1	ZINC001164769908	721137562	/nfs/dbraw/zinc/13/75/62/721137562.db2.gz	PZLTUMGWYZNNGK-MSOLQXFVSA-N	1	1	368.485	2.042	20	30		FEEDMO
N#Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)c1	ZINC001164898172	721523558	/nfs/dbraw/zinc/52/35/58/721523558.db2.gz	IDBYGMBIOWKUBR-IEBWSBKVSA-N	1	1	363.396	2.306	20	30		FEEDMO
Cc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cnc1C#N	ZINC001164912377	721548239	/nfs/dbraw/zinc/54/82/39/721548239.db2.gz	ZJXHWTNLUGLBPD-DOTOQJQBSA-N	1	1	353.401	2.138	20	30		FEEDMO
N#Cc1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1F	ZINC001164980432	722117169	/nfs/dbraw/zinc/11/71/69/722117169.db2.gz	RECRPXRDMSGRFC-QZTJIDSGSA-N	1	1	367.428	2.215	20	30		FEEDMO
N#Cc1ccnc(NCC[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000532368954	887742960	/nfs/dbraw/zinc/74/29/60/887742960.db2.gz	MIQPOZREKNYGLE-UHFFFAOYSA-N	1	1	352.398	2.096	20	30		FEEDMO
CC[N@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1	ZINC000024672585	539737968	/nfs/dbraw/zinc/73/79/68/539737968.db2.gz	RATGJNGCYIPVSM-UHFFFAOYSA-N	1	1	370.453	2.227	20	30		FEEDMO
CC[N@@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1	ZINC000024672585	539737975	/nfs/dbraw/zinc/73/79/75/539737975.db2.gz	RATGJNGCYIPVSM-UHFFFAOYSA-N	1	1	370.453	2.227	20	30		FEEDMO
N#C[C@@H](c1ccccc1)N1CC[NH+](C[C@H](O)COc2ccccc2F)CC1	ZINC000025698419	539766674	/nfs/dbraw/zinc/76/66/74/539766674.db2.gz	AZPBUFCHANDTRO-ICSRJNTNSA-N	1	1	369.440	2.448	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1	ZINC000028322782	539830056	/nfs/dbraw/zinc/83/00/56/539830056.db2.gz	FBTCUPVSCXPDCA-OAHLLOKOSA-N	1	1	355.463	2.283	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1	ZINC000028322782	539830060	/nfs/dbraw/zinc/83/00/60/539830060.db2.gz	FBTCUPVSCXPDCA-OAHLLOKOSA-N	1	1	355.463	2.283	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CC[NH+](C)CC2)c1C#N	ZINC000028637016	539834302	/nfs/dbraw/zinc/83/43/02/539834302.db2.gz	GFAINAALWLYOPL-UHFFFAOYSA-N	1	1	369.444	2.291	20	30		FEEDMO
Cn1ccnc1[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1	ZINC000028656734	539835082	/nfs/dbraw/zinc/83/50/82/539835082.db2.gz	UFTNSLWYUJUCDW-ICSRJNTNSA-N	1	1	362.433	2.411	20	30		FEEDMO
O=C1Nc2cccc(C(F)(F)F)c2C1=NNC1=[NH+][C@@H]2CCCC[C@H]2N1	ZINC000800815449	674077898	/nfs/dbraw/zinc/07/78/98/674077898.db2.gz	ZFLUTZYJOHBOLU-NXEZZACHSA-N	1	1	351.332	2.222	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(N)cc(N)[nH+]2)cc1	ZINC000031821246	539921275	/nfs/dbraw/zinc/92/12/75/539921275.db2.gz	GMOCGGMXPLQBOZ-GFCCVEGCSA-N	1	1	356.455	2.377	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc(N)cc(N)[nH+]2)cc1	ZINC000031821250	539921363	/nfs/dbraw/zinc/92/13/63/539921363.db2.gz	GMOCGGMXPLQBOZ-LBPRGKRZSA-N	1	1	356.455	2.377	20	30		FEEDMO
Cc1noc(CCCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000041688840	540030513	/nfs/dbraw/zinc/03/05/13/540030513.db2.gz	SSTOTAPKNNHKAL-UHFFFAOYSA-N	1	1	367.453	2.307	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1	ZINC000041956614	540042067	/nfs/dbraw/zinc/04/20/67/540042067.db2.gz	FRKNINVGPXUXKT-OAHLLOKOSA-N	1	1	362.433	2.060	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1	ZINC000041956614	540042070	/nfs/dbraw/zinc/04/20/70/540042070.db2.gz	FRKNINVGPXUXKT-OAHLLOKOSA-N	1	1	362.433	2.060	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[N@@H+]1CCc2sccc2C1	ZINC000041965377	540042719	/nfs/dbraw/zinc/04/27/19/540042719.db2.gz	DGKZFEXYXZJCAN-CYBMUJFWSA-N	1	1	368.462	2.121	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1	ZINC000041965377	540042721	/nfs/dbraw/zinc/04/27/21/540042721.db2.gz	DGKZFEXYXZJCAN-CYBMUJFWSA-N	1	1	368.462	2.121	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)CCOC[C@H]3CCCO3)CC2)cc1	ZINC000076273806	542253391	/nfs/dbraw/zinc/25/33/91/542253391.db2.gz	KJQVAYKHCNTGDE-HXUWFJFHSA-N	1	1	371.481	2.178	20	30		FEEDMO
Cc1cc(NC(=O)CC[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)no1	ZINC000045521309	540215558	/nfs/dbraw/zinc/21/55/58/540215558.db2.gz	YVRSIHYYXCNUHE-QGZVFWFLSA-N	1	1	353.426	2.194	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1	ZINC000550470475	674097975	/nfs/dbraw/zinc/09/79/75/674097975.db2.gz	JKEKWIFLEYLDHF-LBPRGKRZSA-N	1	1	362.499	2.314	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccco1	ZINC000048733845	540372077	/nfs/dbraw/zinc/37/20/77/540372077.db2.gz	WVLBPCIIIOYAGJ-AWEZNQCLSA-N	1	1	360.801	2.162	20	30		FEEDMO
CCCCCNC(=O)C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000051801248	540444956	/nfs/dbraw/zinc/44/49/56/540444956.db2.gz	ZUILYVVADOYTKW-LJQANCHMSA-N	1	1	350.507	2.059	20	30		FEEDMO
CCCCN(C)C(=O)C1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000052186346	540457535	/nfs/dbraw/zinc/45/75/35/540457535.db2.gz	LWTLUMBWLPWZPA-IBGZPJMESA-N	1	1	350.507	2.011	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3sccc3C#N)cc2)CC1	ZINC000052032652	540452019	/nfs/dbraw/zinc/45/20/19/540452019.db2.gz	RLUCZSGOUZQAOM-UHFFFAOYSA-N	1	1	354.435	2.260	20	30		FEEDMO
C[C@@H]1CCCN(C(=O)C2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)C1	ZINC000052702080	540484328	/nfs/dbraw/zinc/48/43/28/540484328.db2.gz	PHRDUOSTUBMGQC-MRXNPFEDSA-N	1	1	368.481	2.467	20	30		FEEDMO
C=CC[NH+](CC=C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000052869352	540496516	/nfs/dbraw/zinc/49/65/16/540496516.db2.gz	COONMJDCHOFWGM-SFHVURJKSA-N	1	1	355.438	2.042	20	30		FEEDMO
COc1cccc(C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]2CCCO2)c1	ZINC000053229540	540518820	/nfs/dbraw/zinc/51/88/20/540518820.db2.gz	KQHOTRDOVHNWSO-FPOVZHCZSA-N	1	1	371.481	2.485	20	30		FEEDMO
COc1cccc(C[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C[C@@H]2CCCO2)c1	ZINC000053229540	540518823	/nfs/dbraw/zinc/51/88/23/540518823.db2.gz	KQHOTRDOVHNWSO-FPOVZHCZSA-N	1	1	371.481	2.485	20	30		FEEDMO
CC1CCN(C(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1	ZINC000054642485	540599792	/nfs/dbraw/zinc/59/97/92/540599792.db2.gz	UNJKUXXCKROHJJ-UHFFFAOYSA-N	1	1	354.498	2.324	20	30		FEEDMO
CC1CCN(C(=O)C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000054642485	540599798	/nfs/dbraw/zinc/59/97/98/540599798.db2.gz	UNJKUXXCKROHJJ-UHFFFAOYSA-N	1	1	354.498	2.324	20	30		FEEDMO
CC1CCN(C(=O)C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000054642485	540599802	/nfs/dbraw/zinc/59/98/02/540599802.db2.gz	UNJKUXXCKROHJJ-UHFFFAOYSA-N	1	1	354.498	2.324	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3(C#N)CCCCC3)cc2)CC1	ZINC000057397513	540793415	/nfs/dbraw/zinc/79/34/15/540793415.db2.gz	YTASKJMVHYFLAH-UHFFFAOYSA-N	1	1	368.481	2.416	20	30		FEEDMO
C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCOc1ccccc1C#N	ZINC000057843626	540818925	/nfs/dbraw/zinc/81/89/25/540818925.db2.gz	FVCPNAURPXXFHG-CQSZACIVSA-N	1	1	359.451	2.277	20	30		FEEDMO
CC[N@@H+](CCNC(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CC1	ZINC000066622921	541349048	/nfs/dbraw/zinc/34/90/48/541349048.db2.gz	SICZZNBAKRASCY-UHFFFAOYSA-N	1	1	356.470	2.314	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC	ZINC000067653562	541496184	/nfs/dbraw/zinc/49/61/84/541496184.db2.gz	AKRQNCZNIRMPEI-RBUKOAKNSA-N	1	1	360.498	2.488	20	30		FEEDMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000067684073	541498803	/nfs/dbraw/zinc/49/88/03/541498803.db2.gz	ARJTTZBBZYVWPD-FQEVSTJZSA-N	1	1	369.513	2.116	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000067715185	541504207	/nfs/dbraw/zinc/50/42/07/541504207.db2.gz	HRFDNFQYJRGVGY-QKLQHJQFSA-N	1	1	370.497	2.460	20	30		FEEDMO
Cc1ccccc1-n1nc(C(=O)NC2(C#N)CC[NH+](C)CC2)c2c1CCC2	ZINC000068541501	541606114	/nfs/dbraw/zinc/60/61/14/541606114.db2.gz	PFKNPTWVHROZDB-UHFFFAOYSA-N	1	1	363.465	2.387	20	30		FEEDMO
CC(=O)N(C)C1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1	ZINC000068576069	541611287	/nfs/dbraw/zinc/61/12/87/541611287.db2.gz	CDUKATYYCDEVIG-UHFFFAOYSA-N	1	1	370.497	2.493	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)CC1	ZINC000068813859	541631161	/nfs/dbraw/zinc/63/11/61/541631161.db2.gz	DBYUQXNFAVNRBR-LJQANCHMSA-N	1	1	361.449	2.271	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)CC1	ZINC000068813859	541631165	/nfs/dbraw/zinc/63/11/65/541631165.db2.gz	DBYUQXNFAVNRBR-LJQANCHMSA-N	1	1	361.449	2.271	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)N(CCOC)Cc2ccc(C#N)cc2)C1	ZINC000069591914	541698978	/nfs/dbraw/zinc/69/89/78/541698978.db2.gz	IIUFKWRQSYQIDQ-IBGZPJMESA-N	1	1	358.486	2.448	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2CN2CCCCC2)cc1	ZINC000069607946	541699490	/nfs/dbraw/zinc/69/94/90/541699490.db2.gz	ILZRPEGMRDAYCE-WOJBJXKFSA-N	1	1	357.498	2.443	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2CN2CCCCC2)cc1	ZINC000069607946	541699491	/nfs/dbraw/zinc/69/94/91/541699491.db2.gz	ILZRPEGMRDAYCE-WOJBJXKFSA-N	1	1	357.498	2.443	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1	ZINC000072581573	541835112	/nfs/dbraw/zinc/83/51/12/541835112.db2.gz	RRMZZHWBHYSIHV-HLIPFELVSA-N	1	1	370.497	2.460	20	30		FEEDMO
C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000075634444	542194182	/nfs/dbraw/zinc/19/41/82/542194182.db2.gz	ASORNTJYWVRDML-UHFFFAOYSA-N	1	1	368.481	2.353	20	30		FEEDMO
C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000075634444	542194187	/nfs/dbraw/zinc/19/41/87/542194187.db2.gz	ASORNTJYWVRDML-UHFFFAOYSA-N	1	1	368.481	2.353	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000075969175	542221816	/nfs/dbraw/zinc/22/18/16/542221816.db2.gz	NPQCOVYGDQVUSR-NHCUHLMSSA-N	1	1	374.525	2.342	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000077284385	542361966	/nfs/dbraw/zinc/36/19/66/542361966.db2.gz	VEZLPMRVRBZMCF-MRXNPFEDSA-N	1	1	359.470	2.131	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN1CCC([N@H+]2CCO[C@H](C)C2)CC1	ZINC000077284385	542361972	/nfs/dbraw/zinc/36/19/72/542361972.db2.gz	VEZLPMRVRBZMCF-MRXNPFEDSA-N	1	1	359.470	2.131	20	30		FEEDMO
CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(C(=O)N(C)C)cc1	ZINC000077383299	542375686	/nfs/dbraw/zinc/37/56/86/542375686.db2.gz	XGXOCHBWFQEKLN-FQEVSTJZSA-N	1	1	356.470	2.019	20	30		FEEDMO
CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccc(C(=O)N(C)C)cc1	ZINC000077383299	542375687	/nfs/dbraw/zinc/37/56/87/542375687.db2.gz	XGXOCHBWFQEKLN-FQEVSTJZSA-N	1	1	356.470	2.019	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccccc2)CC1	ZINC000078300579	542453325	/nfs/dbraw/zinc/45/33/25/542453325.db2.gz	LAFVTVIICWNIIV-IERDGZPVSA-N	1	1	370.497	2.324	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(c3ccc(C(=O)NC4CC4)cn3)CC2)cc1	ZINC000078426432	542461236	/nfs/dbraw/zinc/46/12/36/542461236.db2.gz	RUUAKNGSALEKNL-UHFFFAOYSA-N	1	1	361.449	2.168	20	30		FEEDMO
Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000080929291	542616465	/nfs/dbraw/zinc/61/64/65/542616465.db2.gz	PQADPEIGSZAJPM-UZLBHIALSA-N	1	1	371.485	2.095	20	30		FEEDMO
Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000080929291	542616468	/nfs/dbraw/zinc/61/64/68/542616468.db2.gz	PQADPEIGSZAJPM-UZLBHIALSA-N	1	1	371.485	2.095	20	30		FEEDMO
COCC[N@@H+](C)CC[C@@H](NC(=O)c1cc(C#N)cn1C)c1ccccc1	ZINC000081155234	542636816	/nfs/dbraw/zinc/63/68/16/542636816.db2.gz	BJZCMZSQRLGSBP-GOSISDBHSA-N	1	1	354.454	2.336	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](C[N@H+](C)CCC)C3)cc2C1=O	ZINC000081360977	542650572	/nfs/dbraw/zinc/65/05/72/542650572.db2.gz	RYPBQPIXVWKGKR-HNNXBMFYSA-N	1	1	369.465	2.273	20	30		FEEDMO
COc1cc(OC)cc([C@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)c1	ZINC000083403161	542696440	/nfs/dbraw/zinc/69/64/40/542696440.db2.gz	BPJZOFYGLVKFEI-XOBRGWDASA-N	1	1	357.454	2.302	20	30		FEEDMO
COc1cc(OC)cc([C@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)c1	ZINC000083403161	542696444	/nfs/dbraw/zinc/69/64/44/542696444.db2.gz	BPJZOFYGLVKFEI-XOBRGWDASA-N	1	1	357.454	2.302	20	30		FEEDMO
Cn1ncnc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000091186113	542797085	/nfs/dbraw/zinc/79/70/85/542797085.db2.gz	VYPRTJAIPBQYKB-IAGOWNOFSA-N	1	1	354.458	2.347	20	30		FEEDMO
CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1	ZINC000091897409	542831407	/nfs/dbraw/zinc/83/14/07/542831407.db2.gz	CVUHADXAWNOMNH-GOSISDBHSA-N	1	1	365.499	2.271	20	30		FEEDMO
CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1	ZINC000091897409	542831410	/nfs/dbraw/zinc/83/14/10/542831410.db2.gz	CVUHADXAWNOMNH-GOSISDBHSA-N	1	1	365.499	2.271	20	30		FEEDMO
CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000092618918	542875635	/nfs/dbraw/zinc/87/56/35/542875635.db2.gz	JCNMLZZZNZRZQG-KURKYZTESA-N	1	1	366.575	2.285	20	30		FEEDMO
COc1cccc([C@H](C)[NH+]2CCN(CCC(=O)N(C)CCC#N)CC2)c1	ZINC000092796131	542887002	/nfs/dbraw/zinc/88/70/02/542887002.db2.gz	RISGTPPQNHRDCK-KRWDZBQOSA-N	1	1	358.486	2.136	20	30		FEEDMO
C=C(C)C[N@@H+](CC)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000098068911	543019668	/nfs/dbraw/zinc/01/96/68/543019668.db2.gz	NNVVVMBAUFVEEH-UHFFFAOYSA-N	1	1	365.499	2.308	20	30		FEEDMO
C=C(C)C[N@H+](CC)CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000098068911	543019671	/nfs/dbraw/zinc/01/96/71/543019671.db2.gz	NNVVVMBAUFVEEH-UHFFFAOYSA-N	1	1	365.499	2.308	20	30		FEEDMO
C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000104074970	543122213	/nfs/dbraw/zinc/12/22/13/543122213.db2.gz	UPLRABOLOGAYLU-NEPJUHHUSA-N	1	1	360.483	2.023	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000105147089	543161473	/nfs/dbraw/zinc/16/14/73/543161473.db2.gz	GNZNJPFJUYRAED-UHFFFAOYSA-N	1	1	374.485	2.079	20	30		FEEDMO
C[C@H](CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)[N@@H+](C)C1CC1	ZINC000105264891	543167630	/nfs/dbraw/zinc/16/76/30/543167630.db2.gz	WEJDWVUDUOVMHF-CQSZACIVSA-N	1	1	359.449	2.012	20	30		FEEDMO
N#Cc1ccccc1N1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1	ZINC000109168140	543316958	/nfs/dbraw/zinc/31/69/58/543316958.db2.gz	IRQJLAPVQBCLAK-WMZOPIPTSA-N	1	1	367.497	2.311	20	30		FEEDMO
N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1	ZINC000109701027	543335160	/nfs/dbraw/zinc/33/51/60/543335160.db2.gz	ZAFBWRZNKVJBDV-SFHVURJKSA-N	1	1	368.481	2.201	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000113945180	543498972	/nfs/dbraw/zinc/49/89/72/543498972.db2.gz	JSUIYQZVRPECIZ-CVEARBPZSA-N	1	1	362.499	2.228	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)Cc1ccccc1	ZINC000114441313	543516397	/nfs/dbraw/zinc/51/63/97/543516397.db2.gz	YWCNCHRCJAGMGU-OAQYLSRUSA-N	1	1	362.477	2.355	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)Cc1ccccc1	ZINC000114441313	543516399	/nfs/dbraw/zinc/51/63/99/543516399.db2.gz	YWCNCHRCJAGMGU-OAQYLSRUSA-N	1	1	362.477	2.355	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccsc3)CC2)cc1	ZINC000115300498	543558832	/nfs/dbraw/zinc/55/88/32/543558832.db2.gz	HTRHRYCDAHVPRH-GOSISDBHSA-N	1	1	357.479	2.177	20	30		FEEDMO
C[C@H]1C[NH+](Cc2ccc(C(=O)NC3(C#N)CCOCC3)cc2)C[C@H](C)O1	ZINC000115464379	543569287	/nfs/dbraw/zinc/56/92/87/543569287.db2.gz	RJXFMTOSMMFGTC-HOTGVXAUSA-N	1	1	357.454	2.098	20	30		FEEDMO
CC[C@@H]1CN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC[N@H+]1CCOC	ZINC000117304181	543628995	/nfs/dbraw/zinc/62/89/95/543628995.db2.gz	CPYASPZASRGWMM-AHKGRUIUSA-N	1	1	357.454	2.171	20	30		FEEDMO
C#CCSCCNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC	ZINC000121469521	543695041	/nfs/dbraw/zinc/69/50/41/543695041.db2.gz	LAAOVOWSXBHCEX-SFHVURJKSA-N	1	1	360.527	2.444	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@@H](Cc2nccn2C)C1)C1(C#N)CCCCC1	ZINC000123577993	543770481	/nfs/dbraw/zinc/77/04/81/543770481.db2.gz	UQWZAAIWCFBINM-KRWDZBQOSA-N	1	1	357.502	2.359	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CC(C)(C)CN1CCOCC1	ZINC000124347033	543815856	/nfs/dbraw/zinc/81/58/56/543815856.db2.gz	XNAYAMWZIXNJQG-INIZCTEOSA-N	1	1	358.486	2.175	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000124347033	543815858	/nfs/dbraw/zinc/81/58/58/543815858.db2.gz	XNAYAMWZIXNJQG-INIZCTEOSA-N	1	1	358.486	2.175	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125475920	543883590	/nfs/dbraw/zinc/88/35/90/543883590.db2.gz	YKYGFMJOGXEOAY-NSHDSACASA-N	1	1	360.849	2.409	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)C1(C#N)CCCCC1	ZINC000125396496	543879253	/nfs/dbraw/zinc/87/92/53/543879253.db2.gz	BFSUZXKSZBMKDY-AEFFLSMTSA-N	1	1	372.513	2.147	20	30		FEEDMO
N#Cc1ccc([C@H](O)CN2CC[NH+](CCOc3ccccc3)CC2)cc1	ZINC000126959098	543965133	/nfs/dbraw/zinc/96/51/33/543965133.db2.gz	MTIIRADUJRGPQO-OAQYLSRUSA-N	1	1	351.450	2.288	20	30		FEEDMO
N#Cc1ccc([C@H](O)C[NH+]2CCN(CCOc3ccccc3)CC2)cc1	ZINC000126959098	543965135	/nfs/dbraw/zinc/96/51/35/543965135.db2.gz	MTIIRADUJRGPQO-OAQYLSRUSA-N	1	1	351.450	2.288	20	30		FEEDMO
C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CCN1CC(F)(F)F	ZINC000128025415	544028901	/nfs/dbraw/zinc/02/89/01/544028901.db2.gz	NZYQWHVWZCAJCK-ZDUSSCGKSA-N	1	1	354.376	2.455	20	30		FEEDMO
C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCN1CC(F)(F)F	ZINC000128025415	544028903	/nfs/dbraw/zinc/02/89/03/544028903.db2.gz	NZYQWHVWZCAJCK-ZDUSSCGKSA-N	1	1	354.376	2.455	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)Nc2ccc(Br)c(C)c2)CC1	ZINC000127368607	543989128	/nfs/dbraw/zinc/98/91/28/543989128.db2.gz	NTWADOQFXBARIT-UHFFFAOYSA-N	1	1	364.287	2.337	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[N@H+]1C1CC1	ZINC000130509480	544154017	/nfs/dbraw/zinc/15/40/17/544154017.db2.gz	DFBIPXYTBVWTFG-ILZDJORESA-N	1	1	367.497	2.031	20	30		FEEDMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000133916662	544287777	/nfs/dbraw/zinc/28/77/77/544287777.db2.gz	PGWBGJIPXVSUFI-HNNXBMFYSA-N	1	1	374.510	2.431	20	30		FEEDMO
N#Cc1ccccc1N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000137028467	544383338	/nfs/dbraw/zinc/38/33/38/544383338.db2.gz	VWXQOHYUDGOTSS-LJQANCHMSA-N	1	1	352.394	2.322	20	30		FEEDMO
CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000151933711	544597874	/nfs/dbraw/zinc/59/78/74/544597874.db2.gz	RTDOWNVWJGUPAD-GOSISDBHSA-N	1	1	356.470	2.466	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)CSc1nc(C)c(C)c(C)c1C#N	ZINC000152485032	544659663	/nfs/dbraw/zinc/65/96/63/544659663.db2.gz	YKCSAGOXUJKKBP-UHFFFAOYSA-N	1	1	364.515	2.055	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153325019	544761675	/nfs/dbraw/zinc/76/16/75/544761675.db2.gz	JIISHABZCXQJSJ-SNVBAGLBSA-N	1	1	362.384	2.033	20	30		FEEDMO
CCN(C(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N)C1CCCCC1	ZINC000153342266	544763682	/nfs/dbraw/zinc/76/36/82/544763682.db2.gz	MTPVHEVXJBPIPS-AWEZNQCLSA-N	1	1	360.506	2.298	20	30		FEEDMO
C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1	ZINC000185472875	327918242	/nfs/dbraw/zinc/91/82/42/327918242.db2.gz	DVBSRQLDKMMMGQ-CRAIPNDOSA-N	1	1	363.421	2.229	20	30		FEEDMO
N#Cc1c(F)cccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000187584816	328034572	/nfs/dbraw/zinc/03/45/72/328034572.db2.gz	AINRDODDPXVMPX-MRXNPFEDSA-N	1	1	353.397	2.194	20	30		FEEDMO
COC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)O1	ZINC000189402705	328145966	/nfs/dbraw/zinc/14/59/66/328145966.db2.gz	WQAUSQGIJJSALS-QWHCGFSZSA-N	1	1	363.483	2.173	20	30		FEEDMO
COC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H](C)O1	ZINC000189402705	328145967	/nfs/dbraw/zinc/14/59/67/328145967.db2.gz	WQAUSQGIJJSALS-QWHCGFSZSA-N	1	1	363.483	2.173	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCN(C)C(=O)C3)sc2C1	ZINC000191146484	328251594	/nfs/dbraw/zinc/25/15/94/328251594.db2.gz	KIOKRGZPCKPKJJ-CYBMUJFWSA-N	1	1	374.510	2.237	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCN(C)C(=O)C3)sc2C1	ZINC000191146484	328251595	/nfs/dbraw/zinc/25/15/95/328251595.db2.gz	KIOKRGZPCKPKJJ-CYBMUJFWSA-N	1	1	374.510	2.237	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000192982294	328350471	/nfs/dbraw/zinc/35/04/71/328350471.db2.gz	OLDHWGDUOBKWJU-SFHVURJKSA-N	1	1	355.463	2.359	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000193423629	328374614	/nfs/dbraw/zinc/37/46/14/328374614.db2.gz	TXMUTBDQQIJGHO-MRXNPFEDSA-N	1	1	359.474	2.014	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000078728681	325060058	/nfs/dbraw/zinc/06/00/58/325060058.db2.gz	UXNAKAWYJNKTIN-LJQANCHMSA-N	1	1	362.433	2.278	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1	ZINC000080286642	325127432	/nfs/dbraw/zinc/12/74/32/325127432.db2.gz	GSVLJBYDUAJHKR-UHFFFAOYSA-N	1	1	362.433	2.231	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(NC(=O)c3cc(C#N)cn3C)cc2)CC1	ZINC000081665257	325192230	/nfs/dbraw/zinc/19/22/30/325192230.db2.gz	FIIRCXIVTPRTMA-UHFFFAOYSA-N	1	1	351.454	2.287	20	30		FEEDMO
Cn1cc(C#N)cc1C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000081658998	325192412	/nfs/dbraw/zinc/19/24/12/325192412.db2.gz	AYAYJYIZNKWJKX-HXUWFJFHSA-N	1	1	365.481	2.005	20	30		FEEDMO
Cn1cc(C#N)cc1C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000081658998	325192415	/nfs/dbraw/zinc/19/24/15/325192415.db2.gz	AYAYJYIZNKWJKX-HXUWFJFHSA-N	1	1	365.481	2.005	20	30		FEEDMO
Cn1cc(C#N)cc1C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000081658998	325192418	/nfs/dbraw/zinc/19/24/18/325192418.db2.gz	AYAYJYIZNKWJKX-HXUWFJFHSA-N	1	1	365.481	2.005	20	30		FEEDMO
CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943648	325343571	/nfs/dbraw/zinc/34/35/71/325343571.db2.gz	IMVHFZRWODXVFE-QGZVFWFLSA-N	1	1	370.457	2.154	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c(C)c1C	ZINC000089942811	325343795	/nfs/dbraw/zinc/34/37/95/325343795.db2.gz	QCCNFFPHEXHBPS-UHFFFAOYSA-N	1	1	360.487	2.353	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@@H+]3CCN4C(=O)NC[C@H]4C3)c2)c1	ZINC000091865186	325396333	/nfs/dbraw/zinc/39/63/33/325396333.db2.gz	RWIIOVBPXSMPOI-IBGZPJMESA-N	1	1	362.433	2.347	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@H+]3CCN4C(=O)NC[C@H]4C3)c2)c1	ZINC000091865186	325396335	/nfs/dbraw/zinc/39/63/35/325396335.db2.gz	RWIIOVBPXSMPOI-IBGZPJMESA-N	1	1	362.433	2.347	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1	ZINC000119008697	326118115	/nfs/dbraw/zinc/11/81/15/326118115.db2.gz	PFIDMOWRRDDTES-HNNXBMFYSA-N	1	1	372.469	2.084	20	30		FEEDMO
CCC[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1CCOC	ZINC000121674527	326357298	/nfs/dbraw/zinc/35/72/98/326357298.db2.gz	OSMQCPFGIVTSPN-WOJBJXKFSA-N	1	1	370.497	2.096	20	30		FEEDMO
CCC[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000162723519	327032996	/nfs/dbraw/zinc/03/29/96/327032996.db2.gz	LAWRPELDQAURPQ-SFHVURJKSA-N	1	1	374.485	2.079	20	30		FEEDMO
N#Cc1ccc2ncc(CN3CC[NH+](CCOc4ccccc4)CC3)n2c1	ZINC000162848079	327036148	/nfs/dbraw/zinc/03/61/48/327036148.db2.gz	MQVLFGOXPOOFBN-UHFFFAOYSA-N	1	1	361.449	2.403	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000162963569	327039067	/nfs/dbraw/zinc/03/90/67/327039067.db2.gz	OUDOHIAYHVXFIV-IDHHARJASA-N	1	1	366.465	2.361	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000162963569	327039069	/nfs/dbraw/zinc/03/90/69/327039069.db2.gz	OUDOHIAYHVXFIV-IDHHARJASA-N	1	1	366.465	2.361	20	30		FEEDMO
CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)c1ccsc1	ZINC000170661807	327091828	/nfs/dbraw/zinc/09/18/28/327091828.db2.gz	DTQHINYEVIKPKP-MRXNPFEDSA-N	1	1	364.496	2.376	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCCCC1)C(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000171114006	327119020	/nfs/dbraw/zinc/11/90/20/327119020.db2.gz	UESDPVBOYKAIQB-UHFFFAOYSA-N	1	1	356.470	2.011	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000171224974	327125846	/nfs/dbraw/zinc/12/58/46/327125846.db2.gz	RKXFIAWYPWPJNX-CALCHBBNSA-N	1	1	355.482	2.449	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)C[C@H](C)O1	ZINC000264435898	329022932	/nfs/dbraw/zinc/02/29/32/329022932.db2.gz	DOECRNYRYGLWSM-OKILXGFUSA-N	1	1	359.430	2.187	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000266425215	329221624	/nfs/dbraw/zinc/22/16/24/329221624.db2.gz	VZOCUERGTODKBL-CYBMUJFWSA-N	1	1	356.348	2.419	20	30		FEEDMO
CC1(C)CN=C(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)S1	ZINC000266961849	329277244	/nfs/dbraw/zinc/27/72/44/329277244.db2.gz	WTIFMCPFVJFHHC-UHFFFAOYSA-N	1	1	371.510	2.386	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000267553927	329338003	/nfs/dbraw/zinc/33/80/03/329338003.db2.gz	KGWMCQNFOABFHN-KRWDZBQOSA-N	1	1	366.396	2.027	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CNC(=O)C2)CC1	ZINC000267842312	329362179	/nfs/dbraw/zinc/36/21/79/329362179.db2.gz	UTPFSWPUDHKACA-LBPRGKRZSA-N	1	1	360.845	2.141	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000269137441	329489462	/nfs/dbraw/zinc/48/94/62/329489462.db2.gz	XEACSYNUHVRWIZ-UHFFFAOYSA-N	1	1	359.817	2.252	20	30		FEEDMO
COCCOc1ccccc1C[NH+]1CCN(c2cc(C#N)ccn2)CC1	ZINC000271052249	329657457	/nfs/dbraw/zinc/65/74/57/329657457.db2.gz	WPJVNXTWIPAZRB-UHFFFAOYSA-N	1	1	352.438	2.301	20	30		FEEDMO
C=C(Cl)CNC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000805132996	674321629	/nfs/dbraw/zinc/32/16/29/674321629.db2.gz	VTMKPOSJPSULHN-SFHVURJKSA-N	1	1	362.905	2.341	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)c1ccc(Cl)cc1F	ZINC000805186375	674324944	/nfs/dbraw/zinc/32/49/44/674324944.db2.gz	GTQTVUNAUSIGHM-GUYCJALGSA-N	1	1	366.868	2.089	20	30		FEEDMO
COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)CCC(C)(C)C#N)cc1	ZINC000554908669	674341003	/nfs/dbraw/zinc/34/10/03/674341003.db2.gz	RVVZYMDWWSIUDI-MRXNPFEDSA-N	1	1	353.488	2.157	20	30		FEEDMO
CS[C@H](C)CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000328631669	525860256	/nfs/dbraw/zinc/86/02/56/525860256.db2.gz	RGJIWZSLJUKOKX-IJEWVQPXSA-N	1	1	353.536	2.400	20	30		FEEDMO
CCOc1ccccc1OCC[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000155591277	545546512	/nfs/dbraw/zinc/54/65/12/545546512.db2.gz	AUTJAAAJUDVLHN-INIZCTEOSA-N	1	1	367.453	2.336	20	30		FEEDMO
CCOc1ccccc1OCC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000155591277	545546516	/nfs/dbraw/zinc/54/65/16/545546516.db2.gz	AUTJAAAJUDVLHN-INIZCTEOSA-N	1	1	367.453	2.336	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000155606015	545548452	/nfs/dbraw/zinc/54/84/52/545548452.db2.gz	LRTMXHJYNPWGBT-RBUKOAKNSA-N	1	1	356.470	2.343	20	30		FEEDMO
CCc1ccc(C[NH+]2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)s1	ZINC000156801204	545662918	/nfs/dbraw/zinc/66/29/18/545662918.db2.gz	STKANBRUDURCBD-IBGZPJMESA-N	1	1	362.543	2.483	20	30		FEEDMO
CN(C)CC[NH+]1CCC(NC(=O)N[C@@H](CCC#N)c2ccccc2)CC1	ZINC000157447962	545742994	/nfs/dbraw/zinc/74/29/94/545742994.db2.gz	IBMAYQQRLMKJGB-IBGZPJMESA-N	1	1	357.502	2.357	20	30		FEEDMO
CCOC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1	ZINC000528725554	562344018	/nfs/dbraw/zinc/34/40/18/562344018.db2.gz	ZIOWIPKXVGGIRD-ZDUSSCGKSA-N	1	1	363.483	2.174	20	30		FEEDMO
CCOC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CCO1	ZINC000528725554	562344019	/nfs/dbraw/zinc/34/40/19/562344019.db2.gz	ZIOWIPKXVGGIRD-ZDUSSCGKSA-N	1	1	363.483	2.174	20	30		FEEDMO
N#Cc1cccc(/C=C/C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1	ZINC000159275502	545938991	/nfs/dbraw/zinc/93/89/91/545938991.db2.gz	BJGKSSVZTYCFEL-SHBDEGQCSA-N	1	1	361.445	2.107	20	30		FEEDMO
C[NH+]1CCN([C@@H](C(=O)N[C@@H](C#N)c2ccccc2F)c2ccccc2)CC1	ZINC000161288213	546117297	/nfs/dbraw/zinc/11/72/97/546117297.db2.gz	VKKGEWKENGSABP-VQTJNVASSA-N	1	1	366.440	2.495	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1	ZINC000163271202	546143961	/nfs/dbraw/zinc/14/39/61/546143961.db2.gz	UBSUIZFQDISZCU-OAHLLOKOSA-N	1	1	374.510	2.431	20	30		FEEDMO
C[C@@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCCO1	ZINC000170768186	546175596	/nfs/dbraw/zinc/17/55/96/546175596.db2.gz	JJLSKYWUIYIITC-CQSZACIVSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCCO1	ZINC000170768186	546175599	/nfs/dbraw/zinc/17/55/99/546175599.db2.gz	JJLSKYWUIYIITC-CQSZACIVSA-N	1	1	354.372	2.284	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1	ZINC000171536696	546212896	/nfs/dbraw/zinc/21/28/96/546212896.db2.gz	VEQXRFXFPIKFNN-UHFFFAOYSA-N	1	1	359.835	2.177	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1	ZINC000171704719	546219588	/nfs/dbraw/zinc/21/95/88/546219588.db2.gz	CHXQVTAKEKILAV-QZTJIDSGSA-N	1	1	372.513	2.382	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000174238180	546293989	/nfs/dbraw/zinc/29/39/89/546293989.db2.gz	SYMJPQHLRCWKFF-AYHJJNSGSA-N	1	1	357.502	2.478	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000174927261	546305341	/nfs/dbraw/zinc/30/53/41/546305341.db2.gz	AGIKSNAREPUWGJ-FQEVSTJZSA-N	1	1	353.510	2.312	20	30		FEEDMO
C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000174927261	546305344	/nfs/dbraw/zinc/30/53/44/546305344.db2.gz	AGIKSNAREPUWGJ-FQEVSTJZSA-N	1	1	353.510	2.312	20	30		FEEDMO
C#CCN1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000174927261	546305346	/nfs/dbraw/zinc/30/53/46/546305346.db2.gz	AGIKSNAREPUWGJ-FQEVSTJZSA-N	1	1	353.510	2.312	20	30		FEEDMO
CN(C(=O)c1ccc(NC(=O)c2cc(C#N)c[nH]2)cc1)[C@@H]1CCC[N@@H+](C)C1	ZINC000175834142	546358559	/nfs/dbraw/zinc/35/85/59/546358559.db2.gz	PLXQXGAMOUEABA-QGZVFWFLSA-N	1	1	365.437	2.305	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1	ZINC000175846891	546362031	/nfs/dbraw/zinc/36/20/31/546362031.db2.gz	DYBAYYPEAXGCIB-NVXWUHKLSA-N	1	1	370.478	2.285	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cccc(SCC#N)c1	ZINC000176026657	546391898	/nfs/dbraw/zinc/39/18/98/546391898.db2.gz	SRVCQIRCJFVMGM-UHFFFAOYSA-N	1	1	360.527	2.400	20	30		FEEDMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cccc(SCC#N)c1	ZINC000176026657	546391901	/nfs/dbraw/zinc/39/19/01/546391901.db2.gz	SRVCQIRCJFVMGM-UHFFFAOYSA-N	1	1	360.527	2.400	20	30		FEEDMO
COc1cccc(/C=N/c2cccc(CC(=O)N3CC[NH+](C)CC3)c2)c1O	ZINC000176321538	546431853	/nfs/dbraw/zinc/43/18/53/546431853.db2.gz	PHXHHYUQLXKAAR-PXLXIMEGSA-N	1	1	367.449	2.468	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)Cc1cccc(C#N)c1)Cc1ccc(F)cc1	ZINC000176916298	546507591	/nfs/dbraw/zinc/50/75/91/546507591.db2.gz	JEAMTWGUQRVTSU-UHFFFAOYSA-N	1	1	361.442	2.249	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)Cc1cccc(C#N)c1)Cc1ccc(F)cc1	ZINC000176916298	546507598	/nfs/dbraw/zinc/50/75/98/546507598.db2.gz	JEAMTWGUQRVTSU-UHFFFAOYSA-N	1	1	361.442	2.249	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1	ZINC000177064446	546536695	/nfs/dbraw/zinc/53/66/95/546536695.db2.gz	BBIYEVSACCACPG-GDBMZVCRSA-N	1	1	357.454	2.467	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C[N@H+]1C1CC1	ZINC000177146113	546554225	/nfs/dbraw/zinc/55/42/25/546554225.db2.gz	UAXZLZKGOCONPB-IRXDYDNUSA-N	1	1	368.481	2.455	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C[N@H+]1C1CC1	ZINC000177146099	546554705	/nfs/dbraw/zinc/55/47/05/546554705.db2.gz	UAXZLZKGOCONPB-SJORKVTESA-N	1	1	368.481	2.455	20	30		FEEDMO
CC1(O)CC[NH+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000177342405	546598132	/nfs/dbraw/zinc/59/81/32/546598132.db2.gz	RSZUEMIMZXFRAH-UHFFFAOYSA-N	1	1	354.372	2.020	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000177440735	546619040	/nfs/dbraw/zinc/61/90/40/546619040.db2.gz	OMSFWYWNMFZJLK-ADLMAVQZSA-N	1	1	361.467	2.320	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000177440735	546619044	/nfs/dbraw/zinc/61/90/44/546619044.db2.gz	OMSFWYWNMFZJLK-ADLMAVQZSA-N	1	1	361.467	2.320	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3ccc(C#N)cn3)CC2)C[C@H](C)O1	ZINC000178251711	546765016	/nfs/dbraw/zinc/76/50/16/546765016.db2.gz	WETUOEVKPSTCBB-IYBDPMFKSA-N	1	1	356.470	2.305	20	30		FEEDMO
C=C[C@H](CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1	ZINC000179302503	546927558	/nfs/dbraw/zinc/92/75/58/546927558.db2.gz	ACFKMIJDHZVMLA-MJGOQNOKSA-N	1	1	355.482	2.111	20	30		FEEDMO
CCC[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000179668838	546994796	/nfs/dbraw/zinc/99/47/96/546994796.db2.gz	NIQJDGJGOLCDGM-IBGZPJMESA-N	1	1	358.486	2.320	20	30		FEEDMO
CCC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCN1CCOC	ZINC000179668838	546994802	/nfs/dbraw/zinc/99/48/02/546994802.db2.gz	NIQJDGJGOLCDGM-IBGZPJMESA-N	1	1	358.486	2.320	20	30		FEEDMO
COc1ccc(C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)[C@H](CO)C(C)C)cc1	ZINC000179926756	547030386	/nfs/dbraw/zinc/03/03/86/547030386.db2.gz	AZWBHYKGOFQMNK-TZIWHRDSSA-N	1	1	373.497	2.323	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180192916	547065211	/nfs/dbraw/zinc/06/52/11/547065211.db2.gz	SILPMEPEIFVNEB-INIZCTEOSA-N	1	1	350.344	2.458	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000180396308	547100067	/nfs/dbraw/zinc/10/00/67/547100067.db2.gz	PAUMEUAHJNBFSI-KRWDZBQOSA-N	1	1	354.498	2.245	20	30		FEEDMO
Cc1nc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1C#N	ZINC000180872647	547199323	/nfs/dbraw/zinc/19/93/23/547199323.db2.gz	YQZKHBPSGZECPZ-IBGZPJMESA-N	1	1	364.449	2.148	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1	ZINC000181154593	547259538	/nfs/dbraw/zinc/25/95/38/547259538.db2.gz	CXOZJJIEISHIGF-CQSZACIVSA-N	1	1	355.442	2.063	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1	ZINC000181154593	547259541	/nfs/dbraw/zinc/25/95/41/547259541.db2.gz	CXOZJJIEISHIGF-CQSZACIVSA-N	1	1	355.442	2.063	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1	ZINC000181154593	547259545	/nfs/dbraw/zinc/25/95/45/547259545.db2.gz	CXOZJJIEISHIGF-CQSZACIVSA-N	1	1	355.442	2.063	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1	ZINC000181154593	547259548	/nfs/dbraw/zinc/25/95/48/547259548.db2.gz	CXOZJJIEISHIGF-CQSZACIVSA-N	1	1	355.442	2.063	20	30		FEEDMO
C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000181312686	547291628	/nfs/dbraw/zinc/29/16/28/547291628.db2.gz	TWIOJQUGJZMUET-UHFFFAOYSA-N	1	1	353.488	2.164	20	30		FEEDMO
C=C(C)C[N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000181312686	547291632	/nfs/dbraw/zinc/29/16/32/547291632.db2.gz	TWIOJQUGJZMUET-UHFFFAOYSA-N	1	1	353.488	2.164	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@@](C)(C(N)=O)C1	ZINC000483285624	561272960	/nfs/dbraw/zinc/27/29/60/561272960.db2.gz	OUFKLGUCHLJJDY-CWTRNNRKSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@@](C)(C(N)=O)C1	ZINC000483285624	561272961	/nfs/dbraw/zinc/27/29/61/561272961.db2.gz	OUFKLGUCHLJJDY-CWTRNNRKSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)CC1CCC1	ZINC000182777896	547551314	/nfs/dbraw/zinc/55/13/14/547551314.db2.gz	CWFCFCGPEQVZRH-IBGZPJMESA-N	1	1	358.461	2.266	20	30		FEEDMO
N#Cc1ccccc1-c1ccc(C[N@@H+](CCO)CCN2CCOCC2)cc1	ZINC000484424042	561297596	/nfs/dbraw/zinc/29/75/96/561297596.db2.gz	QNVOCMVPQMZRNW-UHFFFAOYSA-N	1	1	365.477	2.352	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCOCC4(CCOCC4)C3)o2)cc1	ZINC000184065859	547762766	/nfs/dbraw/zinc/76/27/66/547762766.db2.gz	UZBWFSWZIZJYDQ-UHFFFAOYSA-N	1	1	354.410	2.237	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3CCOCC4(CCOCC4)C3)o2)cc1	ZINC000184065859	547762771	/nfs/dbraw/zinc/76/27/71/547762771.db2.gz	UZBWFSWZIZJYDQ-UHFFFAOYSA-N	1	1	354.410	2.237	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccco1	ZINC000184604604	547853177	/nfs/dbraw/zinc/85/31/77/547853177.db2.gz	VZIQSGNOOCNBBW-HNNXBMFYSA-N	1	1	365.397	2.156	20	30		FEEDMO
C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1nnnn1-c1ccccc1	ZINC000184841854	547886300	/nfs/dbraw/zinc/88/63/00/547886300.db2.gz	YHGWRUIVOHZQGW-AWEZNQCLSA-N	1	1	361.409	2.213	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000185281723	547964885	/nfs/dbraw/zinc/96/48/85/547964885.db2.gz	WNVNJCFBSOWCFC-HIFRSBDPSA-N	1	1	353.875	2.316	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1)C1CC1	ZINC000186937522	548223623	/nfs/dbraw/zinc/22/36/23/548223623.db2.gz	SJSDSYHZWFALAX-IBGZPJMESA-N	1	1	359.445	2.004	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(-c2ccccc2)n1	ZINC000187537120	548260539	/nfs/dbraw/zinc/26/05/39/548260539.db2.gz	SQOAUVDHMSLSNF-FQEVSTJZSA-N	1	1	352.438	2.455	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c(-c2ccccc2)n1	ZINC000187537120	548260545	/nfs/dbraw/zinc/26/05/45/548260545.db2.gz	SQOAUVDHMSLSNF-FQEVSTJZSA-N	1	1	352.438	2.455	20	30		FEEDMO
C=CCC1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1	ZINC000190827397	548334870	/nfs/dbraw/zinc/33/48/70/548334870.db2.gz	ONVPFQFLYKDQCG-UHFFFAOYSA-N	1	1	355.482	2.193	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccc1OCC#N	ZINC000195093824	548576317	/nfs/dbraw/zinc/57/63/17/548576317.db2.gz	AFILKEVAQBUMSL-DBWMJRBXSA-N	1	1	355.438	2.307	20	30		FEEDMO
N#Cc1ccc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1	ZINC000245543834	548943354	/nfs/dbraw/zinc/94/33/54/548943354.db2.gz	ATBROEMLPOMBQF-RBUKOAKNSA-N	1	1	350.422	2.315	20	30		FEEDMO
COCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000245820624	548998614	/nfs/dbraw/zinc/99/86/14/548998614.db2.gz	DWKSHOAFWIQOFJ-IEBWSBKVSA-N	1	1	359.470	2.449	20	30		FEEDMO
COCCO[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000245820624	548998620	/nfs/dbraw/zinc/99/86/20/548998620.db2.gz	DWKSHOAFWIQOFJ-IEBWSBKVSA-N	1	1	359.470	2.449	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1	ZINC000245970672	549029626	/nfs/dbraw/zinc/02/96/26/549029626.db2.gz	FLSJFAHDOGXALV-DLBZAZTESA-N	1	1	364.534	2.363	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1	ZINC000245970672	549029627	/nfs/dbraw/zinc/02/96/27/549029627.db2.gz	FLSJFAHDOGXALV-DLBZAZTESA-N	1	1	364.534	2.363	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000246058221	549043544	/nfs/dbraw/zinc/04/35/44/549043544.db2.gz	BFGJKFOJBHHBGL-CAZWYBIWSA-N	1	1	362.518	2.106	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000246110744	549054192	/nfs/dbraw/zinc/05/41/92/549054192.db2.gz	JJJVOZWALGWZKG-GDBMZVCRSA-N	1	1	364.453	2.303	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000246110744	549054194	/nfs/dbraw/zinc/05/41/94/549054194.db2.gz	JJJVOZWALGWZKG-GDBMZVCRSA-N	1	1	364.453	2.303	20	30		FEEDMO
CCN(C[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1)CC(F)(F)F	ZINC000246201683	549075830	/nfs/dbraw/zinc/07/58/30/549075830.db2.gz	MSZDXOQEAIBIFW-GOEBONIOSA-N	1	1	362.440	2.247	20	30		FEEDMO
CCN(C[C@@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000488703363	561394894	/nfs/dbraw/zinc/39/48/94/561394894.db2.gz	VGMIDFKJPYZXJN-ROUUACIJSA-N	1	1	372.513	2.005	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1	ZINC000246950084	549249514	/nfs/dbraw/zinc/24/95/14/549249514.db2.gz	FNMGIMPKNIUMIU-DLBZAZTESA-N	1	1	353.470	2.498	20	30		FEEDMO
C=CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000246989364	549259201	/nfs/dbraw/zinc/25/92/01/549259201.db2.gz	GBKLAPIIQKWUCG-OAGGEKHMSA-N	1	1	359.470	2.315	20	30		FEEDMO
C=CC[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000246989364	549259203	/nfs/dbraw/zinc/25/92/03/549259203.db2.gz	GBKLAPIIQKWUCG-OAGGEKHMSA-N	1	1	359.470	2.315	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)CCC[C@H]3C)CC2)o1	ZINC000246999551	549261632	/nfs/dbraw/zinc/26/16/32/549261632.db2.gz	TVBUDMAUFQQEBP-HUUCEWRRSA-N	1	1	359.474	2.014	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000247318867	549318188	/nfs/dbraw/zinc/31/81/88/549318188.db2.gz	WWRDHAMQQFVXAS-LPHOPBHVSA-N	1	1	358.486	2.494	20	30		FEEDMO
CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000247356882	549323654	/nfs/dbraw/zinc/32/36/54/549323654.db2.gz	OIABUYZZYPYFAX-FUHWJXTLSA-N	1	1	355.486	2.119	20	30		FEEDMO
Cc1ccc([C@H](CNS(=O)(=O)c2cnc(C)c(C#N)c2)[NH+]2CCCC2)o1	ZINC000489200592	561405514	/nfs/dbraw/zinc/40/55/14/561405514.db2.gz	LWRURQOBDMCDAC-KRWDZBQOSA-N	1	1	374.466	2.279	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(Cc2ccc(C#N)cc2Br)[C@H](C)C1	ZINC000248637936	549474178	/nfs/dbraw/zinc/47/41/78/549474178.db2.gz	APWLOKMAAMIHFI-OLZOCXBDSA-N	1	1	352.276	2.208	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(Cc2cc(C#N)ccc2Br)C[C@H]1C	ZINC000249053466	549543879	/nfs/dbraw/zinc/54/38/79/549543879.db2.gz	ONPKKEJUHBQUJV-OLZOCXBDSA-N	1	1	352.276	2.208	20	30		FEEDMO
Cn1cc(C[NH2+]CCCN2CCN(C)C[C@H]2c2ccccc2)cc1C#N	ZINC000249615737	549612323	/nfs/dbraw/zinc/61/23/23/549612323.db2.gz	PEYXJMZAWGJSBS-NRFANRHFSA-N	1	1	351.498	2.365	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000249841441	549632647	/nfs/dbraw/zinc/63/26/47/549632647.db2.gz	ZOEADNSSCYPLRA-OUBFZGACSA-N	1	1	362.518	2.154	20	30		FEEDMO
C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N[C@H]1CN(C2CC2)C[C@H]1C	ZINC000261937883	549771759	/nfs/dbraw/zinc/77/17/59/549771759.db2.gz	CXTMPBOQQRLEOP-KDOFPFPSSA-N	1	1	352.486	2.224	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCC#Cc2ccccc2)C[C@H](C)O1	ZINC000264286854	549993677	/nfs/dbraw/zinc/99/36/77/549993677.db2.gz	TXMCCJMPQRSGGW-WSTZPKSXSA-N	1	1	355.482	2.321	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCC#Cc2ccccc2)C[C@H](C)O1	ZINC000264286854	549993681	/nfs/dbraw/zinc/99/36/81/549993681.db2.gz	TXMCCJMPQRSGGW-WSTZPKSXSA-N	1	1	355.482	2.321	20	30		FEEDMO
C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(OCC#N)cc1	ZINC000264580956	549998589	/nfs/dbraw/zinc/99/85/89/549998589.db2.gz	VGWCKZGVPMUUHT-AWEZNQCLSA-N	1	1	359.451	2.429	20	30		FEEDMO
CCC(=O)N[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000491077012	561442535	/nfs/dbraw/zinc/44/25/35/561442535.db2.gz	KWXXROPYWDTDBV-SFHVURJKSA-N	1	1	351.454	2.449	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN2CC[C@H](C[N@H+](C)CC)C2)c(OC)c1	ZINC000266642819	550022581	/nfs/dbraw/zinc/02/25/81/550022581.db2.gz	UZHGNWOWFILPEC-RTBURBONSA-N	1	1	362.514	2.437	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)nc1	ZINC000267422846	550030877	/nfs/dbraw/zinc/03/08/77/550030877.db2.gz	UZONSYKVJDOKBJ-UHFFFAOYSA-N	1	1	366.469	2.485	20	30		FEEDMO
C=CC[N@H+](CCc1ccco1)C[C@@H](O)Cn1c(=O)onc1-c1ccccc1	ZINC000491331309	561444737	/nfs/dbraw/zinc/44/47/37/561444737.db2.gz	XNHBUFCGFSCEOE-QGZVFWFLSA-N	1	1	369.421	2.188	20	30		FEEDMO
C[C@H](c1cccc(NCC(=O)N(CCC#N)CCC#N)c1)[NH+]1CCOCC1	ZINC000268498785	550076607	/nfs/dbraw/zinc/07/66/07/550076607.db2.gz	XBALEUOHKQHLTK-QGZVFWFLSA-N	1	1	369.469	2.148	20	30		FEEDMO
C[C@@H](c1cccc(NCC(=O)N(CCC#N)CCC#N)c1)[NH+]1CCOCC1	ZINC000268498783	550076654	/nfs/dbraw/zinc/07/66/54/550076654.db2.gz	XBALEUOHKQHLTK-KRWDZBQOSA-N	1	1	369.469	2.148	20	30		FEEDMO
COCCOc1ccc(CNC(=O)CO[NH+]=C(N)CCC(C)C)cc1	ZINC000268611106	550094019	/nfs/dbraw/zinc/09/40/19/550094019.db2.gz	IHQMRSZKHDCCNH-UHFFFAOYSA-N	1	1	351.447	2.053	20	30		FEEDMO
C[N@@H+](CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1	ZINC000492268619	561450559	/nfs/dbraw/zinc/45/05/59/561450559.db2.gz	KEZKERYKVRLERZ-HNNXBMFYSA-N	1	1	359.449	2.060	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCc1ccsc12	ZINC000492602042	561451956	/nfs/dbraw/zinc/45/19/56/561451956.db2.gz	NNCVNGPEHVNVPV-CYBMUJFWSA-N	1	1	363.483	2.012	20	30		FEEDMO
C#CCOc1ccccc1CNC(=O)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000269957325	550239266	/nfs/dbraw/zinc/23/92/66/550239266.db2.gz	ZPBBSIYUZAMXLN-UHFFFAOYSA-N	1	1	373.497	2.198	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21	ZINC000270548363	550282499	/nfs/dbraw/zinc/28/24/99/550282499.db2.gz	YMJFKDLKLJWGRB-KRWDZBQOSA-N	1	1	364.453	2.157	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCO1	ZINC000271269483	550359544	/nfs/dbraw/zinc/35/95/44/550359544.db2.gz	MEEZGBLPZKMGOF-LPHOPBHVSA-N	1	1	356.470	2.343	20	30		FEEDMO
C#CCOc1ccccc1C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1	ZINC000271455660	550376507	/nfs/dbraw/zinc/37/65/07/550376507.db2.gz	JCJCPOAEGPVWQB-OAHLLOKOSA-N	1	1	358.463	2.458	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1	ZINC000494330449	561467441	/nfs/dbraw/zinc/46/74/41/561467441.db2.gz	OQVOKNIKVJFRSJ-NHCUHLMSSA-N	1	1	371.525	2.422	20	30		FEEDMO
CC1(C#N)CC[NH+](CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1	ZINC000272546585	550457359	/nfs/dbraw/zinc/45/73/59/550457359.db2.gz	KEJMLYLQRIMZMJ-UHFFFAOYSA-N	1	1	354.454	2.055	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)CC1	ZINC000272655606	550463323	/nfs/dbraw/zinc/46/33/23/550463323.db2.gz	NQYXBEGJAXXHHL-IBGZPJMESA-N	1	1	366.465	2.456	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)c1ccc(F)c(C#N)c1)CCC(F)(F)F	ZINC000494432176	561469694	/nfs/dbraw/zinc/46/96/94/561469694.db2.gz	SKFSWGQEVZGPSR-UHFFFAOYSA-N	1	1	367.368	2.250	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1ccc(F)c(C#N)c1)CCC(F)(F)F	ZINC000494432176	561469695	/nfs/dbraw/zinc/46/96/95/561469695.db2.gz	SKFSWGQEVZGPSR-UHFFFAOYSA-N	1	1	367.368	2.250	20	30		FEEDMO
C=CCOCCCc1nc(-c2ccccc2C[N@H+]2CCC[C@H]2C(N)=O)no1	ZINC000273795991	550511640	/nfs/dbraw/zinc/51/16/40/550511640.db2.gz	HEXKIWUUHAHYGK-KRWDZBQOSA-N	1	1	370.453	2.322	20	30		FEEDMO
C=CCOCCCc1nc(-c2ccccc2C[N@@H+]2CCC[C@H]2C(N)=O)no1	ZINC000273795991	550511641	/nfs/dbraw/zinc/51/16/41/550511641.db2.gz	HEXKIWUUHAHYGK-KRWDZBQOSA-N	1	1	370.453	2.322	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CCSC)c1nnc2ccccn21	ZINC000274096552	550522969	/nfs/dbraw/zinc/52/29/69/550522969.db2.gz	ULJJEXOCPDWFSA-GJZGRUSLSA-N	1	1	374.514	2.121	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C	ZINC000274706764	550550135	/nfs/dbraw/zinc/55/01/35/550550135.db2.gz	RXXANIFHHHOUTC-QGZVFWFLSA-N	1	1	371.481	2.408	20	30		FEEDMO
C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000275734609	550574125	/nfs/dbraw/zinc/57/41/25/550574125.db2.gz	VGJOAWPIHZHPSM-HOTGVXAUSA-N	1	1	356.470	2.475	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2	ZINC000276041937	550576265	/nfs/dbraw/zinc/57/62/65/550576265.db2.gz	WYKJXBOZDOHDHX-UHFFFAOYSA-N	1	1	353.422	2.421	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2	ZINC000276041937	550576267	/nfs/dbraw/zinc/57/62/67/550576267.db2.gz	WYKJXBOZDOHDHX-UHFFFAOYSA-N	1	1	353.422	2.421	20	30		FEEDMO
C=CCN(C(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)C1CC1	ZINC000276252480	550577475	/nfs/dbraw/zinc/57/74/75/550577475.db2.gz	ZGENQWFCUANXIQ-HNNXBMFYSA-N	1	1	357.454	2.195	20	30		FEEDMO
C[C@H]1COCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000277516770	550679920	/nfs/dbraw/zinc/67/99/20/550679920.db2.gz	OXHLAQSWMUREMO-LPHOPBHVSA-N	1	1	356.470	2.201	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000277626610	550693784	/nfs/dbraw/zinc/69/37/84/550693784.db2.gz	ZMZBRHAGNHPFAL-GDBMZVCRSA-N	1	1	370.453	2.049	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc(CC(=O)N(CC)c3ccccc3)no2)CC1	ZINC000278158605	550755687	/nfs/dbraw/zinc/75/56/87/550755687.db2.gz	JYDZSBMGPGPMOB-UHFFFAOYSA-N	1	1	352.438	2.478	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000280127559	550963519	/nfs/dbraw/zinc/96/35/19/550963519.db2.gz	MJKVZEMFPCICQQ-INIZCTEOSA-N	1	1	373.501	2.261	20	30		FEEDMO
CC1(C)C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1	ZINC000280318421	550980200	/nfs/dbraw/zinc/98/02/00/550980200.db2.gz	GXDGAVDCUNFPTG-RXVVDRJESA-N	1	1	369.465	2.324	20	30		FEEDMO
CC1(C)C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1	ZINC000280318421	550980202	/nfs/dbraw/zinc/98/02/02/550980202.db2.gz	GXDGAVDCUNFPTG-RXVVDRJESA-N	1	1	369.465	2.324	20	30		FEEDMO
N#Cc1ccc(CNC(=O)CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1	ZINC000280455397	550995989	/nfs/dbraw/zinc/99/59/89/550995989.db2.gz	NYXJFJDHDFCHAT-SZPZYZBQSA-N	1	1	374.488	2.238	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F	ZINC000280512747	551002354	/nfs/dbraw/zinc/00/23/54/551002354.db2.gz	NQYRCBICOWPZAR-CQSZACIVSA-N	1	1	358.360	2.409	20	30		FEEDMO
C=CCCCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000280578230	551009654	/nfs/dbraw/zinc/00/96/54/551009654.db2.gz	WMBQQDSUHZJWLE-HZPDHXFCSA-N	1	1	359.470	2.317	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000281078314	551061095	/nfs/dbraw/zinc/06/10/95/551061095.db2.gz	JAMCEPZQNKEQRC-FQEVSTJZSA-N	1	1	351.454	2.422	20	30		FEEDMO
Cc1c(C#N)cccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C	ZINC000497585198	561504331	/nfs/dbraw/zinc/50/43/31/561504331.db2.gz	MRWNEDVMLNEARZ-QFBILLFUSA-N	1	1	351.454	2.413	20	30		FEEDMO
CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)[C@H](C)CC#N)c1ccsc1	ZINC000283119268	551314517	/nfs/dbraw/zinc/31/45/17/551314517.db2.gz	YSCAXNNQCVTJBC-UKRRQHHQSA-N	1	1	358.533	2.199	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c(F)c1	ZINC000283403965	551360817	/nfs/dbraw/zinc/36/08/17/551360817.db2.gz	WRCMMEDYMMVUKJ-LRDDRELGSA-N	1	1	363.408	2.073	20	30		FEEDMO
C[N@H+]1CC[C@H]2OCCN(Cc3cn(CCC#N)nc3-c3ccccc3)[C@@H]2C1	ZINC000284459117	551553662	/nfs/dbraw/zinc/55/36/62/551553662.db2.gz	AHKHPRQSWIXUIP-WOJBJXKFSA-N	1	1	365.481	2.369	20	30		FEEDMO
C[NH+](C)CCN1CCC(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1	ZINC000285578518	551777726	/nfs/dbraw/zinc/77/77/26/551777726.db2.gz	OGSHNNKMJYIDJH-UHFFFAOYSA-N	1	1	374.504	2.365	20	30		FEEDMO
C[C@](C#N)(NC(=O)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CC1	ZINC000285679857	551794297	/nfs/dbraw/zinc/79/42/97/551794297.db2.gz	USZLFHIACLNYHB-YADHBBJMSA-N	1	1	366.509	2.393	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCCn1cc[nH+]c1C	ZINC000285989190	551835316	/nfs/dbraw/zinc/83/53/16/551835316.db2.gz	SPZCVSYEZOVXHE-UHFFFAOYSA-N	1	1	366.874	2.237	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)N3CCC(F)(C#N)CC3)CC2)nc(C)[nH+]1	ZINC000499112125	561543737	/nfs/dbraw/zinc/54/37/37/561543737.db2.gz	QPVYXYDZHIARMZ-UHFFFAOYSA-N	1	1	360.437	2.100	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286631838	551908638	/nfs/dbraw/zinc/90/86/38/551908638.db2.gz	ZKUPREHKJLLGPH-RHSMWYFYSA-N	1	1	369.444	2.481	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1	ZINC000287469416	552008250	/nfs/dbraw/zinc/00/82/50/552008250.db2.gz	RRSPSJDLYKZZLK-HNNXBMFYSA-N	1	1	372.494	2.185	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1	ZINC000287469416	552008252	/nfs/dbraw/zinc/00/82/52/552008252.db2.gz	RRSPSJDLYKZZLK-HNNXBMFYSA-N	1	1	372.494	2.185	20	30		FEEDMO
C=CCCCCNC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289244375	552288334	/nfs/dbraw/zinc/28/83/34/552288334.db2.gz	VCXSMLKVYRUXTF-HKUYNNGSSA-N	1	1	357.498	2.486	20	30		FEEDMO
COC(=O)C[C@H](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000289288810	552295606	/nfs/dbraw/zinc/29/56/06/552295606.db2.gz	GXVKJYKLPOVBHH-MRXNPFEDSA-N	1	1	357.454	2.182	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1	ZINC000290325586	552460461	/nfs/dbraw/zinc/46/04/61/552460461.db2.gz	WATZJWSWEJMKKQ-CQSZACIVSA-N	1	1	360.433	2.264	20	30		FEEDMO
CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000290563862	552498720	/nfs/dbraw/zinc/49/87/20/552498720.db2.gz	YVOZWMPZMJAWGA-GFCCVEGCSA-N	1	1	350.850	2.387	20	30		FEEDMO
COc1ccc([C@H](O)C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1	ZINC000291666669	552648839	/nfs/dbraw/zinc/64/88/39/552648839.db2.gz	GDHOQAWFHOBSHH-LEWJYISDSA-N	1	1	371.481	2.249	20	30		FEEDMO
C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292047934	552687945	/nfs/dbraw/zinc/68/79/45/552687945.db2.gz	BBAANBFNGPZCHW-KDOFPFPSSA-N	1	1	368.412	2.250	20	30		FEEDMO
C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292047934	552687947	/nfs/dbraw/zinc/68/79/47/552687947.db2.gz	BBAANBFNGPZCHW-KDOFPFPSSA-N	1	1	368.412	2.250	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1	ZINC000292048363	552688252	/nfs/dbraw/zinc/68/82/52/552688252.db2.gz	AQUJZVONZCZWPG-OXJNMPFZSA-N	1	1	356.445	2.078	20	30		FEEDMO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1(CO)CCC1	ZINC000292048827	552688382	/nfs/dbraw/zinc/68/83/82/552688382.db2.gz	BHVURFBQYDTJJK-UHFFFAOYSA-N	1	1	354.372	2.020	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](C[C@@H](O)COCc3ccccc3F)C2)nc1	ZINC000292096126	552693261	/nfs/dbraw/zinc/69/32/61/552693261.db2.gz	FXPICIPBWBOWPO-MSOLQXFVSA-N	1	1	371.412	2.123	20	30		FEEDMO
CN(C(=O)CC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000292123729	552696002	/nfs/dbraw/zinc/69/60/02/552696002.db2.gz	IEVJFLKDXXMCCT-SFHVURJKSA-N	1	1	350.422	2.459	20	30		FEEDMO
C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292158046	552699586	/nfs/dbraw/zinc/69/95/86/552699586.db2.gz	KRGRLWLBINJWKL-GOEBONIOSA-N	1	1	370.478	2.215	20	30		FEEDMO
C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292158046	552699588	/nfs/dbraw/zinc/69/95/88/552699588.db2.gz	KRGRLWLBINJWKL-GOEBONIOSA-N	1	1	370.478	2.215	20	30		FEEDMO
Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292280558	552711847	/nfs/dbraw/zinc/71/18/47/552711847.db2.gz	SUIYFUKADLFOQV-QZTJIDSGSA-N	1	1	353.422	2.155	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292280672	552711865	/nfs/dbraw/zinc/71/18/65/552711865.db2.gz	SVAMFTDSPIQYSS-QGZVFWFLSA-N	1	1	364.405	2.366	20	30		FEEDMO
Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292330518	552716410	/nfs/dbraw/zinc/71/64/10/552716410.db2.gz	WGYUYWAFNFTJJG-GOSISDBHSA-N	1	1	350.422	2.031	20	30		FEEDMO
Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292330518	552716411	/nfs/dbraw/zinc/71/64/11/552716411.db2.gz	WGYUYWAFNFTJJG-GOSISDBHSA-N	1	1	350.422	2.031	20	30		FEEDMO
C[C@@H](c1ccccc1)[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)C(N)=O	ZINC000292366677	552719923	/nfs/dbraw/zinc/71/99/23/552719923.db2.gz	YIDGHRCDADVDSV-OXJNMPFZSA-N	1	1	364.449	2.180	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)COCc3cccs3)C2)nc1	ZINC000292375438	552720886	/nfs/dbraw/zinc/72/08/86/552720886.db2.gz	YWBXTHOQEMDWLK-HOTGVXAUSA-N	1	1	359.451	2.046	20	30		FEEDMO
C=CCCCS(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000292711992	552751923	/nfs/dbraw/zinc/75/19/23/552751923.db2.gz	UARQKHQMSMUKLO-GOSISDBHSA-N	1	1	352.500	2.029	20	30		FEEDMO
C=C[C@H](CO)NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000292932987	552772118	/nfs/dbraw/zinc/77/21/18/552772118.db2.gz	KLXZNUUOXZKUOP-IOASZLSFSA-N	1	1	355.841	2.318	20	30		FEEDMO
C[N@H+]1CCC[C@@]2(CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1	ZINC000292968391	552775638	/nfs/dbraw/zinc/77/56/38/552775638.db2.gz	MCTZXLJDKQMHFE-PZJWPPBQSA-N	1	1	352.482	2.471	20	30		FEEDMO
C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)C2)C1	ZINC000293291827	552808147	/nfs/dbraw/zinc/80/81/47/552808147.db2.gz	IBILGOCEFOWVIC-SFHVURJKSA-N	1	1	360.845	2.094	20	30		FEEDMO
C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)C2)C1	ZINC000293530801	552832692	/nfs/dbraw/zinc/83/26/92/552832692.db2.gz	ZNHJKKNQSIUUOO-SFHVURJKSA-N	1	1	360.845	2.094	20	30		FEEDMO
CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC[C@@H](C#N)C1	ZINC000293645417	552843536	/nfs/dbraw/zinc/84/35/36/552843536.db2.gz	XSKDOPKAIUWXMN-VQIMIIECSA-N	1	1	356.470	2.476	20	30		FEEDMO
CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@@H]1CC[C@@H](C#N)C1	ZINC000293645417	552843537	/nfs/dbraw/zinc/84/35/37/552843537.db2.gz	XSKDOPKAIUWXMN-VQIMIIECSA-N	1	1	356.470	2.476	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)nc1	ZINC000293734901	552851431	/nfs/dbraw/zinc/85/14/31/552851431.db2.gz	NPWGZCONMBZPKE-QZTJIDSGSA-N	1	1	354.454	2.340	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CCNC(=O)c1ccc2ccccc2c1	ZINC000293937348	552869361	/nfs/dbraw/zinc/86/93/61/552869361.db2.gz	IMUIKCOHHUYFDA-UHFFFAOYSA-N	1	1	351.450	2.031	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cc(C)ccc1I	ZINC000294088002	552880861	/nfs/dbraw/zinc/88/08/61/552880861.db2.gz	XJAPKUOMHXRKLG-UHFFFAOYSA-N	1	1	370.234	2.285	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2sccc2C#N)C[N@H+]1Cc1ccccc1	ZINC000294230815	552889732	/nfs/dbraw/zinc/88/97/32/552889732.db2.gz	XNZCXLCNHIGPIM-CZUORRHYSA-N	1	1	368.462	2.337	20	30		FEEDMO
N#Cc1cnc(NCc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1	ZINC000294779806	552933667	/nfs/dbraw/zinc/93/36/67/552933667.db2.gz	ANLPVYDPZONWHS-UHFFFAOYSA-N	1	1	353.382	2.306	20	30		FEEDMO
C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[N@H+](C(C)C)CC1	ZINC000295879990	553070873	/nfs/dbraw/zinc/07/08/73/553070873.db2.gz	GZMKWZSBTSPZIB-UHFFFAOYSA-N	1	1	357.506	2.246	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ncc(Br)cc1C#N	ZINC000296805395	553214215	/nfs/dbraw/zinc/21/42/15/553214215.db2.gz	PPKISPKHMNWXRT-LBPRGKRZSA-N	1	1	365.275	2.405	20	30		FEEDMO
C[C@H]1C[NH+](CCOC2CCN(C(=O)CC(C)(C)C#N)CC2)C[C@H](C)O1	ZINC000503300870	561639094	/nfs/dbraw/zinc/63/90/94/561639094.db2.gz	GOWGIRJIEUASRR-HOTGVXAUSA-N	1	1	351.491	2.043	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)N2CC[NH+](CCOC)CC2)cc1OC	ZINC000298077722	553381213	/nfs/dbraw/zinc/38/12/13/553381213.db2.gz	FKJNXYFPHBPKJA-SOFGYWHQSA-N	1	1	360.454	2.064	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)N[C@H]3CC[C@@H](CC#N)C3)CC2)nc(C)[nH+]1	ZINC000298453814	553426643	/nfs/dbraw/zinc/42/66/43/553426643.db2.gz	NVGFUILYNYNYAM-RDJZCZTQSA-N	1	1	356.474	2.444	20	30		FEEDMO
CCOCCO[C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000299001654	553501946	/nfs/dbraw/zinc/50/19/46/553501946.db2.gz	JYPRSXMYWDRYNS-KRWDZBQOSA-N	1	1	359.470	2.034	20	30		FEEDMO
CCOCCO[C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000299001654	553501947	/nfs/dbraw/zinc/50/19/47/553501947.db2.gz	JYPRSXMYWDRYNS-KRWDZBQOSA-N	1	1	359.470	2.034	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2	ZINC000299192718	553528096	/nfs/dbraw/zinc/52/80/96/553528096.db2.gz	SGPYVHAAKSHFGH-JOCHJYFZSA-N	1	1	369.509	2.188	20	30		FEEDMO
CS[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1N1CCCC1	ZINC000299197512	553529027	/nfs/dbraw/zinc/52/90/27/553529027.db2.gz	FBCQLZVFVNLCII-ROUUACIJSA-N	1	1	358.511	2.398	20	30		FEEDMO
CS[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1N1CCCC1	ZINC000299197512	553529028	/nfs/dbraw/zinc/52/90/28/553529028.db2.gz	FBCQLZVFVNLCII-ROUUACIJSA-N	1	1	358.511	2.398	20	30		FEEDMO
CS[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1N1CCCC1	ZINC000299197511	553529219	/nfs/dbraw/zinc/52/92/19/553529219.db2.gz	FBCQLZVFVNLCII-QZTJIDSGSA-N	1	1	358.511	2.398	20	30		FEEDMO
CS[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H]1N1CCCC1	ZINC000299197511	553529220	/nfs/dbraw/zinc/52/92/20/553529220.db2.gz	FBCQLZVFVNLCII-QZTJIDSGSA-N	1	1	358.511	2.398	20	30		FEEDMO
CN(C)c1nc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)cc[nH+]1	ZINC000301332292	553642946	/nfs/dbraw/zinc/64/29/46/553642946.db2.gz	BNGGUJSYZUDSBX-UHFFFAOYSA-N	1	1	359.437	2.289	20	30		FEEDMO
N#Cc1ccc(NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cn1	ZINC000301497674	553655941	/nfs/dbraw/zinc/65/59/41/553655941.db2.gz	CZFQOXVORKUIPD-UHFFFAOYSA-N	1	1	365.437	2.226	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(c2nc3c(cc2C#N)CCCC3)CC1	ZINC000301900480	553689698	/nfs/dbraw/zinc/68/96/98/553689698.db2.gz	USPMBTNEOIKGGV-IBGZPJMESA-N	1	1	353.514	2.438	20	30		FEEDMO
CCN1CC[NH+](CCCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000302663332	553724471	/nfs/dbraw/zinc/72/44/71/553724471.db2.gz	MBVQOMCJYNKILU-UHFFFAOYSA-N	1	1	368.441	2.454	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)CN1CCN(Cc2ccccc2)CC1	ZINC000310707342	553753276	/nfs/dbraw/zinc/75/32/76/553753276.db2.gz	LASVQLAKOZCGHA-FQEVSTJZSA-N	1	1	351.450	2.116	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)cc2C1=O	ZINC000505568927	561674220	/nfs/dbraw/zinc/67/42/20/561674220.db2.gz	OZOGEONHXYUUHF-OAQYLSRUSA-N	1	1	367.449	2.027	20	30		FEEDMO
N#Cc1cncc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1	ZINC000312038696	553756072	/nfs/dbraw/zinc/75/60/72/553756072.db2.gz	UWAWPQPCLAVXPA-QGZVFWFLSA-N	1	1	370.478	2.144	20	30		FEEDMO
CCC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1	ZINC000328599559	553794527	/nfs/dbraw/zinc/79/45/27/553794527.db2.gz	CDVCAMHTEQZGHC-DOTOQJQBSA-N	1	1	350.507	2.298	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1	ZINC000328611304	553796315	/nfs/dbraw/zinc/79/63/15/553796315.db2.gz	OIUYBNIGVJPBFX-SQNIBIBYSA-N	1	1	351.491	2.068	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3COC[C@H](C2)O3)CC[N@H+]1Cc1ccccc1	ZINC000328661351	553804105	/nfs/dbraw/zinc/80/41/05/553804105.db2.gz	AEAJSZJXZVFRMP-LULLPPNCSA-N	1	1	359.470	2.053	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CCCC23CCOCC3)CC[N@H+]1CCOC	ZINC000328689931	553807659	/nfs/dbraw/zinc/80/76/59/553807659.db2.gz	DFGGRKQLSJKGHO-IAGOWNOFSA-N	1	1	353.507	2.292	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)N[C@H]1CCOC2(CCC2)C1	ZINC000328701731	553809041	/nfs/dbraw/zinc/80/90/41/553809041.db2.gz	JJFJMOWBRGKRSY-INIZCTEOSA-N	1	1	353.507	2.292	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)[C@@H](C)CO1	ZINC000328796690	553823289	/nfs/dbraw/zinc/82/32/89/553823289.db2.gz	UZQTXYSKUQIBCN-VBQJREDUSA-N	1	1	362.474	2.493	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1	ZINC000328822119	553827802	/nfs/dbraw/zinc/82/78/02/553827802.db2.gz	IAKLEMVRRGUTJQ-GFCCVEGCSA-N	1	1	369.368	2.396	20	30		FEEDMO
CC(C)c1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@H](C3CC[NH+](C)CC3)C1)CC2	ZINC000328853174	553833500	/nfs/dbraw/zinc/83/35/00/553833500.db2.gz	JCMRMIFIFFEZPS-DLBZAZTESA-N	1	1	374.533	2.294	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)C1	ZINC000328860018	553834507	/nfs/dbraw/zinc/83/45/07/553834507.db2.gz	VDHYSOSWCCCWDX-OAHLLOKOSA-N	1	1	361.442	2.236	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+](C)Cc1cnc(N(C)C)nc1	ZINC000506052286	561688809	/nfs/dbraw/zinc/68/88/09/561688809.db2.gz	SITHGZPASLMKKL-GOSISDBHSA-N	1	1	356.470	2.143	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+](C)Cc1cnc(N(C)C)nc1	ZINC000506052286	561688810	/nfs/dbraw/zinc/68/88/10/561688810.db2.gz	SITHGZPASLMKKL-GOSISDBHSA-N	1	1	356.470	2.143	20	30		FEEDMO
CC(=O)N[C@H](C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)C1CCCC1	ZINC000329029384	553867863	/nfs/dbraw/zinc/86/78/63/553867863.db2.gz	PFHFFVXBRKKJPW-KDOFPFPSSA-N	1	1	351.491	2.233	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[NH+]1CCOCC1	ZINC000506115186	561690704	/nfs/dbraw/zinc/69/07/04/561690704.db2.gz	HBRXDNMGDROZPC-GOSISDBHSA-N	1	1	359.445	2.202	20	30		FEEDMO
O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@H]1Cn1ccnn1	ZINC000329089129	553878595	/nfs/dbraw/zinc/87/85/95/553878595.db2.gz	VWFKFFLJQSGGTA-SFHVURJKSA-N	1	1	360.506	2.454	20	30		FEEDMO
CN1CCOC[C@@H]1C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000329131673	553886597	/nfs/dbraw/zinc/88/65/97/553886597.db2.gz	OXKZILDVQOPEHC-DOTOQJQBSA-N	1	1	360.458	2.352	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1	ZINC000329143582	553888344	/nfs/dbraw/zinc/88/83/44/553888344.db2.gz	VQTVPBGFEROIMR-DDBAPUKQSA-N	1	1	371.485	2.038	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C2CCCC2)C1	ZINC000329207193	553902541	/nfs/dbraw/zinc/90/25/41/553902541.db2.gz	ZWBGQXGQCQMBAS-MSOLQXFVSA-N	1	1	365.518	2.481	20	30		FEEDMO
C[C@H](C(=O)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000329264445	553913352	/nfs/dbraw/zinc/91/33/52/553913352.db2.gz	GRYRRMXJCNBPNI-LXTVHRRPSA-N	1	1	357.520	2.161	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)C1	ZINC000329278799	553916598	/nfs/dbraw/zinc/91/65/98/553916598.db2.gz	MEQMMOGDPSOLQQ-BRWVUGGUSA-N	1	1	353.507	2.291	20	30		FEEDMO
CCc1ccc(C(=O)N2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1	ZINC000329326802	553925747	/nfs/dbraw/zinc/92/57/47/553925747.db2.gz	WVSDKKPHANQTCY-SFHVURJKSA-N	1	1	370.497	2.158	20	30		FEEDMO
C[C@H](NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000329391434	553937270	/nfs/dbraw/zinc/93/72/70/553937270.db2.gz	STNWMZWMNXJXRA-DKKFBQAASA-N	1	1	365.518	2.433	20	30		FEEDMO
Cc1nc([C@H](NC(=O)[C@H](C)N2CC[NH+](C)CC2)c2ccccc2F)no1	ZINC000329399009	553939483	/nfs/dbraw/zinc/93/94/83/553939483.db2.gz	ANYYNMLXZYMCOR-BLLLJJGKSA-N	1	1	361.421	2.199	20	30		FEEDMO
C[C@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1CCCC1	ZINC000329472291	553953195	/nfs/dbraw/zinc/95/31/95/553953195.db2.gz	BENFIBQYBRQBBZ-JYJNAYRXSA-N	1	1	350.507	2.154	20	30		FEEDMO
Cc1noc([C@@H]2CC[C@H](CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)O2)n1	ZINC000329489452	553956638	/nfs/dbraw/zinc/95/66/38/553956638.db2.gz	HLFXTCYMHQWUBZ-FVPDABNVSA-N	1	1	363.462	2.069	20	30		FEEDMO
Cc1nnc2n1C[C@H](CNC(=O)N1CC[NH+](CC3CCCCC3)CC1)CC2	ZINC000329651646	553982717	/nfs/dbraw/zinc/98/27/17/553982717.db2.gz	KXHXURWOLVDNEJ-SFHVURJKSA-N	1	1	374.533	2.261	20	30		FEEDMO
C[C@H](NC(=O)NC[C@@H]1CCCCS1(=O)=O)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000329693103	553990260	/nfs/dbraw/zinc/99/02/60/553990260.db2.gz	AVSOWRKBDLAFJP-ZOBUZTSGSA-N	1	1	371.547	2.110	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3CC[C@@H](F)C3)CC2)CC1	ZINC000329703165	553991928	/nfs/dbraw/zinc/99/19/28/553991928.db2.gz	IOIQOTXONZFADK-IAGOWNOFSA-N	1	1	368.497	2.057	20	30		FEEDMO
Cc1nc([C@@H]2CCCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)sc1C	ZINC000329734015	553997060	/nfs/dbraw/zinc/99/70/60/553997060.db2.gz	KAHQIKQFACDGJP-CVEARBPZSA-N	1	1	365.547	2.099	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1	ZINC000329802525	554008370	/nfs/dbraw/zinc/00/83/70/554008370.db2.gz	ZDPIPHRVRBLDET-IXDOHACOSA-N	1	1	371.547	2.064	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCC(CC(=O)N3CCCC3)CC2)CC[N@H+]1C	ZINC000329805122	554009273	/nfs/dbraw/zinc/00/92/73/554009273.db2.gz	MSASHVODHRXPCB-WBVHZDCISA-N	1	1	350.507	2.108	20	30		FEEDMO
CCN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1c1ncc[nH]1	ZINC000329971984	554041735	/nfs/dbraw/zinc/04/17/35/554041735.db2.gz	VWAYBIJYLAHGAA-HMQMGEFJSA-N	1	1	360.506	2.018	20	30		FEEDMO
CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1	ZINC000329974018	554042245	/nfs/dbraw/zinc/04/22/45/554042245.db2.gz	YXKOQCZHPGFLSJ-HOCLYGCPSA-N	1	1	357.520	2.022	20	30		FEEDMO
CC(=O)N[C@@H](C)C1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1	ZINC000330017785	554050172	/nfs/dbraw/zinc/05/01/72/554050172.db2.gz	RSUFHQFPGFGEKF-LBPRGKRZSA-N	1	1	372.473	2.440	20	30		FEEDMO
C[C@H](NC(=O)N1CC[C@H](N2CCCC2=O)C1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000330034782	554052596	/nfs/dbraw/zinc/05/25/96/554052596.db2.gz	BHUQKGVZGLBBSP-JZXOWHBKSA-N	1	1	362.518	2.250	20	30		FEEDMO
Cn1cc([C@@H]2[C@H](C(=O)NC[C@H]3CC[N@@H+](C)C3)CC(=O)N2C(C)(C)C)cn1	ZINC000330034506	554052696	/nfs/dbraw/zinc/05/26/96/554052696.db2.gz	BAWXGNXKLHSJFM-FRFSOERESA-N	1	1	361.490	2.016	20	30		FEEDMO
CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[C@@H](C)C1	ZINC000330062398	554057550	/nfs/dbraw/zinc/05/75/50/554057550.db2.gz	PFGXYBNMFHHNNK-FRQCXROJSA-N	1	1	358.486	2.289	20	30		FEEDMO
C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CCC2(CCCCC2)O1	ZINC000330078885	554060741	/nfs/dbraw/zinc/06/07/41/554060741.db2.gz	FSNVYXHTPRALGP-SJORKVTESA-N	1	1	352.523	2.008	20	30		FEEDMO
C[N@@H+](CCO)C1CCN(C(=O)NCc2nc3ccccc3n2C2CC2)CC1	ZINC000330149518	554073908	/nfs/dbraw/zinc/07/39/08/554073908.db2.gz	KFERRSPNBBPUEV-UHFFFAOYSA-N	1	1	371.485	2.174	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1	ZINC000330156291	554075891	/nfs/dbraw/zinc/07/58/91/554075891.db2.gz	YSJSRZSOHYOERO-RCCFBDPRSA-N	1	1	362.518	2.108	20	30		FEEDMO
CO[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C[C@@H]1OC	ZINC000330170930	554078019	/nfs/dbraw/zinc/07/80/19/554078019.db2.gz	DZOJLBDERQTDOK-MPTYRVRUSA-N	1	1	367.515	2.391	20	30		FEEDMO
C[C@]1(CNC(=O)N[C@H]2CCc3ncnn3C2)CCC[N@H+]1Cc1ccccc1	ZINC000330246448	554092157	/nfs/dbraw/zinc/09/21/57/554092157.db2.gz	LGLIVDWMLLVWIJ-FXAWDEMLSA-N	1	1	368.485	2.151	20	30		FEEDMO
C[C@]1(CNC([O-])=[NH+][C@H]2CCc3ncnn3C2)CCC[N@H+]1Cc1ccccc1	ZINC000330246448	554092159	/nfs/dbraw/zinc/09/21/59/554092159.db2.gz	LGLIVDWMLLVWIJ-FXAWDEMLSA-N	1	1	368.485	2.151	20	30		FEEDMO
Cc1nnc([C@@H](C)NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)s1	ZINC000330324235	554105661	/nfs/dbraw/zinc/10/56/61/554105661.db2.gz	UAPOWZBHJQINSA-NWDGAFQWSA-N	1	1	353.492	2.007	20	30		FEEDMO
COc1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1OC(C)C	ZINC000330580425	554141132	/nfs/dbraw/zinc/14/11/32/554141132.db2.gz	TYBBGODZWAGODW-CABCVRRESA-N	1	1	365.474	2.415	20	30		FEEDMO
CN(C)C(=O)NCC[N@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000330705073	554160316	/nfs/dbraw/zinc/16/03/16/554160316.db2.gz	RTNJIXSMZNZLST-HNNXBMFYSA-N	1	1	352.866	2.243	20	30		FEEDMO
CN(C)C(=O)NCC[N@@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O	ZINC000330705073	554160317	/nfs/dbraw/zinc/16/03/17/554160317.db2.gz	RTNJIXSMZNZLST-HNNXBMFYSA-N	1	1	352.866	2.243	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](NC(=O)NCc2cc(Br)cs2)C1	ZINC000330838386	554177598	/nfs/dbraw/zinc/17/75/98/554177598.db2.gz	MFKQJZGHXGXOGG-LLVKDONJSA-N	1	1	362.293	2.235	20	30		FEEDMO
CCCCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O	ZINC000330920441	554188535	/nfs/dbraw/zinc/18/85/35/554188535.db2.gz	PESBDFJDMHPLCZ-TWMKSMIVSA-N	1	1	353.507	2.468	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F	ZINC000330928749	554190281	/nfs/dbraw/zinc/19/02/81/554190281.db2.gz	ZRSGVJTTXPXROP-AWEZNQCLSA-N	1	1	364.465	2.361	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1	ZINC000330945876	554192605	/nfs/dbraw/zinc/19/26/05/554192605.db2.gz	AHUXIZOFIQSXEB-NSHDSACASA-N	1	1	354.382	2.056	20	30		FEEDMO
Cc1c(NC(=O)C[N@H+](C)[C@@H]2CCSC2)cccc1NC(=O)N(C)C	ZINC000330957153	554194182	/nfs/dbraw/zinc/19/41/82/554194182.db2.gz	COSWWVYMYKFADA-CYBMUJFWSA-N	1	1	350.488	2.478	20	30		FEEDMO
Cc1c(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)cccc1NC(=O)N(C)C	ZINC000330957153	554194183	/nfs/dbraw/zinc/19/41/83/554194183.db2.gz	COSWWVYMYKFADA-CYBMUJFWSA-N	1	1	350.488	2.478	20	30		FEEDMO
CC(C)c1nn(C)cc1NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000331245447	554235820	/nfs/dbraw/zinc/23/58/20/554235820.db2.gz	PENYFQOVADJFQY-INIZCTEOSA-N	1	1	350.511	2.141	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CN2CCCCC2=O)CC1	ZINC000331294376	554242925	/nfs/dbraw/zinc/24/29/25/554242925.db2.gz	MEFJYYFKRNTEOA-UZLBHIALSA-N	1	1	362.518	2.154	20	30		FEEDMO
CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000331304773	554244889	/nfs/dbraw/zinc/24/48/89/554244889.db2.gz	UPJWTZWZWJVHNT-UWVGGRQHSA-N	1	1	361.368	2.047	20	30		FEEDMO
CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000331304773	554244891	/nfs/dbraw/zinc/24/48/91/554244891.db2.gz	UPJWTZWZWJVHNT-UWVGGRQHSA-N	1	1	361.368	2.047	20	30		FEEDMO
C=CCn1c(CC2CCCC2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000508825471	561774027	/nfs/dbraw/zinc/77/40/27/561774027.db2.gz	FJOPIBQJYZXUJO-SFHVURJKSA-N	1	1	359.518	2.355	20	30		FEEDMO
CCCNC(=O)[C@@H]1CCCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)C1	ZINC000331316836	554246382	/nfs/dbraw/zinc/24/63/82/554246382.db2.gz	JHYMHXCNLWOMSK-HZPDHXFCSA-N	1	1	352.523	2.259	20	30		FEEDMO
O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1ccc(Br)cc1O	ZINC000331329595	554247957	/nfs/dbraw/zinc/24/79/57/554247957.db2.gz	OCUCMOHUINDZQL-GFCCVEGCSA-N	1	1	357.248	2.306	20	30		FEEDMO
C=CCn1c(C(=O)NC(CC)CC)nnc1N1CC[N@@H+](C)[C@H](C(C)C)C1	ZINC000508909310	561777954	/nfs/dbraw/zinc/77/79/54/561777954.db2.gz	YZLQRZZCFKYGSC-INIZCTEOSA-N	1	1	362.522	2.159	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[N@@H+]1C1CC1	ZINC000331436131	554264256	/nfs/dbraw/zinc/26/42/56/554264256.db2.gz	CTGRDUYVKSCLEL-JQWIXIFHSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[N@H+]1C1CC1	ZINC000331436131	554264257	/nfs/dbraw/zinc/26/42/57/554264257.db2.gz	CTGRDUYVKSCLEL-JQWIXIFHSA-N	1	1	373.400	2.481	20	30		FEEDMO
CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1	ZINC000331743750	554320010	/nfs/dbraw/zinc/32/00/10/554320010.db2.gz	YAYBORREGDTNJN-NRFANRHFSA-N	1	1	355.482	2.437	20	30		FEEDMO
Cc1c[nH+]cn1C1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1	ZINC000332410276	554441216	/nfs/dbraw/zinc/44/12/16/554441216.db2.gz	QVEVMFACERRPDZ-UHFFFAOYSA-N	1	1	362.430	2.369	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)CC1(C#N)CCCC1	ZINC000510683007	561843208	/nfs/dbraw/zinc/84/32/08/561843208.db2.gz	OWRQVHSHYRYCHF-UHFFFAOYSA-N	1	1	353.488	2.447	20	30		FEEDMO
COc1ccc([C@@H](CNS(=O)(=O)[C@H](C)C#N)[NH+]2CCCCC2)cc1	ZINC000510778709	561846323	/nfs/dbraw/zinc/84/63/23/561846323.db2.gz	OKAMUNNNJAFNOJ-RHSMWYFYSA-N	1	1	351.472	2.054	20	30		FEEDMO
N#Cc1ccc(NCCCCN2CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000611239821	554618910	/nfs/dbraw/zinc/61/89/10/554618910.db2.gz	VUYMNWGANLCSEV-UHFFFAOYSA-N	1	1	350.470	2.358	20	30		FEEDMO
C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCC(F)(C#N)CC2)CC1	ZINC000510966878	561852516	/nfs/dbraw/zinc/85/25/16/561852516.db2.gz	JLPMTHRWHBQTIN-KRWDZBQOSA-N	1	1	358.461	2.219	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1=O	ZINC000348550894	554688147	/nfs/dbraw/zinc/68/81/47/554688147.db2.gz	JASGPGLSJWVGIV-GUYCJALGSA-N	1	1	354.410	2.365	20	30		FEEDMO
N#CCCn1ccc(=NC(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)[nH]1	ZINC000360426870	554874376	/nfs/dbraw/zinc/87/43/76/554874376.db2.gz	SUXIJSOWDJNJBI-UHFFFAOYSA-N	1	1	370.432	2.676	20	30		FEEDMO
N#CCCn1ccc(=NC(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)[nH]1	ZINC000360426870	554874378	/nfs/dbraw/zinc/87/43/78/554874378.db2.gz	SUXIJSOWDJNJBI-UHFFFAOYSA-N	1	1	370.432	2.676	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1	ZINC000362454131	554972879	/nfs/dbraw/zinc/97/28/79/554972879.db2.gz	SVYNUOSFQNSFJS-CQSZACIVSA-N	1	1	350.488	2.218	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1	ZINC000362454131	554972882	/nfs/dbraw/zinc/97/28/82/554972882.db2.gz	SVYNUOSFQNSFJS-CQSZACIVSA-N	1	1	350.488	2.218	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)[nH]1	ZINC000614182391	555019524	/nfs/dbraw/zinc/01/95/24/555019524.db2.gz	OTGULUUIMMAJCB-QGZVFWFLSA-N	1	1	352.442	2.324	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)[nH]1	ZINC000614182391	555019525	/nfs/dbraw/zinc/01/95/25/555019525.db2.gz	OTGULUUIMMAJCB-QGZVFWFLSA-N	1	1	352.442	2.324	20	30		FEEDMO
C=CCN(C(=O)c1cc(C(N)=O)c[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363311297	555075712	/nfs/dbraw/zinc/07/57/12/555075712.db2.gz	UIHWOBARZQEZBT-KRWDZBQOSA-N	1	1	352.438	2.016	20	30		FEEDMO
C[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000363384688	555091960	/nfs/dbraw/zinc/09/19/60/555091960.db2.gz	OCIUGFCZBUQPLV-XHSDSOJGSA-N	1	1	355.486	2.300	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1	ZINC000363387380	555092449	/nfs/dbraw/zinc/09/24/49/555092449.db2.gz	DGNAJNWXHZTTRU-UHFFFAOYSA-N	1	1	371.466	2.125	20	30		FEEDMO
CC[N@H+]1CCc2c(cccc2-n2nnc(C(=O)N(C)C[C@@H](C)C#N)c2C)C1	ZINC000363397377	555095275	/nfs/dbraw/zinc/09/52/75/555095275.db2.gz	NFSOFTPPCLSQLL-AWEZNQCLSA-N	1	1	366.469	2.185	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1OC	ZINC000363546974	555133750	/nfs/dbraw/zinc/13/37/50/555133750.db2.gz	SXSGVMYXTJDUSQ-SUQGKYDKSA-N	1	1	372.465	2.206	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc(OCC#N)cc1	ZINC000363663958	555158980	/nfs/dbraw/zinc/15/89/80/555158980.db2.gz	VYGHXMJIHWCEGB-UXPWSPDFSA-N	1	1	371.481	2.137	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1	ZINC000363785660	555185991	/nfs/dbraw/zinc/18/59/91/555185991.db2.gz	ZMCYNQRELUSNMG-ZHALLVOQSA-N	1	1	361.486	2.314	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000363870693	555203115	/nfs/dbraw/zinc/20/31/15/555203115.db2.gz	WYDBHHZLGWEEMZ-WMZOPIPTSA-N	1	1	352.523	2.242	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000363870693	555203117	/nfs/dbraw/zinc/20/31/17/555203117.db2.gz	WYDBHHZLGWEEMZ-WMZOPIPTSA-N	1	1	352.523	2.242	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000363941979	555218633	/nfs/dbraw/zinc/21/86/33/555218633.db2.gz	SFQWHOWYIUSCGB-IAGOWNOFSA-N	1	1	357.454	2.469	20	30		FEEDMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)NCC#Cc2cccc(F)c2)C[C@H](C)O1	ZINC000512183386	561895077	/nfs/dbraw/zinc/89/50/77/561895077.db2.gz	KKPYFQDZRHKRAY-HOTGVXAUSA-N	1	1	361.461	2.364	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000364161498	555260865	/nfs/dbraw/zinc/26/08/65/555260865.db2.gz	MNRPXKVSJFCGBR-HKUYNNGSSA-N	1	1	359.470	2.256	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N1CCC[N@H+](CC(C)(C)O)CC1	ZINC000364162111	555261153	/nfs/dbraw/zinc/26/11/53/555261153.db2.gz	ROSLEUMNWOEKOM-UHFFFAOYSA-N	1	1	361.486	2.240	20	30		FEEDMO
C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)n1	ZINC000364184580	555265087	/nfs/dbraw/zinc/26/50/87/555265087.db2.gz	CFNKRVYZCCDZRW-SFHVURJKSA-N	1	1	372.513	2.146	20	30		FEEDMO
C=CCN(C(=O)Nc1nccn(C)c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364288297	555285427	/nfs/dbraw/zinc/28/54/27/555285427.db2.gz	GSLLVJZDEHEQDF-QGZVFWFLSA-N	1	1	367.453	2.075	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCC(C#N)CC2)[C@H]1c1cccs1	ZINC000512764183	561914666	/nfs/dbraw/zinc/91/46/66/561914666.db2.gz	BVPDHRTXNSNIGB-RDJZCZTQSA-N	1	1	374.510	2.009	20	30		FEEDMO
COc1ccc(CN2CCC[N@H+]([C@H](C)CO)CC2)cc1OCCCC#N	ZINC000364924478	555439239	/nfs/dbraw/zinc/43/92/39/555439239.db2.gz	UTEWPOCNBZLVAV-QGZVFWFLSA-N	1	1	361.486	2.266	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3nnc4ccccn43)CC2)cc1	ZINC000365208262	555511662	/nfs/dbraw/zinc/51/16/62/555511662.db2.gz	OFXXFRNWQYPNQP-UHFFFAOYSA-N	1	1	374.448	2.097	20	30		FEEDMO
C=CCOc1cccc(C[N@@H+](C)CC(=O)N2CCC[C@@H](C(=O)OCC)C2)c1	ZINC000513128350	561926326	/nfs/dbraw/zinc/92/63/26/561926326.db2.gz	PWYYTEKWXIUWBJ-GOSISDBHSA-N	1	1	374.481	2.485	20	30		FEEDMO
C=CCOc1cccc(C[N@H+](C)CC(=O)N2CCC[C@@H](C(=O)OCC)C2)c1	ZINC000513128350	561926327	/nfs/dbraw/zinc/92/63/27/561926327.db2.gz	PWYYTEKWXIUWBJ-GOSISDBHSA-N	1	1	374.481	2.485	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc3c(c2)CCN3C(=O)C(C)(C)C)CC1	ZINC000365416313	555569170	/nfs/dbraw/zinc/56/91/70/555569170.db2.gz	HUDGHNWKOGOCHE-UHFFFAOYSA-N	1	1	367.493	2.403	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)C2)n1	ZINC000365768517	555663122	/nfs/dbraw/zinc/66/31/22/555663122.db2.gz	HAMFLEXAHIAGHJ-MSOLQXFVSA-N	1	1	355.486	2.031	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)C1CC[NH+](Cc2nccn2C)CC1	ZINC000367344921	556023611	/nfs/dbraw/zinc/02/36/11/556023611.db2.gz	BZFYTWBGBVWZPE-HXUWFJFHSA-N	1	1	364.493	2.383	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)C1CC[NH+](Cc2nccn2C)CC1	ZINC000367344920	556023904	/nfs/dbraw/zinc/02/39/04/556023904.db2.gz	BZFYTWBGBVWZPE-FQEVSTJZSA-N	1	1	364.493	2.383	20	30		FEEDMO
C[C@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1c[nH]c(C#N)c1	ZINC000368014308	556194891	/nfs/dbraw/zinc/19/48/91/556194891.db2.gz	DMXCJVIAFCLCMB-DNVCBOLYSA-N	1	1	352.438	2.248	20	30		FEEDMO
C[C@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1c[nH]c(C#N)c1	ZINC000368014308	556194893	/nfs/dbraw/zinc/19/48/93/556194893.db2.gz	DMXCJVIAFCLCMB-DNVCBOLYSA-N	1	1	352.438	2.248	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000368348972	556284344	/nfs/dbraw/zinc/28/43/44/556284344.db2.gz	PABCNFYJVVDJKY-CVEARBPZSA-N	1	1	364.490	2.080	20	30		FEEDMO
C=CCn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C	ZINC000515333511	562005573	/nfs/dbraw/zinc/00/55/73/562005573.db2.gz	STGXTFAZBJDAPO-IXDOHACOSA-N	1	1	365.522	2.355	20	30		FEEDMO
C=CCn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C	ZINC000515333510	562005621	/nfs/dbraw/zinc/00/56/21/562005621.db2.gz	STGXTFAZBJDAPO-IKGGRYGDSA-N	1	1	365.522	2.355	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCN(C)[C@H](C#N)C2)cc1F	ZINC000368699742	556390028	/nfs/dbraw/zinc/39/00/28/556390028.db2.gz	IHBNCNGZDIYGKD-CZUORRHYSA-N	1	1	370.432	2.230	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1	ZINC000368816376	556421138	/nfs/dbraw/zinc/42/11/38/556421138.db2.gz	FLOHARYKOFSISL-ZWKOTPCHSA-N	1	1	374.529	2.442	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000368925305	556449929	/nfs/dbraw/zinc/44/99/29/556449929.db2.gz	QZXZJIOLVQXVMN-SFTDATJTSA-N	1	1	360.498	2.311	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000369064127	556494556	/nfs/dbraw/zinc/49/45/56/556494556.db2.gz	LYTZYQVDMPERPS-OAHLLOKOSA-N	1	1	356.470	2.341	20	30		FEEDMO
N#Cc1cccc(CCNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1	ZINC000369161849	556521909	/nfs/dbraw/zinc/52/19/09/556521909.db2.gz	GCRVZOJYFZDGAO-OALUTQOASA-N	1	1	356.470	2.043	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2CC(=O)NC2(C#N)CCCCC2)n1	ZINC000369249224	556549223	/nfs/dbraw/zinc/54/92/23/556549223.db2.gz	HTNFUKSMIDEANP-KRWDZBQOSA-N	1	1	358.490	2.092	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2CC(=O)NC2(C#N)CCCCC2)n1	ZINC000369249224	556549228	/nfs/dbraw/zinc/54/92/28/556549228.db2.gz	HTNFUKSMIDEANP-KRWDZBQOSA-N	1	1	358.490	2.092	20	30		FEEDMO
Cn1c(CC[N@@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)nc2ccccc21	ZINC000369515854	556617087	/nfs/dbraw/zinc/61/70/87/556617087.db2.gz	JVWIPNNBWYUCCU-OYHNWAKOSA-N	1	1	371.444	2.461	20	30		FEEDMO
Cn1c(CC[N@H+]2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)nc2ccccc21	ZINC000369515854	556617088	/nfs/dbraw/zinc/61/70/88/556617088.db2.gz	JVWIPNNBWYUCCU-OYHNWAKOSA-N	1	1	371.444	2.461	20	30		FEEDMO
N#CC[C@@H](CC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1	ZINC000369530090	556622067	/nfs/dbraw/zinc/62/20/67/556622067.db2.gz	GFRSGFWFKYMIGG-PKOBYXMFSA-N	1	1	368.481	2.015	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)n1	ZINC000369784682	556693980	/nfs/dbraw/zinc/69/39/80/556693980.db2.gz	PWXVFCPDLJGRDA-GOSISDBHSA-N	1	1	352.442	2.260	20	30		FEEDMO
Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)n1	ZINC000369899686	556725210	/nfs/dbraw/zinc/72/52/10/556725210.db2.gz	JHDDTEBXRRGZMP-IBGZPJMESA-N	1	1	363.465	2.454	20	30		FEEDMO
Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)n1	ZINC000369899686	556725213	/nfs/dbraw/zinc/72/52/13/556725213.db2.gz	JHDDTEBXRRGZMP-IBGZPJMESA-N	1	1	363.465	2.454	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1	ZINC000370018726	556759412	/nfs/dbraw/zinc/75/94/12/556759412.db2.gz	JFVNYIVVIZMEIV-QGZVFWFLSA-N	1	1	368.485	2.055	20	30		FEEDMO
CCS[C@H]1CC[C@@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000516599255	562050096	/nfs/dbraw/zinc/05/00/96/562050096.db2.gz	ZBCOXIPBCXPWMJ-CABCVRRESA-N	1	1	353.513	2.333	20	30		FEEDMO
CCS[C@H]1CC[C@@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000516599255	562050097	/nfs/dbraw/zinc/05/00/97/562050097.db2.gz	ZBCOXIPBCXPWMJ-CABCVRRESA-N	1	1	353.513	2.333	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c(C#N)c1C	ZINC000370409119	556864418	/nfs/dbraw/zinc/86/44/18/556864418.db2.gz	BBTVNPUFZRWEAA-ORAYPTAESA-N	1	1	358.442	2.039	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c(C#N)c1C	ZINC000370409119	556864422	/nfs/dbraw/zinc/86/44/22/556864422.db2.gz	BBTVNPUFZRWEAA-ORAYPTAESA-N	1	1	358.442	2.039	20	30		FEEDMO
C=CCN1CC(=O)N([C@H]2CC[N@@H+](C3CC3)[C@H]2c2cccc(OC)c2)C1=O	ZINC000370445430	556875561	/nfs/dbraw/zinc/87/55/61/556875561.db2.gz	UUBCVVMZDZZPHI-HKUYNNGSSA-N	1	1	355.438	2.423	20	30		FEEDMO
C[C@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1	ZINC000516856936	562060794	/nfs/dbraw/zinc/06/07/94/562060794.db2.gz	IMBUGGINHLXDAP-FXAWDEMLSA-N	1	1	369.513	2.164	20	30		FEEDMO
N#C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCN1C1CC1	ZINC000370990708	557038319	/nfs/dbraw/zinc/03/83/19/557038319.db2.gz	IGVNHTFQZUOUPE-XLIONFOSSA-N	1	1	370.472	2.236	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1	ZINC000371515551	557206831	/nfs/dbraw/zinc/20/68/31/557206831.db2.gz	ANIWYNMMKMZOFY-DZGCQCFKSA-N	1	1	356.401	2.193	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1	ZINC000517680857	562095308	/nfs/dbraw/zinc/09/53/08/562095308.db2.gz	JWDFCILPWMBPJY-QGZVFWFLSA-N	1	1	366.421	2.196	20	30		FEEDMO
CC(C)(CCC#N)C[N@H+]1CCC[C@@H](c2n[nH]cc2NS(C)(=O)=O)C1	ZINC000371607769	557237874	/nfs/dbraw/zinc/23/78/74/557237874.db2.gz	ORLVSKZOGORXOK-CYBMUJFWSA-N	1	1	353.492	2.291	20	30		FEEDMO
C=CCSCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1	ZINC000371739103	557279891	/nfs/dbraw/zinc/27/98/91/557279891.db2.gz	JJVZIWUEYSHJKN-HOCLYGCPSA-N	1	1	351.520	2.021	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000371834376	557306462	/nfs/dbraw/zinc/30/64/62/557306462.db2.gz	JKRURWRPOPLEQK-LBPRGKRZSA-N	1	1	369.450	2.344	20	30		FEEDMO
Cc1cc(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)nn1-c1cccc(C#N)c1	ZINC000372376101	557454259	/nfs/dbraw/zinc/45/42/59/557454259.db2.gz	JWHXZYCYARIZDN-KRWDZBQOSA-N	1	1	366.469	2.858	20	30		FEEDMO
Cc1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1C#N	ZINC000372430916	557468673	/nfs/dbraw/zinc/46/86/73/557468673.db2.gz	IWFYMFOGAAQQEM-LPHOPBHVSA-N	1	1	370.478	2.233	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000372430824	557468825	/nfs/dbraw/zinc/46/88/25/557468825.db2.gz	IAXYZPOPERFAOH-HKUYNNGSSA-N	1	1	370.478	2.233	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1CCCN(C(N)=O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372598777	557516765	/nfs/dbraw/zinc/51/67/65/557516765.db2.gz	HGOMAZXDDITJJF-RTBURBONSA-N	1	1	370.497	2.066	20	30		FEEDMO
N#Cc1ccccc1Cn1cccc1CNC[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000372671960	557534422	/nfs/dbraw/zinc/53/44/22/557534422.db2.gz	FTOYBWKXHLVVQP-LEWJYISDSA-N	1	1	350.466	2.361	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000372948025	557594592	/nfs/dbraw/zinc/59/45/92/557594592.db2.gz	BFQVKYYIJBYKQD-OWCLPIDISA-N	1	1	364.490	2.078	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000372948025	557594593	/nfs/dbraw/zinc/59/45/93/557594593.db2.gz	BFQVKYYIJBYKQD-OWCLPIDISA-N	1	1	364.490	2.078	20	30		FEEDMO
COc1ccc(C[C@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)cc1	ZINC000373076220	557622916	/nfs/dbraw/zinc/62/29/16/557622916.db2.gz	JNXLTFVUBGHIGA-GOSISDBHSA-N	1	1	354.454	2.358	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](CC)Cc1cccc(Br)c1	ZINC000520183023	562149990	/nfs/dbraw/zinc/14/99/90/562149990.db2.gz	BQIMRCIUXPNIKK-UHFFFAOYSA-N	1	1	354.248	2.283	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](CC)Cc1cccc(Br)c1	ZINC000520183023	562149991	/nfs/dbraw/zinc/14/99/91/562149991.db2.gz	BQIMRCIUXPNIKK-UHFFFAOYSA-N	1	1	354.248	2.283	20	30		FEEDMO
CC(C)c1noc([C@@]23CCC[C@@H]2C[N@@H+](CCC(=O)N(C)CCC#N)C3)n1	ZINC000373663910	557733888	/nfs/dbraw/zinc/73/38/88/557733888.db2.gz	ZGAQPLLCEAKDKA-DNVCBOLYSA-N	1	1	359.474	2.309	20	30		FEEDMO
N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1	ZINC000373932655	557790189	/nfs/dbraw/zinc/79/01/89/557790189.db2.gz	IQIINQUCPJWVQQ-RBUKOAKNSA-N	1	1	367.497	2.407	20	30		FEEDMO
N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1	ZINC000373932654	557790517	/nfs/dbraw/zinc/79/05/17/557790517.db2.gz	IQIINQUCPJWVQQ-OALUTQOASA-N	1	1	367.497	2.407	20	30		FEEDMO
Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1C#N	ZINC000374134868	557829645	/nfs/dbraw/zinc/82/96/45/557829645.db2.gz	ATAWHGQWLQIVEH-LPHOPBHVSA-N	1	1	351.454	2.413	20	30		FEEDMO
Cc1nc(C(=O)NC2(C#N)CC[NH+](C)CC2)nn1-c1ccccc1C(C)C	ZINC000520991234	562167165	/nfs/dbraw/zinc/16/71/65/562167165.db2.gz	REABCLARKJGBFN-UHFFFAOYSA-N	1	1	366.469	2.417	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccco2)C1	ZINC000374553096	557898879	/nfs/dbraw/zinc/89/88/79/557898879.db2.gz	VULMZVFPRLVEKH-DLBZAZTESA-N	1	1	359.470	2.311	20	30		FEEDMO
C[C@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C1=CC[N@@H+](C)CC1	ZINC000374727540	557922101	/nfs/dbraw/zinc/92/21/01/557922101.db2.gz	BQKIYAXKXNUUEA-HNAYVOBHSA-N	1	1	354.454	2.292	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@H]21	ZINC000375021478	557965660	/nfs/dbraw/zinc/96/56/60/557965660.db2.gz	OUCBTEGHWWPHKJ-CZUORRHYSA-N	1	1	358.511	2.463	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)C[C@H]21	ZINC000375053973	557970711	/nfs/dbraw/zinc/97/07/11/557970711.db2.gz	JHMIEICGGFVPIB-GOEBONIOSA-N	1	1	372.494	2.183	20	30		FEEDMO
C[C@@H]1CC[S@@](=O)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000375413395	558022869	/nfs/dbraw/zinc/02/28/69/558022869.db2.gz	GWJCADDSQYHMOF-SFDCACGMSA-N	1	1	353.875	2.383	20	30		FEEDMO
C[C@@H]1CC[S@@](=O)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000375413395	558022870	/nfs/dbraw/zinc/02/28/70/558022870.db2.gz	GWJCADDSQYHMOF-SFDCACGMSA-N	1	1	353.875	2.383	20	30		FEEDMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000521691436	562182279	/nfs/dbraw/zinc/18/22/79/562182279.db2.gz	VIODGMSVXAKVAM-CALCHBBNSA-N	1	1	370.501	2.048	20	30		FEEDMO
N#CCCCOc1cccnc1NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1	ZINC000376407716	558169515	/nfs/dbraw/zinc/16/95/15/558169515.db2.gz	IVRXLZMONRRSCH-HOTGVXAUSA-N	1	1	373.457	2.139	20	30		FEEDMO
N#CCCCOc1cccnc1NC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1	ZINC000376407716	558169516	/nfs/dbraw/zinc/16/95/16/558169516.db2.gz	IVRXLZMONRRSCH-HOTGVXAUSA-N	1	1	373.457	2.139	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1	ZINC000376689272	558209012	/nfs/dbraw/zinc/20/90/12/558209012.db2.gz	MBBSJULYPAKGKX-HNNXBMFYSA-N	1	1	361.490	2.295	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1cc(C)no1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000521809004	562184028	/nfs/dbraw/zinc/18/40/28/562184028.db2.gz	SNHQGXBCRJPRMG-CQSZACIVSA-N	1	1	367.413	2.146	20	30		FEEDMO
C=CC[N@@H+](CC(=O)Nc1cc(C)no1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000521809004	562184029	/nfs/dbraw/zinc/18/40/29/562184029.db2.gz	SNHQGXBCRJPRMG-CQSZACIVSA-N	1	1	367.413	2.146	20	30		FEEDMO
C=C(CNC(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1)c1ccccc1	ZINC000377078467	558261587	/nfs/dbraw/zinc/26/15/87/558261587.db2.gz	NPEALLWSTAIUQY-IBGZPJMESA-N	1	1	356.514	2.369	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[N@H+](CCCOC)CC1	ZINC000377207493	558288507	/nfs/dbraw/zinc/28/85/07/558288507.db2.gz	KSAAJAPDBDPAQL-FQEVSTJZSA-N	1	1	357.498	2.375	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1	ZINC000377670981	558392334	/nfs/dbraw/zinc/39/23/34/558392334.db2.gz	JESCDWZDBFXYLN-RBSFLKMASA-N	1	1	372.494	2.087	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1	ZINC000377670981	558392337	/nfs/dbraw/zinc/39/23/37/558392337.db2.gz	JESCDWZDBFXYLN-RBSFLKMASA-N	1	1	372.494	2.087	20	30		FEEDMO
CC(C)(C#N)CCS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1	ZINC000377890978	558442713	/nfs/dbraw/zinc/44/27/13/558442713.db2.gz	ZMSIACHQAIYPMD-KRWDZBQOSA-N	1	1	364.515	2.153	20	30		FEEDMO
CC(C)(C#N)CCS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1	ZINC000377890978	558442714	/nfs/dbraw/zinc/44/27/14/558442714.db2.gz	ZMSIACHQAIYPMD-KRWDZBQOSA-N	1	1	364.515	2.153	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@@H]21	ZINC000378459774	558562486	/nfs/dbraw/zinc/56/24/86/558562486.db2.gz	ZPPHWSBYPUINRI-FZMZJTMJSA-N	1	1	373.400	2.292	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1C#N	ZINC000379709234	558602542	/nfs/dbraw/zinc/60/25/42/558602542.db2.gz	YDOLOMDOFVPMQV-UHFFFAOYSA-N	1	1	372.494	2.451	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)C1(CNS(=O)(=O)c2ccc(C#N)nc2)CCC1	ZINC000386574284	558607235	/nfs/dbraw/zinc/60/72/35/558607235.db2.gz	RNQLIQAOHNJVOT-UHFFFAOYSA-N	1	1	370.478	2.286	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C[C@@H]21	ZINC000408032136	558639907	/nfs/dbraw/zinc/63/99/07/558639907.db2.gz	ZYZPFAZXUKEZNC-VQTJNVASSA-N	1	1	365.481	2.393	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)n1cnc(C#N)n1	ZINC000409463030	558694512	/nfs/dbraw/zinc/69/45/12/558694512.db2.gz	ISLVLHPURPEOCA-HOTGVXAUSA-N	1	1	366.469	2.259	20	30		FEEDMO
Cc1ccc(NCCCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)[nH+]c1	ZINC000409715588	558716198	/nfs/dbraw/zinc/71/61/98/558716198.db2.gz	HWPLAEGPZACGIV-UHFFFAOYSA-N	1	1	360.421	2.679	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC[N@H+]1Cc1ccccc1	ZINC000409901392	558726023	/nfs/dbraw/zinc/72/60/23/558726023.db2.gz	NHHIZIUQVWUYCU-FUHWJXTLSA-N	1	1	366.469	2.224	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](CC(N)=O)c1ccccc1	ZINC000411666567	558939116	/nfs/dbraw/zinc/93/91/16/558939116.db2.gz	MKZMTPKUMHNMGM-SFHVURJKSA-N	1	1	350.422	2.435	20	30		FEEDMO
CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1O	ZINC000411678044	558942180	/nfs/dbraw/zinc/94/21/80/558942180.db2.gz	UKESFUJEMKDGQO-IAGOWNOFSA-N	1	1	365.518	2.169	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1	ZINC000411997678	559000606	/nfs/dbraw/zinc/00/06/06/559000606.db2.gz	IZFRCVNRWHVCQI-FQEVSTJZSA-N	1	1	366.465	2.496	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1	ZINC000411997678	559000608	/nfs/dbraw/zinc/00/06/08/559000608.db2.gz	IZFRCVNRWHVCQI-FQEVSTJZSA-N	1	1	366.465	2.496	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c(OC)c1	ZINC000412028061	559003920	/nfs/dbraw/zinc/00/39/20/559003920.db2.gz	MPGOSUWKLRUISX-IRXDYDNUSA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3nc(C)n[nH]3)C2)c(OC)c1	ZINC000412028061	559003922	/nfs/dbraw/zinc/00/39/22/559003922.db2.gz	MPGOSUWKLRUISX-IRXDYDNUSA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3nc(C)n[nH]3)C2)c(OC)c1	ZINC000412028061	559003923	/nfs/dbraw/zinc/00/39/23/559003923.db2.gz	MPGOSUWKLRUISX-IRXDYDNUSA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c(OC)c1	ZINC000412028061	559003925	/nfs/dbraw/zinc/00/39/25/559003925.db2.gz	MPGOSUWKLRUISX-IRXDYDNUSA-N	1	1	372.469	2.079	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c(OC)c1	ZINC000412028061	559003927	/nfs/dbraw/zinc/00/39/27/559003927.db2.gz	MPGOSUWKLRUISX-IRXDYDNUSA-N	1	1	372.469	2.079	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cc1	ZINC000412095560	559013049	/nfs/dbraw/zinc/01/30/49/559013049.db2.gz	XXDTVEQRNMUUFQ-IRXDYDNUSA-N	1	1	359.470	2.425	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1	ZINC000412177243	559018413	/nfs/dbraw/zinc/01/84/13/559018413.db2.gz	RFFNXMWHSFNYBU-FFZOFVMBSA-N	1	1	354.498	2.052	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)nc2)c1	ZINC000414462821	559165744	/nfs/dbraw/zinc/16/57/44/559165744.db2.gz	GBOUOKFIHSKFFJ-UHFFFAOYSA-N	1	1	358.467	2.272	20	30		FEEDMO
C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[NH+](C(COC)COC)CC1	ZINC000414543362	559170510	/nfs/dbraw/zinc/17/05/10/559170510.db2.gz	SXFADFMPFKJYKU-INIZCTEOSA-N	1	1	365.522	2.151	20	30		FEEDMO
C=CCN(C(=O)N[C@H]1CC[N@H+](CC)C1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000416735082	559330446	/nfs/dbraw/zinc/33/04/46/559330446.db2.gz	PVNCRHABAGULOA-RDJZCZTQSA-N	1	1	369.473	2.015	20	30		FEEDMO
Cc1cc(=NC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[nH]n1CCC#N	ZINC000416962792	559340576	/nfs/dbraw/zinc/34/05/76/559340576.db2.gz	VHBDITPPNHAQIJ-KRWDZBQOSA-N	1	1	366.469	2.843	20	30		FEEDMO
Cc1cc(=NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[nH]n1CCC#N	ZINC000416962792	559340577	/nfs/dbraw/zinc/34/05/77/559340577.db2.gz	VHBDITPPNHAQIJ-KRWDZBQOSA-N	1	1	366.469	2.843	20	30		FEEDMO
Cc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(C#N)cc1N(C)C	ZINC000417127632	559349124	/nfs/dbraw/zinc/34/91/24/559349124.db2.gz	GRKBIGFIARNHHF-CQSZACIVSA-N	1	1	359.474	2.023	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)cc1	ZINC000418408336	559400578	/nfs/dbraw/zinc/40/05/78/559400578.db2.gz	GIWPLWQTGKRPNX-UXHICEINSA-N	1	1	369.513	2.293	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000419643845	559451334	/nfs/dbraw/zinc/45/13/34/559451334.db2.gz	OJHLKHHHWKBWEP-HNAYVOBHSA-N	1	1	370.497	2.422	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C	ZINC000420762075	559502906	/nfs/dbraw/zinc/50/29/06/559502906.db2.gz	HZPBTZYXMMUVNB-MSOLQXFVSA-N	1	1	369.465	2.302	20	30		FEEDMO
CNC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000420967480	559515143	/nfs/dbraw/zinc/51/51/43/559515143.db2.gz	ABNHQEULDAGURY-CYBMUJFWSA-N	1	1	374.510	2.285	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(C#N)cn1CC	ZINC000421166045	559528269	/nfs/dbraw/zinc/52/82/69/559528269.db2.gz	OGPDZLCDISZBMC-LSDHHAIUSA-N	1	1	373.457	2.305	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)c(C#N)cn1CC	ZINC000421181931	559529425	/nfs/dbraw/zinc/52/94/25/559529425.db2.gz	KDDCYIOFELOFFK-AWEZNQCLSA-N	1	1	361.446	2.114	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1	ZINC000422487860	559591286	/nfs/dbraw/zinc/59/12/86/559591286.db2.gz	IWCCKEIUTGXBDN-LJQANCHMSA-N	1	1	357.498	2.439	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000422523947	559592818	/nfs/dbraw/zinc/59/28/18/559592818.db2.gz	DVAJCFZDFCWLJV-VAMGGRTRSA-N	1	1	369.509	2.233	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000422536669	559593463	/nfs/dbraw/zinc/59/34/63/559593463.db2.gz	DDSLCNHCZPBYKK-BHIYHBOVSA-N	1	1	357.498	2.231	20	30		FEEDMO
C=CCCn1cc(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000424778344	559676316	/nfs/dbraw/zinc/67/63/16/559676316.db2.gz	DYRGJXBUKUPLHY-AEFFLSMTSA-N	1	1	353.470	2.495	20	30		FEEDMO
C=CC[N@@H+](Cc1cnc(N(C)C)n1C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000425342298	559697333	/nfs/dbraw/zinc/69/73/33/559697333.db2.gz	YXLMCHSUXHGJIY-HNNXBMFYSA-N	1	1	366.473	2.211	20	30		FEEDMO
C=CCn1cc(CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000425566654	559709991	/nfs/dbraw/zinc/70/99/91/559709991.db2.gz	QPNDXHUDSHQFBU-GOSISDBHSA-N	1	1	368.485	2.128	20	30		FEEDMO
C=CCn1cc(CNC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)nn1	ZINC000425659939	559713641	/nfs/dbraw/zinc/71/36/41/559713641.db2.gz	WVMKXVMTRSGWTQ-OAHLLOKOSA-N	1	1	370.457	2.179	20	30		FEEDMO
C[N@@H+](CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)c1)C1CC1	ZINC000425808427	559720541	/nfs/dbraw/zinc/72/05/41/559720541.db2.gz	DMARVFPUGSAMCO-DOTOQJQBSA-N	1	1	354.454	2.070	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000425884968	559723993	/nfs/dbraw/zinc/72/39/93/559723993.db2.gz	LBYKWPAEYYSXRA-QFBILLFUSA-N	1	1	370.497	2.458	20	30		FEEDMO
Cc1ccc([C@H](CNS(=O)(=O)c2cccnc2C#N)[NH+]2CCCC2)cc1	ZINC000428238446	559772059	/nfs/dbraw/zinc/77/20/59/559772059.db2.gz	DJIOYOCSUKCMFF-SFHVURJKSA-N	1	1	370.478	2.377	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1	ZINC000428771195	559782985	/nfs/dbraw/zinc/78/29/85/559782985.db2.gz	HMESZXYBEGVBMY-LAUBAEHRSA-N	1	1	356.466	2.392	20	30		FEEDMO
Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428818566	559784068	/nfs/dbraw/zinc/78/40/68/559784068.db2.gz	NOUOXLAKYLSOEF-MOPGFXCFSA-N	1	1	367.449	2.463	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(OCCC[NH3+])CC1	ZINC000430556869	559822471	/nfs/dbraw/zinc/82/24/71/559822471.db2.gz	RJBZBXNPMQGPNE-INIZCTEOSA-N	1	1	365.543	2.481	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000432462446	559859295	/nfs/dbraw/zinc/85/92/95/559859295.db2.gz	SXNYCRIHXGPLPR-ROUUACIJSA-N	1	1	354.454	2.410	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cscc3C#N)cc2)CC1	ZINC000432663423	559862780	/nfs/dbraw/zinc/86/27/80/559862780.db2.gz	IGMOAJYNZOCVMH-UHFFFAOYSA-N	1	1	368.462	2.189	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1ccc(C#N)c(Br)c1)C(C)C	ZINC000433348059	559877793	/nfs/dbraw/zinc/87/77/93/559877793.db2.gz	RPPREVAHMOWCOR-UHFFFAOYSA-N	1	1	374.304	2.329	20	30		FEEDMO
CNC(=O)C[N@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1	ZINC000434679083	559905786	/nfs/dbraw/zinc/90/57/86/559905786.db2.gz	MRHNCECORCMRLZ-UHFFFAOYSA-N	1	1	353.422	2.324	20	30		FEEDMO
CNC(=O)C[N@@H+](C)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1	ZINC000434679083	559905787	/nfs/dbraw/zinc/90/57/87/559905787.db2.gz	MRHNCECORCMRLZ-UHFFFAOYSA-N	1	1	353.422	2.324	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NCCC[N@@H+](C)CCN(C)C)cc1C#N	ZINC000436520862	559944122	/nfs/dbraw/zinc/94/41/22/559944122.db2.gz	XMHJTKPESRUUJB-UHFFFAOYSA-N	1	1	361.490	2.350	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NCCCN(C)CC[NH+](C)C)cc1C#N	ZINC000436520862	559944123	/nfs/dbraw/zinc/94/41/23/559944123.db2.gz	XMHJTKPESRUUJB-UHFFFAOYSA-N	1	1	361.490	2.350	20	30		FEEDMO
CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000439474654	559994864	/nfs/dbraw/zinc/99/48/64/559994864.db2.gz	XWDSGBCOTZFMFK-QRWLVFNGSA-N	1	1	373.453	2.177	20	30		FEEDMO
CCOC(=O)[C@@]1(COC)CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000439474654	559994865	/nfs/dbraw/zinc/99/48/65/559994865.db2.gz	XWDSGBCOTZFMFK-QRWLVFNGSA-N	1	1	373.453	2.177	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)[N@H+]1CCC[C@H](C)C1	ZINC000440058334	560003962	/nfs/dbraw/zinc/00/39/62/560003962.db2.gz	CGBCTRIKYWLSJQ-UONOGXRCSA-N	1	1	353.463	2.237	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440501763	560012711	/nfs/dbraw/zinc/01/27/11/560012711.db2.gz	FSCLUZUVNIZYJK-HXUWFJFHSA-N	1	1	359.470	2.463	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440501763	560012712	/nfs/dbraw/zinc/01/27/12/560012712.db2.gz	FSCLUZUVNIZYJK-HXUWFJFHSA-N	1	1	359.470	2.463	20	30		FEEDMO
CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1=O	ZINC000442997912	560065569	/nfs/dbraw/zinc/06/55/69/560065569.db2.gz	CHBQRZXQEWXVET-CVEARBPZSA-N	1	1	361.442	2.208	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1	ZINC000444806187	560121303	/nfs/dbraw/zinc/12/13/03/560121303.db2.gz	UBLBRYKYFBNSCV-ROUUACIJSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1	ZINC000444806187	560121304	/nfs/dbraw/zinc/12/13/04/560121304.db2.gz	UBLBRYKYFBNSCV-ROUUACIJSA-N	1	1	367.511	2.054	20	30		FEEDMO
CC(C)[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@H](O)COc1ccccc1	ZINC000444806706	560121500	/nfs/dbraw/zinc/12/15/00/560121500.db2.gz	WRXDSRPMPFYBSQ-SFHVURJKSA-N	1	1	373.497	2.479	20	30		FEEDMO
C[N@@H+](CCNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C1CC1	ZINC000446634348	560148845	/nfs/dbraw/zinc/14/88/45/560148845.db2.gz	LHZGIFIUPGFIPA-UHFFFAOYSA-N	1	1	357.458	2.037	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000448677063	560193665	/nfs/dbraw/zinc/19/36/65/560193665.db2.gz	KZHMCXGXYOYBOI-AQNXPRMDSA-N	1	1	357.498	2.073	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000448677063	560193666	/nfs/dbraw/zinc/19/36/66/560193666.db2.gz	KZHMCXGXYOYBOI-AQNXPRMDSA-N	1	1	357.498	2.073	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000448677063	560193667	/nfs/dbraw/zinc/19/36/67/560193667.db2.gz	KZHMCXGXYOYBOI-AQNXPRMDSA-N	1	1	357.498	2.073	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc1	ZINC000527794971	562304221	/nfs/dbraw/zinc/30/42/21/562304221.db2.gz	KVZLZZIQXLOFSX-UHFFFAOYSA-N	1	1	364.449	2.239	20	30		FEEDMO
C=CCOc1ccc(CC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1	ZINC000448933683	560207577	/nfs/dbraw/zinc/20/75/77/560207577.db2.gz	RTGLYLWCDNPZOD-HXUWFJFHSA-N	1	1	371.525	2.422	20	30		FEEDMO
N#Cc1ccc(OCC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1Br	ZINC000449807175	560240736	/nfs/dbraw/zinc/24/07/36/560240736.db2.gz	UYJYWQKZKGFNNF-GFCCVEGCSA-N	1	1	364.243	2.052	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)c1cccc(C#N)c1Br	ZINC000449944567	560246057	/nfs/dbraw/zinc/24/60/57/560246057.db2.gz	JKBQHRPPTHVTAI-UHFFFAOYSA-N	1	1	354.248	2.019	20	30		FEEDMO
C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000450241786	560255501	/nfs/dbraw/zinc/25/55/01/560255501.db2.gz	MTJNBDUDTDNKSZ-GUTXKFCHSA-N	1	1	374.872	2.116	20	30		FEEDMO
CC[C@H](CNS(=O)(=O)CC1(CC#N)CC1)[N@H+]1CCc2ccccc2C1	ZINC000451046087	560284509	/nfs/dbraw/zinc/28/45/09/560284509.db2.gz	ZLKZJDHOPHOZRW-GOSISDBHSA-N	1	1	361.511	2.437	20	30		FEEDMO
CC(C)([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nnc2n1CCCC2	ZINC000451400756	560304555	/nfs/dbraw/zinc/30/45/55/560304555.db2.gz	BWJNDJOUVOULQA-UHFFFAOYSA-N	1	1	352.442	2.340	20	30		FEEDMO
N#C[C@@H]1N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[C@@]12CCCCO2	ZINC000451524814	560311812	/nfs/dbraw/zinc/31/18/12/560311812.db2.gz	LTKQSTHBQDQWJP-HKUYNNGSSA-N	1	1	351.410	2.335	20	30		FEEDMO
C=CCn1c(C(=O)NC(CC)CC)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1	ZINC000453449485	560386895	/nfs/dbraw/zinc/38/68/95/560386895.db2.gz	QBJOBDYJGHAYFI-INIZCTEOSA-N	1	1	362.522	2.301	20	30		FEEDMO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000453454608	560387053	/nfs/dbraw/zinc/38/70/53/560387053.db2.gz	CHJSKOWCXCLXRV-INIZCTEOSA-N	1	1	372.521	2.126	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@H+]1C	ZINC000453666047	560394927	/nfs/dbraw/zinc/39/49/27/560394927.db2.gz	WBQBKQTZPVOVHB-CZUORRHYSA-N	1	1	372.469	2.273	20	30		FEEDMO
C=C(C)CCNC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000453882199	560410463	/nfs/dbraw/zinc/41/04/63/560410463.db2.gz	IEXBVPPMBSAFKK-IYBDPMFKSA-N	1	1	359.470	2.317	20	30		FEEDMO
C=C(C)CCNC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000453882199	560410464	/nfs/dbraw/zinc/41/04/64/560410464.db2.gz	IEXBVPPMBSAFKK-IYBDPMFKSA-N	1	1	359.470	2.317	20	30		FEEDMO
C=C(CC)CNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1	ZINC000454028631	560423256	/nfs/dbraw/zinc/42/32/56/560423256.db2.gz	KRPGBISZDIRGIV-HZPDHXFCSA-N	1	1	359.470	2.317	20	30		FEEDMO
CC#CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2	ZINC000454733749	560456073	/nfs/dbraw/zinc/45/60/73/560456073.db2.gz	LAORTYYHZKUSIV-IBGZPJMESA-N	1	1	355.482	2.238	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C[C@H](C)[N@@H+]1C	ZINC000455105822	560470301	/nfs/dbraw/zinc/47/03/01/560470301.db2.gz	LMEZBVFEPMOYPT-BETUJISGSA-N	1	1	372.860	2.954	20	30		FEEDMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000455591475	560488432	/nfs/dbraw/zinc/48/84/32/560488432.db2.gz	UHKIGRQVZDDJET-UHFFFAOYSA-N	1	1	356.514	2.223	20	30		FEEDMO
C=C[C@H](C)NC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1	ZINC000455912119	560499915	/nfs/dbraw/zinc/49/99/15/560499915.db2.gz	VOUIOSPGPGKHMU-NSHDSACASA-N	1	1	368.279	2.292	20	30		FEEDMO
CCN1CC[NH+](CC(C)(C)NC(=O)c2cccc(SCC#N)c2)CC1	ZINC000456908241	560537240	/nfs/dbraw/zinc/53/72/40/560537240.db2.gz	XGDDYSPSMUAJEQ-UHFFFAOYSA-N	1	1	360.527	2.448	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCCCC[N@H+](C)C3CC3)C2)n1	ZINC000457197774	560555442	/nfs/dbraw/zinc/55/54/42/560555442.db2.gz	JODMCYFGIWKWIY-GOSISDBHSA-N	1	1	369.513	2.469	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)NCC(C)(C)CC#N)cc2)CC1	ZINC000457644185	560579521	/nfs/dbraw/zinc/57/95/21/560579521.db2.gz	GTVPPZPZBWSYMF-UHFFFAOYSA-N	1	1	357.502	2.173	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc(C)c(C#N)cn2)CC1	ZINC000457694831	560582240	/nfs/dbraw/zinc/58/22/40/560582240.db2.gz	RXEGUAKIOYMHHZ-UHFFFAOYSA-N	1	1	358.486	2.472	20	30		FEEDMO
CCOCC[N@H+]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)C[C@@H]1CC	ZINC000459113114	560667523	/nfs/dbraw/zinc/66/75/23/560667523.db2.gz	HQKVIWHZRUOLCI-KRWDZBQOSA-N	1	1	362.449	2.340	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCc1ccc(C#N)c(F)c1	ZINC000459132018	560668744	/nfs/dbraw/zinc/66/87/44/560668744.db2.gz	XENNCOMDORYEGK-UHFFFAOYSA-N	1	1	362.449	2.197	20	30		FEEDMO
CCNC(=O)C(C)(C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000459556887	560694090	/nfs/dbraw/zinc/69/40/90/560694090.db2.gz	BRDFPHYQMSSIBF-UHFFFAOYSA-N	1	1	350.850	2.091	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1C#N	ZINC000461232607	560764693	/nfs/dbraw/zinc/76/46/93/560764693.db2.gz	KEWAVWCAIPUVOL-STQMWFEESA-N	1	1	374.510	2.080	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1C#N	ZINC000461232607	560764694	/nfs/dbraw/zinc/76/46/94/560764694.db2.gz	KEWAVWCAIPUVOL-STQMWFEESA-N	1	1	374.510	2.080	20	30		FEEDMO
CCC[N@@H+](CC)C[C@H](C)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000461640362	560778621	/nfs/dbraw/zinc/77/86/21/560778621.db2.gz	DFMBEUIFYFTVID-AWEZNQCLSA-N	1	1	361.490	2.308	20	30		FEEDMO
N#C[C@@H]1CCC[C@@H]1NC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000461957859	560789742	/nfs/dbraw/zinc/78/97/42/560789742.db2.gz	LLCJFWBOONDNTH-PMACEKPBSA-N	1	1	369.513	2.186	20	30		FEEDMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCC[C@@H]1C#N	ZINC000461962828	560789790	/nfs/dbraw/zinc/78/97/90/560789790.db2.gz	XRMFWSTUAKBTOY-MJGOQNOKSA-N	1	1	355.486	2.142	20	30		FEEDMO
C[NH+](C)CCN1CCC(CNC(=O)C[C@H](CC#N)c2ccccc2)CC1	ZINC000476029729	561109808	/nfs/dbraw/zinc/10/98/08/561109808.db2.gz	GUVSXEUTCGDEIO-FQEVSTJZSA-N	1	1	356.514	2.464	20	30		FEEDMO
COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1	ZINC000476195195	561112914	/nfs/dbraw/zinc/11/29/14/561112914.db2.gz	BYKDKFUUOQBPIU-AEFFLSMTSA-N	1	1	357.454	2.170	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1	ZINC000528386821	562326235	/nfs/dbraw/zinc/32/62/35/562326235.db2.gz	JSUZIJVAJGMGMI-HUUCEWRRSA-N	1	1	358.360	2.341	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2cccc(F)c2)CC1	ZINC000528407533	562327355	/nfs/dbraw/zinc/32/73/55/562327355.db2.gz	QHRFTBKZLLVJEX-FQEVSTJZSA-N	1	1	369.440	2.255	20	30		FEEDMO
Cc1ccnc([C@@H]2CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)c1	ZINC000528515846	562333377	/nfs/dbraw/zinc/33/33/77/562333377.db2.gz	BDFMJBXMENKMIF-QGZVFWFLSA-N	1	1	359.429	2.479	20	30		FEEDMO
C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)o1	ZINC000528530806	562334399	/nfs/dbraw/zinc/33/43/99/562334399.db2.gz	VFTPXUPXRDVLQC-PBHICJAKSA-N	1	1	359.451	2.340	20	30		FEEDMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)o1	ZINC000528530806	562334400	/nfs/dbraw/zinc/33/44/00/562334400.db2.gz	VFTPXUPXRDVLQC-PBHICJAKSA-N	1	1	359.451	2.340	20	30		FEEDMO
CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(COC)c(C#N)c2)C[C@@H]1C	ZINC000529207432	562364726	/nfs/dbraw/zinc/36/47/26/562364726.db2.gz	FHSKJFXXLGZTRY-HNNXBMFYSA-N	1	1	360.458	2.279	20	30		FEEDMO
CCOCC[N@H+]1CCN(C(=O)Nc2ccc(COC)c(C#N)c2)C[C@@H]1C	ZINC000529207432	562364727	/nfs/dbraw/zinc/36/47/27/562364727.db2.gz	FHSKJFXXLGZTRY-HNNXBMFYSA-N	1	1	360.458	2.279	20	30		FEEDMO
CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000530233562	562403199	/nfs/dbraw/zinc/40/31/99/562403199.db2.gz	WZUUFPFTHXZKIZ-CVEARBPZSA-N	1	1	355.442	2.138	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1	ZINC000530627742	562418374	/nfs/dbraw/zinc/41/83/74/562418374.db2.gz	SDZHSYXJHCJCLP-PXNSSMCTSA-N	1	1	355.482	2.453	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000531044498	562432790	/nfs/dbraw/zinc/43/27/90/562432790.db2.gz	VZPCFZPTKAALHS-AWEZNQCLSA-N	1	1	360.483	2.089	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1	ZINC000531614813	562451686	/nfs/dbraw/zinc/45/16/86/562451686.db2.gz	ITPKCMVRODKUSU-HOTGVXAUSA-N	1	1	351.491	2.438	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1	ZINC000531614813	562451687	/nfs/dbraw/zinc/45/16/87/562451687.db2.gz	ITPKCMVRODKUSU-HOTGVXAUSA-N	1	1	351.491	2.438	20	30		FEEDMO
Cc1nc(CN2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)oc1C	ZINC000532570442	562481917	/nfs/dbraw/zinc/48/19/17/562481917.db2.gz	AFRPZFTXVAGPHV-UHFFFAOYSA-N	1	1	373.482	2.371	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000534129328	562526015	/nfs/dbraw/zinc/52/60/15/562526015.db2.gz	NHMVWZWRNPAXBN-AEFFLSMTSA-N	1	1	354.454	2.018	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000534129328	562526016	/nfs/dbraw/zinc/52/60/16/562526016.db2.gz	NHMVWZWRNPAXBN-AEFFLSMTSA-N	1	1	354.454	2.018	20	30		FEEDMO
CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(C(=O)OC)c1C#N)CC2	ZINC000535205270	562553209	/nfs/dbraw/zinc/55/32/09/562553209.db2.gz	GZHLOJZQTSNYGS-MSOLQXFVSA-N	1	1	358.438	2.097	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)OCC	ZINC000535917158	562570843	/nfs/dbraw/zinc/57/08/43/562570843.db2.gz	DFWACUIIPCOXBF-OTWHNJEPSA-N	1	1	351.535	2.375	20	30		FEEDMO
C=C(C)C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)C(=O)OC	ZINC000601781791	567839970	/nfs/dbraw/zinc/83/99/70/567839970.db2.gz	LQSBPSSICAXJCK-GOSISDBHSA-N	1	1	355.438	2.393	20	30		FEEDMO
C=C(C)C[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)C(=O)OC	ZINC000601781791	567839972	/nfs/dbraw/zinc/83/99/72/567839972.db2.gz	LQSBPSSICAXJCK-GOSISDBHSA-N	1	1	355.438	2.393	20	30		FEEDMO
C[N@H+]1CC[C@@H](CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1	ZINC000602144876	567936386	/nfs/dbraw/zinc/93/63/86/567936386.db2.gz	QLYTXLSSJSQKKE-MAUKXSAKSA-N	1	1	360.889	2.391	20	30		FEEDMO
N#C[C@H]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)C1	ZINC000602166863	567946560	/nfs/dbraw/zinc/94/65/60/567946560.db2.gz	LDUOKQHKGYSDMO-QEUVDIPISA-N	1	1	353.466	2.334	20	30		FEEDMO
COc1ccc(CN(C(=O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C2CC2)cc1	ZINC000602857929	568002876	/nfs/dbraw/zinc/00/28/76/568002876.db2.gz	XBRZXINOXJDVNT-CALCHBBNSA-N	1	1	370.497	2.104	20	30		FEEDMO
COc1ccc(CN(C(=O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C2CC2)cc1	ZINC000602857929	568002877	/nfs/dbraw/zinc/00/28/77/568002877.db2.gz	XBRZXINOXJDVNT-CALCHBBNSA-N	1	1	370.497	2.104	20	30		FEEDMO
COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CCN(CCC#N)CC1	ZINC000602747868	568022362	/nfs/dbraw/zinc/02/23/62/568022362.db2.gz	HGIXSLVUUXWVCE-UHFFFAOYSA-N	1	1	357.410	2.259	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)n1cc(C[NH2+]Cc2ccccc2)nn1	ZINC000603176262	568068031	/nfs/dbraw/zinc/06/80/31/568068031.db2.gz	NTJYVIJDVWYUPA-MRXNPFEDSA-N	1	1	366.469	2.472	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(CC(=O)NC3CCCC3)CC2)CCCCC1	ZINC000604416000	568281273	/nfs/dbraw/zinc/28/12/73/568281273.db2.gz	RVCGLIHBJRJKTB-UHFFFAOYSA-N	1	1	374.529	2.490	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1	ZINC000604521756	568308244	/nfs/dbraw/zinc/30/82/44/568308244.db2.gz	XPWPPPIPNRSYAC-SZMVWBNQSA-N	1	1	359.470	2.486	20	30		FEEDMO
N#Cc1cc(N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)ncn1	ZINC000569301929	568346621	/nfs/dbraw/zinc/34/66/21/568346621.db2.gz	WSYSLGMHULKLGW-UHFFFAOYSA-N	1	1	367.844	2.362	20	30		FEEDMO
N#Cc1cc(N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)ncn1	ZINC000569301929	568346622	/nfs/dbraw/zinc/34/66/22/568346622.db2.gz	WSYSLGMHULKLGW-UHFFFAOYSA-N	1	1	367.844	2.362	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1	ZINC000569337376	568395199	/nfs/dbraw/zinc/39/51/99/568395199.db2.gz	XOGFXBUTMWOHIX-LLVKDONJSA-N	1	1	352.847	2.331	20	30		FEEDMO
CC(C)CC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1-c1nn[nH]n1	ZINC000820076665	599639804	/nfs/dbraw/zinc/63/98/04/599639804.db2.gz	QOJYFMZNMATVPO-UHFFFAOYSA-N	1	1	355.446	2.457	20	30		FEEDMO
C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000557823586	674468710	/nfs/dbraw/zinc/46/87/10/674468710.db2.gz	DMADMGJPZVAZBZ-NSHDSACASA-N	1	1	372.288	2.035	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000557823586	674468711	/nfs/dbraw/zinc/46/87/11/674468711.db2.gz	DMADMGJPZVAZBZ-NSHDSACASA-N	1	1	372.288	2.035	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000558241796	674489308	/nfs/dbraw/zinc/48/93/08/674489308.db2.gz	MHIPFHMTMWNWRA-LBPRGKRZSA-N	1	1	350.850	2.387	20	30		FEEDMO
Cc1cc(N2CCC([NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)nc(C)[nH+]1	ZINC000832889470	601307928	/nfs/dbraw/zinc/30/79/28/601307928.db2.gz	PRIKFDOVPBJLQI-IBGZPJMESA-N	1	1	365.437	2.349	20	30		FEEDMO
N#Cc1nc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1C(F)(F)F	ZINC000558570438	674503888	/nfs/dbraw/zinc/50/38/88/674503888.db2.gz	KKRCIOWVDWNOMO-ZFWWWQNUSA-N	1	1	354.376	3.027	20	30		FEEDMO
C=CCOCC[NH+]1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1	ZINC000559049137	674525689	/nfs/dbraw/zinc/52/56/89/674525689.db2.gz	CZFUIIGMBRRJLP-QGZVFWFLSA-N	1	1	352.862	2.374	20	30		FEEDMO
C[C@@H](CC#N)[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2	ZINC000820220281	606660401	/nfs/dbraw/zinc/66/04/01/606660401.db2.gz	QBJMHSJVSHKAKM-NSHDSACASA-N	1	1	373.486	2.370	20	30		FEEDMO
C[C@@H](CC#N)[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2	ZINC000820220281	606660402	/nfs/dbraw/zinc/66/04/02/606660402.db2.gz	QBJMHSJVSHKAKM-NSHDSACASA-N	1	1	373.486	2.370	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)C(C)(C)C	ZINC000811993512	674645554	/nfs/dbraw/zinc/64/55/54/674645554.db2.gz	UXSXKJMRQFNRJZ-WBVHZDCISA-N	1	1	362.543	2.384	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C)cs3)C[C@@H]2C1	ZINC001048827067	675015973	/nfs/dbraw/zinc/01/59/73/675015973.db2.gz	VHTARTGQRGSOIC-TWMKSMIVSA-N	1	1	361.511	2.323	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(Cc2ccc(Br)cc2C#N)[C@H](C)C1	ZINC000565098185	675094477	/nfs/dbraw/zinc/09/44/77/675094477.db2.gz	JEWCAWRZGAATRR-OLZOCXBDSA-N	1	1	352.276	2.208	20	30		FEEDMO
CC(C)CO[C@H](C)c1noc(CON=C(N)C[N@@H+]2CCCC[C@@H]2C)n1	ZINC000072920526	670498759	/nfs/dbraw/zinc/49/87/59/670498759.db2.gz	KNZJPUJSMUVXTN-UONOGXRCSA-N	1	1	353.467	2.466	20	30		FEEDMO
CC(C)CO[C@H](C)c1noc(CON=C(N)C[N@H+]2CCCC[C@@H]2C)n1	ZINC000072920526	670498761	/nfs/dbraw/zinc/49/87/61/670498761.db2.gz	KNZJPUJSMUVXTN-UONOGXRCSA-N	1	1	353.467	2.466	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)nn1	ZINC000569962019	670640888	/nfs/dbraw/zinc/64/08/88/670640888.db2.gz	NWQVAYCNUQNSSZ-GFCCVEGCSA-N	1	1	357.241	2.300	20	30		FEEDMO
C=C(Br)CNC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C	ZINC000115811551	670899776	/nfs/dbraw/zinc/89/97/76/670899776.db2.gz	GYMMZULVWUOCPZ-TZMCWYRMSA-N	1	1	362.312	2.331	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1ccccc1Cl	ZINC000572819711	671048023	/nfs/dbraw/zinc/04/80/23/671048023.db2.gz	YZTBFPBWLHUDDC-UHFFFAOYSA-N	1	1	360.849	2.410	20	30		FEEDMO
COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCOCCC#N)CC1	ZINC000575877575	671328058	/nfs/dbraw/zinc/32/80/58/671328058.db2.gz	DJILJEBROQGIGK-QGZVFWFLSA-N	1	1	365.861	2.102	20	30		FEEDMO
Cc1cc(CNS(=O)(=O)c2ccc(C#N)s2)cc(N2CCCC2)[nH+]1	ZINC000578581874	671675002	/nfs/dbraw/zinc/67/50/02/671675002.db2.gz	KBUIOQYQGPQHJR-UHFFFAOYSA-N	1	1	362.480	2.402	20	30		FEEDMO
C[C@@H]1C[C@H]1[N@H+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H](C)C1	ZINC000583358341	672087007	/nfs/dbraw/zinc/08/70/07/672087007.db2.gz	RVHDSUPDPQOKJF-MUIFIZLQSA-N	1	1	358.511	2.387	20	30		FEEDMO
CC(C)CN(CC(F)(F)F)C(=O)CON=C(N)C[N@H+]1CCCC[C@H]1C	ZINC000151533895	672164601	/nfs/dbraw/zinc/16/46/01/672164601.db2.gz	NJCBXKWQJSCRPL-CYBMUJFWSA-N	1	1	366.428	2.197	20	30		FEEDMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)NC1(C#N)CCCCC1	ZINC000171955184	672337887	/nfs/dbraw/zinc/33/78/87/672337887.db2.gz	PHIDZYFUEZBNIV-AWEZNQCLSA-N	1	1	352.479	2.174	20	30		FEEDMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1	ZINC000171955184	672337890	/nfs/dbraw/zinc/33/78/90/672337890.db2.gz	PHIDZYFUEZBNIV-AWEZNQCLSA-N	1	1	352.479	2.174	20	30		FEEDMO
C[C@H](CNC(=O)C#Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1	ZINC000187925262	672579918	/nfs/dbraw/zinc/57/99/18/672579918.db2.gz	CXBCWIVIYXJGDE-CQSZACIVSA-N	1	1	354.372	2.141	20	30		FEEDMO
CC[C@@H]1CN(c2ncc(Br)cc2C#N)C[C@@H]1[NH+]1CCOCC1	ZINC000590694770	672603110	/nfs/dbraw/zinc/60/31/10/672603110.db2.gz	SWYJTDCRGXRSNB-DOMZBBRYSA-N	1	1	365.275	2.263	20	30		FEEDMO
C=CC[N@@H+](C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000190046202	672629623	/nfs/dbraw/zinc/62/96/23/672629623.db2.gz	QCNDGZTZDYAJOO-QAPCUYQASA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CC[N@H+](C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000190046202	672629631	/nfs/dbraw/zinc/62/96/31/672629631.db2.gz	QCNDGZTZDYAJOO-QAPCUYQASA-N	1	1	372.531	2.309	20	30		FEEDMO
COc1nc(C)cc(C)c1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000591737135	672706579	/nfs/dbraw/zinc/70/65/79/672706579.db2.gz	XZNZSIUNGDGSBS-UHFFFAOYSA-N	1	1	359.451	2.142	20	30		FEEDMO
CCCCn1cc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c(C)n1	ZINC000591758265	672708591	/nfs/dbraw/zinc/70/85/91/672708591.db2.gz	OOBZQAIXSNDBBK-UHFFFAOYSA-N	1	1	360.483	2.427	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000682157865	672738440	/nfs/dbraw/zinc/73/84/40/672738440.db2.gz	SNLIXNZMGFLJJE-WSTZPKSXSA-N	1	1	351.535	2.232	20	30		FEEDMO
C=CC[N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000246032664	672828334	/nfs/dbraw/zinc/82/83/34/672828334.db2.gz	PBYRKIVWURMOML-HOTGVXAUSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CC[N@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000246032664	672828338	/nfs/dbraw/zinc/82/83/38/672828338.db2.gz	PBYRKIVWURMOML-HOTGVXAUSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=C(Br)CNC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000246504771	672838136	/nfs/dbraw/zinc/83/81/36/672838136.db2.gz	ULACSXVGPJQZLR-HZSPNIEDSA-N	1	1	360.296	2.178	20	30		FEEDMO
C=C(Br)CNC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000246504771	672838139	/nfs/dbraw/zinc/83/81/39/672838139.db2.gz	ULACSXVGPJQZLR-HZSPNIEDSA-N	1	1	360.296	2.178	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1	ZINC000247406461	672849541	/nfs/dbraw/zinc/84/95/41/672849541.db2.gz	RJWODRFSORMTNX-CXAGYDPISA-N	1	1	357.845	2.246	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1	ZINC000247406461	672849543	/nfs/dbraw/zinc/84/95/43/672849543.db2.gz	RJWODRFSORMTNX-CXAGYDPISA-N	1	1	357.845	2.246	20	30		FEEDMO
COCCOCC[NH+]1CCN(c2ccc(Br)cc2C#N)CC1	ZINC000593518605	672932372	/nfs/dbraw/zinc/93/23/72/672932372.db2.gz	TYTJKJCYAGGONI-UHFFFAOYSA-N	1	1	368.275	2.106	20	30		FEEDMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC1CCCCCC1	ZINC000329252931	673074300	/nfs/dbraw/zinc/07/43/00/673074300.db2.gz	YVXGSGDCRXRPMY-KRWDZBQOSA-N	1	1	351.491	2.379	20	30		FEEDMO
CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC	ZINC000329391769	673076826	/nfs/dbraw/zinc/07/68/26/673076826.db2.gz	VNXPGGZGPJXDCX-JKSUJKDBSA-N	1	1	359.536	2.412	20	30		FEEDMO
COCc1cccc2sc(=NC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)[nH]c21	ZINC000329601606	673080011	/nfs/dbraw/zinc/08/00/11/673080011.db2.gz	QHZCRPJXSSBUFZ-CYBMUJFWSA-N	1	1	363.487	2.014	20	30		FEEDMO
Cc1nc(CN2CCCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cs1	ZINC000329798021	673083364	/nfs/dbraw/zinc/08/33/64/673083364.db2.gz	GFSZUBGRZKQMRW-GOEBONIOSA-N	1	1	365.547	2.356	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCSC1	ZINC000330205327	673087224	/nfs/dbraw/zinc/08/72/24/673087224.db2.gz	DJDXQOYINDQPJP-IEBWSBKVSA-N	1	1	363.527	2.365	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1	ZINC000594483769	673087815	/nfs/dbraw/zinc/08/78/15/673087815.db2.gz	PIKCVEHWEGXRQD-DLBZAZTESA-N	1	1	351.447	2.134	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N(C[C@@H](c2ccccc2Cl)[NH+](C)C)C1=O	ZINC000348459985	673115319	/nfs/dbraw/zinc/11/53/19/673115319.db2.gz	KJCAQMKILWIQJU-CABCVRRESA-N	1	1	351.834	2.066	20	30		FEEDMO
Cc1ccc(C2CC(=NNC(=S)NCCC[NH+]3CCOCC3)C2)cc1	ZINC000729817288	673249754	/nfs/dbraw/zinc/24/97/54/673249754.db2.gz	XUBQQNIMZGKKRW-UHFFFAOYSA-N	1	1	360.527	2.415	20	30		FEEDMO
C=CCSCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000595492807	673257538	/nfs/dbraw/zinc/25/75/38/673257538.db2.gz	NCGOOAAYDSTQBR-GOSISDBHSA-N	1	1	362.543	2.021	20	30		FEEDMO
C=CCSCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1	ZINC000595492807	673257540	/nfs/dbraw/zinc/25/75/40/673257540.db2.gz	NCGOOAAYDSTQBR-GOSISDBHSA-N	1	1	362.543	2.021	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@](C)(C(F)F)O1	ZINC000595922971	673340628	/nfs/dbraw/zinc/34/06/28/673340628.db2.gz	UGEGIOHYZMBCJP-DDUZABMNSA-N	1	1	354.397	2.237	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C[C@](C)(C(F)F)O1	ZINC000595922971	673340632	/nfs/dbraw/zinc/34/06/32/673340632.db2.gz	UGEGIOHYZMBCJP-DDUZABMNSA-N	1	1	354.397	2.237	20	30		FEEDMO
COc1ccc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1OCCCC#N	ZINC000536663078	673374517	/nfs/dbraw/zinc/37/45/17/673374517.db2.gz	VCJRQJINSPCQKD-INIZCTEOSA-N	1	1	366.483	2.244	20	30		FEEDMO
COc1ccc(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1OCCCC#N	ZINC000536663078	673374519	/nfs/dbraw/zinc/37/45/19/673374519.db2.gz	VCJRQJINSPCQKD-INIZCTEOSA-N	1	1	366.483	2.244	20	30		FEEDMO
C#CC[N@H+](CCC(=O)NC)[C@H]1CCOc2ccc(Br)cc21	ZINC000733196384	673402916	/nfs/dbraw/zinc/40/29/16/673402916.db2.gz	CTIRBSVYZKTCCR-AWEZNQCLSA-N	1	1	351.244	2.344	20	30		FEEDMO
C[N@@H+](CC(=O)NC1(c2cccc(C#N)c2)CCOCC1)[C@H]1CCSC1	ZINC000598250937	673552235	/nfs/dbraw/zinc/55/22/35/673552235.db2.gz	YFCISYRPARPPCP-KRWDZBQOSA-N	1	1	359.495	2.117	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1	ZINC000598341835	673561434	/nfs/dbraw/zinc/56/14/34/673561434.db2.gz	GUAJIIXNFBBVPS-GFCCVEGCSA-N	1	1	366.259	2.300	20	30		FEEDMO
Cc1cc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)on1	ZINC000598605448	673588839	/nfs/dbraw/zinc/58/88/39/673588839.db2.gz	AQZIJTYKNCYJCW-JYJNAYRXSA-N	1	1	352.454	2.128	20	30		FEEDMO
N#Cc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1	ZINC000542693183	673597800	/nfs/dbraw/zinc/59/78/00/673597800.db2.gz	YVYDOKIYLZPNBD-UHFFFAOYSA-N	1	1	363.370	2.169	20	30		FEEDMO
COCC[N@@H+](Cc1scnc1C)C[C@H](O)COc1ccccc1C#N	ZINC000599397203	673669407	/nfs/dbraw/zinc/66/94/07/673669407.db2.gz	WMUGOPUBPTVMKU-INIZCTEOSA-N	1	1	361.467	2.212	20	30		FEEDMO
COCC[N@H+](Cc1scnc1C)C[C@H](O)COc1ccccc1C#N	ZINC000599397203	673669410	/nfs/dbraw/zinc/66/94/10/673669410.db2.gz	WMUGOPUBPTVMKU-INIZCTEOSA-N	1	1	361.467	2.212	20	30		FEEDMO
C[C@H](C(=O)OC(C)(C)C)[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000599437202	673675656	/nfs/dbraw/zinc/67/56/56/673675656.db2.gz	PLDIFBZXHHSUCW-GDBMZVCRSA-N	1	1	352.475	2.252	20	30		FEEDMO
C[C@H](C(=O)OC(C)(C)C)[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C1CC1	ZINC000599437202	673675658	/nfs/dbraw/zinc/67/56/58/673675658.db2.gz	PLDIFBZXHHSUCW-GDBMZVCRSA-N	1	1	352.475	2.252	20	30		FEEDMO
CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599501497	673685267	/nfs/dbraw/zinc/68/52/67/673685267.db2.gz	YOQOJXDVKNFFRY-QAPCUYQASA-N	1	1	352.475	2.254	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C1	ZINC000547472577	673854439	/nfs/dbraw/zinc/85/44/39/673854439.db2.gz	DVZITMSPTRYJSW-KRWDZBQOSA-N	1	1	353.532	2.454	20	30		FEEDMO
CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000601445501	673863663	/nfs/dbraw/zinc/86/36/63/673863663.db2.gz	DEPQOHWSJCUTCG-AWEZNQCLSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cnc3ncc(Br)cc3c2)CC1	ZINC000614828915	676193222	/nfs/dbraw/zinc/19/32/22/676193222.db2.gz	YIKNPPSWZMVIQO-UHFFFAOYSA-N	1	1	374.242	2.110	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)c(C#N)c1C	ZINC000602894215	673913295	/nfs/dbraw/zinc/91/32/95/673913295.db2.gz	ZCMXQFSSUIQIOS-CQSZACIVSA-N	1	1	358.471	2.494	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](n3ccnn3)CC2)c(C#N)c1C	ZINC000602894215	673913296	/nfs/dbraw/zinc/91/32/96/673913296.db2.gz	ZCMXQFSSUIQIOS-CQSZACIVSA-N	1	1	358.471	2.494	20	30		FEEDMO
Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)cn1	ZINC000602942190	673914395	/nfs/dbraw/zinc/91/43/95/673914395.db2.gz	LKRXFAMOAOTBOB-INIZCTEOSA-N	1	1	357.845	2.340	20	30		FEEDMO
Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Cl)cn1	ZINC000602942190	673914397	/nfs/dbraw/zinc/91/43/97/673914397.db2.gz	LKRXFAMOAOTBOB-INIZCTEOSA-N	1	1	357.845	2.340	20	30		FEEDMO
C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@H](C)[N@H+]1CCO	ZINC000566482112	675218082	/nfs/dbraw/zinc/21/80/82/675218082.db2.gz	KKVNQGVNMLEPHR-PHIMTYICSA-N	1	1	356.239	2.351	20	30		FEEDMO
C[C@@H]1CN(c2cc(Br)c(C#N)cc2F)C[C@H](C)[N@@H+]1CCO	ZINC000566482112	675218084	/nfs/dbraw/zinc/21/80/84/675218084.db2.gz	KKVNQGVNMLEPHR-PHIMTYICSA-N	1	1	356.239	2.351	20	30		FEEDMO
CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](C)C1	ZINC000819313669	675280490	/nfs/dbraw/zinc/28/04/90/675280490.db2.gz	JKNLTSCNTCPMME-HUUCEWRRSA-N	1	1	352.479	2.126	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819931964	675325354	/nfs/dbraw/zinc/32/53/54/675325354.db2.gz	YHRUQZLDYOWPIY-HUUCEWRRSA-N	1	1	352.479	2.174	20	30		FEEDMO
C=CCCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1	ZINC000658389192	678082292	/nfs/dbraw/zinc/08/22/92/678082292.db2.gz	RJDZHTISRHNAOM-UHFFFAOYSA-N	1	1	354.248	2.142	20	30		FEEDMO
C=C(C)COc1cc(C[NH+]2CCC(NS(C)(=O)=O)CC2)ccc1OC	ZINC000678130278	679716875	/nfs/dbraw/zinc/71/68/75/679716875.db2.gz	SZIRCHGKBQGRRO-UHFFFAOYSA-N	1	1	368.499	2.164	20	30		FEEDMO
CC#CC[C@H](CO)[NH2+]Cc1ncc(Br)cc1Br	ZINC000641766878	677215264	/nfs/dbraw/zinc/21/52/64/677215264.db2.gz	CUNDYZMNLSOFCU-SNVBAGLBSA-N	1	1	362.065	2.471	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@]1(Cc2ccc(Cl)cc2)CCOC1	ZINC000838621858	680706528	/nfs/dbraw/zinc/70/65/28/680706528.db2.gz	GUHMPHWOPLGQOF-IBGZPJMESA-N	1	1	363.889	2.296	20	30		FEEDMO
CCOC(=O)CC(C)(C)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N	ZINC000839012264	680732716	/nfs/dbraw/zinc/73/27/16/680732716.db2.gz	XXXKHUFIWPHIRG-UONOGXRCSA-N	1	1	353.463	2.314	20	30		FEEDMO
C[N@@H+](CCNC(=O)OC(C)(C)C)CCC(=O)Nc1sccc1C#N	ZINC000839133828	680740445	/nfs/dbraw/zinc/74/04/45/680740445.db2.gz	CKYZZELBVSQFHR-UHFFFAOYSA-N	1	1	352.460	2.405	20	30		FEEDMO
C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCN(C(=O)OCC)CC1	ZINC000839455420	680753545	/nfs/dbraw/zinc/75/35/45/680753545.db2.gz	FEPQXWXRGPITRU-HNNXBMFYSA-N	1	1	365.499	2.425	20	30		FEEDMO
C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCN(C(=O)OCC)CC1	ZINC000839455420	680753547	/nfs/dbraw/zinc/75/35/47/680753547.db2.gz	FEPQXWXRGPITRU-HNNXBMFYSA-N	1	1	365.499	2.425	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](Cn2ccnn2)C1	ZINC000661142566	678440657	/nfs/dbraw/zinc/44/06/57/678440657.db2.gz	WXJFSSHACCDCRF-JKSUJKDBSA-N	1	1	359.499	2.265	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCN3C(=O)OCC[C@H]3C2)cc1Cl	ZINC000764446463	680809449	/nfs/dbraw/zinc/80/94/49/680809449.db2.gz	IGPNDYWOSMHABB-AWEZNQCLSA-N	1	1	362.817	2.067	20	30		FEEDMO
C=C(CO)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC000840573593	680832644	/nfs/dbraw/zinc/83/26/44/680832644.db2.gz	ZXDZZYKUOGQAEG-UHFFFAOYSA-N	1	1	353.260	2.078	20	30		FEEDMO
FC(F)O[C@H]1CCCN(CC#CC[N@@H+]2CCC[C@H](OC(F)F)C2)C1	ZINC000671243042	679318466	/nfs/dbraw/zinc/31/84/66/679318466.db2.gz	LKGOOZOKCRNQSM-KBPBESRZSA-N	1	1	352.372	2.397	20	30		FEEDMO
FC(F)O[C@H]1CCCN(CC#CC[N@H+]2CCC[C@H](OC(F)F)C2)C1	ZINC000671243042	679318467	/nfs/dbraw/zinc/31/84/67/679318467.db2.gz	LKGOOZOKCRNQSM-KBPBESRZSA-N	1	1	352.372	2.397	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC2CCOCC2)C1	ZINC001008584695	679918739	/nfs/dbraw/zinc/91/87/39/679918739.db2.gz	XSZGRHSHNAMLDA-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=CCCCC(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000748241011	679945316	/nfs/dbraw/zinc/94/53/16/679945316.db2.gz	XRZYBOPFYDHOPH-UHFFFAOYSA-N	1	1	352.475	2.037	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1	ZINC001015721676	680049516	/nfs/dbraw/zinc/04/95/16/680049516.db2.gz	MVBKZRXJNRSKDH-OTWHNJEPSA-N	1	1	358.869	2.473	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1	ZINC001015721676	680049521	/nfs/dbraw/zinc/04/95/21/680049521.db2.gz	MVBKZRXJNRSKDH-OTWHNJEPSA-N	1	1	358.869	2.473	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1	ZINC001015721955	680049777	/nfs/dbraw/zinc/04/97/77/680049777.db2.gz	PMSDHBADWKRUCW-OTWHNJEPSA-N	1	1	358.869	2.473	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1	ZINC001015721955	680049779	/nfs/dbraw/zinc/04/97/79/680049779.db2.gz	PMSDHBADWKRUCW-OTWHNJEPSA-N	1	1	358.869	2.473	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@@]3(NC(=O)[C@]45C[C@H]4COC5)CCC[C@@H]23)s1	ZINC000990821182	680075192	/nfs/dbraw/zinc/07/51/92/680075192.db2.gz	XXXKKGVKIOGNGJ-BIGGFVEDSA-N	1	1	357.479	2.269	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CC2CCOCC2)CC1(C)C	ZINC000977311072	680160055	/nfs/dbraw/zinc/16/00/55/680160055.db2.gz	BQTRFGLBPWITCO-BZSNNMDCSA-N	1	1	350.503	2.221	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@H]21	ZINC000978714026	680179136	/nfs/dbraw/zinc/17/91/36/680179136.db2.gz	FCNVIGULUBBNKM-MTSZKFMLSA-N	1	1	361.873	2.120	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@H]21	ZINC000978714026	680179140	/nfs/dbraw/zinc/17/91/40/680179140.db2.gz	FCNVIGULUBBNKM-MTSZKFMLSA-N	1	1	361.873	2.120	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)c(C)s3)C[C@H]21	ZINC000978709622	680179270	/nfs/dbraw/zinc/17/92/70/680179270.db2.gz	AXQGSNRMCXQRQQ-MTSZKFMLSA-N	1	1	361.511	2.145	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccns3)C[C@H]21	ZINC000978838091	680181605	/nfs/dbraw/zinc/18/16/05/680181605.db2.gz	YPHDKYNKZUYOOG-TXTZMMAHSA-N	1	1	361.511	2.308	20	30		FEEDMO
COC(=O)C1(C#N)CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1	ZINC000834201814	680206033	/nfs/dbraw/zinc/20/60/33/680206033.db2.gz	POXGEGIIDBNUHT-HNNXBMFYSA-N	1	1	363.845	2.248	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](CCC[C@H]2CCOC2)CC1	ZINC000981189663	680219621	/nfs/dbraw/zinc/21/96/21/680219621.db2.gz	BEFIIQLKUXHYIF-OTWHNJEPSA-N	1	1	350.503	2.319	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H](O)C2CCCCC2)CC1	ZINC000981994921	680261235	/nfs/dbraw/zinc/26/12/35/680261235.db2.gz	WCLXDSRIHIJOGJ-QRVBRYPASA-N	1	1	350.503	2.053	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](C[C@@H](CC)OC)C2	ZINC000982064848	680265621	/nfs/dbraw/zinc/26/56/21/680265621.db2.gz	ZFQUUROFJDRERT-SQNIBIBYSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(Br)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@]34C[C@H]3COC4)C[C@@]2(C)C1	ZINC000982286358	680274875	/nfs/dbraw/zinc/27/48/75/680274875.db2.gz	JILUIYBKOMNXTH-LLLHUVSDSA-N	1	1	369.303	2.102	20	30		FEEDMO
C=C(Br)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@]34C[C@H]3COC4)C[C@@]2(C)C1	ZINC000982286358	680274878	/nfs/dbraw/zinc/27/48/78/680274878.db2.gz	JILUIYBKOMNXTH-LLLHUVSDSA-N	1	1	369.303	2.102	20	30		FEEDMO
FC(F)Oc1cc2c(cc1C=NNC1=[NH+][C@H]3CCCC[C@@H]3N1)OCO2	ZINC000753927484	680325001	/nfs/dbraw/zinc/32/50/01/680325001.db2.gz	CEPHSPKWLYHHMY-QWRGUYRKSA-N	1	1	352.341	2.211	20	30		FEEDMO
CCN(CC)S(=O)(=O)c1ccc(N=NC2C[N@H+](C(C)C)C[C@H]2C)nc1	ZINC000754257313	680345887	/nfs/dbraw/zinc/34/58/87/680345887.db2.gz	HTQOEHVGTGHYNZ-CQSZACIVSA-N	1	1	367.519	2.240	20	30		FEEDMO
C=C(CC)CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000836036816	680413969	/nfs/dbraw/zinc/41/39/69/680413969.db2.gz	XWORVRUCSPBIQV-UHFFFAOYSA-N	1	1	364.877	2.113	20	30		FEEDMO
CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1	ZINC001033163939	680419879	/nfs/dbraw/zinc/41/98/79/680419879.db2.gz	WCZIHDLFXKNRRQ-APHBMKBZSA-N	1	1	355.467	2.179	20	30		FEEDMO
CN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC001033163939	680419882	/nfs/dbraw/zinc/41/98/82/680419882.db2.gz	WCZIHDLFXKNRRQ-APHBMKBZSA-N	1	1	355.467	2.179	20	30		FEEDMO
C=C(Br)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC000985546853	680457975	/nfs/dbraw/zinc/45/79/75/680457975.db2.gz	SICKBHGIFADXDI-LEOABGAYSA-N	1	1	369.303	2.241	20	30		FEEDMO
C=C(Br)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC000985546853	680457976	/nfs/dbraw/zinc/45/79/76/680457976.db2.gz	SICKBHGIFADXDI-LEOABGAYSA-N	1	1	369.303	2.241	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1	ZINC000836379761	680460751	/nfs/dbraw/zinc/46/07/51/680460751.db2.gz	QUCYXHSGHOJNMC-CQSZACIVSA-N	1	1	366.868	2.312	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC1CCC(C(=O)OC(C)(C)C)CC1	ZINC000836381472	680461006	/nfs/dbraw/zinc/46/10/06/680461006.db2.gz	FCAPBUYOHZBQTG-UHFFFAOYSA-N	1	1	351.491	2.141	20	30		FEEDMO
C=C(Br)CN1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1	ZINC001001418847	680461398	/nfs/dbraw/zinc/46/13/98/680461398.db2.gz	NQLWDQPHUMDHOX-UKRRQHHQSA-N	1	1	358.324	2.063	20	30		FEEDMO
C#C[C@H](NC(=O)NCC[N@H+]1CCCOCC1)c1ccc(Cl)cc1F	ZINC000836454064	680471697	/nfs/dbraw/zinc/47/16/97/680471697.db2.gz	OMXVCVIZTAIIKH-INIZCTEOSA-N	1	1	353.825	2.175	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)C[C@H]2CCCOC2)CC1	ZINC000985698129	680471819	/nfs/dbraw/zinc/47/18/19/680471819.db2.gz	YRYNTYOPGLYERT-NEWSRXKRSA-N	1	1	350.503	2.317	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2snc(C)c2C#N)C1	ZINC001043577907	680588716	/nfs/dbraw/zinc/58/87/16/680588716.db2.gz	WPBPNXYDCVRXAA-DAXOMENPSA-N	1	1	361.515	2.456	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1Nc1nc(C#N)c(Cl)s1	ZINC001043585114	680589581	/nfs/dbraw/zinc/58/95/81/680589581.db2.gz	NAIXUIAMXRBBKE-ZWNOBZJWSA-N	1	1	367.906	2.411	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2	ZINC001006290884	680601870	/nfs/dbraw/zinc/60/18/70/680601870.db2.gz	YIOYASBOCLZRMG-MIGQKNRLSA-N	1	1	367.921	2.355	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1OCCO[C@H]1C)C2	ZINC001045945531	680642097	/nfs/dbraw/zinc/64/20/97/680642097.db2.gz	UZWVGDNKMIHDOZ-XYJFISCASA-N	1	1	356.894	2.247	20	30		FEEDMO
C#CCN(CC#CC)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000759327229	680642250	/nfs/dbraw/zinc/64/22/50/680642250.db2.gz	JGQUACZPCDJOBQ-IBGZPJMESA-N	1	1	355.507	2.272	20	30		FEEDMO
C#CCN(CC#CC)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000759327229	680642255	/nfs/dbraw/zinc/64/22/55/680642255.db2.gz	JGQUACZPCDJOBQ-IBGZPJMESA-N	1	1	355.507	2.272	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCOC)C2)C1	ZINC001045974150	680642470	/nfs/dbraw/zinc/64/24/70/680642470.db2.gz	ZILIRRGSMVCMCK-BJLQDIEVSA-N	1	1	350.503	2.319	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1O	ZINC001047385253	680661891	/nfs/dbraw/zinc/66/18/91/680661891.db2.gz	FCCODSVGQUAWCB-XWSJACJDSA-N	1	1	350.503	2.051	20	30		FEEDMO
C[C@@H]1C(=NNC(=S)NCCC[NH+]2CCOCC2)C[C@@H]1c1ccccc1	ZINC000767755945	680925074	/nfs/dbraw/zinc/92/50/74/680925074.db2.gz	WTJCNLTXDMSISB-RDJZCZTQSA-N	1	1	360.527	2.352	20	30		FEEDMO
C=C(Br)CN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001049481248	681032649	/nfs/dbraw/zinc/03/26/49/681032649.db2.gz	HVZDNAOJMITBMJ-WCVJEAGWSA-N	1	1	370.335	2.301	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)[C@]23C[C@H]2COC3)s1	ZINC001049492397	681033377	/nfs/dbraw/zinc/03/33/77/681033377.db2.gz	UNQNKYYFNPWQSM-KUZCPNRJSA-N	1	1	357.479	2.222	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=C)Br)CC2	ZINC001050670973	681053466	/nfs/dbraw/zinc/05/34/66/681053466.db2.gz	XXWFVYRJAWJKTI-CABCVRRESA-N	1	1	369.303	2.411	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1	ZINC000844360524	681053900	/nfs/dbraw/zinc/05/39/00/681053900.db2.gz	QSVHPPMVJARHAR-DOXZYTNZSA-N	1	1	351.491	2.304	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC1CCCCC1	ZINC001050925432	681058339	/nfs/dbraw/zinc/05/83/39/681058339.db2.gz	QRIUPSZHYYTUJT-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CC1CCCCC1	ZINC001050925432	681058342	/nfs/dbraw/zinc/05/83/42/681058342.db2.gz	QRIUPSZHYYTUJT-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001052492914	681079467	/nfs/dbraw/zinc/07/94/67/681079467.db2.gz	INHNCIYHWJXTCI-UPJWGTAASA-N	1	1	370.799	2.056	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@H](Nc3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001057771172	681164231	/nfs/dbraw/zinc/16/42/31/681164231.db2.gz	WJRXEEWFCCJYFU-GRYCIOLGSA-N	1	1	367.906	2.411	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001058257859	681169615	/nfs/dbraw/zinc/16/96/15/681169615.db2.gz	HPFCBYPNVSXABJ-IJLUTSLNSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)NCC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC001059732112	681183951	/nfs/dbraw/zinc/18/39/51/681183951.db2.gz	JYAGNCNRLJQWFN-VNQPRFMTSA-N	1	1	369.937	2.460	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@H](CC#N)C(F)(F)F)[C@@H](C)C1	ZINC000932919449	681328291	/nfs/dbraw/zinc/32/82/91/681328291.db2.gz	ISOQYGBMTKINNT-MELADBBJSA-N	1	1	364.412	2.267	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@@H]1CCCO1	ZINC000775794938	681335776	/nfs/dbraw/zinc/33/57/76/681335776.db2.gz	UDNNVCWTEOASHB-CVEARBPZSA-N	1	1	354.372	2.348	20	30		FEEDMO
CC[C@H]1C(=O)NCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000933227538	681378200	/nfs/dbraw/zinc/37/82/00/681378200.db2.gz	HJCQGLCYNFTAJH-AWEZNQCLSA-N	1	1	360.483	2.038	20	30		FEEDMO
C[N@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1(C)C	ZINC000848035370	681465862	/nfs/dbraw/zinc/46/58/62/681465862.db2.gz	SVAGBXNFEDDXDK-AWEZNQCLSA-N	1	1	352.479	2.126	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOc2cccc(Br)c2C1	ZINC000848316972	681513546	/nfs/dbraw/zinc/51/35/46/681513546.db2.gz	GJZFFQMMRKYADX-HNNXBMFYSA-N	1	1	363.255	2.268	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOc2cccc(Br)c2C1	ZINC000848316972	681513551	/nfs/dbraw/zinc/51/35/51/681513551.db2.gz	GJZFFQMMRKYADX-HNNXBMFYSA-N	1	1	363.255	2.268	20	30		FEEDMO
COc1ccccc1[C@H](CNS(=O)(=O)CC(C)(C)C#N)[NH+]1CCCC1	ZINC000777817489	681534338	/nfs/dbraw/zinc/53/43/38/681534338.db2.gz	JZTXBSFZLLQXQA-INIZCTEOSA-N	1	1	365.499	2.301	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@@H]2CCCCO2)C1	ZINC000952433322	681784476	/nfs/dbraw/zinc/78/44/76/681784476.db2.gz	XAINNVBHJMRDIE-FHWLQOOXSA-N	1	1	350.503	2.460	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(CC)s1	ZINC000960140281	682029683	/nfs/dbraw/zinc/02/96/83/682029683.db2.gz	WTBVLNIJEPJKLW-ZNMIVQPWSA-N	1	1	364.515	2.162	20	30		FEEDMO
C=CCSCCNC(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000915205025	685513101	/nfs/dbraw/zinc/51/31/01/685513101.db2.gz	LFKOWYMYVCNRJS-XLMAVXFVSA-N	1	1	355.548	2.075	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C(C)(C)C1	ZINC000940912011	682087069	/nfs/dbraw/zinc/08/70/69/682087069.db2.gz	MBLWRKCQBPVUHV-FMKPAKJESA-N	1	1	350.894	2.493	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)C(C)(C)C1	ZINC000940912011	682087079	/nfs/dbraw/zinc/08/70/79/682087079.db2.gz	MBLWRKCQBPVUHV-FMKPAKJESA-N	1	1	350.894	2.493	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3scnc3C)C[C@H]21	ZINC000962024417	682107293	/nfs/dbraw/zinc/10/72/93/682107293.db2.gz	OZUWCQQGGMFPSW-DTJSUFBGSA-N	1	1	361.511	2.022	20	30		FEEDMO
C(=[NH+]N1CCOCC1)c1sc(N2CCOCC2)nc1-c1ccccc1	ZINC000916289845	685523277	/nfs/dbraw/zinc/52/32/77/685523277.db2.gz	QNLZCUQGUKKXLP-UHFFFAOYSA-N	1	1	358.467	2.313	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C3CC3)s2)C1	ZINC000968718873	682242351	/nfs/dbraw/zinc/24/23/51/682242351.db2.gz	CQDSTAYCDBKZAC-KFWWJZLASA-N	1	1	362.499	2.087	20	30		FEEDMO
CN(C)CC[NH+]1CCC(Nc2cc(Br)cnc2C#N)CC1	ZINC000853157083	682384465	/nfs/dbraw/zinc/38/44/65/682384465.db2.gz	GUWUVQFRXCNJTJ-UHFFFAOYSA-N	1	1	352.280	2.154	20	30		FEEDMO
COc1cc(C)[nH+]c(Cn2cc(C#N)c(I)n2)c1	ZINC000853721907	682460722	/nfs/dbraw/zinc/46/07/22/682460722.db2.gz	KFMPMYOVTIAJID-UHFFFAOYSA-N	1	1	354.151	2.120	20	30		FEEDMO
CC(C)[C@@H](CNc1cc(Br)cnc1C#N)[NH+]1CCOCC1	ZINC000787894285	682488153	/nfs/dbraw/zinc/48/81/53/682488153.db2.gz	IYJVANODYLSQSD-OAHLLOKOSA-N	1	1	353.264	2.484	20	30		FEEDMO
CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859328182	683085276	/nfs/dbraw/zinc/08/52/76/683085276.db2.gz	AVNONCCSVHFJQZ-CRAIPNDOSA-N	1	1	352.475	2.111	20	30		FEEDMO
CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C2	ZINC000926168444	683086824	/nfs/dbraw/zinc/08/68/24/683086824.db2.gz	YGHLAWHXBCAQEN-VXIBKDFQSA-N	1	1	361.873	2.421	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21	ZINC000860529680	683256235	/nfs/dbraw/zinc/25/62/35/683256235.db2.gz	KEFKOAPDDUMOQY-CHWSQXEVSA-N	1	1	355.360	2.420	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1nc(C(F)(F)F)n2c1CCCC2	ZINC000860529506	683256263	/nfs/dbraw/zinc/25/62/63/683256263.db2.gz	HWKBJULPFWMXRZ-GFCCVEGCSA-N	1	1	355.360	2.493	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1nc(C(F)(F)F)n2c1CCCC2	ZINC000860529506	683256267	/nfs/dbraw/zinc/25/62/67/683256267.db2.gz	HWKBJULPFWMXRZ-GFCCVEGCSA-N	1	1	355.360	2.493	20	30		FEEDMO
N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H]1CCC[N@H+]1C1CCCCC1	ZINC000797840431	683279908	/nfs/dbraw/zinc/27/99/08/683279908.db2.gz	MDKDMAYCHWOKLO-MRXNPFEDSA-N	1	1	362.499	2.415	20	30		FEEDMO
CCCCCCCS(=O)(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000920274163	683328236	/nfs/dbraw/zinc/32/82/36/683328236.db2.gz	MMXZJJLTAMFUSO-TVFCKZIOSA-N	1	1	360.564	2.356	20	30		FEEDMO
N#Cc1cc(F)cc(C2(C(=O)N[C@H]3CCC[N@H+]4CCSC[C@H]34)CC2)c1	ZINC000928080945	683372965	/nfs/dbraw/zinc/37/29/65/683372965.db2.gz	NBZYNXJHAJIQLX-DLBZAZTESA-N	1	1	359.470	2.425	20	30		FEEDMO
COc1ccc(C(C)=NNCCC[NH+]2CCOCC2)cc1Br	ZINC000799489585	683460145	/nfs/dbraw/zinc/46/01/45/683460145.db2.gz	WSAMVVJWUVLMEF-UHFFFAOYSA-N	1	1	370.291	2.494	20	30		FEEDMO
COCC(COC)N[NH+]=C(C)c1ccc(N2CCOCC2)cc1Cl	ZINC000863195240	683683930	/nfs/dbraw/zinc/68/39/30/683683930.db2.gz	SZJJWPSTGDACCR-UHFFFAOYSA-N	1	1	355.866	2.152	20	30		FEEDMO
N#Cc1ccc(OC2CC[NH+](C[C@H]3CCCS3(=O)=O)CC2)c(F)c1	ZINC000930464097	683738332	/nfs/dbraw/zinc/73/83/32/683738332.db2.gz	HXOHJSOQDZENKE-OAHLLOKOSA-N	1	1	352.431	2.118	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1	ZINC000931142935	683840985	/nfs/dbraw/zinc/84/09/85/683840985.db2.gz	AXLSYPORBCFAGX-ZDUSSCGKSA-N	1	1	352.837	2.286	20	30		FEEDMO
Cn1ncc(I)c1C[NH2+]Cc1cc(C#N)cs1	ZINC000865868043	684038893	/nfs/dbraw/zinc/03/88/93/684038893.db2.gz	FGSGIAKPUCUXAU-UHFFFAOYSA-N	1	1	358.208	2.248	20	30		FEEDMO
N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000866994069	684193214	/nfs/dbraw/zinc/19/32/14/684193214.db2.gz	OCFLDBIUJSZOPU-KDOFPFPSSA-N	1	1	363.458	2.335	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)C2(c3cncc(Br)c3)CC2)C1	ZINC000923561520	684306339	/nfs/dbraw/zinc/30/63/39/684306339.db2.gz	DWHBRGCJJIHULP-HNNXBMFYSA-N	1	1	362.271	2.090	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)C2(c3cncc(Br)c3)CC2)C1	ZINC000923561520	684306341	/nfs/dbraw/zinc/30/63/41/684306341.db2.gz	DWHBRGCJJIHULP-HNNXBMFYSA-N	1	1	362.271	2.090	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC[C@H]21	ZINC000867806604	684393945	/nfs/dbraw/zinc/39/39/45/684393945.db2.gz	GXSUNPWZOUGVQJ-IAQYHMDHSA-N	1	1	373.400	2.292	20	30		FEEDMO
C=CCn1c(Cc2nc(C)cs2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1	ZINC000871050138	684782393	/nfs/dbraw/zinc/78/23/93/684782393.db2.gz	GSAAVZMQPARRHD-HUUCEWRRSA-N	1	1	358.515	2.350	20	30		FEEDMO
CSC1CC[NH+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1	ZINC000872627351	684991856	/nfs/dbraw/zinc/99/18/56/684991856.db2.gz	AAQDVQBTLVGBJM-UHFFFAOYSA-N	1	1	358.467	2.107	20	30		FEEDMO
N#Cc1cnc(Cl)c(C[NH2+]CCS(=O)(=O)CCc2ccccc2)c1	ZINC000877501397	686392353	/nfs/dbraw/zinc/39/23/53/686392353.db2.gz	OHPRVIAFGUKTLA-UHFFFAOYSA-N	1	1	363.870	2.354	20	30		FEEDMO
CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C1	ZINC000877608213	686421903	/nfs/dbraw/zinc/42/19/03/686421903.db2.gz	RMYWAQHXWOZHAP-INIZCTEOSA-N	1	1	354.376	2.125	20	30		FEEDMO
COC(=O)C[C@H]1CSCC[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1	ZINC000878194510	686539149	/nfs/dbraw/zinc/53/91/49/686539149.db2.gz	XTKMPDOCFFWFKS-HKUYNNGSSA-N	1	1	360.479	2.408	20	30		FEEDMO
COC(=O)C[C@H]1CSCC[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1	ZINC000878194510	686539157	/nfs/dbraw/zinc/53/91/57/686539157.db2.gz	XTKMPDOCFFWFKS-HKUYNNGSSA-N	1	1	360.479	2.408	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)Nc2ccc(Br)c(C#N)n2)CC[N@H+]1C	ZINC000883092289	687562321	/nfs/dbraw/zinc/56/23/21/687562321.db2.gz	LDQQLSXLZLHLMR-NXEZZACHSA-N	1	1	352.236	2.320	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883096604	687563464	/nfs/dbraw/zinc/56/34/64/687563464.db2.gz	MAEWWFSYGZNHJO-ZANVPECISA-N	1	1	364.247	2.320	20	30		FEEDMO
C#CC[C@@H](CO)[NH2+]Cc1c(F)ccc(I)c1F	ZINC000883124878	687572961	/nfs/dbraw/zinc/57/29/61/687572961.db2.gz	SGMLPCWNTZXACZ-QMMMGPOBSA-N	1	1	351.134	2.043	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2nc3cccc(Cl)c3n2C)C1	ZINC000884274635	687834896	/nfs/dbraw/zinc/83/48/96/687834896.db2.gz	QTEWVSXROIGLLZ-CYBMUJFWSA-N	1	1	359.861	2.124	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nc3cccc(Cl)c3n2C)C1	ZINC000884274635	687834905	/nfs/dbraw/zinc/83/49/05/687834905.db2.gz	QTEWVSXROIGLLZ-CYBMUJFWSA-N	1	1	359.861	2.124	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000885456627	688076781	/nfs/dbraw/zinc/07/67/81/688076781.db2.gz	BOFWTZVMTYHSTA-CVEARBPZSA-N	1	1	351.447	2.086	20	30		FEEDMO
N#Cc1csc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)n1	ZINC000886325159	688232351	/nfs/dbraw/zinc/23/23/51/688232351.db2.gz	XBESCUINVLXOBV-UHFFFAOYSA-N	1	1	355.467	2.006	20	30		FEEDMO
C#CCC1(NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CCOCC1	ZINC000887772732	688489937	/nfs/dbraw/zinc/48/99/37/688489937.db2.gz	AHFKBTNOGLLVOF-OAHLLOKOSA-N	1	1	361.511	2.366	20	30		FEEDMO
C#CCC1(NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CCOCC1	ZINC000887772732	688489939	/nfs/dbraw/zinc/48/99/39/688489939.db2.gz	AHFKBTNOGLLVOF-OAHLLOKOSA-N	1	1	361.511	2.366	20	30		FEEDMO
N#Cc1csc(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000894516369	689545781	/nfs/dbraw/zinc/54/57/81/689545781.db2.gz	JDTHVTXFIOICHH-OAHLLOKOSA-N	1	1	355.467	2.336	20	30		FEEDMO
O=C1[C@H]([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CCCN1O	ZINC000895166049	689670601	/nfs/dbraw/zinc/67/06/01/689670601.db2.gz	OQYLEHATIVGOBJ-HUUCEWRRSA-N	1	1	354.834	2.368	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccccc1N[C@@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000895565760	689735886	/nfs/dbraw/zinc/73/58/86/689735886.db2.gz	XYIDRCXRHRGJGQ-GDBMZVCRSA-N	1	1	367.540	2.143	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccccc1N[C@@H]1CCC[N@H+]2CCSC[C@H]12	ZINC000895565760	689735890	/nfs/dbraw/zinc/73/58/90/689735890.db2.gz	XYIDRCXRHRGJGQ-GDBMZVCRSA-N	1	1	367.540	2.143	20	30		FEEDMO
N#Cc1cc(Br)cnc1NC[C@@H]1CC[N@H+]1C1CCOCC1	ZINC000896521429	689884611	/nfs/dbraw/zinc/88/46/11/689884611.db2.gz	DKISSSBVTYFIFH-AWEZNQCLSA-N	1	1	351.248	2.381	20	30		FEEDMO
N#Cc1ccc(NC(=S)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1Cl	ZINC000899663762	690401567	/nfs/dbraw/zinc/40/15/67/690401567.db2.gz	GCOSOXJMTVHSSY-HZPDHXFCSA-N	1	1	364.902	2.439	20	30		FEEDMO
C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000900788458	690561912	/nfs/dbraw/zinc/56/19/12/690561912.db2.gz	BACKOSAZNFGAIH-HNAYVOBHSA-N	1	1	355.463	2.358	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)ccc1C(F)(F)F	ZINC000903210822	690867417	/nfs/dbraw/zinc/86/74/17/690867417.db2.gz	OTOWCTRABWPJFO-GFCCVEGCSA-N	1	1	359.373	2.046	20	30		FEEDMO
N#Cc1cccc(NC(=O)C2CC[NH+](CC[S@](=O)C(F)(F)F)CC2)c1	ZINC000905924144	691197221	/nfs/dbraw/zinc/19/72/21/691197221.db2.gz	OOEOCEHSZWOZSA-VWLOTQADSA-N	1	1	373.400	2.477	20	30		FEEDMO
N#Cc1sc2ccccc2c1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1	ZINC000906990644	691363169	/nfs/dbraw/zinc/36/31/69/691363169.db2.gz	GBZMNRDXFSLAAY-CYBMUJFWSA-N	1	1	359.476	2.408	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@H]21	ZINC001164673105	719449265	/nfs/dbraw/zinc/44/92/65/719449265.db2.gz	SJZWFFUAVVMNCP-WOJBJXKFSA-N	1	1	364.449	2.246	20	30		FEEDMO
N#Cc1nc(Cl)c(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc1C#N	ZINC001164722993	720385563	/nfs/dbraw/zinc/38/55/63/720385563.db2.gz	FHQQZJLGDVOZFK-HZPDHXFCSA-N	1	1	365.828	2.122	20	30		FEEDMO
N#Cc1nc(Cl)c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1C#N	ZINC001164722993	720385571	/nfs/dbraw/zinc/38/55/71/720385571.db2.gz	FHQQZJLGDVOZFK-HZPDHXFCSA-N	1	1	365.828	2.122	20	30		FEEDMO
CC(C)c1ccc(C#N)c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1	ZINC001164742268	720630778	/nfs/dbraw/zinc/63/07/78/720630778.db2.gz	MJSRXIBFVYPXMV-SJORKVTESA-N	1	1	364.453	2.209	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(C#N)cc(Cl)n4)C[C@H]3C2)cn1	ZINC001164766558	721069512	/nfs/dbraw/zinc/06/95/12/721069512.db2.gz	KUGYLIRIJBNNLI-HZPDHXFCSA-N	1	1	356.861	2.298	20	30		FEEDMO
Cc1cc(C#N)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)nc1C	ZINC001164764234	721111616	/nfs/dbraw/zinc/11/16/16/721111616.db2.gz	HLRLWWOUKOROGR-HKUYNNGSSA-N	1	1	350.470	2.262	20	30		FEEDMO
Cc1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1C#N	ZINC001164892492	721404273	/nfs/dbraw/zinc/40/42/73/721404273.db2.gz	YKPSUCLYMANKFH-TZIWHRDSSA-N	1	1	369.513	2.027	20	30		FEEDMO
COc1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N	ZINC001164902677	721526880	/nfs/dbraw/zinc/52/68/80/721526880.db2.gz	AYTRJPIUEHYCPQ-NVXWUHKLSA-N	1	1	368.412	2.443	20	30		FEEDMO
N#CCc1cncc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164903037	721549499	/nfs/dbraw/zinc/54/94/99/721549499.db2.gz	BVLPVOLUVBLLDF-SJLPKXTDSA-N	1	1	353.401	2.024	20	30		FEEDMO
N#Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cn1	ZINC001164907483	721587532	/nfs/dbraw/zinc/58/75/32/721587532.db2.gz	UFGCDWAOPMVGDY-GOSISDBHSA-N	1	1	370.407	2.481	20	30		FEEDMO
N#Cc1cnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(F)c1	ZINC001164978925	722132832	/nfs/dbraw/zinc/13/28/32/722132832.db2.gz	LAWOJQJAGMRFRW-PKOBYXMFSA-N	1	1	367.428	2.215	20	30		FEEDMO
CO[C@@H](C)c1nc(CN2CCC[N@@H+](CCOCCC#N)CC2)cs1	ZINC000549470668	674043607	/nfs/dbraw/zinc/04/36/07/674043607.db2.gz	DLXIDLFPXHATMP-HNNXBMFYSA-N	1	1	352.504	2.288	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCOc2c(Br)cccc21	ZINC000800576411	674063186	/nfs/dbraw/zinc/06/31/86/674063186.db2.gz	JXNJZOGQNDYEPW-GJZGRUSLSA-N	1	1	363.255	2.487	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCOc2c(Br)cccc21	ZINC000800576411	674063187	/nfs/dbraw/zinc/06/31/87/674063187.db2.gz	JXNJZOGQNDYEPW-GJZGRUSLSA-N	1	1	363.255	2.487	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000021053273	539679899	/nfs/dbraw/zinc/67/98/99/539679899.db2.gz	IOECVOOKJLPCEK-OAGGEKHMSA-N	1	1	359.470	2.330	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(OC(F)F)c1	ZINC000026453925	539787077	/nfs/dbraw/zinc/78/70/77/539787077.db2.gz	GSUFIFLIKYJNBO-LLVKDONJSA-N	1	1	371.384	2.129	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1	ZINC000026453925	539787079	/nfs/dbraw/zinc/78/70/79/539787079.db2.gz	GSUFIFLIKYJNBO-LLVKDONJSA-N	1	1	371.384	2.129	20	30		FEEDMO
CC(C)(C)CC(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000027601129	539812288	/nfs/dbraw/zinc/81/22/88/539812288.db2.gz	JRNKCEPTHJZFLG-UHFFFAOYSA-N	1	1	356.470	2.467	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)NC(C3CC3)C3CC3)CC2)cc1	ZINC000028154988	539826964	/nfs/dbraw/zinc/82/69/64/539826964.db2.gz	YIKMAPJIWSGAOD-UHFFFAOYSA-N	1	1	366.509	2.371	20	30		FEEDMO
Cc1cc(NC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)no1	ZINC000028961185	539840066	/nfs/dbraw/zinc/84/00/66/539840066.db2.gz	ISCFODIAJADZES-UHFFFAOYSA-N	1	1	353.426	2.001	20	30		FEEDMO
CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000029927121	539868777	/nfs/dbraw/zinc/86/87/77/539868777.db2.gz	LARVDDUGIQYFHI-INIZCTEOSA-N	1	1	362.518	2.346	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1	ZINC000042132653	540052865	/nfs/dbraw/zinc/05/28/65/540052865.db2.gz	RNLNZCYKFZXHKH-KGLIPLIRSA-N	1	1	356.426	2.408	20	30		FEEDMO
Cc1cc(NC(=O)CC[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)no1	ZINC000045521308	540215560	/nfs/dbraw/zinc/21/55/60/540215560.db2.gz	YVRSIHYYXCNUHE-KRWDZBQOSA-N	1	1	353.426	2.194	20	30		FEEDMO
C=CCN(CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)Cc1ccccc1	ZINC000045796815	540228179	/nfs/dbraw/zinc/22/81/79/540228179.db2.gz	XTAYVHDEIMYQBS-HXUWFJFHSA-N	1	1	359.514	2.148	20	30		FEEDMO
C[C@H](Cn1ccnc1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000047028743	540285568	/nfs/dbraw/zinc/28/55/68/540285568.db2.gz	KHXMSDZUKSCAEJ-QGZVFWFLSA-N	1	1	366.469	2.061	20	30		FEEDMO
Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)n1	ZINC000047260999	540299536	/nfs/dbraw/zinc/29/95/36/540299536.db2.gz	RPKULIOJRSUVOI-UZLBHIALSA-N	1	1	371.485	2.095	20	30		FEEDMO
Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)n1	ZINC000047260999	540299539	/nfs/dbraw/zinc/29/95/39/540299539.db2.gz	RPKULIOJRSUVOI-UZLBHIALSA-N	1	1	371.485	2.095	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000048159961	540348371	/nfs/dbraw/zinc/34/83/71/540348371.db2.gz	VNOZRYXUOMYPMI-IYBDPMFKSA-N	1	1	374.485	2.223	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccccc2I)CC1	ZINC000049451106	540389508	/nfs/dbraw/zinc/38/95/08/540389508.db2.gz	RXOZKJUHIJALIB-UHFFFAOYSA-N	1	1	368.218	2.072	20	30		FEEDMO
CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1	ZINC000050998434	540419526	/nfs/dbraw/zinc/41/95/26/540419526.db2.gz	DNOFDTYFPYBPAS-HNNXBMFYSA-N	1	1	374.510	2.479	20	30		FEEDMO
CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1	ZINC000050998434	540419527	/nfs/dbraw/zinc/41/95/27/540419527.db2.gz	DNOFDTYFPYBPAS-HNNXBMFYSA-N	1	1	374.510	2.479	20	30		FEEDMO
Cc1nn(C)c(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1[N+](=O)[O-]	ZINC000051502349	540436395	/nfs/dbraw/zinc/43/63/95/540436395.db2.gz	FKJGZXCBEDXCRB-UHFFFAOYSA-N	1	1	354.414	2.221	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)c2ccccc2F)CC1	ZINC000052727990	540486167	/nfs/dbraw/zinc/48/61/67/540486167.db2.gz	ZTRISLGKBLHJCF-HNNXBMFYSA-N	1	1	374.460	2.028	20	30		FEEDMO
Cc1cccc(NC(=O)C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)n1	ZINC000053162914	540514864	/nfs/dbraw/zinc/51/48/64/540514864.db2.gz	STPDVDLFFBBMFM-HXUWFJFHSA-N	1	1	371.485	2.095	20	30		FEEDMO
Cc1noc([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)n1	ZINC000054341554	540584584	/nfs/dbraw/zinc/58/45/84/540584584.db2.gz	KYXJCJJRLSZXOG-SJORKVTESA-N	1	1	356.426	2.063	20	30		FEEDMO
COCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1	ZINC000054356032	540585488	/nfs/dbraw/zinc/58/54/88/540585488.db2.gz	CYFITOFFXDZKEA-UHFFFAOYSA-N	1	1	370.453	2.491	20	30		FEEDMO
COCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1	ZINC000054356032	540585491	/nfs/dbraw/zinc/58/54/91/540585491.db2.gz	CYFITOFFXDZKEA-UHFFFAOYSA-N	1	1	370.453	2.491	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)ccc1Cl	ZINC000055238193	540639097	/nfs/dbraw/zinc/63/90/97/540639097.db2.gz	MHMXAMMZFMPYGY-UHFFFAOYSA-N	1	1	353.875	2.461	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCCOC3)CC2)cc1	ZINC000057161964	540773935	/nfs/dbraw/zinc/77/39/35/540773935.db2.gz	RVLKEVQCQBPUGB-LJQANCHMSA-N	1	1	356.470	2.202	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)C3(C#N)CCCCC3)cc2)CC1	ZINC000057398405	540793609	/nfs/dbraw/zinc/79/36/09/540793609.db2.gz	DFGLKBOMEMBRLD-UHFFFAOYSA-N	1	1	354.454	2.487	20	30		FEEDMO
C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCOc1ccccc1C#N	ZINC000057843624	540818868	/nfs/dbraw/zinc/81/88/68/540818868.db2.gz	FVCPNAURPXXFHG-AWEZNQCLSA-N	1	1	359.451	2.277	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000540985952	541131568	/nfs/dbraw/zinc/13/15/68/541131568.db2.gz	WPMRYOGABFKYSV-ZDUSSCGKSA-N	1	1	356.405	2.346	20	30		FEEDMO
C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064633307	541213391	/nfs/dbraw/zinc/21/33/91/541213391.db2.gz	FWMOKWUUPQHYNR-QGZVFWFLSA-N	1	1	355.486	2.256	20	30		FEEDMO
C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064633307	541213395	/nfs/dbraw/zinc/21/33/95/541213395.db2.gz	FWMOKWUUPQHYNR-QGZVFWFLSA-N	1	1	355.486	2.256	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC	ZINC000065297693	541233920	/nfs/dbraw/zinc/23/39/20/541233920.db2.gz	AKRQNCZNIRMPEI-RTBURBONSA-N	1	1	360.498	2.488	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1	ZINC000067497622	541472679	/nfs/dbraw/zinc/47/26/79/541472679.db2.gz	RMYBOOZFWRMARS-INIZCTEOSA-N	1	1	359.470	2.428	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000067715187	541504384	/nfs/dbraw/zinc/50/43/84/541504384.db2.gz	HRFDNFQYJRGVGY-HLIPFELVSA-N	1	1	370.497	2.460	20	30		FEEDMO
Cc1nc(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccc1C#N	ZINC000067809123	541516018	/nfs/dbraw/zinc/51/60/18/541516018.db2.gz	OGAXKEZMKWNCPH-HNNXBMFYSA-N	1	1	364.449	2.412	20	30		FEEDMO
Cc1nc(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccc1C#N	ZINC000067809123	541516022	/nfs/dbraw/zinc/51/60/22/541516022.db2.gz	OGAXKEZMKWNCPH-HNNXBMFYSA-N	1	1	364.449	2.412	20	30		FEEDMO
CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000071011520	541758112	/nfs/dbraw/zinc/75/81/12/541758112.db2.gz	ZMZARKAAXJTXFG-UHFFFAOYSA-N	1	1	360.458	2.154	20	30		FEEDMO
Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCN(c3ncccc3C#N)CC2)c1	ZINC000073125352	541921697	/nfs/dbraw/zinc/92/16/97/541921697.db2.gz	KHPHNUSOWHVNBT-IBGZPJMESA-N	1	1	366.465	2.132	20	30		FEEDMO
Cc1nnc(SCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)[nH]1	ZINC000073107958	541918663	/nfs/dbraw/zinc/91/86/63/541918663.db2.gz	DCCHLBSKTMTWLE-UHFFFAOYSA-N	1	1	372.498	2.057	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)N1CC[NH+](C)CC1	ZINC000073595970	541971218	/nfs/dbraw/zinc/97/12/18/541971218.db2.gz	SGQRUFKHMFJIBX-APWZRJJASA-N	1	1	357.502	2.190	20	30		FEEDMO
N#Cc1ccc(OCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc1	ZINC000074029363	542027834	/nfs/dbraw/zinc/02/78/34/542027834.db2.gz	YCVDYSCPUWXCBA-LJQANCHMSA-N	1	1	350.422	2.113	20	30		FEEDMO
N#Cc1ccc(OCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc1	ZINC000074029363	542027838	/nfs/dbraw/zinc/02/78/38/542027838.db2.gz	YCVDYSCPUWXCBA-LJQANCHMSA-N	1	1	350.422	2.113	20	30		FEEDMO
CCCNC(=O)[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1	ZINC000075676388	542197252	/nfs/dbraw/zinc/19/72/52/542197252.db2.gz	UVXGFWJQLCDKGY-MRXNPFEDSA-N	1	1	353.426	2.346	20	30		FEEDMO
CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1	ZINC000075676388	542197254	/nfs/dbraw/zinc/19/72/54/542197254.db2.gz	UVXGFWJQLCDKGY-MRXNPFEDSA-N	1	1	353.426	2.346	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000076333944	542262130	/nfs/dbraw/zinc/26/21/30/542262130.db2.gz	GLRDJLKBMPJCDL-KGLIPLIRSA-N	1	1	372.494	2.372	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NCCCCn2cc[nH+]c2C)c1	ZINC000076373367	542268380	/nfs/dbraw/zinc/26/83/80/542268380.db2.gz	ZFRQMPGEUBFWCK-UHFFFAOYSA-N	1	1	356.426	2.291	20	30		FEEDMO
C=CCCC[N@H+](C)[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000076736141	542319422	/nfs/dbraw/zinc/31/94/22/542319422.db2.gz	LDZOWJAGYKQVPX-LLVKDONJSA-N	1	1	357.376	2.445	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH+]1CCN(c2ccc(C#N)cn2)CC1	ZINC000077269054	542360989	/nfs/dbraw/zinc/36/09/89/542360989.db2.gz	VIVMLWDGHSIDED-UHFFFAOYSA-N	1	1	363.421	2.035	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C	ZINC000077466336	542384910	/nfs/dbraw/zinc/38/49/10/542384910.db2.gz	HIRFMYXFJALHGT-LSDHHAIUSA-N	1	1	361.515	2.306	20	30		FEEDMO
C=CCc1cc(C(=O)N2CCC[N@H+](CCOC)CC2)cc(OC)c1OC	ZINC000078631337	542473840	/nfs/dbraw/zinc/47/38/40/542473840.db2.gz	MYDNEDWMVOHONO-UHFFFAOYSA-N	1	1	362.470	2.227	20	30		FEEDMO
COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCO[C@H](C)C#N)CC1	ZINC000801915637	674154719	/nfs/dbraw/zinc/15/47/19/674154719.db2.gz	UBCROKXOFAIQIY-PBHICJAKSA-N	1	1	365.861	2.100	20	30		FEEDMO
COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCO[C@H](C)C#N)CC1	ZINC000801928633	674155720	/nfs/dbraw/zinc/15/57/20/674155720.db2.gz	GQXBDWARPKDJRP-RHSMWYFYSA-N	1	1	365.861	2.100	20	30		FEEDMO
C=CCOCCCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000079894329	542548860	/nfs/dbraw/zinc/54/88/60/542548860.db2.gz	GDZGKIDEJPCSTF-KRWDZBQOSA-N	1	1	359.470	2.305	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C1	ZINC000080707011	542602344	/nfs/dbraw/zinc/60/23/44/542602344.db2.gz	MBNARRZDAZQOKO-GOSISDBHSA-N	1	1	356.470	2.310	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C(N)=O)C(C)(C)C	ZINC000081624848	542668916	/nfs/dbraw/zinc/66/89/16/542668916.db2.gz	RFVVGWOOMFMOJP-MLGOLLRUSA-N	1	1	362.499	2.366	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000083537891	542698377	/nfs/dbraw/zinc/69/83/77/542698377.db2.gz	UGJUZMVLVYMHIQ-LLVKDONJSA-N	1	1	361.389	2.149	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(c2nc[nH]n2)CC1)C(C)C	ZINC000083702184	542700937	/nfs/dbraw/zinc/70/09/37/542700937.db2.gz	KGFANQIYOMZGFX-QGZVFWFLSA-N	1	1	360.506	2.392	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3ncccc3F)CC2)cc1	ZINC000090631336	542787430	/nfs/dbraw/zinc/78/74/30/542787430.db2.gz	OWSFTAYTUJPKGQ-UHFFFAOYSA-N	1	1	353.401	2.243	20	30		FEEDMO
C#CCCOc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1	ZINC000091936753	542833443	/nfs/dbraw/zinc/83/34/43/542833443.db2.gz	BCJUTDADPNFCLH-KRWDZBQOSA-N	1	1	361.449	2.461	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)cc1	ZINC000091936753	542833445	/nfs/dbraw/zinc/83/34/45/542833445.db2.gz	BCJUTDADPNFCLH-KRWDZBQOSA-N	1	1	361.449	2.461	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1	ZINC000092807804	542887818	/nfs/dbraw/zinc/88/78/18/542887818.db2.gz	JCHULAODWWPPBH-MRXNPFEDSA-N	1	1	367.396	2.423	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1	ZINC000092807804	542887821	/nfs/dbraw/zinc/88/78/21/542887821.db2.gz	JCHULAODWWPPBH-MRXNPFEDSA-N	1	1	367.396	2.423	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)cc1Cl	ZINC000093583013	542935258	/nfs/dbraw/zinc/93/52/58/542935258.db2.gz	OGIAGDWHLBCXEO-MRXNPFEDSA-N	1	1	354.878	2.030	20	30		FEEDMO
C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCCOC1	ZINC000107690614	543275503	/nfs/dbraw/zinc/27/55/03/543275503.db2.gz	QGZADYZKMLXWDL-OAHLLOKOSA-N	1	1	353.426	2.041	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1	ZINC000108607329	543297306	/nfs/dbraw/zinc/29/73/06/543297306.db2.gz	MXAMGUJCUQWBDY-AWEZNQCLSA-N	1	1	372.494	2.231	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cn3ccccc3c2C#N)CC1	ZINC000109755258	543337193	/nfs/dbraw/zinc/33/71/93/543337193.db2.gz	HPGSRZVZIOBNFF-IBGZPJMESA-N	1	1	351.498	2.413	20	30		FEEDMO
COc1cccc(NC2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1	ZINC000111304578	543394633	/nfs/dbraw/zinc/39/46/33/543394633.db2.gz	GZDXLNKARHVMRK-HXUWFJFHSA-N	1	1	356.470	2.380	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)[N@@H+](C)Cc1ccccc1	ZINC000111348322	543398144	/nfs/dbraw/zinc/39/81/44/543398144.db2.gz	ARJICARJCSZSGB-CQSZACIVSA-N	1	1	361.442	2.496	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1	ZINC000111696444	543412592	/nfs/dbraw/zinc/41/25/92/543412592.db2.gz	OJGUONTZRGRBNT-OALUTQOASA-N	1	1	358.482	2.242	20	30		FEEDMO
CCCC[N@@H+](C)CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1	ZINC000112466464	543447969	/nfs/dbraw/zinc/44/79/69/543447969.db2.gz	WZGAGJZEWSZMNB-UHFFFAOYSA-N	1	1	361.465	2.261	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1ccccc1SCCC#N)C(C)C	ZINC000118119319	543646943	/nfs/dbraw/zinc/64/69/43/543646943.db2.gz	KEOYGUDJKMHQMQ-UHFFFAOYSA-N	1	1	362.499	2.477	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1	ZINC000121295449	543691854	/nfs/dbraw/zinc/69/18/54/543691854.db2.gz	ISPOPGDJCNVVIC-GOSISDBHSA-N	1	1	359.470	2.379	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1	ZINC000121295449	543691856	/nfs/dbraw/zinc/69/18/56/543691856.db2.gz	ISPOPGDJCNVVIC-GOSISDBHSA-N	1	1	359.470	2.379	20	30		FEEDMO
COCCCOC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000122769881	543722948	/nfs/dbraw/zinc/72/29/48/543722948.db2.gz	WEVHLXPZMKMEHH-IBGZPJMESA-N	1	1	357.454	2.181	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000123338628	543755510	/nfs/dbraw/zinc/75/55/10/543755510.db2.gz	VVHVAERAVQJGFY-MRXNPFEDSA-N	1	1	351.447	2.240	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1	ZINC000125493975	543884783	/nfs/dbraw/zinc/88/47/83/543884783.db2.gz	MFANPLYCRUBIMU-OAHLLOKOSA-N	1	1	357.454	2.421	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000126431187	543935441	/nfs/dbraw/zinc/93/54/41/543935441.db2.gz	VMTFVTDKUSDWLX-AEFFLSMTSA-N	1	1	369.465	2.421	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)Nc2ccc(Br)cc2C)CC1	ZINC000127341149	543986843	/nfs/dbraw/zinc/98/68/43/543986843.db2.gz	AKRQGNRKLQUNGT-UHFFFAOYSA-N	1	1	364.287	2.337	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)NC1CC[NH+](CCN(C)C)CC1	ZINC000129304504	544104620	/nfs/dbraw/zinc/10/46/20/544104620.db2.gz	DJQVEGDGZUQFIT-UHFFFAOYSA-N	1	1	358.530	2.453	20	30		FEEDMO
C[C@@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2ccccc2C#N)CC1	ZINC000129454186	544112822	/nfs/dbraw/zinc/11/28/22/544112822.db2.gz	MPHYFALIFYIYCQ-HNNXBMFYSA-N	1	1	370.478	2.457	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)cc1	ZINC000130572301	544156456	/nfs/dbraw/zinc/15/64/56/544156456.db2.gz	DEILIYILGFNRTE-LJQANCHMSA-N	1	1	363.465	2.052	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(OC[C@@H]2CCOC2)CC1	ZINC000131732443	544204446	/nfs/dbraw/zinc/20/44/46/544204446.db2.gz	GYZOITWYJQNOKQ-HZPDHXFCSA-N	1	1	357.454	2.403	20	30		FEEDMO
C=CCOc1ccc(C[NH+]2CCN(c3cc(C)nc4ncnn43)CC2)cc1	ZINC000133895455	544287217	/nfs/dbraw/zinc/28/72/17/544287217.db2.gz	CHMBQSRSAMGOLO-UHFFFAOYSA-N	1	1	364.453	2.320	20	30		FEEDMO
CC(C)(C#N)c1ccccc1C[NH+]1CCN(CC(=O)N2CCCC2)CC1	ZINC000135104461	544334152	/nfs/dbraw/zinc/33/41/52/544334152.db2.gz	BVVRGWFJARTHJM-UHFFFAOYSA-N	1	1	354.498	2.228	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C(=O)OC)C[C@@H](c2ccccc2)C1	ZINC000135468478	544348555	/nfs/dbraw/zinc/34/85/55/544348555.db2.gz	BUZPMYAUBJHRIZ-MSOLQXFVSA-N	1	1	357.454	2.027	20	30		FEEDMO
C=CCCCCC[N@H+](C)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1	ZINC000150875462	544482340	/nfs/dbraw/zinc/48/23/40/544482340.db2.gz	MMQRLHSWYNMWBG-UHFFFAOYSA-N	1	1	353.488	2.259	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000152521129	544663906	/nfs/dbraw/zinc/66/39/06/544663906.db2.gz	VJGMKKVREHFMRJ-CQSZACIVSA-N	1	1	353.426	2.172	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000152861936	544704461	/nfs/dbraw/zinc/70/44/61/544704461.db2.gz	MZFDZRFJFKVREQ-IUODEOHRSA-N	1	1	353.875	2.316	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cccc(Cl)c2C#N)C1	ZINC000152862031	544704515	/nfs/dbraw/zinc/70/45/15/544704515.db2.gz	MZFDZRFJFKVREQ-DOMZBBRYSA-N	1	1	353.875	2.316	20	30		FEEDMO
Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153257223	544753224	/nfs/dbraw/zinc/75/32/24/544753224.db2.gz	FLTDQPQVGNUBTE-UHFFFAOYSA-N	1	1	360.849	2.329	20	30		FEEDMO
C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153265573	544753832	/nfs/dbraw/zinc/75/38/32/544753832.db2.gz	UZFYDKVZTBWIGI-CQSZACIVSA-N	1	1	358.490	2.123	20	30		FEEDMO
Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1C	ZINC000153297020	544757385	/nfs/dbraw/zinc/75/73/85/544757385.db2.gz	BDRQKGLNKUXQSM-OAHLLOKOSA-N	1	1	368.485	2.222	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)CCCn1cc[nH+]c1C	ZINC000153593517	544796390	/nfs/dbraw/zinc/79/63/90/544796390.db2.gz	DESXHAKQOQTZCM-UHFFFAOYSA-N	1	1	356.474	2.400	20	30		FEEDMO
N#Cc1cc(Cl)cc(Br)c1N1CC[N@@H+]2CCOC[C@H]2C1	ZINC000553486978	674265590	/nfs/dbraw/zinc/26/55/90/674265590.db2.gz	NNJKSSNVKXARLK-GFCCVEGCSA-N	1	1	356.651	2.495	20	30		FEEDMO
N#Cc1cc(Cl)cc(Br)c1N1CC[N@H+]2CCOC[C@H]2C1	ZINC000553486978	674265591	/nfs/dbraw/zinc/26/55/91/674265591.db2.gz	NNJKSSNVKXARLK-GFCCVEGCSA-N	1	1	356.651	2.495	20	30		FEEDMO
COCCOc1ccccc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1	ZINC000179987969	327667118	/nfs/dbraw/zinc/66/71/18/327667118.db2.gz	AZTSGAWJSYXSOM-UHFFFAOYSA-N	1	1	352.438	2.301	20	30		FEEDMO
C[C@H]1C(=O)NCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000189290680	328139420	/nfs/dbraw/zinc/13/94/20/328139420.db2.gz	UENFVJSLFOJGKL-LBPRGKRZSA-N	1	1	360.483	2.038	20	30		FEEDMO
C[C@H]1C(=O)NCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000189290680	328139421	/nfs/dbraw/zinc/13/94/21/328139421.db2.gz	UENFVJSLFOJGKL-LBPRGKRZSA-N	1	1	360.483	2.038	20	30		FEEDMO
C[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O	ZINC000189907113	328175270	/nfs/dbraw/zinc/17/52/70/328175270.db2.gz	FQORUBUQLSXFCH-MRXNPFEDSA-N	1	1	367.497	2.236	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1C#N	ZINC000190923385	328240362	/nfs/dbraw/zinc/24/03/62/328240362.db2.gz	WHPUHXHZFLMLMQ-CJNGLKHVSA-N	1	1	370.453	2.117	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1C#N	ZINC000190923385	328240363	/nfs/dbraw/zinc/24/03/63/328240363.db2.gz	WHPUHXHZFLMLMQ-CJNGLKHVSA-N	1	1	370.453	2.117	20	30		FEEDMO
Cn1cc([C@@H]2CSCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cn1	ZINC000191193019	328253501	/nfs/dbraw/zinc/25/35/01/328253501.db2.gz	NLGJCGOVVGRKAK-KRWDZBQOSA-N	1	1	355.467	2.410	20	30		FEEDMO
Cn1cc([C@@H]2CSCC[N@H+]2CCC(=O)Nc2ccccc2C#N)cn1	ZINC000191193019	328253503	/nfs/dbraw/zinc/25/35/03/328253503.db2.gz	NLGJCGOVVGRKAK-KRWDZBQOSA-N	1	1	355.467	2.410	20	30		FEEDMO
COC(=O)[C@@H](C)C[N@@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000192565704	328326054	/nfs/dbraw/zinc/32/60/54/328326054.db2.gz	UGDHXXAOTAQKMF-KBXCAEBGSA-N	1	1	355.438	2.327	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000193024444	328352810	/nfs/dbraw/zinc/35/28/10/328352810.db2.gz	SSKRCFJLCSHQCO-UHFFFAOYSA-N	1	1	370.457	2.155	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000193162515	328360277	/nfs/dbraw/zinc/36/02/77/328360277.db2.gz	FDMOXDKHWPLWDG-HNNXBMFYSA-N	1	1	373.501	2.147	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[N@H+](C)CC12CCCCC2	ZINC000080941102	325149375	/nfs/dbraw/zinc/14/93/75/325149375.db2.gz	CEFGILNBGBVTIM-UHFFFAOYSA-N	1	1	370.497	2.273	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1Cl	ZINC000089155640	325305317	/nfs/dbraw/zinc/30/53/17/325305317.db2.gz	CPSROHDCZKFKLR-IRXDYDNUSA-N	1	1	363.845	2.420	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)COc1ccccc1C#N	ZINC000116251609	326001817	/nfs/dbraw/zinc/00/18/17/326001817.db2.gz	ZUTJQBFXYDPZKL-LPHOPBHVSA-N	1	1	364.449	2.359	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1Cl	ZINC000119202351	326137340	/nfs/dbraw/zinc/13/73/40/326137340.db2.gz	OCCBIIDRYHXWBW-CYBMUJFWSA-N	1	1	358.833	2.154	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1F	ZINC000121627088	326353019	/nfs/dbraw/zinc/35/30/19/326353019.db2.gz	YIGXVGVUARGFBZ-ACJLOTCBSA-N	1	1	363.458	2.335	20	30		FEEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000172841867	327221959	/nfs/dbraw/zinc/22/19/59/327221959.db2.gz	IQZZAEGHYKGZLD-HNNXBMFYSA-N	1	1	362.861	2.483	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C(C)C	ZINC000175068758	327372064	/nfs/dbraw/zinc/37/20/64/327372064.db2.gz	RUYRYXWCWZEBIU-DLBZAZTESA-N	1	1	370.497	2.270	20	30		FEEDMO
Cc1noc(C2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)n1	ZINC000264213740	329000821	/nfs/dbraw/zinc/00/08/21/329000821.db2.gz	NCHGSAPQOSHJRT-QGZVFWFLSA-N	1	1	351.410	2.235	20	30		FEEDMO
CN1CC[N@H+](C)C[C@H]1CNCc1cccc(OCc2cccc(C#N)c2)c1	ZINC000264769140	329058566	/nfs/dbraw/zinc/05/85/66/329058566.db2.gz	QPAHRZBHMQMUBI-OAQYLSRUSA-N	1	1	364.493	2.473	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNCc1cccc(OCc2cccc(C#N)c2)c1	ZINC000264769140	329058567	/nfs/dbraw/zinc/05/85/67/329058567.db2.gz	QPAHRZBHMQMUBI-OAQYLSRUSA-N	1	1	364.493	2.473	20	30		FEEDMO
COC(=O)[C@H]1CC12CC[NH+](CC(=O)Nc1cc(Cl)ccc1C#N)CC2	ZINC000265031045	329084638	/nfs/dbraw/zinc/08/46/38/329084638.db2.gz	IMVDRPQHEVGSRE-CQSZACIVSA-N	1	1	361.829	2.425	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C1	ZINC000265998462	329180372	/nfs/dbraw/zinc/18/03/72/329180372.db2.gz	RDHPIIVOTDVJDU-GFCCVEGCSA-N	1	1	354.357	2.002	20	30		FEEDMO
C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCOC1	ZINC000266563461	329236471	/nfs/dbraw/zinc/23/64/71/329236471.db2.gz	NFQSKGAZLGZIEQ-LPHOPBHVSA-N	1	1	356.470	2.201	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC[C@@H]21	ZINC000286427314	330184353	/nfs/dbraw/zinc/18/43/53/330184353.db2.gz	BLXVYNDVRREOCB-AOIWGVFYSA-N	1	1	370.472	2.466	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1	ZINC000288715330	330187865	/nfs/dbraw/zinc/18/78/65/330187865.db2.gz	FXMVXNNDMBFLFF-LJQANCHMSA-N	1	1	370.497	2.001	20	30		FEEDMO
Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)cn1	ZINC000371454563	330243302	/nfs/dbraw/zinc/24/33/02/330243302.db2.gz	ADTRTRTXAIYSOX-RBUKOAKNSA-N	1	1	367.453	2.208	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H]2CCO)c1C#N	ZINC000426250110	330272024	/nfs/dbraw/zinc/27/20/24/330272024.db2.gz	SCESQGNYRRFINI-INIZCTEOSA-N	1	1	370.453	2.403	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H]2CCO)c1C#N	ZINC000426250110	330272026	/nfs/dbraw/zinc/27/20/26/330272026.db2.gz	SCESQGNYRRFINI-INIZCTEOSA-N	1	1	370.453	2.403	20	30		FEEDMO
CC(=O)NCC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000554289455	674311287	/nfs/dbraw/zinc/31/12/87/674311287.db2.gz	CLADQXRZKXYCED-CQSZACIVSA-N	1	1	362.861	2.388	20	30		FEEDMO
CC(=O)NCC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000554289455	674311290	/nfs/dbraw/zinc/31/12/90/674311290.db2.gz	CLADQXRZKXYCED-CQSZACIVSA-N	1	1	362.861	2.388	20	30		FEEDMO
COc1cccc([C@H](CNS(=O)(=O)c2cccc(C)c2C#N)[NH+](C)C)c1	ZINC000156160454	545603857	/nfs/dbraw/zinc/60/38/57/545603857.db2.gz	OPKIOBXOTQVCAO-SFHVURJKSA-N	1	1	373.478	2.457	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1	ZINC000156445472	545627525	/nfs/dbraw/zinc/62/75/25/545627525.db2.gz	KCRIPQKGOXHFAG-LLVKDONJSA-N	1	1	373.400	2.340	20	30		FEEDMO
CCc1ccc(C[NH+]2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)s1	ZINC000156789664	545659834	/nfs/dbraw/zinc/65/98/34/545659834.db2.gz	MWMPIAZJAVRYLH-LJQANCHMSA-N	1	1	360.527	2.237	20	30		FEEDMO
C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC(=O)NCC#N)CC1	ZINC000159355754	545945761	/nfs/dbraw/zinc/94/57/61/545945761.db2.gz	BSZQQMWTJUZEMH-UHFFFAOYSA-N	1	1	368.403	2.241	20	30		FEEDMO
C[C@@H](c1ccncc1)N1CCC([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000159929043	545992637	/nfs/dbraw/zinc/99/26/37/545992637.db2.gz	DSIIMNAHNOQZPK-YWZLYKJASA-N	1	1	363.465	2.295	20	30		FEEDMO
C[C@H](c1ccncc1)N1CCC([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000159929458	545992827	/nfs/dbraw/zinc/99/28/27/545992827.db2.gz	DSIIMNAHNOQZPK-FOIQADDNSA-N	1	1	363.465	2.295	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1	ZINC000160708247	546065130	/nfs/dbraw/zinc/06/51/30/546065130.db2.gz	MOHBCLGEUWHANF-OAHLLOKOSA-N	1	1	372.469	2.132	20	30		FEEDMO
C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1	ZINC000162014134	546136427	/nfs/dbraw/zinc/13/64/27/546136427.db2.gz	YEENJBAAJIHCPJ-UHFFFAOYSA-N	1	1	361.445	2.189	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000166095143	546155164	/nfs/dbraw/zinc/15/51/64/546155164.db2.gz	WYLPVDHSWDFHHA-MDZRGWNJSA-N	1	1	350.507	2.058	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2cccc(OC)c2)N(C)C)CC1	ZINC000171699245	546220017	/nfs/dbraw/zinc/22/00/17/546220017.db2.gz	KVQMOCBIFUMSHL-IBGZPJMESA-N	1	1	360.502	2.248	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CC(N)=O)C1	ZINC000175229655	546307550	/nfs/dbraw/zinc/30/75/50/546307550.db2.gz	UFCCAXFALOQKAP-LSDHHAIUSA-N	1	1	374.510	2.464	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC(N)=O)C1	ZINC000175229655	546307554	/nfs/dbraw/zinc/30/75/54/546307554.db2.gz	UFCCAXFALOQKAP-LSDHHAIUSA-N	1	1	374.510	2.464	20	30		FEEDMO
COC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1OC	ZINC000479817510	561197643	/nfs/dbraw/zinc/19/76/43/561197643.db2.gz	RBJKSDTUTZICMK-UHFFFAOYSA-N	1	1	366.421	2.071	20	30		FEEDMO
N#C[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1	ZINC000176610808	546467759	/nfs/dbraw/zinc/46/77/59/546467759.db2.gz	MHYKRXXRNNRVBW-FQEVSTJZSA-N	1	1	354.498	2.393	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)c1ccc(F)c(C#N)c1)Cc1ccc(F)cc1	ZINC000176916983	546507612	/nfs/dbraw/zinc/50/76/12/546507612.db2.gz	NHWQNHCVZNVJPM-UHFFFAOYSA-N	1	1	365.405	2.247	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)c1ccc(F)c(C#N)c1)Cc1ccc(F)cc1	ZINC000176916983	546507617	/nfs/dbraw/zinc/50/76/17/546507617.db2.gz	NHWQNHCVZNVJPM-UHFFFAOYSA-N	1	1	365.405	2.247	20	30		FEEDMO
COCCOC[C@H]1CC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1	ZINC000177350879	546599515	/nfs/dbraw/zinc/59/95/15/546599515.db2.gz	AVKWSBLSZLTROU-AWEZNQCLSA-N	1	1	351.472	2.160	20	30		FEEDMO
COCCOC[C@H]1CC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1	ZINC000177350879	546599521	/nfs/dbraw/zinc/59/95/21/546599521.db2.gz	AVKWSBLSZLTROU-AWEZNQCLSA-N	1	1	351.472	2.160	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000178909250	546872119	/nfs/dbraw/zinc/87/21/19/546872119.db2.gz	BUUHHGDVWQANGP-APWZRJJASA-N	1	1	366.465	2.281	20	30		FEEDMO
CC(C)[C@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)N1CC[NH+](C)CC1	ZINC000180081943	547048483	/nfs/dbraw/zinc/04/84/83/547048483.db2.gz	NTOFQUJCDSLQRE-AEFFLSMTSA-N	1	1	373.501	2.371	20	30		FEEDMO
CC[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000181347220	547297540	/nfs/dbraw/zinc/29/75/40/547297540.db2.gz	JMHSDEVEFBXXDT-OALUTQOASA-N	1	1	352.438	2.296	20	30		FEEDMO
CC[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000181347220	547297546	/nfs/dbraw/zinc/29/75/46/547297546.db2.gz	JMHSDEVEFBXXDT-OALUTQOASA-N	1	1	352.438	2.296	20	30		FEEDMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1C	ZINC000181857755	547391949	/nfs/dbraw/zinc/39/19/49/547391949.db2.gz	SLOCRESUIPRLCU-VXGBXAGGSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@H]1C	ZINC000181857755	547391956	/nfs/dbraw/zinc/39/19/56/547391956.db2.gz	SLOCRESUIPRLCU-VXGBXAGGSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1C	ZINC000181857773	547392273	/nfs/dbraw/zinc/39/22/73/547392273.db2.gz	SLOCRESUIPRLCU-NWDGAFQWSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@H]1C	ZINC000181857773	547392277	/nfs/dbraw/zinc/39/22/77/547392277.db2.gz	SLOCRESUIPRLCU-NWDGAFQWSA-N	1	1	368.384	2.078	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000181881620	547397615	/nfs/dbraw/zinc/39/76/15/547397615.db2.gz	DAEUFQWSCMPIFN-HOTGVXAUSA-N	1	1	372.469	2.106	20	30		FEEDMO
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2OC)c1	ZINC000181919269	547405426	/nfs/dbraw/zinc/40/54/26/547405426.db2.gz	FIJDJBHNKODKMZ-CYBMUJFWSA-N	1	1	359.451	2.326	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000182621988	547523584	/nfs/dbraw/zinc/52/35/84/547523584.db2.gz	NXSJCTAZJPIYRJ-BBWFWOEESA-N	1	1	360.527	2.435	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(N4CCCC4=O)CC3)C2=O)cc1	ZINC000182748120	547546295	/nfs/dbraw/zinc/54/62/95/547546295.db2.gz	ZQOJQUAPATVJPD-LJQANCHMSA-N	1	1	366.465	2.140	20	30		FEEDMO
C=C(C)CN(C)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000182780489	547551415	/nfs/dbraw/zinc/55/14/15/547551415.db2.gz	BFWWVHOGEXWHKI-SFHVURJKSA-N	1	1	358.486	2.101	20	30		FEEDMO
Cc1oc(NC(=O)C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)c(C#N)c1C	ZINC000183082322	547598342	/nfs/dbraw/zinc/59/83/42/547598342.db2.gz	PWTCHTIHCWMLRB-PUAOIOHZSA-N	1	1	359.451	2.416	20	30		FEEDMO
CC(C)[N@@H+](CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000183167687	547614846	/nfs/dbraw/zinc/61/48/46/547614846.db2.gz	XBWLTQQNCACAEA-LJQANCHMSA-N	1	1	358.461	2.407	20	30		FEEDMO
COC(=O)c1cn(C2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)nn1	ZINC000183721722	547708056	/nfs/dbraw/zinc/70/80/56/547708056.db2.gz	GHZWMULVZFGLQF-UHFFFAOYSA-N	1	1	364.409	2.026	20	30		FEEDMO
CC[N@@H+](CCO)CCNC(=O)c1cccc(COc2ccccc2C#N)c1	ZINC000184003602	547753116	/nfs/dbraw/zinc/75/31/16/547753116.db2.gz	PMSQELZXBMJSMW-UHFFFAOYSA-N	1	1	367.449	2.181	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1	ZINC000185879763	548050499	/nfs/dbraw/zinc/05/04/99/548050499.db2.gz	RDNGEKVEMAXIMO-LPHOPBHVSA-N	1	1	371.462	2.291	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1	ZINC000185879763	548050501	/nfs/dbraw/zinc/05/05/01/548050501.db2.gz	RDNGEKVEMAXIMO-LPHOPBHVSA-N	1	1	371.462	2.291	20	30		FEEDMO
C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H](CCC#N)c1ccccc1	ZINC000185883361	548052034	/nfs/dbraw/zinc/05/20/34/548052034.db2.gz	PDCFCPOQHFJNFQ-PKOBYXMFSA-N	1	1	357.502	2.357	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@H+]1CC(C)(C)O	ZINC000186938273	548223845	/nfs/dbraw/zinc/22/38/45/548223845.db2.gz	UBLQQFCTGNOHTF-CQSZACIVSA-N	1	1	361.490	2.424	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C1CC[NH+](Cc2nccn2C)CC1	ZINC000187218188	548253071	/nfs/dbraw/zinc/25/30/71/548253071.db2.gz	AAHNRVYGALXUOH-UHFFFAOYSA-N	1	1	352.438	2.283	20	30		FEEDMO
C=C(C)CN(CC)C(=O)CNc1ccccc1C[NH+]1CCN(C(C)=O)CC1	ZINC000187520693	548258895	/nfs/dbraw/zinc/25/88/95/548258895.db2.gz	ZXTZSVWRUUOESU-UHFFFAOYSA-N	1	1	372.513	2.187	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1	ZINC000189162254	548297694	/nfs/dbraw/zinc/29/76/94/548297694.db2.gz	DQIPLTMJUMBTQM-CVEARBPZSA-N	1	1	372.469	2.026	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000189932184	548314365	/nfs/dbraw/zinc/31/43/65/548314365.db2.gz	UFFLMZAOJBIFLS-ROUUACIJSA-N	1	1	372.513	2.099	20	30		FEEDMO
C=CC[N@@H+](CCOC)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000191129238	548340531	/nfs/dbraw/zinc/34/05/31/548340531.db2.gz	BQOGTVXRJNUDKX-ZIUDEIKKSA-N	1	1	363.502	2.304	20	30		FEEDMO
C=CC[N@H+](CCOC)[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000191129238	548340537	/nfs/dbraw/zinc/34/05/37/548340537.db2.gz	BQOGTVXRJNUDKX-ZIUDEIKKSA-N	1	1	363.502	2.304	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1	ZINC000192341395	548362746	/nfs/dbraw/zinc/36/27/46/548362746.db2.gz	FTNMJFLALSLSFN-AWEZNQCLSA-N	1	1	368.437	2.063	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CC([N@H+](CC)CC(=O)OC(C)(C)C)C1	ZINC000486586941	561351609	/nfs/dbraw/zinc/35/16/09/561351609.db2.gz	NAJWXDCGOXMHIU-AJTLQJAISA-N	1	1	366.502	2.278	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NC1CC([N@@H+](CC)CC(=O)OC(C)(C)C)C1	ZINC000486586941	561351610	/nfs/dbraw/zinc/35/16/10/561351610.db2.gz	NAJWXDCGOXMHIU-AJTLQJAISA-N	1	1	366.502	2.278	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000194629377	548508189	/nfs/dbraw/zinc/50/81/89/548508189.db2.gz	USIUEHWVZZEUIA-LJQANCHMSA-N	1	1	361.445	2.245	20	30		FEEDMO
COCCOC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000245439817	548920302	/nfs/dbraw/zinc/92/03/02/548920302.db2.gz	GAJSIWJJTBCTDK-AGYKMIKPSA-N	1	1	365.518	2.291	20	30		FEEDMO
N#Cc1ccc(NC(=O)NCC[NH+]2CCSCC2)cc1Br	ZINC000487949258	561379649	/nfs/dbraw/zinc/37/96/49/561379649.db2.gz	FLJKOKXRDZGJGY-UHFFFAOYSA-N	1	1	369.288	2.491	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@H]1C	ZINC000245848182	549002269	/nfs/dbraw/zinc/00/22/69/549002269.db2.gz	LTOBDCYZXBJNGG-JTDSTZFVSA-N	1	1	358.461	2.265	20	30		FEEDMO
C=CCC[C@H](O)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1	ZINC000246042414	549040862	/nfs/dbraw/zinc/04/08/62/549040862.db2.gz	SBIUOBPXFCJHKZ-MSOLQXFVSA-N	1	1	366.527	2.312	20	30		FEEDMO
C=CCSCCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000246477500	549141161	/nfs/dbraw/zinc/14/11/61/549141161.db2.gz	ATRALNLPMVOZNF-ROUUACIJSA-N	1	1	363.527	2.088	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](Cn2ccnn2)C1	ZINC000246581327	549168008	/nfs/dbraw/zinc/16/80/08/549168008.db2.gz	GCXQEECJPWTLAR-ZWKOTPCHSA-N	1	1	366.469	2.325	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000246936865	549247105	/nfs/dbraw/zinc/24/71/05/549247105.db2.gz	SDKMYBFTAYISBP-GXTWGEPZSA-N	1	1	374.510	2.236	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1	ZINC000489162348	561404831	/nfs/dbraw/zinc/40/48/31/561404831.db2.gz	RSKALOFVVWACNU-FQEVSTJZSA-N	1	1	357.454	2.179	20	30		FEEDMO
C[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC[N@H+]1Cc1ccccc1	ZINC000247705068	549373526	/nfs/dbraw/zinc/37/35/26/549373526.db2.gz	YRCYEDCWTWCRNB-LAUBAEHRSA-N	1	1	354.498	2.391	20	30		FEEDMO
Cc1cccc(N2CCC(NS(=O)(=O)c3ccc(C#N)c(F)c3)CC2)[nH+]1	ZINC000489468792	561412177	/nfs/dbraw/zinc/41/21/77/561412177.db2.gz	CGZGBNWXRVNCBW-UHFFFAOYSA-N	1	1	374.441	2.348	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC	ZINC000248794692	549503468	/nfs/dbraw/zinc/50/34/68/549503468.db2.gz	DXQWQCXZSWZNAS-XFKSJGNHSA-N	1	1	359.466	2.428	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC	ZINC000248794692	549503471	/nfs/dbraw/zinc/50/34/71/549503471.db2.gz	DXQWQCXZSWZNAS-XFKSJGNHSA-N	1	1	359.466	2.428	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)c1ccc(C#N)c(F)c1)Cc1ccc(F)cc1	ZINC000489540683	561413820	/nfs/dbraw/zinc/41/38/20/561413820.db2.gz	JEWJZEVVOMHZGK-UHFFFAOYSA-N	1	1	365.405	2.247	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)c1ccc(C#N)c(F)c1)Cc1ccc(F)cc1	ZINC000489540683	561413821	/nfs/dbraw/zinc/41/38/21/561413821.db2.gz	JEWJZEVVOMHZGK-UHFFFAOYSA-N	1	1	365.405	2.247	20	30		FEEDMO
Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(C#N)c(F)c3)CC2)[nH+]c1	ZINC000489546892	561413919	/nfs/dbraw/zinc/41/39/19/561413919.db2.gz	LSRQYHBEHXNSFV-UHFFFAOYSA-N	1	1	374.441	2.348	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000249129753	549556871	/nfs/dbraw/zinc/55/68/71/549556871.db2.gz	URCFUWBEZMMATL-LZLYRXPVSA-N	1	1	357.454	2.453	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000249129753	549556874	/nfs/dbraw/zinc/55/68/74/549556874.db2.gz	URCFUWBEZMMATL-LZLYRXPVSA-N	1	1	357.454	2.453	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1	ZINC000249410927	549589095	/nfs/dbraw/zinc/58/90/95/549589095.db2.gz	VGJKSBVIZSMIOZ-APWZRJJASA-N	1	1	373.497	2.265	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C1	ZINC000255122221	549704131	/nfs/dbraw/zinc/70/41/31/549704131.db2.gz	LNCQPIDYUXWXJN-BRWVUGGUSA-N	1	1	350.507	2.011	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1	ZINC000263875606	549949608	/nfs/dbraw/zinc/94/96/08/549949608.db2.gz	NHOWUDISIOVTLQ-MSOLQXFVSA-N	1	1	357.454	2.323	20	30		FEEDMO
COc1ccc(C[NH2+]CCCN2CCN(C)CC2)cc1OCCCC#N	ZINC000263891107	549951454	/nfs/dbraw/zinc/95/14/54/549951454.db2.gz	MYFMVNUVRLGFJR-UHFFFAOYSA-N	1	1	360.502	2.105	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)C[C@@H](C)O1	ZINC000264081268	549976606	/nfs/dbraw/zinc/97/66/06/549976606.db2.gz	DLHLCKJECPQKDO-HZPDHXFCSA-N	1	1	357.454	2.037	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)NCC#Cc2ccccc2)C[C@H](C)O1	ZINC000264286848	549994027	/nfs/dbraw/zinc/99/40/27/549994027.db2.gz	TXMCCJMPQRSGGW-NSHGMRRFSA-N	1	1	355.482	2.321	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)NCC#Cc2ccccc2)C[C@H](C)O1	ZINC000264286848	549994028	/nfs/dbraw/zinc/99/40/28/549994028.db2.gz	TXMCCJMPQRSGGW-NSHGMRRFSA-N	1	1	355.482	2.321	20	30		FEEDMO
COC(=O)[C@@H]1CC12CC[NH+](CC(=O)N(CCC#N)c1ccccc1)CC2	ZINC000265042893	550005237	/nfs/dbraw/zinc/00/52/37/550005237.db2.gz	KIHWPXMCVYMWBD-KRWDZBQOSA-N	1	1	355.438	2.208	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H](C)CS(=O)(=O)CC)C(C)C	ZINC000265096696	550006227	/nfs/dbraw/zinc/00/62/27/550006227.db2.gz	RTOSHSJYYJDBKA-IAGOWNOFSA-N	1	1	373.563	2.150	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)NCC#Cc2ccccc2)[C@@H](C)C1	ZINC000265156399	550006625	/nfs/dbraw/zinc/00/66/25/550006625.db2.gz	CZJSOGKYCFOBJE-ICSRJNTNSA-N	1	1	357.498	2.474	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1	ZINC000265675383	550013418	/nfs/dbraw/zinc/01/34/18/550013418.db2.gz	ZAVIYZQGVAQEMD-ZDUSSCGKSA-N	1	1	353.426	2.052	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1	ZINC000265675383	550013420	/nfs/dbraw/zinc/01/34/20/550013420.db2.gz	ZAVIYZQGVAQEMD-ZDUSSCGKSA-N	1	1	353.426	2.052	20	30		FEEDMO
COc1ccc(C(=O)N2CC[NH+](CCCSCC#N)CC2)cc1OC	ZINC000266721023	550023414	/nfs/dbraw/zinc/02/34/14/550023414.db2.gz	JLQGCJMSNKTOPZ-UHFFFAOYSA-N	1	1	363.483	2.108	20	30		FEEDMO
C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)CCCSCC#N	ZINC000266716680	550023478	/nfs/dbraw/zinc/02/34/78/550023478.db2.gz	ITOIRJIMZJZTMP-UHFFFAOYSA-N	1	1	356.513	2.438	20	30		FEEDMO
COc1ccc(C(=O)N2CC[NH+](CCCCC#N)CC2)c(OC)c1OC	ZINC000267009393	550026717	/nfs/dbraw/zinc/02/67/17/550026717.db2.gz	HAINGKFSUYRARS-UHFFFAOYSA-N	1	1	361.442	2.164	20	30		FEEDMO
N#CCCN(C(=O)C[NH+]1CCC2(CNC(=O)C2)CC1)c1cccc(Cl)c1	ZINC000267679112	550033945	/nfs/dbraw/zinc/03/39/45/550033945.db2.gz	PZCIRBVBWZMYSM-UHFFFAOYSA-N	1	1	374.872	2.189	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)CNc1cccc([C@H](C)[NH+]2CCOCC2)c1	ZINC000267984049	550036537	/nfs/dbraw/zinc/03/65/37/550036537.db2.gz	HKTCCIMKCARJBH-IRXDYDNUSA-N	1	1	358.486	2.500	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1	ZINC000268090693	550037386	/nfs/dbraw/zinc/03/73/86/550037386.db2.gz	KOACMPKWKZSGME-YLJYHZDGSA-N	1	1	359.470	2.428	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1	ZINC000268090693	550037389	/nfs/dbraw/zinc/03/73/89/550037389.db2.gz	KOACMPKWKZSGME-YLJYHZDGSA-N	1	1	359.470	2.428	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3ccncc3)CC2)cc1	ZINC000268606604	550093432	/nfs/dbraw/zinc/09/34/32/550093432.db2.gz	HQHJBNFGNWUOGK-UHFFFAOYSA-N	1	1	363.465	2.413	20	30		FEEDMO
CCCNC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1	ZINC000492989225	561453874	/nfs/dbraw/zinc/45/38/74/561453874.db2.gz	DYAAVZFGIGJNRL-UHFFFAOYSA-N	1	1	363.465	2.415	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CC1)OCCc1ccsc12	ZINC000492602043	561451910	/nfs/dbraw/zinc/45/19/10/561451910.db2.gz	NNCVNGPEHVNVPV-ZDUSSCGKSA-N	1	1	363.483	2.012	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)CC[C@@H]21	ZINC000269121034	550157761	/nfs/dbraw/zinc/15/77/61/550157761.db2.gz	SGBHYZVDKGIEHO-CJNGLKHVSA-N	1	1	360.845	2.093	20	30		FEEDMO
C=CCC[C@@H](NC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1	ZINC000269335432	550182511	/nfs/dbraw/zinc/18/25/11/550182511.db2.gz	DJKAHVBLFWTHHU-MSOLQXFVSA-N	1	1	358.486	2.333	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CC1	ZINC000269337189	550183067	/nfs/dbraw/zinc/18/30/67/550183067.db2.gz	ZWAPOTPGJQMDIE-UHFFFAOYSA-N	1	1	361.445	2.465	20	30		FEEDMO
N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)c1	ZINC000269664647	550215232	/nfs/dbraw/zinc/21/52/32/550215232.db2.gz	KMHISFLNPPNCGF-SFHVURJKSA-N	1	1	353.470	2.009	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)OCC	ZINC000270082432	550247830	/nfs/dbraw/zinc/24/78/30/550247830.db2.gz	VPUYWBIACBHZCL-QZTJIDSGSA-N	1	1	360.502	2.080	20	30		FEEDMO
COCC1(O)CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1	ZINC000270358892	550264759	/nfs/dbraw/zinc/26/47/59/550264759.db2.gz	JOLIPSSOJNCBHF-UHFFFAOYSA-N	1	1	359.470	2.023	20	30		FEEDMO
N#Cc1csc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1	ZINC000270584426	550286472	/nfs/dbraw/zinc/28/64/72/550286472.db2.gz	DFJXEJGOYLMXBI-IAGOWNOFSA-N	1	1	355.463	2.233	20	30		FEEDMO
CCC[C@@H]1CN(CC(=O)N(CCC#N)c2ccccc2)CC[N@H+]1CCOC	ZINC000270979519	550327741	/nfs/dbraw/zinc/32/77/41/550327741.db2.gz	CCENKIFUSSFWGF-HXUWFJFHSA-N	1	1	372.513	2.366	20	30		FEEDMO
C=CCc1cc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)cc(OC)c1O	ZINC000271126365	550342662	/nfs/dbraw/zinc/34/26/62/550342662.db2.gz	HJDPEILUKJHAFJ-GOSISDBHSA-N	1	1	367.486	2.364	20	30		FEEDMO
C=CCN(C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1	ZINC000271569140	550386512	/nfs/dbraw/zinc/38/65/12/550386512.db2.gz	PJAXQNGFLVDEPH-SFHVURJKSA-N	1	1	370.497	2.244	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1	ZINC000494278556	561466282	/nfs/dbraw/zinc/46/62/82/561466282.db2.gz	AXOKSKZIICFISA-NHCUHLMSSA-N	1	1	371.525	2.422	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccnc4[nH]cnc43)CC2)cc1	ZINC000272303711	550436472	/nfs/dbraw/zinc/43/64/72/550436472.db2.gz	XCPBDOIJDPHNFR-UHFFFAOYSA-N	1	1	360.421	2.178	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccnc4[nH]cnc43)CC2)cc1	ZINC000272303711	550436475	/nfs/dbraw/zinc/43/64/75/550436475.db2.gz	XCPBDOIJDPHNFR-UHFFFAOYSA-N	1	1	360.421	2.178	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)[C@H]2C1	ZINC000272358771	550440455	/nfs/dbraw/zinc/44/04/55/550440455.db2.gz	RVNWMWNHXRAYJC-ZBFHGGJFSA-N	1	1	372.494	2.183	20	30		FEEDMO
C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(C)(C#N)CC1	ZINC000272617364	550461263	/nfs/dbraw/zinc/46/12/63/550461263.db2.gz	UBFBKSVLXPACQO-ZDUSSCGKSA-N	1	1	372.425	2.120	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000274838558	550558417	/nfs/dbraw/zinc/55/84/17/550558417.db2.gz	NWUDVWGYZKWGMH-PBEJRMEISA-N	1	1	354.498	2.295	20	30		FEEDMO
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000274838558	550558420	/nfs/dbraw/zinc/55/84/20/550558420.db2.gz	NWUDVWGYZKWGMH-PBEJRMEISA-N	1	1	354.498	2.295	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000275734610	550574065	/nfs/dbraw/zinc/57/40/65/550574065.db2.gz	VGJOAWPIHZHPSM-HZPDHXFCSA-N	1	1	356.470	2.475	20	30		FEEDMO
C=C[C@H]1CCCCN1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000494863646	561478055	/nfs/dbraw/zinc/47/80/55/561478055.db2.gz	DQQHWCHRGVCUTA-SFHVURJKSA-N	1	1	357.502	2.344	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C[C@H](O)COc1ccccc1)C(C)C	ZINC000277716372	550705725	/nfs/dbraw/zinc/70/57/25/550705725.db2.gz	FQBWXVLFBCVGGO-ROUUACIJSA-N	1	1	361.486	2.145	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc([C@@H]3CC(=O)N(Cc4ccccc4)C3)no2)CC1	ZINC000277873671	550724007	/nfs/dbraw/zinc/72/40/07/550724007.db2.gz	KLUXPAMKIMHXJR-GOSISDBHSA-N	1	1	364.449	2.398	20	30		FEEDMO
C=CCOc1ccc(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1OC	ZINC000278415723	550783199	/nfs/dbraw/zinc/78/31/99/550783199.db2.gz	FSPMNDUBPLMMPM-INIZCTEOSA-N	1	1	362.470	2.491	20	30		FEEDMO
Cn1ncc(Br)c1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000278425903	550784789	/nfs/dbraw/zinc/78/47/89/550784789.db2.gz	JFEHLCHVEFRNGK-UHFFFAOYSA-N	1	1	374.286	2.372	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1CCC(=O)Nc1ccc(C#N)cc1	ZINC000278600435	550803152	/nfs/dbraw/zinc/80/31/52/550803152.db2.gz	IJJUKEXJMVRUNB-INIZCTEOSA-N	1	1	356.470	2.072	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNC(=O)/C=C/c2ccc(OCC#N)cc2)CCCO1	ZINC000278682820	550811112	/nfs/dbraw/zinc/81/11/12/550811112.db2.gz	ULVJGBFHLYIORE-RCMYXZNBSA-N	1	1	357.454	2.219	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C[C@H](C)O1	ZINC000278898090	550833678	/nfs/dbraw/zinc/83/36/78/550833678.db2.gz	FJTMNLCEZSKZLJ-GASCZTMLSA-N	1	1	368.437	2.442	20	30		FEEDMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000278918099	550835606	/nfs/dbraw/zinc/83/56/06/550835606.db2.gz	UNZKSNJBJPLWRZ-JKSUJKDBSA-N	1	1	357.454	2.037	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1	ZINC000279276214	550872348	/nfs/dbraw/zinc/87/23/48/550872348.db2.gz	XFYQTRJIWWXEQY-WOJBJXKFSA-N	1	1	373.497	2.233	20	30		FEEDMO
N#Cc1cc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)ccc1F	ZINC000279281039	550872983	/nfs/dbraw/zinc/87/29/83/550872983.db2.gz	XNWHGEBCTCOGKQ-GOSISDBHSA-N	1	1	366.396	2.399	20	30		FEEDMO
N#Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)ccc1F	ZINC000279281039	550872984	/nfs/dbraw/zinc/87/29/84/550872984.db2.gz	XNWHGEBCTCOGKQ-GOSISDBHSA-N	1	1	366.396	2.399	20	30		FEEDMO
C=CCOc1ccc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1OC	ZINC000279316891	550876908	/nfs/dbraw/zinc/87/69/08/550876908.db2.gz	ODOCZZYAJNWHEU-UHFFFAOYSA-N	1	1	362.470	2.443	20	30		FEEDMO
C=CCOc1ccc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1OC	ZINC000279316891	550876909	/nfs/dbraw/zinc/87/69/09/550876909.db2.gz	ODOCZZYAJNWHEU-UHFFFAOYSA-N	1	1	362.470	2.443	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c(-c2ccncc2)n1	ZINC000279483907	550895263	/nfs/dbraw/zinc/89/52/63/550895263.db2.gz	XDTREGWDQXDXRF-SFHVURJKSA-N	1	1	364.453	2.055	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)C2=O)cc1	ZINC000279640136	550911475	/nfs/dbraw/zinc/91/14/75/550911475.db2.gz	ZXXILSBLLULIBW-JYJNAYRXSA-N	1	1	367.371	2.441	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)C2=O)cc1	ZINC000279640136	550911476	/nfs/dbraw/zinc/91/14/76/550911476.db2.gz	ZXXILSBLLULIBW-JYJNAYRXSA-N	1	1	367.371	2.441	20	30		FEEDMO
C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC000279655305	550913112	/nfs/dbraw/zinc/91/31/12/550913112.db2.gz	DZWJQKDDCWECAE-CQSZACIVSA-N	1	1	368.437	2.130	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC000279655305	550913113	/nfs/dbraw/zinc/91/31/13/550913113.db2.gz	DZWJQKDDCWECAE-CQSZACIVSA-N	1	1	368.437	2.130	20	30		FEEDMO
C[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1CC(C)(C)O	ZINC000279762816	550926417	/nfs/dbraw/zinc/92/64/17/550926417.db2.gz	PLSQGTMQSJFUMK-AWEZNQCLSA-N	1	1	368.437	2.130	20	30		FEEDMO
C[C@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1CC(C)(C)O	ZINC000279762816	550926418	/nfs/dbraw/zinc/92/64/18/550926418.db2.gz	PLSQGTMQSJFUMK-AWEZNQCLSA-N	1	1	368.437	2.130	20	30		FEEDMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(C(C)(C)C#N)cc1	ZINC000280408072	550990561	/nfs/dbraw/zinc/99/05/61/550990561.db2.gz	YHWBFFOMVNEBES-GOSISDBHSA-N	1	1	370.497	2.160	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000280613793	551013495	/nfs/dbraw/zinc/01/34/95/551013495.db2.gz	XVTIOAUXHRBCFN-YSIASYRMSA-N	1	1	354.498	2.058	20	30		FEEDMO
CN(C(=O)[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1)c1ccccc1	ZINC000280700350	551022922	/nfs/dbraw/zinc/02/29/22/551022922.db2.gz	GYBTWFIQTWZTHT-KRWDZBQOSA-N	1	1	368.481	2.314	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1	ZINC000280705973	551023548	/nfs/dbraw/zinc/02/35/48/551023548.db2.gz	HEYRDWUIJZKWMX-HXUWFJFHSA-N	1	1	352.438	2.196	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+](CCC(N)=O)Cc1ccccc1)c1ccccc1	ZINC000280868845	551040760	/nfs/dbraw/zinc/04/07/60/551040760.db2.gz	DYZVPPDNAMJHHS-UHFFFAOYSA-N	1	1	364.449	2.311	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+](CCC(N)=O)Cc1ccccc1)c1ccccc1	ZINC000280868845	551040762	/nfs/dbraw/zinc/04/07/62/551040762.db2.gz	DYZVPPDNAMJHHS-UHFFFAOYSA-N	1	1	364.449	2.311	20	30		FEEDMO
C#C[C@H](NC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C	ZINC000281556794	551112972	/nfs/dbraw/zinc/11/29/72/551112972.db2.gz	OPPZGHBWDYBNHT-JZXOWHBKSA-N	1	1	371.481	2.008	20	30		FEEDMO
C#C[C@H](NC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C	ZINC000281556794	551112974	/nfs/dbraw/zinc/11/29/74/551112974.db2.gz	OPPZGHBWDYBNHT-JZXOWHBKSA-N	1	1	371.481	2.008	20	30		FEEDMO
CCC[C@H]1CN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000281644680	551124936	/nfs/dbraw/zinc/12/49/36/551124936.db2.gz	RIGAZHUZNKDLMC-UXHICEINSA-N	1	1	368.481	2.200	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1(C)C	ZINC000281656182	551126407	/nfs/dbraw/zinc/12/64/07/551126407.db2.gz	CUGFKTIONMJDGG-UHFFFAOYSA-N	1	1	360.506	2.262	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1	ZINC000497405051	561500131	/nfs/dbraw/zinc/50/01/31/561500131.db2.gz	FMYWYCYPAFBBAG-GQIGUUNPSA-N	1	1	364.534	2.304	20	30		FEEDMO
Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000282922201	551285438	/nfs/dbraw/zinc/28/54/38/551285438.db2.gz	SSHSAKNBKZJHIW-UHFFFAOYSA-N	1	1	372.372	2.451	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c(F)c1	ZINC000283086313	551309500	/nfs/dbraw/zinc/30/95/00/551309500.db2.gz	YOSUACGRMOEXCJ-CHWSQXEVSA-N	1	1	363.408	2.121	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c(F)c1	ZINC000283421754	551363606	/nfs/dbraw/zinc/36/36/06/551363606.db2.gz	XPVWWHGDJOUCAF-CQSZACIVSA-N	1	1	363.408	2.217	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1	ZINC000283531155	551382844	/nfs/dbraw/zinc/38/28/44/551382844.db2.gz	DDYDHGXIUCZUCP-IXDOHACOSA-N	1	1	370.497	2.220	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000498322469	561522090	/nfs/dbraw/zinc/52/20/90/561522090.db2.gz	MZFKRHKOEAIANL-IYWMVGAKSA-N	1	1	361.482	2.017	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000498322469	561522091	/nfs/dbraw/zinc/52/20/91/561522091.db2.gz	MZFKRHKOEAIANL-IYWMVGAKSA-N	1	1	361.482	2.017	20	30		FEEDMO
C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000284589849	551584247	/nfs/dbraw/zinc/58/42/47/551584247.db2.gz	LWGFYAPJQDGTMS-NSHDSACASA-N	1	1	356.348	2.107	20	30		FEEDMO
CCOc1cccc(/C=N\C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1O	ZINC000285457220	551759623	/nfs/dbraw/zinc/75/96/23/551759623.db2.gz	QLWBSTYDJIAZCT-PEEGHXIXSA-N	1	1	359.470	2.293	20	30		FEEDMO
CC(C)(C#N)CC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000285729935	551802200	/nfs/dbraw/zinc/80/22/00/551802200.db2.gz	IVHGKHJCVHYMDS-LJQANCHMSA-N	1	1	354.498	2.345	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000285833222	551816825	/nfs/dbraw/zinc/81/68/25/551816825.db2.gz	OOFMVCUVHYWSRW-LJQANCHMSA-N	1	1	357.498	2.092	20	30		FEEDMO
N#Cc1ccc(N2CCC([NH2+]C3CCN([C@@H]4CCC[C@H]4O)CC3)CC2)cc1	ZINC000286096605	551848224	/nfs/dbraw/zinc/84/82/24/551848224.db2.gz	MIQLYVFKMZVUBN-FGZHOGPDSA-N	1	1	368.525	2.494	20	30		FEEDMO
CN(CCC[NH+]1CCN(C)CC1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000286155053	551855386	/nfs/dbraw/zinc/85/53/86/551855386.db2.gz	WAXVSNTUVISMNQ-UHFFFAOYSA-N	1	1	360.477	2.071	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286631851	551908482	/nfs/dbraw/zinc/90/84/82/551908482.db2.gz	ZKUPREHKJLLGPH-YOEHRIQHSA-N	1	1	369.444	2.481	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)N3CC[N@H+]4CCCC[C@H]4C3)C2)c(F)c1	ZINC000286886047	551936504	/nfs/dbraw/zinc/93/65/04/551936504.db2.gz	IUBFRHBWFYKECZ-IRXDYDNUSA-N	1	1	356.445	2.220	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1	ZINC000286887868	551936895	/nfs/dbraw/zinc/93/68/95/551936895.db2.gz	DSBZEXFLQYWEHH-FPOVZHCZSA-N	1	1	370.541	2.194	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@](F)(CO)C1)CCC2	ZINC000287140889	551968593	/nfs/dbraw/zinc/96/85/93/551968593.db2.gz	YFXCLOHXSJCCDD-QGZVFWFLSA-N	1	1	351.447	2.233	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@](F)(CO)C1)CCC2	ZINC000287140889	551968595	/nfs/dbraw/zinc/96/85/95/551968595.db2.gz	YFXCLOHXSJCCDD-QGZVFWFLSA-N	1	1	351.447	2.233	20	30		FEEDMO
C[C@@H](c1cccnc1)[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(C#N)c2)CC1	ZINC000287292090	551985906	/nfs/dbraw/zinc/98/59/06/551985906.db2.gz	MGYPRNULQJADRX-ZDUSSCGKSA-N	1	1	352.398	2.327	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)[N@@H+]1CCc2ccccc2C1	ZINC000500431166	561572764	/nfs/dbraw/zinc/57/27/64/561572764.db2.gz	UABKZSXJCSKQOJ-AWEZNQCLSA-N	1	1	373.453	2.422	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)[N@H+]1CCc2ccccc2C1	ZINC000500431166	561572765	/nfs/dbraw/zinc/57/27/65/561572765.db2.gz	UABKZSXJCSKQOJ-AWEZNQCLSA-N	1	1	373.453	2.422	20	30		FEEDMO
C=C(C)C[NH+]1CCC(N[C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1	ZINC000289725011	552368343	/nfs/dbraw/zinc/36/83/43/552368343.db2.gz	LLANVACNGIFGOT-LJQANCHMSA-N	1	1	363.527	2.342	20	30		FEEDMO
CC[C@](C)([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1nc(C)cs1	ZINC000289979470	552409168	/nfs/dbraw/zinc/40/91/68/552409168.db2.gz	QMNXOFPONIPTLA-INIZCTEOSA-N	1	1	364.496	2.407	20	30		FEEDMO
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000290086647	552425071	/nfs/dbraw/zinc/42/50/71/552425071.db2.gz	PGZNCBNDEQNEBG-GFCCVEGCSA-N	1	1	350.850	2.387	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1	ZINC000290438971	552479060	/nfs/dbraw/zinc/47/90/60/552479060.db2.gz	RRRWGPBWHOMPGW-IBGZPJMESA-N	1	1	370.432	2.349	20	30		FEEDMO
CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000501024735	561587941	/nfs/dbraw/zinc/58/79/41/561587941.db2.gz	XDNXOJKZVGDUAQ-HXUWFJFHSA-N	1	1	363.465	2.328	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1	ZINC000501074308	561589094	/nfs/dbraw/zinc/58/90/94/561589094.db2.gz	FAGSSALUNFYOSG-IBGZPJMESA-N	1	1	357.498	2.494	20	30		FEEDMO
CC[NH+](CC)CCOc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1	ZINC000290941645	552566039	/nfs/dbraw/zinc/56/60/39/552566039.db2.gz	LNXYBVFYSHLRTG-UHFFFAOYSA-N	1	1	374.466	2.475	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1	ZINC000291194645	552598593	/nfs/dbraw/zinc/59/85/93/552598593.db2.gz	JTHDFNXIKSMWJD-RBUKOAKNSA-N	1	1	356.470	2.223	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000291636940	552646257	/nfs/dbraw/zinc/64/62/57/552646257.db2.gz	BZNUORNUOFBJKV-MSOLQXFVSA-N	1	1	371.485	2.236	20	30		FEEDMO
Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nnn1C(C)C	ZINC000292401881	552723670	/nfs/dbraw/zinc/72/36/70/552723670.db2.gz	YIDVLJOEVLIJBO-UHFFFAOYSA-N	1	1	366.469	2.387	20	30		FEEDMO
Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nnn1C(C)C	ZINC000292401881	552723672	/nfs/dbraw/zinc/72/36/72/552723672.db2.gz	YIDVLJOEVLIJBO-UHFFFAOYSA-N	1	1	366.469	2.387	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H](C)O1	ZINC000292552625	552737677	/nfs/dbraw/zinc/73/76/77/552737677.db2.gz	HKPWCDFAPMDQFT-JTDSTZFVSA-N	1	1	370.497	2.338	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H](C)O1	ZINC000292552625	552737678	/nfs/dbraw/zinc/73/76/78/552737678.db2.gz	HKPWCDFAPMDQFT-JTDSTZFVSA-N	1	1	370.497	2.338	20	30		FEEDMO
Cc1nnsc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000293265632	552805019	/nfs/dbraw/zinc/80/50/19/552805019.db2.gz	GHZSBPBTRMGNQP-UHFFFAOYSA-N	1	1	370.482	2.136	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OCCC)c(Cl)c1	ZINC000293297458	552808823	/nfs/dbraw/zinc/80/88/23/552808823.db2.gz	HIJXQULOMCWIIV-UHFFFAOYSA-N	1	1	365.861	2.139	20	30		FEEDMO
C[N@@H+](C[C@@H](O)Cc1ccccc1)[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000293486251	552828667	/nfs/dbraw/zinc/82/86/67/552828667.db2.gz	YMSMJLVVMGWUSU-IRXDYDNUSA-N	1	1	355.463	2.260	20	30		FEEDMO
CCOC(=O)[C@H](F)C1C[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000293833153	552860795	/nfs/dbraw/zinc/86/07/95/552860795.db2.gz	GSRCIUUKLCNPDX-QGZVFWFLSA-N	1	1	356.401	2.292	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1	ZINC000293933984	552869010	/nfs/dbraw/zinc/86/90/10/552869010.db2.gz	IFBSEEHSLGMWPT-QGZVFWFLSA-N	1	1	356.470	2.002	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1cccc(CSc2nccn2C)c1	ZINC000293987901	552873142	/nfs/dbraw/zinc/87/31/42/552873142.db2.gz	NMXIQGFGLPKXOL-UHFFFAOYSA-N	1	1	356.495	2.397	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000294243645	552890782	/nfs/dbraw/zinc/89/07/82/552890782.db2.gz	PLRYHWPSJUYSFI-SJORKVTESA-N	1	1	351.447	2.086	20	30		FEEDMO
C[NH+](C)CCCN(CCC#N)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1	ZINC000294638526	552922787	/nfs/dbraw/zinc/92/27/87/552922787.db2.gz	GRFCGYQFAMHYCU-UHFFFAOYSA-N	1	1	370.413	2.292	20	30		FEEDMO
CN(CC[N@@H+](C)CCCCC(C)(C)C#N)c1ccc(S(N)(=O)=O)cc1	ZINC000295220022	552970995	/nfs/dbraw/zinc/97/09/95/552970995.db2.gz	NDKNOLLSRSXPIK-UHFFFAOYSA-N	1	1	366.531	2.422	20	30		FEEDMO
COc1cccc([C@H](CNS(=O)(=O)CC(C)(C)CC#N)[NH+](C)C)c1	ZINC000295276963	552980664	/nfs/dbraw/zinc/98/06/64/552980664.db2.gz	KDSOWZXZINJZSD-INIZCTEOSA-N	1	1	353.488	2.157	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC3(CCC(O)CC3)CC2)cc1	ZINC000295660462	553041003	/nfs/dbraw/zinc/04/10/03/553041003.db2.gz	IFKWOWDJULJFBE-UHFFFAOYSA-N	1	1	362.495	2.349	20	30		FEEDMO
N#C[C@@]1(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC12CCCC2	ZINC000295721246	553049856	/nfs/dbraw/zinc/04/98/56/553049856.db2.gz	UHLPLUINPDKFHO-GHTZIAJQSA-N	1	1	353.466	2.343	20	30		FEEDMO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)s1	ZINC000296037254	553094046	/nfs/dbraw/zinc/09/40/46/553094046.db2.gz	ORKZPFNGILDXKE-GFCCVEGCSA-N	1	1	374.510	2.456	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1	ZINC000296169105	553115906	/nfs/dbraw/zinc/11/59/06/553115906.db2.gz	NLBXZNMQKCTNAM-AZUAARDMSA-N	1	1	356.466	2.383	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1	ZINC000296420897	553156985	/nfs/dbraw/zinc/15/69/85/553156985.db2.gz	RYOVKJKMCWYUME-INIZCTEOSA-N	1	1	356.470	2.129	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000297635674	553318420	/nfs/dbraw/zinc/31/84/20/553318420.db2.gz	IHKBMDKOXXELNY-ZIFCJYIRSA-N	1	1	370.497	2.116	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1	ZINC000503607107	561645429	/nfs/dbraw/zinc/64/54/29/561645429.db2.gz	HBOXBESIXPUDCA-HXUWFJFHSA-N	1	1	372.469	2.300	20	30		FEEDMO
C#CCNC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)nc1	ZINC000301323918	553642413	/nfs/dbraw/zinc/64/24/13/553642413.db2.gz	WXPGFHYXSGECKT-VQIMIIECSA-N	1	1	363.465	2.162	20	30		FEEDMO
N#Cc1ccccc1S(=O)(=O)N1CCN(c2cc[nH+]cc2Cl)CC1	ZINC000301586735	553663917	/nfs/dbraw/zinc/66/39/17/553663917.db2.gz	PFXLHQXYKTWRQX-UHFFFAOYSA-N	1	1	362.842	2.118	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1	ZINC000328665200	553804913	/nfs/dbraw/zinc/80/49/13/553804913.db2.gz	CELHGSNDLHTTEJ-IXDOHACOSA-N	1	1	359.470	2.496	20	30		FEEDMO
C[C@H](CNC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O)[N@H+]1CCC[C@@H](C)C1	ZINC000328682416	553806641	/nfs/dbraw/zinc/80/66/41/553806641.db2.gz	DAERPMVMWWUKTG-BDXSIMOUSA-N	1	1	367.534	2.178	20	30		FEEDMO
Cc1c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)nnn1CC1CCCC1	ZINC000328691132	553807900	/nfs/dbraw/zinc/80/79/00/553807900.db2.gz	DSQRSQWOHKJIPG-UHFFFAOYSA-N	1	1	362.522	2.107	20	30		FEEDMO
C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCOC[C@H](C)C1	ZINC000328703028	553809798	/nfs/dbraw/zinc/80/97/98/553809798.db2.gz	XPQQMXJBNCZPPW-OLZOCXBDSA-N	1	1	363.414	2.317	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1)N1CC[NH+](C)CC1	ZINC000328846080	553831962	/nfs/dbraw/zinc/83/19/62/553831962.db2.gz	VLBGHRXUAHMOOL-GFCCVEGCSA-N	1	1	365.865	2.298	20	30		FEEDMO
O=C(Cn1nc(-c2ccccc2)ccc1=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000328920309	553844888	/nfs/dbraw/zinc/84/48/88/553844888.db2.gz	LSPCJLWDKLYJDD-MSOLQXFVSA-N	1	1	352.438	2.494	20	30		FEEDMO
CN(CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCSC1	ZINC000328971361	553856242	/nfs/dbraw/zinc/85/62/42/553856242.db2.gz	VCNPNRMEAQDTCQ-BBWFWOEESA-N	1	1	355.548	2.148	20	30		FEEDMO
C[C@@H]1CN(CC(=O)NCc2ccccc2CN2CCCC2=O)[C@@H](C)C[N@H+]1C	ZINC000329002990	553862478	/nfs/dbraw/zinc/86/24/78/553862478.db2.gz	LSLQUJGHXZDCMY-SJORKVTESA-N	1	1	372.513	2.290	20	30		FEEDMO
CC(C)[C@H](CNC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)[NH+]1CCOCC1	ZINC000329011607	553864152	/nfs/dbraw/zinc/86/41/52/553864152.db2.gz	ZZQJPRBCUSMHGN-BPQIPLTHSA-N	1	1	364.490	2.201	20	30		FEEDMO
C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+]1CCC(C)(C#N)CC1	ZINC000506046745	561688530	/nfs/dbraw/zinc/68/85/30/561688530.db2.gz	BSXADOZQQAWMHH-HNNXBMFYSA-N	1	1	357.454	2.131	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1	ZINC000329096807	553879542	/nfs/dbraw/zinc/87/95/42/553879542.db2.gz	YGMFFELFNSQLAM-XGAARHLOSA-N	1	1	351.491	2.042	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@H]2O)C1	ZINC000329094987	553879697	/nfs/dbraw/zinc/87/96/97/553879697.db2.gz	XSQIHNAQZDWIEE-FCGDIQPGSA-N	1	1	367.534	2.130	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1	ZINC000329105570	553881724	/nfs/dbraw/zinc/88/17/24/553881724.db2.gz	ONABRUAHILTYDD-XLMAVXFVSA-N	1	1	353.507	2.289	20	30		FEEDMO
C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000329139270	553887480	/nfs/dbraw/zinc/88/74/80/553887480.db2.gz	FFISCIJTRQLVOH-STQMWFEESA-N	1	1	371.528	2.388	20	30		FEEDMO
C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000329246923	553910072	/nfs/dbraw/zinc/91/00/72/553910072.db2.gz	AXIPEWCOVKQQCX-HIFRSBDPSA-N	1	1	358.490	2.463	20	30		FEEDMO
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C1=CC[N@@H+](C)CC1	ZINC000329258804	553913061	/nfs/dbraw/zinc/91/30/61/553913061.db2.gz	AAGOBBMMHMNLFQ-CYBMUJFWSA-N	1	1	363.483	2.082	20	30		FEEDMO
Cc1nnc2n1C[C@H](CNC([O-])=[NH+][C@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CC2	ZINC000329299800	553920184	/nfs/dbraw/zinc/92/01/84/553920184.db2.gz	MDBHZADOLNOCMG-HYVNUMGLSA-N	1	1	374.533	2.306	20	30		FEEDMO
Cc1nnc2n1C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)CC2	ZINC000329299800	553920187	/nfs/dbraw/zinc/92/01/87/553920187.db2.gz	MDBHZADOLNOCMG-HYVNUMGLSA-N	1	1	374.533	2.306	20	30		FEEDMO
Cc1nnc2n1C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CC2	ZINC000329299800	553920190	/nfs/dbraw/zinc/92/01/90/553920190.db2.gz	MDBHZADOLNOCMG-HYVNUMGLSA-N	1	1	374.533	2.306	20	30		FEEDMO
Cc1nnc2n1C[C@H](C[NH+]=C([O-])N[C@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)CC2	ZINC000329299800	553920193	/nfs/dbraw/zinc/92/01/93/553920193.db2.gz	MDBHZADOLNOCMG-HYVNUMGLSA-N	1	1	374.533	2.306	20	30		FEEDMO
Cc1nnc2n1C[C@H](C[NH+]=C([O-])N[C@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CC2	ZINC000329299800	553920194	/nfs/dbraw/zinc/92/01/94/553920194.db2.gz	MDBHZADOLNOCMG-HYVNUMGLSA-N	1	1	374.533	2.306	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1	ZINC000329300514	553920429	/nfs/dbraw/zinc/92/04/29/553920429.db2.gz	MNFAIGLCCCCWBA-SFHVURJKSA-N	1	1	374.485	2.359	20	30		FEEDMO
C[C@@H]1C[C@@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC(=O)N1	ZINC000329353068	553930866	/nfs/dbraw/zinc/93/08/66/553930866.db2.gz	UUQSHQWTQINEDB-NVXWUHKLSA-N	1	1	372.469	2.042	20	30		FEEDMO
CC[C@@H]1CO[C@@H](C)CN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C	ZINC000329356645	553931699	/nfs/dbraw/zinc/93/16/99/553931699.db2.gz	WHTOIDDKJQLSLT-LISAXSMJSA-N	1	1	363.506	2.216	20	30		FEEDMO
Cc1noc([C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C2CCOCC2)n1	ZINC000329364553	553933177	/nfs/dbraw/zinc/93/31/77/553933177.db2.gz	GAUZRYYBCCTVMQ-JKSUJKDBSA-N	1	1	365.478	2.032	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cn1c2ccccc2nc1C(F)(F)F	ZINC000329380102	553934775	/nfs/dbraw/zinc/93/47/75/553934775.db2.gz	PRUFJYWHGXAUEH-LBPRGKRZSA-N	1	1	369.391	2.257	20	30		FEEDMO
COc1ccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1N1CCCC1=O	ZINC000329489573	553956609	/nfs/dbraw/zinc/95/66/09/553956609.db2.gz	UVXXHQMRHITWRH-HNNXBMFYSA-N	1	1	358.442	2.148	20	30		FEEDMO
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C	ZINC000329531067	553962711	/nfs/dbraw/zinc/96/27/11/553962711.db2.gz	JDGABOIYMBKQNC-WDSOQIARSA-N	1	1	372.513	2.410	20	30		FEEDMO
N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)c(F)c1	ZINC000506850725	561709982	/nfs/dbraw/zinc/70/99/82/561709982.db2.gz	IGXPZKSPTSAECA-MRXNPFEDSA-N	1	1	356.445	2.267	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Cc2c(F)cccc2C#N)C[C@H](C)O1	ZINC000506858378	561710342	/nfs/dbraw/zinc/71/03/42/561710342.db2.gz	BNEITKDCLDKQIE-HLLBOEOZSA-N	1	1	359.445	2.340	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Cc2c(F)cccc2C#N)C[C@H](C)O1	ZINC000506858378	561710344	/nfs/dbraw/zinc/71/03/44/561710344.db2.gz	BNEITKDCLDKQIE-HLLBOEOZSA-N	1	1	359.445	2.340	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C2CCCCC2)C1	ZINC000329614568	553977283	/nfs/dbraw/zinc/97/72/83/553977283.db2.gz	SBNKURQCUZIRGC-QZTJIDSGSA-N	1	1	353.507	2.292	20	30		FEEDMO
O=C(CN1CC[N@H+]2CCCC[C@H]2C1)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000329637505	553980842	/nfs/dbraw/zinc/98/08/42/553980842.db2.gz	AIAWQQZVTMRAIX-AWEZNQCLSA-N	1	1	360.414	2.087	20	30		FEEDMO
Cc1ccnc(N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C#N	ZINC000329657180	553983412	/nfs/dbraw/zinc/98/34/12/553983412.db2.gz	NAKCZYYYJUIVPK-IAGOWNOFSA-N	1	1	358.486	2.356	20	30		FEEDMO
CC(C)CN1CCO[C@H](CNC(=O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)C1	ZINC000329697384	553991266	/nfs/dbraw/zinc/99/12/66/553991266.db2.gz	YHDZVHRAKCTWSL-QZTJIDSGSA-N	1	1	367.534	2.191	20	30		FEEDMO
CC(C)CN1CCO[C@H](CNC(=O)C[N@H+]2CCC3(CCOCC3)[C@H]2C)C1	ZINC000329697384	553991271	/nfs/dbraw/zinc/99/12/71/553991271.db2.gz	YHDZVHRAKCTWSL-QZTJIDSGSA-N	1	1	367.534	2.191	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cc3c(cc2C)OCO3)C[C@H]1[NH+]1CCOCC1	ZINC000329712053	553993447	/nfs/dbraw/zinc/99/34/47/553993447.db2.gz	PLUUNWXMUAZXKF-GOEBONIOSA-N	1	1	361.442	2.312	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C1CCC2(CC1)NC(=O)NC2=O	ZINC000329712147	553993519	/nfs/dbraw/zinc/99/35/19/553993519.db2.gz	PPWANWQDUNSNNG-FVRSWCFKSA-N	1	1	374.445	2.135	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC1CCC2(CC1)NC(=O)NC2=O	ZINC000329712147	553993521	/nfs/dbraw/zinc/99/35/21/553993521.db2.gz	PPWANWQDUNSNNG-FVRSWCFKSA-N	1	1	374.445	2.135	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cc3c(cc2C)OCO3)C[C@@H]1[NH+]1CCOCC1	ZINC000329712055	553993769	/nfs/dbraw/zinc/99/37/69/553993769.db2.gz	PLUUNWXMUAZXKF-ZBFHGGJFSA-N	1	1	361.442	2.312	20	30		FEEDMO
COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)c(OC)c1	ZINC000329751177	553999525	/nfs/dbraw/zinc/99/95/25/553999525.db2.gz	VLUYRHRARKWHBM-GJZGRUSLSA-N	1	1	363.458	2.087	20	30		FEEDMO
COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)c(OC)c1	ZINC000329751177	553999528	/nfs/dbraw/zinc/99/95/28/553999528.db2.gz	VLUYRHRARKWHBM-GJZGRUSLSA-N	1	1	363.458	2.087	20	30		FEEDMO
COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)c(OC)c1	ZINC000329751178	553999587	/nfs/dbraw/zinc/99/95/87/553999587.db2.gz	VLUYRHRARKWHBM-HUUCEWRRSA-N	1	1	363.458	2.087	20	30		FEEDMO
COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)c(OC)c1	ZINC000329751178	553999588	/nfs/dbraw/zinc/99/95/88/553999588.db2.gz	VLUYRHRARKWHBM-HUUCEWRRSA-N	1	1	363.458	2.087	20	30		FEEDMO
C[C@@H]1C[C@H](CCNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CCO1	ZINC000329764942	554001756	/nfs/dbraw/zinc/00/17/56/554001756.db2.gz	WJSMCDRPZWJRMT-KZNAEPCWSA-N	1	1	353.507	2.292	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[N@H+]1C	ZINC000329791929	554006784	/nfs/dbraw/zinc/00/67/84/554006784.db2.gz	FCISGIPURAYZRA-SJORKVTESA-N	1	1	352.523	2.008	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)NCC2(N3CCOCC3)CCCCC2)CC[N@H+]1C	ZINC000329791929	554006786	/nfs/dbraw/zinc/00/67/86/554006786.db2.gz	FCISGIPURAYZRA-SJORKVTESA-N	1	1	352.523	2.008	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)CC[N@H+]1C	ZINC000329792968	554007068	/nfs/dbraw/zinc/00/70/68/554007068.db2.gz	APOZJTQFRFJGIA-GDBMZVCRSA-N	1	1	364.515	2.293	20	30		FEEDMO
C[C@@H]1CCC[N@H+](CCNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1	ZINC000329813260	554010915	/nfs/dbraw/zinc/01/09/15/554010915.db2.gz	NIILBOYFHCBXEQ-MRXNPFEDSA-N	1	1	371.547	2.066	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1	ZINC000329813260	554010917	/nfs/dbraw/zinc/01/09/17/554010917.db2.gz	NIILBOYFHCBXEQ-MRXNPFEDSA-N	1	1	371.547	2.066	20	30		FEEDMO
Cc1ccc(N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc1C#N	ZINC000329877582	554023595	/nfs/dbraw/zinc/02/35/95/554023595.db2.gz	JMMHOBMLXLVZRE-IAGOWNOFSA-N	1	1	358.486	2.356	20	30		FEEDMO
O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@@H]1CCO[C@@]2(CCSC2)C1	ZINC000329897348	554026763	/nfs/dbraw/zinc/02/67/63/554026763.db2.gz	LHDVWUAYTMDBBY-VBQJREDUSA-N	1	1	350.488	2.004	20	30		FEEDMO
O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@@H]1CCOC2(CCSCC2)C1	ZINC000329905844	554029015	/nfs/dbraw/zinc/02/90/15/554029015.db2.gz	RRZSXOJLSIBPAU-LSDHHAIUSA-N	1	1	364.515	2.394	20	30		FEEDMO
[O-]C(NCc1cc(F)cc2c1OCOC2)=[NH+]C[C@H]1CCc2[nH+]ccn2C1	ZINC000329914960	554031282	/nfs/dbraw/zinc/03/12/82/554031282.db2.gz	PIJJUVLSMSVPQZ-GFCCVEGCSA-N	1	1	360.389	2.155	20	30		FEEDMO
C[C@@]1(C(N)=O)CCN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1	ZINC000329938617	554035445	/nfs/dbraw/zinc/03/54/45/554035445.db2.gz	SPTWOANRMIXUMP-QGZVFWFLSA-N	1	1	352.479	2.183	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1	ZINC000329941530	554036288	/nfs/dbraw/zinc/03/62/88/554036288.db2.gz	CFFHCWILWDQMAC-GJYPPUQNSA-N	1	1	353.507	2.291	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1C	ZINC000330008909	554048386	/nfs/dbraw/zinc/04/83/86/554048386.db2.gz	GZCWHMNGDWGNAC-PBHICJAKSA-N	1	1	373.501	2.402	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1C	ZINC000330008912	554048529	/nfs/dbraw/zinc/04/85/29/554048529.db2.gz	GZCWHMNGDWGNAC-YOEHRIQHSA-N	1	1	373.501	2.402	20	30		FEEDMO
Cn1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(-c2ccc(Cl)s2)n1	ZINC000330074444	554060362	/nfs/dbraw/zinc/06/03/62/554060362.db2.gz	FPZRPAQQWDCDFY-LLVKDONJSA-N	1	1	367.906	2.352	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1	ZINC000330088038	554062172	/nfs/dbraw/zinc/06/21/72/554062172.db2.gz	NSGLIBSBHLTFBK-NVXWUHKLSA-N	1	1	374.533	2.437	20	30		FEEDMO
Cn1cc([C@@H]2[C@H](C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC(=O)N2C(C)(C)C)cn1	ZINC000330105513	554064946	/nfs/dbraw/zinc/06/49/46/554064946.db2.gz	JNULCPRMWRRMMV-YXJHDRRASA-N	1	1	373.501	2.301	20	30		FEEDMO
C[C@@H]1N(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOC1(C)C	ZINC000330108704	554066075	/nfs/dbraw/zinc/06/60/75/554066075.db2.gz	NZEHIGFYGHFHAH-INIZCTEOSA-N	1	1	353.507	2.435	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1	ZINC000330115440	554067141	/nfs/dbraw/zinc/06/71/41/554067141.db2.gz	FPRRQKQWTULEGR-BSDSXHPESA-N	1	1	362.518	2.108	20	30		FEEDMO
CO[C@@H]1C[N@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H]1OC	ZINC000330125823	554068803	/nfs/dbraw/zinc/06/88/03/554068803.db2.gz	BTBOWGWEELXXEO-ZDBSZRPRSA-N	1	1	365.474	2.171	20	30		FEEDMO
CO[C@@H]1C[N@@H+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H]1OC	ZINC000330125823	554068806	/nfs/dbraw/zinc/06/88/06/554068806.db2.gz	BTBOWGWEELXXEO-ZDBSZRPRSA-N	1	1	365.474	2.171	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)N[C@H]2CCCc3c[nH]nc32)CC1	ZINC000330156918	554075606	/nfs/dbraw/zinc/07/56/06/554075606.db2.gz	YYUCHGLLKCWLLO-JZXOWHBKSA-N	1	1	374.533	2.192	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1	ZINC000330156918	554075607	/nfs/dbraw/zinc/07/56/07/554075607.db2.gz	YYUCHGLLKCWLLO-JZXOWHBKSA-N	1	1	374.533	2.192	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)CC1	ZINC000330156918	554075609	/nfs/dbraw/zinc/07/56/09/554075609.db2.gz	YYUCHGLLKCWLLO-JZXOWHBKSA-N	1	1	374.533	2.192	20	30		FEEDMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@@H]2CCCCC(F)(F)C2)CC1	ZINC000330163346	554076838	/nfs/dbraw/zinc/07/68/38/554076838.db2.gz	ASXMWEMLWXMENX-OAHLLOKOSA-N	1	1	374.476	2.212	20	30		FEEDMO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cn1	ZINC000330188297	554081167	/nfs/dbraw/zinc/08/11/67/554081167.db2.gz	UKTAALNGVUYDCY-ZDRJDWQYSA-N	1	1	374.489	2.003	20	30		FEEDMO
CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCSCC1	ZINC000330191225	554081640	/nfs/dbraw/zinc/08/16/40/554081640.db2.gz	WWHUCLVSPJQPFD-IJEWVQPXSA-N	1	1	352.504	2.374	20	30		FEEDMO
COC1CCC(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1	ZINC000330206000	554084948	/nfs/dbraw/zinc/08/49/48/554084948.db2.gz	CWLKESFJLNPMOR-KLHKWILBSA-N	1	1	353.507	2.291	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCCC(F)(F)C3)CC2)cn1	ZINC000330223396	554087946	/nfs/dbraw/zinc/08/79/46/554087946.db2.gz	NACNRIYYZVFGIF-HNNXBMFYSA-N	1	1	355.433	2.420	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCC(F)(F)C3)CC2)cn1	ZINC000330223396	554087949	/nfs/dbraw/zinc/08/79/49/554087949.db2.gz	NACNRIYYZVFGIF-HNNXBMFYSA-N	1	1	355.433	2.420	20	30		FEEDMO
CC(C)[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CCO1	ZINC000330228384	554089145	/nfs/dbraw/zinc/08/91/45/554089145.db2.gz	PQBAPOUSGJWXQS-JZXOWHBKSA-N	1	1	353.507	2.289	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCOC2(CCC2)C1	ZINC000330268706	554096458	/nfs/dbraw/zinc/09/64/58/554096458.db2.gz	RIGFQBSONVZAAD-CVEARBPZSA-N	1	1	351.491	2.187	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCOC2(CCOCC2)C1	ZINC000330272320	554097235	/nfs/dbraw/zinc/09/72/35/554097235.db2.gz	XLLWHIFZYMMYMC-GVDBMIGSSA-N	1	1	351.491	2.187	20	30		FEEDMO
C[C@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1cncc(F)c1	ZINC000330319325	554104640	/nfs/dbraw/zinc/10/46/40/554104640.db2.gz	RGCNGEKFMXYRQQ-KBPBESRZSA-N	1	1	350.438	2.381	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCc2c(nnn2-c2ccccc2)C1	ZINC000330345115	554108931	/nfs/dbraw/zinc/10/89/31/554108931.db2.gz	DTDVUHCFLSUOIN-AEFFLSMTSA-N	1	1	366.469	2.166	20	30		FEEDMO
CCCNC(=O)[C@H]1CCCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1	ZINC000330345161	554108974	/nfs/dbraw/zinc/10/89/74/554108974.db2.gz	DVMDKQZQWBVRPW-HNNXBMFYSA-N	1	1	372.473	2.441	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1	ZINC000330413769	554118342	/nfs/dbraw/zinc/11/83/42/554118342.db2.gz	MPAHSQMBIIWDKO-IRXDYDNUSA-N	1	1	370.563	2.442	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)C1	ZINC000330504596	554130541	/nfs/dbraw/zinc/13/05/41/554130541.db2.gz	IABGWGHATKNTAN-INIZCTEOSA-N	1	1	367.515	2.343	20	30		FEEDMO
COC(=O)c1cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc(C)c1C	ZINC000330714421	554162167	/nfs/dbraw/zinc/16/21/67/554162167.db2.gz	XJRFMFSVDPDRFO-KGLIPLIRSA-N	1	1	363.458	2.022	20	30		FEEDMO
CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1	ZINC000331017491	554201218	/nfs/dbraw/zinc/20/12/18/554201218.db2.gz	HSZURUBSPBSZMU-LSDHHAIUSA-N	1	1	362.474	2.276	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCCc1ccccc1F	ZINC000331039292	554205034	/nfs/dbraw/zinc/20/50/34/554205034.db2.gz	BMULHYBNVPPLDG-HNNXBMFYSA-N	1	1	351.466	2.449	20	30		FEEDMO
CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C)CC[N@H+]1C	ZINC000508577606	561766625	/nfs/dbraw/zinc/76/66/25/561766625.db2.gz	PVHBZWHRNZXDMV-QGZVFWFLSA-N	1	1	354.458	2.042	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2F)CC[N@H+]1C[C@H](C)O	ZINC000331192743	554228957	/nfs/dbraw/zinc/22/89/57/554228957.db2.gz	MCBDFSFXBCFDEN-WCQYABFASA-N	1	1	352.410	2.032	20	30		FEEDMO
COC[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc(F)cc1	ZINC000331238482	554234770	/nfs/dbraw/zinc/23/47/70/554234770.db2.gz	VQISBOOKQUPXJH-YOEHRIQHSA-N	1	1	367.465	2.204	20	30		FEEDMO
C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1	ZINC000508859337	561775812	/nfs/dbraw/zinc/77/58/12/561775812.db2.gz	VKAUBAGBUARSQD-INIZCTEOSA-N	1	1	359.861	2.305	20	30		FEEDMO
C=CCn1c(-c2cccc(Cl)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1	ZINC000508859337	561775814	/nfs/dbraw/zinc/77/58/14/561775814.db2.gz	VKAUBAGBUARSQD-INIZCTEOSA-N	1	1	359.861	2.305	20	30		FEEDMO
C=CCn1c(-c2cccc(C)n2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000508918449	561778288	/nfs/dbraw/zinc/77/82/88/561778288.db2.gz	NBWNDSXBVHIZTL-CALCHBBNSA-N	1	1	370.501	2.380	20	30		FEEDMO
C=CCn1c(-c2cccc(C)n2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000508918449	561778289	/nfs/dbraw/zinc/77/82/89/561778289.db2.gz	NBWNDSXBVHIZTL-CALCHBBNSA-N	1	1	370.501	2.380	20	30		FEEDMO
C=CCSCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000509187363	561788900	/nfs/dbraw/zinc/78/89/00/561788900.db2.gz	UUBRRLDMLCXODY-MSOLQXFVSA-N	1	1	363.527	2.088	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1	ZINC000332029128	554366899	/nfs/dbraw/zinc/36/68/99/554366899.db2.gz	HITSRBXPCUKXSN-JKSUJKDBSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC(C)(C#N)CC1	ZINC000332062010	554372258	/nfs/dbraw/zinc/37/22/58/554372258.db2.gz	YHQQQDBNKACRHQ-JKSUJKDBSA-N	1	1	357.454	2.299	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@H](C)[N@H+](C)C[C@H]3C)C2)n1	ZINC000509673216	561810055	/nfs/dbraw/zinc/81/00/55/561810055.db2.gz	YJPSJPKOSZPUIK-JZXOWHBKSA-N	1	1	355.486	2.029	20	30		FEEDMO
COCCN1C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C(C)(C)C#N)CC[C@@H]21	ZINC000332582315	554476614	/nfs/dbraw/zinc/47/66/14/554476614.db2.gz	JLYCOIHRRGIRCT-MSOLQXFVSA-N	1	1	356.470	2.102	20	30		FEEDMO
Cc1cc(S(=O)(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N	ZINC000332638806	554488978	/nfs/dbraw/zinc/48/89/78/554488978.db2.gz	UQZFLWZAARJIDA-IYBDPMFKSA-N	1	1	365.499	2.034	20	30		FEEDMO
Cc1cc(S(=O)(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N	ZINC000332638806	554488979	/nfs/dbraw/zinc/48/89/79/554488979.db2.gz	UQZFLWZAARJIDA-IYBDPMFKSA-N	1	1	365.499	2.034	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)[nH]1	ZINC000610561742	554529314	/nfs/dbraw/zinc/52/93/14/554529314.db2.gz	CFVRXPXFDFYJOH-UHFFFAOYSA-N	1	1	352.442	2.420	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)[nH]1	ZINC000610561742	554529315	/nfs/dbraw/zinc/52/93/15/554529315.db2.gz	CFVRXPXFDFYJOH-UHFFFAOYSA-N	1	1	352.442	2.420	20	30		FEEDMO
C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000333421360	554611755	/nfs/dbraw/zinc/61/17/55/554611755.db2.gz	LYAKNZRNNYZSCW-CXAGYDPISA-N	1	1	351.447	2.086	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000333421360	554611756	/nfs/dbraw/zinc/61/17/56/554611756.db2.gz	LYAKNZRNNYZSCW-CXAGYDPISA-N	1	1	351.447	2.086	20	30		FEEDMO
Cc1c(C#N)c(N2CCC(c3nnc4n3CC[NH2+]C4)CC2)nc2ccccc12	ZINC000333521144	554620789	/nfs/dbraw/zinc/62/07/89/554620789.db2.gz	KRZGNYPCOULBEU-UHFFFAOYSA-N	1	1	373.464	2.494	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)C1=O	ZINC000334040735	554671816	/nfs/dbraw/zinc/67/18/16/554671816.db2.gz	OILRUMOQVOIAHP-CVEARBPZSA-N	1	1	372.494	2.202	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@@H](N3CCCC3=O)CC2)C1=O	ZINC000334040735	554671817	/nfs/dbraw/zinc/67/18/17/554671817.db2.gz	OILRUMOQVOIAHP-CVEARBPZSA-N	1	1	372.494	2.202	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000348626839	554692479	/nfs/dbraw/zinc/69/24/79/554692479.db2.gz	SWPDYTYHOFOLFE-SZMVWBNQSA-N	1	1	357.454	2.020	20	30		FEEDMO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2c[nH]nc21	ZINC000362407490	554970440	/nfs/dbraw/zinc/97/04/40/554970440.db2.gz	JIJDSYZUAYHMNJ-SFHVURJKSA-N	1	1	351.454	2.292	20	30		FEEDMO
N#Cc1ccccc1N1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1	ZINC000363187259	555048755	/nfs/dbraw/zinc/04/87/55/555048755.db2.gz	JKYRNLGCDCGTKM-QYZOEREBSA-N	1	1	367.497	2.453	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ncccc2C)C1	ZINC000363298086	555073214	/nfs/dbraw/zinc/07/32/14/555073214.db2.gz	ANPLQXFRAPDRFZ-KRWDZBQOSA-N	1	1	358.486	2.465	20	30		FEEDMO
Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000363299424	555073609	/nfs/dbraw/zinc/07/36/09/555073609.db2.gz	PQADPEIGSZAJPM-OXJNMPFZSA-N	1	1	371.485	2.095	20	30		FEEDMO
Cc1cccnc1NC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000363299424	555073611	/nfs/dbraw/zinc/07/36/11/555073611.db2.gz	PQADPEIGSZAJPM-OXJNMPFZSA-N	1	1	371.485	2.095	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@@H](C)c2nc(-c3cccc(F)c3)no2)CC1	ZINC000363710908	555169066	/nfs/dbraw/zinc/16/90/66/555169066.db2.gz	GHXAKEBUPFLSOS-ZDUSSCGKSA-N	1	1	356.401	2.398	20	30		FEEDMO
CC[C@@H]1CN(C(=O)c2cccc(SCC#N)c2)C[C@H]1[NH+]1CCOCC1	ZINC000364184707	555265574	/nfs/dbraw/zinc/26/55/74/555265574.db2.gz	TWUCJSBTZNRCPQ-CRAIPNDOSA-N	1	1	359.495	2.485	20	30		FEEDMO
C=CCN(C(=O)N[C@H](C)C[S@@](C)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364277634	555283099	/nfs/dbraw/zinc/28/30/99/555283099.db2.gz	CZKCPUWLPNIJAC-BXZDMCNWSA-N	1	1	363.527	2.226	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](n2cnc3ccccc32)C1	ZINC000364516170	555327831	/nfs/dbraw/zinc/32/78/31/555327831.db2.gz	ACVVTDDCOMSQBO-KRWDZBQOSA-N	1	1	364.453	2.329	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC([C@@H]4CCCOC4)CC3)C2=O)cc1	ZINC000364710925	555381682	/nfs/dbraw/zinc/38/16/82/555381682.db2.gz	OTIPIMMUNNSTJA-IEBWSBKVSA-N	1	1	367.449	2.329	20	30		FEEDMO
CN(C(=O)C[N@@H+](C)C1CCN(c2cnccn2)CC1)C1(C#N)CCCCC1	ZINC000364824680	555408495	/nfs/dbraw/zinc/40/84/95/555408495.db2.gz	UPPLHVOJYKKXOC-UHFFFAOYSA-N	1	1	370.501	2.062	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)c1	ZINC000364863604	555418357	/nfs/dbraw/zinc/41/83/57/555418357.db2.gz	SWGIANPQNPLPGD-JOCHJYFZSA-N	1	1	363.461	2.244	20	30		FEEDMO
C=CCN(C(=O)NOC[C@@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364959635	555450830	/nfs/dbraw/zinc/45/08/30/555450830.db2.gz	XREUEVCQEGQKBZ-MOPGFXCFSA-N	1	1	359.470	2.427	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1	ZINC000365180741	555503396	/nfs/dbraw/zinc/50/33/96/555503396.db2.gz	ULKAQPXVURAYLN-LUQKVYGDSA-N	1	1	364.449	2.228	20	30		FEEDMO
CCOC(=O)C1CCC(O)(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1	ZINC000365246658	555522081	/nfs/dbraw/zinc/52/20/81/555522081.db2.gz	OOZRDMZBUGVWSF-BIXGBWIQSA-N	1	1	372.465	2.416	20	30		FEEDMO
CCOC(=O)C1CCC(O)(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1	ZINC000365246658	555522083	/nfs/dbraw/zinc/52/20/83/555522083.db2.gz	OOZRDMZBUGVWSF-BIXGBWIQSA-N	1	1	372.465	2.416	20	30		FEEDMO
Cn1cc(C[N@@H+](C)[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)cc1C#N	ZINC000365256329	555524330	/nfs/dbraw/zinc/52/43/30/555524330.db2.gz	MLWVLHRUNASRFG-MRXNPFEDSA-N	1	1	354.458	2.254	20	30		FEEDMO
CC(C)n1nc2c(cc1=O)C[N@H+](CCC(=O)Nc1sccc1C#N)CC2	ZINC000365395860	555563924	/nfs/dbraw/zinc/56/39/24/555563924.db2.gz	VSJFJQGVWLEUBL-UHFFFAOYSA-N	1	1	371.466	2.144	20	30		FEEDMO
CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000513176524	561928046	/nfs/dbraw/zinc/92/80/46/561928046.db2.gz	ATJHXNMXQPHERY-MRXNPFEDSA-N	1	1	353.426	2.489	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)cn3C)[C@H](C)C2)s1	ZINC000365921337	555701955	/nfs/dbraw/zinc/70/19/55/555701955.db2.gz	POWFWMVLVQQJDL-MLGOLLRUSA-N	1	1	357.483	2.302	20	30		FEEDMO
C[NH+]1CCC(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CC1	ZINC000365986197	555717875	/nfs/dbraw/zinc/71/78/75/555717875.db2.gz	PRIYERTZEKJSMT-UHFFFAOYSA-N	1	1	354.498	2.393	20	30		FEEDMO
CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000366250417	555792860	/nfs/dbraw/zinc/79/28/60/555792860.db2.gz	ZEPQUWLGDTVTDW-MOPGFXCFSA-N	1	1	356.470	2.343	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1CC[N@H+](CC)C2	ZINC000367194498	556003396	/nfs/dbraw/zinc/00/33/96/556003396.db2.gz	JRMRKUQQPUDVPQ-HNAYVOBHSA-N	1	1	371.481	2.101	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1	ZINC000367348408	556024196	/nfs/dbraw/zinc/02/41/96/556024196.db2.gz	OEUZDUVROYNCED-LJQANCHMSA-N	1	1	364.493	2.476	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1	ZINC000367348408	556024200	/nfs/dbraw/zinc/02/42/00/556024200.db2.gz	OEUZDUVROYNCED-LJQANCHMSA-N	1	1	364.493	2.476	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)[C@@]1(C#N)CCc2ccccc2C1)N1CC[NH+](C)CC1	ZINC000367571756	556086460	/nfs/dbraw/zinc/08/64/60/556086460.db2.gz	XYNIJQDKMXAPOL-IRLDBZIGSA-N	1	1	368.525	2.073	20	30		FEEDMO
COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCOCC(F)(F)C(F)F)C1	ZINC000367583368	556089353	/nfs/dbraw/zinc/08/93/53/556089353.db2.gz	COXYFGIHVKTYBK-SNVBAGLBSA-N	1	1	355.250	2.331	20	30		FEEDMO
COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCOCC(F)(F)C(F)F)C1	ZINC000367583368	556089357	/nfs/dbraw/zinc/08/93/57/556089357.db2.gz	COXYFGIHVKTYBK-SNVBAGLBSA-N	1	1	355.250	2.331	20	30		FEEDMO
CC(C)(C#N)CCS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1	ZINC000367689068	556115385	/nfs/dbraw/zinc/11/53/85/556115385.db2.gz	QZNTVUMUHFEUFC-HDICACEKSA-N	1	1	361.511	2.320	20	30		FEEDMO
COc1cc(OC)c2ncc(C#N)c(N3CCC[N@H+]([C@H](C)CO)CC3)c2c1	ZINC000367825841	556148526	/nfs/dbraw/zinc/14/85/26/556148526.db2.gz	LOBTUAKYGNUZHO-CQSZACIVSA-N	1	1	370.453	2.017	20	30		FEEDMO
Cc1cccc(OC2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)n1	ZINC000367831592	556149799	/nfs/dbraw/zinc/14/97/99/556149799.db2.gz	MCRZXXLHOCOZTH-UHFFFAOYSA-N	1	1	364.449	2.421	20	30		FEEDMO
C=CCN(C(=O)C[C@@H]1CCCC(=O)N1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000367953954	556181423	/nfs/dbraw/zinc/18/14/23/556181423.db2.gz	YFNBQTCYQSPMFB-RBUKOAKNSA-N	1	1	355.482	2.334	20	30		FEEDMO
C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000515184647	561999599	/nfs/dbraw/zinc/99/95/99/561999599.db2.gz	ANCBVOIEPILKJI-FZCLSBEQSA-N	1	1	356.470	2.490	20	30		FEEDMO
C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000515184647	561999600	/nfs/dbraw/zinc/99/96/00/561999600.db2.gz	ANCBVOIEPILKJI-FZCLSBEQSA-N	1	1	356.470	2.490	20	30		FEEDMO
Cc1oc(NC(=O)CN[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)c(C#N)c1C	ZINC000368418866	556303664	/nfs/dbraw/zinc/30/36/64/556303664.db2.gz	YZEQOJNHAWPSOL-MZMPZRCHSA-N	1	1	374.485	2.186	20	30		FEEDMO
N#Cc1ccc(S(N)(=O)=O)cc1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000368550297	556342535	/nfs/dbraw/zinc/34/25/35/556342535.db2.gz	GXNQXOUADGKQQU-MRXNPFEDSA-N	1	1	370.478	2.140	20	30		FEEDMO
C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1	ZINC000368573023	556349848	/nfs/dbraw/zinc/34/98/48/556349848.db2.gz	QCEFJUFVWHBRFF-ROUUACIJSA-N	1	1	366.396	2.197	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1	ZINC000368573023	556349850	/nfs/dbraw/zinc/34/98/50/556349850.db2.gz	QCEFJUFVWHBRFF-ROUUACIJSA-N	1	1	366.396	2.197	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1	ZINC000368611047	556361581	/nfs/dbraw/zinc/36/15/81/556361581.db2.gz	FGEBFKVTLGPJHJ-GOSISDBHSA-N	1	1	355.463	2.292	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1	ZINC000368611047	556361582	/nfs/dbraw/zinc/36/15/82/556361582.db2.gz	FGEBFKVTLGPJHJ-GOSISDBHSA-N	1	1	355.463	2.292	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1	ZINC000515607999	562016745	/nfs/dbraw/zinc/01/67/45/562016745.db2.gz	SLMHBGWVUKNYPR-GDAAHCPNSA-N	1	1	356.470	2.003	20	30		FEEDMO
C[C@H](CO)[N@H+]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1	ZINC000368972702	556464039	/nfs/dbraw/zinc/46/40/39/556464039.db2.gz	GHHVKVVSBOKYOB-QGZVFWFLSA-N	1	1	368.481	2.126	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1	ZINC000368976508	556465551	/nfs/dbraw/zinc/46/55/51/556465551.db2.gz	WVMFRFIHZWIKOS-RNIPGJKVSA-N	1	1	368.481	2.216	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1	ZINC000368976508	556465552	/nfs/dbraw/zinc/46/55/52/556465552.db2.gz	WVMFRFIHZWIKOS-RNIPGJKVSA-N	1	1	368.481	2.216	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1	ZINC000369015887	556477361	/nfs/dbraw/zinc/47/73/61/556477361.db2.gz	HEHGVCGVLCXJAS-HNNXBMFYSA-N	1	1	371.397	2.387	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCCN(c2ccc(C#N)cc2)CC1)[N@@H+](C)C1CC1	ZINC000369049984	556489447	/nfs/dbraw/zinc/48/94/47/556489447.db2.gz	AUTNZXFTLXUMRP-INIZCTEOSA-N	1	1	355.486	2.263	20	30		FEEDMO
CCCN1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)CC1	ZINC000369152831	556518186	/nfs/dbraw/zinc/51/81/86/556518186.db2.gz	ASNHDKRMDACXGP-UHFFFAOYSA-N	1	1	357.458	2.463	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1	ZINC000532378846	562475828	/nfs/dbraw/zinc/47/58/28/562475828.db2.gz	GZMDFXCSXZAAJT-DNVCBOLYSA-N	1	1	351.491	2.485	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1	ZINC000532378846	562475829	/nfs/dbraw/zinc/47/58/29/562475829.db2.gz	GZMDFXCSXZAAJT-DNVCBOLYSA-N	1	1	351.491	2.485	20	30		FEEDMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000370000060	556753444	/nfs/dbraw/zinc/75/34/44/556753444.db2.gz	SQKSHHPZVCPKDC-HNNXBMFYSA-N	1	1	370.432	2.689	20	30		FEEDMO
CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@@H]3C2)no1	ZINC000370413646	556865976	/nfs/dbraw/zinc/86/59/76/556865976.db2.gz	GZMALAOQDDBENC-IYBDPMFKSA-N	1	1	355.417	2.207	20	30		FEEDMO
CCc1nc(CN2C[C@@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@@H]3C2)no1	ZINC000370413646	556865981	/nfs/dbraw/zinc/86/59/81/556865981.db2.gz	GZMALAOQDDBENC-IYBDPMFKSA-N	1	1	355.417	2.207	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1	ZINC000370416764	556866209	/nfs/dbraw/zinc/86/62/09/556866209.db2.gz	ZPISNLSPZQYVQO-OAHLLOKOSA-N	1	1	360.458	2.288	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000370550342	556906437	/nfs/dbraw/zinc/90/64/37/556906437.db2.gz	VLCOOAVRCBURSK-SNRMKQJTSA-N	1	1	357.454	2.085	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000371259022	557123069	/nfs/dbraw/zinc/12/30/69/557123069.db2.gz	FGZZZMBAIADVAZ-IBGZPJMESA-N	1	1	372.513	2.046	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000371259022	557123073	/nfs/dbraw/zinc/12/30/73/557123073.db2.gz	FGZZZMBAIADVAZ-IBGZPJMESA-N	1	1	372.513	2.046	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000371345848	557154589	/nfs/dbraw/zinc/15/45/89/557154589.db2.gz	YDYXRPUMDDPJOX-UHFFFAOYSA-N	1	1	356.470	2.325	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000517528782	562091730	/nfs/dbraw/zinc/09/17/30/562091730.db2.gz	HMACXJVGAUJRMT-INIZCTEOSA-N	1	1	354.458	2.224	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000517528782	562091731	/nfs/dbraw/zinc/09/17/31/562091731.db2.gz	HMACXJVGAUJRMT-INIZCTEOSA-N	1	1	354.458	2.224	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@@H]21	ZINC000371505384	557203206	/nfs/dbraw/zinc/20/32/06/557203206.db2.gz	IXDNJDMMVNYEGN-JSGCOSHPSA-N	1	1	373.400	2.292	20	30		FEEDMO
COc1ccccc1N1CC[C@@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000372197989	557407027	/nfs/dbraw/zinc/40/70/27/557407027.db2.gz	VDNOMRQOTASHJW-IIBYNOLFSA-N	1	1	370.497	2.404	20	30		FEEDMO
COc1ccccc1N1CC[C@@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000372197989	557407029	/nfs/dbraw/zinc/40/70/29/557407029.db2.gz	VDNOMRQOTASHJW-IIBYNOLFSA-N	1	1	370.497	2.404	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2)C[C@]12C(=O)Nc1ccccc12	ZINC000372229636	557416237	/nfs/dbraw/zinc/41/62/37/557416237.db2.gz	XRSDOJDQDLGBNW-VFNWGFHPSA-N	1	1	360.417	2.361	20	30		FEEDMO
N#C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2)C[C@]12C(=O)Nc1ccccc12	ZINC000372229636	557416240	/nfs/dbraw/zinc/41/62/40/557416240.db2.gz	XRSDOJDQDLGBNW-VFNWGFHPSA-N	1	1	360.417	2.361	20	30		FEEDMO
CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000372288413	557430931	/nfs/dbraw/zinc/43/09/31/557430931.db2.gz	KOFLMCBWDDVGHZ-CVEARBPZSA-N	1	1	370.409	2.151	20	30		FEEDMO
CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000372288413	557430932	/nfs/dbraw/zinc/43/09/32/557430932.db2.gz	KOFLMCBWDDVGHZ-CVEARBPZSA-N	1	1	370.409	2.151	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CCN(c2cc(C)nc(C)n2)CC1	ZINC000372715900	557545094	/nfs/dbraw/zinc/54/50/94/557545094.db2.gz	KTXIUJCSJVKQQY-HNNXBMFYSA-N	1	1	372.517	2.002	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@](O)(C2CC2)C1	ZINC000373240173	557656475	/nfs/dbraw/zinc/65/64/75/557656475.db2.gz	CDTOSONFVBHYDP-QRWLVFNGSA-N	1	1	357.454	2.177	20	30		FEEDMO
CCCNC(=O)CN(C)C(=O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C	ZINC000520173863	562149885	/nfs/dbraw/zinc/14/98/85/562149885.db2.gz	FKHMASVAJCBQKE-UHFFFAOYSA-N	1	1	358.486	2.001	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2noc(C(F)F)n2)CC1	ZINC000373360409	557678993	/nfs/dbraw/zinc/67/89/93/557678993.db2.gz	RDTURSPMEMMEPW-LLVKDONJSA-N	1	1	355.389	2.195	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000373450652	557695996	/nfs/dbraw/zinc/69/59/96/557695996.db2.gz	ACVOZKYXGSKACK-INIZCTEOSA-N	1	1	373.505	2.151	20	30		FEEDMO
C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)C1=CC[N@@H+](C)CC1	ZINC000374417213	557881335	/nfs/dbraw/zinc/88/13/35/557881335.db2.gz	UNAXKILHEVCUPA-INIZCTEOSA-N	1	1	353.470	2.299	20	30		FEEDMO
Cc1nc(CO[C@@H]2CC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)cs1	ZINC000374859114	557942350	/nfs/dbraw/zinc/94/23/50/557942350.db2.gz	DQVIDXQKMXVJHX-GOSISDBHSA-N	1	1	370.478	2.231	20	30		FEEDMO
Cc1nc(CO[C@@H]2CC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)cs1	ZINC000374859114	557942352	/nfs/dbraw/zinc/94/23/52/557942352.db2.gz	DQVIDXQKMXVJHX-GOSISDBHSA-N	1	1	370.478	2.231	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)c(OC)c1	ZINC000375028309	557966636	/nfs/dbraw/zinc/96/66/36/557966636.db2.gz	CFOVCQMEYJXRGQ-OTWHNJEPSA-N	1	1	360.498	2.189	20	30		FEEDMO
COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)nn1	ZINC000375203126	557991597	/nfs/dbraw/zinc/99/15/97/557991597.db2.gz	UBQXRRIOZKQPCS-MRXNPFEDSA-N	1	1	369.425	2.194	20	30		FEEDMO
CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)C1	ZINC000375234121	557996245	/nfs/dbraw/zinc/99/62/45/557996245.db2.gz	OPDQUJHVLZFJKZ-LSDHHAIUSA-N	1	1	366.259	2.239	20	30		FEEDMO
CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)C1	ZINC000375234121	557996246	/nfs/dbraw/zinc/99/62/46/557996246.db2.gz	OPDQUJHVLZFJKZ-LSDHHAIUSA-N	1	1	366.259	2.239	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000375356794	558014780	/nfs/dbraw/zinc/01/47/80/558014780.db2.gz	OWTVLTZSMYYQQR-HXUWFJFHSA-N	1	1	351.535	2.232	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)C1=O	ZINC000375605875	558056031	/nfs/dbraw/zinc/05/60/31/558056031.db2.gz	FVWWXOZXZNEYPZ-IRXDYDNUSA-N	1	1	351.454	2.438	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccnc(COC)n2)C1	ZINC000375759865	558078480	/nfs/dbraw/zinc/07/84/80/558078480.db2.gz	PKNMZIKBYZEHLT-IAGOWNOFSA-N	1	1	358.486	2.392	20	30		FEEDMO
COC(=O)[C@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1cccc(C#N)c1	ZINC000376691141	558209328	/nfs/dbraw/zinc/20/93/28/558209328.db2.gz	RNZJHLCJVNYGGU-ZCNNSNEGSA-N	1	1	364.449	2.450	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)cc1	ZINC000377226379	558293528	/nfs/dbraw/zinc/29/35/28/558293528.db2.gz	VYSLHEQDENWSIH-OALUTQOASA-N	1	1	373.497	2.382	20	30		FEEDMO
C=CCN(C(=O)c1ccn(C)c(=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000377571706	558368426	/nfs/dbraw/zinc/36/84/26/558368426.db2.gz	DOMDFIIOAQYIID-IBGZPJMESA-N	1	1	351.450	2.288	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)CC1	ZINC000377819794	558426499	/nfs/dbraw/zinc/42/64/99/558426499.db2.gz	ZLODWUBNBHMARW-PWRODBHTSA-N	1	1	351.494	2.093	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)CC1	ZINC000377819794	558426501	/nfs/dbraw/zinc/42/65/01/558426501.db2.gz	ZLODWUBNBHMARW-PWRODBHTSA-N	1	1	351.494	2.093	20	30		FEEDMO
CC(C)(C#N)CCS(=O)(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000377835122	558431383	/nfs/dbraw/zinc/43/13/83/558431383.db2.gz	RAWLQSMHVRSSIZ-GOSISDBHSA-N	1	1	363.527	2.410	20	30		FEEDMO
Cn1cc(Cl)cc1C(=O)N1CCC[N@@H+](CCCSCC#N)CC1	ZINC000377908499	558445781	/nfs/dbraw/zinc/44/57/81/558445781.db2.gz	UYAPAZHFDYVMIJ-UHFFFAOYSA-N	1	1	354.907	2.473	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@]2(C#N)CCc3ccccc3C2)CC1	ZINC000378463438	558562873	/nfs/dbraw/zinc/56/28/73/558562873.db2.gz	QLTOTZZCIKUZED-XMSQKQJNSA-N	1	1	368.525	2.075	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@](O)(c4ccc(F)cc4)C3)C2=O)cc1	ZINC000378514609	558573118	/nfs/dbraw/zinc/57/31/18/558573118.db2.gz	FZVSPBCWDQCMEP-FPOVZHCZSA-N	1	1	365.408	2.396	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@](O)(c4ccc(F)cc4)C3)C2=O)cc1	ZINC000378514609	558573119	/nfs/dbraw/zinc/57/31/19/558573119.db2.gz	FZVSPBCWDQCMEP-FPOVZHCZSA-N	1	1	365.408	2.396	20	30		FEEDMO
C[NH+]1CCN(C(=O)C2CCN(c3cc(C#N)c4ccccc4n3)CC2)CC1	ZINC000408194620	558655451	/nfs/dbraw/zinc/65/54/51/558655451.db2.gz	YTSBGLSWHLHACD-UHFFFAOYSA-N	1	1	363.465	2.097	20	30		FEEDMO
C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)n1cnc(C#N)n1	ZINC000409461924	558694700	/nfs/dbraw/zinc/69/47/00/558694700.db2.gz	AYDBPKVIEWNZEU-JKSUJKDBSA-N	1	1	366.469	2.402	20	30		FEEDMO
CC[N@@H+](CCC1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1)CC1CC1	ZINC000409482855	558696031	/nfs/dbraw/zinc/69/60/31/558696031.db2.gz	HBVRLLFKJFAXHQ-MRXNPFEDSA-N	1	1	370.563	2.157	20	30		FEEDMO
CCc1ccc([C@H](CNS(=O)(=O)N(CC)C[C@@H](C)C#N)[NH+](C)C)cc1	ZINC000409551337	558702639	/nfs/dbraw/zinc/70/26/39/558702639.db2.gz	IIQQZBZWYIJBHM-YJBOKZPZSA-N	1	1	366.531	2.168	20	30		FEEDMO
C=CCNC(=O)NC(=O)CN(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000524599481	562230909	/nfs/dbraw/zinc/23/09/09/562230909.db2.gz	KJJPNUWDVYHCGE-FUHWJXTLSA-N	1	1	358.486	2.156	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)c1	ZINC000409825529	558721350	/nfs/dbraw/zinc/72/13/50/558721350.db2.gz	XUWKBGJBMWFNAI-UHFFFAOYSA-N	1	1	372.432	2.410	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)CC(=O)Nc1nnc(-c2sccc2C)o1	ZINC000411642316	558934800	/nfs/dbraw/zinc/93/48/00/558934800.db2.gz	MTOYJRJMHWYGKE-UHFFFAOYSA-N	1	1	363.487	2.485	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)Cc1nc(N)nc(Nc2ccc(C)cc2)n1	ZINC000411646925	558935338	/nfs/dbraw/zinc/93/53/38/558935338.db2.gz	WVEFVUJWGUXSIH-UHFFFAOYSA-N	1	1	355.490	2.446	20	30		FEEDMO
COC(=O)[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+](C)C1	ZINC000411911054	558986390	/nfs/dbraw/zinc/98/63/90/558986390.db2.gz	SULROPUFBOFEBM-OAHLLOKOSA-N	1	1	354.372	2.094	20	30		FEEDMO
CCCNC(=O)C[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C#N)CC1	ZINC000413106617	559078473	/nfs/dbraw/zinc/07/84/73/559078473.db2.gz	YVMIGRLWWKXTJD-UHFFFAOYSA-N	1	1	359.430	2.177	20	30		FEEDMO
C=CCC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1)c1ccccc1	ZINC000413402922	559105376	/nfs/dbraw/zinc/10/53/76/559105376.db2.gz	NXSRQVHZHAZVPQ-MSOLQXFVSA-N	1	1	359.470	2.440	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)N(C)CCC[NH+]1CCN(C)CC1	ZINC000413825457	559133085	/nfs/dbraw/zinc/13/30/85/559133085.db2.gz	GGEKKUPIQSGQLU-HXUWFJFHSA-N	1	1	358.530	2.453	20	30		FEEDMO
COCC(COC)[NH+]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000414476187	559167554	/nfs/dbraw/zinc/16/75/54/559167554.db2.gz	XEERGPKPMZJKCQ-UHFFFAOYSA-N	1	1	371.403	2.356	20	30		FEEDMO
CC(C)(C)c1csc(NC(=O)C(=O)N2CC[NH2+]C[C@](C)(F)C2)c1C#N	ZINC000415794897	559271858	/nfs/dbraw/zinc/27/18/58/559271858.db2.gz	XVOSKXOXJMFPFW-KRWDZBQOSA-N	1	1	366.462	2.016	20	30		FEEDMO
COc1ccccc1[C@@H](CNS(=O)(=O)[C@@H](C)C#N)[NH+]1CCCCC1	ZINC000416368445	559307889	/nfs/dbraw/zinc/30/78/89/559307889.db2.gz	HMCDGLMDYLPIKP-GOEBONIOSA-N	1	1	351.472	2.054	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)cc1	ZINC000418408337	559400552	/nfs/dbraw/zinc/40/05/52/559400552.db2.gz	GIWPLWQTGKRPNX-VQTJNVASSA-N	1	1	369.513	2.293	20	30		FEEDMO
CCCC[C@@H](C[NH3+])NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000418445066	559401924	/nfs/dbraw/zinc/40/19/24/559401924.db2.gz	MWUOAATXCMAISY-IBGZPJMESA-N	1	1	357.502	2.293	20	30		FEEDMO
C[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000420943023	559513287	/nfs/dbraw/zinc/51/32/87/559513287.db2.gz	PKMHLGJVAWUPJP-ZBFHGGJFSA-N	1	1	368.399	2.123	20	30		FEEDMO
C[N@@H+](CCCC(C)(C)C#N)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000420969842	559515595	/nfs/dbraw/zinc/51/55/95/559515595.db2.gz	CWRJLYMJWOOYBJ-UHFFFAOYSA-N	1	1	368.459	2.135	20	30		FEEDMO
CC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000420988400	559517708	/nfs/dbraw/zinc/51/77/08/559517708.db2.gz	QLBNCHRSXCMZPM-CYBMUJFWSA-N	1	1	360.483	2.038	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)NC[C@H]2CC[N@@H+](CC)C2)c(C#N)cn1CC	ZINC000421162925	559527984	/nfs/dbraw/zinc/52/79/84/559527984.db2.gz	GZYDGFPYNKBWAU-CYBMUJFWSA-N	1	1	361.446	2.020	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)NCC[N@@H+]2CC=C(C)CC2)c(C#N)cn1CC	ZINC000421174565	559528925	/nfs/dbraw/zinc/52/89/25/559528925.db2.gz	NWTBKHAIBPEZAU-UHFFFAOYSA-N	1	1	373.457	2.330	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000421303392	559537469	/nfs/dbraw/zinc/53/74/69/559537469.db2.gz	SAMOJOSPRDDSML-CQSZACIVSA-N	1	1	360.483	2.183	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NCCCn1cc[nH+]c1C	ZINC000421503996	559543835	/nfs/dbraw/zinc/54/38/35/559543835.db2.gz	GTNRWDNPHKHNLF-GOSISDBHSA-N	1	1	354.454	2.001	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1	ZINC000422307700	559577433	/nfs/dbraw/zinc/57/74/33/559577433.db2.gz	OMHFXMXLRJNVJM-FUHWJXTLSA-N	1	1	370.497	2.212	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1	ZINC000422540330	559593817	/nfs/dbraw/zinc/59/38/17/559593817.db2.gz	JYXDMEGAGDFGRJ-MOPGFXCFSA-N	1	1	357.498	2.231	20	30		FEEDMO
COC(=O)c1cnc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)s1	ZINC000424736078	559675106	/nfs/dbraw/zinc/67/51/06/559675106.db2.gz	WFGGRJNVMJQMAG-LLVKDONJSA-N	1	1	358.423	2.481	20	30		FEEDMO
C=CCCn1cc(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000424778345	559676318	/nfs/dbraw/zinc/67/63/18/559676318.db2.gz	DYRGJXBUKUPLHY-FUHWJXTLSA-N	1	1	353.470	2.495	20	30		FEEDMO
Cc1cc(N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C#N)cn1	ZINC000425244913	559693013	/nfs/dbraw/zinc/69/30/13/559693013.db2.gz	IBHFYCDIBGWKSN-CALCHBBNSA-N	1	1	358.486	2.356	20	30		FEEDMO
Cc1cc(N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C#N)cn1	ZINC000425244913	559693014	/nfs/dbraw/zinc/69/30/14/559693014.db2.gz	IBHFYCDIBGWKSN-CALCHBBNSA-N	1	1	358.486	2.356	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[C@H](C#N)C3)cc2)CC1	ZINC000425421845	559701338	/nfs/dbraw/zinc/70/13/38/559701338.db2.gz	MMAUBCRUHFXNKM-VQTJNVASSA-N	1	1	369.513	2.316	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nn1	ZINC000425470003	559703928	/nfs/dbraw/zinc/70/39/28/559703928.db2.gz	FGMUZBQUSDKQHH-WMZOPIPTSA-N	1	1	368.485	2.316	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O	ZINC000425544527	559708948	/nfs/dbraw/zinc/70/89/48/559708948.db2.gz	POTRQFXOAIQQGS-MRXNPFEDSA-N	1	1	371.481	2.418	20	30		FEEDMO
COC(=O)[C@]1(c2ccccc2)CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000428803046	559783703	/nfs/dbraw/zinc/78/37/03/559783703.db2.gz	IFPHOSQVGNLLHL-ZLGUVYLKSA-N	1	1	371.481	2.246	20	30		FEEDMO
Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000428820335	559784076	/nfs/dbraw/zinc/78/40/76/559784076.db2.gz	URXXKYNKTXUFKY-APWZRJJASA-N	1	1	364.449	2.420	20	30		FEEDMO
Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000428820335	559784077	/nfs/dbraw/zinc/78/40/77/559784077.db2.gz	URXXKYNKTXUFKY-APWZRJJASA-N	1	1	364.449	2.420	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCCNC(=O)C2CCC2)c(C#N)c1C	ZINC000429538840	559800822	/nfs/dbraw/zinc/80/08/22/559800822.db2.gz	ITEFXWRVSSLEEG-ZDUSSCGKSA-N	1	1	360.458	2.333	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)C2CCC2)c(C#N)c1C	ZINC000429538840	559800823	/nfs/dbraw/zinc/80/08/23/559800823.db2.gz	ITEFXWRVSSLEEG-ZDUSSCGKSA-N	1	1	360.458	2.333	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)[C@@H]1CCN(c2sccc2C(=O)OC)C1=O	ZINC000429727599	559804674	/nfs/dbraw/zinc/80/46/74/559804674.db2.gz	VNBCEKPTADDYJV-OAHLLOKOSA-N	1	1	365.499	2.080	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc(C#N)cc(N(C)C)c2)C[C@@H](C)O1	ZINC000432047854	559851061	/nfs/dbraw/zinc/85/10/61/559851061.db2.gz	IXKKILOXPFPBED-HUUCEWRRSA-N	1	1	358.486	2.242	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCN(C(=O)CN(C)CC(C)(C)C#N)CC2)cc1	ZINC000433294384	559876183	/nfs/dbraw/zinc/87/61/83/559876183.db2.gz	LOKFJMYMFZTRGE-UHFFFAOYSA-N	1	1	372.513	2.211	20	30		FEEDMO
N#CCCn1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c(-c2ccncc2)n1	ZINC000433335265	559877301	/nfs/dbraw/zinc/87/73/01/559877301.db2.gz	KYUCSOVTQMUOBQ-MRXNPFEDSA-N	1	1	350.470	2.433	20	30		FEEDMO
N#CCCn1cc(CNC[C@H]2CC[N@H+](C3CC3)C2)c(-c2ccncc2)n1	ZINC000433335265	559877302	/nfs/dbraw/zinc/87/73/02/559877302.db2.gz	KYUCSOVTQMUOBQ-MRXNPFEDSA-N	1	1	350.470	2.433	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C	ZINC000437735054	559968743	/nfs/dbraw/zinc/96/87/43/559968743.db2.gz	JGHIODUNYDBQSP-MANSERQUSA-N	1	1	367.534	2.404	20	30		FEEDMO
CC[C@H](O)C[N@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1	ZINC000441068795	560022797	/nfs/dbraw/zinc/02/27/97/560022797.db2.gz	VRKIJIQWBNWWSZ-FQEVSTJZSA-N	1	1	351.450	2.448	20	30		FEEDMO
CC[C@H](O)C[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1	ZINC000441068795	560022798	/nfs/dbraw/zinc/02/27/98/560022798.db2.gz	VRKIJIQWBNWWSZ-FQEVSTJZSA-N	1	1	351.450	2.448	20	30		FEEDMO
CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@H]1C	ZINC000441106268	560024033	/nfs/dbraw/zinc/02/40/33/560024033.db2.gz	QYIJXIXQHRUFLS-HZPDHXFCSA-N	1	1	372.469	2.249	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@H]1C	ZINC000441106268	560024034	/nfs/dbraw/zinc/02/40/34/560024034.db2.gz	QYIJXIXQHRUFLS-HZPDHXFCSA-N	1	1	372.469	2.249	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNc2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000443515082	560086016	/nfs/dbraw/zinc/08/60/16/560086016.db2.gz	BBIYJBDOWPTVLG-ZDUSSCGKSA-N	1	1	355.408	2.658	20	30		FEEDMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C3(C#N)CCCC3)n2)c1C	ZINC000447699600	560167389	/nfs/dbraw/zinc/16/73/89/560167389.db2.gz	QFSJIQKVFHUEFV-UHFFFAOYSA-N	1	1	354.414	2.369	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000448323937	560184515	/nfs/dbraw/zinc/18/45/15/560184515.db2.gz	ZVKISBKVQLUTAW-OAHLLOKOSA-N	1	1	362.861	2.387	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)c1cccc(C#N)c1Br	ZINC000448691922	560194631	/nfs/dbraw/zinc/19/46/31/560194631.db2.gz	UMBUGFWVWKUZFY-UHFFFAOYSA-N	1	1	354.248	2.019	20	30		FEEDMO
CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cc(C#N)[nH]c1C	ZINC000448794166	560199655	/nfs/dbraw/zinc/19/96/55/560199655.db2.gz	BEZLBPFAPYVOIR-INIZCTEOSA-N	1	1	360.458	2.075	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1	ZINC000448796962	560199886	/nfs/dbraw/zinc/19/98/86/560199886.db2.gz	PJJMAFWQBOMJFS-AWEZNQCLSA-N	1	1	352.438	2.346	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1	ZINC000448796962	560199887	/nfs/dbraw/zinc/19/98/87/560199887.db2.gz	PJJMAFWQBOMJFS-AWEZNQCLSA-N	1	1	352.438	2.346	20	30		FEEDMO
C[C@H]1C[C@]1(C#N)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000448836671	560201708	/nfs/dbraw/zinc/20/17/08/560201708.db2.gz	PXQYLCRIAIQZLK-MGPUTAFESA-N	1	1	352.438	2.462	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000449819090	560241096	/nfs/dbraw/zinc/24/10/96/560241096.db2.gz	HIDWSVNFIPGZIW-CYBMUJFWSA-N	1	1	366.259	2.300	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1	ZINC000449854108	560242812	/nfs/dbraw/zinc/24/28/12/560242812.db2.gz	FBQHDLPPXLDFRZ-LBPRGKRZSA-N	1	1	366.259	2.252	20	30		FEEDMO
C=CCOc1ccc(CC(=O)N2C[C@@H](CC)[C@@H]([NH+]3CCOCC3)C2)cc1	ZINC000449983982	560247110	/nfs/dbraw/zinc/24/71/10/560247110.db2.gz	FGPQURBVUWWIHF-QUCCMNQESA-N	1	1	358.482	2.363	20	30		FEEDMO
C=CCOc1ccc(CC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](CC)C2)cc1	ZINC000449983981	560247121	/nfs/dbraw/zinc/24/71/21/560247121.db2.gz	FGPQURBVUWWIHF-ICSRJNTNSA-N	1	1	358.482	2.363	20	30		FEEDMO
CC(C)c1ccc(C[NH+]2CCN(C(=O)Cn3cc(C#N)cn3)CC2)cc1	ZINC000450952427	560279676	/nfs/dbraw/zinc/27/96/76/560279676.db2.gz	SZJTUVNSONAXPB-UHFFFAOYSA-N	1	1	351.454	2.223	20	30		FEEDMO
CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC12COC2	ZINC000451135046	560289135	/nfs/dbraw/zinc/28/91/35/560289135.db2.gz	MBNWQUWRPOVXSY-AWEZNQCLSA-N	1	1	366.364	2.171	20	30		FEEDMO
CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC12COC2	ZINC000451135046	560289136	/nfs/dbraw/zinc/28/91/36/560289136.db2.gz	MBNWQUWRPOVXSY-AWEZNQCLSA-N	1	1	366.364	2.171	20	30		FEEDMO
COc1c(C)c[nH+]c(Cn2cnc(NC(=O)c3cc(C#N)[nH]c3C)n2)c1C	ZINC000451292613	560298469	/nfs/dbraw/zinc/29/84/69/560298469.db2.gz	UGCSIVWOUCCYNB-UHFFFAOYSA-N	1	1	365.397	2.107	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000451550441	560314013	/nfs/dbraw/zinc/31/40/13/560314013.db2.gz	RRSCBMWAUNIETN-ZFWWWQNUSA-N	1	1	360.414	2.175	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000451550441	560314014	/nfs/dbraw/zinc/31/40/14/560314014.db2.gz	RRSCBMWAUNIETN-ZFWWWQNUSA-N	1	1	360.414	2.175	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1	ZINC000451703122	560323301	/nfs/dbraw/zinc/32/33/01/560323301.db2.gz	DOCRMHOTMOEOHG-MOPGFXCFSA-N	1	1	356.514	2.448	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1	ZINC000451903652	560336220	/nfs/dbraw/zinc/33/62/20/560336220.db2.gz	JNULCSXGTASVIP-BFYDXBDKSA-N	1	1	359.388	2.400	20	30		FEEDMO
C=CCn1c([C@@H]2CCCCO2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1	ZINC000453431623	560386538	/nfs/dbraw/zinc/38/65/38/560386538.db2.gz	AHYOBMPJXZMEBV-INIZCTEOSA-N	1	1	363.506	2.253	20	30		FEEDMO
C=CCn1c([C@@H]2CCCCO2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1	ZINC000453431623	560386539	/nfs/dbraw/zinc/38/65/39/560386539.db2.gz	AHYOBMPJXZMEBV-INIZCTEOSA-N	1	1	363.506	2.253	20	30		FEEDMO
N#CCc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)c1	ZINC000453573773	560389205	/nfs/dbraw/zinc/38/92/05/560389205.db2.gz	HRBIOKAFXPWFQI-JKSUJKDBSA-N	1	1	360.845	2.088	20	30		FEEDMO
N#CCc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000453585201	560389687	/nfs/dbraw/zinc/38/96/87/560389687.db2.gz	XFNRGVKSGUZHOE-QGZVFWFLSA-N	1	1	366.421	2.237	20	30		FEEDMO
CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000453665417	560394805	/nfs/dbraw/zinc/39/48/05/560394805.db2.gz	GUBHGGTYIYCGMR-BLLLJJGKSA-N	1	1	362.861	2.189	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1	ZINC000453757953	560402191	/nfs/dbraw/zinc/40/21/91/560402191.db2.gz	REXQVELLMOCQCQ-UHFFFAOYSA-N	1	1	368.437	2.379	20	30		FEEDMO
C=CCC1(CNC(=O)NC2CC[NH+](CC(=O)NCCC)CC2)CCCC1	ZINC000454274046	560437618	/nfs/dbraw/zinc/43/76/18/560437618.db2.gz	UATLICXVPDJBGE-UHFFFAOYSA-N	1	1	364.534	2.413	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCC[N@H+]1CCO	ZINC000454570204	560450002	/nfs/dbraw/zinc/45/00/02/560450002.db2.gz	DLOLSTGEFLSAII-INIZCTEOSA-N	1	1	360.458	2.314	20	30		FEEDMO
C=C(CC)CNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000455518395	560485399	/nfs/dbraw/zinc/48/53/99/560485399.db2.gz	GLUCZPOGFZMSHH-GOSISDBHSA-N	1	1	358.486	2.149	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)CC[N@H+]1CCOC	ZINC000455777964	560494575	/nfs/dbraw/zinc/49/45/75/560494575.db2.gz	GEHCMXBFUMKMQN-ZDUSSCGKSA-N	1	1	351.838	2.181	20	30		FEEDMO
C[C@@H](Cc1cnn(C)c1)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000457401679	560565238	/nfs/dbraw/zinc/56/52/38/560565238.db2.gz	MGSTUQAWYQQHPE-KRWDZBQOSA-N	1	1	365.481	2.205	20	30		FEEDMO
C[C@@H](Cc1cnn(C)c1)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000457401679	560565239	/nfs/dbraw/zinc/56/52/39/560565239.db2.gz	MGSTUQAWYQQHPE-KRWDZBQOSA-N	1	1	365.481	2.205	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C)c(C#N)cn2)[C@@H]1c1ccccc1	ZINC000457804549	560588824	/nfs/dbraw/zinc/58/88/24/560588824.db2.gz	WRKFXDXYWVOACV-PMACEKPBSA-N	1	1	364.449	2.454	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C)c(C#N)cn2)[C@@H]1c1ccccc1	ZINC000457804549	560588825	/nfs/dbraw/zinc/58/88/25/560588825.db2.gz	WRKFXDXYWVOACV-PMACEKPBSA-N	1	1	364.449	2.454	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1	ZINC000459821142	560710819	/nfs/dbraw/zinc/71/08/19/560710819.db2.gz	KKOJUODXGPCHAK-PMACEKPBSA-N	1	1	369.509	2.392	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000459863231	560714495	/nfs/dbraw/zinc/71/44/95/560714495.db2.gz	FNPUWNQWIZNDQU-INIZCTEOSA-N	1	1	363.527	2.453	20	30		FEEDMO
C[C@H](CNC(=O)N[C@@H]1CCC[C@H]1C#N)[NH+]1CCN(c2ccccc2)CC1	ZINC000461963621	560789866	/nfs/dbraw/zinc/78/98/66/560789866.db2.gz	ZPDNDNKJQAPWFG-ZIFCJYIRSA-N	1	1	355.486	2.189	20	30		FEEDMO
CC[N@@H+](CCC1CCN(S(=O)(=O)CC2(C#N)CC2)CC1)CC1CC1	ZINC000463878751	560827663	/nfs/dbraw/zinc/82/76/63/560827663.db2.gz	NRQVORSJZVNUNF-UHFFFAOYSA-N	1	1	353.532	2.454	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@@H]1C	ZINC000467155404	560905176	/nfs/dbraw/zinc/90/51/76/560905176.db2.gz	OIGPZRUKMXWBAX-AAEUAGOBSA-N	1	1	357.426	2.330	20	30		FEEDMO
CC[C@@H](CO)[N@@H+](CC(=O)NCc1cccc(C#N)c1)Cc1ccccc1	ZINC000467198318	560906185	/nfs/dbraw/zinc/90/61/85/560906185.db2.gz	XUPGLDBMOHDTDM-FQEVSTJZSA-N	1	1	351.450	2.448	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OCc2ccccc2F)C1	ZINC000470916812	560994001	/nfs/dbraw/zinc/99/40/01/560994001.db2.gz	KIGGCWZCSLOBJL-ZBFHGGJFSA-N	1	1	363.433	2.207	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](OCc2ccccc2F)C1	ZINC000470916812	560994002	/nfs/dbraw/zinc/99/40/02/560994002.db2.gz	KIGGCWZCSLOBJL-ZBFHGGJFSA-N	1	1	363.433	2.207	20	30		FEEDMO
C=CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000472244781	561021715	/nfs/dbraw/zinc/02/17/15/561021715.db2.gz	XXMAKWHPBGEKJI-CQSZACIVSA-N	1	1	368.401	2.016	20	30		FEEDMO
C=CCC[C@@H](O)C[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000472749544	561034266	/nfs/dbraw/zinc/03/42/66/561034266.db2.gz	LACWKJWNEAEOPN-DLBZAZTESA-N	1	1	353.484	2.011	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000472749544	561034267	/nfs/dbraw/zinc/03/42/67/561034267.db2.gz	LACWKJWNEAEOPN-DLBZAZTESA-N	1	1	353.484	2.011	20	30		FEEDMO
O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000473338361	561047781	/nfs/dbraw/zinc/04/77/81/561047781.db2.gz	XWPWQPBZMMRTAR-LJQANCHMSA-N	1	1	373.456	2.378	20	30		FEEDMO
N#Cc1ccc(OCc2ccc(C(=O)NCC[N@@H+]3CCCOCC3)o2)cc1	ZINC000474312698	561071029	/nfs/dbraw/zinc/07/10/29/561071029.db2.gz	PPYYVMSOVZGUHW-UHFFFAOYSA-N	1	1	369.421	2.182	20	30		FEEDMO
N#Cc1ccc(OCc2ccc(C(=O)NCC[N@H+]3CCCOCC3)o2)cc1	ZINC000474312698	561071030	/nfs/dbraw/zinc/07/10/30/561071030.db2.gz	PPYYVMSOVZGUHW-UHFFFAOYSA-N	1	1	369.421	2.182	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)C(=O)c2cnn(C)c2C#N)CC[N@H+]1Cc1ccccc1	ZINC000476083184	561111079	/nfs/dbraw/zinc/11/10/79/561111079.db2.gz	BEFROPUIJSXZGJ-NVXWUHKLSA-N	1	1	351.454	2.417	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cnn(C)c3C#N)cc2)C1	ZINC000476125635	561111603	/nfs/dbraw/zinc/11/16/03/561111603.db2.gz	ALTQZEARWHDVKQ-CQSZACIVSA-N	1	1	353.426	2.265	20	30		FEEDMO
COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1	ZINC000476195206	561112969	/nfs/dbraw/zinc/11/29/69/561112969.db2.gz	BYKDKFUUOQBPIU-SJLPKXTDSA-N	1	1	357.454	2.170	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528380967	562325890	/nfs/dbraw/zinc/32/58/90/562325890.db2.gz	LBWKBAFRWZRFKL-AEFFLSMTSA-N	1	1	373.497	2.172	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1	ZINC000528495710	562332302	/nfs/dbraw/zinc/33/23/02/562332302.db2.gz	ZPMZRGOCRRDNSZ-RTWAWAEBSA-N	1	1	373.456	2.321	20	30		FEEDMO
C[N@H+]1CC[C@@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1	ZINC000528495710	562332303	/nfs/dbraw/zinc/33/23/03/562332303.db2.gz	ZPMZRGOCRRDNSZ-RTWAWAEBSA-N	1	1	373.456	2.321	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1C[C@@H](O)COc1ccccc1C#N	ZINC000528513868	562333320	/nfs/dbraw/zinc/33/33/20/562333320.db2.gz	WLXKLYCZTGPUMS-JFIYKMOQSA-N	1	1	373.497	2.265	20	30		FEEDMO
C[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CC[N@H+](C2CCC2)C1	ZINC000528513019	562333434	/nfs/dbraw/zinc/33/34/34/562333434.db2.gz	PZMMKZKEFQBANT-QGZVFWFLSA-N	1	1	365.477	2.092	20	30		FEEDMO
Cn1cc([C@H]2C[N@@H+](C[C@H](O)COc3ccccc3C#N)CC2(C)C)cn1	ZINC000528513686	562333446	/nfs/dbraw/zinc/33/34/46/562333446.db2.gz	FJMBTOLGZPESMH-ZWKOTPCHSA-N	1	1	354.454	2.157	20	30		FEEDMO
C[N@@H+](C[C@@H](O)COc1ccccc1C#N)C1CCN(CC(F)(F)F)CC1	ZINC000528518008	562333566	/nfs/dbraw/zinc/33/35/66/562333566.db2.gz	OYDQPLOKAKPHFL-MRXNPFEDSA-N	1	1	371.403	2.256	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2ccc(COC)c(C#N)c2)CC[N@H+]1CCOC	ZINC000529212605	562364979	/nfs/dbraw/zinc/36/49/79/562364979.db2.gz	KUDMYRQPVAJANK-SFHVURJKSA-N	1	1	360.458	2.279	20	30		FEEDMO
N#Cc1ccc(CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1	ZINC000529409825	562372796	/nfs/dbraw/zinc/37/27/96/562372796.db2.gz	UTJWSHAAMHGAAS-WOJBJXKFSA-N	1	1	360.461	2.476	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)c1C#N	ZINC000530360959	562408167	/nfs/dbraw/zinc/40/81/67/562408167.db2.gz	QWFNFBIYLBSKDU-PXAZEXFGSA-N	1	1	370.428	2.499	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)c1C#N	ZINC000530360959	562408168	/nfs/dbraw/zinc/40/81/68/562408168.db2.gz	QWFNFBIYLBSKDU-PXAZEXFGSA-N	1	1	370.428	2.499	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1	ZINC000531044473	562432631	/nfs/dbraw/zinc/43/26/31/562432631.db2.gz	NCVGWPGHHKKQLT-CABCVRRESA-N	1	1	374.510	2.477	20	30		FEEDMO
CC(C)(O)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CCOCC1	ZINC000531416004	562445164	/nfs/dbraw/zinc/44/51/64/562445164.db2.gz	AVLNQACWXUHEQR-UHFFFAOYSA-N	1	1	359.470	2.185	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1F	ZINC000533038952	562496479	/nfs/dbraw/zinc/49/64/79/562496479.db2.gz	WJGAJSLFPBMYKE-OAHLLOKOSA-N	1	1	353.463	2.486	20	30		FEEDMO
N#C[C@@H](c1ccccc1)N1CC[NH+](CCc2nnnn2-c2ccccc2)CC1	ZINC000533070137	562497248	/nfs/dbraw/zinc/49/72/48/562497248.db2.gz	TUIBHINIXBMXFG-FQEVSTJZSA-N	1	1	373.464	2.087	20	30		FEEDMO
Cc1cccc(C[NH+]2CCN(C(=O)CN(C[C@H](C)C#N)C3CC3)CC2)c1	ZINC000533598538	562514247	/nfs/dbraw/zinc/51/42/47/562514247.db2.gz	ZVGYJBGHOMCISF-GOSISDBHSA-N	1	1	354.498	2.263	20	30		FEEDMO
C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCOc2ccc(C#N)cc2)C1	ZINC000534531213	562536180	/nfs/dbraw/zinc/53/61/80/562536180.db2.gz	PHVCBMFFRVVGCH-LJQANCHMSA-N	1	1	350.422	2.423	20	30		FEEDMO
C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCOc2ccc(C#N)cc2)C1	ZINC000534531213	562536181	/nfs/dbraw/zinc/53/61/81/562536181.db2.gz	PHVCBMFFRVVGCH-LJQANCHMSA-N	1	1	350.422	2.423	20	30		FEEDMO
CN1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c2ccc[nH+]c21	ZINC000535668140	562563782	/nfs/dbraw/zinc/56/37/82/562563782.db2.gz	BSSMKDMBHXNKHK-UHFFFAOYSA-N	1	1	373.420	2.034	20	30		FEEDMO
C=CCOCCCC(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1	ZINC000536922795	562582709	/nfs/dbraw/zinc/58/27/09/562582709.db2.gz	SZZUIIILYHNSLK-ROUUACIJSA-N	1	1	368.518	2.086	20	30		FEEDMO
C=CCOCCCC(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000536922794	562582789	/nfs/dbraw/zinc/58/27/89/562582789.db2.gz	SZZUIIILYHNSLK-QZTJIDSGSA-N	1	1	368.518	2.086	20	30		FEEDMO
CC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@H]1CCN(CC(F)(F)F)C1	ZINC000602890638	568007132	/nfs/dbraw/zinc/00/71/32/568007132.db2.gz	BWIAGBFZESQTHP-LSDHHAIUSA-N	1	1	363.424	2.016	20	30		FEEDMO
N#CCc1ccc(CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)cc1	ZINC000563137999	568272075	/nfs/dbraw/zinc/27/20/75/568272075.db2.gz	DJIGGSCXWJNXGY-LJQANCHMSA-N	1	1	373.453	2.368	20	30		FEEDMO
COc1c(C)c[nH+]c(CN2CCC(N(C)c3ccnc(C#N)n3)CC2)c1C	ZINC000569258351	568321106	/nfs/dbraw/zinc/32/11/06/568321106.db2.gz	COMZSMAYRLJMGB-UHFFFAOYSA-N	1	1	366.469	2.470	20	30		FEEDMO
CC(C)[C@H](C#N)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1	ZINC000609484906	568345001	/nfs/dbraw/zinc/34/50/01/568345001.db2.gz	GUEFLFJFLCOJBI-KRWDZBQOSA-N	1	1	359.430	2.089	20	30		FEEDMO
N#Cc1ccncc1N1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1	ZINC000569394468	568400527	/nfs/dbraw/zinc/40/05/27/568400527.db2.gz	YJCICHCZJPECBN-SFHVURJKSA-N	1	1	367.497	2.256	20	30		FEEDMO
C=CCCC[NH+]1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1	ZINC000735413340	599267963	/nfs/dbraw/zinc/26/79/63/599267963.db2.gz	SHBIOSBTLQPTJX-UHFFFAOYSA-N	1	1	355.402	2.203	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(F)c1	ZINC000737718227	598235273	/nfs/dbraw/zinc/23/52/73/598235273.db2.gz	MOIPBHHABCGXNS-UHFFFAOYSA-N	1	1	363.400	2.200	20	30		FEEDMO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@H+](C)CCCC	ZINC000735420681	598783246	/nfs/dbraw/zinc/78/32/46/598783246.db2.gz	PULVLKHIBBVQHR-UHFFFAOYSA-N	1	1	371.489	2.296	20	30		FEEDMO
N#Cc1csc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1	ZINC000810133582	674534283	/nfs/dbraw/zinc/53/42/83/674534283.db2.gz	JGZBWAZDXHSCJH-AWEZNQCLSA-N	1	1	355.467	2.006	20	30		FEEDMO
CON(C)C(=O)C1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1	ZINC000812870800	674703993	/nfs/dbraw/zinc/70/39/93/674703993.db2.gz	CMONLMUVWLEZEL-UHFFFAOYSA-N	1	1	353.369	2.391	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3snc(C)c3C#N)C2)CC1	ZINC000562701905	674789907	/nfs/dbraw/zinc/78/99/07/674789907.db2.gz	IWPYQAPMDMBQNB-INIZCTEOSA-N	1	1	361.515	2.094	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1sc(C)cc1Br	ZINC000815082454	674914099	/nfs/dbraw/zinc/91/40/99/674914099.db2.gz	RRYVACNXYHWWAH-UHFFFAOYSA-N	1	1	365.318	2.052	20	30		FEEDMO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C	ZINC000815083020	674914486	/nfs/dbraw/zinc/91/44/86/674914486.db2.gz	LGWPEZSGFOESNB-UHFFFAOYSA-N	1	1	352.500	2.360	20	30		FEEDMO
C=CCC(F)(F)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1	ZINC000815721590	674968127	/nfs/dbraw/zinc/96/81/27/674968127.db2.gz	QCEZNAMXZGNTTD-UHFFFAOYSA-N	1	1	353.413	2.463	20	30		FEEDMO
C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCc2ccccc2C1	ZINC000579520905	671741859	/nfs/dbraw/zinc/74/18/59/671741859.db2.gz	OQFNBSYQFLOLNA-GOSISDBHSA-N	1	1	355.463	2.216	20	30		FEEDMO
C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCc2ccccc2C1	ZINC000579520905	671741863	/nfs/dbraw/zinc/74/18/63/671741863.db2.gz	OQFNBSYQFLOLNA-GOSISDBHSA-N	1	1	355.463	2.216	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(Nc2c(C#N)cnc3c(Cl)cccc32)CC1	ZINC000579826813	671763320	/nfs/dbraw/zinc/76/33/20/671763320.db2.gz	RLRSLPHRPYTTOJ-UHFFFAOYSA-N	1	1	357.845	2.382	20	30		FEEDMO
C[N@@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C2(CCCCC2)C1	ZINC000580391578	671802735	/nfs/dbraw/zinc/80/27/35/671802735.db2.gz	YRQDQZSVKYVKPR-UHFFFAOYSA-N	1	1	351.447	2.336	20	30		FEEDMO
C[N@H+]1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)C2(CCCCC2)C1	ZINC000580391578	671802737	/nfs/dbraw/zinc/80/27/37/671802737.db2.gz	YRQDQZSVKYVKPR-UHFFFAOYSA-N	1	1	351.447	2.336	20	30		FEEDMO
CC[C@@H]1C[N@H+](C)CCN1C(=O)COc1cccc(Br)c1C#N	ZINC000580815599	671836374	/nfs/dbraw/zinc/83/63/74/671836374.db2.gz	RPGYOCVCGSZCSL-GFCCVEGCSA-N	1	1	366.259	2.252	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)COc1cccc(Br)c1C#N	ZINC000580815599	671836380	/nfs/dbraw/zinc/83/63/80/671836380.db2.gz	RPGYOCVCGSZCSL-GFCCVEGCSA-N	1	1	366.259	2.252	20	30		FEEDMO
C[C@H]1CN=C(N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)S1	ZINC000175790525	672370621	/nfs/dbraw/zinc/37/06/21/672370621.db2.gz	FHKRBJWBNIXEFM-LBPRGKRZSA-N	1	1	363.512	2.057	20	30		FEEDMO
C#CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(F)cc1	ZINC000177025749	672379237	/nfs/dbraw/zinc/37/92/37/672379237.db2.gz	IDALQVQSWBBFEW-UHFFFAOYSA-N	1	1	359.323	2.039	20	30		FEEDMO
C=CCNc1nnc(SC[C@@H](O)C[N@H+](C)Cc2ccccc2)s1	ZINC000588690326	672472856	/nfs/dbraw/zinc/47/28/56/672472856.db2.gz	WMICMSHTAKAQDA-AWEZNQCLSA-N	1	1	350.513	2.721	20	30		FEEDMO
CC(C)[C@H](C#N)N1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1	ZINC000611432050	676036849	/nfs/dbraw/zinc/03/68/49/676036849.db2.gz	JRIVJPMQBVEYSM-WBVHZDCISA-N	1	1	351.878	2.245	20	30		FEEDMO
C=C(C)[C@H](CO)[NH+]1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1	ZINC000590700536	672603727	/nfs/dbraw/zinc/60/37/27/672603727.db2.gz	IEZAZAYTCVVMHG-DLBZAZTESA-N	1	1	352.862	2.109	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c(Cl)c1	ZINC000590774137	672615966	/nfs/dbraw/zinc/61/59/66/672615966.db2.gz	WHFNZARAEAIGML-LBPRGKRZSA-N	1	1	356.253	2.442	20	30		FEEDMO
CSc1ccc(OC[C@H](O)C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1	ZINC000591020218	672642276	/nfs/dbraw/zinc/64/22/76/672642276.db2.gz	UVBYLGULBNRAEG-APWZRJJASA-N	1	1	363.527	2.314	20	30		FEEDMO
CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCCOC(F)F)CC1=O	ZINC000193240176	672717873	/nfs/dbraw/zinc/71/78/73/672717873.db2.gz	SKZXZBKKBNGZPG-UHFFFAOYSA-N	1	1	350.369	2.275	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C	ZINC000592127562	672761500	/nfs/dbraw/zinc/76/15/00/672761500.db2.gz	JPMMXUHMTSJFLW-UHIISALHSA-N	1	1	361.467	2.176	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C	ZINC000592127562	672761504	/nfs/dbraw/zinc/76/15/04/672761504.db2.gz	JPMMXUHMTSJFLW-UHIISALHSA-N	1	1	361.467	2.176	20	30		FEEDMO
N#Cc1cnn2c1NC[C@H](C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1)C2	ZINC000592505077	672809467	/nfs/dbraw/zinc/80/94/67/672809467.db2.gz	RHUKDSLXUSQTBJ-IEBDPFPHSA-N	1	1	367.297	2.469	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC(Cn3cnnc3)CC2)cc1Cl	ZINC000593075528	672872226	/nfs/dbraw/zinc/87/22/26/672872226.db2.gz	GJSDAMRUOGAHGN-UHFFFAOYSA-N	1	1	358.833	2.154	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1C1CC1	ZINC000593130462	672880781	/nfs/dbraw/zinc/88/07/81/672880781.db2.gz	FHPNHRJCSAAMEJ-LSDHHAIUSA-N	1	1	361.829	2.281	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H]1C1CC1	ZINC000593130462	672880782	/nfs/dbraw/zinc/88/07/82/672880782.db2.gz	FHPNHRJCSAAMEJ-LSDHHAIUSA-N	1	1	361.829	2.281	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CON=Cc2ccc(Cl)cc2)C1	ZINC000254942781	672881118	/nfs/dbraw/zinc/88/11/18/672881118.db2.gz	SFBQVHWUAUBMRR-KRWDZBQOSA-N	1	1	367.877	2.164	20	30		FEEDMO
CC[C@@H]1CN(C(NCC(C)(C)N2CCC(OC)CC2)=[NH+]C)CCS1	ZINC000262039375	672908438	/nfs/dbraw/zinc/90/84/38/672908438.db2.gz	YDNKYOQSRPZPOP-MRXNPFEDSA-N	1	1	356.580	2.279	20	30		FEEDMO
N#Cc1sccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000593565840	672945020	/nfs/dbraw/zinc/94/50/20/672945020.db2.gz	AEGKELUHWHHBCO-TZMCWYRMSA-N	1	1	351.497	2.257	20	30		FEEDMO
CCC(CC)[C@@H](CNC(=[NH2+])NCc1ccc(OC)c(OC)c1)N(C)C	ZINC000303784555	673017717	/nfs/dbraw/zinc/01/77/17/673017717.db2.gz	PGQFPYFAKCULGR-MRXNPFEDSA-N	1	1	350.507	2.475	20	30		FEEDMO
C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1nc(C(C)(C)C)cs1	ZINC000329417862	673077000	/nfs/dbraw/zinc/07/70/00/673077000.db2.gz	DNMYMJNWDOQCKO-QWHCGFSZSA-N	1	1	353.536	2.251	20	30		FEEDMO
N#Cc1cc(F)ccc1CS(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000594483022	673086426	/nfs/dbraw/zinc/08/64/26/673086426.db2.gz	HPZGUWTUUUIQAN-DLBZAZTESA-N	1	1	351.447	2.134	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(F)cc1Cl	ZINC000730546818	673283690	/nfs/dbraw/zinc/28/36/90/673283690.db2.gz	VRSTWTKDPGHMLV-UHFFFAOYSA-N	1	1	372.897	2.390	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1Cl	ZINC000595744961	673288241	/nfs/dbraw/zinc/28/82/41/673288241.db2.gz	WTUSOGYIMPTKSX-BBRMVZONSA-N	1	1	360.845	2.141	20	30		FEEDMO
Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)cc(C#N)c1[N+](=O)[O-]	ZINC000596086783	673357283	/nfs/dbraw/zinc/35/72/83/673357283.db2.gz	BKOAMBMACABJFF-KRWDZBQOSA-N	1	1	362.455	2.395	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c1	ZINC000536348188	673368202	/nfs/dbraw/zinc/36/82/02/673368202.db2.gz	HHIYFSYDFDFHBS-ROUUACIJSA-N	1	1	359.495	2.161	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1(C#N)CCCCC1)c1ccsc1	ZINC000597187171	673455375	/nfs/dbraw/zinc/45/53/75/673455375.db2.gz	LQUJKKMFBZJZNB-HNNXBMFYSA-N	1	1	362.499	2.057	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2	ZINC000597627425	673494200	/nfs/dbraw/zinc/49/42/00/673494200.db2.gz	ZRILGERXGLRTRG-HNNXBMFYSA-N	1	1	354.479	2.201	20	30		FEEDMO
C=CCSCCNC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000543745911	673667765	/nfs/dbraw/zinc/66/77/65/673667765.db2.gz	SSMGODNPNIDTPF-FUHWJXTLSA-N	1	1	363.527	2.494	20	30		FEEDMO
C=CCSCCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000543745911	673667767	/nfs/dbraw/zinc/66/77/67/673667767.db2.gz	SSMGODNPNIDTPF-FUHWJXTLSA-N	1	1	363.527	2.494	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000599586535	673694506	/nfs/dbraw/zinc/69/45/06/673694506.db2.gz	AMZGNBLAFVGXEK-PMPSAXMXSA-N	1	1	351.491	2.294	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1	ZINC000599586535	673694507	/nfs/dbraw/zinc/69/45/07/673694507.db2.gz	AMZGNBLAFVGXEK-PMPSAXMXSA-N	1	1	351.491	2.294	20	30		FEEDMO
CCc1ccc(C(C)=NNC(=S)NCCC[NH+]2CCOCC2)s1	ZINC000744727956	673808993	/nfs/dbraw/zinc/80/89/93/673808993.db2.gz	IZEZNUSQECMPJU-UHFFFAOYSA-N	1	1	354.545	2.221	20	30		FEEDMO
N#Cc1c(NC(=O)C[NH2+]C2(C(N)=O)CCCC2)sc2c1CCCCC2	ZINC000746475968	673880503	/nfs/dbraw/zinc/88/05/03/673880503.db2.gz	XPCTUBBXFOSKBY-UHFFFAOYSA-N	1	1	360.483	2.215	20	30		FEEDMO
COc1ccc(C[N@@H+](CCN2CCOCC2)[C@H]2CCSC2)cc1C#N	ZINC000602880208	673912261	/nfs/dbraw/zinc/91/22/61/673912261.db2.gz	FORJCNUXVMDPTK-SFHVURJKSA-N	1	1	361.511	2.207	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000818595929	675227038	/nfs/dbraw/zinc/22/70/38/675227038.db2.gz	UIXCVUINUVWGIN-UHFFFAOYSA-N	1	1	358.423	2.403	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl	ZINC000818595693	675227107	/nfs/dbraw/zinc/22/71/07/675227107.db2.gz	KBUNUGQUABJMCA-LBPRGKRZSA-N	1	1	370.280	2.183	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@H](C)Oc1ccccc1Br	ZINC000818602759	675227812	/nfs/dbraw/zinc/22/78/12/675227812.db2.gz	COHXEGUBBGVQFW-CYBMUJFWSA-N	1	1	353.260	2.288	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1	ZINC000818609460	675228589	/nfs/dbraw/zinc/22/85/89/675228589.db2.gz	YOBWOOOYTMOCJO-UHFFFAOYSA-N	1	1	357.435	2.224	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819452291	675291600	/nfs/dbraw/zinc/29/16/00/675291600.db2.gz	KKYPPNDQVLCHBJ-KFWWJZLASA-N	1	1	352.479	2.125	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccc(Cl)cc1F	ZINC000820750144	675384943	/nfs/dbraw/zinc/38/49/43/675384943.db2.gz	LAQUQOXGWRRHFE-YOEHRIQHSA-N	1	1	367.852	2.299	20	30		FEEDMO
C[N@@H+](CCCO)C1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1	ZINC000619826547	676396605	/nfs/dbraw/zinc/39/66/05/676396605.db2.gz	BDLHRJAZTMSTJI-UHFFFAOYSA-N	1	1	364.877	2.200	20	30		FEEDMO
CC[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCc1nccs1	ZINC000625271750	676635471	/nfs/dbraw/zinc/63/54/71/676635471.db2.gz	VVDHCEQIPIEOSR-UHFFFAOYSA-N	1	1	353.447	2.307	20	30		FEEDMO
O=C(NCC#CCO)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccs1	ZINC000626928007	676728931	/nfs/dbraw/zinc/72/89/31/676728931.db2.gz	IWYFGRFENIRTPA-QZTJIDSGSA-N	1	1	354.475	2.076	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000661597639	678509272	/nfs/dbraw/zinc/50/92/72/678509272.db2.gz	MBZWBZZHMUGTNA-ZMSDIMECSA-N	1	1	361.511	2.252	20	30		FEEDMO
C=CC[C@H]1CCCN(C(=O)C(=O)NCC[N@@H+](CC)CCC(F)(F)F)C1	ZINC000669333161	679229859	/nfs/dbraw/zinc/22/98/59/679229859.db2.gz	KAVDZLPDLSRCCI-AWEZNQCLSA-N	1	1	363.424	2.192	20	30		FEEDMO
C=CC[C@H]1CCCN(C(=O)C(=O)NCC[N@H+](CC)CCC(F)(F)F)C1	ZINC000669333161	679229861	/nfs/dbraw/zinc/22/98/61/679229861.db2.gz	KAVDZLPDLSRCCI-AWEZNQCLSA-N	1	1	363.424	2.192	20	30		FEEDMO
COC[C@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000674500003	679492087	/nfs/dbraw/zinc/49/20/87/679492087.db2.gz	LMLYKFLSKTUFKM-MRXNPFEDSA-N	1	1	354.372	2.284	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2cccc(F)n2)CC1	ZINC000831467867	679987033	/nfs/dbraw/zinc/98/70/33/679987033.db2.gz	CMLMESLWXCIJHX-UHFFFAOYSA-N	1	1	359.430	2.305	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2snnc2C)C1	ZINC001017211391	680073155	/nfs/dbraw/zinc/07/31/55/680073155.db2.gz	ABUYICATZCSWTN-OAGGEKHMSA-N	1	1	364.515	2.108	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2nnc(C)s2)C1	ZINC001020726843	680113752	/nfs/dbraw/zinc/11/37/52/680113752.db2.gz	XZAYKZZLDFLSPR-OLOXDWRXSA-N	1	1	350.488	2.126	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC000977803431	680164039	/nfs/dbraw/zinc/16/40/39/680164039.db2.gz	ANXTYBDYLGGNTB-BPLDGKMQSA-N	1	1	355.910	2.165	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1	ZINC001022212416	680202888	/nfs/dbraw/zinc/20/28/88/680202888.db2.gz	CQFDRMMOANMJHE-HRCADAONSA-N	1	1	367.921	2.166	20	30		FEEDMO
COc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cc(Br)c1O	ZINC000753941360	680325653	/nfs/dbraw/zinc/32/56/53/680325653.db2.gz	YVDXEFYVCCPFFU-VXGBXAGGSA-N	1	1	367.247	2.357	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC001028603956	680377458	/nfs/dbraw/zinc/37/74/58/680377458.db2.gz	NBDYKKJKFJFCKF-OIISXLGYSA-N	1	1	366.893	2.078	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC001028603956	680377462	/nfs/dbraw/zinc/37/74/62/680377462.db2.gz	NBDYKKJKFJFCKF-OIISXLGYSA-N	1	1	366.893	2.078	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2csc(Cl)n2)C1	ZINC001000243694	680424837	/nfs/dbraw/zinc/42/48/37/680424837.db2.gz	DQXNPHNNRMNXGD-YUTCNCBUSA-N	1	1	355.891	2.468	20	30		FEEDMO
C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001033875364	680427230	/nfs/dbraw/zinc/42/72/30/680427230.db2.gz	RLXNDSZRXARVBF-KFWWJZLASA-N	1	1	364.408	2.222	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCc2ccsc2)CCO1	ZINC001035515908	680449272	/nfs/dbraw/zinc/44/92/72/680449272.db2.gz	LIVYDNQHAUMPDV-KSZLIROESA-N	1	1	364.511	2.089	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCc2ccsc2)CCO1	ZINC001035515908	680449275	/nfs/dbraw/zinc/44/92/75/680449275.db2.gz	LIVYDNQHAUMPDV-KSZLIROESA-N	1	1	364.511	2.089	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000836488765	680476282	/nfs/dbraw/zinc/47/62/82/680476282.db2.gz	ZUJQBNNSZDZVNF-UHFFFAOYSA-N	1	1	362.905	2.122	20	30		FEEDMO
C[C@@H]1CN(c2snc(Cl)c2C#N)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C	ZINC001042422540	680530126	/nfs/dbraw/zinc/53/01/26/680530126.db2.gz	HCCCGXGDPJZSCB-RTXFEEFZSA-N	1	1	367.906	2.093	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](Nc3nc(Cl)c(C#N)s3)C2)C1	ZINC001043516330	680585363	/nfs/dbraw/zinc/58/53/63/680585363.db2.gz	DJNDAXUDWMASNW-IJLUTSLNSA-N	1	1	367.906	2.269	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2snnc2C)CC1	ZINC001006122372	680594103	/nfs/dbraw/zinc/59/41/03/680594103.db2.gz	FZPCKTOHYPKLBS-RDJZCZTQSA-N	1	1	364.515	2.251	20	30		FEEDMO
Cc1cc(Cl)ccc1C=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000767367137	680909151	/nfs/dbraw/zinc/90/91/51/680909151.db2.gz	LRWHMDCLTRXNBV-UHFFFAOYSA-N	1	1	354.907	2.169	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1c1nc(Cl)c(C#N)s1	ZINC001050454892	681048491	/nfs/dbraw/zinc/04/84/91/681048491.db2.gz	PZRIXRDWNKTKBN-WOPDTQHZSA-N	1	1	367.906	2.093	20	30		FEEDMO
Cc1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)c(Cl)c1	ZINC000844566786	681066010	/nfs/dbraw/zinc/06/60/10/681066010.db2.gz	JFFLCKLHWTWUSN-UHFFFAOYSA-N	1	1	354.907	2.169	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NCC2CC(Nc3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001052124644	681071844	/nfs/dbraw/zinc/07/18/44/681071844.db2.gz	RCNPYBLQFUMJOY-HBIQZDMRSA-N	1	1	367.906	2.315	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3ncc(C#N)cc3Cl)C2)CC[N@H+]1C	ZINC001058573466	681172687	/nfs/dbraw/zinc/17/26/87/681172687.db2.gz	MTMKPWNJPZVASJ-IJEWVQPXSA-N	1	1	361.877	2.032	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001058573276	681172854	/nfs/dbraw/zinc/17/28/54/681172854.db2.gz	HZCIDSVJRIZCKM-GRYCIOLGSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=C(Br)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3OCC[C@H]3C)CC[C@@H]2C1	ZINC000946783984	681261487	/nfs/dbraw/zinc/26/14/87/681261487.db2.gz	AAEHZJLAXOZDQT-OJLVUWQFSA-N	1	1	371.319	2.490	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)N[C@@H](CC#N)C(F)(F)F)C[C@@H](C)O1	ZINC000932927051	681329734	/nfs/dbraw/zinc/32/97/34/681329734.db2.gz	QJBRESWSAUPCHY-UTUOFQBUSA-N	1	1	350.385	2.018	20	30		FEEDMO
CCOC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932944031	681332622	/nfs/dbraw/zinc/33/26/22/681332622.db2.gz	QCOQNEKZFGYBMC-XHNCKOQMSA-N	1	1	371.268	2.487	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1ccccc1C(F)(F)F	ZINC000933244807	681379816	/nfs/dbraw/zinc/37/98/16/681379816.db2.gz	CIJIJDNISYETIL-DOMZBBRYSA-N	1	1	357.376	2.337	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)Nc2nc(-c3ccccc3)cs2)CC1	ZINC000776594621	681413032	/nfs/dbraw/zinc/41/30/32/681413032.db2.gz	QOTDUKLUEODTFZ-UHFFFAOYSA-N	1	1	354.479	2.390	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1	ZINC000933445575	681413780	/nfs/dbraw/zinc/41/37/80/681413780.db2.gz	QIBQEFDVYPUKDW-DOTOQJQBSA-N	1	1	362.495	2.038	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1	ZINC000933445575	681413781	/nfs/dbraw/zinc/41/37/81/681413781.db2.gz	QIBQEFDVYPUKDW-DOTOQJQBSA-N	1	1	362.495	2.038	20	30		FEEDMO
CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)Cc2cc(C#N)cs2)cc1	ZINC000933775545	681467060	/nfs/dbraw/zinc/46/70/60/681467060.db2.gz	JMZBOSSXMHLIPR-MRXNPFEDSA-N	1	1	359.451	2.450	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1	ZINC000777310402	681481455	/nfs/dbraw/zinc/48/14/55/681481455.db2.gz	KHEMVIGJKHBUFD-JKSUJKDBSA-N	1	1	350.459	2.321	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCOC2(CC[NH+](CC(=C)Cl)CC2)C1	ZINC000949095251	681616893	/nfs/dbraw/zinc/61/68/93/681616893.db2.gz	DEDRAAQPWNWXMK-SJORKVTESA-N	1	1	368.905	2.414	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](C[C@@H](C)CC)CCO2	ZINC000949477027	681643157	/nfs/dbraw/zinc/64/31/57/681643157.db2.gz	OQEVAIOXZBQNRA-KSZLIROESA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC1)C[N@@H+](CCC)CCO2	ZINC000949489767	681643604	/nfs/dbraw/zinc/64/36/04/681643604.db2.gz	PGKTWODXMCTICN-ROUUACIJSA-N	1	1	350.503	2.461	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1	ZINC000779196361	681687875	/nfs/dbraw/zinc/68/78/75/681687875.db2.gz	SXUPHLUFLQAXSJ-JSGCOSHPSA-N	1	1	355.360	2.478	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1sc2ccc(C#N)cc2c1C	ZINC000849394996	681712214	/nfs/dbraw/zinc/71/22/14/681712214.db2.gz	LGJGBFQDRXWDGQ-UHFFFAOYSA-N	1	1	361.492	2.315	20	30		FEEDMO
N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1	ZINC000849460307	681746395	/nfs/dbraw/zinc/74/63/95/681746395.db2.gz	AINGORDHSJUJRZ-ZDUSSCGKSA-N	1	1	351.447	2.383	20	30		FEEDMO
C=C(Br)CNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1	ZINC000849512130	681755495	/nfs/dbraw/zinc/75/54/95/681755495.db2.gz	YRPCVYFGWNYREO-HUUCEWRRSA-N	1	1	369.307	2.259	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1csc(C#N)c1)c1ccsc1	ZINC000913901066	685488194	/nfs/dbraw/zinc/48/81/94/685488194.db2.gz	NRWTZRBFDAVXJH-CQSZACIVSA-N	1	1	355.510	2.404	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC000938038894	681927159	/nfs/dbraw/zinc/92/71/59/681927159.db2.gz	BLTBLQYTWDEVCK-SOUVJXGZSA-N	1	1	355.910	2.213	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(Cl)n3)C[C@H]21	ZINC000959948461	682013253	/nfs/dbraw/zinc/01/32/53/682013253.db2.gz	UFSYJZDHZQYJEM-LFRCEIEQSA-N	1	1	361.873	2.263	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(Cl)n3)C[C@H]21	ZINC000959948461	682013255	/nfs/dbraw/zinc/01/32/55/682013255.db2.gz	UFSYJZDHZQYJEM-LFRCEIEQSA-N	1	1	361.873	2.263	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000782755946	682080825	/nfs/dbraw/zinc/08/08/25/682080825.db2.gz	XSVAZXFJSLLHLS-KGLIPLIRSA-N	1	1	354.376	2.163	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000782755946	682080833	/nfs/dbraw/zinc/08/08/33/682080833.db2.gz	XSVAZXFJSLLHLS-KGLIPLIRSA-N	1	1	354.376	2.163	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@H]21	ZINC000961996385	682106027	/nfs/dbraw/zinc/10/60/27/682106027.db2.gz	SKMNQJMQDFHVOK-SIRPWMCASA-N	1	1	354.441	2.449	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3csc(C)n3)C[C@H]21	ZINC000962025443	682107434	/nfs/dbraw/zinc/10/74/34/682107434.db2.gz	UNUAJQLTSUFFPN-AVEIZBFRSA-N	1	1	361.511	2.022	20	30		FEEDMO
CN(C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)CC(C)(C)C#N	ZINC000916181594	685522339	/nfs/dbraw/zinc/52/23/39/685522339.db2.gz	BEAMVCBDHWEFPS-UHFFFAOYSA-N	1	1	355.426	2.215	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC000969123557	682258480	/nfs/dbraw/zinc/25/84/80/682258480.db2.gz	LWSNVOIAZHRYHR-DMRZNYOFSA-N	1	1	367.921	2.307	20	30		FEEDMO
C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1	ZINC000971706214	682367541	/nfs/dbraw/zinc/36/75/41/682367541.db2.gz	LRUJYGKJMWXXBP-ZACQAIPSSA-N	1	1	367.921	2.453	20	30		FEEDMO
C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)C1	ZINC000971706214	682367546	/nfs/dbraw/zinc/36/75/46/682367546.db2.gz	LRUJYGKJMWXXBP-ZACQAIPSSA-N	1	1	367.921	2.453	20	30		FEEDMO
CC(C)[C@@H](CNc1cc(Br)cnc1C#N)N1CC[NH+](C)CC1	ZINC000853134278	682381033	/nfs/dbraw/zinc/38/10/33/682381033.db2.gz	PGUSVWNFGOWHGL-MRXNPFEDSA-N	1	1	366.307	2.400	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000790596591	682687166	/nfs/dbraw/zinc/68/71/66/682687166.db2.gz	GOFBJOBANUGVDU-MRXNPFEDSA-N	1	1	354.372	2.284	20	30		FEEDMO
C=CC[C@]1(C(=O)N2CC[N@H+](C)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000790677719	682694486	/nfs/dbraw/zinc/69/44/86/682694486.db2.gz	LEBTWSKNTFEDID-HNAYVOBHSA-N	1	1	351.491	2.495	20	30		FEEDMO
C=CC[C@]1(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000790677719	682694488	/nfs/dbraw/zinc/69/44/88/682694488.db2.gz	LEBTWSKNTFEDID-HNAYVOBHSA-N	1	1	351.491	2.495	20	30		FEEDMO
Cc1cc(CN=Nc2ncc(Cl)cn2)c(C)n1CC[NH+]1CCOCC1	ZINC000857222667	682866245	/nfs/dbraw/zinc/86/62/45/682866245.db2.gz	AQUQYXAWPRXGJH-UHFFFAOYSA-N	1	1	362.865	2.327	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N[C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O)OCC	ZINC000926260086	683100273	/nfs/dbraw/zinc/10/02/73/683100273.db2.gz	WRWFCIGMOOKZHC-NLPMXTIOSA-N	1	1	352.519	2.344	20	30		FEEDMO
C#CCN1CCN(C(=O)C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)CC1	ZINC000796457573	683163142	/nfs/dbraw/zinc/16/31/42/683163142.db2.gz	HFBWXPHHUNMAGZ-UHFFFAOYSA-N	1	1	357.885	2.207	20	30		FEEDMO
C#CCN1CCN(C(=O)C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)CC1	ZINC000796457573	683163148	/nfs/dbraw/zinc/16/31/48/683163148.db2.gz	HFBWXPHHUNMAGZ-UHFFFAOYSA-N	1	1	357.885	2.207	20	30		FEEDMO
N#CCn1c(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc2ccccc21	ZINC000928100842	683391771	/nfs/dbraw/zinc/39/17/71/683391771.db2.gz	UUHPSMHIBRUJRF-YJBOKZPZSA-N	1	1	354.479	2.474	20	30		FEEDMO
CCOCCOc1ccc(Br)cc1C=NN1CC[NH+](C)CC1	ZINC000921252408	683411490	/nfs/dbraw/zinc/41/14/90/683411490.db2.gz	DBPZTNXQULCZSI-UHFFFAOYSA-N	1	1	370.291	2.446	20	30		FEEDMO
COc1sc(C=NNCCC[NH+]2CCOCC2)cc1Br	ZINC000799489583	683460193	/nfs/dbraw/zinc/46/01/93/683460193.db2.gz	WRGXMKOXGAAAPO-UHFFFAOYSA-N	1	1	362.293	2.165	20	30		FEEDMO
C#CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(OC)cc2C)CC1	ZINC000921438211	683467517	/nfs/dbraw/zinc/46/75/17/683467517.db2.gz	UKJDVBSOZRLESU-UHFFFAOYSA-N	1	1	356.875	2.033	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNC(COC)COC)c1C	ZINC000863197106	683683908	/nfs/dbraw/zinc/68/39/08/683683908.db2.gz	HTZYFIUOBUZOMT-IBGZPJMESA-N	1	1	350.507	2.174	20	30		FEEDMO
N#CC[C@@H](O)C[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F	ZINC000930503134	683744407	/nfs/dbraw/zinc/74/44/07/683744407.db2.gz	LGQUXFOBDSYSLO-KGLIPLIRSA-N	1	1	350.768	2.382	20	30		FEEDMO
N#CC[C@@H](O)C[N@@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F	ZINC000930503134	683744409	/nfs/dbraw/zinc/74/44/09/683744409.db2.gz	LGQUXFOBDSYSLO-KGLIPLIRSA-N	1	1	350.768	2.382	20	30		FEEDMO
C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@@](C)(O)C(F)(F)C(F)(F)F	ZINC000930844890	683792014	/nfs/dbraw/zinc/79/20/14/683792014.db2.gz	HNJXYXPEHBRNGE-QWHCGFSZSA-N	1	1	352.303	2.472	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(OC)nc2C(F)(F)F)C1	ZINC000930897612	683798433	/nfs/dbraw/zinc/79/84/33/683798433.db2.gz	UMBFZYSYCWXLRS-NSHDSACASA-N	1	1	356.348	2.328	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OC)nc2C(F)(F)F)C1	ZINC000930897612	683798440	/nfs/dbraw/zinc/79/84/40/683798440.db2.gz	UMBFZYSYCWXLRS-NSHDSACASA-N	1	1	356.348	2.328	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1	ZINC000923560411	684306417	/nfs/dbraw/zinc/30/64/17/684306417.db2.gz	AJAXZMHVKUVWGK-LBPRGKRZSA-N	1	1	353.781	2.144	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1	ZINC000923560411	684306422	/nfs/dbraw/zinc/30/64/22/684306422.db2.gz	AJAXZMHVKUVWGK-LBPRGKRZSA-N	1	1	353.781	2.144	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C1	ZINC000923570109	684306816	/nfs/dbraw/zinc/30/68/16/684306816.db2.gz	IIOLSIHJYNQKFY-AWEZNQCLSA-N	1	1	362.861	2.261	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)C1	ZINC000923570109	684306822	/nfs/dbraw/zinc/30/68/22/684306822.db2.gz	IIOLSIHJYNQKFY-AWEZNQCLSA-N	1	1	362.861	2.261	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000872663987	685000308	/nfs/dbraw/zinc/00/03/08/685000308.db2.gz	PLMNRBCDSCAULU-LSDHHAIUSA-N	1	1	373.400	2.434	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000875622173	686050501	/nfs/dbraw/zinc/05/05/01/686050501.db2.gz	FDGUYKCPFHLPIW-OAHLLOKOSA-N	1	1	352.360	2.416	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000876719811	686252940	/nfs/dbraw/zinc/25/29/40/686252940.db2.gz	WEMOIUDNWXEEGZ-DAYGRLMNSA-N	1	1	365.905	2.382	20	30		FEEDMO
COC(=O)C1(C#N)CC[NH+](C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1	ZINC000877566620	686410327	/nfs/dbraw/zinc/41/03/27/686410327.db2.gz	KVAHGCACFSFBOL-CQSZACIVSA-N	1	1	351.447	2.165	20	30		FEEDMO
COCC#CC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1	ZINC000880024241	686977448	/nfs/dbraw/zinc/97/74/48/686977448.db2.gz	HIMCKGMYSSKEGF-OLZOCXBDSA-N	1	1	350.381	2.271	20	30		FEEDMO
COCC#CC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1	ZINC000880024241	686977453	/nfs/dbraw/zinc/97/74/53/686977453.db2.gz	HIMCKGMYSSKEGF-OLZOCXBDSA-N	1	1	350.381	2.271	20	30		FEEDMO
COC(=O)CC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000880040309	686981876	/nfs/dbraw/zinc/98/18/76/686981876.db2.gz	GQJVFQXXINOXTM-ZFWWWQNUSA-N	1	1	361.467	2.390	20	30		FEEDMO
COC(=O)CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000880040309	686981880	/nfs/dbraw/zinc/98/18/80/686981880.db2.gz	GQJVFQXXINOXTM-ZFWWWQNUSA-N	1	1	361.467	2.390	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC[C@@H](C(F)(F)F)O1	ZINC000880065221	686992076	/nfs/dbraw/zinc/99/20/76/686992076.db2.gz	RZLGYXDDEPJABV-RDBSUJKOSA-N	1	1	350.381	2.099	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CF)C2)CC1	ZINC000880237362	687021388	/nfs/dbraw/zinc/02/13/88/687021388.db2.gz	VPJKDOLWCFSNIP-JKSUJKDBSA-N	1	1	364.490	2.138	20	30		FEEDMO
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1cc(C#N)c(F)cc1F	ZINC000880712779	687077691	/nfs/dbraw/zinc/07/76/91/687077691.db2.gz	YAJQJDHEALXKBV-UHFFFAOYSA-N	1	1	352.385	2.411	20	30		FEEDMO
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1cc(C#N)c(F)cc1F	ZINC000880712779	687077692	/nfs/dbraw/zinc/07/76/92/687077692.db2.gz	YAJQJDHEALXKBV-UHFFFAOYSA-N	1	1	352.385	2.411	20	30		FEEDMO
C#CC[C@@H]1CC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2SC)C1	ZINC000886356031	688235623	/nfs/dbraw/zinc/23/56/23/688235623.db2.gz	SCKYDXKXWWCQDN-OAHLLOKOSA-N	1	1	359.495	2.151	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(c3nc(Cl)nc4nc[nH]c43)CC2)cc1	ZINC000891505017	689071064	/nfs/dbraw/zinc/07/10/64/689071064.db2.gz	DJYRMPVLBHMDIC-UHFFFAOYSA-N	1	1	353.817	2.200	20	30		FEEDMO
C#C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)c1ccc(Cl)cc1	ZINC000895684893	689754374	/nfs/dbraw/zinc/75/43/74/689754374.db2.gz	GTAAGTPSEGCHAX-BZSNNMDCSA-N	1	1	361.873	2.255	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=S)N1CCO[C@@H](c2ccc(C#N)cc2)C1	ZINC000899634923	690394138	/nfs/dbraw/zinc/39/41/38/690394138.db2.gz	CHYUERGXCCLEOO-ZWKOTPCHSA-N	1	1	358.511	2.290	20	30		FEEDMO
C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000906798113	691317610	/nfs/dbraw/zinc/31/76/10/691317610.db2.gz	NXBWHZVBEUFYBQ-GJZGRUSLSA-N	1	1	351.491	2.399	20	30		FEEDMO
C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000906798111	691317690	/nfs/dbraw/zinc/31/76/90/691317690.db2.gz	NXBWHZVBEUFYBQ-CABCVRRESA-N	1	1	351.491	2.399	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC[N@H+]1C	ZINC000906988062	691362084	/nfs/dbraw/zinc/36/20/84/691362084.db2.gz	OUOPSLGJEVVOHX-JQWIXIFHSA-N	1	1	372.288	2.082	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC000907254522	691433616	/nfs/dbraw/zinc/43/36/16/691433616.db2.gz	WCBXWAAZVXCJGV-LBPRGKRZSA-N	1	1	372.288	2.035	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3c(C#N)sc4ccccc43)CC[C@@H]21	ZINC000907319493	691451571	/nfs/dbraw/zinc/45/15/71/691451571.db2.gz	ZPRHJAPKZJIUAQ-JSGCOSHPSA-N	1	1	361.492	2.488	20	30		FEEDMO
Cc1ccc(C[N@@H+]2CC[C@H](CN(C)S(=O)(=O)CCCC#N)C2)s1	ZINC000907347926	691458985	/nfs/dbraw/zinc/45/89/85/691458985.db2.gz	XQIDMPOTYJQGDG-OAHLLOKOSA-N	1	1	355.529	2.444	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cnc(NC(=O)OC(C)(C)C)s1	ZINC000908436242	691678463	/nfs/dbraw/zinc/67/84/63/691678463.db2.gz	FPKZDAFUJCNZIQ-UHFFFAOYSA-N	1	1	352.460	2.175	20	30		FEEDMO
C=CCn1c(-c2cnsn2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000908720291	691718321	/nfs/dbraw/zinc/71/83/21/691718321.db2.gz	OZGIIVDKCVSJLR-ZDUSSCGKSA-N	1	1	359.503	2.293	20	30		FEEDMO
CSc1nc(-c2ccccc2)nc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1C#N	ZINC001164671517	719408014	/nfs/dbraw/zinc/40/80/14/719408014.db2.gz	PWRWXVSCUFWGOS-HOTGVXAUSA-N	1	1	367.478	2.256	20	30		FEEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc3c(cc1C#N)CCCC3)CC2	ZINC001164690032	719740537	/nfs/dbraw/zinc/74/05/37/719740537.db2.gz	PYIOLYAOBFVQFX-UHFFFAOYSA-N	1	1	367.497	2.013	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(Cl)nc1C#N)C2	ZINC001164812740	720085689	/nfs/dbraw/zinc/08/56/89/720085689.db2.gz	ROASWTDHFIDTJJ-KBXCAEBGSA-N	1	1	361.877	2.186	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nnc(Cl)cc1C#N)C2	ZINC001164815697	720090368	/nfs/dbraw/zinc/09/03/68/720090368.db2.gz	ZELMUHMCGNTLLB-MAUKXSAKSA-N	1	1	361.877	2.186	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164726913	720371423	/nfs/dbraw/zinc/37/14/23/720371423.db2.gz	PVTQOICXPLIRCG-IAGOWNOFSA-N	1	1	350.382	2.110	20	30		FEEDMO
N#Cc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc2ccccc12	ZINC001164746442	720759597	/nfs/dbraw/zinc/75/95/97/720759597.db2.gz	YECNTQCOEOQBAD-IAGOWNOFSA-N	1	1	372.432	2.238	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(C)c(C#N)cc3Cl)CC[C@@H]2C1	ZINC001164852921	720889495	/nfs/dbraw/zinc/88/94/95/720889495.db2.gz	AJPXSSOZMAHSMO-RHSMWYFYSA-N	1	1	364.877	2.089	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc3c(C#N)c[nH]c3n1)[C@H]2C	ZINC001164859879	720986037	/nfs/dbraw/zinc/98/60/37/720986037.db2.gz	MXGLVJVGWSZODW-ZDUSSCGKSA-N	1	1	364.457	2.447	20	30		FEEDMO
Cc1nc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C#N	ZINC001164771361	721138519	/nfs/dbraw/zinc/13/85/19/721138519.db2.gz	SGXOSKOJZPOGRO-LSDHHAIUSA-N	1	1	371.876	2.002	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(Cl)cc4C#N)C[C@@H]3C2)cn1	ZINC001164766853	721176850	/nfs/dbraw/zinc/17/68/50/721176850.db2.gz	JHOUGPAKOSHTJO-ZBFHGGJFSA-N	1	1	356.861	2.298	20	30		FEEDMO
Cc1ncc(C#N)c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164911915	721526290	/nfs/dbraw/zinc/52/62/90/721526290.db2.gz	XLWPCMKRCQUQPU-SJLPKXTDSA-N	1	1	353.401	2.138	20	30		FEEDMO
Cc1nc(C#N)cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164908695	721566045	/nfs/dbraw/zinc/56/60/45/721566045.db2.gz	RSGYJWDXFRNHDH-FUHWJXTLSA-N	1	1	353.401	2.138	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2F)[C@@H]2CCCO[C@H]12	ZINC001164809368	721568286	/nfs/dbraw/zinc/56/82/86/721568286.db2.gz	WPBDEDVNHIFLHV-QRVBRYPASA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(C#N)cc2F)[C@@H]2CCCO[C@H]12	ZINC001164809368	721568288	/nfs/dbraw/zinc/56/82/88/721568288.db2.gz	WPBDEDVNHIFLHV-QRVBRYPASA-N	1	1	367.428	2.356	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)c(Cl)cc1C#N	ZINC001164928663	721863806	/nfs/dbraw/zinc/86/38/06/721863806.db2.gz	ZTSNAGLAAKFIDZ-UONOGXRCSA-N	1	1	354.285	2.475	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)c(Cl)cc1C#N	ZINC001164928663	721863807	/nfs/dbraw/zinc/86/38/07/721863807.db2.gz	ZTSNAGLAAKFIDZ-UONOGXRCSA-N	1	1	354.285	2.475	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1	ZINC000015043271	539611005	/nfs/dbraw/zinc/61/10/05/539611005.db2.gz	DWRJWWODPIMVQK-HXUWFJFHSA-N	1	1	372.469	2.097	20	30		FEEDMO
COc1ccccc1[C@H](CNC(=O)COc1ccccc1C#N)[NH+](C)C	ZINC000023691872	539718140	/nfs/dbraw/zinc/71/81/40/539718140.db2.gz	DPTKQLGAEDPLKW-KRWDZBQOSA-N	1	1	353.422	2.365	20	30		FEEDMO
CNC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1	ZINC000029930059	539869009	/nfs/dbraw/zinc/86/90/09/539869009.db2.gz	VNSKXQKFFLIYMI-OAHLLOKOSA-N	1	1	356.470	2.209	20	30		FEEDMO
CNC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1	ZINC000029930059	539869013	/nfs/dbraw/zinc/86/90/13/539869013.db2.gz	VNSKXQKFFLIYMI-OAHLLOKOSA-N	1	1	356.470	2.209	20	30		FEEDMO
CCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000030969149	539895199	/nfs/dbraw/zinc/89/51/99/539895199.db2.gz	RDCRNSTUUFSMSC-KXBFYZLASA-N	1	1	350.507	2.058	20	30		FEEDMO
CCOC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1	ZINC000031558028	539910299	/nfs/dbraw/zinc/91/02/99/539910299.db2.gz	XSNHIFIUDWSVQS-UHFFFAOYSA-N	1	1	350.422	2.452	20	30		FEEDMO
CN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)C1(C#N)CCCCC1	ZINC000032830856	539955339	/nfs/dbraw/zinc/95/53/39/539955339.db2.gz	CNCUZYCPIDEHJX-UHFFFAOYSA-N	1	1	354.498	2.489	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000046086812	540241795	/nfs/dbraw/zinc/24/17/95/540241795.db2.gz	RYMYVBNSXLWUKE-FQEVSTJZSA-N	1	1	353.470	2.125	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000046086812	540241799	/nfs/dbraw/zinc/24/17/99/540241799.db2.gz	RYMYVBNSXLWUKE-FQEVSTJZSA-N	1	1	353.470	2.125	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)N[C@H](C)c2ccc(C#N)cc2)CC1	ZINC000046754015	540269548	/nfs/dbraw/zinc/26/95/48/540269548.db2.gz	RMQVKIQNIFIWSL-QGZVFWFLSA-N	1	1	357.502	2.336	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000048767301	540373162	/nfs/dbraw/zinc/37/31/62/540373162.db2.gz	RENBBXPXDJDTMN-KRWDZBQOSA-N	1	1	351.406	2.153	20	30		FEEDMO
Cc1ccc(C(=O)NC2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)s1	ZINC000051098664	540422346	/nfs/dbraw/zinc/42/23/46/540422346.db2.gz	YLYUFFOYDVGMHF-CQSZACIVSA-N	1	1	362.499	2.011	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C3CCCC3)CC2)o1	ZINC000055927420	540687997	/nfs/dbraw/zinc/68/79/97/540687997.db2.gz	KUYCTOCGETXDSQ-GOSISDBHSA-N	1	1	371.485	2.158	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1	ZINC000065963977	541274883	/nfs/dbraw/zinc/27/48/83/541274883.db2.gz	KIOIXQJEDZIKOD-HXUWFJFHSA-N	1	1	362.518	2.202	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)CCCCC1	ZINC000065963935	541275424	/nfs/dbraw/zinc/27/54/24/541275424.db2.gz	XDACKWWEBIEYML-UHFFFAOYSA-N	1	1	374.529	2.490	20	30		FEEDMO
CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437581	541318555	/nfs/dbraw/zinc/31/85/55/541318555.db2.gz	HJWDXTAEESKVBE-IBGZPJMESA-N	1	1	363.465	2.295	20	30		FEEDMO
CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437581	541318558	/nfs/dbraw/zinc/31/85/58/541318558.db2.gz	HJWDXTAEESKVBE-IBGZPJMESA-N	1	1	363.465	2.295	20	30		FEEDMO
C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)Cc2cccc(C#N)c2)C1	ZINC000067405259	541459312	/nfs/dbraw/zinc/45/93/12/541459312.db2.gz	VJTHXJDRIVCDBJ-SFHVURJKSA-N	1	1	355.463	2.381	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1	ZINC000067525490	541474821	/nfs/dbraw/zinc/47/48/21/541474821.db2.gz	NHOWUDISIOVTLQ-QZTJIDSGSA-N	1	1	357.454	2.323	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)[C@H]2C1	ZINC000542839635	541484454	/nfs/dbraw/zinc/48/44/54/541484454.db2.gz	IQTSYVBHWZPNDX-GUYCJALGSA-N	1	1	368.416	2.441	20	30		FEEDMO
Cc1nn2cccnc2c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000098097367	209206686	/nfs/dbraw/zinc/20/66/86/209206686.db2.gz	HHXCIZNTZNGUFD-UHFFFAOYSA-N	1	1	374.448	2.258	20	30		FEEDMO
Cc1nn2cccnc2c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000098097367	209206690	/nfs/dbraw/zinc/20/66/90/209206690.db2.gz	HHXCIZNTZNGUFD-UHFFFAOYSA-N	1	1	374.448	2.258	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000069156549	541663958	/nfs/dbraw/zinc/66/39/58/541663958.db2.gz	ASHFTUVTDFMWGO-UHFFFAOYSA-N	1	1	356.470	2.268	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCN(C(=O)C(C)C)CC1	ZINC000069609060	541700622	/nfs/dbraw/zinc/70/06/22/541700622.db2.gz	QNOAFRPZEJPSBM-LJQANCHMSA-N	1	1	360.498	2.345	20	30		FEEDMO
CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1	ZINC000069988766	541730073	/nfs/dbraw/zinc/73/00/73/541730073.db2.gz	LIXVKXNSLOVRPE-UHFFFAOYSA-N	1	1	372.469	2.250	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)N1CCCN(c2ccccc2C#N)CC1	ZINC000074494197	542089834	/nfs/dbraw/zinc/08/98/34/542089834.db2.gz	BKIGFOQDRRTHLP-SFHVURJKSA-N	1	1	355.486	2.264	20	30		FEEDMO
C[C@H](NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1cccc(C#N)c1	ZINC000074918306	542135881	/nfs/dbraw/zinc/13/58/81/542135881.db2.gz	MTGGVTZMRNHAOR-PXNSSMCTSA-N	1	1	369.513	2.431	20	30		FEEDMO
CCN1CC[NH+](CCC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1	ZINC000075536209	542186436	/nfs/dbraw/zinc/18/64/36/542186436.db2.gz	AJARLTZONXQSRU-UXHICEINSA-N	1	1	354.498	2.312	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1	ZINC000076911745	542329963	/nfs/dbraw/zinc/32/99/63/542329963.db2.gz	AKKKMQOALFHCSX-GOSISDBHSA-N	1	1	371.485	2.425	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1	ZINC000076911745	542329965	/nfs/dbraw/zinc/32/99/65/542329965.db2.gz	AKKKMQOALFHCSX-GOSISDBHSA-N	1	1	371.485	2.425	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH+]1CCN(c2ccc(O)cc2)CC1	ZINC000077247065	542358932	/nfs/dbraw/zinc/35/89/32/542358932.db2.gz	QHEJOEWGWZCKBS-UHFFFAOYSA-N	1	1	353.422	2.473	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(NC(N)=O)CC2)c1	ZINC000079466750	542520557	/nfs/dbraw/zinc/52/05/57/542520557.db2.gz	VIIIKDIOWNRAFI-INIZCTEOSA-N	1	1	371.485	2.071	20	30		FEEDMO
C=CCOCCCC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000079755764	542540733	/nfs/dbraw/zinc/54/07/33/542540733.db2.gz	ATSGBXLSGLAMIX-UHFFFAOYSA-N	1	1	373.497	2.315	20	30		FEEDMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3(C#N)CCCC3)cc2)CC1	ZINC000079755927	542540833	/nfs/dbraw/zinc/54/08/33/542540833.db2.gz	GZGRUSQROAZPTI-UHFFFAOYSA-N	1	1	368.481	2.416	20	30		FEEDMO
CC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1cccc(F)c1	ZINC000091536965	542811895	/nfs/dbraw/zinc/81/18/95/542811895.db2.gz	LNBYRWMPWQVPMQ-IBGZPJMESA-N	1	1	360.477	2.340	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1cccc(F)c1	ZINC000091536965	542811897	/nfs/dbraw/zinc/81/18/97/542811897.db2.gz	LNBYRWMPWQVPMQ-IBGZPJMESA-N	1	1	360.477	2.340	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3ccccc3[C@@H]2C)CC1	ZINC000091558598	542812669	/nfs/dbraw/zinc/81/26/69/542812669.db2.gz	UXGAMKPEFQFXPJ-PXNSSMCTSA-N	1	1	354.498	2.298	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](C(N)=O)O1	ZINC000092007641	542836622	/nfs/dbraw/zinc/83/66/22/542836622.db2.gz	QXFOJSDGUPJGQU-QRWLVFNGSA-N	1	1	365.433	2.212	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](C(N)=O)O1	ZINC000092007641	542836624	/nfs/dbraw/zinc/83/66/24/542836624.db2.gz	QXFOJSDGUPJGQU-QRWLVFNGSA-N	1	1	365.433	2.212	20	30		FEEDMO
C[N@@H+](CC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1CCSC1	ZINC000092034869	542839108	/nfs/dbraw/zinc/83/91/08/542839108.db2.gz	SWMUOKMFJVLFBA-AQFXKWCLSA-N	1	1	374.510	2.197	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](Oc2ccc(Cl)cn2)C1	ZINC000092806328	542887956	/nfs/dbraw/zinc/88/79/56/542887956.db2.gz	QPSDBRXLRWSIQP-HNNXBMFYSA-N	1	1	350.850	2.340	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2c1	ZINC000093534373	542934047	/nfs/dbraw/zinc/93/40/47/542934047.db2.gz	NVNFNFHHUOMCFC-CQSZACIVSA-N	1	1	363.381	2.196	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)n2c1	ZINC000093534373	542934050	/nfs/dbraw/zinc/93/40/50/542934050.db2.gz	NVNFNFHHUOMCFC-CQSZACIVSA-N	1	1	363.381	2.196	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000104138179	543124297	/nfs/dbraw/zinc/12/42/97/543124297.db2.gz	IWGHOVHDDFROSS-HXUWFJFHSA-N	1	1	354.498	2.467	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)C[C@H](C)O1	ZINC000104714428	543138309	/nfs/dbraw/zinc/13/83/09/543138309.db2.gz	AOPMDVQSVINAMJ-IYBDPMFKSA-N	1	1	357.454	2.037	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N	ZINC000108278041	543284839	/nfs/dbraw/zinc/28/48/39/543284839.db2.gz	KHWSIIZXPXRKJK-CQSZACIVSA-N	1	1	374.510	2.393	20	30		FEEDMO
C[C@@H](O)C1CC[NH+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000111286340	543393028	/nfs/dbraw/zinc/39/30/28/543393028.db2.gz	ALPRUIYCIQWITE-CQSZACIVSA-N	1	1	368.399	2.266	20	30		FEEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@@H+]1CCOC	ZINC000111865097	543421879	/nfs/dbraw/zinc/42/18/79/543421879.db2.gz	ZZJMWJAYEKBFDF-LJQANCHMSA-N	1	1	356.470	2.367	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1	ZINC000111882209	543422301	/nfs/dbraw/zinc/42/23/01/543422301.db2.gz	YZONBTGVCFXSQD-XVLXNVKGSA-N	1	1	354.454	2.116	20	30		FEEDMO
C=CCNC(=O)c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nc1	ZINC000112513074	543450260	/nfs/dbraw/zinc/45/02/60/543450260.db2.gz	ZAIOZGKBYWHDKZ-UHFFFAOYSA-N	1	1	366.465	2.198	20	30		FEEDMO
C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCN1CCCC1=O	ZINC000112703773	543458705	/nfs/dbraw/zinc/45/87/05/543458705.db2.gz	CKCKAJAKJZZVSQ-UHFFFAOYSA-N	1	1	374.510	2.381	20	30		FEEDMO
CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)CS(=O)(=O)CC	ZINC000113001192	543472471	/nfs/dbraw/zinc/47/24/71/543472471.db2.gz	MJULIPSLBQCHJV-CQSZACIVSA-N	1	1	351.472	2.032	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)CS(=O)(=O)CC	ZINC000113001192	543472473	/nfs/dbraw/zinc/47/24/73/543472473.db2.gz	MJULIPSLBQCHJV-CQSZACIVSA-N	1	1	351.472	2.032	20	30		FEEDMO
C#CCOc1ccc(C[NH2+]Cc2cccnc2N2CCN(C)CC2)cc1	ZINC000113329306	543484570	/nfs/dbraw/zinc/48/45/70/543484570.db2.gz	YLEANTJNLMEMPE-UHFFFAOYSA-N	1	1	350.466	2.135	20	30		FEEDMO
N#Cc1ccc([C@H](NCC2([NH+]3CCSCC3)CCCC2)C(N)=O)cc1	ZINC000115596896	543577095	/nfs/dbraw/zinc/57/70/95/543577095.db2.gz	FLMPCFJJZOQILM-KRWDZBQOSA-N	1	1	358.511	2.036	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@@H](C)C1	ZINC000247469099	549338811	/nfs/dbraw/zinc/33/88/11/549338811.db2.gz	RROQHEKLSZVDFB-KSSFIOAISA-N	1	1	366.469	2.128	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000118122950	543646633	/nfs/dbraw/zinc/64/66/33/543646633.db2.gz	RVRKDZDDRZLOHZ-AWEZNQCLSA-N	1	1	362.499	2.333	20	30		FEEDMO
C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)COC1CCOCC1	ZINC000119082278	543663224	/nfs/dbraw/zinc/66/32/24/543663224.db2.gz	MQDMTZZRXRMKOE-KRWDZBQOSA-N	1	1	350.415	2.139	20	30		FEEDMO
COCCCOC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1	ZINC000122754419	543721988	/nfs/dbraw/zinc/72/19/88/543721988.db2.gz	MUJHTSAYPXQYSR-UHFFFAOYSA-N	1	1	351.491	2.189	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](Cc2nccn2C)C1	ZINC000123810609	543784167	/nfs/dbraw/zinc/78/41/67/543784167.db2.gz	GKKIFKIAGQWFQX-DLBZAZTESA-N	1	1	357.502	2.406	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1	ZINC000123377063	543758158	/nfs/dbraw/zinc/75/81/58/543758158.db2.gz	IMMHAIUBBZUZGE-KRWDZBQOSA-N	1	1	373.476	2.261	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1C(F)(F)F	ZINC000124616897	543833189	/nfs/dbraw/zinc/83/31/89/543833189.db2.gz	QXHAYHUSZVQPKZ-TXEJJXNPSA-N	1	1	359.373	2.092	20	30		FEEDMO
CCC[C@H]1CN(C(=O)Cc2ccc(OCC#N)cc2)CC[N@H+]1CCOC	ZINC000128412144	544050897	/nfs/dbraw/zinc/05/08/97/544050897.db2.gz	CHJYROCXLJXGAB-SFHVURJKSA-N	1	1	359.470	2.091	20	30		FEEDMO
CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000130456615	544151367	/nfs/dbraw/zinc/15/13/67/544151367.db2.gz	PNRKFTOJJKRGMJ-ZEVUXNIQSA-N	1	1	362.518	2.296	20	30		FEEDMO
CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000130456615	544151369	/nfs/dbraw/zinc/15/13/69/544151369.db2.gz	PNRKFTOJJKRGMJ-ZEVUXNIQSA-N	1	1	362.518	2.296	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(Cc2cscn2)CC1	ZINC000138930937	544398577	/nfs/dbraw/zinc/39/85/77/544398577.db2.gz	DYFOLCJORWDYQC-UHFFFAOYSA-N	1	1	361.496	2.223	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1	ZINC000152168139	544621364	/nfs/dbraw/zinc/62/13/64/544621364.db2.gz	AFRBAQNFTICGJY-FRIZHTMISA-N	1	1	358.490	2.304	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1	ZINC000152168139	544621369	/nfs/dbraw/zinc/62/13/69/544621369.db2.gz	AFRBAQNFTICGJY-FRIZHTMISA-N	1	1	358.490	2.304	20	30		FEEDMO
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[C@H]1C[N@H+](C)CCO1	ZINC000152653940	544679417	/nfs/dbraw/zinc/67/94/17/544679417.db2.gz	XAVZCAFAYMQFGR-GDAAHCPNSA-N	1	1	356.470	2.187	20	30		FEEDMO
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[C@H]1C[N@@H+](C)CCO1	ZINC000152653940	544679421	/nfs/dbraw/zinc/67/94/21/544679421.db2.gz	XAVZCAFAYMQFGR-GDAAHCPNSA-N	1	1	356.470	2.187	20	30		FEEDMO
C[N@@H+](CCNC(=O)C1CCN(C(=O)C(C)(C)C#N)CC1)Cc1ccccc1	ZINC000152820580	544700008	/nfs/dbraw/zinc/70/00/08/544700008.db2.gz	FAFQDFNCBBQTMA-UHFFFAOYSA-N	1	1	370.497	2.023	20	30		FEEDMO
CCC[C@H](NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000153311318	544759338	/nfs/dbraw/zinc/75/93/38/544759338.db2.gz	KMMLBKRHHSLXKX-KRWDZBQOSA-N	1	1	368.485	2.386	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCOc2cccc(C#N)c2)CC1	ZINC000153916468	544840008	/nfs/dbraw/zinc/84/00/08/544840008.db2.gz	RZXDXFGYYRDNGD-KDURUIRLSA-N	1	1	356.514	2.427	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000154323214	544891243	/nfs/dbraw/zinc/89/12/43/544891243.db2.gz	TVMFFVRMFQAIAB-TZIWHRDSSA-N	1	1	363.461	2.480	20	30		FEEDMO
CNC(=O)CCC[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000154716205	544940555	/nfs/dbraw/zinc/94/05/55/544940555.db2.gz	UDBHJVMCFRXXFZ-UHFFFAOYSA-N	1	1	350.850	2.045	20	30		FEEDMO
CNC(=O)CCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000154852837	544957610	/nfs/dbraw/zinc/95/76/10/544957610.db2.gz	XDSDXYKJEBPFLD-QGZVFWFLSA-N	1	1	358.486	2.397	20	30		FEEDMO
C=CCSCCNC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1	ZINC000552503267	674212408	/nfs/dbraw/zinc/21/24/08/674212408.db2.gz	QTGNOMBUGWPCIT-DLBZAZTESA-N	1	1	367.559	2.135	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCCCC#N)[C@H]1c1cccs1	ZINC000553271991	674250017	/nfs/dbraw/zinc/25/00/17/674250017.db2.gz	LPIZZXIHQKYMIW-HOCLYGCPSA-N	1	1	362.499	2.057	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCCCC#N)[C@H]1c1cccs1	ZINC000553271992	674250069	/nfs/dbraw/zinc/25/00/69/674250069.db2.gz	LPIZZXIHQKYMIW-ZBFHGGJFSA-N	1	1	362.499	2.057	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000187671442	328038678	/nfs/dbraw/zinc/03/86/78/328038678.db2.gz	RTRUSCREVMCRLY-HNNXBMFYSA-N	1	1	357.454	2.353	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000187671442	328038679	/nfs/dbraw/zinc/03/86/79/328038679.db2.gz	RTRUSCREVMCRLY-HNNXBMFYSA-N	1	1	357.454	2.353	20	30		FEEDMO
Cn1cc([C@H]2CSCC[N@@H+]2CCC(=O)Nc2sccc2C#N)cn1	ZINC000191195986	328253602	/nfs/dbraw/zinc/25/36/02/328253602.db2.gz	MNUKDBJOKAWRQW-CQSZACIVSA-N	1	1	361.496	2.472	20	30		FEEDMO
Cn1cc([C@H]2CSCC[N@H+]2CCC(=O)Nc2sccc2C#N)cn1	ZINC000191195986	328253603	/nfs/dbraw/zinc/25/36/03/328253603.db2.gz	MNUKDBJOKAWRQW-CQSZACIVSA-N	1	1	361.496	2.472	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000193055184	328354328	/nfs/dbraw/zinc/35/43/28/328354328.db2.gz	OAGSVUHNYYFJHX-OAHLLOKOSA-N	1	1	373.501	2.244	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000192972572	328349924	/nfs/dbraw/zinc/34/99/24/328349924.db2.gz	FHLUODKCQYTSNI-OAHLLOKOSA-N	1	1	359.474	2.044	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)NC1CC1	ZINC000007926400	324359087	/nfs/dbraw/zinc/35/90/87/324359087.db2.gz	UJPQHGYFSCUGFJ-UHFFFAOYSA-N	1	1	360.483	2.038	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2cc(C#N)ccc2C)cn1	ZINC000057675167	324829975	/nfs/dbraw/zinc/82/99/75/324829975.db2.gz	AHWWVBGPSLJTRY-UHFFFAOYSA-N	1	1	374.404	2.011	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](CCO)C(C)C)c1C#N	ZINC000078688439	325058694	/nfs/dbraw/zinc/05/86/94/325058694.db2.gz	BOCMSWLYYADXLV-UHFFFAOYSA-N	1	1	358.442	2.259	20	30		FEEDMO
COC(=O)[C@@H](NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(C#N)c1	ZINC000083022671	325210472	/nfs/dbraw/zinc/21/04/72/325210472.db2.gz	PONXIMSIAAVJLO-IBGZPJMESA-N	1	1	371.481	2.397	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1csc(-c2ccccn2)n1	ZINC000089943679	325344023	/nfs/dbraw/zinc/34/40/23/325344023.db2.gz	KUVBNJQMSIYNLS-UHFFFAOYSA-N	1	1	353.455	2.447	20	30		FEEDMO
CCOCC[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000111751268	325732916	/nfs/dbraw/zinc/73/29/16/325732916.db2.gz	VWFDQBRZKVWDNA-UHFFFAOYSA-N	1	1	368.384	2.346	20	30		FEEDMO
N#Cc1ccc(CC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1	ZINC000116454016	326016230	/nfs/dbraw/zinc/01/62/30/326016230.db2.gz	NFANDCCHQWIHMJ-LJQANCHMSA-N	1	1	362.433	2.189	20	30		FEEDMO
N#Cc1ccc(CC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1	ZINC000116454016	326016234	/nfs/dbraw/zinc/01/62/34/326016234.db2.gz	NFANDCCHQWIHMJ-LJQANCHMSA-N	1	1	362.433	2.189	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3C(C)C)CC2)o1	ZINC000117347488	326058240	/nfs/dbraw/zinc/05/82/40/326058240.db2.gz	NTALZUZSHIPOEJ-QGZVFWFLSA-N	1	1	359.474	2.014	20	30		FEEDMO
CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1	ZINC000118109543	326082287	/nfs/dbraw/zinc/08/22/87/326082287.db2.gz	QASGLADOASAGHT-UHFFFAOYSA-N	1	1	366.421	2.357	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)c1	ZINC000120385472	326254325	/nfs/dbraw/zinc/25/43/25/326254325.db2.gz	FIZWRDLXEIPPQZ-UHFFFAOYSA-N	1	1	357.435	2.191	20	30		FEEDMO
CCC[C@@H]1CN(CCC(=O)Nc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000121969736	326378961	/nfs/dbraw/zinc/37/89/61/326378961.db2.gz	KRIBKPYHHLXWBZ-LJQANCHMSA-N	1	1	358.486	2.320	20	30		FEEDMO
CCC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1CCOC	ZINC000121969736	326378962	/nfs/dbraw/zinc/37/89/62/326378962.db2.gz	KRIBKPYHHLXWBZ-LJQANCHMSA-N	1	1	358.486	2.320	20	30		FEEDMO
CCC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1CCOC	ZINC000121969736	326378963	/nfs/dbraw/zinc/37/89/63/326378963.db2.gz	KRIBKPYHHLXWBZ-LJQANCHMSA-N	1	1	358.486	2.320	20	30		FEEDMO
CCOc1cccc(N2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000127495476	326507596	/nfs/dbraw/zinc/50/75/96/326507596.db2.gz	XUUUYMMGNAVOQB-GOSISDBHSA-N	1	1	352.438	2.208	20	30		FEEDMO
CC(C)(C)CC[NH+]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1	ZINC000128527712	326525240	/nfs/dbraw/zinc/52/52/40/326525240.db2.gz	YYDGLCNWPSJQTN-UHFFFAOYSA-N	1	1	363.527	2.386	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1	ZINC000163931796	327061756	/nfs/dbraw/zinc/06/17/56/327061756.db2.gz	KXDRAVCJEZICPV-KRWDZBQOSA-N	1	1	365.474	2.381	20	30		FEEDMO
CC(C)(CNS(=O)(=O)c1ccc(C#N)nc1)[N@@H+]1CCc2ccccc2C1	ZINC000170659377	327091844	/nfs/dbraw/zinc/09/18/44/327091844.db2.gz	GMIPYNNZNQXFIM-UHFFFAOYSA-N	1	1	370.478	2.068	20	30		FEEDMO
CC(C)(CNS(=O)(=O)c1ccc(C#N)nc1)[N@H+]1CCc2ccccc2C1	ZINC000170659377	327091846	/nfs/dbraw/zinc/09/18/46/327091846.db2.gz	GMIPYNNZNQXFIM-UHFFFAOYSA-N	1	1	370.478	2.068	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000173568378	327267457	/nfs/dbraw/zinc/26/74/57/327267457.db2.gz	ZPZGXWJQXAJXHK-KRWDZBQOSA-N	1	1	354.454	2.186	20	30		FEEDMO
CC[C@@]1(C)CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000173779406	327283634	/nfs/dbraw/zinc/28/36/34/327283634.db2.gz	VLVXKQCHMQARMO-IBGZPJMESA-N	1	1	359.474	2.015	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1C#N	ZINC000174856483	327355232	/nfs/dbraw/zinc/35/52/32/327355232.db2.gz	KMQWPUZFBKSXMO-MRXNPFEDSA-N	1	1	364.449	2.442	20	30		FEEDMO
N#Cc1c[nH]c(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)c1	ZINC000175481907	327395291	/nfs/dbraw/zinc/39/52/91/327395291.db2.gz	YHNXIZJNJBGNFE-UHFFFAOYSA-N	1	1	363.421	2.426	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1	ZINC000264339646	329011996	/nfs/dbraw/zinc/01/19/96/329011996.db2.gz	ZCEUTKGBBZFHRR-UHFFFAOYSA-N	1	1	353.426	2.316	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1	ZINC000264796343	329061680	/nfs/dbraw/zinc/06/16/80/329061680.db2.gz	VOOPABGKMJZVJE-GOSISDBHSA-N	1	1	364.449	2.326	20	30		FEEDMO
COC(=O)[C@@H]1CC12CC[NH+](Cc1nnc(-c3ccc(C#N)cc3)o1)CC2	ZINC000266508529	329230979	/nfs/dbraw/zinc/23/09/79/329230979.db2.gz	CNZCZPOBYVBVKS-HNNXBMFYSA-N	1	1	352.394	2.383	20	30		FEEDMO
Cn1cccc1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000266588632	329239250	/nfs/dbraw/zinc/23/92/50/329239250.db2.gz	WWNKSFDVUKCTMQ-UHFFFAOYSA-N	1	1	351.454	2.314	20	30		FEEDMO
N#Cc1ccnc(N2CC[NH+](CCC(=O)OCc3ccccc3)CC2)c1	ZINC000272054063	329748427	/nfs/dbraw/zinc/74/84/27/329748427.db2.gz	VAJKYFCJNOQBDR-UHFFFAOYSA-N	1	1	350.422	2.209	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1	ZINC000367196505	330228608	/nfs/dbraw/zinc/22/86/08/330228608.db2.gz	SXIXXVLGTVNEKC-UHFFFAOYSA-N	1	1	366.421	2.490	20	30		FEEDMO
C[C@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCOCC1	ZINC000416697187	330261537	/nfs/dbraw/zinc/26/15/37/330261537.db2.gz	VJCPEMDZPUEVJX-DNVCBOLYSA-N	1	1	356.470	2.203	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1F	ZINC000805074400	674317057	/nfs/dbraw/zinc/31/70/57/674317057.db2.gz	JIQVQNXJSZTKQV-ZQIUZPCESA-N	1	1	365.836	2.316	20	30		FEEDMO
Cc1nsc(N2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)c1C#N	ZINC000554954548	674343167	/nfs/dbraw/zinc/34/31/67/674343167.db2.gz	UTOIDIUUOLAKKO-KRWDZBQOSA-N	1	1	356.495	2.439	20	30		FEEDMO
CNC(=O)OC[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N	ZINC000805825398	674355794	/nfs/dbraw/zinc/35/57/94/674355794.db2.gz	SZYJFKPSEIZDMF-CYBMUJFWSA-N	1	1	350.444	2.159	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)C[C@@H](O)C2CC2)c1C#N	ZINC000156610341	545639815	/nfs/dbraw/zinc/63/98/15/545639815.db2.gz	WNNUNUSFZWNOBR-GOSISDBHSA-N	1	1	370.453	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C[C@@H](O)C2CC2)c1C#N	ZINC000156610341	545639819	/nfs/dbraw/zinc/63/98/19/545639819.db2.gz	WNNUNUSFZWNOBR-GOSISDBHSA-N	1	1	370.453	2.259	20	30		FEEDMO
CC(C)(C#N)CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000157483110	545746569	/nfs/dbraw/zinc/74/65/69/545746569.db2.gz	RWTNCRIIDMETCM-UHFFFAOYSA-N	1	1	353.463	2.462	20	30		FEEDMO
CC(C)(C#N)CC[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000157483110	545746571	/nfs/dbraw/zinc/74/65/71/545746571.db2.gz	RWTNCRIIDMETCM-UHFFFAOYSA-N	1	1	353.463	2.462	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1C#N	ZINC000157779339	545782511	/nfs/dbraw/zinc/78/25/11/545782511.db2.gz	ZHWCKJHNPRHTKQ-HNNXBMFYSA-N	1	1	360.458	2.435	20	30		FEEDMO
C[C@H]1C[C@H](N(C)S(=O)(=O)N(C)CCC#N)CC[N@H+]1Cc1ccccc1	ZINC000160003490	545999964	/nfs/dbraw/zinc/99/99/64/545999964.db2.gz	SAVRIAWBNAVQCG-FUHWJXTLSA-N	1	1	364.515	2.062	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1	ZINC000160628187	546058102	/nfs/dbraw/zinc/05/81/02/546058102.db2.gz	BWXXUKOTZGDTIP-SYPCGMHJSA-N	1	1	367.449	2.032	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](C)CC1	ZINC000162002043	546136150	/nfs/dbraw/zinc/13/61/50/546136150.db2.gz	AKUWJZRUUSOBFU-AWEZNQCLSA-N	1	1	360.483	2.183	20	30		FEEDMO
C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C)C[NH+]1CCOCC1	ZINC000163331360	546144231	/nfs/dbraw/zinc/14/42/31/546144231.db2.gz	IZVZQWLMJMNQEC-QGZVFWFLSA-N	1	1	356.470	2.224	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(NC(=O)c2ccoc2)CC1	ZINC000166383682	546156431	/nfs/dbraw/zinc/15/64/31/546156431.db2.gz	DGBGSJYGHMVPNL-OAHLLOKOSA-N	1	1	372.469	2.205	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000171060701	546188274	/nfs/dbraw/zinc/18/82/74/546188274.db2.gz	MBANAJYBDYJVJJ-KRWDZBQOSA-N	1	1	357.454	2.435	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000171060701	546188277	/nfs/dbraw/zinc/18/82/77/546188277.db2.gz	MBANAJYBDYJVJJ-KRWDZBQOSA-N	1	1	357.454	2.435	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1	ZINC000172840533	546268508	/nfs/dbraw/zinc/26/85/08/546268508.db2.gz	ZJDRGGYJRPKFHR-FQEVSTJZSA-N	1	1	365.433	2.106	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1	ZINC000172840533	546268513	/nfs/dbraw/zinc/26/85/13/546268513.db2.gz	ZJDRGGYJRPKFHR-FQEVSTJZSA-N	1	1	365.433	2.106	20	30		FEEDMO
C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCO[C@@H](C#N)C1	ZINC000175454685	546311665	/nfs/dbraw/zinc/31/16/65/546311665.db2.gz	BTKISHALFRJOAJ-IBGZPJMESA-N	1	1	368.437	2.346	20	30		FEEDMO
C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)N1CCO[C@@H](C#N)C1	ZINC000175454685	546311669	/nfs/dbraw/zinc/31/16/69/546311669.db2.gz	BTKISHALFRJOAJ-IBGZPJMESA-N	1	1	368.437	2.346	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)CC1	ZINC000179344200	546935650	/nfs/dbraw/zinc/93/56/50/546935650.db2.gz	DRZRMGYHUKMABG-UHFFFAOYSA-N	1	1	350.484	2.087	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)c2ccc(CC)c(S(C)(=O)=O)c2)CC1	ZINC000179753672	547008595	/nfs/dbraw/zinc/00/85/95/547008595.db2.gz	WXJUJXZMDQMGBG-UHFFFAOYSA-N	1	1	350.484	2.033	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(C3(C#N)CC3)cc2)CC1	ZINC000180396331	547100748	/nfs/dbraw/zinc/10/07/48/547100748.db2.gz	PAUMEUAHJNBFSI-QGZVFWFLSA-N	1	1	354.498	2.245	20	30		FEEDMO
C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](CC(N)=O)c1ccccc1	ZINC000483098045	561267174	/nfs/dbraw/zinc/26/71/74/561267174.db2.gz	BUYJNWMPWODQML-LJQANCHMSA-N	1	1	364.449	2.482	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@H](CC(N)=O)c1ccccc1	ZINC000483098045	561267175	/nfs/dbraw/zinc/26/71/75/561267175.db2.gz	BUYJNWMPWODQML-LJQANCHMSA-N	1	1	364.449	2.482	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1	ZINC000483148904	561268931	/nfs/dbraw/zinc/26/89/31/561268931.db2.gz	DOWQYINOUBPPMT-SBHAEUEKSA-N	1	1	361.482	2.425	20	30		FEEDMO
CCc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc(=O)[nH]1	ZINC000181200437	547269898	/nfs/dbraw/zinc/26/98/98/547269898.db2.gz	ONYLNBFXRXPKKR-UHFFFAOYSA-N	1	1	364.449	2.157	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@](C)(C(N)=O)C1	ZINC000483280064	561272674	/nfs/dbraw/zinc/27/26/74/561272674.db2.gz	SNRGEFUPWBEDLO-ACJLOTCBSA-N	1	1	360.483	2.074	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@](C)(C(N)=O)C1	ZINC000483280064	561272675	/nfs/dbraw/zinc/27/26/75/561272675.db2.gz	SNRGEFUPWBEDLO-ACJLOTCBSA-N	1	1	360.483	2.074	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1	ZINC000483369675	561275118	/nfs/dbraw/zinc/27/51/18/561275118.db2.gz	DWBWIURBXNSWTN-FBBABVLZSA-N	1	1	361.482	2.425	20	30		FEEDMO
CC1=C(C)C[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1	ZINC000483378526	561275235	/nfs/dbraw/zinc/27/52/35/561275235.db2.gz	RGFMDQXEGDDRFP-KRWDZBQOSA-N	1	1	358.511	2.499	20	30		FEEDMO
CC(C)OC(=O)C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccccc1	ZINC000181835188	547388565	/nfs/dbraw/zinc/38/85/65/547388565.db2.gz	GHUPWDJXGMLXOT-FXAWDEMLSA-N	1	1	357.454	2.467	20	30		FEEDMO
CC1(C)CN(CC(F)(F)F)CC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000182243494	547460226	/nfs/dbraw/zinc/46/02/26/547460226.db2.gz	XYAGKXGNIGGUIQ-HNNXBMFYSA-N	1	1	371.403	2.256	20	30		FEEDMO
CC1(C)CN(CC(F)(F)F)CC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000182243494	547460230	/nfs/dbraw/zinc/46/02/30/547460230.db2.gz	XYAGKXGNIGGUIQ-HNNXBMFYSA-N	1	1	371.403	2.256	20	30		FEEDMO
C[C@H](C#N)CNC(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000182591239	547518491	/nfs/dbraw/zinc/51/84/91/547518491.db2.gz	BDTSEEIDSTXILM-GOSISDBHSA-N	1	1	357.502	2.043	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000182622637	547523929	/nfs/dbraw/zinc/52/39/29/547523929.db2.gz	SCAYGSURZXQGDK-LPHOPBHVSA-N	1	1	358.461	2.409	20	30		FEEDMO
COCCOC[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182814619	547555753	/nfs/dbraw/zinc/55/57/53/547555753.db2.gz	IQRAJTQMQLLJCZ-PKOBYXMFSA-N	1	1	357.454	2.039	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(CCCN2CCOCC2)CC1	ZINC000182976393	547582545	/nfs/dbraw/zinc/58/25/45/547582545.db2.gz	APAYHNSFPISMGV-UHFFFAOYSA-N	1	1	351.535	2.235	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C	ZINC000184618580	547855521	/nfs/dbraw/zinc/85/55/21/547855521.db2.gz	ZNKFLEYHROHXQM-JKSUJKDBSA-N	1	1	358.442	2.284	20	30		FEEDMO
CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CC#Cc1ccc(Cl)cc1)CCC	ZINC000186880754	548211308	/nfs/dbraw/zinc/21/13/08/548211308.db2.gz	VVUPXGHZKCIFAQ-QGZVFWFLSA-N	1	1	363.889	2.174	20	30		FEEDMO
CCCNC(=O)C[C@H](C(N)=O)[N@H+](CC#Cc1ccc(Cl)cc1)CCC	ZINC000186880754	548211313	/nfs/dbraw/zinc/21/13/13/548211313.db2.gz	VVUPXGHZKCIFAQ-QGZVFWFLSA-N	1	1	363.889	2.174	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)NCc1ccccc1C[NH+]1CCC(C)CC1	ZINC000194017081	548422424	/nfs/dbraw/zinc/42/24/24/548422424.db2.gz	JQRDZHZCXQLXCD-QGZVFWFLSA-N	1	1	372.513	2.408	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)Cc3ccc(C#N)cc3)cc2)CC1	ZINC000194755872	548527713	/nfs/dbraw/zinc/52/77/13/548527713.db2.gz	SFNPRSSKDBVXST-UHFFFAOYSA-N	1	1	362.433	2.127	20	30		FEEDMO
CCOC(=O)N1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1	ZINC000194868570	548543394	/nfs/dbraw/zinc/54/33/94/548543394.db2.gz	RZHUGNQBGQCBQA-UHFFFAOYSA-N	1	1	350.444	2.113	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)[C@H](Cc1ccccc1)C(=O)OCC	ZINC000487354984	561368103	/nfs/dbraw/zinc/36/81/03/561368103.db2.gz	OXTCRLWTICSREQ-QXAKKESOSA-N	1	1	358.482	2.373	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](CCC(N)=O)C1	ZINC000245393024	548906380	/nfs/dbraw/zinc/90/63/80/548906380.db2.gz	BZNXJDODICWLQZ-STQMWFEESA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](CCC(N)=O)C1	ZINC000245393024	548906383	/nfs/dbraw/zinc/90/63/83/548906383.db2.gz	BZNXJDODICWLQZ-STQMWFEESA-N	1	1	374.510	2.413	20	30		FEEDMO
COCCOC[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245519547	548938296	/nfs/dbraw/zinc/93/82/96/548938296.db2.gz	IQRAJTQMQLLJCZ-MJGOQNOKSA-N	1	1	357.454	2.039	20	30		FEEDMO
C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C[C@H]1CCCC[C@H]1O	ZINC000245534343	548941132	/nfs/dbraw/zinc/94/11/32/548941132.db2.gz	DUWXASXDPMDEKR-CRAIPNDOSA-N	1	1	367.453	2.165	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000245583221	548951447	/nfs/dbraw/zinc/95/14/47/548951447.db2.gz	DDMFEKWVWDWQCO-SIXWZSSISA-N	1	1	366.465	2.361	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000245583221	548951449	/nfs/dbraw/zinc/95/14/49/548951449.db2.gz	DDMFEKWVWDWQCO-SIXWZSSISA-N	1	1	366.465	2.361	20	30		FEEDMO
C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000245674179	548971998	/nfs/dbraw/zinc/97/19/98/548971998.db2.gz	FYABDARGMGFWDN-MAUKXSAKSA-N	1	1	356.470	2.466	20	30		FEEDMO
CC1(C)[C@@H]2C[N@H+](CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C[C@@H]21	ZINC000245847054	549002672	/nfs/dbraw/zinc/00/26/72/549002672.db2.gz	LNTOFHJLUBJDRZ-OWCLPIDISA-N	1	1	358.511	2.045	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1	ZINC000246008906	549035836	/nfs/dbraw/zinc/03/58/36/549035836.db2.gz	KOFNPDXQITWDRX-PMACEKPBSA-N	1	1	358.530	2.243	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000488341833	561388373	/nfs/dbraw/zinc/38/83/73/561388373.db2.gz	ARXHBNXAZPVSCJ-CQSZACIVSA-N	1	1	358.442	2.284	20	30		FEEDMO
C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000488593434	561392509	/nfs/dbraw/zinc/39/25/09/561392509.db2.gz	MNRORXJTWQKYHA-CYBMUJFWSA-N	1	1	362.426	2.485	20	30		FEEDMO
N#C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCO1	ZINC000246705857	549192653	/nfs/dbraw/zinc/19/26/53/549192653.db2.gz	YZONBTGVCFXSQD-IPQPSQTFSA-N	1	1	354.454	2.116	20	30		FEEDMO
C=CC[C@H](C)NC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000246925458	549243563	/nfs/dbraw/zinc/24/35/63/549243563.db2.gz	BLFPLCBEYJLEDO-MAUKXSAKSA-N	1	1	358.486	2.148	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CCN(C(C)=O)C1	ZINC000247179873	549294805	/nfs/dbraw/zinc/29/48/05/549294805.db2.gz	YCAVZBUUPXQEET-DOTOQJQBSA-N	1	1	363.527	2.451	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC[C@H]21	ZINC000248051796	549403768	/nfs/dbraw/zinc/40/37/68/549403768.db2.gz	WLEMFKHXKURYDG-DZGCQCFKSA-N	1	1	353.875	2.316	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCS[C@@H]4COCC[C@H]43)C2=O)cc1	ZINC000248732418	549492985	/nfs/dbraw/zinc/49/29/85/549492985.db2.gz	JUOLYFLFSUAARE-FGTMMUONSA-N	1	1	357.479	2.260	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F	ZINC000489806010	561419433	/nfs/dbraw/zinc/41/94/33/561419433.db2.gz	PJDZWLJXXNWWPX-MRXNPFEDSA-N	1	1	373.453	2.498	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(SC)c(OC)c1	ZINC000263728604	549927093	/nfs/dbraw/zinc/92/70/93/549927093.db2.gz	PQYOZJUZTLOOLS-GFCCVEGCSA-N	1	1	351.472	2.249	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(SC)c(OC)c1	ZINC000263728604	549927096	/nfs/dbraw/zinc/92/70/96/549927096.db2.gz	PQYOZJUZTLOOLS-GFCCVEGCSA-N	1	1	351.472	2.249	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1	ZINC000263981739	549963382	/nfs/dbraw/zinc/96/33/82/549963382.db2.gz	GEQFFIZTDYIEAI-INIZCTEOSA-N	1	1	358.486	2.218	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1	ZINC000263981739	549963383	/nfs/dbraw/zinc/96/33/83/549963383.db2.gz	GEQFFIZTDYIEAI-INIZCTEOSA-N	1	1	358.486	2.218	20	30		FEEDMO
CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000490975270	561441184	/nfs/dbraw/zinc/44/11/84/561441184.db2.gz	UVHWUTGDWJPJEI-NVXWUHKLSA-N	1	1	359.474	2.236	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCC#Cc2ccccc2)C[C@@H](C)O1	ZINC000264286851	549993629	/nfs/dbraw/zinc/99/36/29/549993629.db2.gz	TXMCCJMPQRSGGW-QWFCFKBJSA-N	1	1	355.482	2.321	20	30		FEEDMO
N#CC1(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CCOCC1	ZINC000264552872	549998033	/nfs/dbraw/zinc/99/80/33/549998033.db2.gz	ZEUGOUQZTWTFIK-UHFFFAOYSA-N	1	1	353.466	2.356	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1	ZINC000264735127	550000963	/nfs/dbraw/zinc/00/09/63/550000963.db2.gz	QIEOVSIBOGYLBF-SJORKVTESA-N	1	1	356.470	2.088	20	30		FEEDMO
N#CCCCOc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)c1	ZINC000265028879	550004912	/nfs/dbraw/zinc/00/49/12/550004912.db2.gz	OWUKMYRSGRUMCZ-UHFFFAOYSA-N	1	1	370.453	2.004	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN2CC[C@@H](C[N@H+](C)CC)C2)c(OC)c1	ZINC000266642816	550022684	/nfs/dbraw/zinc/02/26/84/550022684.db2.gz	UZHGNWOWFILPEC-RBUKOAKNSA-N	1	1	362.514	2.437	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+](CCCO)[C@H]1CCCc2ccccc21	ZINC000266848383	550024472	/nfs/dbraw/zinc/02/44/72/550024472.db2.gz	BHBSINUPRTUBHW-FQEVSTJZSA-N	1	1	368.481	2.404	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CC1	ZINC000267266961	550029694	/nfs/dbraw/zinc/02/96/94/550029694.db2.gz	XUQVLMACDYUGQL-UHFFFAOYSA-N	1	1	371.890	2.227	20	30		FEEDMO
CNS(=O)(=O)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000267418453	550030891	/nfs/dbraw/zinc/03/08/91/550030891.db2.gz	VWCHGECFBKUZGX-UHFFFAOYSA-N	1	1	360.401	2.071	20	30		FEEDMO
C=CC[N@@H+](CCc1ccco1)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000491305536	561444585	/nfs/dbraw/zinc/44/45/85/561444585.db2.gz	MKIQWDHWBMSYCU-LJQANCHMSA-N	1	1	358.486	2.002	20	30		FEEDMO
C=CC[N@H+](CCc1ccco1)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000491305536	561444586	/nfs/dbraw/zinc/44/45/86/561444586.db2.gz	MKIQWDHWBMSYCU-LJQANCHMSA-N	1	1	358.486	2.002	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)cc1C#N	ZINC000269397489	550190348	/nfs/dbraw/zinc/19/03/48/550190348.db2.gz	UPJPOUJLGXRASS-UHFFFAOYSA-N	1	1	372.469	2.227	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1	ZINC000269611855	550210633	/nfs/dbraw/zinc/21/06/33/550210633.db2.gz	YQOLJEHFMZWQPD-RDTXWAMCSA-N	1	1	370.428	2.111	20	30		FEEDMO
N#Cc1ccc(CNC(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000269699954	550218384	/nfs/dbraw/zinc/21/83/84/550218384.db2.gz	YCEJWVUBSYBOTQ-ICSRJNTNSA-N	1	1	352.482	2.123	20	30		FEEDMO
COCC1(O)CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1	ZINC000270420456	550270862	/nfs/dbraw/zinc/27/08/62/550270862.db2.gz	ZTFXJJWHNWYQIY-KRWDZBQOSA-N	1	1	359.470	2.104	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000270899101	550318541	/nfs/dbraw/zinc/31/85/41/550318541.db2.gz	MHLACTULTYEPOU-HOTGVXAUSA-N	1	1	361.511	2.348	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000270899101	550318543	/nfs/dbraw/zinc/31/85/43/550318543.db2.gz	MHLACTULTYEPOU-HOTGVXAUSA-N	1	1	361.511	2.348	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)c1cccc(C)c1C#N)CCC(F)(F)F	ZINC000494402492	561469012	/nfs/dbraw/zinc/46/90/12/561469012.db2.gz	CQRCGBZFSSFJJC-UHFFFAOYSA-N	1	1	363.405	2.419	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1cccc(C)c1C#N)CCC(F)(F)F	ZINC000494402492	561469013	/nfs/dbraw/zinc/46/90/13/561469013.db2.gz	CQRCGBZFSSFJJC-UHFFFAOYSA-N	1	1	363.405	2.419	20	30		FEEDMO
C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(C)(C#N)CC1	ZINC000272619717	550461126	/nfs/dbraw/zinc/46/11/26/550461126.db2.gz	UORPPRUWURCOJX-MJGOQNOKSA-N	1	1	354.498	2.391	20	30		FEEDMO
C=CCNC(=O)C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1	ZINC000494437219	561469704	/nfs/dbraw/zinc/46/97/04/561469704.db2.gz	NIMBONXMSREFBY-UHFFFAOYSA-N	1	1	352.360	2.342	20	30		FEEDMO
N#CC1(c2nc(-c3ccccc3C[N@H+]3CCC[C@H]3C(N)=O)no2)CCC1	ZINC000273730568	550509424	/nfs/dbraw/zinc/50/94/24/550509424.db2.gz	AIBOGHOTVRUVQU-HNNXBMFYSA-N	1	1	351.410	2.132	20	30		FEEDMO
N#CC1(c2nc(-c3ccccc3C[N@@H+]3CCC[C@H]3C(N)=O)no2)CCC1	ZINC000273730568	550509426	/nfs/dbraw/zinc/50/94/26/550509426.db2.gz	AIBOGHOTVRUVQU-HNNXBMFYSA-N	1	1	351.410	2.132	20	30		FEEDMO
C=CCNC(=O)c1cccc(-c2noc(CCCC[NH+]3CCOCC3)n2)c1	ZINC000273841516	550513259	/nfs/dbraw/zinc/51/32/59/550513259.db2.gz	LGDLDYXIPAXGAJ-UHFFFAOYSA-N	1	1	370.453	2.307	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)ncc1F	ZINC000273860360	550513838	/nfs/dbraw/zinc/51/38/38/550513838.db2.gz	LZSDPNJVPBZHBW-VIFPVBQESA-N	1	1	351.241	2.235	20	30		FEEDMO
C#CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1)C1CC1	ZINC000274078908	550522434	/nfs/dbraw/zinc/52/24/34/550522434.db2.gz	GUKZIGRRFMFPCV-MRXNPFEDSA-N	1	1	357.454	2.085	20	30		FEEDMO
C#CCN(C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1)C1CC1	ZINC000274078908	550522435	/nfs/dbraw/zinc/52/24/35/550522435.db2.gz	GUKZIGRRFMFPCV-MRXNPFEDSA-N	1	1	357.454	2.085	20	30		FEEDMO
C=CCC1(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCC1	ZINC000276606159	550579347	/nfs/dbraw/zinc/57/93/47/550579347.db2.gz	QOJRWWZLCBXFDK-UHFFFAOYSA-N	1	1	355.482	2.437	20	30		FEEDMO
C[C@@H]1CCN(S(=O)(=O)c2cccnc2C#N)CC[N@@H+]1Cc1ccccc1	ZINC000277091785	550631244	/nfs/dbraw/zinc/63/12/44/550631244.db2.gz	VRIKXBSZJQWYAY-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@@H]1CCN(S(=O)(=O)c2cccnc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000277091785	550631245	/nfs/dbraw/zinc/63/12/45/550631245.db2.gz	VRIKXBSZJQWYAY-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2nn[nH]c21	ZINC000277538395	550681889	/nfs/dbraw/zinc/68/18/89/550681889.db2.gz	VFESXNFSIJTXRT-UHFFFAOYSA-N	1	1	366.400	2.173	20	30		FEEDMO
CC[N@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)c2ccc(C#N)c(C)n2)C1	ZINC000495149100	561483166	/nfs/dbraw/zinc/48/31/66/561483166.db2.gz	FQEIKOPQOWRJQW-UHFFFAOYSA-N	1	1	372.469	2.186	20	30		FEEDMO
CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)c2ccc(C#N)c(C)n2)C1	ZINC000495149100	561483167	/nfs/dbraw/zinc/48/31/67/561483167.db2.gz	FQEIKOPQOWRJQW-UHFFFAOYSA-N	1	1	372.469	2.186	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)NCCCNc2ccc(C)c[nH+]2)n1	ZINC000279330974	550878487	/nfs/dbraw/zinc/87/84/87/550878487.db2.gz	ZGQABQFDBCWKES-UHFFFAOYSA-N	1	1	354.458	2.253	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@]2(CCOC2)O1	ZINC000280333329	550981834	/nfs/dbraw/zinc/98/18/34/550981834.db2.gz	HUOBDUJBMNNMEH-ACJLOTCBSA-N	1	1	363.845	2.420	20	30		FEEDMO
C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Br)cn1	ZINC000280497718	551000741	/nfs/dbraw/zinc/00/07/41/551000741.db2.gz	MRWSILLVBWQKDD-ZUZCIYMTSA-N	1	1	351.248	2.303	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000280611412	551013227	/nfs/dbraw/zinc/01/32/27/551013227.db2.gz	QLAZSBXQAMLHKN-OAHLLOKOSA-N	1	1	352.438	2.400	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	ZINC000280661148	551018796	/nfs/dbraw/zinc/01/87/96/551018796.db2.gz	DUZAHJMCUHMCLY-LIRRHRJNSA-N	1	1	374.510	2.477	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	ZINC000280661148	551018797	/nfs/dbraw/zinc/01/87/97/551018797.db2.gz	DUZAHJMCUHMCLY-LIRRHRJNSA-N	1	1	374.510	2.477	20	30		FEEDMO
C[C@@]1(C(N)=O)CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000280675331	551020237	/nfs/dbraw/zinc/02/02/37/551020237.db2.gz	GFDYZWGLYDJSNG-GOSISDBHSA-N	1	1	360.483	2.024	20	30		FEEDMO
C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000280675331	551020238	/nfs/dbraw/zinc/02/02/38/551020238.db2.gz	GFDYZWGLYDJSNG-GOSISDBHSA-N	1	1	360.483	2.024	20	30		FEEDMO
N#Cc1cc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)ccn1	ZINC000281463933	551100831	/nfs/dbraw/zinc/10/08/31/551100831.db2.gz	DCFFERGQABVZEM-GOSISDBHSA-N	1	1	352.463	2.301	20	30		FEEDMO
N#Cc1cc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)ccn1	ZINC000281463933	551100834	/nfs/dbraw/zinc/10/08/34/551100834.db2.gz	DCFFERGQABVZEM-GOSISDBHSA-N	1	1	352.463	2.301	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000281870105	551151045	/nfs/dbraw/zinc/15/10/45/551151045.db2.gz	SMRWCSRIOWTGFO-WOJBJXKFSA-N	1	1	373.497	2.299	20	30		FEEDMO
C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[NH+](C2CC2)CC1	ZINC000282163086	551189100	/nfs/dbraw/zinc/18/91/00/551189100.db2.gz	CZNRTFCYQGXDQW-SFHVURJKSA-N	1	1	367.453	2.261	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CCOCCO)sc2C1	ZINC000282489648	551236364	/nfs/dbraw/zinc/23/63/64/551236364.db2.gz	MYWQSSNWEVCYNG-ZDUSSCGKSA-N	1	1	365.499	2.014	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000282570202	551247474	/nfs/dbraw/zinc/24/74/74/551247474.db2.gz	AZZRSDPWLMFHPG-CYBMUJFWSA-N	1	1	372.347	2.299	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000282864553	551279522	/nfs/dbraw/zinc/27/95/22/551279522.db2.gz	YACFHMQYAIEWNY-UHFFFAOYSA-N	1	1	359.474	2.104	20	30		FEEDMO
COCC[NH+]1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1	ZINC000282917988	551285357	/nfs/dbraw/zinc/28/53/57/551285357.db2.gz	DQNQLZXUZZCJDX-UHFFFAOYSA-N	1	1	372.347	2.253	20	30		FEEDMO
CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)C[C@@H](C)C#N)c1ccsc1	ZINC000282959360	551290006	/nfs/dbraw/zinc/29/00/06/551290006.db2.gz	VWIIWOKKFHXVNB-ZFWWWQNUSA-N	1	1	358.533	2.057	20	30		FEEDMO
C=C(C)Cn1c(-c2cccnc2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1	ZINC000283490466	551375592	/nfs/dbraw/zinc/37/55/92/551375592.db2.gz	CXMDBNXMIRMKOC-UHFFFAOYSA-N	1	1	370.501	2.463	20	30		FEEDMO
C=C(C)Cn1c(-c2cccnc2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1	ZINC000283490466	551375594	/nfs/dbraw/zinc/37/55/94/551375594.db2.gz	CXMDBNXMIRMKOC-UHFFFAOYSA-N	1	1	370.501	2.463	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cc(C#N)ccn2)CC1	ZINC000283725474	551417105	/nfs/dbraw/zinc/41/71/05/551417105.db2.gz	LGPUZROQSBPDDL-UHFFFAOYSA-N	1	1	363.465	2.021	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C	ZINC000283908234	551447955	/nfs/dbraw/zinc/44/79/55/551447955.db2.gz	DFLPLPIYAORZPH-GOSISDBHSA-N	1	1	369.465	2.256	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)NCCCCC#N)cc1	ZINC000284441443	551549934	/nfs/dbraw/zinc/54/99/34/551549934.db2.gz	LPBMQKGWIAYEGW-QGZVFWFLSA-N	1	1	370.497	2.487	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NCCCCC#N)cc2)C1	ZINC000284577256	551581408	/nfs/dbraw/zinc/58/14/08/551581408.db2.gz	VFBUHQMEWSOPPX-QGZVFWFLSA-N	1	1	370.497	2.345	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1	ZINC000284759023	551625704	/nfs/dbraw/zinc/62/57/04/551625704.db2.gz	LYXINPBLSVSCJA-QZTJIDSGSA-N	1	1	365.437	2.326	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCCO1	ZINC000284759023	551625707	/nfs/dbraw/zinc/62/57/07/551625707.db2.gz	LYXINPBLSVSCJA-QZTJIDSGSA-N	1	1	365.437	2.326	20	30		FEEDMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C)C1	ZINC000284769184	551628755	/nfs/dbraw/zinc/62/87/55/551628755.db2.gz	GZRQURBJJRFGJK-NWDGAFQWSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H](C)C1	ZINC000284769184	551628756	/nfs/dbraw/zinc/62/87/56/551628756.db2.gz	GZRQURBJJRFGJK-NWDGAFQWSA-N	1	1	368.384	2.078	20	30		FEEDMO
C[N@@H+]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@H]1Cc1ccccc1	ZINC000285013785	551689501	/nfs/dbraw/zinc/68/95/01/551689501.db2.gz	ZRZMZKYPSHKGNI-QGZVFWFLSA-N	1	1	352.442	2.187	20	30		FEEDMO
C[N@H+]1CCN(C(=O)Nc2ccn(CCC#N)n2)C[C@H]1Cc1ccccc1	ZINC000285013785	551689503	/nfs/dbraw/zinc/68/95/03/551689503.db2.gz	ZRZMZKYPSHKGNI-QGZVFWFLSA-N	1	1	352.442	2.187	20	30		FEEDMO
C=CCCCCNC(=O)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000285787636	551810750	/nfs/dbraw/zinc/81/07/50/551810750.db2.gz	LVNQPGLWARPVED-LJQANCHMSA-N	1	1	357.498	2.140	20	30		FEEDMO
Cn1cc[nH+]c1N1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1	ZINC000286673442	551913276	/nfs/dbraw/zinc/91/32/76/551913276.db2.gz	FHEUEQMTCRXMEO-UHFFFAOYSA-N	1	1	355.417	2.057	20	30		FEEDMO
C=CCCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000288171164	552103937	/nfs/dbraw/zinc/10/39/37/552103937.db2.gz	MPYMPHPRMRRHCL-IEBWSBKVSA-N	1	1	357.498	2.486	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000499723325	561556970	/nfs/dbraw/zinc/55/69/70/561556970.db2.gz	OTTSSAFUNSOJHW-KRWDZBQOSA-N	1	1	366.469	2.320	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[C@@H](C)C1	ZINC000288350975	552138520	/nfs/dbraw/zinc/13/85/20/552138520.db2.gz	JBLYGLDNEDOESM-HNNXBMFYSA-N	1	1	358.461	2.466	20	30		FEEDMO
Cc1onc(CC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1C#N	ZINC000499880423	561560466	/nfs/dbraw/zinc/56/04/66/561560466.db2.gz	VHDYDDLADKZYMF-CYBMUJFWSA-N	1	1	354.410	2.429	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1	ZINC000288731638	552202291	/nfs/dbraw/zinc/20/22/91/552202291.db2.gz	GQFPXFLJHGJIJG-VQTJNVASSA-N	1	1	361.461	2.107	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1	ZINC000288731638	552202294	/nfs/dbraw/zinc/20/22/94/552202294.db2.gz	GQFPXFLJHGJIJG-VQTJNVASSA-N	1	1	361.461	2.107	20	30		FEEDMO
Cn1cc(C#N)c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)n1	ZINC000289084774	552263440	/nfs/dbraw/zinc/26/34/40/552263440.db2.gz	CITYOSACBSNIQV-HNNXBMFYSA-N	1	1	359.380	2.388	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(c3cccc(F)c3C#N)CC1)C2	ZINC000289467143	552326230	/nfs/dbraw/zinc/32/62/30/552326230.db2.gz	HBXCHJUBYPRCCX-OAHLLOKOSA-N	1	1	367.428	2.114	20	30		FEEDMO
C=CCc1cc(C[NH+]2CCC(NS(=O)(=O)CC)CC2)cc(OC)c1O	ZINC000289558438	552340600	/nfs/dbraw/zinc/34/06/00/552340600.db2.gz	YIIDONAPXOWCJO-UHFFFAOYSA-N	1	1	368.499	2.033	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000289629930	552352383	/nfs/dbraw/zinc/35/23/83/552352383.db2.gz	ZPRUDNQACSOQOD-KXBFYZLASA-N	1	1	370.478	2.142	20	30		FEEDMO
N#Cc1ccc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)s1	ZINC000289662342	552358043	/nfs/dbraw/zinc/35/80/43/552358043.db2.gz	CYNWQVLYCYAILX-UHFFFAOYSA-N	1	1	360.527	2.434	20	30		FEEDMO
Cn1cc(CN2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1C#N	ZINC000290102729	552427945	/nfs/dbraw/zinc/42/79/45/552427945.db2.gz	HSQUCXBSWDLJBC-QGZVFWFLSA-N	1	1	373.501	2.024	20	30		FEEDMO
N#Cc1ncccc1NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000290661180	552514872	/nfs/dbraw/zinc/51/48/72/552514872.db2.gz	PXQRSHBINJZZQX-UHFFFAOYSA-N	1	1	365.437	2.226	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000290773969	552535814	/nfs/dbraw/zinc/53/58/14/552535814.db2.gz	BWNNKUZBMPJWQA-AWEZNQCLSA-N	1	1	361.490	2.308	20	30		FEEDMO
Cc1nsc(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)c1C#N	ZINC000291700854	552652555	/nfs/dbraw/zinc/65/25/55/552652555.db2.gz	YZNRQSZFIIRMLE-UHFFFAOYSA-N	1	1	358.423	2.080	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2=O)cc1	ZINC000292248584	552708859	/nfs/dbraw/zinc/70/88/59/552708859.db2.gz	QSCXRFSIGBAQHZ-RTBURBONSA-N	1	1	373.416	2.084	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2=O)cc1	ZINC000292248584	552708860	/nfs/dbraw/zinc/70/88/60/552708860.db2.gz	QSCXRFSIGBAQHZ-RTBURBONSA-N	1	1	373.416	2.084	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292292428	552712985	/nfs/dbraw/zinc/71/29/85/552712985.db2.gz	UHCOBFNNVRPKTQ-RDJZCZTQSA-N	1	1	367.453	2.138	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292292428	552712987	/nfs/dbraw/zinc/71/29/87/552712987.db2.gz	UHCOBFNNVRPKTQ-RDJZCZTQSA-N	1	1	367.453	2.138	20	30		FEEDMO
C=CCC(C)(C)CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000292406822	552723961	/nfs/dbraw/zinc/72/39/61/552723961.db2.gz	DDXRPJGHXJZVID-UHFFFAOYSA-N	1	1	372.513	2.476	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@H](CO)CC1	ZINC000293269572	552805489	/nfs/dbraw/zinc/80/54/89/552805489.db2.gz	UVSBLHMMLJOZHF-IRXDYDNUSA-N	1	1	359.470	2.425	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000293538243	552833463	/nfs/dbraw/zinc/83/34/63/552833463.db2.gz	XOPNLDCUHIIBMT-RDJZCZTQSA-N	1	1	369.469	2.005	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cn2)C1	ZINC000293538255	552833485	/nfs/dbraw/zinc/83/34/85/552833485.db2.gz	XOPNLDCUHIIBMT-WBVHZDCISA-N	1	1	369.469	2.005	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-]	ZINC000293908111	552867035	/nfs/dbraw/zinc/86/70/35/552867035.db2.gz	FWKFYCWXMLUJPL-UHFFFAOYSA-N	1	1	351.428	2.010	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)N(CCC#N)CCC#N	ZINC000501788085	561605646	/nfs/dbraw/zinc/60/56/46/561605646.db2.gz	DAMIXEACIZKZGU-OALUTQOASA-N	1	1	367.497	2.237	20	30		FEEDMO
C#CCO[C@@H](C)C(=O)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1	ZINC000294600908	552919141	/nfs/dbraw/zinc/91/91/41/552919141.db2.gz	NSZGRANBXHKVQO-KRWDZBQOSA-N	1	1	373.497	2.168	20	30		FEEDMO
C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1	ZINC000295020301	552952141	/nfs/dbraw/zinc/95/21/41/552952141.db2.gz	NQBGZJDKKVGCSH-CYBMUJFWSA-N	1	1	374.453	2.297	20	30		FEEDMO
C#CC[N@H+](C)CCCN[C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1	ZINC000295020301	552952142	/nfs/dbraw/zinc/95/21/42/552952142.db2.gz	NQBGZJDKKVGCSH-CYBMUJFWSA-N	1	1	374.453	2.297	20	30		FEEDMO
C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1	ZINC000295020304	552952152	/nfs/dbraw/zinc/95/21/52/552952152.db2.gz	NQBGZJDKKVGCSH-ZDUSSCGKSA-N	1	1	374.453	2.297	20	30		FEEDMO
C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1	ZINC000295020304	552952153	/nfs/dbraw/zinc/95/21/53/552952153.db2.gz	NQBGZJDKKVGCSH-ZDUSSCGKSA-N	1	1	374.453	2.297	20	30		FEEDMO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000295132500	552962161	/nfs/dbraw/zinc/96/21/61/552962161.db2.gz	JZKUZMITHVQTCY-WFASDCNBSA-N	1	1	359.854	2.305	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNS(=O)(=O)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000295132500	552962163	/nfs/dbraw/zinc/96/21/63/552962163.db2.gz	JZKUZMITHVQTCY-WFASDCNBSA-N	1	1	359.854	2.305	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1	ZINC000295384064	552997696	/nfs/dbraw/zinc/99/76/96/552997696.db2.gz	HDAJTWKOQMWPOV-GOSISDBHSA-N	1	1	359.470	2.070	20	30		FEEDMO
N#Cc1cc(NCCCN2CCN(c3cc[nH+]cc3)CC2)nc(C2CC2)n1	ZINC000601108681	553348345	/nfs/dbraw/zinc/34/83/45/553348345.db2.gz	INVXWDDKOBSHGB-UHFFFAOYSA-N	1	1	363.469	2.245	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1	ZINC000297980984	553366084	/nfs/dbraw/zinc/36/60/84/553366084.db2.gz	IJGNIDCUWCOEKA-LJQANCHMSA-N	1	1	357.498	2.392	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC	ZINC000298255960	553404590	/nfs/dbraw/zinc/40/45/90/553404590.db2.gz	FFEFPAVXKMSOKK-IBGZPJMESA-N	1	1	372.513	2.319	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1	ZINC000298263773	553405545	/nfs/dbraw/zinc/40/55/45/553405545.db2.gz	GKIGFGGBOHQPKE-SFHVURJKSA-N	1	1	373.497	2.010	20	30		FEEDMO
N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1	ZINC000503648250	561645933	/nfs/dbraw/zinc/64/59/33/561645933.db2.gz	NOUOAJAKKYYTFX-UHFFFAOYSA-N	1	1	364.405	2.111	20	30		FEEDMO
CCCCN(C)C(=O)C1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000298808403	553475758	/nfs/dbraw/zinc/47/57/58/553475758.db2.gz	RGRCFKANZHXIAC-UHFFFAOYSA-N	1	1	370.497	2.145	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1	ZINC000602137915	553526004	/nfs/dbraw/zinc/52/60/04/553526004.db2.gz	UKWJGIVKTMCOQH-INIZCTEOSA-N	1	1	350.426	2.403	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CC[N@H+]1C1CCCC1	ZINC000602137915	553526006	/nfs/dbraw/zinc/52/60/06/553526006.db2.gz	UKWJGIVKTMCOQH-INIZCTEOSA-N	1	1	350.426	2.403	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1	ZINC000299223416	553533297	/nfs/dbraw/zinc/53/32/97/553533297.db2.gz	AXCQGNNTBIQDAV-LJQANCHMSA-N	1	1	359.470	2.438	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1	ZINC000299223416	553533299	/nfs/dbraw/zinc/53/32/99/553533299.db2.gz	AXCQGNNTBIQDAV-LJQANCHMSA-N	1	1	359.470	2.438	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000299536492	553577683	/nfs/dbraw/zinc/57/76/83/553577683.db2.gz	UZMHACJEHZEFNQ-GOSISDBHSA-N	1	1	369.469	2.013	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000311941168	553755721	/nfs/dbraw/zinc/75/57/21/553755721.db2.gz	HXESVNMWCPVQAC-UXHICEINSA-N	1	1	354.498	2.202	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000311941168	553755724	/nfs/dbraw/zinc/75/57/24/553755724.db2.gz	HXESVNMWCPVQAC-UXHICEINSA-N	1	1	354.498	2.202	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)cc1	ZINC000312626587	553756624	/nfs/dbraw/zinc/75/66/24/553756624.db2.gz	IDVSWESSAIDIGI-LEWJYISDSA-N	1	1	365.477	2.410	20	30		FEEDMO
N#Cc1ccc2nc(N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)ccc2c1	ZINC000603423141	553784612	/nfs/dbraw/zinc/78/46/12/553784612.db2.gz	MKSRWWRXASRWJT-IBGZPJMESA-N	1	1	365.481	2.315	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O	ZINC000328697684	553808836	/nfs/dbraw/zinc/80/88/36/553808836.db2.gz	DRBFSHMKXAKZAF-VBSBHUPXSA-N	1	1	371.481	2.184	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)c2cnc([C@H]3CCCO3)s2)CC1(C)C	ZINC000328717818	553811665	/nfs/dbraw/zinc/81/16/65/553811665.db2.gz	PMJQVNDOWZZBBQ-CYBMUJFWSA-N	1	1	352.504	2.325	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC1CC1)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000328739346	553815172	/nfs/dbraw/zinc/81/51/72/553815172.db2.gz	HVWLOBUDIDVNDD-QLFBSQMISA-N	1	1	366.506	2.229	20	30		FEEDMO
C[N@H+]1CCC[C@@]2(CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C2)C1	ZINC000328861678	553834264	/nfs/dbraw/zinc/83/42/64/553834264.db2.gz	LWDBOKZVZQOIFO-LJQANCHMSA-N	1	1	374.441	2.335	20	30		FEEDMO
CN1CCO[C@@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@H]21	ZINC000328927429	553845915	/nfs/dbraw/zinc/84/59/15/553845915.db2.gz	XCRUMAZJIIRKTA-HZPDHXFCSA-N	1	1	374.510	2.491	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)C1	ZINC000328999562	553861955	/nfs/dbraw/zinc/86/19/55/553861955.db2.gz	XBWUFSGIAXGSTD-SPYBWZPUSA-N	1	1	364.490	2.380	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(Cc3cnc4ccc(C#N)cn34)CC2)cc1	ZINC000506086888	561689938	/nfs/dbraw/zinc/68/99/38/561689938.db2.gz	PFLLYJHYDXVZPJ-UHFFFAOYSA-N	1	1	356.433	2.395	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O	ZINC000329116740	553883228	/nfs/dbraw/zinc/88/32/28/553883228.db2.gz	ISERNIXTWSSFCE-XMTFNYHQSA-N	1	1	353.507	2.027	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](c1nc(C)no1)C1CCOCC1	ZINC000329148928	553889623	/nfs/dbraw/zinc/88/96/23/553889623.db2.gz	YNTOEJKCSKXJOS-CVEARBPZSA-N	1	1	365.478	2.224	20	30		FEEDMO
Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)CC1	ZINC000329151146	553890318	/nfs/dbraw/zinc/89/03/18/553890318.db2.gz	ZYYMOVRNSLHGPJ-NVXWUHKLSA-N	1	1	372.473	2.247	20	30		FEEDMO
CC(C)[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1nncn1C	ZINC000329219447	553905269	/nfs/dbraw/zinc/90/52/69/553905269.db2.gz	AWICZUGCBCUZJX-OIISXLGYSA-N	1	1	360.506	2.375	20	30		FEEDMO
CC[C@H](NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)c1nnc2n1CCCCC2	ZINC000329302355	553921384	/nfs/dbraw/zinc/92/13/84/553921384.db2.gz	WTBGKXGPQPIQDK-HRCADAONSA-N	1	1	360.506	2.396	20	30		FEEDMO
O=C(N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1	ZINC000329309993	553922658	/nfs/dbraw/zinc/92/26/58/553922658.db2.gz	ZHJQNDWBBFUVRK-PBHICJAKSA-N	1	1	369.531	2.307	20	30		FEEDMO
Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)nn1-c1cccc(C#N)c1	ZINC000506489075	561700029	/nfs/dbraw/zinc/70/00/29/561700029.db2.gz	ULMPXMZLXKOXGG-KRWDZBQOSA-N	1	1	351.454	2.466	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)[C@H]2C1	ZINC000329433453	553946035	/nfs/dbraw/zinc/94/60/35/553946035.db2.gz	KVRLICSAEQSTCB-PBHICJAKSA-N	1	1	374.489	2.354	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)[C@H](C)C1	ZINC000329526519	553962452	/nfs/dbraw/zinc/96/24/52/553962452.db2.gz	HNAWQIATJQQBFI-IKGGRYGDSA-N	1	1	353.507	2.169	20	30		FEEDMO
CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C	ZINC000329531066	553962835	/nfs/dbraw/zinc/96/28/35/553962835.db2.gz	JDGABOIYMBKQNC-NEWSRXKRSA-N	1	1	372.513	2.410	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@]12CCCO2	ZINC000329539412	553964308	/nfs/dbraw/zinc/96/43/08/553964308.db2.gz	MSULJPZUYMKOBQ-ZXKJWYPDSA-N	1	1	351.491	2.184	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C)nn2)C1	ZINC000329553798	553966434	/nfs/dbraw/zinc/96/64/34/553966434.db2.gz	DHXONYQNOKESTJ-DLBZAZTESA-N	1	1	360.506	2.132	20	30		FEEDMO
CCc1nc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cs1	ZINC000329633343	553980241	/nfs/dbraw/zinc/98/02/41/553980241.db2.gz	WRHFRDZSIMRCIV-GZBFAFLISA-N	1	1	352.504	2.476	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H]1CCCN1C([O-])=[NH+]C1CCC2(CC1)NC(=O)NC2=O	ZINC000329712148	553993481	/nfs/dbraw/zinc/99/34/81/553993481.db2.gz	PPWANWQDUNSNNG-TXKKKEFDSA-N	1	1	374.445	2.135	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC1CCC2(CC1)NC(=O)NC2=O	ZINC000329712148	553993482	/nfs/dbraw/zinc/99/34/82/553993482.db2.gz	PPWANWQDUNSNNG-TXKKKEFDSA-N	1	1	374.445	2.135	20	30		FEEDMO
CC(C)n1nnnc1-c1ccccc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C	ZINC000329728547	553996557	/nfs/dbraw/zinc/99/65/57/553996557.db2.gz	CRBBDJIZNPFVIW-KGLIPLIRSA-N	1	1	357.462	2.491	20	30		FEEDMO
C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CCCN2c3ccccc3C[C@@H]2C1	ZINC000329770272	554003037	/nfs/dbraw/zinc/00/30/37/554003037.db2.gz	FVUWHZUUIOPKIQ-CRAIPNDOSA-N	1	1	370.497	2.089	20	30		FEEDMO
CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1	ZINC000329797674	554008020	/nfs/dbraw/zinc/00/80/20/554008020.db2.gz	HKIJPKKSIYSTHX-FCGDIQPGSA-N	1	1	365.518	2.359	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(S(C)(=O)=O)s1	ZINC000329864025	554021493	/nfs/dbraw/zinc/02/14/93/554021493.db2.gz	SJOFPZCAYHPTLM-OLZOCXBDSA-N	1	1	371.528	2.124	20	30		FEEDMO
C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1=O	ZINC000329894536	554026078	/nfs/dbraw/zinc/02/60/78/554026078.db2.gz	BLFFSIMZLOCXOH-LULLPPNCSA-N	1	1	370.497	2.021	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)c3cc4n(n3)CCCO4)CC2)nc(C)[nH+]1	ZINC000329901212	554027686	/nfs/dbraw/zinc/02/76/86/554027686.db2.gz	OKYOWNKYBUDXCX-UHFFFAOYSA-N	1	1	356.430	2.046	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1	ZINC000329975523	554042370	/nfs/dbraw/zinc/04/23/70/554042370.db2.gz	YEHRGJOXRPABAV-APWZRJJASA-N	1	1	353.507	2.291	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1	ZINC000329997289	554046598	/nfs/dbraw/zinc/04/65/98/554046598.db2.gz	QGMUMQRXZSOQLU-OAHLLOKOSA-N	1	1	372.473	2.440	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[S@](=O)C2)[C@H]1c1cccs1	ZINC000330010556	554048973	/nfs/dbraw/zinc/04/89/73/554048973.db2.gz	HCSXSAVAOBACKM-MLBPVHCZSA-N	1	1	355.529	2.156	20	30		FEEDMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccc(C2CC2)nn1	ZINC000330014163	554049812	/nfs/dbraw/zinc/04/98/12/554049812.db2.gz	APCWXUDYUVQHMF-UHFFFAOYSA-N	1	1	359.474	2.715	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCC(c2nnc3n2CCCC3)CC1	ZINC000330020827	554050628	/nfs/dbraw/zinc/05/06/28/554050628.db2.gz	AOLWOGLQHUXPCM-IAGOWNOFSA-N	1	1	372.517	2.335	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1CC(=O)Nc1nc2c(s1)CCC2	ZINC000330197144	554083405	/nfs/dbraw/zinc/08/34/05/554083405.db2.gz	RJWAPUZZMRVVEM-ZDUSSCGKSA-N	1	1	364.515	2.405	20	30		FEEDMO
CC1(C)CCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000330218313	554087360	/nfs/dbraw/zinc/08/73/60/554087360.db2.gz	JFJRUWARFBQORO-HOTGVXAUSA-N	1	1	351.491	2.235	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(c3cccnn3)CC2)C[C@H]1C	ZINC000330224241	554088190	/nfs/dbraw/zinc/08/81/90/554088190.db2.gz	AQHZEQYOCWXJLF-WBVHZDCISA-N	1	1	360.506	2.164	20	30		FEEDMO
C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC[C@H]1CCC2(CCCCC2)O1	ZINC000330233381	554089705	/nfs/dbraw/zinc/08/97/05/554089705.db2.gz	XWJXMOLXWUERCU-BRWVUGGUSA-N	1	1	353.507	2.169	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	ZINC000330236905	554090782	/nfs/dbraw/zinc/09/07/82/554090782.db2.gz	UPLINMHSFSGCKD-YXJHDRRASA-N	1	1	351.491	2.043	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@H](C)c2ncc(C)s2)C[C@@H]1[NH+]1CCOCC1	ZINC000330260609	554095079	/nfs/dbraw/zinc/09/50/79/554095079.db2.gz	OKEIUNCIFDQAMF-KFWWJZLASA-N	1	1	352.504	2.469	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)C1	ZINC000330311445	554103591	/nfs/dbraw/zinc/10/35/91/554103591.db2.gz	VSSLBKKEFPKHKO-ATZDWAIDSA-N	1	1	359.470	2.273	20	30		FEEDMO
CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000330336910	554107499	/nfs/dbraw/zinc/10/74/99/554107499.db2.gz	STUGHBMTRAWVEC-TWMKSMIVSA-N	1	1	361.490	2.254	20	30		FEEDMO
CC[N@@H+](CCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)C(C)C	ZINC000330439868	554122259	/nfs/dbraw/zinc/12/22/59/554122259.db2.gz	OISSQRIBWXRPCR-AWEZNQCLSA-N	1	1	367.515	2.432	20	30		FEEDMO
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CC[N@H+](C)C[C@@H]1C	ZINC000330667877	554154264	/nfs/dbraw/zinc/15/42/64/554154264.db2.gz	JKGORSCZZJJNQH-LRDDRELGSA-N	1	1	353.413	2.457	20	30		FEEDMO
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CC[N@@H+](C)C[C@@H]1C	ZINC000330667877	554154266	/nfs/dbraw/zinc/15/42/66/554154266.db2.gz	JKGORSCZZJJNQH-LRDDRELGSA-N	1	1	353.413	2.457	20	30		FEEDMO
CCCS(=O)(=O)Nc1cccc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c1	ZINC000330708581	554160790	/nfs/dbraw/zinc/16/07/90/554160790.db2.gz	NTACTEPKVWNQHI-KGLIPLIRSA-N	1	1	368.503	2.408	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC(O)(C(F)(F)F)CC2)C1	ZINC000330707781	554160820	/nfs/dbraw/zinc/16/08/20/554160820.db2.gz	QBLZNKOFUSFVLZ-CYBMUJFWSA-N	1	1	351.413	2.268	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1C(F)F	ZINC000330707392	554160889	/nfs/dbraw/zinc/16/08/89/554160889.db2.gz	PUNFPUAFHLZROX-QWHCGFSZSA-N	1	1	373.448	2.409	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1C(F)F	ZINC000330707392	554160893	/nfs/dbraw/zinc/16/08/93/554160893.db2.gz	PUNFPUAFHLZROX-QWHCGFSZSA-N	1	1	373.448	2.409	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1F	ZINC000330712900	554161615	/nfs/dbraw/zinc/16/16/15/554161615.db2.gz	WNGUZVYYHRESPJ-NEPJUHHUSA-N	1	1	357.401	2.296	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1F	ZINC000330712900	554161617	/nfs/dbraw/zinc/16/16/17/554161617.db2.gz	WNGUZVYYHRESPJ-NEPJUHHUSA-N	1	1	357.401	2.296	20	30		FEEDMO
CCN(CC)C(=O)C1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1	ZINC000330727012	554163651	/nfs/dbraw/zinc/16/36/51/554163651.db2.gz	IBRMSOVLJFKSEF-UHFFFAOYSA-N	1	1	362.518	2.252	20	30		FEEDMO
CC(=O)N1CC[C@H](NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1	ZINC000331001793	554199367	/nfs/dbraw/zinc/19/93/67/554199367.db2.gz	FWAMGNDDMJQOJH-XJKSGUPXSA-N	1	1	352.866	2.067	20	30		FEEDMO
CN(CC(=O)NC(=O)NC(C)(C)C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000331018421	554201860	/nfs/dbraw/zinc/20/18/60/554201860.db2.gz	VZLPTMXDCGUPPL-KRWDZBQOSA-N	1	1	360.502	2.412	20	30		FEEDMO
COc1ncc(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1C(N)=O	ZINC000331050823	554206322	/nfs/dbraw/zinc/20/63/22/554206322.db2.gz	XWLONZXSLVMUMJ-LBPRGKRZSA-N	1	1	363.462	2.026	20	30		FEEDMO
Cc1c(CS(C)(=O)=O)cccc1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000331228867	554233488	/nfs/dbraw/zinc/23/34/88/554233488.db2.gz	CGMAJRVAZUZTIL-CZUORRHYSA-N	1	1	367.515	2.500	20	30		FEEDMO
C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCOCC)CC1	ZINC000508790508	561772847	/nfs/dbraw/zinc/77/28/47/561772847.db2.gz	KFCLVIOCTWKHRJ-UHFFFAOYSA-N	1	1	366.469	2.161	20	30		FEEDMO
Cc1cc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc(S(N)(=O)=O)c1C	ZINC000331307989	554245324	/nfs/dbraw/zinc/24/53/24/554245324.db2.gz	WSTVWTBTDIBSQQ-UHFFFAOYSA-N	1	1	367.515	2.377	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000331406328	554259539	/nfs/dbraw/zinc/25/95/39/554259539.db2.gz	FJJRPFGNSZYPRB-ZWKOTPCHSA-N	1	1	355.486	2.079	20	30		FEEDMO
CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)[C@H](C)CC#N	ZINC000509287082	561793834	/nfs/dbraw/zinc/79/38/34/561793834.db2.gz	NAVWBJCPXREBPP-AEFFLSMTSA-N	1	1	366.531	2.211	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1	ZINC000332273453	554414635	/nfs/dbraw/zinc/41/46/35/554414635.db2.gz	CMGRVIQZMIRDMS-BBRMVZONSA-N	1	1	361.408	2.497	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1	ZINC000332273453	554414637	/nfs/dbraw/zinc/41/46/37/554414637.db2.gz	CMGRVIQZMIRDMS-BBRMVZONSA-N	1	1	361.408	2.497	20	30		FEEDMO
C[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[C@@H](C)C[N@H+]1C	ZINC000332339573	554428461	/nfs/dbraw/zinc/42/84/61/554428461.db2.gz	DRTHUUDZRHBDPM-CABCVRRESA-N	1	1	358.461	2.465	20	30		FEEDMO
Cc1cc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1C#N	ZINC000332638804	554488918	/nfs/dbraw/zinc/48/89/18/554488918.db2.gz	UQZFLWZAARJIDA-HOTGVXAUSA-N	1	1	365.499	2.034	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000332667934	554493958	/nfs/dbraw/zinc/49/39/58/554493958.db2.gz	MIWCSTLUJUSJLN-STQMWFEESA-N	1	1	372.860	2.954	20	30		FEEDMO
COc1ccc([C@@H](CNS(=O)(=O)[C@@H](C)C#N)[NH+]2CCCCC2)cc1	ZINC000510778710	561846177	/nfs/dbraw/zinc/84/61/77/561846177.db2.gz	OKAMUNNNJAFNOJ-WMLDXEAASA-N	1	1	351.472	2.054	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@H]1C	ZINC000611599744	554652514	/nfs/dbraw/zinc/65/25/14/554652514.db2.gz	JPAXYXOEAZJANQ-CYBMUJFWSA-N	1	1	356.405	2.441	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@]4(CC[C@H](C)C4)C3)CC2)o1	ZINC000360682892	554885170	/nfs/dbraw/zinc/88/51/70/554885170.db2.gz	WSJYFKPWUZVCGP-YWZLYKJASA-N	1	1	371.485	2.015	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1	ZINC000360721913	554887001	/nfs/dbraw/zinc/88/70/01/554887001.db2.gz	RNHWOROMNFEXEW-ICSRJNTNSA-N	1	1	371.481	2.477	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1	ZINC000360721913	554887002	/nfs/dbraw/zinc/88/70/02/554887002.db2.gz	RNHWOROMNFEXEW-ICSRJNTNSA-N	1	1	371.481	2.477	20	30		FEEDMO
CC[N@H+]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@@H](C)C1	ZINC000511605282	561874232	/nfs/dbraw/zinc/87/42/32/561874232.db2.gz	JOAWXKMRFIMMKR-HNNXBMFYSA-N	1	1	367.415	2.199	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1	ZINC000511630229	561875294	/nfs/dbraw/zinc/87/52/94/561875294.db2.gz	RZAMGLQIGXBBMQ-DZGCQCFKSA-N	1	1	355.360	2.380	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000363034003	555014975	/nfs/dbraw/zinc/01/49/75/555014975.db2.gz	GGFODHBANCOCQR-HUUCEWRRSA-N	1	1	372.494	2.374	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N(C)Cc2cccc(C#N)c2)cn1	ZINC000363108064	555032318	/nfs/dbraw/zinc/03/23/18/555032318.db2.gz	PXGKTGYTYQVPMR-UHFFFAOYSA-N	1	1	374.404	2.045	20	30		FEEDMO
C[NH+](C)Cc1cnc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1	ZINC000511954814	561886816	/nfs/dbraw/zinc/88/68/16/561886816.db2.gz	MDXMSFNUGSNOCI-KRWDZBQOSA-N	1	1	369.494	2.362	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1	ZINC000363584575	555141760	/nfs/dbraw/zinc/14/17/60/555141760.db2.gz	YNZFKVSEOQQLFF-INIZCTEOSA-N	1	1	359.470	2.384	20	30		FEEDMO
CC(C)C[N@H+]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000363638079	555152469	/nfs/dbraw/zinc/15/24/69/555152469.db2.gz	PTSOCJUGPPHWER-UHFFFAOYSA-N	1	1	366.469	2.130	20	30		FEEDMO
C=CCN(C[C@@H](C)CS(C)(=O)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363946231	555219740	/nfs/dbraw/zinc/21/97/40/555219740.db2.gz	BZPQQWBUKPUWKK-MJGOQNOKSA-N	1	1	350.528	2.430	20	30		FEEDMO
C=CCN(C[C@@H](C)CS(C)(=O)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363946231	555219742	/nfs/dbraw/zinc/21/97/42/555219742.db2.gz	BZPQQWBUKPUWKK-MJGOQNOKSA-N	1	1	350.528	2.430	20	30		FEEDMO
COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cn4ccccc4c3C#N)C2)nn1	ZINC000364007699	555232311	/nfs/dbraw/zinc/23/23/11/555232311.db2.gz	WZVGILMHBVMLSI-HNNXBMFYSA-N	1	1	364.409	2.026	20	30		FEEDMO
COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cn4ccccc4c3C#N)C2)nn1	ZINC000364007699	555232312	/nfs/dbraw/zinc/23/23/12/555232312.db2.gz	WZVGILMHBVMLSI-HNNXBMFYSA-N	1	1	364.409	2.026	20	30		FEEDMO
CN(C(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000364154503	555259513	/nfs/dbraw/zinc/25/95/13/555259513.db2.gz	FHVWRTJUGLDRRN-HXUWFJFHSA-N	1	1	366.509	2.217	20	30		FEEDMO
CN(C(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000364154503	555259514	/nfs/dbraw/zinc/25/95/14/555259514.db2.gz	FHVWRTJUGLDRRN-HXUWFJFHSA-N	1	1	366.509	2.217	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCCN(C(=O)c2ccco2)CC1	ZINC000364549214	555335047	/nfs/dbraw/zinc/33/50/47/555335047.db2.gz	KNKFIVQAWLZVIL-UHFFFAOYSA-N	1	1	372.450	2.389	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCCN(C(=O)c2ccco2)CC1	ZINC000364549214	555335049	/nfs/dbraw/zinc/33/50/49/555335049.db2.gz	KNKFIVQAWLZVIL-UHFFFAOYSA-N	1	1	372.450	2.389	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)CC1	ZINC000512450305	561905488	/nfs/dbraw/zinc/90/54/88/561905488.db2.gz	QRHVDDUEIOMCFL-RTWAWAEBSA-N	1	1	368.525	2.386	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1	ZINC000364626673	555356442	/nfs/dbraw/zinc/35/64/42/555356442.db2.gz	LFMARGLWGLVIBB-ROUUACIJSA-N	1	1	362.518	2.109	20	30		FEEDMO
C=CCNc1ncc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)s1	ZINC000364671259	555369811	/nfs/dbraw/zinc/36/98/11/555369811.db2.gz	KOIXEHAYCGXQNS-RDJZCZTQSA-N	1	1	371.510	2.901	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)cc1Cl	ZINC000364795534	555405047	/nfs/dbraw/zinc/40/50/47/555405047.db2.gz	YNWFYFRKTYLZCK-QGZVFWFLSA-N	1	1	362.817	2.115	20	30		FEEDMO
C[C@H](CO)[N@H+]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000365004029	555462564	/nfs/dbraw/zinc/46/25/64/555462564.db2.gz	WFIFHCAVKYLOLT-GFCCVEGCSA-N	1	1	368.384	2.080	20	30		FEEDMO
COCC[N@@H+](C)CC[C@@H](NC(=O)c1cnccc1C#N)c1ccccc1	ZINC000513198883	561929219	/nfs/dbraw/zinc/92/92/19/561929219.db2.gz	JFNZYFLQUBJVHG-LJQANCHMSA-N	1	1	352.438	2.393	20	30		FEEDMO
CN(C)c1nc(N2CCN(C(=O)c3cc(C#N)ccc3Cl)CC2)cc[nH+]1	ZINC000513285571	561932369	/nfs/dbraw/zinc/93/23/69/561932369.db2.gz	ADSLLKNTVQHIOR-UHFFFAOYSA-N	1	1	370.844	2.030	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1c(F)cc(C#N)cc1F	ZINC000365959306	555711365	/nfs/dbraw/zinc/71/13/65/555711365.db2.gz	IQTDRAAYHNYREN-HACGYAERSA-N	1	1	363.408	2.456	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)ccc1F	ZINC000366203487	555780795	/nfs/dbraw/zinc/78/07/95/555780795.db2.gz	KSTWGUIQKKSQMG-FXAWDEMLSA-N	1	1	367.424	2.310	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cn1	ZINC000366308642	555808336	/nfs/dbraw/zinc/80/83/36/555808336.db2.gz	BKGMEDKEUVMZEZ-LJQANCHMSA-N	1	1	370.416	2.446	20	30		FEEDMO
Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c1C	ZINC000366341101	555815894	/nfs/dbraw/zinc/81/58/94/555815894.db2.gz	RTPOOCRGERWANG-OAHLLOKOSA-N	1	1	352.442	2.431	20	30		FEEDMO
C=CCOc1cccc(CNc2nc(N3CCn4cnnc4C3)cc[nH+]2)c1	ZINC000366438413	555843649	/nfs/dbraw/zinc/84/36/49/555843649.db2.gz	YZXFIVSGEPXESE-UHFFFAOYSA-N	1	1	363.425	2.265	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@]12CCOC2)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000366942572	555978130	/nfs/dbraw/zinc/97/81/30/555978130.db2.gz	FEYKMMVVRCYNMQ-GOSISDBHSA-N	1	1	366.383	2.428	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(C#N)c1C	ZINC000367018824	555999216	/nfs/dbraw/zinc/99/92/16/555999216.db2.gz	CTTROXJFMLDDBB-DZGCQCFKSA-N	1	1	360.483	2.166	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(C#N)c1C	ZINC000367018824	555999218	/nfs/dbraw/zinc/99/92/18/555999218.db2.gz	CTTROXJFMLDDBB-DZGCQCFKSA-N	1	1	360.483	2.166	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@]1(C#N)CCc2ccccc2C1	ZINC000367298231	556011751	/nfs/dbraw/zinc/01/17/51/556011751.db2.gz	BRHNVLQFSVRWDY-NRFANRHFSA-N	1	1	356.514	2.027	20	30		FEEDMO
CN(CCCN(C)C(=O)[C@@]1(C#N)CCc2ccccc2C1)CC[NH+](C)C	ZINC000367298231	556011754	/nfs/dbraw/zinc/01/17/54/556011754.db2.gz	BRHNVLQFSVRWDY-NRFANRHFSA-N	1	1	356.514	2.027	20	30		FEEDMO
COC(=O)c1ccoc1CC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000367337190	556021580	/nfs/dbraw/zinc/02/15/80/556021580.db2.gz	YCHGYCXIOUVTDX-FQEVSTJZSA-N	1	1	373.453	2.129	20	30		FEEDMO
C=CCN=c1[nH]cc(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)s1	ZINC000622059766	556215115	/nfs/dbraw/zinc/21/51/15/556215115.db2.gz	APJBVZMLMWJEGY-CYBMUJFWSA-N	1	1	350.488	2.066	20	30		FEEDMO
N#Cc1cc(NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc(N)c1[N+](=O)[O-]	ZINC000368547146	556342150	/nfs/dbraw/zinc/34/21/50/556342150.db2.gz	ZYXZAMLETIILLY-IRXDYDNUSA-N	1	1	367.409	2.096	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1	ZINC000368618053	556364330	/nfs/dbraw/zinc/36/43/30/556364330.db2.gz	ISBQBQMEHKIKDA-GOSISDBHSA-N	1	1	372.513	2.219	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1	ZINC000368618053	556364335	/nfs/dbraw/zinc/36/43/35/556364335.db2.gz	ISBQBQMEHKIKDA-GOSISDBHSA-N	1	1	372.513	2.219	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)nn1-c1cccc(C#N)c1	ZINC000368800882	556416348	/nfs/dbraw/zinc/41/63/48/556416348.db2.gz	SWNHKEFTTJSULB-AEFFLSMTSA-N	1	1	364.453	2.610	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c(F)c1	ZINC000368884661	556438613	/nfs/dbraw/zinc/43/86/13/556438613.db2.gz	VSDKANBUGWCIRN-IAGOWNOFSA-N	1	1	371.460	2.156	20	30		FEEDMO
N#Cc1ccc(C[C@H](C#N)C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1	ZINC000369137717	556513767	/nfs/dbraw/zinc/51/37/67/556513767.db2.gz	DAQQGSACYGUOKZ-GOSISDBHSA-N	1	1	364.474	2.477	20	30		FEEDMO
N#Cc1ccc(C[C@H](C#N)C(=O)NCC[N@H+]2CCc3sccc3C2)cc1	ZINC000369137717	556513770	/nfs/dbraw/zinc/51/37/70/556513770.db2.gz	DAQQGSACYGUOKZ-GOSISDBHSA-N	1	1	364.474	2.477	20	30		FEEDMO
CCn1nccc1C1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000369301986	556568740	/nfs/dbraw/zinc/56/87/40/556568740.db2.gz	GQMGAUYXLROGAW-UHFFFAOYSA-N	1	1	351.454	2.270	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCc2sc(C)nc21	ZINC000369556393	556630565	/nfs/dbraw/zinc/63/05/65/556630565.db2.gz	LTZWGUOGMFQYNH-YPMHNXCESA-N	1	1	350.488	2.204	20	30		FEEDMO
C#CCNC(=O)c1ccc(NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)nc1	ZINC000369561387	556631598	/nfs/dbraw/zinc/63/15/98/556631598.db2.gz	PAUPTKKTTRXFGP-KSSFIOAISA-N	1	1	354.479	2.611	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000516243640	562037078	/nfs/dbraw/zinc/03/70/78/562037078.db2.gz	TXCVEILKMJDECJ-DNVCBOLYSA-N	1	1	352.438	2.214	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000516243640	562037080	/nfs/dbraw/zinc/03/70/80/562037080.db2.gz	TXCVEILKMJDECJ-DNVCBOLYSA-N	1	1	352.438	2.214	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1	ZINC000370246361	556820903	/nfs/dbraw/zinc/82/09/03/556820903.db2.gz	FCUKKKDBCSHNTE-QGZVFWFLSA-N	1	1	355.486	2.380	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(CC#N)c2)CC1=O	ZINC000517014116	562071082	/nfs/dbraw/zinc/07/10/82/562071082.db2.gz	IVUINMMPQUUSMJ-FUHWJXTLSA-N	1	1	354.454	2.024	20	30		FEEDMO
N#Cc1ccc(F)c(CNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c1	ZINC000371213124	557109025	/nfs/dbraw/zinc/10/90/25/557109025.db2.gz	QSMCDSWZDGPOTJ-QZTJIDSGSA-N	1	1	360.433	2.140	20	30		FEEDMO
C=C(C)COc1cc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)ccc1OC	ZINC000371327626	557147205	/nfs/dbraw/zinc/14/72/05/557147205.db2.gz	OHPGWSGQAUYQSG-MRXNPFEDSA-N	1	1	368.499	2.164	20	30		FEEDMO
C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)NC)C2)ccc1OC	ZINC000371327626	557147206	/nfs/dbraw/zinc/14/72/06/557147206.db2.gz	OHPGWSGQAUYQSG-MRXNPFEDSA-N	1	1	368.499	2.164	20	30		FEEDMO
CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000517557007	562092538	/nfs/dbraw/zinc/09/25/38/562092538.db2.gz	UNDMQRYFBUVXLP-DOTOQJQBSA-N	1	1	355.442	2.138	20	30		FEEDMO
CCc1nn(C)c(CC)c1C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000371469018	557190426	/nfs/dbraw/zinc/19/04/26/557190426.db2.gz	CMZZRZGQWWVZOC-SZNDQCEHSA-N	1	1	363.465	2.390	20	30		FEEDMO
CCc1nn(C)c(CC)c1C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000371469018	557190430	/nfs/dbraw/zinc/19/04/30/557190430.db2.gz	CMZZRZGQWWVZOC-SZNDQCEHSA-N	1	1	363.465	2.390	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C2CC2)CC1	ZINC000371470299	557190867	/nfs/dbraw/zinc/19/08/67/557190867.db2.gz	KNYAASKVMBPPIE-SJORKVTESA-N	1	1	358.511	2.331	20	30		FEEDMO
N#C[C@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)C[C@]12C(=O)Nc1ccccc12	ZINC000371470485	557191175	/nfs/dbraw/zinc/19/11/75/557191175.db2.gz	LTWGSNOIQNOATD-KKSFZXQISA-N	1	1	370.416	2.113	20	30		FEEDMO
N#C[C@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@]12C(=O)Nc1ccccc12	ZINC000371470485	557191180	/nfs/dbraw/zinc/19/11/80/557191180.db2.gz	LTWGSNOIQNOATD-KKSFZXQISA-N	1	1	370.416	2.113	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OC2CCOCC2)CC1	ZINC000371760229	557285510	/nfs/dbraw/zinc/28/55/10/557285510.db2.gz	YJEINZWEPZXDRD-INIZCTEOSA-N	1	1	363.502	2.378	20	30		FEEDMO
CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000371828957	557305620	/nfs/dbraw/zinc/30/56/20/557305620.db2.gz	OOIJBSIZKQUKCG-QWRGUYRKSA-N	1	1	357.439	2.176	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000371843063	557309628	/nfs/dbraw/zinc/30/96/28/557309628.db2.gz	QEAJOLMTPRYMFF-SJLPKXTDSA-N	1	1	357.502	2.325	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3cc(C)ncc3C#N)C2)CC1	ZINC000518364482	562109754	/nfs/dbraw/zinc/10/97/54/562109754.db2.gz	ZIHMNVQCMOLHJY-SFHVURJKSA-N	1	1	355.486	2.032	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000518381151	562110164	/nfs/dbraw/zinc/11/01/64/562110164.db2.gz	ISPOTSDUCYXERM-GOSISDBHSA-N	1	1	357.458	2.068	20	30		FEEDMO
Cn1cc([C@@H]2[C@H](CNC(=O)c3c(F)cc(C#N)cc3F)CCC[N@H+]2C)cn1	ZINC000371897223	557323672	/nfs/dbraw/zinc/32/36/72/557323672.db2.gz	KMXHRTLKDPSYLC-UGSOOPFHSA-N	1	1	373.407	2.383	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000372341413	557444830	/nfs/dbraw/zinc/44/48/30/557444830.db2.gz	BSFIYBCRFRYNMZ-MDASCCDHSA-N	1	1	354.454	2.124	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc1	ZINC000372434790	557469818	/nfs/dbraw/zinc/46/98/18/557469818.db2.gz	FJILUYCZEUTCRP-QFBILLFUSA-N	1	1	357.454	2.191	20	30		FEEDMO
C=CCN(C(=O)NCc1nccn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372471362	557479401	/nfs/dbraw/zinc/47/94/01/557479401.db2.gz	IEONAQPKNUKBPM-GOSISDBHSA-N	1	1	353.470	2.392	20	30		FEEDMO
CC(C)(O)C[N@H+]1CCCN(C(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000372559425	557505158	/nfs/dbraw/zinc/50/51/58/557505158.db2.gz	ZZKLOUMOSCWQBE-UHFFFAOYSA-N	1	1	361.511	2.097	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000519620420	562137314	/nfs/dbraw/zinc/13/73/14/562137314.db2.gz	JJOVNNMSAAGIAT-INIZCTEOSA-N	1	1	358.467	2.240	20	30		FEEDMO
CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)C2)o1	ZINC000372814167	557567407	/nfs/dbraw/zinc/56/74/07/557567407.db2.gz	YKXLPYGUGHSVAV-MRXNPFEDSA-N	1	1	355.442	2.070	20	30		FEEDMO
CCc1cnc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)o1	ZINC000372814167	557567411	/nfs/dbraw/zinc/56/74/11/557567411.db2.gz	YKXLPYGUGHSVAV-MRXNPFEDSA-N	1	1	355.442	2.070	20	30		FEEDMO
COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1	ZINC000373100243	557628309	/nfs/dbraw/zinc/62/83/09/557628309.db2.gz	QWQNTWAESXCZCD-INIZCTEOSA-N	1	1	359.536	2.079	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1	ZINC000373369286	557680776	/nfs/dbraw/zinc/68/07/76/557680776.db2.gz	MWZJBJHXRQDIBC-LMWLFIIJSA-N	1	1	361.530	2.127	20	30		FEEDMO
CC(C)[C@H](NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccccc1	ZINC000373404371	557687525	/nfs/dbraw/zinc/68/75/25/557687525.db2.gz	LBLMPQZCVRXAIT-FQEVSTJZSA-N	1	1	366.469	2.300	20	30		FEEDMO
C#CC[C@H](C)NC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000373806240	557763467	/nfs/dbraw/zinc/76/34/67/557763467.db2.gz	JQNNPIKSYLSXEK-JKSUJKDBSA-N	1	1	351.491	2.236	20	30		FEEDMO
C#CC[C@H](C)NC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000373806240	557763470	/nfs/dbraw/zinc/76/34/70/557763470.db2.gz	JQNNPIKSYLSXEK-JKSUJKDBSA-N	1	1	351.491	2.236	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1	ZINC000374306500	557862594	/nfs/dbraw/zinc/86/25/94/557862594.db2.gz	DWPVLIFMQUKDKD-MDASCCDHSA-N	1	1	367.453	2.207	20	30		FEEDMO
COc1ccc([C@H](O)[C@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1	ZINC000374398188	557878925	/nfs/dbraw/zinc/87/89/25/557878925.db2.gz	HQWCTYOXJAUIEX-HOJAQTOUSA-N	1	1	359.470	2.247	20	30		FEEDMO
COc1ccc([C@H](O)[C@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1	ZINC000374398188	557878926	/nfs/dbraw/zinc/87/89/26/557878926.db2.gz	HQWCTYOXJAUIEX-HOJAQTOUSA-N	1	1	359.470	2.247	20	30		FEEDMO
CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1	ZINC000374818192	557935952	/nfs/dbraw/zinc/93/59/52/557935952.db2.gz	JHQZRVRGPZZRAR-HNNXBMFYSA-N	1	1	359.455	2.032	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2	ZINC000375016696	557964900	/nfs/dbraw/zinc/96/49/00/557964900.db2.gz	FUIGJNHFNXQENE-HNNXBMFYSA-N	1	1	351.491	2.400	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1	ZINC000375291407	558005148	/nfs/dbraw/zinc/00/51/48/558005148.db2.gz	GVXRYTGDFFGQMF-UHFFFAOYSA-N	1	1	350.413	2.239	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@@]12C(=O)Nc1ccccc12	ZINC000375609334	558056434	/nfs/dbraw/zinc/05/64/34/558056434.db2.gz	YQQBXMBSEUZTJJ-IIBYNOLFSA-N	1	1	364.449	2.432	20	30		FEEDMO
N#C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)C[C@@]12C(=O)Nc1ccccc12	ZINC000375609334	558056436	/nfs/dbraw/zinc/05/64/36/558056436.db2.gz	YQQBXMBSEUZTJJ-IIBYNOLFSA-N	1	1	364.449	2.432	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)n1	ZINC000375816511	558084200	/nfs/dbraw/zinc/08/42/00/558084200.db2.gz	RWFJPDKWUNZJJH-QGZVFWFLSA-N	1	1	352.442	2.260	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1	ZINC000375964840	558106324	/nfs/dbraw/zinc/10/63/24/558106324.db2.gz	VYOUYUSOLZSLQP-SPYBWZPUSA-N	1	1	355.442	2.207	20	30		FEEDMO
C#CC[C@@H](NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1	ZINC000376208080	558141081	/nfs/dbraw/zinc/14/10/81/558141081.db2.gz	CFARIUKQPVNEKA-VQTJNVASSA-N	1	1	354.498	2.172	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000376333224	558159116	/nfs/dbraw/zinc/15/91/16/558159116.db2.gz	MZJBKIQINLHFMW-IAGOWNOFSA-N	1	1	357.454	2.152	20	30		FEEDMO
CC(C)(CCC#N)CNC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000377034521	558254108	/nfs/dbraw/zinc/25/41/08/558254108.db2.gz	PJYDDSYLXLXEED-ZWKOTPCHSA-N	1	1	358.486	2.251	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1	ZINC000377310600	558312255	/nfs/dbraw/zinc/31/22/55/558312255.db2.gz	LFYDFQAYJPILIK-FUHWJXTLSA-N	1	1	350.484	2.021	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000377578683	558370026	/nfs/dbraw/zinc/37/00/26/558370026.db2.gz	AJAVVTZMWFFLAZ-HZPDHXFCSA-N	1	1	358.442	2.330	20	30		FEEDMO
Cc1nnc([C@@H]2CC23CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC3)o1	ZINC000377615370	558377777	/nfs/dbraw/zinc/37/77/77/558377777.db2.gz	OFMPFOHJWQMMFB-INIZCTEOSA-N	1	1	351.410	2.458	20	30		FEEDMO
CCc1nc(CN2CCC[C@H]([N@@H+](C)C[C@H](O)c3ccc(C#N)cc3)C2)no1	ZINC000378142237	558489923	/nfs/dbraw/zinc/48/99/23/558489923.db2.gz	LTLVYFOLRPAXBZ-ROUUACIJSA-N	1	1	369.469	2.133	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000523496960	562214251	/nfs/dbraw/zinc/21/42/51/562214251.db2.gz	LNFOWGJIXIZEHN-WMLDXEAASA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000523496960	562214252	/nfs/dbraw/zinc/21/42/52/562214252.db2.gz	LNFOWGJIXIZEHN-WMLDXEAASA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)s1	ZINC000389986171	558610327	/nfs/dbraw/zinc/61/03/27/558610327.db2.gz	MEQAXSWMDHQVNI-CZUORRHYSA-N	1	1	361.492	2.419	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)s1	ZINC000389986171	558610328	/nfs/dbraw/zinc/61/03/28/558610328.db2.gz	MEQAXSWMDHQVNI-CZUORRHYSA-N	1	1	361.492	2.419	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)c(F)c1	ZINC000523818309	562220447	/nfs/dbraw/zinc/22/04/47/562220447.db2.gz	ZKGQPNWSHQJIOR-HKUYNNGSSA-N	1	1	371.460	2.156	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)n1cnc(C#N)n1	ZINC000409458572	558694132	/nfs/dbraw/zinc/69/41/32/558694132.db2.gz	IASSKIMLSIFNES-CVEARBPZSA-N	1	1	366.469	2.259	20	30		FEEDMO
C[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)n1cnc(C#N)n1	ZINC000409459521	558694210	/nfs/dbraw/zinc/69/42/10/558694210.db2.gz	RTGPQPBHQNQWHR-JKSUJKDBSA-N	1	1	366.469	2.402	20	30		FEEDMO
C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)n1cnc(C#N)n1	ZINC000409461922	558694525	/nfs/dbraw/zinc/69/45/25/558694525.db2.gz	AYDBPKVIEWNZEU-HZPDHXFCSA-N	1	1	366.469	2.402	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000409491765	558697141	/nfs/dbraw/zinc/69/71/41/558697141.db2.gz	RIGNKTLSDNVGCX-IRXDYDNUSA-N	1	1	364.515	2.062	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000409491765	558697144	/nfs/dbraw/zinc/69/71/44/558697144.db2.gz	RIGNKTLSDNVGCX-IRXDYDNUSA-N	1	1	364.515	2.062	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1=O	ZINC000410108734	558739118	/nfs/dbraw/zinc/73/91/18/558739118.db2.gz	XTWMWPMMKBYYLR-MJGOQNOKSA-N	1	1	373.472	2.283	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1	ZINC000410821734	558814376	/nfs/dbraw/zinc/81/43/76/558814376.db2.gz	CNCCGXGSJLBEKK-SFHVURJKSA-N	1	1	373.497	2.027	20	30		FEEDMO
CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2	ZINC000525274892	562244791	/nfs/dbraw/zinc/24/47/91/562244791.db2.gz	QLSHFZTTYGZYRI-DLBZAZTESA-N	1	1	368.437	2.360	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000411672077	558940651	/nfs/dbraw/zinc/94/06/51/558940651.db2.gz	MUZNPMYBIJEANU-AWEZNQCLSA-N	1	1	362.861	2.193	20	30		FEEDMO
CC(C)([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1nnc2n1CCCC2	ZINC000411778132	558960908	/nfs/dbraw/zinc/96/09/08/558960908.db2.gz	BLFUQTQAOJBCGA-UHFFFAOYSA-N	1	1	352.442	2.340	20	30		FEEDMO
CC(C)[N@@H+](CC(=O)Nc1ccccc1SCC#N)C[C@H]1CCC(=O)N1	ZINC000412063538	559008747	/nfs/dbraw/zinc/00/87/47/559008747.db2.gz	BODKARLJQIPCQS-CQSZACIVSA-N	1	1	360.483	2.230	20	30		FEEDMO
CC(C)[N@H+](CC(=O)Nc1ccccc1SCC#N)C[C@H]1CCC(=O)N1	ZINC000412063538	559008748	/nfs/dbraw/zinc/00/87/48/559008748.db2.gz	BODKARLJQIPCQS-CQSZACIVSA-N	1	1	360.483	2.230	20	30		FEEDMO
CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1CCC(=O)N1	ZINC000412076104	559010586	/nfs/dbraw/zinc/01/05/86/559010586.db2.gz	KSPOQHQAWKFCFX-ZDUSSCGKSA-N	1	1	374.510	2.426	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](CO)[C@H]2C)cc1	ZINC000412095558	559012775	/nfs/dbraw/zinc/01/27/75/559012775.db2.gz	XXDTVEQRNMUUFQ-IAGOWNOFSA-N	1	1	359.470	2.425	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(O)(Cc2cccc(F)c2)CC1	ZINC000526058001	562265456	/nfs/dbraw/zinc/26/54/56/562265456.db2.gz	WNNOHXZPFJMKRO-OAHLLOKOSA-N	1	1	359.445	2.146	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(CNc3ncc(C#N)cc3F)cc2)CC1	ZINC000413067496	559074748	/nfs/dbraw/zinc/07/47/48/559074748.db2.gz	WNTVZIGJRBEVBT-UHFFFAOYSA-N	1	1	353.401	2.092	20	30		FEEDMO
COCC(COC)[NH+]1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1	ZINC000413481518	559111061	/nfs/dbraw/zinc/11/10/61/559111061.db2.gz	UJLANPUNSDREHJ-UHFFFAOYSA-N	1	1	357.376	2.360	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000416684754	559329582	/nfs/dbraw/zinc/32/95/82/559329582.db2.gz	LRNNGTVMXFFVLB-MJGOQNOKSA-N	1	1	356.470	2.346	20	30		FEEDMO
C[C@@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)CN1CC[NH+](C)CC1	ZINC000416688320	559329863	/nfs/dbraw/zinc/32/98/63/559329863.db2.gz	PABOJIAUIACLEO-JXFKEZNVSA-N	1	1	369.513	2.118	20	30		FEEDMO
CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1n1cccn1	ZINC000419299595	559435869	/nfs/dbraw/zinc/43/58/69/559435869.db2.gz	YVCYNOLXUKSASM-BSDSXHPESA-N	1	1	367.453	2.068	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000419327458	559437404	/nfs/dbraw/zinc/43/74/04/559437404.db2.gz	CZZJJRGNCIKBAD-GJZGRUSLSA-N	1	1	356.388	2.324	20	30		FEEDMO
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@H]1CCC[N@@H+]1CCCO	ZINC000419604955	559449624	/nfs/dbraw/zinc/44/96/24/559449624.db2.gz	CZJHYIPUSGZYEV-IEBWSBKVSA-N	1	1	356.470	2.082	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1cccc(Br)c1C#N	ZINC000420734523	559501189	/nfs/dbraw/zinc/50/11/89/559501189.db2.gz	JIRKRSHMRAQZSB-LLVKDONJSA-N	1	1	372.288	2.035	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000420757855	559502670	/nfs/dbraw/zinc/50/26/70/559502670.db2.gz	CAKSGLHQAJIQBX-ZDUSSCGKSA-N	1	1	361.389	2.292	20	30		FEEDMO
CNC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	ZINC000420976572	559516031	/nfs/dbraw/zinc/51/60/31/559516031.db2.gz	PKZDKDBBVZUHGR-UONOGXRCSA-N	1	1	360.483	2.087	20	30		FEEDMO
CNC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	ZINC000420976572	559516032	/nfs/dbraw/zinc/51/60/32/559516032.db2.gz	PKZDKDBBVZUHGR-UONOGXRCSA-N	1	1	360.483	2.087	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(C#N)cn1CC	ZINC000421166044	559528185	/nfs/dbraw/zinc/52/81/85/559528185.db2.gz	OGPDZLCDISZBMC-HUUCEWRRSA-N	1	1	373.457	2.305	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C#N)cn1CC	ZINC000421179333	559529270	/nfs/dbraw/zinc/52/92/70/559529270.db2.gz	ZTNIZCXDALJDSP-GXTWGEPZSA-N	1	1	361.446	2.161	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1	ZINC000422015691	559560859	/nfs/dbraw/zinc/56/08/59/559560859.db2.gz	HKDFVGWYYAMRCG-HXUWFJFHSA-N	1	1	351.535	2.234	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1	ZINC000422015691	559560860	/nfs/dbraw/zinc/56/08/60/559560860.db2.gz	HKDFVGWYYAMRCG-HXUWFJFHSA-N	1	1	351.535	2.234	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1	ZINC000422307697	559577350	/nfs/dbraw/zinc/57/73/50/559577350.db2.gz	OMHFXMXLRJNVJM-AEFFLSMTSA-N	1	1	370.497	2.212	20	30		FEEDMO
CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422309034	559577618	/nfs/dbraw/zinc/57/76/18/559577618.db2.gz	KMJUMWQDRGJAAA-HNNXBMFYSA-N	1	1	350.507	2.059	20	30		FEEDMO
CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NCC(C)(C)CC#N	ZINC000422396019	559584852	/nfs/dbraw/zinc/58/48/52/559584852.db2.gz	HWWPPJBESXRTMJ-SFHVURJKSA-N	1	1	372.513	2.315	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000422536672	559593548	/nfs/dbraw/zinc/59/35/48/559593548.db2.gz	DDSLCNHCZPBYKK-UHOSZYNNSA-N	1	1	357.498	2.231	20	30		FEEDMO
C=CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)nn1	ZINC000424643509	559672157	/nfs/dbraw/zinc/67/21/57/559672157.db2.gz	LMTGEIMIRDGRAS-GOSISDBHSA-N	1	1	353.470	2.149	20	30		FEEDMO
C=CCC1(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCOCC1	ZINC000424753840	559675716	/nfs/dbraw/zinc/67/57/16/559675716.db2.gz	BYXCSVUEHNIWAS-LJQANCHMSA-N	1	1	358.482	2.242	20	30		FEEDMO
C[C@@H](CNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1)CN1CC[NH+](C)CC1	ZINC000425468433	559703766	/nfs/dbraw/zinc/70/37/66/559703766.db2.gz	DOXNWYOZOAJBSE-IRXDYDNUSA-N	1	1	357.502	2.144	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1	ZINC000425610365	559711565	/nfs/dbraw/zinc/71/15/65/559711565.db2.gz	LTXHHFQQJJYPIR-ZWKOTPCHSA-N	1	1	350.507	2.459	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)cc1	ZINC000425613831	559711673	/nfs/dbraw/zinc/71/16/73/559711673.db2.gz	UBPHVTKDIDZBCS-RBUKOAKNSA-N	1	1	351.454	2.468	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NC1CC[NH+](CCN(C)C)CC1	ZINC000425652555	559713134	/nfs/dbraw/zinc/71/31/34/559713134.db2.gz	NSDWQFVZVYYFAV-INIZCTEOSA-N	1	1	357.502	2.287	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1	ZINC000425810349	559720633	/nfs/dbraw/zinc/72/06/33/559720633.db2.gz	LUIXUXLESYKAMP-AZUAARDMSA-N	1	1	374.444	2.230	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)nn1	ZINC000425874731	559723603	/nfs/dbraw/zinc/72/36/03/559723603.db2.gz	LPGVEUZCYMMBGN-UHFFFAOYSA-N	1	1	356.474	2.174	20	30		FEEDMO
N#Cc1cccc(F)c1CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1	ZINC000428547701	559777766	/nfs/dbraw/zinc/77/77/66/559777766.db2.gz	NOQCMOAZZVALAU-QGZVFWFLSA-N	1	1	353.397	2.445	20	30		FEEDMO
Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428816813	559784004	/nfs/dbraw/zinc/78/40/04/559784004.db2.gz	JMGVUULFBAUHPL-LPHOPBHVSA-N	1	1	364.449	2.420	20	30		FEEDMO
Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428816813	559784005	/nfs/dbraw/zinc/78/40/05/559784005.db2.gz	JMGVUULFBAUHPL-LPHOPBHVSA-N	1	1	364.449	2.420	20	30		FEEDMO
C=CCN(CCC#N)CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1	ZINC000428872483	559785310	/nfs/dbraw/zinc/78/53/10/559785310.db2.gz	NMOHRZZOSOWLIX-UHFFFAOYSA-N	1	1	370.497	2.131	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1	ZINC000430280767	559816947	/nfs/dbraw/zinc/81/69/47/559816947.db2.gz	QMIJTXZTVOQOCK-LIRRHRJNSA-N	1	1	374.510	2.335	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1	ZINC000430280767	559816948	/nfs/dbraw/zinc/81/69/48/559816948.db2.gz	QMIJTXZTVOQOCK-LIRRHRJNSA-N	1	1	374.510	2.335	20	30		FEEDMO
CN(C(=O)[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1)c1ccccc1	ZINC000430309717	559817541	/nfs/dbraw/zinc/81/75/41/559817541.db2.gz	XAKYALBAKCIOQA-IEBWSBKVSA-N	1	1	362.433	2.070	20	30		FEEDMO
CN(C(=O)[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1)c1ccccc1	ZINC000430309717	559817542	/nfs/dbraw/zinc/81/75/42/559817542.db2.gz	XAKYALBAKCIOQA-IEBWSBKVSA-N	1	1	362.433	2.070	20	30		FEEDMO
COC(=O)c1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c[nH]1	ZINC000431679740	559843809	/nfs/dbraw/zinc/84/38/09/559843809.db2.gz	RPQJHISMJMXUCC-UHFFFAOYSA-N	1	1	366.421	2.021	20	30		FEEDMO
COC(=O)c1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c[nH]1	ZINC000431679740	559843810	/nfs/dbraw/zinc/84/38/10/559843810.db2.gz	RPQJHISMJMXUCC-UHFFFAOYSA-N	1	1	366.421	2.021	20	30		FEEDMO
C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC[N@@H+]1C	ZINC000433873208	559889257	/nfs/dbraw/zinc/88/92/57/559889257.db2.gz	CSAGOEQKWFLVNP-QMTHXVAHSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC[N@H+]1C	ZINC000433873208	559889258	/nfs/dbraw/zinc/88/92/58/559889258.db2.gz	CSAGOEQKWFLVNP-QMTHXVAHSA-N	1	1	372.288	2.082	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c(-c2ccncc2)n1	ZINC000435132563	559916990	/nfs/dbraw/zinc/91/69/90/559916990.db2.gz	KGBICHVRHOWCEX-KRWDZBQOSA-N	1	1	352.442	2.089	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000435150861	559917193	/nfs/dbraw/zinc/91/71/93/559917193.db2.gz	UPPOZWDUEVVORG-FQEVSTJZSA-N	1	1	368.412	2.456	20	30		FEEDMO
CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000435153542	559917296	/nfs/dbraw/zinc/91/72/96/559917296.db2.gz	KONMDKXJXDDWGB-ZDUSSCGKSA-N	1	1	373.400	2.434	20	30		FEEDMO
CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000435153542	559917297	/nfs/dbraw/zinc/91/72/97/559917297.db2.gz	KONMDKXJXDDWGB-ZDUSSCGKSA-N	1	1	373.400	2.434	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+](CCC(N)=O)Cc2ccccc2)c1	ZINC000438763289	559983254	/nfs/dbraw/zinc/98/32/54/559983254.db2.gz	ADRXGYQPSHIUMI-UHFFFAOYSA-N	1	1	350.422	2.264	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+](CCO)[C@@H]2CCCSC2)cc1Cl	ZINC000439016326	559987187	/nfs/dbraw/zinc/98/71/87/559987187.db2.gz	CRIXOYXQZJLIJQ-CQSZACIVSA-N	1	1	353.875	2.340	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+](CCO)[C@@H]2CCCSC2)cc1Cl	ZINC000439016326	559987188	/nfs/dbraw/zinc/98/71/88/559987188.db2.gz	CRIXOYXQZJLIJQ-CQSZACIVSA-N	1	1	353.875	2.340	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCC1CCC(C#N)CC1	ZINC000442729444	560055384	/nfs/dbraw/zinc/05/53/84/560055384.db2.gz	NHDCGLCKANDZPW-UHFFFAOYSA-N	1	1	350.507	2.316	20	30		FEEDMO
CCN1CC[NH+]([C@H]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)C2)CC1	ZINC000443523822	560086288	/nfs/dbraw/zinc/08/62/88/560086288.db2.gz	QSQMRXOENWUGRK-ZDUSSCGKSA-N	1	1	353.392	2.188	20	30		FEEDMO
N#Cc1ccc(NC(=O)NCC[N@H+]2CCCOCC2)cc1C(F)(F)F	ZINC000446331226	560144448	/nfs/dbraw/zinc/14/44/48/560144448.db2.gz	LVLWTABLWTXTJC-UHFFFAOYSA-N	1	1	356.348	2.421	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1	ZINC000448705394	560195221	/nfs/dbraw/zinc/19/52/21/560195221.db2.gz	BHMPFGUYRIRVQE-UXHICEINSA-N	1	1	357.498	2.031	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C#N)n3C)CC2)oc1C	ZINC000448968933	560209246	/nfs/dbraw/zinc/20/92/46/560209246.db2.gz	MGQKLGMOZYKNJZ-UHFFFAOYSA-N	1	1	355.442	2.144	20	30		FEEDMO
C[C@@H](CNC(=O)COc1cccc(Br)c1C#N)[N@@H+](C)C1CC1	ZINC000449834194	560241908	/nfs/dbraw/zinc/24/19/08/560241908.db2.gz	JHJBGWCOZDVJPK-NSHDSACASA-N	1	1	366.259	2.298	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)COc2cccc(Br)c2C#N)CC[N@@H+]1C	ZINC000450373621	560260426	/nfs/dbraw/zinc/26/04/26/560260426.db2.gz	CZEBEQYYLVAJSI-NEPJUHHUSA-N	1	1	366.259	2.251	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)COc1cccc(Br)c1C#N	ZINC000450702166	560270859	/nfs/dbraw/zinc/27/08/59/560270859.db2.gz	PZUOZDXBXRTPJX-UHFFFAOYSA-N	1	1	366.259	2.252	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cccnc2N(C)C)C1	ZINC000451026986	560283084	/nfs/dbraw/zinc/28/30/84/560283084.db2.gz	MCDGWSMRSFJSOE-IRXDYDNUSA-N	1	1	360.502	2.414	20	30		FEEDMO
C[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@@H+](Cc2ccccc2)C1	ZINC000451706071	560323408	/nfs/dbraw/zinc/32/34/08/560323408.db2.gz	JRKFHOLUSKXZNO-UTKZUKDTSA-N	1	1	354.498	2.249	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1	ZINC000451803177	560329586	/nfs/dbraw/zinc/32/95/86/560329586.db2.gz	PKSNAMXDQVAPCY-HNNXBMFYSA-N	1	1	364.396	2.123	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)cc1	ZINC000451803177	560329587	/nfs/dbraw/zinc/32/95/87/560329587.db2.gz	PKSNAMXDQVAPCY-HNNXBMFYSA-N	1	1	364.396	2.123	20	30		FEEDMO
O=C(C[N@@H+]1CC[C@@H](CCCO)C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000452122526	560352718	/nfs/dbraw/zinc/35/27/18/560352718.db2.gz	HLUFQFCIMIDASN-MRXNPFEDSA-N	1	1	368.399	2.268	20	30		FEEDMO
C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@H+](CCOCC)[C@H](C)C1	ZINC000453417323	560386298	/nfs/dbraw/zinc/38/62/98/560386298.db2.gz	ZXTPXDRXPKAPFZ-IKGGRYGDSA-N	1	1	363.506	2.251	20	30		FEEDMO
C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1	ZINC000453450962	560386968	/nfs/dbraw/zinc/38/69/68/560386968.db2.gz	RLBCVKYBINTKCC-QGZVFWFLSA-N	1	1	357.506	2.245	20	30		FEEDMO
CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453590119	560390067	/nfs/dbraw/zinc/39/00/67/560390067.db2.gz	GNOMOIOFHURINF-UHFFFAOYSA-N	1	1	350.850	2.191	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453676595	560395791	/nfs/dbraw/zinc/39/57/91/560395791.db2.gz	UKTJWIGYJQTOAM-SFHVURJKSA-N	1	1	356.470	2.318	20	30		FEEDMO
N#CCc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000453675741	560395807	/nfs/dbraw/zinc/39/58/07/560395807.db2.gz	SEIKUMWNQOKZEL-VQIMIIECSA-N	1	1	366.465	2.166	20	30		FEEDMO
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453712018	560398779	/nfs/dbraw/zinc/39/87/79/560398779.db2.gz	FBRMTLQVHFZJTG-QGZVFWFLSA-N	1	1	365.437	2.314	20	30		FEEDMO
C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453713515	560398979	/nfs/dbraw/zinc/39/89/79/560398979.db2.gz	INVAYAPUVQZKEK-BLLLJJGKSA-N	1	1	362.861	2.143	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000454700569	560454947	/nfs/dbraw/zinc/45/49/47/560454947.db2.gz	VXGOYYIEWQQVLW-YRPNKDGESA-N	1	1	373.497	2.309	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000454700569	560454948	/nfs/dbraw/zinc/45/49/48/560454948.db2.gz	VXGOYYIEWQQVLW-YRPNKDGESA-N	1	1	373.497	2.309	20	30		FEEDMO
C=CCCCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1	ZINC000454825020	560459533	/nfs/dbraw/zinc/45/95/33/560459533.db2.gz	YDBRIQLBORXTFW-LJQANCHMSA-N	1	1	364.534	2.319	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CC[N@H+](C)CCOC)c1ccccc1	ZINC000455393649	560480650	/nfs/dbraw/zinc/48/06/50/560480650.db2.gz	CNGAWUUWZCFCRJ-OTWHNJEPSA-N	1	1	361.486	2.339	20	30		FEEDMO
CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000455705108	560492433	/nfs/dbraw/zinc/49/24/33/560492433.db2.gz	OHYMZNMIZPWRHT-CQSZACIVSA-N	1	1	350.850	2.326	20	30		FEEDMO
N#Cc1ccc(CNC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1F	ZINC000456842815	560534315	/nfs/dbraw/zinc/53/43/15/560534315.db2.gz	RMBQVGRVEGVSTI-UHFFFAOYSA-N	1	1	366.440	2.131	20	30		FEEDMO
C[NH+]1CCN([C@@H](C(=O)NCc2ccc(C#N)c(F)c2)c2ccccc2)CC1	ZINC000456853748	560534590	/nfs/dbraw/zinc/53/45/90/560534590.db2.gz	ZQSPDZNXMMXCBA-HXUWFJFHSA-N	1	1	366.440	2.302	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)C2)n1	ZINC000457142186	560552628	/nfs/dbraw/zinc/55/26/28/560552628.db2.gz	ZVUBFVAGNWEAEQ-MOPGFXCFSA-N	1	1	369.513	2.419	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CC[N@H+](C(C)C)C3)C2)n1	ZINC000457142188	560552808	/nfs/dbraw/zinc/55/28/08/560552808.db2.gz	ZVUBFVAGNWEAEQ-OALUTQOASA-N	1	1	369.513	2.419	20	30		FEEDMO
CC(C)[NH+]1CCN(C2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1	ZINC000459400102	560684410	/nfs/dbraw/zinc/68/44/10/560684410.db2.gz	ZJKNYVZMWSAVFG-UHFFFAOYSA-N	1	1	371.485	2.457	20	30		FEEDMO
COc1cc(CNC(=O)[C@H](C(C)C)[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1C#N	ZINC000460611699	560747051	/nfs/dbraw/zinc/74/70/51/560747051.db2.gz	LBJOTVBXKSRGTG-DOXZYTNZSA-N	1	1	359.470	2.317	20	30		FEEDMO
COc1cc(CNC(=O)[C@H](C(C)C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N	ZINC000460611701	560747136	/nfs/dbraw/zinc/74/71/36/560747136.db2.gz	LBJOTVBXKSRGTG-KHYOSLBOSA-N	1	1	359.470	2.317	20	30		FEEDMO
COc1cc(CNC(=O)[C@H](C(C)C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N	ZINC000460611701	560747137	/nfs/dbraw/zinc/74/71/37/560747137.db2.gz	LBJOTVBXKSRGTG-KHYOSLBOSA-N	1	1	359.470	2.317	20	30		FEEDMO
Cc1nsc(N2CCN(C(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1C#N	ZINC000461202322	560763877	/nfs/dbraw/zinc/76/38/77/560763877.db2.gz	ZMJSMXDPLCJHAQ-GUTXKFCHSA-N	1	1	361.515	2.233	20	30		FEEDMO
Cc1nc(NCCC[NH+]2CCN(c3ncccn3)CC2)c(Cl)cc1C#N	ZINC000461727232	560780506	/nfs/dbraw/zinc/78/05/06/560780506.db2.gz	IUKCDXROFVRDNZ-UHFFFAOYSA-N	1	1	371.876	2.329	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000461898878	560787066	/nfs/dbraw/zinc/78/70/66/560787066.db2.gz	IFAAPGOPJAZTDM-QGZVFWFLSA-N	1	1	370.497	2.064	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000461898878	560787067	/nfs/dbraw/zinc/78/70/67/560787067.db2.gz	IFAAPGOPJAZTDM-QGZVFWFLSA-N	1	1	370.497	2.064	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CCC[C@H]1C#N	ZINC000461958268	560789587	/nfs/dbraw/zinc/78/95/87/560789587.db2.gz	QQYOTQIHXKHMFU-ZIFCJYIRSA-N	1	1	355.486	2.189	20	30		FEEDMO
C[N@@H+](CCc1cccc(Br)c1)CC(=O)NC1(C#N)CCC1	ZINC000463418466	560813469	/nfs/dbraw/zinc/81/34/69/560813469.db2.gz	SLWDDRMMSACNCE-UHFFFAOYSA-N	1	1	350.260	2.486	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1	ZINC000463449019	560815215	/nfs/dbraw/zinc/81/52/15/560815215.db2.gz	JKMMRWHLECDPRI-RBBKRZOGSA-N	1	1	363.461	2.402	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1	ZINC000463449019	560815216	/nfs/dbraw/zinc/81/52/16/560815216.db2.gz	JKMMRWHLECDPRI-RBBKRZOGSA-N	1	1	363.461	2.402	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N(C)CC[N@@H+](C)C1CCCCC1	ZINC000463699555	560821766	/nfs/dbraw/zinc/82/17/66/560821766.db2.gz	RDSSXXZRTGXNAS-UHFFFAOYSA-N	1	1	365.499	2.452	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)N(CCC)CC(F)(F)F)C1	ZINC000464742255	560849746	/nfs/dbraw/zinc/84/97/46/560849746.db2.gz	SHPPYHHUGDKNSL-KGLIPLIRSA-N	1	1	363.424	2.190	20	30		FEEDMO
C=CCC[N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000467297896	560908048	/nfs/dbraw/zinc/90/80/48/560908048.db2.gz	AAGGYKDMCPFNFB-UHFFFAOYSA-N	1	1	365.499	2.308	20	30		FEEDMO
CCc1ccc(C[NH+]2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)s1	ZINC000469598507	560959210	/nfs/dbraw/zinc/95/92/10/560959210.db2.gz	IQHVWKQTAVQZCE-HNNXBMFYSA-N	1	1	360.527	2.379	20	30		FEEDMO
C[N@H+]1CCCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1	ZINC000470543439	560984187	/nfs/dbraw/zinc/98/41/87/560984187.db2.gz	MWXMWUVAHGLEPI-UHFFFAOYSA-N	1	1	369.469	2.439	20	30		FEEDMO
CC[N@@H+](CCNC(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1)C(C)C	ZINC000471968555	561015196	/nfs/dbraw/zinc/01/51/96/561015196.db2.gz	OZNAARAXWRQRQB-SFHVURJKSA-N	1	1	357.502	2.325	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@H]1C	ZINC000476610399	561124161	/nfs/dbraw/zinc/12/41/61/561124161.db2.gz	WTZWVOBWIVWROU-AEFFLSMTSA-N	1	1	357.454	2.170	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)C[C@H]1C	ZINC000476610399	561124162	/nfs/dbraw/zinc/12/41/62/561124162.db2.gz	WTZWVOBWIVWROU-AEFFLSMTSA-N	1	1	357.454	2.170	20	30		FEEDMO
C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COc2cccnc2C#N)CC1	ZINC000477032651	561134697	/nfs/dbraw/zinc/13/46/97/561134697.db2.gz	CMLIAFMCNOVLHV-MRXNPFEDSA-N	1	1	350.422	2.237	20	30		FEEDMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCC(C)(C)C#N)cc2)CC1	ZINC000477112655	561136933	/nfs/dbraw/zinc/13/69/33/561136933.db2.gz	WAOUINNTRHZRNU-UHFFFAOYSA-N	1	1	371.485	2.064	20	30		FEEDMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCCOc2cccc(C#N)c2)C1	ZINC000477139693	561137710	/nfs/dbraw/zinc/13/77/10/561137710.db2.gz	QHUKYDIADKLOJM-WMZOPIPTSA-N	1	1	359.470	2.190	20	30		FEEDMO
N#CC1(C[C@@H](O)C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)CC1	ZINC000528353659	562324515	/nfs/dbraw/zinc/32/45/15/562324515.db2.gz	URMZEDBTFMOMJL-MOPGFXCFSA-N	1	1	353.466	2.090	20	30		FEEDMO
N#CC1(C[C@@H](O)C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)CC1	ZINC000528353659	562324516	/nfs/dbraw/zinc/32/45/16/562324516.db2.gz	URMZEDBTFMOMJL-MOPGFXCFSA-N	1	1	353.466	2.090	20	30		FEEDMO
Cc1nccc([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)n1	ZINC000528357136	562324652	/nfs/dbraw/zinc/32/46/52/562324652.db2.gz	UDBYOQMGZBNBHL-MSOLQXFVSA-N	1	1	352.438	2.276	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1	ZINC000528386814	562326317	/nfs/dbraw/zinc/32/63/17/562326317.db2.gz	JSUZIJVAJGMGMI-CABCVRRESA-N	1	1	358.360	2.341	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1	ZINC000528405418	562327193	/nfs/dbraw/zinc/32/71/93/562327193.db2.gz	SIIRNGHPUXTFOP-RCCFBDPRSA-N	1	1	356.422	2.479	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1	ZINC000528427472	562328832	/nfs/dbraw/zinc/32/88/32/562328832.db2.gz	ZEUNUTBHPKYYHF-SJLPKXTDSA-N	1	1	367.453	2.104	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1	ZINC000528480957	562331480	/nfs/dbraw/zinc/33/14/80/562331480.db2.gz	NBFOMHMTORLUHD-IAGOWNOFSA-N	1	1	371.412	2.375	20	30		FEEDMO
C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528523028	562333725	/nfs/dbraw/zinc/33/37/25/562333725.db2.gz	XJWQRWHMFJMCRH-GOEBONIOSA-N	1	1	371.403	2.114	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CNc2ccc(C#N)cc2)cc1	ZINC000529829554	562387002	/nfs/dbraw/zinc/38/70/02/562387002.db2.gz	AFENNYAOMUHUMO-IBGZPJMESA-N	1	1	364.449	2.369	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CNc2ccc(C#N)cc2)cc1	ZINC000529829554	562387003	/nfs/dbraw/zinc/38/70/03/562387003.db2.gz	AFENNYAOMUHUMO-IBGZPJMESA-N	1	1	364.449	2.369	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2C)c1C#N	ZINC000530519878	562414280	/nfs/dbraw/zinc/41/42/80/562414280.db2.gz	YLCNVRBKYRHZMF-CXAGYDPISA-N	1	1	352.438	2.359	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)c1C#N	ZINC000530519878	562414281	/nfs/dbraw/zinc/41/42/81/562414281.db2.gz	YLCNVRBKYRHZMF-CXAGYDPISA-N	1	1	352.438	2.359	20	30		FEEDMO
CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)C1	ZINC000531645360	562452701	/nfs/dbraw/zinc/45/27/01/562452701.db2.gz	AUKZLHQWOCPDBT-HXUWFJFHSA-N	1	1	370.497	2.143	20	30		FEEDMO
CC1CC(C#N)(C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)C1	ZINC000531807879	562457404	/nfs/dbraw/zinc/45/74/04/562457404.db2.gz	WZNMKPLQODYAHW-UHFFFAOYSA-N	1	1	356.470	2.191	20	30		FEEDMO
CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1	ZINC000532274859	562472346	/nfs/dbraw/zinc/47/23/46/562472346.db2.gz	DKIKIRBFGRAMON-UHFFFAOYSA-N	1	1	362.861	2.483	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21	ZINC000532646766	562484357	/nfs/dbraw/zinc/48/43/57/562484357.db2.gz	ROIDMQWQGANGIB-QAPCUYQASA-N	1	1	365.437	2.183	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@@H]2COCC[C@@H]21	ZINC000532646766	562484358	/nfs/dbraw/zinc/48/43/58/562484358.db2.gz	ROIDMQWQGANGIB-QAPCUYQASA-N	1	1	365.437	2.183	20	30		FEEDMO
CC(=O)N1CCC(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)CC1	ZINC000533254760	562502915	/nfs/dbraw/zinc/50/29/15/562502915.db2.gz	JVXAOHNRCOOVMH-UHFFFAOYSA-N	1	1	370.497	2.143	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000533553191	562512951	/nfs/dbraw/zinc/51/29/51/562512951.db2.gz	OIAOTCAPBIAFSL-AWEZNQCLSA-N	1	1	351.447	2.050	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCC1	ZINC000537255806	562588922	/nfs/dbraw/zinc/58/89/22/562588922.db2.gz	VYSIXRACKOXWRM-IBGZPJMESA-N	1	1	358.461	2.409	20	30		FEEDMO
C=CCSCCNC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000541887614	562622090	/nfs/dbraw/zinc/62/20/90/562622090.db2.gz	SXICPQLYDXJEQA-OAHLLOKOSA-N	1	1	368.572	2.255	20	30		FEEDMO
N#C[C@H]1CN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CCN1Cc1ccccc1	ZINC000602099260	567926629	/nfs/dbraw/zinc/92/66/29/567926629.db2.gz	ZAGPJKRHQHAKFV-VQTJNVASSA-N	1	1	352.482	2.240	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1	ZINC000602885232	568005608	/nfs/dbraw/zinc/00/56/08/568005608.db2.gz	DAJDDVVFSVXKMJ-OXJNMPFZSA-N	1	1	351.454	2.474	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1	ZINC000602885232	568005610	/nfs/dbraw/zinc/00/56/10/568005610.db2.gz	DAJDDVVFSVXKMJ-OXJNMPFZSA-N	1	1	351.454	2.474	20	30		FEEDMO
COCCN(CCC#N)C(=O)C1CC[NH+](Cc2csc(C)n2)CC1	ZINC000609471593	568008702	/nfs/dbraw/zinc/00/87/02/568008702.db2.gz	RTQIMVAGTQREBJ-UHFFFAOYSA-N	1	1	350.488	2.052	20	30		FEEDMO
CO[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@](C)(CO)C1	ZINC000602964069	568023758	/nfs/dbraw/zinc/02/37/58/568023758.db2.gz	MJZBLYYRKWFEPV-ICSRJNTNSA-N	1	1	359.470	2.022	20	30		FEEDMO
CO[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@](C)(CO)C1	ZINC000602964069	568023760	/nfs/dbraw/zinc/02/37/60/568023760.db2.gz	MJZBLYYRKWFEPV-ICSRJNTNSA-N	1	1	359.470	2.022	20	30		FEEDMO
N#CCC1(C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CC1	ZINC000602782543	568039312	/nfs/dbraw/zinc/03/93/12/568039312.db2.gz	HSOPNODPCAOWQQ-UHFFFAOYSA-N	1	1	351.447	2.262	20	30		FEEDMO
Cc1nccc([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)n1	ZINC000603834463	568158758	/nfs/dbraw/zinc/15/87/58/568158758.db2.gz	VARWMHPXYCRZHT-RBUKOAKNSA-N	1	1	366.465	2.470	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CCCCC1	ZINC000603864509	568161568	/nfs/dbraw/zinc/16/15/68/568161568.db2.gz	HMKMYTCOWLEWJW-HDICACEKSA-N	1	1	352.482	2.397	20	30		FEEDMO
C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@]3(C#N)CCSC3)cc2)C[C@@H](C)O1	ZINC000603885911	568177034	/nfs/dbraw/zinc/17/70/34/568177034.db2.gz	NALVFMUFTNVHAB-SPYBWZPUSA-N	1	1	359.495	2.425	20	30		FEEDMO
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN([C@@H](C#N)C(C)C)CC1	ZINC000609487119	568346635	/nfs/dbraw/zinc/34/66/35/568346635.db2.gz	WXEUQQCMMAXDQH-SFHVURJKSA-N	1	1	373.457	2.398	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2ccc3c(n2)CCCC3)c1	ZINC000570920890	568677747	/nfs/dbraw/zinc/67/77/47/568677747.db2.gz	ADTNKIQRTZTCPK-UHFFFAOYSA-N	1	1	355.463	2.396	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@H](C)C#N	ZINC000736533585	598760337	/nfs/dbraw/zinc/76/03/37/598760337.db2.gz	ACYMMJAJAQDRJQ-LLVKDONJSA-N	1	1	373.486	2.227	20	30		FEEDMO
N#CC1(NC(=O)C[NH2+][C@@H]2CCOc3c(Br)cccc32)CCC1	ZINC000558613116	674506677	/nfs/dbraw/zinc/50/66/77/674506677.db2.gz	PDRUXLYPBGPDDE-CYBMUJFWSA-N	1	1	364.243	2.425	20	30		FEEDMO
N#CC1(CCC[N@@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)CCOCC1	ZINC000810065797	674528498	/nfs/dbraw/zinc/52/84/98/674528498.db2.gz	DDGHZMFYXJBUCY-CQSZACIVSA-N	1	1	361.408	2.477	20	30		FEEDMO
C=CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc(-c2nn[nH]n2)c1	ZINC000819743921	606577380	/nfs/dbraw/zinc/57/73/80/606577380.db2.gz	SVGUKCBRNIQMHT-UHFFFAOYSA-N	1	1	358.446	2.379	20	30		FEEDMO
N#Cc1cccc(C2([NH2+]CC(=O)Nc3sccc3-c3nn[nH]n3)CC2)c1	ZINC000826386843	608532557	/nfs/dbraw/zinc/53/25/57/608532557.db2.gz	VBADOXBTHVWNJG-UHFFFAOYSA-N	1	1	365.422	2.017	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000559795797	674556156	/nfs/dbraw/zinc/55/61/56/674556156.db2.gz	HHOWDNGDEDZYGU-GFCCVEGCSA-N	1	1	362.499	2.408	20	30		FEEDMO
C[C@H]1C(N=Nc2ccccc2S(N)(=O)=O)CC[N@H+]1Cc1ccccc1	ZINC000811649715	674618712	/nfs/dbraw/zinc/61/87/12/674618712.db2.gz	VWCDSHRUSKCMHI-AWEZNQCLSA-N	1	1	358.467	2.396	20	30		FEEDMO
C#C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)C(C)(C)C	ZINC000811993509	674645474	/nfs/dbraw/zinc/64/54/74/674645474.db2.gz	UXSXKJMRQFNRJZ-DOTOQJQBSA-N	1	1	362.543	2.384	20	30		FEEDMO
COc1ccc([C@H](CCC#N)[NH2+]CCS(=O)(=O)NC(C)(C)C)cc1	ZINC000562495597	674762784	/nfs/dbraw/zinc/76/27/84/674762784.db2.gz	OOGDHDVYIZKCRB-INIZCTEOSA-N	1	1	353.488	2.348	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@H](c3nnc[nH]3)C1)CCC2	ZINC000563884634	674949852	/nfs/dbraw/zinc/94/98/52/674949852.db2.gz	WJZJUGSVUGJMMP-NSHDSACASA-N	1	1	356.455	2.045	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000815530183	674957514	/nfs/dbraw/zinc/95/75/14/674957514.db2.gz	BATDMCVPIMCNOD-GFCCVEGCSA-N	1	1	362.499	2.456	20	30		FEEDMO
Cc1nsc(NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[N@@H+](C)C2)c1C#N	ZINC001048176750	675006457	/nfs/dbraw/zinc/00/64/57/675006457.db2.gz	PMDFRQLCCUOTME-YUELXQCFSA-N	1	1	361.515	2.314	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1c1snc(Cl)c1C#N	ZINC001048586809	675011358	/nfs/dbraw/zinc/01/13/58/675011358.db2.gz	CMAIEPJKAMLULH-XQQFMLRXSA-N	1	1	367.906	2.236	20	30		FEEDMO
CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CCCOc1ccc(C#N)cc1	ZINC000052134630	670309210	/nfs/dbraw/zinc/30/92/10/670309210.db2.gz	HFEXPMVHJYYYPM-QGZVFWFLSA-N	1	1	365.499	2.121	20	30		FEEDMO
N#CC1(CS(=O)(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCC1	ZINC000570391616	670706736	/nfs/dbraw/zinc/70/67/36/670706736.db2.gz	CSCMNKHDQWLQGY-ZWKOTPCHSA-N	1	1	359.495	2.216	20	30		FEEDMO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C[N@H+](CC)CCC)c1	ZINC000570731248	670760712	/nfs/dbraw/zinc/76/07/12/670760712.db2.gz	KAMFYXYOFDYTJM-HNNXBMFYSA-N	1	1	367.515	2.001	20	30		FEEDMO
COc1ccc(F)cc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000565970886	675165020	/nfs/dbraw/zinc/16/50/20/675165020.db2.gz	DWGJLQFWJHROIM-GFCCVEGCSA-N	1	1	363.414	2.225	20	30		FEEDMO
N#Cc1csc(CNc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)n1	ZINC000573610444	671143322	/nfs/dbraw/zinc/14/33/22/671143322.db2.gz	NJVKHKVUAWBRDG-CQSZACIVSA-N	1	1	355.467	2.324	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CNc2c(C#N)cnc3c(Cl)cccc32)CC1	ZINC000574633733	671262742	/nfs/dbraw/zinc/26/27/42/671262742.db2.gz	ISCAFTCUMOGXKN-UHFFFAOYSA-N	1	1	357.845	2.336	20	30		FEEDMO
C=CCn1c(SCC[NH+]2C[C@@H](C)O[C@H](C)C2)nnc1-c1cnccn1	ZINC000574770091	671275971	/nfs/dbraw/zinc/27/59/71/671275971.db2.gz	FUTDKRYLNMODJQ-ZIAGYGMSSA-N	1	1	360.487	2.122	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H]1CC=CCC1	ZINC000575781800	671320514	/nfs/dbraw/zinc/32/05/14/671320514.db2.gz	NDWFPFCDODHUNH-INIZCTEOSA-N	1	1	363.483	2.032	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H]1CC=CCC1	ZINC000575781800	671320517	/nfs/dbraw/zinc/32/05/17/671320517.db2.gz	NDWFPFCDODHUNH-INIZCTEOSA-N	1	1	363.483	2.032	20	30		FEEDMO
N#Cc1csc(CN(CCC[NH+]2CCOCC2)Cc2ccncc2)n1	ZINC000577330415	671588067	/nfs/dbraw/zinc/58/80/67/671588067.db2.gz	XUGYQBVKNPDDTG-UHFFFAOYSA-N	1	1	357.483	2.134	20	30		FEEDMO
CC(C)Cc1ccc([C@@H](CNS(=O)(=O)N(C)CCC#N)[NH+](C)C)cc1	ZINC000577972810	671632074	/nfs/dbraw/zinc/63/20/74/671632074.db2.gz	LKQYPXHQCWRPKW-GOSISDBHSA-N	1	1	366.531	2.168	20	30		FEEDMO
CC(C)(C)c1ccncc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000582236883	671981072	/nfs/dbraw/zinc/98/10/72/671981072.db2.gz	RMQZBCIHNUZPIY-UHFFFAOYSA-N	1	1	358.467	2.209	20	30		FEEDMO
Cc1cc(SCC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)ccc1C#N	ZINC000582785444	672034027	/nfs/dbraw/zinc/03/40/27/672034027.db2.gz	HMCAHSXJYHXLEM-QGZVFWFLSA-N	1	1	361.511	2.432	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O	ZINC000585800960	672236251	/nfs/dbraw/zinc/23/62/51/672236251.db2.gz	YVWRZYPUNXVWLQ-XHSDSOJGSA-N	1	1	363.483	2.200	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O	ZINC000585800957	672236262	/nfs/dbraw/zinc/23/62/62/672236262.db2.gz	YVWRZYPUNXVWLQ-ARFHVFGLSA-N	1	1	363.483	2.200	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)CC1	ZINC000171536984	672333032	/nfs/dbraw/zinc/33/30/32/672333032.db2.gz	NESNZKXTNZQLCT-UHFFFAOYSA-N	1	1	372.874	2.055	20	30		FEEDMO
CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1	ZINC000589310497	672521259	/nfs/dbraw/zinc/52/12/59/672521259.db2.gz	PWFMAICGKSFOMU-UHFFFAOYSA-N	1	1	364.496	2.132	20	30		FEEDMO
CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCC[N@H+]1CCCC#N	ZINC000186101273	672541549	/nfs/dbraw/zinc/54/15/49/672541549.db2.gz	OUBYUQQBVTXYJK-HNNXBMFYSA-N	1	1	352.479	2.176	20	30		FEEDMO
C[C@H]1COCC[N@H+]1C1CCN(C(=O)CSc2ccc(C#N)cc2)CC1	ZINC000590554407	672589115	/nfs/dbraw/zinc/58/91/15/672589115.db2.gz	BPFACELYTQJIQV-HNNXBMFYSA-N	1	1	359.495	2.362	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(Oc2cncc(Cl)c2)CC1	ZINC000590601996	672595726	/nfs/dbraw/zinc/59/57/26/672595726.db2.gz	NPIDCGRHLJWGRJ-CYBMUJFWSA-N	1	1	350.850	2.339	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)NCC(C)(C)CC#N)c2cccs2)CC1	ZINC000590903497	672631021	/nfs/dbraw/zinc/63/10/21/672631021.db2.gz	HMJAKMGOGUAGCN-OAHLLOKOSA-N	1	1	363.531	2.276	20	30		FEEDMO
C=CCc1cc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c(O)c(OC)c1	ZINC000192944736	672707366	/nfs/dbraw/zinc/70/73/66/672707366.db2.gz	HHGFTDFQIITUMY-MRXNPFEDSA-N	1	1	351.468	2.281	20	30		FEEDMO
C=CCc1cc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c(O)c(OC)c1	ZINC000192944736	672707369	/nfs/dbraw/zinc/70/73/69/672707369.db2.gz	HHGFTDFQIITUMY-MRXNPFEDSA-N	1	1	351.468	2.281	20	30		FEEDMO
C[N@@H+]1CC[C@H](NC(=O)N2CC[C@](O)(CC#N)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000591996906	672731276	/nfs/dbraw/zinc/73/12/76/672731276.db2.gz	GOFBBRLLEXDZQV-XYJFISCASA-N	1	1	362.861	2.145	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N2CC[C@](O)(CC#N)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000591996906	672731278	/nfs/dbraw/zinc/73/12/78/672731278.db2.gz	GOFBBRLLEXDZQV-XYJFISCASA-N	1	1	362.861	2.145	20	30		FEEDMO
C=C[C@H](O)C(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F	ZINC000611721937	676052163	/nfs/dbraw/zinc/05/21/63/676052163.db2.gz	NUJDDXTXNIKKDH-HOTGVXAUSA-N	1	1	356.388	2.446	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000592075753	672749145	/nfs/dbraw/zinc/74/91/45/672749145.db2.gz	KUHQYEBUEGHPPI-AWEZNQCLSA-N	1	1	368.474	2.145	20	30		FEEDMO
C=CC1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000194293707	672754930	/nfs/dbraw/zinc/75/49/30/672754930.db2.gz	IAJCTFAXRRCTBZ-UHFFFAOYSA-N	1	1	351.491	2.354	20	30		FEEDMO
C=CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000247061070	672846138	/nfs/dbraw/zinc/84/61/38/672846138.db2.gz	VLXCFMZWNWFRBX-ZWKOTPCHSA-N	1	1	357.564	2.161	20	30		FEEDMO
C=CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1	ZINC000247061070	672846142	/nfs/dbraw/zinc/84/61/42/672846142.db2.gz	VLXCFMZWNWFRBX-ZWKOTPCHSA-N	1	1	357.564	2.161	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1	ZINC000247406464	672849722	/nfs/dbraw/zinc/84/97/22/672849722.db2.gz	RJWODRFSORMTNX-SUMWQHHRSA-N	1	1	357.845	2.246	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1	ZINC000247406464	672849728	/nfs/dbraw/zinc/84/97/28/672849728.db2.gz	RJWODRFSORMTNX-SUMWQHHRSA-N	1	1	357.845	2.246	20	30		FEEDMO
COCC[N@H+]1CCN(CC(=O)Nc2sc(C)c(C)c2C#N)C(C)(C)C1	ZINC000593102058	672876659	/nfs/dbraw/zinc/87/66/59/672876659.db2.gz	VFZRYMAVBJYCPP-UHFFFAOYSA-N	1	1	364.515	2.218	20	30		FEEDMO
C[NH+]=C(NCC1(N2CCSCC2)CCCC1)NC[C@@]1(C)CCCO1	ZINC000261837183	672903996	/nfs/dbraw/zinc/90/39/96/672903996.db2.gz	WEMBABCBGXTCRT-QGZVFWFLSA-N	1	1	354.564	2.082	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1C	ZINC000593557795	672942674	/nfs/dbraw/zinc/94/26/74/672942674.db2.gz	RCUXEYVXDPIASE-LBPRGKRZSA-N	1	1	350.260	2.416	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3ccc(Br)cc3C#N)[C@@H]2C1	ZINC000593589997	672952436	/nfs/dbraw/zinc/95/24/36/672952436.db2.gz	WPPPFVDUKIDWQG-MLGOLLRUSA-N	1	1	362.271	2.416	20	30		FEEDMO
C=C[C@@H](O)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000612441675	676082599	/nfs/dbraw/zinc/08/25/99/676082599.db2.gz	MLONUGPTLSBLQQ-OAHLLOKOSA-N	1	1	353.260	2.077	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1Cl	ZINC000594325121	673058618	/nfs/dbraw/zinc/05/86/18/673058618.db2.gz	BGXIHOCSKAIWIJ-CVEARBPZSA-N	1	1	360.845	2.283	20	30		FEEDMO
CCC(=O)N1CSC[C@@H]1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000328909316	673069590	/nfs/dbraw/zinc/06/95/90/673069590.db2.gz	MRAGMSWRPIWHGA-HZSPNIEDSA-N	1	1	357.520	2.142	20	30		FEEDMO
CCC(=O)N1CSC[C@@H]1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000328909316	673069596	/nfs/dbraw/zinc/06/95/96/673069596.db2.gz	MRAGMSWRPIWHGA-HZSPNIEDSA-N	1	1	357.520	2.142	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)C1	ZINC000329246379	673073873	/nfs/dbraw/zinc/07/38/73/673073873.db2.gz	RCFDMDPIPHUSLW-GVDBMIGSSA-N	1	1	351.491	2.092	20	30		FEEDMO
O=C(CCc1cnc[nH]1)NC1CCC(C(=O)N2CCSCC2)CC1	ZINC000329445374	673077459	/nfs/dbraw/zinc/07/74/59/673077459.db2.gz	NRGRUEXQEBUATH-UHFFFAOYSA-N	1	1	350.488	2.433	20	30		FEEDMO
O=C(NCC[NH+]1CCSCC1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1	ZINC000329456944	673077623	/nfs/dbraw/zinc/07/76/23/673077623.db2.gz	QLEHXQWYNOFLCQ-GFCCVEGCSA-N	1	1	369.437	2.323	20	30		FEEDMO
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1	ZINC000329750347	673082658	/nfs/dbraw/zinc/08/26/58/673082658.db2.gz	IAUWVYOIHYYTLY-ULQDDVLXSA-N	1	1	352.523	2.211	20	30		FEEDMO
C[C@@H](CNc1ncc(Br)cc1C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000594592876	673104165	/nfs/dbraw/zinc/10/41/65/673104165.db2.gz	ZUPORQOIICYLAC-SDDRHHMPSA-N	1	1	353.264	2.625	20	30		FEEDMO
C[C@@H](CNc1ncc(Br)cc1C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000594592876	673104168	/nfs/dbraw/zinc/10/41/68/673104168.db2.gz	ZUPORQOIICYLAC-SDDRHHMPSA-N	1	1	353.264	2.625	20	30		FEEDMO
C=CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccsc3C(=O)OC)C2=O)C1	ZINC000594659570	673109743	/nfs/dbraw/zinc/10/97/43/673109743.db2.gz	FNMDWWSESVGZIQ-OCCSQVGLSA-N	1	1	362.451	2.455	20	30		FEEDMO
C=CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccsc3C(=O)OC)C2=O)C1	ZINC000594659570	673109744	/nfs/dbraw/zinc/10/97/44/673109744.db2.gz	FNMDWWSESVGZIQ-OCCSQVGLSA-N	1	1	362.451	2.455	20	30		FEEDMO
C=C(Br)CNC(=O)NCc1cccnc1-n1cc[nH+]c1C	ZINC000726235717	673111991	/nfs/dbraw/zinc/11/19/91/673111991.db2.gz	DMUNNTRKOMBELM-UHFFFAOYSA-N	1	1	350.220	2.284	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1F	ZINC000594853956	673164312	/nfs/dbraw/zinc/16/43/12/673164312.db2.gz	BMXWRERXWVJWIN-CQSZACIVSA-N	1	1	351.447	2.383	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1F	ZINC000594853955	673164345	/nfs/dbraw/zinc/16/43/45/673164345.db2.gz	BMXWRERXWVJWIN-AWEZNQCLSA-N	1	1	351.447	2.383	20	30		FEEDMO
CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1	ZINC000595355735	673231749	/nfs/dbraw/zinc/23/17/49/673231749.db2.gz	QSQDYNCBRLQCGU-ZDUSSCGKSA-N	1	1	372.288	2.083	20	30		FEEDMO
C=C(C)[C@@H]([NH2+][C@@H]1CCN(CCC(=O)OC)C1=O)c1ccc(F)c(F)c1	ZINC000595440270	673251279	/nfs/dbraw/zinc/25/12/79/673251279.db2.gz	ORNYLDKSYGTGHM-NVXWUHKLSA-N	1	1	352.381	2.336	20	30		FEEDMO
N#Cc1sccc1N1CC[NH+](C[C@H](O)COCc2cccs2)CC1	ZINC000595633652	673276781	/nfs/dbraw/zinc/27/67/81/673276781.db2.gz	RUEWDXGWIWWFSY-AWEZNQCLSA-N	1	1	363.508	2.381	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)nc1	ZINC000595787472	673325432	/nfs/dbraw/zinc/32/54/32/673325432.db2.gz	JDJLHWYKMCKKMY-IRXDYDNUSA-N	1	1	363.483	2.008	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)nc1	ZINC000595787472	673325434	/nfs/dbraw/zinc/32/54/34/673325434.db2.gz	JDJLHWYKMCKKMY-IRXDYDNUSA-N	1	1	363.483	2.008	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1nc(C#N)c(Cl)s1	ZINC000596130345	673361990	/nfs/dbraw/zinc/36/19/90/673361990.db2.gz	CKDIJQFSXQRLCS-LBPRGKRZSA-N	1	1	362.890	2.686	20	30		FEEDMO
CCc1nc(C#N)cc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)n1	ZINC000596210750	673368362	/nfs/dbraw/zinc/36/83/62/673368362.db2.gz	PWJGKZMPVWKMFK-QGZVFWFLSA-N	1	1	353.495	2.940	20	30		FEEDMO
Cc1nnsc1CNc1cc(C)[nH+]c(NCc2snnc2C)c1C#N	ZINC000596240828	673371171	/nfs/dbraw/zinc/37/11/71/673371171.db2.gz	HVUJNBDPUGJFAU-UHFFFAOYSA-N	1	1	372.483	2.806	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@@H]2CS(=O)(=O)NC)cc1Cl	ZINC000536710727	673377898	/nfs/dbraw/zinc/37/78/98/673377898.db2.gz	SGUZDBLDBINUKB-CQSZACIVSA-N	1	1	358.891	2.418	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2CS(=O)(=O)NC)cc1Cl	ZINC000536710727	673377900	/nfs/dbraw/zinc/37/79/00/673377900.db2.gz	SGUZDBLDBINUKB-CQSZACIVSA-N	1	1	358.891	2.418	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2Br)CC1	ZINC000732757622	673380850	/nfs/dbraw/zinc/38/08/50/673380850.db2.gz	SCOITKKAFPEHBZ-AWEZNQCLSA-N	1	1	365.271	2.384	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000732809861	673384234	/nfs/dbraw/zinc/38/42/34/673384234.db2.gz	HKKMVGDJPWRIKQ-LLVKDONJSA-N	1	1	374.388	2.043	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](SC)[C@@H](N(C)C)C1	ZINC000537288901	673385620	/nfs/dbraw/zinc/38/56/20/673385620.db2.gz	DLUHHEXPOFSOBT-ZIFCJYIRSA-N	1	1	350.528	2.132	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](SC)[C@@H](N(C)C)C1	ZINC000537288901	673385622	/nfs/dbraw/zinc/38/56/22/673385622.db2.gz	DLUHHEXPOFSOBT-ZIFCJYIRSA-N	1	1	350.528	2.132	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000596599799	673396270	/nfs/dbraw/zinc/39/62/70/673396270.db2.gz	VETWDTWUMHCDQE-HNNXBMFYSA-N	1	1	361.515	2.326	20	30		FEEDMO
C#CC[N@H+](CCC(=O)NC)[C@@H]1CCOc2ccc(Br)cc21	ZINC000733196385	673402905	/nfs/dbraw/zinc/40/29/05/673402905.db2.gz	CTIRBSVYZKTCCR-CQSZACIVSA-N	1	1	351.244	2.344	20	30		FEEDMO
C=CCCSCCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1	ZINC000597217252	673457353	/nfs/dbraw/zinc/45/73/53/673457353.db2.gz	NMLIAEQBCBRGQG-OAHLLOKOSA-N	1	1	355.548	2.039	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@H]1CSC	ZINC000597283836	673463456	/nfs/dbraw/zinc/46/34/56/673463456.db2.gz	HXBVQWVTXUSBHL-PMPSAXMXSA-N	1	1	363.531	2.332	20	30		FEEDMO
Cn1cc(Cl)c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000598992396	673626827	/nfs/dbraw/zinc/62/68/27/673626827.db2.gz	LVEMWQUHNFNIQN-UHFFFAOYSA-N	1	1	357.845	2.293	20	30		FEEDMO
Cn1cc(Cl)c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000598992396	673626831	/nfs/dbraw/zinc/62/68/31/673626831.db2.gz	LVEMWQUHNFNIQN-UHFFFAOYSA-N	1	1	357.845	2.293	20	30		FEEDMO
N#Cc1cc(Br)cnc1N1CCC([NH+]2CCOCC2)CC1	ZINC000599106579	673633745	/nfs/dbraw/zinc/63/37/45/673633745.db2.gz	WFWDGPHBQLKAJC-UHFFFAOYSA-N	1	1	351.248	2.017	20	30		FEEDMO
CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599339004	673661102	/nfs/dbraw/zinc/66/11/02/673661102.db2.gz	DMMXMRHDKNTEJB-SJORKVTESA-N	1	1	352.475	2.113	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H](CC(F)(F)F)O1	ZINC000599479410	673680986	/nfs/dbraw/zinc/68/09/86/673680986.db2.gz	WNKRFUPMVYGNQJ-RDBSUJKOSA-N	1	1	350.381	2.099	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@H](CC(F)(F)F)O1	ZINC000599479410	673680991	/nfs/dbraw/zinc/68/09/91/673680991.db2.gz	WNKRFUPMVYGNQJ-RDBSUJKOSA-N	1	1	350.381	2.099	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@@H](CC(F)(F)F)O1	ZINC000599479409	673681131	/nfs/dbraw/zinc/68/11/31/673681131.db2.gz	WNKRFUPMVYGNQJ-MGPQQGTHSA-N	1	1	350.381	2.099	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@@H](CC(F)(F)F)O1	ZINC000599479409	673681133	/nfs/dbraw/zinc/68/11/33/673681133.db2.gz	WNKRFUPMVYGNQJ-MGPQQGTHSA-N	1	1	350.381	2.099	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599501495	673685551	/nfs/dbraw/zinc/68/55/51/673685551.db2.gz	YOQOJXDVKNFFRY-CRAIPNDOSA-N	1	1	352.475	2.254	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1	ZINC000599643697	673701425	/nfs/dbraw/zinc/70/14/25/673701425.db2.gz	DTNZPXHDSXRAJM-MELADBBJSA-N	1	1	360.483	2.215	20	30		FEEDMO
CNS(=O)(=O)c1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1	ZINC000599678431	673705378	/nfs/dbraw/zinc/70/53/78/673705378.db2.gz	QUABEIVWJQSLHS-UHFFFAOYSA-N	1	1	355.463	2.219	20	30		FEEDMO
CNS(=O)(=O)c1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1	ZINC000599678431	673705383	/nfs/dbraw/zinc/70/53/83/673705383.db2.gz	QUABEIVWJQSLHS-UHFFFAOYSA-N	1	1	355.463	2.219	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@H]3CCC[C@@H]32)CC1	ZINC000614600340	676182947	/nfs/dbraw/zinc/18/29/47/676182947.db2.gz	FXZBJXRFDSMFJC-IXDOHACOSA-N	1	1	358.511	2.331	20	30		FEEDMO
C[C@@](O)(C[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1)C1CC1	ZINC000600846195	673803545	/nfs/dbraw/zinc/80/35/45/673803545.db2.gz	NESVHYCGQAEDLY-VQIMIIECSA-N	1	1	363.889	2.246	20	30		FEEDMO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC1(O)CCC1	ZINC000546807878	673819934	/nfs/dbraw/zinc/81/99/34/673819934.db2.gz	OIMBQXMYKBFWFG-UHFFFAOYSA-N	1	1	354.372	2.020	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000601372444	673850424	/nfs/dbraw/zinc/85/04/24/673850424.db2.gz	YFZNQERSFLMEOS-BBRMVZONSA-N	1	1	351.447	2.111	20	30		FEEDMO
CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000601447121	673863909	/nfs/dbraw/zinc/86/39/09/673863909.db2.gz	HSRXBSHEWUVTER-AWEZNQCLSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1	ZINC000548766595	673993650	/nfs/dbraw/zinc/99/36/50/673993650.db2.gz	LRCMRURECQHNDE-LLVKDONJSA-N	1	1	361.389	2.197	20	30		FEEDMO
C#CC[N@@H+](CC)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC	ZINC000823419027	675551730	/nfs/dbraw/zinc/55/17/30/675551730.db2.gz	OQIPCTPTRYJOHP-LBPRGKRZSA-N	1	1	353.260	2.418	20	30		FEEDMO
C#CC[N@H+](CC)Cc1cc(Br)ccc1O[C@@H](C)C(=O)NC	ZINC000823419027	675551732	/nfs/dbraw/zinc/55/17/32/675551732.db2.gz	OQIPCTPTRYJOHP-LBPRGKRZSA-N	1	1	353.260	2.418	20	30		FEEDMO
O=C(C#Cc1cccs1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000828936211	675853264	/nfs/dbraw/zinc/85/32/64/675853264.db2.gz	LCIMGWBZDBZNMA-SFHVURJKSA-N	1	1	354.475	2.373	20	30		FEEDMO
C=CCCCS(=O)(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21	ZINC000651840929	677455814	/nfs/dbraw/zinc/45/58/14/677455814.db2.gz	BEYKDVMIYWFHCP-RBUKOAKNSA-N	1	1	364.511	2.258	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)c1cccc(Br)c1	ZINC000839825823	680781827	/nfs/dbraw/zinc/78/18/27/680781827.db2.gz	PLTBSGGIDJVQMB-HOTGVXAUSA-N	1	1	365.271	2.039	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)c1cccc(Br)c1	ZINC000839825823	680781828	/nfs/dbraw/zinc/78/18/28/680781828.db2.gz	PLTBSGGIDJVQMB-HOTGVXAUSA-N	1	1	365.271	2.039	20	30		FEEDMO
C=CCn1nnn(CN2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1=S	ZINC000840136092	680801564	/nfs/dbraw/zinc/80/15/64/680801564.db2.gz	SEWMTRCLNSKGLK-MRXNPFEDSA-N	1	1	358.515	2.406	20	30		FEEDMO
C=CCc1cc(OC)cc(C[N@@H+]2CCSC[C@@H](C(=O)OC)C2)c1O	ZINC000840186698	680805766	/nfs/dbraw/zinc/80/57/66/680805766.db2.gz	RFWYMQLASCCDRH-HNNXBMFYSA-N	1	1	351.468	2.467	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(c3cc(C(F)(F)F)cnc3C#N)CC2)C1	ZINC000840264253	680810858	/nfs/dbraw/zinc/81/08/58/680810858.db2.gz	QEMUKUBAOJRODU-AWEZNQCLSA-N	1	1	353.392	2.188	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@@](C)(CC)CNC(=O)OC(C)(C)C)CC1	ZINC000747845531	679907171	/nfs/dbraw/zinc/90/71/71/679907171.db2.gz	XVIRQBKEZJFVHG-IBGZPJMESA-N	1	1	351.491	2.095	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC000975322131	680031039	/nfs/dbraw/zinc/03/10/39/680031039.db2.gz	VMLNBILBCPMCOY-VNQPRFMTSA-N	1	1	369.937	2.460	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1	ZINC001017488721	680075760	/nfs/dbraw/zinc/07/57/60/680075760.db2.gz	JNVGQUFHWPUGSE-CZUORRHYSA-N	1	1	367.921	2.380	20	30		FEEDMO
C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@H]12	ZINC000991391851	680080249	/nfs/dbraw/zinc/08/02/49/680080249.db2.gz	WMVHMVVKTRFAGV-KNCOVGOOSA-N	1	1	362.392	2.022	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C1	ZINC000975724090	680083819	/nfs/dbraw/zinc/08/38/19/680083819.db2.gz	SEKBABAMNKANIJ-XHSDSOJGSA-N	1	1	367.921	2.166	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1	ZINC000992685481	680123893	/nfs/dbraw/zinc/12/38/93/680123893.db2.gz	CWSUHJIWUUOKGX-YZVOILCLSA-N	1	1	367.921	2.166	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1	ZINC000992956832	680138791	/nfs/dbraw/zinc/13/87/91/680138791.db2.gz	NNOUPOYDLKZYPT-CLCXKQKWSA-N	1	1	367.921	2.024	20	30		FEEDMO
C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3CC)[C@@H]2C1	ZINC000978542558	680178105	/nfs/dbraw/zinc/17/81/05/680178105.db2.gz	QGAZPMKANHFOLD-ZSAUSMIDSA-N	1	1	357.292	2.004	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nc(C(C)C)ns2)C1	ZINC001022101048	680196290	/nfs/dbraw/zinc/19/62/90/680196290.db2.gz	CGSPKXVNDYRGTH-BARDWOONSA-N	1	1	364.515	2.380	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](Cc3cncs3)C[C@]2(C)C1	ZINC000982574430	680281159	/nfs/dbraw/zinc/28/11/59/680281159.db2.gz	MNRLSDFVSXIDCE-JFRXWTBNSA-N	1	1	361.511	2.405	20	30		FEEDMO
C=C(Br)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1(C)C	ZINC000995920567	680312185	/nfs/dbraw/zinc/31/21/85/680312185.db2.gz	CKGUNXBTUIEROY-BZPMIXESSA-N	1	1	367.291	2.248	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2cnsn2)CC1	ZINC001026574339	680347724	/nfs/dbraw/zinc/34/77/24/680347724.db2.gz	PFXYYUOGNWEUHV-LCSXWQTCSA-N	1	1	364.515	2.426	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]Cc2nnsc2Cl)C1	ZINC001027117056	680355847	/nfs/dbraw/zinc/35/58/47/680355847.db2.gz	OUMZUFRXKIPSDP-DYEKYZERSA-N	1	1	370.906	2.111	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCN2Cc2ccc(C#N)s2)CC[N@H+]1C	ZINC001027893042	680363665	/nfs/dbraw/zinc/36/36/65/680363665.db2.gz	KWKOETAWXQULEM-JCGIZDLHSA-N	1	1	360.527	2.431	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C[C@@H]2CCOC2)CC1	ZINC001029965893	680394527	/nfs/dbraw/zinc/39/45/27/680394527.db2.gz	FJFSPTQKFGXZKT-OTWHNJEPSA-N	1	1	350.503	2.175	20	30		FEEDMO
C=C(Br)CN1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1	ZINC001000694642	680437259	/nfs/dbraw/zinc/43/72/59/680437259.db2.gz	FPSLONCFWBTNQY-JKSUJKDBSA-N	1	1	370.335	2.374	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1	ZINC000836395707	680463490	/nfs/dbraw/zinc/46/34/90/680463490.db2.gz	XNHZTLYRKZMNLB-CQSZACIVSA-N	1	1	366.868	2.312	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@H](Nc3nc(C#N)c(Cl)s3)[C@@H]2C)CC[N@H+]1C	ZINC001040275712	680470549	/nfs/dbraw/zinc/47/05/49/680470549.db2.gz	VKOTVWJUQWKFRX-KXNHARMFSA-N	1	1	367.906	2.410	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC000756545461	680484357	/nfs/dbraw/zinc/48/43/57/680484357.db2.gz	YBUVVCCLMVVTGK-GJZGRUSLSA-N	1	1	360.841	2.334	20	30		FEEDMO
C#CCNC(=S)N(C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1	ZINC000758216585	680562840	/nfs/dbraw/zinc/56/28/40/680562840.db2.gz	VFINMRVMZJQPOR-UHFFFAOYSA-N	1	1	360.527	2.111	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C	ZINC000758485234	680585109	/nfs/dbraw/zinc/58/51/09/680585109.db2.gz	WSOGTQSYTMXZCE-JKSUJKDBSA-N	1	1	355.479	2.053	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C	ZINC000758485234	680585113	/nfs/dbraw/zinc/58/51/13/680585113.db2.gz	WSOGTQSYTMXZCE-JKSUJKDBSA-N	1	1	355.479	2.053	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1	ZINC001043609215	680591000	/nfs/dbraw/zinc/59/10/00/680591000.db2.gz	QBEALHBCZNUSAT-RAIGVLPGSA-N	1	1	367.906	2.411	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCOC)C2)C1	ZINC001045938891	680641419	/nfs/dbraw/zinc/64/14/19/680641419.db2.gz	NYTATTLOKHZKLM-WSTZPKSXSA-N	1	1	350.503	2.319	20	30		FEEDMO
C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3nc(Cl)c(C#N)s3)C2)C1	ZINC001047310132	680660186	/nfs/dbraw/zinc/66/01/86/680660186.db2.gz	NKTAPAJAUHKDMS-SDDRHHMPSA-N	1	1	367.906	2.317	20	30		FEEDMO
OC[C@@H]1CCCN1[NH+]=Cc1ccc(Br)cc1N1CCOCC1	ZINC000841658264	680905013	/nfs/dbraw/zinc/90/50/13/680905013.db2.gz	ZRORYASMADBBQV-HNNXBMFYSA-N	1	1	368.275	2.076	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C	ZINC000842301788	680937524	/nfs/dbraw/zinc/93/75/24/680937524.db2.gz	AHUSUBYMBFBYCA-HRCADAONSA-N	1	1	350.459	2.321	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+]Cc1cc(Br)cnc1Cl	ZINC000842696055	680959998	/nfs/dbraw/zinc/95/99/98/680959998.db2.gz	KJSAUCFQZFMRIE-UHFFFAOYSA-N	1	1	353.669	2.188	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1)C1CC1	ZINC000844370214	681054642	/nfs/dbraw/zinc/05/46/42/681054642.db2.gz	FSDAXBAHGFIEPJ-MOPGFXCFSA-N	1	1	361.873	2.432	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1)C1CC1	ZINC000844370214	681054644	/nfs/dbraw/zinc/05/46/44/681054644.db2.gz	FSDAXBAHGFIEPJ-MOPGFXCFSA-N	1	1	361.873	2.432	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CC[C@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@H+]1C	ZINC001059096580	681178733	/nfs/dbraw/zinc/17/87/33/681178733.db2.gz	KZSKNNWYPQXKAB-OFQRWUPVSA-N	1	1	361.877	2.350	20	30		FEEDMO
CC(=NNCC(C)(C)S(C)(=O)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000774481705	681193402	/nfs/dbraw/zinc/19/34/02/681193402.db2.gz	DMTXZCUBTFRHDZ-KRWDZBQOSA-N	1	1	351.516	2.297	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)CCC1=NNCC(C)(C)S(C)(=O)=O	ZINC000774494280	681195374	/nfs/dbraw/zinc/19/53/74/681195374.db2.gz	ALCOKTWWJVFJPN-HNNXBMFYSA-N	1	1	351.516	2.297	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=NNCC(C)(C)S(C)(=O)=O	ZINC000774494280	681195380	/nfs/dbraw/zinc/19/53/80/681195380.db2.gz	ALCOKTWWJVFJPN-HNNXBMFYSA-N	1	1	351.516	2.297	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@@H](CC#N)C(F)(F)F)C[C@@H](C)O1	ZINC000932921753	681328767	/nfs/dbraw/zinc/32/87/67/681328767.db2.gz	ZORGYDMATHDVCE-MQYQWHSLSA-N	1	1	362.396	2.114	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H](CC#N)C(F)(F)F)C[C@H](C)O1	ZINC000932921752	681328900	/nfs/dbraw/zinc/32/89/00/681328900.db2.gz	ZORGYDMATHDVCE-CRWXNKLISA-N	1	1	362.396	2.114	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H](CC#N)C(F)(F)F)C[C@H](C)O1	ZINC000932921752	681328908	/nfs/dbraw/zinc/32/89/08/681328908.db2.gz	ZORGYDMATHDVCE-CRWXNKLISA-N	1	1	362.396	2.114	20	30		FEEDMO
C[NH+](C)[C@@H](C(=O)NCCNc1ncccc1C#N)c1ccc(Cl)cc1	ZINC000847387844	681372307	/nfs/dbraw/zinc/37/23/07/681372307.db2.gz	VTOGJKHKIUEANR-MRXNPFEDSA-N	1	1	357.845	2.438	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1ccccc1C(F)(F)F	ZINC000933244814	681379809	/nfs/dbraw/zinc/37/98/09/681379809.db2.gz	CIJIJDNISYETIL-SWLSCSKDSA-N	1	1	357.376	2.337	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1	ZINC000933445577	681413841	/nfs/dbraw/zinc/41/38/41/681413841.db2.gz	QIBQEFDVYPUKDW-NVXWUHKLSA-N	1	1	362.495	2.038	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1	ZINC000933445577	681413844	/nfs/dbraw/zinc/41/38/44/681413844.db2.gz	QIBQEFDVYPUKDW-NVXWUHKLSA-N	1	1	362.495	2.038	20	30		FEEDMO
C=C(C)CC[N@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1	ZINC000776838172	681439579	/nfs/dbraw/zinc/43/95/79/681439579.db2.gz	YCXBPRPEJAQGOA-INIZCTEOSA-N	1	1	351.491	2.496	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1	ZINC000777310395	681481439	/nfs/dbraw/zinc/48/14/39/681481439.db2.gz	KHEMVIGJKHBUFD-HOTGVXAUSA-N	1	1	350.459	2.321	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2c(Br)cnn2C2CC2)C1	ZINC000934363296	681556887	/nfs/dbraw/zinc/55/68/87/681556887.db2.gz	NWBWALIDSNLOJP-LLVKDONJSA-N	1	1	366.263	2.200	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2c(Br)cnn2C2CC2)C1	ZINC000934363296	681556891	/nfs/dbraw/zinc/55/68/91/681556891.db2.gz	NWBWALIDSNLOJP-LLVKDONJSA-N	1	1	366.263	2.200	20	30		FEEDMO
COc1nc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)ncc1Br	ZINC000848627382	681591063	/nfs/dbraw/zinc/59/10/63/681591063.db2.gz	LYGLNGQHGXQCAC-VIFPVBQESA-N	1	1	367.207	2.381	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1	ZINC000934833462	681645574	/nfs/dbraw/zinc/64/55/74/681645574.db2.gz	KCMXBIZABFNVPK-MSOLQXFVSA-N	1	1	362.495	2.471	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2ccsc2C#N)CC1	ZINC000849274845	681675331	/nfs/dbraw/zinc/67/53/31/681675331.db2.gz	ACEAYTZYQGQENV-CQSZACIVSA-N	1	1	363.556	2.101	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(-c2nc(C)co2)ccc1C	ZINC000849394932	681712272	/nfs/dbraw/zinc/71/22/72/681712272.db2.gz	JUTGAHNOYCWXSW-UHFFFAOYSA-N	1	1	361.467	2.192	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)cc1SC	ZINC000850459894	681904518	/nfs/dbraw/zinc/90/45/18/681904518.db2.gz	JGWGSIQCVHLGGA-UHFFFAOYSA-N	1	1	353.875	2.072	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(C)ccc1C(F)(F)F	ZINC000850459665	681904723	/nfs/dbraw/zinc/90/47/23/681904723.db2.gz	CGUZPHRFEDMSCU-UHFFFAOYSA-N	1	1	355.360	2.024	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)Cc2csc(C#N)c2)C1	ZINC000914213078	685499203	/nfs/dbraw/zinc/49/92/03/685499203.db2.gz	SMDHSUUOZDRXAR-CQSZACIVSA-N	1	1	353.513	2.113	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccncc3Cl)C[C@H]21	ZINC000959943072	682012197	/nfs/dbraw/zinc/01/21/97/682012197.db2.gz	BIVZHXWYPVTOMH-YONAWACDSA-N	1	1	361.873	2.263	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]21	ZINC000959943072	682012203	/nfs/dbraw/zinc/01/22/03/682012203.db2.gz	BIVZHXWYPVTOMH-YONAWACDSA-N	1	1	361.873	2.263	20	30		FEEDMO
C=CCSCCNC(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O	ZINC000915205024	685513080	/nfs/dbraw/zinc/51/30/80/685513080.db2.gz	LFKOWYMYVCNRJS-KONPQCLYSA-N	1	1	355.548	2.075	20	30		FEEDMO
C=C(C)[C@@H]1CC=C(C)C(=NNC(=S)NCCC[NH+]2CCOCC2)C1	ZINC000916310587	685523534	/nfs/dbraw/zinc/52/35/34/685523534.db2.gz	YEYMAOHBADGTBA-MRXNPFEDSA-N	1	1	350.532	2.461	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)Cc1csc(C#N)c1)c1ccc(F)cc1	ZINC000915657169	685517133	/nfs/dbraw/zinc/51/71/33/685517133.db2.gz	JULRWQGUSAMQFE-MRXNPFEDSA-N	1	1	367.471	2.481	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccccc1Cl	ZINC000916310441	685523509	/nfs/dbraw/zinc/52/35/09/685523509.db2.gz	SQQXHQAOVPBUQK-UHFFFAOYSA-N	1	1	354.907	2.250	20	30		FEEDMO
C[NH+]1CCN(N=Cc2ncc(Br)cc2Br)CC1	ZINC000783773827	682175201	/nfs/dbraw/zinc/17/52/01/682175201.db2.gz	PJIZLDQEKUMYMY-UHFFFAOYSA-N	1	1	362.069	2.188	20	30		FEEDMO
C#C[C@@H](NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)C1CCOCC1	ZINC000851953093	682191449	/nfs/dbraw/zinc/19/14/49/682191449.db2.gz	XFOZQUJMDXBOMG-WMLDXEAASA-N	1	1	361.511	2.222	20	30		FEEDMO
C#C[C@@H](NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)C1CCOCC1	ZINC000851953093	682191453	/nfs/dbraw/zinc/19/14/53/682191453.db2.gz	XFOZQUJMDXBOMG-WMLDXEAASA-N	1	1	361.511	2.222	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cs1	ZINC000917731988	685534209	/nfs/dbraw/zinc/53/42/09/685534209.db2.gz	JKVLSAHUVOTNLW-MRXNPFEDSA-N	1	1	361.492	2.314	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cs1	ZINC000917731988	685534210	/nfs/dbraw/zinc/53/42/10/685534210.db2.gz	JKVLSAHUVOTNLW-MRXNPFEDSA-N	1	1	361.492	2.314	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(NC(=O)OC)CC1	ZINC000852768290	682340677	/nfs/dbraw/zinc/34/06/77/682340677.db2.gz	PYMXGIXLFQBGPE-CQSZACIVSA-N	1	1	365.499	2.472	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCCC)CCO2	ZINC000972593501	682425117	/nfs/dbraw/zinc/42/51/17/682425117.db2.gz	MYFJEOVFLWSKGW-CMKODMSKSA-N	1	1	350.503	2.461	20	30		FEEDMO
C=CCNC(=O)[C@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F	ZINC000787220962	682442627	/nfs/dbraw/zinc/44/26/27/682442627.db2.gz	FPTHCMNPKIJAGN-JTQLQIEISA-N	1	1	350.325	2.052	20	30		FEEDMO
C=CCNc1nc(C(=O)OCCC[NH+]2CCN(C(C)C)CC2)cs1	ZINC000787584822	682466448	/nfs/dbraw/zinc/46/64/48/682466448.db2.gz	LHGKPQHCSZTWDW-UHFFFAOYSA-N	1	1	352.504	2.314	20	30		FEEDMO
C[C@H]1CCSCC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000790480469	682681240	/nfs/dbraw/zinc/68/12/40/682681240.db2.gz	LNGJJWGMJCWQEB-SCLBCKFNSA-N	1	1	358.467	2.110	20	30		FEEDMO
C[C@H]1CCSCC[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000790480469	682681243	/nfs/dbraw/zinc/68/12/43/682681243.db2.gz	LNGJJWGMJCWQEB-SCLBCKFNSA-N	1	1	358.467	2.110	20	30		FEEDMO
C=CC[C@@]1(C(=O)N2CC[N@H+](C)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000790677717	682694626	/nfs/dbraw/zinc/69/46/26/682694626.db2.gz	LEBTWSKNTFEDID-BEFAXECRSA-N	1	1	351.491	2.495	20	30		FEEDMO
C=CC[C@@]1(C(=O)N2CC[N@@H+](C)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000790677717	682694631	/nfs/dbraw/zinc/69/46/31/682694631.db2.gz	LEBTWSKNTFEDID-BEFAXECRSA-N	1	1	351.491	2.495	20	30		FEEDMO
Fc1ccc(/C=C\C=NNC(=S)NCCC[NH+]2CCOCC2)cc1F	ZINC000794871009	683000803	/nfs/dbraw/zinc/00/08/03/683000803.db2.gz	TXUPOJFFGHBWNW-MFKVDARVSA-N	1	1	368.453	2.150	20	30		FEEDMO
C=CCn1nnn(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1=S	ZINC000795691831	683081229	/nfs/dbraw/zinc/08/12/29/683081229.db2.gz	CGCMDNXCCSQBEY-BRWVUGGUSA-N	1	1	357.483	2.457	20	30		FEEDMO
C=CCn1nnn(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1=S	ZINC000795691831	683081232	/nfs/dbraw/zinc/08/12/32/683081232.db2.gz	CGCMDNXCCSQBEY-BRWVUGGUSA-N	1	1	357.483	2.457	20	30		FEEDMO
N#CCSCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F	ZINC000860050516	683194997	/nfs/dbraw/zinc/19/49/97/683194997.db2.gz	XADHWWDKYZPUBD-CRWXNKLISA-N	1	1	361.433	2.364	20	30		FEEDMO
CCCCCCCS(=O)(=O)N[C@@H]1C[C@@]2(C[N@@H+](C)[C@H]2C(C)C)C[C@H]1O	ZINC000920274159	683328314	/nfs/dbraw/zinc/32/83/14/683328314.db2.gz	MMXZJJLTAMFUSO-BDXSIMOUSA-N	1	1	360.564	2.356	20	30		FEEDMO
C#CCN1CCC(NC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1	ZINC000921175081	683403573	/nfs/dbraw/zinc/40/35/73/683403573.db2.gz	VFAKXNIAAOCLJN-GOSISDBHSA-N	1	1	362.905	2.340	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)nn1	ZINC000862397910	683584616	/nfs/dbraw/zinc/58/46/16/683584616.db2.gz	PZFQYXOFEPHTES-CYBMUJFWSA-N	1	1	357.405	2.198	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1	ZINC000862552331	683600809	/nfs/dbraw/zinc/60/08/09/683600809.db2.gz	WKKZEGRUHXHMNA-CQSZACIVSA-N	1	1	370.902	2.113	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CS(=O)(=O)NC)C1	ZINC000862552331	683600812	/nfs/dbraw/zinc/60/08/12/683600812.db2.gz	WKKZEGRUHXHMNA-CQSZACIVSA-N	1	1	370.902	2.113	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(Br)c(F)c1F	ZINC000862947749	683654134	/nfs/dbraw/zinc/65/41/34/683654134.db2.gz	QNZGJZKWABZJGK-LBPRGKRZSA-N	1	1	357.198	2.441	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(Br)c(F)c1F	ZINC000862947749	683654139	/nfs/dbraw/zinc/65/41/39/683654139.db2.gz	QNZGJZKWABZJGK-LBPRGKRZSA-N	1	1	357.198	2.441	20	30		FEEDMO
COCCC[N@H+](Cc1c(C)cc(C#N)cc1C)[C@@H]1CCS(=O)(=O)C1	ZINC000929971143	683663271	/nfs/dbraw/zinc/66/32/71/683663271.db2.gz	MMHYBXTWPXKYPS-QGZVFWFLSA-N	1	1	350.484	2.201	20	30		FEEDMO
COCCC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@@H]1CCS(=O)(=O)C1	ZINC000929971143	683663278	/nfs/dbraw/zinc/66/32/78/683663278.db2.gz	MMHYBXTWPXKYPS-QGZVFWFLSA-N	1	1	350.484	2.201	20	30		FEEDMO
C=CC[N@@H+](C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000929975081	683664226	/nfs/dbraw/zinc/66/42/26/683664226.db2.gz	DMSDPIFLJCNWPB-ARFHVFGLSA-N	1	1	372.531	2.355	20	30		FEEDMO
C=CC[N@H+](C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000929975081	683664230	/nfs/dbraw/zinc/66/42/30/683664230.db2.gz	DMSDPIFLJCNWPB-ARFHVFGLSA-N	1	1	372.531	2.355	20	30		FEEDMO
C(=[NH+]NC[C@H]1COc2ccccc2O1)c1ccc(N2CCOCC2)s1	ZINC000863202428	683684374	/nfs/dbraw/zinc/68/43/74/683684374.db2.gz	BNKJYXTVKWZSLT-AWEZNQCLSA-N	1	1	359.451	2.348	20	30		FEEDMO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12	ZINC000922242662	683686489	/nfs/dbraw/zinc/68/64/89/683686489.db2.gz	MPYQTWDVIOGFQH-OKZBNKHCSA-N	1	1	356.495	2.425	20	30		FEEDMO
CC1(C)Oc2ccsc2[C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@H]1O	ZINC000930549378	683750163	/nfs/dbraw/zinc/75/01/63/683750163.db2.gz	UYYUPEYLBOFYPR-DOTOQJQBSA-N	1	1	357.435	2.421	20	30		FEEDMO
C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CC1(O)CCC(C(=O)OCC)CC1	ZINC000931063808	683825826	/nfs/dbraw/zinc/82/58/26/683825826.db2.gz	VLTHMEUNMZRQMM-VVJOJPPRSA-N	1	1	351.487	2.405	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[N@H+](CC)C1	ZINC000864961549	683914722	/nfs/dbraw/zinc/91/47/22/683914722.db2.gz	BQPCBTGMWHFKDK-UONOGXRCSA-N	1	1	359.898	2.480	20	30		FEEDMO
N#CCc1ccsc1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000866215829	684083628	/nfs/dbraw/zinc/08/36/28/684083628.db2.gz	LXJVXYRDQRGVFQ-LJQANCHMSA-N	1	1	355.463	2.181	20	30		FEEDMO
C=CCCSCCNC(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O	ZINC000923226571	684244993	/nfs/dbraw/zinc/24/49/93/684244993.db2.gz	CCALGIDRYDPJKX-VXIBKDFQSA-N	1	1	369.575	2.465	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)C1	ZINC000923591919	684310343	/nfs/dbraw/zinc/31/03/43/684310343.db2.gz	HFODRIPYFSITGG-ZWKOTPCHSA-N	1	1	361.873	2.121	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)C1	ZINC000923591919	684310346	/nfs/dbraw/zinc/31/03/46/684310346.db2.gz	HFODRIPYFSITGG-ZWKOTPCHSA-N	1	1	361.873	2.121	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2nn(C(C)C)cc2Br)C1	ZINC000923596602	684311360	/nfs/dbraw/zinc/31/13/60/684311360.db2.gz	IKBXZACIDLWTKR-GFCCVEGCSA-N	1	1	353.264	2.054	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nn(C(C)C)cc2Br)C1	ZINC000923596602	684311363	/nfs/dbraw/zinc/31/13/63/684311363.db2.gz	IKBXZACIDLWTKR-GFCCVEGCSA-N	1	1	353.264	2.054	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CCOCCC#N)C[C@H]1C(F)(F)F	ZINC000931969757	684377440	/nfs/dbraw/zinc/37/74/40/684377440.db2.gz	FVMUXWIGSVNCOI-VXGBXAGGSA-N	1	1	351.369	2.304	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CCOCCC#N)C[C@H]1C(F)(F)F	ZINC000931969757	684377445	/nfs/dbraw/zinc/37/74/45/684377445.db2.gz	FVMUXWIGSVNCOI-VXGBXAGGSA-N	1	1	351.369	2.304	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1C(F)(F)CC	ZINC000873896102	685241819	/nfs/dbraw/zinc/24/18/19/685241819.db2.gz	NUFHSDMLZXGMGE-UHFFFAOYSA-N	1	1	351.397	2.198	20	30		FEEDMO
C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1	ZINC000878136485	686527975	/nfs/dbraw/zinc/52/79/75/686527975.db2.gz	AEXSYLQJBWWZGM-QWHCGFSZSA-N	1	1	350.381	2.227	20	30		FEEDMO
Cn1nnnc1C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1	ZINC000879916521	686944816	/nfs/dbraw/zinc/94/48/16/686944816.db2.gz	ODGDCSFJIWNIDD-UHFFFAOYSA-N	1	1	361.247	2.224	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)cc1	ZINC000880045428	686984411	/nfs/dbraw/zinc/98/44/11/686984411.db2.gz	XEXPMVJCRVXCOR-ZBFHGGJFSA-N	1	1	358.360	2.146	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](C(F)(F)F)CC2)cc1	ZINC000880045428	686984412	/nfs/dbraw/zinc/98/44/12/686984412.db2.gz	XEXPMVJCRVXCOR-ZBFHGGJFSA-N	1	1	358.360	2.146	20	30		FEEDMO
N#Cc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c(F)cc1F	ZINC000880716032	687077903	/nfs/dbraw/zinc/07/79/03/687077903.db2.gz	MKINXEXLJTUHGI-ZDUSSCGKSA-N	1	1	352.385	2.195	20	30		FEEDMO
C=CCCc1ccc(S(=O)(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1	ZINC000881924420	687261933	/nfs/dbraw/zinc/26/19/33/687261933.db2.gz	MFNAERGPXCLFIK-UHFFFAOYSA-N	1	1	366.527	2.273	20	30		FEEDMO
N#Cc1cnc(N2CC[NH+](C3CCOCC3)CC2)c(Br)c1	ZINC000882049457	687293103	/nfs/dbraw/zinc/29/31/03/687293103.db2.gz	UYADHFLYBIKAIV-UHFFFAOYSA-N	1	1	351.248	2.017	20	30		FEEDMO
CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883111149	687567366	/nfs/dbraw/zinc/56/73/66/687567366.db2.gz	VFRCINAAMSCWIC-SNVBAGLBSA-N	1	1	352.236	2.274	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883111149	687567373	/nfs/dbraw/zinc/56/73/73/687567373.db2.gz	VFRCINAAMSCWIC-SNVBAGLBSA-N	1	1	352.236	2.274	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(Br)c(C#N)n2)C1	ZINC000883116797	687569564	/nfs/dbraw/zinc/56/95/64/687569564.db2.gz	GGFOWUQEBLLHFY-SNVBAGLBSA-N	1	1	352.236	2.322	20	30		FEEDMO
CCN(C(=O)Nc1ccc(Br)c(C#N)n1)[C@@H]1CC[N@@H+](C)C1	ZINC000883117287	687569651	/nfs/dbraw/zinc/56/96/51/687569651.db2.gz	VUGRWSZTMVNHHT-SNVBAGLBSA-N	1	1	352.236	2.274	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)NCCc2cccc(C(F)(F)F)n2)C1	ZINC000884372039	687857853	/nfs/dbraw/zinc/85/78/53/687857853.db2.gz	FBSGVZXJUQAPQT-AWEZNQCLSA-N	1	1	354.376	2.040	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)NCCc2cccc(C(F)(F)F)n2)C1	ZINC000884372039	687857857	/nfs/dbraw/zinc/85/78/57/687857857.db2.gz	FBSGVZXJUQAPQT-AWEZNQCLSA-N	1	1	354.376	2.040	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2nc(C)cs2)C1	ZINC000886696350	688291849	/nfs/dbraw/zinc/29/18/49/688291849.db2.gz	MPMPDOKHZBLOIK-ZIAGYGMSSA-N	1	1	350.488	2.106	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@H](c4nccs4)C3)C2=O)cc1	ZINC000887303642	688403071	/nfs/dbraw/zinc/40/30/71/688403071.db2.gz	YZBSFSIWICPMKF-ZFWWWQNUSA-N	1	1	352.419	2.136	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@H](c4nccs4)C3)C2=O)cc1	ZINC000887303642	688403073	/nfs/dbraw/zinc/40/30/73/688403073.db2.gz	YZBSFSIWICPMKF-ZFWWWQNUSA-N	1	1	352.419	2.136	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](c2cccs2)C2(CO)CCC2)C1	ZINC000890363336	688910791	/nfs/dbraw/zinc/91/07/91/688910791.db2.gz	MURBVKWWZQBQPX-NVXWUHKLSA-N	1	1	361.511	2.349	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](c2cccs2)C2(CO)CCC2)C1	ZINC000890363336	688910794	/nfs/dbraw/zinc/91/07/94/688910794.db2.gz	MURBVKWWZQBQPX-NVXWUHKLSA-N	1	1	361.511	2.349	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000893700237	689388576	/nfs/dbraw/zinc/38/85/76/689388576.db2.gz	VSBKJLDEFQLVCS-SJORKVTESA-N	1	1	362.499	2.405	20	30		FEEDMO
CC#CC[C@H](CO)[NH2+]Cc1cc(C(C)(C)NC(=O)OC(C)(C)C)no1	ZINC000895097982	689660696	/nfs/dbraw/zinc/66/06/96/689660696.db2.gz	HWBFVGYQDZXRSL-CYBMUJFWSA-N	1	1	351.447	2.298	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1	ZINC000898169179	690137992	/nfs/dbraw/zinc/13/79/92/690137992.db2.gz	VETJNLWHUOGKRM-QLFBSQMISA-N	1	1	371.909	2.432	20	30		FEEDMO
C[N@H+]1CCC[C@](O)(CC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000900941575	690591403	/nfs/dbraw/zinc/59/14/03/690591403.db2.gz	JMLISZOXLIEYFP-KRWDZBQOSA-N	1	1	354.372	2.020	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1C=NO)C2	ZINC001164818806	720151318	/nfs/dbraw/zinc/15/13/18/720151318.db2.gz	UTNFGDJQVOMPGJ-UYAOXDASSA-N	1	1	358.486	2.383	20	30		FEEDMO
C=CCNC(=O)c1cccnc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164732054	720435282	/nfs/dbraw/zinc/43/52/82/720435282.db2.gz	MWZSBYKIXZFSPI-RBUKOAKNSA-N	1	1	363.465	2.246	20	30		FEEDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3cncc(CC#N)n3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164843581	720584895	/nfs/dbraw/zinc/58/48/95/720584895.db2.gz	YIFXNDLXWFAPBY-NZSAHSFTSA-N	1	1	365.485	2.117	20	30		FEEDMO
CC(C)c1ccc(C#N)c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)n1	ZINC001164742261	720631473	/nfs/dbraw/zinc/63/14/73/720631473.db2.gz	MJSRXIBFVYPXMV-DLBZAZTESA-N	1	1	364.453	2.209	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3nccc4ccc(C#N)cc43)CC[C@H]2C1	ZINC001164850138	720849423	/nfs/dbraw/zinc/84/94/23/720849423.db2.gz	DMNDERRXXJBIEQ-ICSRJNTNSA-N	1	1	366.465	2.280	20	30		FEEDMO
Cc1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1C#N	ZINC001164883565	721407664	/nfs/dbraw/zinc/40/76/64/721407664.db2.gz	AWIJFFUCFUJLJQ-RXVVDRJESA-N	1	1	369.513	2.027	20	30		FEEDMO
Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1C#N	ZINC001164912383	721548497	/nfs/dbraw/zinc/54/84/97/721548497.db2.gz	ZJXHWTNLUGLBPD-WBVHZDCISA-N	1	1	353.401	2.138	20	30		FEEDMO
N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2	ZINC001164967303	722072638	/nfs/dbraw/zinc/07/26/38/722072638.db2.gz	MTOROOBQLPERAM-OKILXGFUSA-N	1	1	368.815	2.451	20	30		FEEDMO
N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2	ZINC001164967303	722072639	/nfs/dbraw/zinc/07/26/39/722072639.db2.gz	MTOROOBQLPERAM-OKILXGFUSA-N	1	1	368.815	2.451	20	30		FEEDMO
N#CCc1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1	ZINC001164978005	722131537	/nfs/dbraw/zinc/13/15/37/722131537.db2.gz	JDCCMRNTNVGVQO-UXHICEINSA-N	1	1	363.465	2.270	20	30		FEEDMO
Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCC[NH+]1CCN(C)CC1	ZINC000549197176	674023739	/nfs/dbraw/zinc/02/37/39/674023739.db2.gz	PFFIKZPKRFCEEJ-UHFFFAOYSA-N	1	1	358.873	2.473	20	30		FEEDMO
C[N@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)Cc1cccc(C#N)c1	ZINC000026329792	539783784	/nfs/dbraw/zinc/78/37/84/539783784.db2.gz	IMDJFSAVUIIQBC-UHFFFAOYSA-N	1	1	359.433	2.492	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)Cc1cccc(C#N)c1	ZINC000026329792	539783788	/nfs/dbraw/zinc/78/37/88/539783788.db2.gz	IMDJFSAVUIIQBC-UHFFFAOYSA-N	1	1	359.433	2.492	20	30		FEEDMO
C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000029985939	539871427	/nfs/dbraw/zinc/87/14/27/539871427.db2.gz	JEAXQEUILAPRPF-INIZCTEOSA-N	1	1	370.497	2.143	20	30		FEEDMO
C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000029985939	539871430	/nfs/dbraw/zinc/87/14/30/539871430.db2.gz	JEAXQEUILAPRPF-INIZCTEOSA-N	1	1	370.497	2.143	20	30		FEEDMO
O=C1Nc2cccc(C(F)(F)F)c2C1=NNC1=[NH+][C@H]2CCCC[C@@H]2N1	ZINC000800815450	674077785	/nfs/dbraw/zinc/07/77/85/674077785.db2.gz	ZFLUTZYJOHBOLU-UWVGGRQHSA-N	1	1	351.332	2.222	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1	ZINC000042979227	540084682	/nfs/dbraw/zinc/08/46/82/540084682.db2.gz	XWHATIMRXVXYJX-OXQOHEQNSA-N	1	1	362.518	2.154	20	30		FEEDMO
Cc1ccnc(NC(=O)C2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1	ZINC000047261777	540299484	/nfs/dbraw/zinc/29/94/84/540299484.db2.gz	HWMJMPICPHVACV-FQEVSTJZSA-N	1	1	371.485	2.095	20	30		FEEDMO
C=CCN(CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)Cc1cccs1	ZINC000050274458	540403602	/nfs/dbraw/zinc/40/36/02/540403602.db2.gz	JHAQHLULLADGDL-KRWDZBQOSA-N	1	1	365.543	2.209	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000051056718	540421089	/nfs/dbraw/zinc/42/10/89/540421089.db2.gz	INLXUMQGJDUEEJ-IRXDYDNUSA-N	1	1	362.518	2.346	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000051056718	540421092	/nfs/dbraw/zinc/42/10/92/540421092.db2.gz	INLXUMQGJDUEEJ-IRXDYDNUSA-N	1	1	362.518	2.346	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1)C1(C#N)CCCCC1	ZINC000051557015	540437803	/nfs/dbraw/zinc/43/78/03/540437803.db2.gz	VLWIXACLAVLZDY-GOSISDBHSA-N	1	1	374.529	2.396	20	30		FEEDMO
N#Cc1ccsc1C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000052032383	540452059	/nfs/dbraw/zinc/45/20/59/540452059.db2.gz	BQAZDGMJDHRNQP-OAHLLOKOSA-N	1	1	354.435	2.322	20	30		FEEDMO
N#Cc1ccsc1C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000052032383	540452060	/nfs/dbraw/zinc/45/20/60/540452060.db2.gz	BQAZDGMJDHRNQP-OAHLLOKOSA-N	1	1	354.435	2.322	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C[C@@H]1CCCO1	ZINC000052102730	540454996	/nfs/dbraw/zinc/45/49/96/540454996.db2.gz	PQPJMNOXYIDIGM-INIZCTEOSA-N	1	1	362.474	2.062	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)C[C@@H]1CCCO1	ZINC000052102730	540454997	/nfs/dbraw/zinc/45/49/97/540454997.db2.gz	PQPJMNOXYIDIGM-INIZCTEOSA-N	1	1	362.474	2.062	20	30		FEEDMO
C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000535545027	540481727	/nfs/dbraw/zinc/48/17/27/540481727.db2.gz	CAASBYZJQGKMRY-CTASWTNQSA-N	1	1	360.506	2.057	20	30		FEEDMO
COCCOc1cccc(CNC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)c1	ZINC000052580897	540474527	/nfs/dbraw/zinc/47/45/27/540474527.db2.gz	QUIIMVWFHBRTHY-UHFFFAOYSA-N	1	1	367.449	2.332	20	30		FEEDMO
COCCOc1cccc(CNC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)c1	ZINC000052580897	540474531	/nfs/dbraw/zinc/47/45/31/540474531.db2.gz	QUIIMVWFHBRTHY-UHFFFAOYSA-N	1	1	367.449	2.332	20	30		FEEDMO
C[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(OC(F)F)cc1	ZINC000052919986	540499520	/nfs/dbraw/zinc/49/95/20/540499520.db2.gz	QEOYGDJVUNTUSV-UHFFFAOYSA-N	1	1	350.369	2.376	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(OC(F)F)cc1	ZINC000052919986	540499524	/nfs/dbraw/zinc/49/95/24/540499524.db2.gz	QEOYGDJVUNTUSV-UHFFFAOYSA-N	1	1	350.369	2.376	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(C(=O)N2CCCC2)CC1)C1(C#N)CCCCC1	ZINC000053846193	540557942	/nfs/dbraw/zinc/55/79/42/540557942.db2.gz	ZOGAENZJSGWWNK-UHFFFAOYSA-N	1	1	360.502	2.006	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H](C2OCCO2)C1	ZINC000076294531	542256628	/nfs/dbraw/zinc/25/66/28/542256628.db2.gz	LYJGNKQLCDXLQQ-SJORKVTESA-N	1	1	357.454	2.407	20	30		FEEDMO
COc1ccc(C(=O)C2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)cc1	ZINC000054886798	540615662	/nfs/dbraw/zinc/61/56/62/540615662.db2.gz	QGLPZRPKQSQVQS-HNNXBMFYSA-N	1	1	357.454	2.350	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cccc(C#N)c3)cc2)CC1	ZINC000056027587	540695178	/nfs/dbraw/zinc/69/51/78/540695178.db2.gz	WXPGZVYITNQMDW-UHFFFAOYSA-N	1	1	362.433	2.127	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)C(C)C	ZINC000076300556	542257815	/nfs/dbraw/zinc/25/78/15/542257815.db2.gz	IZIPTRVYPHTRRY-UHFFFAOYSA-N	1	1	370.375	2.362	20	30		FEEDMO
CN(C1CC[NH+](Cc2ccncc2)CC1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000058508769	540846788	/nfs/dbraw/zinc/84/67/88/540846788.db2.gz	CTBNFLJOQPQFDN-UHFFFAOYSA-N	1	1	370.478	2.238	20	30		FEEDMO
COC(=O)C1CCN(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)CC1	ZINC000060208216	540869630	/nfs/dbraw/zinc/86/96/30/540869630.db2.gz	ZQJKHTPKJUPGIH-UHFFFAOYSA-N	1	1	357.454	2.180	20	30		FEEDMO
C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000060943283	541123835	/nfs/dbraw/zinc/12/38/35/541123835.db2.gz	CIAOTAWNOMDHLA-GOSISDBHSA-N	1	1	368.433	2.396	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[N@H+](C(C)(C)C)CC1	ZINC000063724833	541181398	/nfs/dbraw/zinc/18/13/98/541181398.db2.gz	JJGYHHBMOJHUIT-UHFFFAOYSA-N	1	1	358.486	2.129	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1	ZINC000065262032	541231739	/nfs/dbraw/zinc/23/17/39/541231739.db2.gz	YJTUBDIRTQMOFU-UHFFFAOYSA-N	1	1	361.511	2.451	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1	ZINC000065963008	541275507	/nfs/dbraw/zinc/27/55/07/541275507.db2.gz	DMBOAIIOLICQJT-MRXNPFEDSA-N	1	1	362.518	2.155	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+]([C@@H](C)c2ccc(OC(F)F)cc2)CC1	ZINC000066411698	541314276	/nfs/dbraw/zinc/31/42/76/541314276.db2.gz	JJJPZQKRFDSVNT-AWEZNQCLSA-N	1	1	353.413	2.269	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1	ZINC000068831368	541633957	/nfs/dbraw/zinc/63/39/57/541633957.db2.gz	DXNSHUWQISTQMP-UHFFFAOYSA-N	1	1	374.268	2.190	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1	ZINC000068831368	541633958	/nfs/dbraw/zinc/63/39/58/541633958.db2.gz	DXNSHUWQISTQMP-UHFFFAOYSA-N	1	1	374.268	2.190	20	30		FEEDMO
CC[N@@H+](CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)C1CC1	ZINC000069111077	541658364	/nfs/dbraw/zinc/65/83/64/541658364.db2.gz	GQTNBJYNTHZHFU-MRXNPFEDSA-N	1	1	373.476	2.450	20	30		FEEDMO
C[C@H](CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)[N@@H+](C)C1CC1	ZINC000069440502	541686979	/nfs/dbraw/zinc/68/69/79/541686979.db2.gz	RCKACKRYFWHKCI-ZBFHGGJFSA-N	1	1	373.476	2.448	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)CC1CCCCC1	ZINC000069859912	541719808	/nfs/dbraw/zinc/71/98/08/541719808.db2.gz	NNKVAYZYLZUHGC-UHFFFAOYSA-N	1	1	365.499	2.341	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](CCO)C2CC2)c1C#N	ZINC000071956050	541777338	/nfs/dbraw/zinc/77/73/38/541777338.db2.gz	NSEDKHASYUEQNX-UHFFFAOYSA-N	1	1	356.426	2.013	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](CCO)C2CC2)c1C#N	ZINC000071956050	541777341	/nfs/dbraw/zinc/77/73/41/541777341.db2.gz	NSEDKHASYUEQNX-UHFFFAOYSA-N	1	1	356.426	2.013	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[N@@H+]1C	ZINC000544637451	541798562	/nfs/dbraw/zinc/79/85/62/541798562.db2.gz	GWWWIOGILMNMOS-OLZOCXBDSA-N	1	1	356.405	2.439	20	30		FEEDMO
N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCC[NH+]1CCOCC1	ZINC000073426049	541953087	/nfs/dbraw/zinc/95/30/87/541953087.db2.gz	WNMVIMYYMFCCLZ-RTBURBONSA-N	1	1	356.470	2.190	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H](C)c2cccc(C#N)c2)CC1	ZINC000074659208	542109858	/nfs/dbraw/zinc/10/98/58/542109858.db2.gz	NPMPQPUKMBJPRA-IAGOWNOFSA-N	1	1	357.502	2.192	20	30		FEEDMO
CCN1CC[NH+](CCC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1	ZINC000075536203	542186054	/nfs/dbraw/zinc/18/60/54/542186054.db2.gz	AJARLTZONXQSRU-VQTJNVASSA-N	1	1	354.498	2.312	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1	ZINC000077276595	542360941	/nfs/dbraw/zinc/36/09/41/542360941.db2.gz	YCJMASCOADNBQV-QGZVFWFLSA-N	1	1	359.470	2.430	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)N2CCC[N@H+](CCOC)CC2)cc1OC	ZINC000077742880	542414847	/nfs/dbraw/zinc/41/48/47/542414847.db2.gz	PQQXOVNKVRZTBQ-VQHVLOKHSA-N	1	1	374.481	2.454	20	30		FEEDMO
Cc1cc(NC2CC[NH+](CC(N)=O)CC2)n2c3ccccc3nc2c1C#N	ZINC000078330654	542455433	/nfs/dbraw/zinc/45/54/33/542455433.db2.gz	ISTQCDOVFOTHST-UHFFFAOYSA-N	1	1	362.437	2.029	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)NCc1ccccc1C[NH+]1CCCCC1	ZINC000078805146	542481576	/nfs/dbraw/zinc/48/15/76/542481576.db2.gz	RCOWALODJSMNDO-INIZCTEOSA-N	1	1	358.486	2.162	20	30		FEEDMO
CO[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)C	ZINC000080603474	542596233	/nfs/dbraw/zinc/59/62/33/542596233.db2.gz	TWHCIYWSTPMRTQ-IBGZPJMESA-N	1	1	358.486	2.447	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCOc2ccc(C#N)cc2)C1	ZINC000080707007	542602570	/nfs/dbraw/zinc/60/25/70/542602570.db2.gz	MBNARRZDAZQOKO-SFHVURJKSA-N	1	1	356.470	2.310	20	30		FEEDMO
CC[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000551742933	674161068	/nfs/dbraw/zinc/16/10/68/674161068.db2.gz	QHIQOSJHMSMCKD-LBPRGKRZSA-N	1	1	362.499	2.408	20	30		FEEDMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000551742933	674161070	/nfs/dbraw/zinc/16/10/70/674161070.db2.gz	QHIQOSJHMSMCKD-LBPRGKRZSA-N	1	1	362.499	2.408	20	30		FEEDMO
Cc1nn(-c2ccccc2)c(CN2CCC[C@H]2C[NH+]2CCOCC2)c1C#N	ZINC000091070764	542792909	/nfs/dbraw/zinc/79/29/09/542792909.db2.gz	HYQVVCOGWMHQJN-IBGZPJMESA-N	1	1	365.481	2.349	20	30		FEEDMO
C=CCOc1ccc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)cc1OC	ZINC000092530228	542869294	/nfs/dbraw/zinc/86/92/94/542869294.db2.gz	GBGSCYFXCHWKFL-UHFFFAOYSA-N	1	1	368.499	2.116	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCCOc2ccccc2)CC1	ZINC000092617019	542875234	/nfs/dbraw/zinc/87/52/34/542875234.db2.gz	MYHBVFYMGLRPOX-FQEVSTJZSA-N	1	1	372.513	2.080	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc(OC)c1O	ZINC000093014325	542901925	/nfs/dbraw/zinc/90/19/25/542901925.db2.gz	RQEYREJKHDIBNM-GOSISDBHSA-N	1	1	374.481	2.343	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc(OC)c1O	ZINC000093014325	542901928	/nfs/dbraw/zinc/90/19/28/542901928.db2.gz	RQEYREJKHDIBNM-GOSISDBHSA-N	1	1	374.481	2.343	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)[N@@H+](C)C1CC1	ZINC000105264887	543167905	/nfs/dbraw/zinc/16/79/05/543167905.db2.gz	WEJDWVUDUOVMHF-AWEZNQCLSA-N	1	1	359.449	2.012	20	30		FEEDMO
CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)C(N)=O	ZINC000106444043	543230177	/nfs/dbraw/zinc/23/01/77/543230177.db2.gz	GSEAJGZLMIBWOZ-HNNXBMFYSA-N	1	1	362.499	2.317	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](N2CCCC2=O)C1	ZINC000111292330	543392740	/nfs/dbraw/zinc/39/27/40/543392740.db2.gz	BNNOGWOBPAQYCF-IOBOIYPZSA-N	1	1	374.529	2.393	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H](N2CCCC2=O)C1	ZINC000111292330	543392741	/nfs/dbraw/zinc/39/27/41/543392741.db2.gz	BNNOGWOBPAQYCF-IOBOIYPZSA-N	1	1	374.529	2.393	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1	ZINC000111348246	543398293	/nfs/dbraw/zinc/39/82/93/543398293.db2.gz	UJTLMZGVOSNYDD-INIZCTEOSA-N	1	1	357.479	2.498	20	30		FEEDMO
C#CCOc1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)cc1	ZINC000113319272	543484026	/nfs/dbraw/zinc/48/40/26/543484026.db2.gz	UDSDVZWWHFGGFL-UHFFFAOYSA-N	1	1	358.463	2.239	20	30		FEEDMO
C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)N1CCN(C)CC1	ZINC000113336600	543484531	/nfs/dbraw/zinc/48/45/31/543484531.db2.gz	UCMXLFTZRNLHOI-GOSISDBHSA-N	1	1	366.513	2.189	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(c2ncccc2C#N)CC1	ZINC000113406852	543487274	/nfs/dbraw/zinc/48/72/74/543487274.db2.gz	NHMUDODEJHZWTD-GOSISDBHSA-N	1	1	370.501	2.049	20	30		FEEDMO
COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)CCC#N)cc1OC	ZINC000114724745	543533033	/nfs/dbraw/zinc/53/30/33/543533033.db2.gz	YUKCZEDQLIWXFE-QGZVFWFLSA-N	1	1	370.453	2.497	20	30		FEEDMO
COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)cc1OC	ZINC000114724745	543533035	/nfs/dbraw/zinc/53/30/35/543533035.db2.gz	YUKCZEDQLIWXFE-QGZVFWFLSA-N	1	1	370.453	2.497	20	30		FEEDMO
COC(=O)[C@H](C)C[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000120750489	543684398	/nfs/dbraw/zinc/68/43/98/543684398.db2.gz	GQHNCGQWLKJBFA-CYBMUJFWSA-N	1	1	351.834	2.328	20	30		FEEDMO
COC(=O)[C@H](C)C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000120750489	543684399	/nfs/dbraw/zinc/68/43/99/543684399.db2.gz	GQHNCGQWLKJBFA-CYBMUJFWSA-N	1	1	351.834	2.328	20	30		FEEDMO
C#CCSCCNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC	ZINC000121469335	543694912	/nfs/dbraw/zinc/69/49/12/543694912.db2.gz	LAAOVOWSXBHCEX-GOSISDBHSA-N	1	1	360.527	2.444	20	30		FEEDMO
N#CCN1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1	ZINC000122884098	543729937	/nfs/dbraw/zinc/72/99/37/543729937.db2.gz	RVJQWXLDSSUFMU-FQEVSTJZSA-N	1	1	354.498	2.393	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CC(C)(C)CN1CCOCC1	ZINC000124347272	543815981	/nfs/dbraw/zinc/81/59/81/543815981.db2.gz	XNAYAMWZIXNJQG-MRXNPFEDSA-N	1	1	358.486	2.175	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000124347272	543815983	/nfs/dbraw/zinc/81/59/83/543815983.db2.gz	XNAYAMWZIXNJQG-MRXNPFEDSA-N	1	1	358.486	2.175	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124069246	543799547	/nfs/dbraw/zinc/79/95/47/543799547.db2.gz	OVLGSENKYGSSOP-GFCCVEGCSA-N	1	1	357.426	2.379	20	30		FEEDMO
C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000124069246	543799550	/nfs/dbraw/zinc/79/95/50/543799550.db2.gz	OVLGSENKYGSSOP-GFCCVEGCSA-N	1	1	357.426	2.379	20	30		FEEDMO
CN(C(=O)CSCC#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000124778083	543842405	/nfs/dbraw/zinc/84/24/05/543842405.db2.gz	OOSKEMYMULGFSV-SJORKVTESA-N	1	1	352.548	2.039	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1	ZINC000124867093	543847678	/nfs/dbraw/zinc/84/76/78/543847678.db2.gz	KOFNPDXQITWDRX-WOJBJXKFSA-N	1	1	358.530	2.243	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+](C)CC(=O)NC3CC3)sc2C1	ZINC000126612303	543946868	/nfs/dbraw/zinc/94/68/68/543946868.db2.gz	YPOQBUMBCBQUKL-GFCCVEGCSA-N	1	1	374.510	2.284	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C[N@H+]1C1CC1	ZINC000127325697	543985882	/nfs/dbraw/zinc/98/58/82/543985882.db2.gz	DLOZLQIMTZKOLA-DOTOQJQBSA-N	1	1	353.470	2.015	20	30		FEEDMO
CCc1nc(CN2CC[NH+](CCCOc3cccc(C#N)c3)CC2)no1	ZINC000128819084	544074397	/nfs/dbraw/zinc/07/43/97/544074397.db2.gz	BRDJYMKRWXHMRM-UHFFFAOYSA-N	1	1	355.442	2.090	20	30		FEEDMO
N#CCCN(C(=O)C[NH+]1CCC(OC[C@@H]2CCOC2)CC1)c1ccccc1	ZINC000132056497	544216884	/nfs/dbraw/zinc/21/68/84/544216884.db2.gz	ZCVKGVTZCZNYKC-GOSISDBHSA-N	1	1	371.481	2.451	20	30		FEEDMO
C=C(C)COCCNC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000135016050	544330861	/nfs/dbraw/zinc/33/08/61/544330861.db2.gz	NSKDHSVMFLAGSY-GOSISDBHSA-N	1	1	360.502	2.089	20	30		FEEDMO
Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153328365	544762756	/nfs/dbraw/zinc/76/27/56/544762756.db2.gz	GCGLQKYZPBTZAH-CQSZACIVSA-N	1	1	354.458	2.372	20	30		FEEDMO
CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1	ZINC000153341306	544763770	/nfs/dbraw/zinc/76/37/70/544763770.db2.gz	BGWZAXUIKGGWCO-CYBMUJFWSA-N	1	1	354.458	2.318	20	30		FEEDMO
CNC(=O)CCC[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	ZINC000155168257	544997628	/nfs/dbraw/zinc/99/76/28/544997628.db2.gz	UONPHENEYQOXEP-UHFFFAOYSA-N	1	1	373.501	2.488	20	30		FEEDMO
CCC[N@H+]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1	ZINC000155055644	544982029	/nfs/dbraw/zinc/98/20/29/544982029.db2.gz	ASGSMHJOVMOQMT-UHFFFAOYSA-N	1	1	372.469	2.228	20	30		FEEDMO
C#C[C@H](NC(=O)CC[NH+]1CCN(CC)CC1)c1ccc(Cl)cc1F	ZINC000804420414	674285570	/nfs/dbraw/zinc/28/55/70/674285570.db2.gz	HVXDAVNEJIPYDT-KRWDZBQOSA-N	1	1	351.853	2.297	20	30		FEEDMO
C[C@@H](CCN1CCN(C)CC1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000186577390	327969068	/nfs/dbraw/zinc/96/90/68/327969068.db2.gz	SPQVLDGWZINKNQ-IBGZPJMESA-N	1	1	369.557	2.138	20	30		FEEDMO
COC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)O1	ZINC000189415385	328146722	/nfs/dbraw/zinc/14/67/22/328146722.db2.gz	SICLGDUTRWGKBA-IUODEOHRSA-N	1	1	351.834	2.276	20	30		FEEDMO
COCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000189662051	328160826	/nfs/dbraw/zinc/16/08/26/328160826.db2.gz	NHGFJNKFSYGLLB-WFASDCNBSA-N	1	1	351.834	2.276	20	30		FEEDMO
COCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000189662051	328160827	/nfs/dbraw/zinc/16/08/27/328160827.db2.gz	NHGFJNKFSYGLLB-WFASDCNBSA-N	1	1	351.834	2.276	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000192523317	328323580	/nfs/dbraw/zinc/32/35/80/328323580.db2.gz	WIODIVXDJNTUJA-OAHLLOKOSA-N	1	1	373.501	2.434	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000192752347	328337453	/nfs/dbraw/zinc/33/74/53/328337453.db2.gz	ZCLOGPYCKKKTMX-HUUCEWRRSA-N	1	1	373.501	2.290	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F	ZINC000192987415	328350737	/nfs/dbraw/zinc/35/07/37/328350737.db2.gz	UXXXUOTUVGZPPX-INIZCTEOSA-N	1	1	373.453	2.498	20	30		FEEDMO
C[N@@H+]1C[C@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@H]2C1	ZINC000193654813	328388182	/nfs/dbraw/zinc/38/81/82/328388182.db2.gz	UITLOWPAKXUFHA-OKILXGFUSA-N	1	1	358.511	2.321	20	30		FEEDMO
CN(C(=O)c1ccnc(C#N)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000193679196	328389267	/nfs/dbraw/zinc/38/92/67/328389267.db2.gz	PHNZJKQEKNBZPK-UXHICEINSA-N	1	1	369.513	2.362	20	30		FEEDMO
CC(C)N(C)C(=O)C1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000030273428	324456262	/nfs/dbraw/zinc/45/62/62/324456262.db2.gz	LSRFXNNUTXRHPP-IBGZPJMESA-N	1	1	368.481	2.242	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1	ZINC000048767574	324673551	/nfs/dbraw/zinc/67/35/51/324673551.db2.gz	JSFGMMYRJZHYJH-INIZCTEOSA-N	1	1	352.394	2.043	20	30		FEEDMO
COC(=O)[C@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)c1cccc(C#N)c1	ZINC000083032473	325211526	/nfs/dbraw/zinc/21/15/26/325211526.db2.gz	NVOVPYMZGRUCEW-LJQANCHMSA-N	1	1	366.421	2.385	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000088778612	325301392	/nfs/dbraw/zinc/30/13/92/325301392.db2.gz	IVSRSHYRUHYPJQ-UHFFFAOYSA-N	1	1	359.817	2.252	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@@H+]3CCN4C(=O)NC[C@@H]4C3)c2)c1	ZINC000091865184	325396728	/nfs/dbraw/zinc/39/67/28/325396728.db2.gz	RWIIOVBPXSMPOI-LJQANCHMSA-N	1	1	362.433	2.347	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@H+]3CCN4C(=O)NC[C@@H]4C3)c2)c1	ZINC000091865184	325396729	/nfs/dbraw/zinc/39/67/29/325396729.db2.gz	RWIIOVBPXSMPOI-LJQANCHMSA-N	1	1	362.433	2.347	20	30		FEEDMO
CC(=O)Nc1ccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1	ZINC000091936660	325398638	/nfs/dbraw/zinc/39/86/38/325398638.db2.gz	IWAKIPWVIVBJDF-CQSZACIVSA-N	1	1	350.426	2.017	20	30		FEEDMO
CC(=O)Nc1ccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1	ZINC000091936660	325398640	/nfs/dbraw/zinc/39/86/40/325398640.db2.gz	IWAKIPWVIVBJDF-CQSZACIVSA-N	1	1	350.426	2.017	20	30		FEEDMO
N#Cc1ccc(CC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1	ZINC000116454019	326016657	/nfs/dbraw/zinc/01/66/57/326016657.db2.gz	NFANDCCHQWIHMJ-IBGZPJMESA-N	1	1	362.433	2.189	20	30		FEEDMO
N#Cc1ccc(CC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1	ZINC000116454019	326016663	/nfs/dbraw/zinc/01/66/63/326016663.db2.gz	NFANDCCHQWIHMJ-IBGZPJMESA-N	1	1	362.433	2.189	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000118112931	326081813	/nfs/dbraw/zinc/08/18/13/326081813.db2.gz	ICPUITMSKYTMRQ-CYBMUJFWSA-N	1	1	362.861	2.387	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1	ZINC000119014993	326118215	/nfs/dbraw/zinc/11/82/15/326118215.db2.gz	FTAHTDXMWJSXER-CYBMUJFWSA-N	1	1	358.833	2.154	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1	ZINC000119014993	326118217	/nfs/dbraw/zinc/11/82/17/326118217.db2.gz	FTAHTDXMWJSXER-CYBMUJFWSA-N	1	1	358.833	2.154	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000119092531	326126382	/nfs/dbraw/zinc/12/63/82/326126382.db2.gz	NNONPYPVWVFMMD-UHFFFAOYSA-N	1	1	352.847	2.427	20	30		FEEDMO
CC[C@@H]1CN(Cc2ncc(-c3ccc(C#N)cc3)o2)CC[N@H+]1C[C@@H](C)O	ZINC000119152105	326131816	/nfs/dbraw/zinc/13/18/16/326131816.db2.gz	GVIWOIJZGJBFHR-CRAIPNDOSA-N	1	1	354.454	2.490	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000120466848	326261083	/nfs/dbraw/zinc/26/10/83/326261083.db2.gz	CJNVIBSBVHAUNR-GDBMZVCRSA-N	1	1	372.469	2.225	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(N4CCCCC4=O)CC3)C2=O)cc1	ZINC000153074286	326723273	/nfs/dbraw/zinc/72/32/73/326723273.db2.gz	BCNZOMXJHHNTKO-LJQANCHMSA-N	1	1	366.465	2.140	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)C[NH+]1CCOCC1	ZINC000163358975	327049530	/nfs/dbraw/zinc/04/95/30/327049530.db2.gz	LZCGSLXCYNXOJF-QGZVFWFLSA-N	1	1	358.486	2.447	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1	ZINC000171908527	327169709	/nfs/dbraw/zinc/16/97/09/327169709.db2.gz	OPJMCCSXGHQHNY-IBGZPJMESA-N	1	1	356.470	2.343	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@H+]1C[C@@H](C)O	ZINC000173270659	327245609	/nfs/dbraw/zinc/24/56/09/327245609.db2.gz	HNVKJQFKJLXBJP-GDBMZVCRSA-N	1	1	361.490	2.424	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)ccc1F	ZINC000173866928	327289741	/nfs/dbraw/zinc/28/97/41/327289741.db2.gz	GEQLEGGXAVKGEA-HNNXBMFYSA-N	1	1	351.447	2.240	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)sc2c1CCC2	ZINC000174747621	327348068	/nfs/dbraw/zinc/34/80/68/327348068.db2.gz	LZLZVGGTFLMYNU-HNNXBMFYSA-N	1	1	373.400	2.436	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(Cc2[nH+]ccn2C)CC1	ZINC000178820091	327609111	/nfs/dbraw/zinc/60/91/11/327609111.db2.gz	QQYMDEFOEXSLEE-UHFFFAOYSA-N	1	1	358.467	2.244	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1	ZINC000266074621	329187774	/nfs/dbraw/zinc/18/77/74/329187774.db2.gz	APISYWOAPZMRBQ-LBPRGKRZSA-N	1	1	373.400	2.340	20	30		FEEDMO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)CCCO)c1C#N	ZINC000281816020	330176677	/nfs/dbraw/zinc/17/66/77/330176677.db2.gz	LIROBYSHVPGAEP-UHFFFAOYSA-N	1	1	372.444	2.417	20	30		FEEDMO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)CCCO)c1C#N	ZINC000281816020	330176678	/nfs/dbraw/zinc/17/66/78/330176678.db2.gz	LIROBYSHVPGAEP-UHFFFAOYSA-N	1	1	372.444	2.417	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1	ZINC000371456141	330243917	/nfs/dbraw/zinc/24/39/17/330243917.db2.gz	FSMFZMWSQUKCNF-MSOLQXFVSA-N	1	1	370.453	2.267	20	30		FEEDMO
C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000416705999	330262502	/nfs/dbraw/zinc/26/25/02/330262502.db2.gz	MHGULFMDNDYAGV-JXFKEZNVSA-N	1	1	369.513	2.261	20	30		FEEDMO
CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000440867067	330278061	/nfs/dbraw/zinc/27/80/61/330278061.db2.gz	XIQKGWMROHFKLQ-GFCCVEGCSA-N	1	1	361.389	2.340	20	30		FEEDMO
Cc1cc(NC(=O)CN(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)on1	ZINC000328655180	525099406	/nfs/dbraw/zinc/09/94/06/525099406.db2.gz	YCMGSSBTGFBCBU-KBXCAEBGSA-N	1	1	360.462	2.319	20	30		FEEDMO
Cc1[nH]c(=O)ccc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000155878435	545579649	/nfs/dbraw/zinc/57/96/49/545579649.db2.gz	NEWWLYZCHKJAHK-UHFFFAOYSA-N	1	1	350.422	2.315	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[N@@H+](C)C1CC1	ZINC000157151725	545707343	/nfs/dbraw/zinc/70/73/43/545707343.db2.gz	YWYNFMIMYVLJBF-SNVBAGLBSA-N	1	1	361.389	2.338	20	30		FEEDMO
CCN(C[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1)CC(F)(F)F	ZINC000477716489	561151833	/nfs/dbraw/zinc/15/18/33/561151833.db2.gz	LEJYGBPWUMHKET-GDBMZVCRSA-N	1	1	368.403	2.291	20	30		FEEDMO
CCN(C[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1)CC(F)(F)F	ZINC000477716489	561151834	/nfs/dbraw/zinc/15/18/34/561151834.db2.gz	LEJYGBPWUMHKET-GDBMZVCRSA-N	1	1	368.403	2.291	20	30		FEEDMO
C=CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000478027858	561158526	/nfs/dbraw/zinc/15/85/26/561158526.db2.gz	MPNKWTAIGFDPAP-AWEZNQCLSA-N	1	1	368.401	2.016	20	30		FEEDMO
C#CCCCCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000159103747	545921946	/nfs/dbraw/zinc/92/19/46/545921946.db2.gz	OLFODLAWTWBGON-IAGOWNOFSA-N	1	1	371.481	2.154	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1	ZINC000159463389	545955985	/nfs/dbraw/zinc/95/59/85/545955985.db2.gz	UYPCCNSSXKUPQE-LPHOPBHVSA-N	1	1	359.470	2.425	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1	ZINC000159463513	545956426	/nfs/dbraw/zinc/95/64/26/545956426.db2.gz	UYPCCNSSXKUPQE-APWZRJJASA-N	1	1	359.470	2.425	20	30		FEEDMO
C[C@H]1C[C@@H](N(C)S(=O)(=O)N(C)CCC#N)CC[N@H+]1Cc1ccccc1	ZINC000160003760	545999563	/nfs/dbraw/zinc/99/95/63/545999563.db2.gz	SAVRIAWBNAVQCG-WMZOPIPTSA-N	1	1	364.515	2.062	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000160212133	546018247	/nfs/dbraw/zinc/01/82/47/546018247.db2.gz	OKYVSTYGTDFVPG-CQSZACIVSA-N	1	1	353.463	2.381	20	30		FEEDMO
CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000161913033	546134853	/nfs/dbraw/zinc/13/48/53/546134853.db2.gz	XKDRBOOFQADAJP-MSOLQXFVSA-N	1	1	360.454	2.353	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000166094900	546154442	/nfs/dbraw/zinc/15/44/42/546154442.db2.gz	WYLPVDHSWDFHHA-FCEWJHQRSA-N	1	1	350.507	2.058	20	30		FEEDMO
COc1ccc(-c2n[nH]c(CNC(=[NH2+])NCc3ccccc3OC)n2)cc1	ZINC000170915090	546182251	/nfs/dbraw/zinc/18/22/51/546182251.db2.gz	RDNUKKMJUXCVGT-UHFFFAOYSA-N	1	1	366.425	2.093	20	30		FEEDMO
C[NH+]1CCN([C@H](C(=O)NCc2ccc(C#N)cc2F)c2ccccc2)CC1	ZINC000170931101	546183462	/nfs/dbraw/zinc/18/34/62/546183462.db2.gz	ZBFUWEYDCCGERQ-FQEVSTJZSA-N	1	1	366.440	2.302	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(F)cc1C#N)Cc1ccccc1	ZINC000175943644	546376789	/nfs/dbraw/zinc/37/67/89/546376789.db2.gz	WJRRKNRNWRPGQZ-UHFFFAOYSA-N	1	1	368.412	2.274	20	30		FEEDMO
CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000177633919	546657436	/nfs/dbraw/zinc/65/74/36/546657436.db2.gz	QMVKFVUACUUWMP-GFCCVEGCSA-N	1	1	361.389	2.340	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000177633919	546657441	/nfs/dbraw/zinc/65/74/41/546657441.db2.gz	QMVKFVUACUUWMP-GFCCVEGCSA-N	1	1	361.389	2.340	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000177658964	546661697	/nfs/dbraw/zinc/66/16/97/546661697.db2.gz	JXDUBKSMLQYWMR-DGCLKSJQSA-N	1	1	373.400	2.434	20	30		FEEDMO
C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1ccccc1	ZINC000179475235	546961193	/nfs/dbraw/zinc/96/11/93/546961193.db2.gz	KQTSMHYKOYVWOB-MSOLQXFVSA-N	1	1	366.396	2.197	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCC[C@H](OCCO)C2)c(-c2ccccc2)n1	ZINC000179571245	546979319	/nfs/dbraw/zinc/97/93/19/546979319.db2.gz	MJCCAYVWIAQREY-IBGZPJMESA-N	1	1	354.454	2.437	20	30		FEEDMO
C[NH+]1CCN([C@@H]2CCCCN(C(=O)/C=C/c3ccccc3C#N)C2)CC1	ZINC000179629849	546988962	/nfs/dbraw/zinc/98/89/62/546988962.db2.gz	CSHJMEYVCFZDAZ-SQUSKLHYSA-N	1	1	352.482	2.200	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1	ZINC000179893142	547026135	/nfs/dbraw/zinc/02/61/35/547026135.db2.gz	SQWPNDGBKAZUGP-IBGZPJMESA-N	1	1	356.466	2.160	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180200660	547066690	/nfs/dbraw/zinc/06/66/90/547066690.db2.gz	HUFARIWXRRQARN-GOSISDBHSA-N	1	1	365.481	2.113	20	30		FEEDMO
COCCOC[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000180215713	547068938	/nfs/dbraw/zinc/06/89/38/547068938.db2.gz	LTGBRVFKBVWDTH-KRWDZBQOSA-N	1	1	354.454	2.444	20	30		FEEDMO
C=CCNC(=O)CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1	ZINC000180339638	547087024	/nfs/dbraw/zinc/08/70/24/547087024.db2.gz	WMSICTGFJYCWEH-INIZCTEOSA-N	1	1	358.486	2.020	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000180405840	547103135	/nfs/dbraw/zinc/10/31/35/547103135.db2.gz	UAGUBZPGFRKHKX-GOEBONIOSA-N	1	1	354.454	2.266	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCN(CC(F)F)CC1	ZINC000180575024	547132585	/nfs/dbraw/zinc/13/25/85/547132585.db2.gz	DOZAXEXXMCMFES-KRWDZBQOSA-N	1	1	354.441	2.428	20	30		FEEDMO
N#CCCN(C(=O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1)c1ccccc1	ZINC000483057880	561266110	/nfs/dbraw/zinc/26/61/10/561266110.db2.gz	YIXRICTWTMSDPO-LJQANCHMSA-N	1	1	357.454	2.203	20	30		FEEDMO
N#Cc1ccc(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000181567455	547337487	/nfs/dbraw/zinc/33/74/87/547337487.db2.gz	HBGYRVOCLHFVSF-FQEVSTJZSA-N	1	1	364.449	2.124	20	30		FEEDMO
CCCc1[nH+]ccn1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000182759330	547547615	/nfs/dbraw/zinc/54/76/15/547547615.db2.gz	WECZOFFPSQXEBH-OAHLLOKOSA-N	1	1	357.483	2.306	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000182829566	547558976	/nfs/dbraw/zinc/55/89/76/547558976.db2.gz	AHYHYIMYJNKGMI-OLZOCXBDSA-N	1	1	357.380	2.299	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000182829566	547558977	/nfs/dbraw/zinc/55/89/77/547558977.db2.gz	AHYHYIMYJNKGMI-OLZOCXBDSA-N	1	1	357.380	2.299	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1)C1CC1	ZINC000183173033	547614878	/nfs/dbraw/zinc/61/48/78/547614878.db2.gz	QFMBCAGCOLKEQE-INIZCTEOSA-N	1	1	369.391	2.347	20	30		FEEDMO
COc1cccc([C@@H]2[C@H](NC(=O)C3(C#N)CCOCC3)CC[N@H+]2C2CC2)c1	ZINC000183266204	547630024	/nfs/dbraw/zinc/63/00/24/547630024.db2.gz	QXJBJRZXPITBAW-RTBURBONSA-N	1	1	369.465	2.410	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)NC1CC[NH+](CCN(C)C)CC1	ZINC000184340959	547810503	/nfs/dbraw/zinc/81/05/03/547810503.db2.gz	BHNSHVJKTGFNKD-HNNXBMFYSA-N	1	1	359.474	2.125	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000186128490	548088950	/nfs/dbraw/zinc/08/89/50/548088950.db2.gz	WGSHBGIWGCVFKW-IBGZPJMESA-N	1	1	358.530	2.453	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC2(O)CCOCC2)cc1	ZINC000189774788	548310935	/nfs/dbraw/zinc/31/09/35/548310935.db2.gz	OTFDJYWRICKMGO-QGZVFWFLSA-N	1	1	359.470	2.104	20	30		FEEDMO
C#CCN(CC#C)C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1	ZINC000190431032	548324435	/nfs/dbraw/zinc/32/44/35/548324435.db2.gz	MOQYVCRVONGURL-UHFFFAOYSA-N	1	1	365.477	2.485	20	30		FEEDMO
C=CCCOCCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000190620539	548329835	/nfs/dbraw/zinc/32/98/35/548329835.db2.gz	JIRAKLRDQDYHKS-IBGZPJMESA-N	1	1	361.486	2.169	20	30		FEEDMO
N#CC1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1	ZINC000190734204	548334384	/nfs/dbraw/zinc/33/43/84/548334384.db2.gz	SFTBTRWZUJHAFK-IBGZPJMESA-N	1	1	356.470	2.223	20	30		FEEDMO
N#Cc1ccccc1N1CCCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1	ZINC000194093407	548433793	/nfs/dbraw/zinc/43/37/93/548433793.db2.gz	IOCQZQOBVKAGLP-QGZVFWFLSA-N	1	1	367.497	2.264	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000245385923	548903201	/nfs/dbraw/zinc/90/32/01/548903201.db2.gz	IKWAVUVSUXXHMP-CEXWTWQISA-N	1	1	363.546	2.397	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000245385923	548903205	/nfs/dbraw/zinc/90/32/05/548903205.db2.gz	IKWAVUVSUXXHMP-CEXWTWQISA-N	1	1	363.546	2.397	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3[C@H](C)C[C@@H]4CCCC[C@H]43)CC2)o1	ZINC000245458941	548925940	/nfs/dbraw/zinc/92/59/40/548925940.db2.gz	VBVDCJIQJQCZRC-UWWQBHOKSA-N	1	1	371.485	2.156	20	30		FEEDMO
N#Cc1cc(F)c(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)c(F)c1	ZINC000245996042	549033441	/nfs/dbraw/zinc/03/34/41/549033441.db2.gz	XQMWXWMGQUPKKF-HOTGVXAUSA-N	1	1	371.387	2.202	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21	ZINC000246061668	549043147	/nfs/dbraw/zinc/04/31/47/549043147.db2.gz	BICWYGZHMJSKNT-ANTGDGSKSA-N	1	1	361.482	2.423	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000246094927	549051717	/nfs/dbraw/zinc/05/17/17/549051717.db2.gz	HNMPWKLKPLYMCA-MJBXVCDLSA-N	1	1	360.433	2.118	20	30		FEEDMO
CC[C@H](c1ccncc1)[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000246176199	549070338	/nfs/dbraw/zinc/07/03/38/549070338.db2.gz	VWKJVJNPTXDAPT-RTBURBONSA-N	1	1	357.502	2.157	20	30		FEEDMO
CC[C@H](c1ccncc1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1	ZINC000246176199	549070342	/nfs/dbraw/zinc/07/03/42/549070342.db2.gz	VWKJVJNPTXDAPT-RTBURBONSA-N	1	1	357.502	2.157	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)[N@H+]1CCC[C@@H](C)C1	ZINC000246284459	549096030	/nfs/dbraw/zinc/09/60/30/549096030.db2.gz	UCHXRLDOWJZISS-CHWSQXEVSA-N	1	1	362.861	2.387	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1	ZINC000246522784	549151838	/nfs/dbraw/zinc/15/18/38/549151838.db2.gz	IWOAARHBKFMFDJ-FBBABVLZSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1	ZINC000246522784	549151840	/nfs/dbraw/zinc/15/18/40/549151840.db2.gz	IWOAARHBKFMFDJ-FBBABVLZSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1	ZINC000246522784	549151842	/nfs/dbraw/zinc/15/18/42/549151842.db2.gz	IWOAARHBKFMFDJ-FBBABVLZSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000246522784	549151843	/nfs/dbraw/zinc/15/18/43/549151843.db2.gz	IWOAARHBKFMFDJ-FBBABVLZSA-N	1	1	355.482	2.247	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(F)cc1	ZINC000489115066	561403761	/nfs/dbraw/zinc/40/37/61/561403761.db2.gz	FQSKOVKXOGINBV-KRWDZBQOSA-N	1	1	365.405	2.418	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)C2)n1	ZINC000489401794	561410137	/nfs/dbraw/zinc/41/01/37/561410137.db2.gz	YCVXBIFRAUWVHX-RBUKOAKNSA-N	1	1	369.513	2.277	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC	ZINC000248794689	549503679	/nfs/dbraw/zinc/50/36/79/549503679.db2.gz	DXQWQCXZSWZNAS-JRBPQWBISA-N	1	1	359.466	2.428	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC	ZINC000248794689	549503681	/nfs/dbraw/zinc/50/36/81/549503681.db2.gz	DXQWQCXZSWZNAS-JRBPQWBISA-N	1	1	359.466	2.428	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC	ZINC000248794686	549503734	/nfs/dbraw/zinc/50/37/34/549503734.db2.gz	DXQWQCXZSWZNAS-HLNWXESRSA-N	1	1	359.466	2.428	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC	ZINC000248794686	549503735	/nfs/dbraw/zinc/50/37/35/549503735.db2.gz	DXQWQCXZSWZNAS-HLNWXESRSA-N	1	1	359.466	2.428	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000249084357	549548225	/nfs/dbraw/zinc/54/82/25/549548225.db2.gz	BGPSUGLJZBXHSL-FXAWDEMLSA-N	1	1	359.470	2.304	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000249084357	549548231	/nfs/dbraw/zinc/54/82/31/549548231.db2.gz	BGPSUGLJZBXHSL-FXAWDEMLSA-N	1	1	359.470	2.304	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C	ZINC000249129751	549556792	/nfs/dbraw/zinc/55/67/92/549556792.db2.gz	URCFUWBEZMMATL-JFIYKMOQSA-N	1	1	357.454	2.453	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C	ZINC000249129751	549556794	/nfs/dbraw/zinc/55/67/94/549556794.db2.gz	URCFUWBEZMMATL-JFIYKMOQSA-N	1	1	357.454	2.453	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)[C@@H](C)C1	ZINC000253544301	549692563	/nfs/dbraw/zinc/69/25/63/549692563.db2.gz	NHHWBZREDYLGBA-UGSOOPFHSA-N	1	1	358.486	2.397	20	30		FEEDMO
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(C#N)nc1	ZINC000263647061	549912458	/nfs/dbraw/zinc/91/24/58/549912458.db2.gz	AKZYLPJSRHEHOW-PKOBYXMFSA-N	1	1	368.462	2.258	20	30		FEEDMO
COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)O[NH+]=C(N)C1CCCC1	ZINC000264986591	550004956	/nfs/dbraw/zinc/00/49/56/550004956.db2.gz	SCHYFQSYEPBACQ-LLVKDONJSA-N	1	1	362.430	2.460	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1	ZINC000265997267	550016173	/nfs/dbraw/zinc/01/61/73/550016173.db2.gz	MCPIXASCDRWUGX-HXUWFJFHSA-N	1	1	372.469	2.097	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000268235065	550037944	/nfs/dbraw/zinc/03/79/44/550037944.db2.gz	ZGCYQTURXJMCPL-CJNGLKHVSA-N	1	1	372.494	2.230	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C[C@@H]1C	ZINC000491470995	561445923	/nfs/dbraw/zinc/44/59/23/561445923.db2.gz	KKBXXBZWCPEJRM-GXTWGEPZSA-N	1	1	362.861	2.481	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000491411706	561445317	/nfs/dbraw/zinc/44/53/17/561445317.db2.gz	ABTSDMHCVHISCN-HNNXBMFYSA-N	1	1	374.872	2.340	20	30		FEEDMO
CCOCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000269709257	550219007	/nfs/dbraw/zinc/21/90/07/550219007.db2.gz	RPFKOPRMBZUYRS-HKUYNNGSSA-N	1	1	359.470	2.449	20	30		FEEDMO
CCOCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000269709257	550219008	/nfs/dbraw/zinc/21/90/08/550219008.db2.gz	RPFKOPRMBZUYRS-HKUYNNGSSA-N	1	1	359.470	2.449	20	30		FEEDMO
Cc1cc(C)n(-c2ccc(C(N)=NOCCCn3cc[nH+]c3C)cn2)n1	ZINC000270751640	550303396	/nfs/dbraw/zinc/30/33/96/550303396.db2.gz	JZZCVXMLCNTXFW-UHFFFAOYSA-N	1	1	353.430	2.116	20	30		FEEDMO
N#CCc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1	ZINC000270862208	550314644	/nfs/dbraw/zinc/31/46/44/550314644.db2.gz	NEAOGIQLCXOUPE-RTWAWAEBSA-N	1	1	363.461	2.365	20	30		FEEDMO
C=CCOc1cccc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c1	ZINC000271096818	550340126	/nfs/dbraw/zinc/34/01/26/550340126.db2.gz	ZPTBHEXFUVFBEL-UHFFFAOYSA-N	1	1	352.438	2.068	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccccc2SCCC#N)CC1	ZINC000271895335	550409163	/nfs/dbraw/zinc/40/91/63/550409163.db2.gz	NTVRCTSRRUGNNM-UHFFFAOYSA-N	1	1	358.467	2.009	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccccc1Oc1ccccc1C#N	ZINC000272483859	550451785	/nfs/dbraw/zinc/45/17/85/550451785.db2.gz	GWIAXBUIEDGUIO-KRWDZBQOSA-N	1	1	364.449	2.326	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21	ZINC000272567944	550458024	/nfs/dbraw/zinc/45/80/24/550458024.db2.gz	VAHVYWVYYAPCCB-IRXDYDNUSA-N	1	1	357.454	2.278	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1	ZINC000272594677	550459974	/nfs/dbraw/zinc/45/99/74/550459974.db2.gz	XRHVOKUKSFLCKA-HZPDHXFCSA-N	1	1	351.491	2.422	20	30		FEEDMO
COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccccc2O[C@H](C)C#N)CC1	ZINC000272644706	550462566	/nfs/dbraw/zinc/46/25/66/550462566.db2.gz	FEUFISSWGPWWKD-HUUCEWRRSA-N	1	1	374.441	2.079	20	30		FEEDMO
Cc1cccc(CN2CCN(C(=O)C[NH+]3CCC(C)(C#N)CC3)CC2)c1	ZINC000272649273	550462899	/nfs/dbraw/zinc/46/28/99/550462899.db2.gz	ZADDZIVZGWDSSB-UHFFFAOYSA-N	1	1	354.498	2.265	20	30		FEEDMO
Cc1cccc(C[NH+]2CCN(C(=O)CN3CCC(C)(C#N)CC3)CC2)c1	ZINC000272649273	550462900	/nfs/dbraw/zinc/46/29/00/550462900.db2.gz	ZADDZIVZGWDSSB-UHFFFAOYSA-N	1	1	354.498	2.265	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1	ZINC000273018036	550480708	/nfs/dbraw/zinc/48/07/08/550480708.db2.gz	SXESXEPPXWPZES-MRXNPFEDSA-N	1	1	356.470	2.367	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000273048199	550482366	/nfs/dbraw/zinc/48/23/66/550482366.db2.gz	BAQBCXPGEJJAPE-QGZVFWFLSA-N	1	1	367.409	2.430	20	30		FEEDMO
N#Cc1ccc([C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)C(N)=O)cc1	ZINC000494498857	561470798	/nfs/dbraw/zinc/47/07/98/561470798.db2.gz	XHQVFIJJLHXPKC-SQNIBIBYSA-N	1	1	357.360	2.483	20	30		FEEDMO
N#Cc1ccccc1CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000274302811	550531749	/nfs/dbraw/zinc/53/17/49/550531749.db2.gz	FXFPRKOVDIYXTF-NRFANRHFSA-N	1	1	360.417	2.255	20	30		FEEDMO
C=CC[N@@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C	ZINC000494640623	561473088	/nfs/dbraw/zinc/47/30/88/561473088.db2.gz	BUPLZXIFEWOBAH-UHFFFAOYSA-N	1	1	368.275	2.272	20	30		FEEDMO
C=CC[N@H+](C)CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C	ZINC000494640623	561473089	/nfs/dbraw/zinc/47/30/89/561473089.db2.gz	BUPLZXIFEWOBAH-UHFFFAOYSA-N	1	1	368.275	2.272	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000277010384	550621631	/nfs/dbraw/zinc/62/16/31/550621631.db2.gz	LIVGTSLTGYIPBS-HOTGVXAUSA-N	1	1	362.499	2.228	20	30		FEEDMO
C=CC[C@H]1[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CCCC1(C)C	ZINC000277702490	550703851	/nfs/dbraw/zinc/70/38/51/550703851.db2.gz	HVZTXWMIRKOSEJ-GOSISDBHSA-N	1	1	373.497	2.234	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000277967958	550734049	/nfs/dbraw/zinc/73/40/49/550734049.db2.gz	PXKAVIFLRXCAOS-MRXNPFEDSA-N	1	1	356.470	2.341	20	30		FEEDMO
COCCO[C@H]1C[C@H](CO)C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000278275819	550768128	/nfs/dbraw/zinc/76/81/28/550768128.db2.gz	JPKCNJMXJPAVKZ-WMZOPIPTSA-N	1	1	371.399	2.403	20	30		FEEDMO
COCCO[C@H]1C[C@H](CO)C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000278275819	550768130	/nfs/dbraw/zinc/76/81/30/550768130.db2.gz	JPKCNJMXJPAVKZ-WMZOPIPTSA-N	1	1	371.399	2.403	20	30		FEEDMO
C=CCOc1ccc(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)cc1OC	ZINC000278415727	550783238	/nfs/dbraw/zinc/78/32/38/550783238.db2.gz	FSPMNDUBPLMMPM-MRXNPFEDSA-N	1	1	362.470	2.491	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000278796063	550822814	/nfs/dbraw/zinc/82/28/14/550822814.db2.gz	YQXBQIZPVGRDNN-INIZCTEOSA-N	1	1	357.454	2.416	20	30		FEEDMO
COC[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](C)O1	ZINC000279362848	550881780	/nfs/dbraw/zinc/88/17/80/550881780.db2.gz	HRWNZAOSBYAXAP-QAPCUYQASA-N	1	1	355.442	2.094	20	30		FEEDMO
COC[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H](C)O1	ZINC000279362848	550881781	/nfs/dbraw/zinc/88/17/81/550881781.db2.gz	HRWNZAOSBYAXAP-QAPCUYQASA-N	1	1	355.442	2.094	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CC)CCCN2C(=O)c3ccccc3C2=O)n1	ZINC000279666211	550914425	/nfs/dbraw/zinc/91/44/25/550914425.db2.gz	DKYCOGPFSBLHGE-UHFFFAOYSA-N	1	1	350.422	2.025	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CC)CCCN2C(=O)c3ccccc3C2=O)n1	ZINC000279666211	550914426	/nfs/dbraw/zinc/91/44/26/550914426.db2.gz	DKYCOGPFSBLHGE-UHFFFAOYSA-N	1	1	350.422	2.025	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000279769116	550926974	/nfs/dbraw/zinc/92/69/74/550926974.db2.gz	SMEAKOPLVJXEKJ-GPMSIDNRSA-N	1	1	368.481	2.245	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F)C1CC1	ZINC000280494431	551000200	/nfs/dbraw/zinc/00/02/00/551000200.db2.gz	MMYRKNFUOUKOSN-XJKSGUPXSA-N	1	1	371.359	2.017	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	ZINC000280661144	551018727	/nfs/dbraw/zinc/01/87/27/551018727.db2.gz	DUZAHJMCUHMCLY-KUHUBIRLSA-N	1	1	374.510	2.477	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccccc2S[C@H](C)CC#N)C1	ZINC000280661144	551018729	/nfs/dbraw/zinc/01/87/29/551018729.db2.gz	DUZAHJMCUHMCLY-KUHUBIRLSA-N	1	1	374.510	2.477	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@](C)(C(N)=O)C2)ccc1Cl	ZINC000280816002	551035358	/nfs/dbraw/zinc/03/53/58/551035358.db2.gz	UJEBVBTVDAQBHJ-GOSISDBHSA-N	1	1	362.861	2.092	20	30		FEEDMO
C[C@@]1(C(N)=O)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000280826284	551036510	/nfs/dbraw/zinc/03/65/10/551036510.db2.gz	VLACOYURBUYNSP-GOSISDBHSA-N	1	1	360.483	2.024	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](OCc2ccncc2)C1	ZINC000280976380	551051042	/nfs/dbraw/zinc/05/10/42/551051042.db2.gz	KWVFVOZOYRXAJC-FUHWJXTLSA-N	1	1	356.470	2.404	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](OCc2ccncc2)C1	ZINC000280976380	551051044	/nfs/dbraw/zinc/05/10/44/551051044.db2.gz	KWVFVOZOYRXAJC-FUHWJXTLSA-N	1	1	356.470	2.404	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO	ZINC000281232035	551076117	/nfs/dbraw/zinc/07/61/17/551076117.db2.gz	HVTBRDJAMACWNR-KRWDZBQOSA-N	1	1	353.422	2.346	20	30		FEEDMO
C#C[C@@H](NC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C	ZINC000281556800	551112877	/nfs/dbraw/zinc/11/28/77/551112877.db2.gz	OPPZGHBWDYBNHT-SOLBZPMBSA-N	1	1	371.481	2.008	20	30		FEEDMO
C#C[C@@H](NC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C	ZINC000281556800	551112878	/nfs/dbraw/zinc/11/28/78/551112878.db2.gz	OPPZGHBWDYBNHT-SOLBZPMBSA-N	1	1	371.481	2.008	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)CC(=O)NCc1cccs1	ZINC000496999134	561496893	/nfs/dbraw/zinc/49/68/93/561496893.db2.gz	FPWQPEDICWLZCO-UHFFFAOYSA-N	1	1	362.480	2.258	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1	ZINC000281729841	551136258	/nfs/dbraw/zinc/13/62/58/551136258.db2.gz	XGJQKYUPHGAJSE-LJQANCHMSA-N	1	1	368.481	2.057	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1	ZINC000281806186	551145226	/nfs/dbraw/zinc/14/52/26/551145226.db2.gz	NCZCZDXDHVYFMP-APWZRJJASA-N	1	1	373.501	2.343	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1	ZINC000281806188	551145236	/nfs/dbraw/zinc/14/52/36/551145236.db2.gz	NCZCZDXDHVYFMP-LPHOPBHVSA-N	1	1	373.501	2.343	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)c(C)n2)[C@@H]1c1ccccc1	ZINC000497348927	561499009	/nfs/dbraw/zinc/49/90/09/561499009.db2.gz	KFWHSPYLXLNRLJ-PMACEKPBSA-N	1	1	364.449	2.454	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)c(C)n2)[C@@H]1c1ccccc1	ZINC000497348927	561499010	/nfs/dbraw/zinc/49/90/10/561499010.db2.gz	KFWHSPYLXLNRLJ-PMACEKPBSA-N	1	1	364.449	2.454	20	30		FEEDMO
C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCCC1(C#N)CCOCC1	ZINC000282075248	551177057	/nfs/dbraw/zinc/17/70/57/551177057.db2.gz	TYXGORMYXHLAIU-HNNXBMFYSA-N	1	1	365.499	2.427	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1	ZINC000284572753	551580137	/nfs/dbraw/zinc/58/01/37/551580137.db2.gz	NGVGYNBYBYYCGK-GOSISDBHSA-N	1	1	373.497	2.373	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1	ZINC000284759026	551625992	/nfs/dbraw/zinc/62/59/92/551625992.db2.gz	LYXINPBLSVSCJA-ROUUACIJSA-N	1	1	365.437	2.326	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]1[C@@H]1CCCO1	ZINC000284759026	551625993	/nfs/dbraw/zinc/62/59/93/551625993.db2.gz	LYXINPBLSVSCJA-ROUUACIJSA-N	1	1	365.437	2.326	20	30		FEEDMO
CCOc1ccc([C@@H](COC)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1	ZINC000284828416	551644599	/nfs/dbraw/zinc/64/45/99/551644599.db2.gz	RNKVYMGERVHXQI-GOSISDBHSA-N	1	1	358.442	2.018	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000285466028	551760583	/nfs/dbraw/zinc/76/05/83/551760583.db2.gz	KDCURGSZXVLVPJ-CQSZACIVSA-N	1	1	358.417	2.301	20	30		FEEDMO
C[C@@](C#N)(NC(=O)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CC1	ZINC000285679849	551794351	/nfs/dbraw/zinc/79/43/51/551794351.db2.gz	USZLFHIACLNYHB-VXKWHMMOSA-N	1	1	366.509	2.393	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1CO	ZINC000499065277	561542381	/nfs/dbraw/zinc/54/23/81/561542381.db2.gz	QLUOMZJRQDSMJM-YOEHRIQHSA-N	1	1	368.399	2.266	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286246625	551865306	/nfs/dbraw/zinc/86/53/06/551865306.db2.gz	MJSQLLWQEJTFRL-QGPMSJSTSA-N	1	1	358.461	2.322	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000286716062	551918051	/nfs/dbraw/zinc/91/80/51/551918051.db2.gz	PHXRNAOXLCCGFX-IEBWSBKVSA-N	1	1	355.482	2.356	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NCCCCC#N	ZINC000286744888	551921324	/nfs/dbraw/zinc/92/13/24/551921324.db2.gz	NXEWDQRAVZLFKI-DZFIZOCASA-N	1	1	370.497	2.069	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@](F)(CO)C1)CCC2	ZINC000287140885	551968508	/nfs/dbraw/zinc/96/85/08/551968508.db2.gz	YFXCLOHXSJCCDD-KRWDZBQOSA-N	1	1	351.447	2.233	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@](F)(CO)C1)CCC2	ZINC000287140885	551968509	/nfs/dbraw/zinc/96/85/09/551968509.db2.gz	YFXCLOHXSJCCDD-KRWDZBQOSA-N	1	1	351.447	2.233	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000287414740	552001333	/nfs/dbraw/zinc/00/13/33/552001333.db2.gz	ORRDGLHGCFEWRR-SFHVURJKSA-N	1	1	363.465	2.403	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000287503145	552012551	/nfs/dbraw/zinc/01/25/51/552012551.db2.gz	UPQDNANVOCIGPH-DDUZABMNSA-N	1	1	356.445	2.123	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000287824083	552051603	/nfs/dbraw/zinc/05/16/03/552051603.db2.gz	BTRPIRZFRMRKJU-IEBWSBKVSA-N	1	1	357.498	2.438	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000288082099	552087715	/nfs/dbraw/zinc/08/77/15/552087715.db2.gz	VWHMACJIMLVUQV-DLBZAZTESA-N	1	1	358.461	2.324	20	30		FEEDMO
Cc1onc(CC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1C#N	ZINC000499880425	561560493	/nfs/dbraw/zinc/56/04/93/561560493.db2.gz	VHDYDDLADKZYMF-ZDUSSCGKSA-N	1	1	354.410	2.429	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc3ccccc32)C1=O	ZINC000499940384	561562420	/nfs/dbraw/zinc/56/24/20/561562420.db2.gz	RPFASAAXHKXRIH-HKUYNNGSSA-N	1	1	354.450	2.298	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000290266524	552451084	/nfs/dbraw/zinc/45/10/84/552451084.db2.gz	OXJZUIDIZKVNKW-AWEZNQCLSA-N	1	1	360.433	2.407	20	30		FEEDMO
Cn1c(-c2ccccn2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000290652657	552513195	/nfs/dbraw/zinc/51/31/95/552513195.db2.gz	FBCWKLOBQRJYIT-UHFFFAOYSA-N	1	1	373.464	2.461	20	30		FEEDMO
CN(CC1CCN(c2cc[nH+]cc2)CC1)[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000501024728	561587898	/nfs/dbraw/zinc/58/78/98/561587898.db2.gz	XDNXOJKZVGDUAQ-FQEVSTJZSA-N	1	1	363.465	2.328	20	30		FEEDMO
C#Cc1ccccc1CC(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000291519077	552633063	/nfs/dbraw/zinc/63/30/63/552633063.db2.gz	UXJVBTOUPPLRHO-UHFFFAOYSA-N	1	1	353.510	2.227	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1	ZINC000292048362	552688224	/nfs/dbraw/zinc/68/82/24/552688224.db2.gz	AQUJZVONZCZWPG-JXFKEZNVSA-N	1	1	356.445	2.078	20	30		FEEDMO
C[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CC[N@H+](C2CCC2)C1	ZINC000292087700	552692350	/nfs/dbraw/zinc/69/23/50/552692350.db2.gz	FDMSZWQZJWQDIW-INIZCTEOSA-N	1	1	361.511	2.138	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)cc1	ZINC000292096899	552693596	/nfs/dbraw/zinc/69/35/96/552693596.db2.gz	VFUHTIRUVNNMTC-VQIMIIECSA-N	1	1	359.470	2.256	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)N(C3CC3)C3CCCC3)C2)nc1	ZINC000292383130	552721777	/nfs/dbraw/zinc/72/17/77/552721777.db2.gz	ZGUIWHYLZLRBHF-SFHVURJKSA-N	1	1	354.454	2.340	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)N(C3CC3)C3CCCC3)C2)nc1	ZINC000292383130	552721778	/nfs/dbraw/zinc/72/17/78/552721778.db2.gz	ZGUIWHYLZLRBHF-SFHVURJKSA-N	1	1	354.454	2.340	20	30		FEEDMO
C=CCOCC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1	ZINC000292737911	552753831	/nfs/dbraw/zinc/75/38/31/552753831.db2.gz	HAYWLKQERVJWEM-QGZVFWFLSA-N	1	1	352.500	2.188	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)[N@H+]1CCCC[C@H]1C	ZINC000501533578	561599942	/nfs/dbraw/zinc/59/99/42/561599942.db2.gz	RQQQPFMAUSHHBO-SJORKVTESA-N	1	1	370.501	2.048	20	30		FEEDMO
CC[N@H+](C[C@H](O)COc1ccc(CCOC)cc1)C[C@@H](C#N)CCC#N	ZINC000293031235	552782503	/nfs/dbraw/zinc/78/25/03/552782503.db2.gz	RPIWHWNTKSPDDC-MOPGFXCFSA-N	1	1	359.470	2.381	20	30		FEEDMO
CC[N@@H+](C[C@H](O)COc1ccc(CCOC)cc1)C[C@@H](C#N)CCC#N	ZINC000293031235	552782504	/nfs/dbraw/zinc/78/25/04/552782504.db2.gz	RPIWHWNTKSPDDC-MOPGFXCFSA-N	1	1	359.470	2.381	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1sc(-c2ccccc2)nc1C	ZINC000293471769	552827170	/nfs/dbraw/zinc/82/71/70/552827170.db2.gz	UXSVAHUTXPRZIP-UHFFFAOYSA-N	1	1	370.478	2.128	20	30		FEEDMO
C=CCC(F)(F)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000293477028	552827823	/nfs/dbraw/zinc/82/78/23/552827823.db2.gz	SDVBCTFKNKJSGN-MRXNPFEDSA-N	1	1	365.424	2.212	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)cc(OC)c1O	ZINC000293740752	552852038	/nfs/dbraw/zinc/85/20/38/552852038.db2.gz	VUBKZMLOQHYRNE-QGZVFWFLSA-N	1	1	358.442	2.050	20	30		FEEDMO
N#Cc1ccsc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1	ZINC000293816439	552859239	/nfs/dbraw/zinc/85/92/39/552859239.db2.gz	WBFWMDYVBIYQEO-HNNXBMFYSA-N	1	1	360.483	2.472	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000501728332	561604111	/nfs/dbraw/zinc/60/41/11/561604111.db2.gz	GHAJAFVZUONMTH-PKOBYXMFSA-N	1	1	355.482	2.214	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000294174925	552887985	/nfs/dbraw/zinc/88/79/85/552887985.db2.gz	JQFUUVHJOMDLTR-UONOGXRCSA-N	1	1	353.463	2.237	20	30		FEEDMO
N#Cc1cnc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c([N+](=O)[O-])c1	ZINC000294883073	552941451	/nfs/dbraw/zinc/94/14/51/552941451.db2.gz	FQZGBERPWLAYAS-KRWDZBQOSA-N	1	1	367.409	2.430	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)C[C@H](C)O1	ZINC000295417336	553003469	/nfs/dbraw/zinc/00/34/69/553003469.db2.gz	DRXHVEIPQQJAGJ-OKILXGFUSA-N	1	1	359.430	2.187	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC[N@H+](C2CC2)C1	ZINC000296224206	553125633	/nfs/dbraw/zinc/12/56/33/553125633.db2.gz	MZQTYBRENVROCT-LBPRGKRZSA-N	1	1	360.845	2.093	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000296871105	553222941	/nfs/dbraw/zinc/22/29/41/553222941.db2.gz	LDOKNVOQZYRRKH-UHFFFAOYSA-N	1	1	372.444	2.205	20	30		FEEDMO
CC(C)C(=O)NC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000298547382	553438933	/nfs/dbraw/zinc/43/89/33/553438933.db2.gz	DQWZDIOPDWWHKM-UHFFFAOYSA-N	1	1	356.470	2.170	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)N1CC[NH+](C)CC1	ZINC000298766651	553470068	/nfs/dbraw/zinc/47/00/68/553470068.db2.gz	ZIHGRGWECWZOOY-LPHOPBHVSA-N	1	1	357.502	2.190	20	30		FEEDMO
CC[N@@H+](CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)C	ZINC000503913444	561649775	/nfs/dbraw/zinc/64/97/75/561649775.db2.gz	VJKKIAXBSZSHFI-SFHVURJKSA-N	1	1	371.485	2.083	20	30		FEEDMO
C#CCCN1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1	ZINC000299635332	553592671	/nfs/dbraw/zinc/59/26/71/553592671.db2.gz	KEOYVQBKDBKMBC-UHFFFAOYSA-N	1	1	364.287	2.419	20	30		FEEDMO
C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)C1(S(C)(=O)=O)CC1	ZINC000504445529	561658371	/nfs/dbraw/zinc/65/83/71/561658371.db2.gz	JTTWDXMWGIHKQP-WDEREUQCSA-N	1	1	369.874	2.094	20	30		FEEDMO
N#Cc1ccnc(NCc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-]	ZINC000301652773	553668829	/nfs/dbraw/zinc/66/88/29/553668829.db2.gz	QTZWZHLMAGPEMH-UHFFFAOYSA-N	1	1	353.382	2.306	20	30		FEEDMO
C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1	ZINC000302875105	553739113	/nfs/dbraw/zinc/73/91/13/553739113.db2.gz	HYZYVBUTRBSNPP-SJLPKXTDSA-N	1	1	354.406	2.070	20	30		FEEDMO
C[C@@H]1[C@@H](NS(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000310790561	553754289	/nfs/dbraw/zinc/75/42/89/553754289.db2.gz	QQIBVINPJMZYRF-BEFAXECRSA-N	1	1	355.463	2.500	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000311941166	553755780	/nfs/dbraw/zinc/75/57/80/553755780.db2.gz	HXESVNMWCPVQAC-PMACEKPBSA-N	1	1	354.498	2.202	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1	ZINC000311941166	553755783	/nfs/dbraw/zinc/75/57/83/553755783.db2.gz	HXESVNMWCPVQAC-PMACEKPBSA-N	1	1	354.498	2.202	20	30		FEEDMO
CCC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1	ZINC000328599560	553794578	/nfs/dbraw/zinc/79/45/78/553794578.db2.gz	CDVCAMHTEQZGHC-RDJZCZTQSA-N	1	1	350.507	2.298	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)CC[N@H+]1C	ZINC000328605500	553795163	/nfs/dbraw/zinc/79/51/63/553795163.db2.gz	JPGYRMRXXGXAFX-BFYDXBDKSA-N	1	1	350.507	2.296	20	30		FEEDMO
Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1	ZINC000328682357	553806864	/nfs/dbraw/zinc/80/68/64/553806864.db2.gz	CYSNBQCVBATFCH-XHSDSOJGSA-N	1	1	352.442	2.166	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCC(=O)NC34CCC4)CC2)c1	ZINC000328711551	553810740	/nfs/dbraw/zinc/81/07/40/553810740.db2.gz	BDVFJKFLKUIUGE-OAHLLOKOSA-N	1	1	357.458	2.468	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC(=O)N(C)[C@H](C)C3)cc2)C1	ZINC000328734070	553814115	/nfs/dbraw/zinc/81/41/15/553814115.db2.gz	YIEYATNAXHOGIZ-IAGOWNOFSA-N	1	1	372.513	2.495	20	30		FEEDMO
O=C(CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCOc2ccccc21	ZINC000328770576	553819627	/nfs/dbraw/zinc/81/96/27/553819627.db2.gz	GSJZEQLOTUBOAF-WMLDXEAASA-N	1	1	372.469	2.455	20	30		FEEDMO
COc1ccccc1C(=O)NCC(=O)N1CCC[N@@H+](CC2CCC2)CC1	ZINC000328875138	553836994	/nfs/dbraw/zinc/83/69/94/553836994.db2.gz	RXIVGAOIKQVKPM-UHFFFAOYSA-N	1	1	359.470	2.334	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1	ZINC000505882790	561683916	/nfs/dbraw/zinc/68/39/16/561683916.db2.gz	JYBKLAWMZCTQOE-GOSISDBHSA-N	1	1	373.497	2.217	20	30		FEEDMO
CC(C)[C@@H](C)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000505885902	561684100	/nfs/dbraw/zinc/68/41/00/561684100.db2.gz	WZBHCVXUCKVBQB-KRWDZBQOSA-N	1	1	370.497	2.001	20	30		FEEDMO
CC(C)[C@@H](C)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000505885902	561684102	/nfs/dbraw/zinc/68/41/02/561684102.db2.gz	WZBHCVXUCKVBQB-KRWDZBQOSA-N	1	1	370.497	2.001	20	30		FEEDMO
Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC[N@@H+]1CCCOCC1	ZINC000329009508	553864121	/nfs/dbraw/zinc/86/41/21/553864121.db2.gz	OCMIENPLIVPORA-CQSZACIVSA-N	1	1	353.488	2.372	20	30		FEEDMO
Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCC[N@H+]1CCCOCC1	ZINC000329009508	553864123	/nfs/dbraw/zinc/86/41/23/553864123.db2.gz	OCMIENPLIVPORA-CQSZACIVSA-N	1	1	353.488	2.372	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H](C)[C@@H](C)C1	ZINC000329130284	553885907	/nfs/dbraw/zinc/88/59/07/553885907.db2.gz	OHPSQCCPPIGQGE-OKZBNKHCSA-N	1	1	359.518	2.484	20	30		FEEDMO
O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H]1CCc2[nH]nnc2C1	ZINC000329166180	553893353	/nfs/dbraw/zinc/89/33/53/553893353.db2.gz	HYGKHNFEWMBKKN-AWEZNQCLSA-N	1	1	355.442	2.155	20	30		FEEDMO
Cc1nsc(N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N	ZINC000329214921	553904479	/nfs/dbraw/zinc/90/44/79/553904479.db2.gz	LWVGVTKRJMSJTH-OKILXGFUSA-N	1	1	364.515	2.418	20	30		FEEDMO
Cc1nsc(N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N	ZINC000329214921	553904480	/nfs/dbraw/zinc/90/44/80/553904480.db2.gz	LWVGVTKRJMSJTH-OKILXGFUSA-N	1	1	364.515	2.418	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCOC[C@@H]1[C@H]1CCCO1	ZINC000329236820	553908313	/nfs/dbraw/zinc/90/83/13/553908313.db2.gz	OODUEXQESSQVQJ-IGKNDFSCSA-N	1	1	353.507	2.147	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H](NC(=O)N1CC[C@@H]([NH+]3CCCCC3)C1)CC2	ZINC000329269404	553914477	/nfs/dbraw/zinc/91/44/77/553914477.db2.gz	FDVJWQKKQNQJRY-HZPDHXFCSA-N	1	1	360.506	2.191	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)[C@@H]1CC12CCS(=O)(=O)CC2)Cc1ccccc1	ZINC000329365383	553933012	/nfs/dbraw/zinc/93/30/12/553933012.db2.gz	JYGNLKVPGFSWBE-IRXDYDNUSA-N	1	1	364.511	2.331	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C[C@H](C)O1	ZINC000329424842	553944520	/nfs/dbraw/zinc/94/45/20/553944520.db2.gz	GDMPWMVCPVBQLG-LISAXSMJSA-N	1	1	363.506	2.216	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)[C@H]2C1	ZINC000329459245	553950801	/nfs/dbraw/zinc/95/08/01/553950801.db2.gz	ROXSFRLKIWOYTL-PBHICJAKSA-N	1	1	368.437	2.199	20	30		FEEDMO
O=C(NCC[NH+]1CCSCC1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1	ZINC000329461086	553951014	/nfs/dbraw/zinc/95/10/14/553951014.db2.gz	SMDGPDVKAUQAOH-GFCCVEGCSA-N	1	1	369.437	2.323	20	30		FEEDMO
CC1CC[NH+](CCNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)CC1	ZINC000329634217	553980161	/nfs/dbraw/zinc/98/01/61/553980161.db2.gz	SYEKNCRQCNHTOP-UHFFFAOYSA-N	1	1	371.547	2.066	20	30		FEEDMO
C[C@H](CNC(=O)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O)C[NH+]1CCOCC1	ZINC000329669173	553985777	/nfs/dbraw/zinc/98/57/77/553985777.db2.gz	SJQCIPKWZWFLSJ-GFEQUFNTSA-N	1	1	367.534	2.130	20	30		FEEDMO
Cc1ncc(CN2CCN(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)CC2)s1	ZINC000329713981	553994157	/nfs/dbraw/zinc/99/41/57/553994157.db2.gz	SHTYIPDVQMENDK-AWEZNQCLSA-N	1	1	363.531	2.134	20	30		FEEDMO
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C	ZINC000329718902	553995028	/nfs/dbraw/zinc/99/50/28/553995028.db2.gz	ZOVHQVASHXRRPK-GDBMZVCRSA-N	1	1	368.522	2.477	20	30		FEEDMO
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C	ZINC000329718902	553995029	/nfs/dbraw/zinc/99/50/29/553995029.db2.gz	ZOVHQVASHXRRPK-GDBMZVCRSA-N	1	1	368.522	2.477	20	30		FEEDMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2csc(-c3ccccn3)n2)C[C@@H]1C	ZINC000329814519	554010631	/nfs/dbraw/zinc/01/06/31/554010631.db2.gz	DTRHMMXSZYKDLW-QWHCGFSZSA-N	1	1	361.471	2.138	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2csc(-c3ccccn3)n2)C[C@@H]1C	ZINC000329814519	554010634	/nfs/dbraw/zinc/01/06/34/554010634.db2.gz	DTRHMMXSZYKDLW-QWHCGFSZSA-N	1	1	361.471	2.138	20	30		FEEDMO
C[C@H](CNC(=O)N[C@@H]1CCc2c[nH]nc2C1)[N@H+]1CCc2ccccc2C1	ZINC000329816250	554011723	/nfs/dbraw/zinc/01/17/23/554011723.db2.gz	DWQVPLRBWGLYCO-RDTXWAMCSA-N	1	1	353.470	2.217	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC(=O)N(C)C3)cc2)C1	ZINC000329931663	554034333	/nfs/dbraw/zinc/03/43/33/554034333.db2.gz	PDWWFKPYYMSPFH-JTDSTZFVSA-N	1	1	372.513	2.399	20	30		FEEDMO
CN1CC[NH+](CCC(C)(C)NC(=O)c2cc3c([nH]c2=O)CCCC3=O)CC1	ZINC000329967428	554040868	/nfs/dbraw/zinc/04/08/68/554040868.db2.gz	SLTKMBNPNROODL-UHFFFAOYSA-N	1	1	374.485	2.027	20	30		FEEDMO
CC(C)C(=O)N1CCCC[C@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1	ZINC000330043984	554054134	/nfs/dbraw/zinc/05/41/34/554054134.db2.gz	FNCVHQXJRPWVDW-INIZCTEOSA-N	1	1	361.490	2.383	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(c2nnc3n2CCCC3)CC1	ZINC000330091440	554062563	/nfs/dbraw/zinc/06/25/63/554062563.db2.gz	PXSFJNHEKQURIM-PBHICJAKSA-N	1	1	372.517	2.191	20	30		FEEDMO
[O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000330202101	554084585	/nfs/dbraw/zinc/08/45/85/554084585.db2.gz	YWOSNDFVZKXTTK-AWEZNQCLSA-N	1	1	361.396	2.212	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NCc2sc(C)nc2C)C[C@@H]1[NH+]1CCOCC1	ZINC000330205966	554085086	/nfs/dbraw/zinc/08/50/86/554085086.db2.gz	CURDCYMWLYJWJQ-CABCVRRESA-N	1	1	352.504	2.217	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCC(F)(F)C3)CC2)cn1	ZINC000330223397	554088216	/nfs/dbraw/zinc/08/82/16/554088216.db2.gz	NACNRIYYZVFGIF-OAHLLOKOSA-N	1	1	355.433	2.420	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCC(F)(F)C3)CC2)cn1	ZINC000330223397	554088220	/nfs/dbraw/zinc/08/82/20/554088220.db2.gz	NACNRIYYZVFGIF-OAHLLOKOSA-N	1	1	355.433	2.420	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1	ZINC000330242031	554091730	/nfs/dbraw/zinc/09/17/30/554091730.db2.gz	FYQHVLWWFDSFFZ-DLBZAZTESA-N	1	1	353.507	2.292	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CCC3)C2)C[C@H]1[NH+]1CCOCC1	ZINC000330256515	554093972	/nfs/dbraw/zinc/09/39/72/554093972.db2.gz	KSGQNSWYDXHZEY-BRWVUGGUSA-N	1	1	351.491	2.045	20	30		FEEDMO
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)C1	ZINC000330257738	554093992	/nfs/dbraw/zinc/09/39/92/554093992.db2.gz	QWCGCHQLNQWTAU-KLHDSHLOSA-N	1	1	359.474	2.006	20	30		FEEDMO
CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)C1	ZINC000330257738	554093993	/nfs/dbraw/zinc/09/39/93/554093993.db2.gz	QWCGCHQLNQWTAU-KLHDSHLOSA-N	1	1	359.474	2.006	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCOC1CCCCC1	ZINC000330270658	554097365	/nfs/dbraw/zinc/09/73/65/554097365.db2.gz	UPATVZRVNPOGQO-INIZCTEOSA-N	1	1	353.507	2.435	20	30		FEEDMO
CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O	ZINC000330402355	554116842	/nfs/dbraw/zinc/11/68/42/554116842.db2.gz	LASBZYBACNBYGW-DRRXZNNHSA-N	1	1	353.507	2.323	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1	ZINC000330434130	554121216	/nfs/dbraw/zinc/12/12/16/554121216.db2.gz	XXAMALTWTJJLIX-UHOFOFEASA-N	1	1	370.906	2.154	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1	ZINC000330434130	554121217	/nfs/dbraw/zinc/12/12/17/554121217.db2.gz	XXAMALTWTJJLIX-UHOFOFEASA-N	1	1	370.906	2.154	20	30		FEEDMO
COC(=O)c1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc(C)c1C	ZINC000330530428	554134202	/nfs/dbraw/zinc/13/42/02/554134202.db2.gz	GGSUPEIHIXLIDQ-ZIAGYGMSSA-N	1	1	363.458	2.022	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1	ZINC000330550280	554136675	/nfs/dbraw/zinc/13/66/75/554136675.db2.gz	WXHFZCMTODBMKM-QWHCGFSZSA-N	1	1	371.407	2.379	20	30		FEEDMO
CC(=O)c1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1Cl	ZINC000330585062	554141743	/nfs/dbraw/zinc/14/17/43/554141743.db2.gz	RVVSGJTZGDQDBX-NWDGAFQWSA-N	1	1	353.850	2.475	20	30		FEEDMO
CN(C)C(=O)N1CC[N@H+](CCC(=O)Nc2sccc2C#N)C(C)(C)C1	ZINC000330710194	554161440	/nfs/dbraw/zinc/16/14/40/554161440.db2.gz	XBDMSYQJDCIERB-UHFFFAOYSA-N	1	1	363.487	2.026	20	30		FEEDMO
CN(C)C(=O)N1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C(C)(C)C1	ZINC000330710194	554161442	/nfs/dbraw/zinc/16/14/42/554161442.db2.gz	XBDMSYQJDCIERB-UHFFFAOYSA-N	1	1	363.487	2.026	20	30		FEEDMO
CNC(=O)c1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1Cl	ZINC000331201294	554230014	/nfs/dbraw/zinc/23/00/14/554230014.db2.gz	WTYRJYQLZDXCFH-RYUDHWBXSA-N	1	1	368.865	2.207	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(NC(=O)Nc2cc(C)c(Cl)c(C)c2)CC1	ZINC000331284377	554241230	/nfs/dbraw/zinc/24/12/30/554241230.db2.gz	WXWKXASMLZBPGM-UHFFFAOYSA-N	1	1	352.866	2.493	20	30		FEEDMO
C[C@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CC[N@H+]1CC(C)(C)O	ZINC000331284341	554241296	/nfs/dbraw/zinc/24/12/96/554241296.db2.gz	FSMGBIRECZAPKW-ZDUSSCGKSA-N	1	1	353.413	2.437	20	30		FEEDMO
C=CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000508811633	561773527	/nfs/dbraw/zinc/77/35/27/561773527.db2.gz	SYCXXVBKZAALSN-KRWDZBQOSA-N	1	1	373.526	2.275	20	30		FEEDMO
COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1NC(C)=O	ZINC000331304866	554244763	/nfs/dbraw/zinc/24/47/63/554244763.db2.gz	YRJNMZQMVXTYCG-CXAGYDPISA-N	1	1	362.474	2.340	20	30		FEEDMO
COCC[N@@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1C	ZINC000331310333	554245420	/nfs/dbraw/zinc/24/54/20/554245420.db2.gz	GKHHYPJQDIJRDW-GFCCVEGCSA-N	1	1	366.259	2.113	20	30		FEEDMO
COCC[N@H+]1CCN(C(=O)c2cccc(C#N)c2Br)C[C@H]1C	ZINC000331310333	554245421	/nfs/dbraw/zinc/24/54/21/554245421.db2.gz	GKHHYPJQDIJRDW-GFCCVEGCSA-N	1	1	366.259	2.113	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2c[nH]c(C#N)c2)[C@@H]1c1cnn(C)c1	ZINC000331469071	554269525	/nfs/dbraw/zinc/26/95/25/554269525.db2.gz	OMYYRFFWJMCDQT-KBXCAEBGSA-N	1	1	354.458	2.165	20	30		FEEDMO
C=CCn1c(-c2cccn2C)nnc1N1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000508955797	561779391	/nfs/dbraw/zinc/77/93/91/561779391.db2.gz	JWSMUFXYHYPUNU-MRXNPFEDSA-N	1	1	370.501	2.159	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@@H](CC(F)(F)F)C3)C2=O)cc1	ZINC000555829800	674377904	/nfs/dbraw/zinc/37/79/04/674377904.db2.gz	GZQKRNAWFWFCSO-GXTWGEPZSA-N	1	1	351.328	2.464	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@@H](CC(F)(F)F)C3)C2=O)cc1	ZINC000555829800	674377905	/nfs/dbraw/zinc/37/79/05/674377905.db2.gz	GZQKRNAWFWFCSO-GXTWGEPZSA-N	1	1	351.328	2.464	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1	ZINC000332463901	554450971	/nfs/dbraw/zinc/45/09/71/554450971.db2.gz	KAXRRFYBMDKGEY-AWEZNQCLSA-N	1	1	358.442	2.284	20	30		FEEDMO
Cc1ccccc1[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000332669016	554493919	/nfs/dbraw/zinc/49/39/19/554493919.db2.gz	MPTHQFGRRFPGDP-CTNGQTDRSA-N	1	1	368.525	2.477	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000333199520	554587788	/nfs/dbraw/zinc/58/77/88/554587788.db2.gz	XGDJOSOAVZDEGH-QFBILLFUSA-N	1	1	366.465	2.362	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@@H]2CCO)sc2c1CCC2	ZINC000333440197	554613428	/nfs/dbraw/zinc/61/34/28/554613428.db2.gz	LQBNDNCQSIZFFG-LBPRGKRZSA-N	1	1	365.524	2.237	20	30		FEEDMO
C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(F)(C#N)CC1	ZINC000510936420	561851660	/nfs/dbraw/zinc/85/16/60/561851660.db2.gz	PFUMOKLNCFJWML-SJLPKXTDSA-N	1	1	358.461	2.093	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1=O	ZINC000348559631	554688654	/nfs/dbraw/zinc/68/86/54/554688654.db2.gz	CCOGFDZHOWYPJT-NEWSRXKRSA-N	1	1	371.481	2.410	20	30		FEEDMO
N#Cc1ccc(-c2nc(-c3ccccc3C[N@@H+]3CCC[C@@H]3C(N)=O)no2)o1	ZINC000350538112	554796335	/nfs/dbraw/zinc/79/63/35/554796335.db2.gz	WFZHPQHCWABZDG-OAHLLOKOSA-N	1	1	363.377	2.318	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000359991560	554857836	/nfs/dbraw/zinc/85/78/36/554857836.db2.gz	DWXWACRMNBWOTK-CAOSSQGBSA-N	1	1	351.491	2.302	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1	ZINC000360145819	554864676	/nfs/dbraw/zinc/86/46/76/554864676.db2.gz	AEUYPTSBYYBDQO-HZPDHXFCSA-N	1	1	351.491	2.400	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1	ZINC000361140442	554905773	/nfs/dbraw/zinc/90/57/73/554905773.db2.gz	BUHJOFVNIUUPPD-GOSISDBHSA-N	1	1	373.884	2.297	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1	ZINC000511624330	561874991	/nfs/dbraw/zinc/87/49/91/561874991.db2.gz	CEBXSLYLQBHBEV-NEPJUHHUSA-N	1	1	361.389	2.441	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000363006408	555008255	/nfs/dbraw/zinc/00/82/55/555008255.db2.gz	HQQHLQNYJDOLHX-HZPDHXFCSA-N	1	1	370.453	2.027	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)CCO1	ZINC000363271159	555068761	/nfs/dbraw/zinc/06/87/61/555068761.db2.gz	JULZYCRWBLQPQX-GOSISDBHSA-N	1	1	370.497	2.118	20	30		FEEDMO
C[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)C[NH+]1CCOCC1	ZINC000363293010	555072570	/nfs/dbraw/zinc/07/25/70/555072570.db2.gz	SEENHRXCWQPRFB-HOJAQTOUSA-N	1	1	370.497	2.436	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1	ZINC000363515025	555124970	/nfs/dbraw/zinc/12/49/70/555124970.db2.gz	AUBMMUYRRYMPQB-IEBWSBKVSA-N	1	1	357.454	2.087	20	30		FEEDMO
C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)C1=CC[N@@H+](C)CC1	ZINC000363717302	555170539	/nfs/dbraw/zinc/17/05/39/555170539.db2.gz	RXEFPNLTGMBAQH-ZDUSSCGKSA-N	1	1	368.416	2.655	20	30		FEEDMO
N#Cc1ccc(OC2CC[NH+](CC(=O)NCc3cccnc3)CC2)cc1	ZINC000363965691	555223590	/nfs/dbraw/zinc/22/35/90/555223590.db2.gz	SQDJWEMKMWFSQN-UHFFFAOYSA-N	1	1	350.422	2.113	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(CNC(C)=O)o1	ZINC000364079083	555246083	/nfs/dbraw/zinc/24/60/83/555246083.db2.gz	JJPPRLULXAFQQI-YOEHRIQHSA-N	1	1	360.458	2.061	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(CNC(C)=O)o1	ZINC000364079083	555246084	/nfs/dbraw/zinc/24/60/84/555246084.db2.gz	JJPPRLULXAFQQI-YOEHRIQHSA-N	1	1	360.458	2.061	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1	ZINC000364226992	555274174	/nfs/dbraw/zinc/27/41/74/555274174.db2.gz	AQHKXJMYBBLLKC-MJGOQNOKSA-N	1	1	351.491	2.091	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1	ZINC000364429232	555312192	/nfs/dbraw/zinc/31/21/92/555312192.db2.gz	XJJCCRSOVHQYAE-OXQOHEQNSA-N	1	1	367.497	2.263	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)nc1	ZINC000364903893	555432076	/nfs/dbraw/zinc/43/20/76/555432076.db2.gz	ZFRDTKVLMQNFLZ-GOSISDBHSA-N	1	1	365.481	2.717	20	30		FEEDMO
CC(C)c1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000365429189	555573079	/nfs/dbraw/zinc/57/30/79/555573079.db2.gz	RFRHRJLRGPDSFT-CQSZACIVSA-N	1	1	359.455	2.299	20	30		FEEDMO
CN1CCC2(CC[NH+](CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)C1=O	ZINC000365481355	555587186	/nfs/dbraw/zinc/58/71/86/555587186.db2.gz	KGXFYOPOPWPBTE-UHFFFAOYSA-N	1	1	360.845	2.094	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)ccc1Cl	ZINC000365543266	555604504	/nfs/dbraw/zinc/60/45/04/555604504.db2.gz	BNMNGHXMYPZUSO-QRTARXTBSA-N	1	1	372.856	2.093	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)cn3C)[C@@H](C)C2)s1	ZINC000365921334	555701668	/nfs/dbraw/zinc/70/16/68/555701668.db2.gz	POWFWMVLVQQJDL-BLLLJJGKSA-N	1	1	357.483	2.302	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cn1	ZINC000366308641	555808401	/nfs/dbraw/zinc/80/84/01/555808401.db2.gz	BKGMEDKEUVMZEZ-IBGZPJMESA-N	1	1	370.416	2.446	20	30		FEEDMO
N#CC(CC[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)(c1ccccc1)c1ccccc1	ZINC000366335696	555814912	/nfs/dbraw/zinc/81/49/12/555814912.db2.gz	VEDLIMCRIONORT-UXHICEINSA-N	1	1	373.456	2.481	20	30		FEEDMO
CC(C)(C#N)c1ccccc1C[NH+]1CCN([C@H]2CCCCNC2=O)CC1	ZINC000366349210	555818485	/nfs/dbraw/zinc/81/84/85/555818485.db2.gz	XHNSROYNPBILGY-IBGZPJMESA-N	1	1	354.498	2.274	20	30		FEEDMO
CC(C)(C#N)c1ccccc1CN1CC[NH+]([C@H]2CCCCNC2=O)CC1	ZINC000366349210	555818487	/nfs/dbraw/zinc/81/84/87/555818487.db2.gz	XHNSROYNPBILGY-IBGZPJMESA-N	1	1	354.498	2.274	20	30		FEEDMO
CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000366438661	555843570	/nfs/dbraw/zinc/84/35/70/555843570.db2.gz	LXBBIRTVTNYWDX-INIZCTEOSA-N	1	1	363.483	2.176	20	30		FEEDMO
C[C@@]1(CNC(=O)N=c2ccn(CCC#N)[nH]2)CC[N@@H+](Cc2ccccc2)C1	ZINC000366878949	555958454	/nfs/dbraw/zinc/95/84/54/555958454.db2.gz	GCGVMPOGTFIRID-FQEVSTJZSA-N	1	1	366.469	2.830	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)CCC(C)(C)C#N)[C@H]1c1ccc(F)cc1	ZINC000367668503	556109726	/nfs/dbraw/zinc/10/97/26/556109726.db2.gz	IAXPLBSJZSDEOZ-JKSUJKDBSA-N	1	1	353.463	2.430	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)CCC(C)(C)C#N)[C@H]1c1ccc(F)cc1	ZINC000367668503	556109729	/nfs/dbraw/zinc/10/97/29/556109729.db2.gz	IAXPLBSJZSDEOZ-JKSUJKDBSA-N	1	1	353.463	2.430	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)CCC(C)(C)C#N)[C@@H]1c1ccc(F)cc1	ZINC000367668494	556110013	/nfs/dbraw/zinc/11/00/13/556110013.db2.gz	IAXPLBSJZSDEOZ-CVEARBPZSA-N	1	1	353.463	2.430	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)CCC(C)(C)C#N)[C@@H]1c1ccc(F)cc1	ZINC000367668494	556110015	/nfs/dbraw/zinc/11/00/15/556110015.db2.gz	IAXPLBSJZSDEOZ-CVEARBPZSA-N	1	1	353.463	2.430	20	30		FEEDMO
CC(C)(C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc(F)cc(C#N)c1	ZINC000367691745	556115892	/nfs/dbraw/zinc/11/58/92/556115892.db2.gz	VSRQJJLTYBLDAG-QZTJIDSGSA-N	1	1	359.445	2.344	20	30		FEEDMO
CC(C)(C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc(F)cc(C#N)c1	ZINC000367691745	556115894	/nfs/dbraw/zinc/11/58/94/556115894.db2.gz	VSRQJJLTYBLDAG-QZTJIDSGSA-N	1	1	359.445	2.344	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000368348977	556284097	/nfs/dbraw/zinc/28/40/97/556284097.db2.gz	PABCNFYJVVDJKY-JKSUJKDBSA-N	1	1	364.490	2.080	20	30		FEEDMO
C[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)Nc1ccccc1C#N	ZINC000368417263	556301946	/nfs/dbraw/zinc/30/19/46/556301946.db2.gz	QMESTDBXNWCCAR-UKBAYJJMSA-N	1	1	370.497	2.364	20	30		FEEDMO
C[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C)C(=O)Nc1ccccc1C#N	ZINC000368417263	556301950	/nfs/dbraw/zinc/30/19/50/556301950.db2.gz	QMESTDBXNWCCAR-UKBAYJJMSA-N	1	1	370.497	2.364	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1	ZINC000368417476	556303150	/nfs/dbraw/zinc/30/31/50/556303150.db2.gz	SHMGIPAJOXIXEV-LSTHTHJFSA-N	1	1	370.497	2.366	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](CC(N)=O)C2)sc2c1CCCC2	ZINC000368575096	556349842	/nfs/dbraw/zinc/34/98/42/556349842.db2.gz	IFPQMJNDABDCPN-LBPRGKRZSA-N	1	1	360.483	2.024	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC1(C#N)CC1	ZINC000515612175	562016924	/nfs/dbraw/zinc/01/69/24/562016924.db2.gz	OYSAGHVSILLDQV-QZTJIDSGSA-N	1	1	356.470	2.126	20	30		FEEDMO
C[C@@]1(CNS(=O)(=O)c2ccc(C#N)o2)CCC[N@H+]1Cc1ccccc1	ZINC000515624368	562017347	/nfs/dbraw/zinc/01/73/47/562017347.db2.gz	DBSLWKMDBRLOTO-SFHVURJKSA-N	1	1	359.451	2.484	20	30		FEEDMO
C=CCN1CC[C@@H]([NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)C1=O	ZINC000369198143	556532762	/nfs/dbraw/zinc/53/27/62/556532762.db2.gz	MSQHVDUIRFPPRA-MRXNPFEDSA-N	1	1	353.426	2.098	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)n1	ZINC000369238863	556545815	/nfs/dbraw/zinc/54/58/15/556545815.db2.gz	SPMLBZZCADYQRQ-RTBURBONSA-N	1	1	369.469	2.061	20	30		FEEDMO
Cn1cc([C@H]2[C@H](CNC(=O)Nc3cccc(C#N)c3)CCC[N@H+]2C)cn1	ZINC000369425939	556597844	/nfs/dbraw/zinc/59/78/44/556597844.db2.gz	YBYOAFAHYGJOQX-MAUKXSAKSA-N	1	1	352.442	2.496	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@H]2COC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000369504134	556613457	/nfs/dbraw/zinc/61/34/57/556613457.db2.gz	RGDOBEFPPMJBKM-DOTOQJQBSA-N	1	1	366.383	2.284	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@H]2COC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000369504134	556613459	/nfs/dbraw/zinc/61/34/59/556613459.db2.gz	RGDOBEFPPMJBKM-DOTOQJQBSA-N	1	1	366.383	2.284	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000369808856	556701310	/nfs/dbraw/zinc/70/13/10/556701310.db2.gz	NWDGJOZHCJFTSF-SJLPKXTDSA-N	1	1	356.470	2.072	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000369808856	556701312	/nfs/dbraw/zinc/70/13/12/556701312.db2.gz	NWDGJOZHCJFTSF-SJLPKXTDSA-N	1	1	356.470	2.072	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1=O	ZINC000369855754	556713738	/nfs/dbraw/zinc/71/37/38/556713738.db2.gz	JDNDOYBWEKIBBG-OALUTQOASA-N	1	1	370.497	2.079	20	30		FEEDMO
Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)n1	ZINC000369900653	556725367	/nfs/dbraw/zinc/72/53/67/556725367.db2.gz	PNOIOLYIZZPGKE-IBGZPJMESA-N	1	1	363.465	2.454	20	30		FEEDMO
Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)n1	ZINC000369900653	556725368	/nfs/dbraw/zinc/72/53/68/556725368.db2.gz	PNOIOLYIZZPGKE-IBGZPJMESA-N	1	1	363.465	2.454	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)C2)n1	ZINC000369938362	556735846	/nfs/dbraw/zinc/73/58/46/556735846.db2.gz	UOERWBSKPGCXHK-NVXWUHKLSA-N	1	1	355.486	2.077	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cc1	ZINC000370293576	556831833	/nfs/dbraw/zinc/83/18/33/556831833.db2.gz	HCSMTYJOUZXCRC-OXJNMPFZSA-N	1	1	371.481	2.485	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cc1	ZINC000370293576	556831834	/nfs/dbraw/zinc/83/18/34/556831834.db2.gz	HCSMTYJOUZXCRC-OXJNMPFZSA-N	1	1	371.481	2.485	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000370550341	556906333	/nfs/dbraw/zinc/90/63/33/556906333.db2.gz	VLCOOAVRCBURSK-KFKAGJAMSA-N	1	1	357.454	2.085	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C(=O)c2ccc(OC)cc2)CC1	ZINC000370695090	556942653	/nfs/dbraw/zinc/94/26/53/556942653.db2.gz	WYCFMGVMWNQUQI-LJQANCHMSA-N	1	1	354.450	2.214	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@H]2C2CC2)CC1	ZINC000371470296	557190746	/nfs/dbraw/zinc/19/07/46/557190746.db2.gz	KNYAASKVMBPPIE-DLBZAZTESA-N	1	1	358.511	2.331	20	30		FEEDMO
C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)[C@H]2C1	ZINC000371493157	557199068	/nfs/dbraw/zinc/19/90/68/557199068.db2.gz	MYGKLSGCXACASJ-JSGCOSHPSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)[C@H]2C1	ZINC000371493157	557199071	/nfs/dbraw/zinc/19/90/71/557199071.db2.gz	MYGKLSGCXACASJ-JSGCOSHPSA-N	1	1	373.400	2.292	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2	ZINC000517957482	562101562	/nfs/dbraw/zinc/10/15/62/562101562.db2.gz	QQXFCJUIUYZSFP-OKZBNKHCSA-N	1	1	370.497	2.499	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000372004027	557353833	/nfs/dbraw/zinc/35/38/33/557353833.db2.gz	MEMVJQJVSIJJBT-OALUTQOASA-N	1	1	372.469	2.032	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C#N	ZINC000372085970	557376415	/nfs/dbraw/zinc/37/64/15/557376415.db2.gz	QNCYEPVUIGKBGT-IAGOWNOFSA-N	1	1	370.453	2.027	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N	ZINC000372085972	557376563	/nfs/dbraw/zinc/37/65/63/557376563.db2.gz	QNCYEPVUIGKBGT-SJORKVTESA-N	1	1	370.453	2.027	20	30		FEEDMO
N#CCCCOc1cccc(CN2CC[NH+]([C@H]3CCCCNC3=O)CC2)c1	ZINC000372397556	557460149	/nfs/dbraw/zinc/46/01/49/557460149.db2.gz	FHHAEAYWLWUUST-FQEVSTJZSA-N	1	1	370.497	2.155	20	30		FEEDMO
CCN1CCO[C@H](C[NH+]2CCN(CC#Cc3ccc(Cl)cc3)CC2)C1	ZINC000372700130	557541518	/nfs/dbraw/zinc/54/15/18/557541518.db2.gz	IAAACGRKVSFMFU-FQEVSTJZSA-N	1	1	361.917	2.030	20	30		FEEDMO
CC[N@@H+]1CCO[C@H](CN2CCN(CC#Cc3ccc(Cl)cc3)CC2)C1	ZINC000372700130	557541522	/nfs/dbraw/zinc/54/15/22/557541522.db2.gz	IAAACGRKVSFMFU-FQEVSTJZSA-N	1	1	361.917	2.030	20	30		FEEDMO
CC[N@H+]1CCO[C@H](CN2CCN(CC#Cc3ccc(Cl)cc3)CC2)C1	ZINC000372700130	557541526	/nfs/dbraw/zinc/54/15/26/557541526.db2.gz	IAAACGRKVSFMFU-FQEVSTJZSA-N	1	1	361.917	2.030	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000372761828	557557026	/nfs/dbraw/zinc/55/70/26/557557026.db2.gz	OTEDYZZPOLBNFN-VQIMIIECSA-N	1	1	351.454	2.413	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](CN2CCN(CC#Cc3cccc(Cl)c3)CC2)C1	ZINC000372769715	557559266	/nfs/dbraw/zinc/55/92/66/557559266.db2.gz	ZOBBDNVOWVHZNI-HXUWFJFHSA-N	1	1	361.917	2.030	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](CN2CCN(CC#Cc3cccc(Cl)c3)CC2)C1	ZINC000372769715	557559269	/nfs/dbraw/zinc/55/92/69/557559269.db2.gz	ZOBBDNVOWVHZNI-HXUWFJFHSA-N	1	1	361.917	2.030	20	30		FEEDMO
CCN1CCO[C@@H](C[NH+]2CCN(CC#Cc3cccc(Cl)c3)CC2)C1	ZINC000372769715	557559270	/nfs/dbraw/zinc/55/92/70/557559270.db2.gz	ZOBBDNVOWVHZNI-HXUWFJFHSA-N	1	1	361.917	2.030	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@]2(C1)CCCN(C)C2=O	ZINC000372900041	557584566	/nfs/dbraw/zinc/58/45/66/557584566.db2.gz	AWBUUSGSFHTRRK-VVMSIFSJSA-N	1	1	374.529	2.250	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@]2(C1)CCCN(C)C2=O	ZINC000372900044	557584760	/nfs/dbraw/zinc/58/47/60/557584760.db2.gz	AWBUUSGSFHTRRK-ZZWQXLNQSA-N	1	1	374.529	2.250	20	30		FEEDMO
N#Cc1ccc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cn1	ZINC000372990492	557605166	/nfs/dbraw/zinc/60/51/66/557605166.db2.gz	OJIHRPVFJJHDTD-SFHVURJKSA-N	1	1	352.463	2.301	20	30		FEEDMO
N#Cc1ccc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cn1	ZINC000372990492	557605168	/nfs/dbraw/zinc/60/51/68/557605168.db2.gz	OJIHRPVFJJHDTD-SFHVURJKSA-N	1	1	352.463	2.301	20	30		FEEDMO
C=CCNC(=O)CNC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1	ZINC000373185739	557646566	/nfs/dbraw/zinc/64/65/66/557646566.db2.gz	LBHYPORCVPXYRZ-RTBURBONSA-N	1	1	370.497	2.127	20	30		FEEDMO
C=CC[N@@H+](C[C@@H](O)COC(C)(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000520195994	562150316	/nfs/dbraw/zinc/15/03/16/562150316.db2.gz	UBEDMFBUWOPHKA-MAUKXSAKSA-N	1	1	359.474	2.387	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccccc3F)C2)CC1	ZINC000520201115	562150445	/nfs/dbraw/zinc/15/04/45/562150445.db2.gz	YGXMZSPCNUHFKD-XLIONFOSSA-N	1	1	372.488	2.307	20	30		FEEDMO
Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1C	ZINC000373403772	557687515	/nfs/dbraw/zinc/68/75/15/557687515.db2.gz	IZSHVWUXHQTILZ-INIZCTEOSA-N	1	1	366.469	2.281	20	30		FEEDMO
Cc1sc(NC(=O)C[NH+]2CCC(n3cnc(C#N)n3)CC2)c(C)c1C	ZINC000373408290	557688363	/nfs/dbraw/zinc/68/83/63/557688363.db2.gz	XKCBLVFQOCFIMA-UHFFFAOYSA-N	1	1	358.471	2.412	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1	ZINC000373652808	557732088	/nfs/dbraw/zinc/73/20/88/557732088.db2.gz	KBVPOEINFPSUNW-KRWDZBQOSA-N	1	1	367.453	2.037	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1	ZINC000373652808	557732091	/nfs/dbraw/zinc/73/20/91/557732091.db2.gz	KBVPOEINFPSUNW-KRWDZBQOSA-N	1	1	367.453	2.037	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC#N)CCC#N)C1CCN(c2ccccc2)CC1	ZINC000373920479	557787439	/nfs/dbraw/zinc/78/74/39/557787439.db2.gz	JUPJQGVIBDREHF-UHFFFAOYSA-N	1	1	353.470	2.243	20	30		FEEDMO
COc1ccc([C@H](O)[C@@H]2CCC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1	ZINC000374398189	557878791	/nfs/dbraw/zinc/87/87/91/557878791.db2.gz	HQWCTYOXJAUIEX-IHPCNDPISA-N	1	1	359.470	2.247	20	30		FEEDMO
COc1ccc([C@H](O)[C@@H]2CCC[N@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)cc1	ZINC000374398189	557878794	/nfs/dbraw/zinc/87/87/94/557878794.db2.gz	HQWCTYOXJAUIEX-IHPCNDPISA-N	1	1	359.470	2.247	20	30		FEEDMO
CC[N@H+]1CCc2c(cccc2NC(=O)C(=O)NCC2CCC(C#N)CC2)C1	ZINC000374420219	557881416	/nfs/dbraw/zinc/88/14/16/557881416.db2.gz	BANDYZWMKHHPRT-UHFFFAOYSA-N	1	1	368.481	2.449	20	30		FEEDMO
CC(C)c1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1	ZINC000374548108	557898085	/nfs/dbraw/zinc/89/80/85/557898085.db2.gz	FXIBBCJVYOVVDA-LSDHHAIUSA-N	1	1	353.492	2.122	20	30		FEEDMO
C[NH+]1CCC(CNC(=O)N2CCC(C)(C#N)CC2)(N2CCCCC2)CC1	ZINC000374761970	557927100	/nfs/dbraw/zinc/92/71/00/557927100.db2.gz	BWLFRPHXKFSQGA-UHFFFAOYSA-N	1	1	361.534	2.272	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1	ZINC000375019461	557965205	/nfs/dbraw/zinc/96/52/05/557965205.db2.gz	LDAKWYAREXARSC-SCTDSRPQSA-N	1	1	370.497	2.356	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1C	ZINC000375335514	558011186	/nfs/dbraw/zinc/01/11/86/558011186.db2.gz	WTQXMKGJXKHWJL-GOSISDBHSA-N	1	1	352.442	2.089	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](n3cncn3)C2)cc1C	ZINC000375335514	558011187	/nfs/dbraw/zinc/01/11/87/558011187.db2.gz	WTQXMKGJXKHWJL-GOSISDBHSA-N	1	1	352.442	2.089	20	30		FEEDMO
C[N@@H+](CCC(=O)N1CCN(c2ncccc2C#N)CC1)C1CCCCC1	ZINC000521384622	562175361	/nfs/dbraw/zinc/17/53/61/562175361.db2.gz	YEIXYGWHXSMUSO-UHFFFAOYSA-N	1	1	355.486	2.256	20	30		FEEDMO
N#CC1(NC(=O)CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCC1	ZINC000375739668	558075336	/nfs/dbraw/zinc/07/53/36/558075336.db2.gz	BKXZWLPLGQMICC-FQEVSTJZSA-N	1	1	352.482	2.147	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1	ZINC000375761239	558078742	/nfs/dbraw/zinc/07/87/42/558078742.db2.gz	VKOUOHODQMOEHB-ZWKOTPCHSA-N	1	1	373.453	2.436	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1	ZINC000375761239	558078743	/nfs/dbraw/zinc/07/87/43/558078743.db2.gz	VKOUOHODQMOEHB-ZWKOTPCHSA-N	1	1	373.453	2.436	20	30		FEEDMO
C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1csnn1	ZINC000521579150	562179227	/nfs/dbraw/zinc/17/92/27/562179227.db2.gz	URFIZGDCXMYLMW-AWEZNQCLSA-N	1	1	370.482	2.388	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+]([C@H]3CCCN(c4cccc(F)c4)C3=O)CC2)n1	ZINC000375926754	558100753	/nfs/dbraw/zinc/10/07/53/558100753.db2.gz	IVDKFTCXMQDVNB-KRWDZBQOSA-N	1	1	368.416	2.121	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](CC(=O)N(CCC#N)CCC#N)C2	ZINC000376404545	558168810	/nfs/dbraw/zinc/16/88/10/558168810.db2.gz	ALEBQIBYXLWPKZ-OXJNMPFZSA-N	1	1	374.485	2.086	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)N2CCC(C)(C#N)CC2)[C@H](c2ccccc2)C1	ZINC000376502451	558182061	/nfs/dbraw/zinc/18/20/61/558182061.db2.gz	WGCSNNYNJHBMJV-IBGZPJMESA-N	1	1	369.513	2.310	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1	ZINC000376622251	558198862	/nfs/dbraw/zinc/19/88/62/558198862.db2.gz	NUJPZOYGJYDRFF-HNNXBMFYSA-N	1	1	362.424	2.263	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000521902509	562186203	/nfs/dbraw/zinc/18/62/03/562186203.db2.gz	ALVGNUJHKNFXDC-MRXNPFEDSA-N	1	1	370.432	2.171	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1	ZINC000377670977	558392471	/nfs/dbraw/zinc/39/24/71/558392471.db2.gz	JESCDWZDBFXYLN-KFWWJZLASA-N	1	1	372.494	2.087	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1	ZINC000377670977	558392473	/nfs/dbraw/zinc/39/24/73/558392473.db2.gz	JESCDWZDBFXYLN-KFWWJZLASA-N	1	1	372.494	2.087	20	30		FEEDMO
C[C@](C#N)(NC(=O)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1	ZINC000377732536	558407564	/nfs/dbraw/zinc/40/75/64/558407564.db2.gz	MMTQNEBRACUNLH-WOIUINJBSA-N	1	1	366.509	2.249	20	30		FEEDMO
Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000377821383	558426393	/nfs/dbraw/zinc/42/63/93/558426393.db2.gz	NRLCYFRICZXRGN-HXUWFJFHSA-N	1	1	374.444	2.491	20	30		FEEDMO
Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000377821383	558426394	/nfs/dbraw/zinc/42/63/94/558426394.db2.gz	NRLCYFRICZXRGN-HXUWFJFHSA-N	1	1	374.444	2.491	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC2(CC1)OCc1ccccc12	ZINC000378133393	558488429	/nfs/dbraw/zinc/48/84/29/558488429.db2.gz	KITUYVVXDNAOPX-UHFFFAOYSA-N	1	1	352.438	2.164	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)NCc1[nH+]c(C)n2c1CCCC2	ZINC000378291576	558521647	/nfs/dbraw/zinc/52/16/47/558521647.db2.gz	RVGMQIGXNUAYBG-UHFFFAOYSA-N	1	1	354.410	2.103	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000523581075	562215474	/nfs/dbraw/zinc/21/54/74/562215474.db2.gz	ICYHDZVCWXTJCZ-HXUWFJFHSA-N	1	1	369.513	2.260	20	30		FEEDMO
CCc1nc(C#N)cc(N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)n1	ZINC000404181505	558631477	/nfs/dbraw/zinc/63/14/77/558631477.db2.gz	JKULFTSNIDOYRU-MOPGFXCFSA-N	1	1	363.465	2.390	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1	ZINC000407955577	558633152	/nfs/dbraw/zinc/63/31/52/558633152.db2.gz	RTXGDWANAVWORL-NCOADZHNSA-N	1	1	356.536	2.050	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)c1	ZINC000408315883	558666307	/nfs/dbraw/zinc/66/63/07/558666307.db2.gz	MAGFILTVGVLHDR-UHFFFAOYSA-N	1	1	362.499	2.316	20	30		FEEDMO
CCC[C@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC[N@H+]1Cc1ccccc1	ZINC000409901391	558726231	/nfs/dbraw/zinc/72/62/31/558726231.db2.gz	NHHIZIUQVWUYCU-AEFFLSMTSA-N	1	1	366.469	2.224	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000410152709	558742531	/nfs/dbraw/zinc/74/25/31/558742531.db2.gz	YZNGOXWXDCRJOA-GOSISDBHSA-N	1	1	364.515	2.063	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000410815885	558813525	/nfs/dbraw/zinc/81/35/25/558813525.db2.gz	UOSVBHUUQVOQSM-RBUKOAKNSA-N	1	1	355.482	2.001	20	30		FEEDMO
CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2	ZINC000525274894	562244807	/nfs/dbraw/zinc/24/48/07/562244807.db2.gz	QLSHFZTTYGZYRI-IRXDYDNUSA-N	1	1	368.437	2.360	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)CC(=O)Nc1cccc(N2CCCC2=O)c1	ZINC000411639798	558934144	/nfs/dbraw/zinc/93/41/44/558934144.db2.gz	JHENTJFDKHDWOM-UHFFFAOYSA-N	1	1	358.486	2.192	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1	ZINC000411663606	558938548	/nfs/dbraw/zinc/93/85/48/558938548.db2.gz	DBQPLUUEGLAYQF-OAHLLOKOSA-N	1	1	372.469	2.132	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](CC(N)=O)c1ccccc1	ZINC000411669033	558939869	/nfs/dbraw/zinc/93/98/69/558939869.db2.gz	QAONFYVKZINANU-GOSISDBHSA-N	1	1	350.422	2.435	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1	ZINC000412672401	559049923	/nfs/dbraw/zinc/04/99/23/559049923.db2.gz	LJOMAYFGUCTNDE-IEBWSBKVSA-N	1	1	352.438	2.153	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000413836890	559133958	/nfs/dbraw/zinc/13/39/58/559133958.db2.gz	PYPRYAGMRMZXSS-ICSRJNTNSA-N	1	1	358.530	2.499	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C	ZINC000413840427	559134159	/nfs/dbraw/zinc/13/41/59/559134159.db2.gz	VFJNEBNKMJWGOY-MJGOQNOKSA-N	1	1	373.497	2.453	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C	ZINC000413840427	559134160	/nfs/dbraw/zinc/13/41/60/559134160.db2.gz	VFJNEBNKMJWGOY-MJGOQNOKSA-N	1	1	373.497	2.453	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NCc2ccc(S(N)(=O)=O)c(Cl)c2)CC1	ZINC000414334817	559156914	/nfs/dbraw/zinc/15/69/14/559156914.db2.gz	NRSWNATYQPOXSL-UHFFFAOYSA-N	1	1	357.907	2.118	20	30		FEEDMO
C=CCOc1ccc(CN2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1OC	ZINC000415119256	559206183	/nfs/dbraw/zinc/20/61/83/559206183.db2.gz	FEQKVCFOYRFXQS-QGZVFWFLSA-N	1	1	357.458	2.147	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1cc(Br)ccc1C#N)[N@@H+](C)C1CC1	ZINC000416389250	559309344	/nfs/dbraw/zinc/30/93/44/559309344.db2.gz	PBHROOHPJOCKLO-SNVBAGLBSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000419327460	559437409	/nfs/dbraw/zinc/43/74/09/559437409.db2.gz	CZZJJRGNCIKBAD-HUUCEWRRSA-N	1	1	356.388	2.324	20	30		FEEDMO
C[C@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC[N@H+]1CC(C)(C)O	ZINC000419619006	559450240	/nfs/dbraw/zinc/45/02/40/559450240.db2.gz	PEXXUMKCKDHEER-KXBFYZLASA-N	1	1	370.497	2.422	20	30		FEEDMO
C=CCC[C@@H]1NC(=O)N(CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1=O	ZINC000419994643	559468211	/nfs/dbraw/zinc/46/82/11/559468211.db2.gz	HMNRJIZWQBNWMO-INIZCTEOSA-N	1	1	360.458	2.390	20	30		FEEDMO
C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000420930000	559512116	/nfs/dbraw/zinc/51/21/16/559512116.db2.gz	RLWCOBUAQQZUEL-CVEARBPZSA-N	1	1	362.474	2.085	20	30		FEEDMO
C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000420930000	559512117	/nfs/dbraw/zinc/51/21/17/559512117.db2.gz	RLWCOBUAQQZUEL-CVEARBPZSA-N	1	1	362.474	2.085	20	30		FEEDMO
CC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1	ZINC000420976615	559516047	/nfs/dbraw/zinc/51/60/47/559516047.db2.gz	BDBYRFTZYXZQIU-JSGCOSHPSA-N	1	1	374.510	2.284	20	30		FEEDMO
N#Cc1ccc(C[NH2+]CCCCN2CCN(c3ncccn3)CC2)cc1F	ZINC000421324357	559539113	/nfs/dbraw/zinc/53/91/13/559539113.db2.gz	JOPDQZRBJKNSFU-UHFFFAOYSA-N	1	1	368.460	2.179	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000422083602	559564162	/nfs/dbraw/zinc/56/41/62/559564162.db2.gz	IXDHFDFFMYLMOF-GUDVDZBRSA-N	1	1	355.482	2.033	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1	ZINC000422487199	559591308	/nfs/dbraw/zinc/59/13/08/559591308.db2.gz	HXGPLODEAUKWEL-OALUTQOASA-N	1	1	357.498	2.138	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1C	ZINC000422524310	559592841	/nfs/dbraw/zinc/59/28/41/559592841.db2.gz	FNWVVECRQWOJBU-IBGZPJMESA-N	1	1	368.481	2.344	20	30		FEEDMO
CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000425385884	559699297	/nfs/dbraw/zinc/69/92/97/559699297.db2.gz	NWRFPCWRXWZDDT-JKSUJKDBSA-N	1	1	356.470	2.020	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)nn1	ZINC000425395960	559700116	/nfs/dbraw/zinc/70/01/16/559700116.db2.gz	OPJFKUFUXIDKHI-LJQANCHMSA-N	1	1	368.485	2.100	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000425484508	559704828	/nfs/dbraw/zinc/70/48/28/559704828.db2.gz	JBZVUMRKCPMYBS-FUHWJXTLSA-N	1	1	368.485	2.174	20	30		FEEDMO
C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1)C(=O)N1CCCCC1	ZINC000425529173	559707933	/nfs/dbraw/zinc/70/79/33/559707933.db2.gz	AUGWEBUWIFDMOW-CVEARBPZSA-N	1	1	356.470	2.068	20	30		FEEDMO
C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)C(=O)N1CCCCC1	ZINC000425529173	559707934	/nfs/dbraw/zinc/70/79/34/559707934.db2.gz	AUGWEBUWIFDMOW-CVEARBPZSA-N	1	1	356.470	2.068	20	30		FEEDMO
C[C@H](C#N)N(CC(=O)N1CC[NH+](C)CC1)Cc1cccc(C(F)(F)F)c1	ZINC000425536152	559708412	/nfs/dbraw/zinc/70/84/12/559708412.db2.gz	OLDWDKQJOOAZFX-CQSZACIVSA-N	1	1	368.403	2.193	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)nn1	ZINC000425644139	559712667	/nfs/dbraw/zinc/71/26/67/559712667.db2.gz	LAUXSGOIHFFQAS-INIZCTEOSA-N	1	1	362.865	2.220	20	30		FEEDMO
C=CCCCS(=O)(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000427756164	559761561	/nfs/dbraw/zinc/76/15/61/559761561.db2.gz	HEPHATTWMRZMFA-INIZCTEOSA-N	1	1	365.499	2.092	20	30		FEEDMO
Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000428781557	559783169	/nfs/dbraw/zinc/78/31/69/559783169.db2.gz	GZUKCNBMLYFUSG-RBUKOAKNSA-N	1	1	367.449	2.463	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1	ZINC000433515253	559883423	/nfs/dbraw/zinc/88/34/23/559883423.db2.gz	KJZCLNGPDNEAQO-MRXNPFEDSA-N	1	1	366.396	2.027	20	30		FEEDMO
C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cc(C#N)ccc1Br	ZINC000434705263	559906990	/nfs/dbraw/zinc/90/69/90/559906990.db2.gz	IACVECLKVYSYOB-ZDUSSCGKSA-N	1	1	352.276	2.473	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[NH+]1CCOCC1	ZINC000435041628	559914794	/nfs/dbraw/zinc/91/47/94/559914794.db2.gz	QOPBBYBPWXSMOM-IBGZPJMESA-N	1	1	355.482	2.453	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1	ZINC000435042331	559914863	/nfs/dbraw/zinc/91/48/63/559914863.db2.gz	LWUGADMGDDJAJS-KRWDZBQOSA-N	1	1	350.484	2.251	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1	ZINC000435042331	559914864	/nfs/dbraw/zinc/91/48/64/559914864.db2.gz	LWUGADMGDDJAJS-KRWDZBQOSA-N	1	1	350.484	2.251	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C	ZINC000439429420	559993744	/nfs/dbraw/zinc/99/37/44/559993744.db2.gz	FJXOMXYOWJBYOO-QGZVFWFLSA-N	1	1	356.470	2.432	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)c1cccs1	ZINC000440041928	560003595	/nfs/dbraw/zinc/00/35/95/560003595.db2.gz	HKVQIJAMKMTCCT-HNNXBMFYSA-N	1	1	367.471	2.481	20	30		FEEDMO
N#Cc1ccc(CCC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000440518573	560013336	/nfs/dbraw/zinc/01/33/36/560013336.db2.gz	JTKUVMDJXYXPDU-JOCHJYFZSA-N	1	1	363.461	2.244	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C	ZINC000443239197	560075880	/nfs/dbraw/zinc/07/58/80/560075880.db2.gz	HKLYADHHOZZTHT-GXFFZTMASA-N	1	1	361.389	2.338	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNc2ccc(C(F)(F)F)c(C#N)n2)CC1	ZINC000443515080	560086006	/nfs/dbraw/zinc/08/60/06/560086006.db2.gz	BBIYJBDOWPTVLG-CYBMUJFWSA-N	1	1	355.408	2.658	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1	ZINC000447820800	560170081	/nfs/dbraw/zinc/17/00/81/560170081.db2.gz	HZLVANMKAHRTAE-MJGOQNOKSA-N	1	1	361.482	2.425	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000448676869	560193567	/nfs/dbraw/zinc/19/35/67/560193567.db2.gz	JZGDTPPKTJEZBN-HXUWFJFHSA-N	1	1	365.481	2.303	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000448676869	560193568	/nfs/dbraw/zinc/19/35/68/560193568.db2.gz	JZGDTPPKTJEZBN-HXUWFJFHSA-N	1	1	365.481	2.303	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000448676869	560193569	/nfs/dbraw/zinc/19/35/69/560193569.db2.gz	JZGDTPPKTJEZBN-HXUWFJFHSA-N	1	1	365.481	2.303	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)COc1ccc(C#N)c(Br)c1	ZINC000449172747	560218930	/nfs/dbraw/zinc/21/89/30/560218930.db2.gz	DDGGNIWFFSWJDT-ZDUSSCGKSA-N	1	1	366.259	2.300	20	30		FEEDMO
C=CC[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000450392708	560261110	/nfs/dbraw/zinc/26/11/10/560261110.db2.gz	NPXLCJWHWKLBFV-HOTGVXAUSA-N	1	1	354.458	2.128	20	30		FEEDMO
C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000450480654	560263621	/nfs/dbraw/zinc/26/36/21/560263621.db2.gz	BWQLYKFMWIDODR-FCEWJHQRSA-N	1	1	351.454	2.023	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)[N@H+]1CCCC[C@@H]1C	ZINC000451046867	560284540	/nfs/dbraw/zinc/28/45/40/560284540.db2.gz	AFJSHYWHXVGVJZ-KBPBESRZSA-N	1	1	353.463	2.380	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](CO)[C@H]2CC)cc1	ZINC000451257696	560296384	/nfs/dbraw/zinc/29/63/84/560296384.db2.gz	VUEPAEVTPPFIRF-VQIMIIECSA-N	1	1	359.470	2.425	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1	ZINC000451301507	560299051	/nfs/dbraw/zinc/29/90/51/560299051.db2.gz	NOMHEESBUBHNOB-NMLBUPMWSA-N	1	1	361.482	2.017	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1	ZINC000451648969	560319204	/nfs/dbraw/zinc/31/92/04/560319204.db2.gz	APDXWUSKKLAFCD-BBWFWOEESA-N	1	1	365.543	2.038	20	30		FEEDMO
C[C@@H]1CN(CC(=O)N[C@](C)(C#N)C2CC2)CC[N@@H+](Cc2ccccc2)C1	ZINC000451706070	560323397	/nfs/dbraw/zinc/32/33/97/560323397.db2.gz	JRKFHOLUSKXZNO-LAUBAEHRSA-N	1	1	354.498	2.249	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+](CCC(N)=O)[C@@H]1CCOc2ccccc21	ZINC000451723560	560324593	/nfs/dbraw/zinc/32/45/93/560324593.db2.gz	JPYSWQJOIOAEOW-QGZVFWFLSA-N	1	1	359.470	2.112	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+](CCC(N)=O)[C@@H]1CCOc2ccccc21	ZINC000451723560	560324594	/nfs/dbraw/zinc/32/45/94/560324594.db2.gz	JPYSWQJOIOAEOW-QGZVFWFLSA-N	1	1	359.470	2.112	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1c1ccccc1	ZINC000452008183	560344956	/nfs/dbraw/zinc/34/49/56/560344956.db2.gz	SHDRLSVMQDAYLL-RTBURBONSA-N	1	1	363.417	2.385	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@@H]1c1ccccc1	ZINC000452008183	560344957	/nfs/dbraw/zinc/34/49/57/560344957.db2.gz	SHDRLSVMQDAYLL-RTBURBONSA-N	1	1	363.417	2.385	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)c1C#N	ZINC000452779227	560373785	/nfs/dbraw/zinc/37/37/85/560373785.db2.gz	FROCCNZROXJQRK-CQSZACIVSA-N	1	1	374.510	2.129	20	30		FEEDMO
C=CCn1c([C@@H]2CC[C@H](C)O2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1	ZINC000453413470	560386175	/nfs/dbraw/zinc/38/61/75/560386175.db2.gz	KMXAQPUJKFTCES-ULQDDVLXSA-N	1	1	363.506	2.251	20	30		FEEDMO
C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@H+](CCOCC)[C@@H](C)C1	ZINC000453440919	560386628	/nfs/dbraw/zinc/38/66/28/560386628.db2.gz	NPFXRTACKFJYGX-IRXDYDNUSA-N	1	1	363.506	2.253	20	30		FEEDMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453709969	560398508	/nfs/dbraw/zinc/39/85/08/560398508.db2.gz	MTCGAFIUDKWLOH-AWEZNQCLSA-N	1	1	362.861	2.145	20	30		FEEDMO
C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)C2)C1	ZINC000453772721	560403366	/nfs/dbraw/zinc/40/33/66/560403366.db2.gz	QFRMWXSTTUFDAG-LJQANCHMSA-N	1	1	374.872	2.289	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000455775514	560494464	/nfs/dbraw/zinc/49/44/64/560494464.db2.gz	DRBXZHDAUPJPFJ-CYBMUJFWSA-N	1	1	364.881	2.002	20	30		FEEDMO
Cc1cc(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)ncc1C#N	ZINC000457446497	560567250	/nfs/dbraw/zinc/56/72/50/560567250.db2.gz	OXWMFHXWRFPCCY-KRWDZBQOSA-N	1	1	363.465	2.202	20	30		FEEDMO
Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)ncc1C#N	ZINC000457586852	560576519	/nfs/dbraw/zinc/57/65/19/560576519.db2.gz	CFWDGFLJUPZCCD-KRWDZBQOSA-N	1	1	363.465	2.202	20	30		FEEDMO
C[C@@H](CNC(=O)NCC(C)(C)CC#N)[NH+]1CCN(c2ccccc2)CC1	ZINC000457719013	560583726	/nfs/dbraw/zinc/58/37/26/560583726.db2.gz	BABWCOHQRVAJMQ-KRWDZBQOSA-N	1	1	357.502	2.436	20	30		FEEDMO
C=CCN(C(=O)Cn1cc[nH+]c1C)[C@H](Cc1ccccc1)C(=O)OCC	ZINC000457766012	560586441	/nfs/dbraw/zinc/58/64/41/560586441.db2.gz	XVECMPXUIPWOIQ-GOSISDBHSA-N	1	1	355.438	2.381	20	30		FEEDMO
Cc1cc(C(=O)N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)ncc1C#N	ZINC000457770686	560586596	/nfs/dbraw/zinc/58/65/96/560586596.db2.gz	UDMILQITTMHXJB-UHFFFAOYSA-N	1	1	372.469	2.140	20	30		FEEDMO
Cc1cc(C(=O)N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)ncc1C#N	ZINC000457770686	560586598	/nfs/dbraw/zinc/58/65/98/560586598.db2.gz	UDMILQITTMHXJB-UHFFFAOYSA-N	1	1	372.469	2.140	20	30		FEEDMO
C=CCC(C)(C)CNC(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000458805787	560649356	/nfs/dbraw/zinc/64/93/56/560649356.db2.gz	AXXANJUVQSXQSK-SFHVURJKSA-N	1	1	366.550	2.025	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1	ZINC000459006942	560661576	/nfs/dbraw/zinc/66/15/76/560661576.db2.gz	JFCGQOYWKONRRN-LEAZDLGRSA-N	1	1	370.497	2.251	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000459007508	560661600	/nfs/dbraw/zinc/66/16/00/560661600.db2.gz	JVVBYSUBYHMIBC-QRFRQXIXSA-N	1	1	356.470	2.005	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1	ZINC000459038706	560663100	/nfs/dbraw/zinc/66/31/00/560663100.db2.gz	WKTHGXJDNXGDMP-HAGHYFMRSA-N	1	1	355.482	2.493	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000459907103	560718630	/nfs/dbraw/zinc/71/86/30/560718630.db2.gz	KOKQHYWEMGCPFE-OAQYLSRUSA-N	1	1	355.482	2.146	20	30		FEEDMO
CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000460133687	560736112	/nfs/dbraw/zinc/73/61/12/560736112.db2.gz	YUTYTYJBWRFOLK-RBUKOAKNSA-N	1	1	356.470	2.343	20	30		FEEDMO
CCC(CC)[C@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)[NH+]1CCOCC1	ZINC000461731517	560780741	/nfs/dbraw/zinc/78/07/41/560780741.db2.gz	VSWOEKRZCFIMFM-HXUWFJFHSA-N	1	1	371.481	2.285	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@H]1CCC[C@@H]1C#N)CC2	ZINC000461945448	560789121	/nfs/dbraw/zinc/78/91/21/560789121.db2.gz	CNYFOADWKRCWLW-WBVHZDCISA-N	1	1	372.469	2.053	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@H]1CCC[C@@H]1C#N)CC2	ZINC000461945448	560789122	/nfs/dbraw/zinc/78/91/22/560789122.db2.gz	CNYFOADWKRCWLW-WBVHZDCISA-N	1	1	372.469	2.053	20	30		FEEDMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCC[C@@H]1C#N	ZINC000461962825	560789979	/nfs/dbraw/zinc/78/99/79/560789979.db2.gz	XRMFWSTUAKBTOY-IEBWSBKVSA-N	1	1	355.486	2.142	20	30		FEEDMO
C=CCC[N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1	ZINC000467300198	560908129	/nfs/dbraw/zinc/90/81/29/560908129.db2.gz	PBCXZEJXLJUBIW-UHFFFAOYSA-N	1	1	353.488	2.164	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)cc2C1=O	ZINC000468472324	560930754	/nfs/dbraw/zinc/93/07/54/560930754.db2.gz	JSNMFKAJHRHVEN-QGZVFWFLSA-N	1	1	369.465	2.319	20	30		FEEDMO
COCC[N@H+](C)CCCC1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000469768750	560964055	/nfs/dbraw/zinc/96/40/55/560964055.db2.gz	LSPJKVMRXGNOPZ-KRWDZBQOSA-N	1	1	364.534	2.008	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000469768750	560964056	/nfs/dbraw/zinc/96/40/56/560964056.db2.gz	LSPJKVMRXGNOPZ-KRWDZBQOSA-N	1	1	364.534	2.008	20	30		FEEDMO
CCOCCOCC[N@@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000469851517	560966616	/nfs/dbraw/zinc/96/66/16/560966616.db2.gz	IWDZOBTWCRHZJO-TVRKMHQQSA-N	1	1	353.507	2.291	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C	ZINC000470815284	560990481	/nfs/dbraw/zinc/99/04/81/560990481.db2.gz	IITMYIHVZFZKPM-HKUYNNGSSA-N	1	1	371.460	2.345	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)c1	ZINC000471052896	560997089	/nfs/dbraw/zinc/99/70/89/560997089.db2.gz	KYBVEBKAUKVITO-LJQANCHMSA-N	1	1	359.433	2.293	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CCC[N@H+](C(C)C)CC3)C2)n1	ZINC000471875884	561013499	/nfs/dbraw/zinc/01/34/99/561013499.db2.gz	KAWAKYCCIMHORL-LJQANCHMSA-N	1	1	369.513	2.421	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@H]1CC(=O)OC	ZINC000476572428	561123005	/nfs/dbraw/zinc/12/30/05/561123005.db2.gz	QFCCBZZFPCLOQQ-IAGOWNOFSA-N	1	1	365.495	2.135	20	30		FEEDMO
COc1cccc([C@H]2[C@H](NC(=O)c3cnn(C)c3C#N)CC[N@H+]2C2CC2)c1	ZINC000476603771	561124115	/nfs/dbraw/zinc/12/41/15/561124115.db2.gz	WIZBGUFFHFPNLR-MJGOQNOKSA-N	1	1	365.437	2.008	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)[C@H](CC)CN1C(C)=O	ZINC000528395358	562326669	/nfs/dbraw/zinc/32/66/69/562326669.db2.gz	NMEILTWQXSWPBU-GUDVDZBRSA-N	1	1	359.470	2.019	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1	ZINC000528420965	562328396	/nfs/dbraw/zinc/32/83/96/562328396.db2.gz	MWGNADUIHSNMOM-IRXDYDNUSA-N	1	1	352.434	2.035	20	30		FEEDMO
CC(C)(C)[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1O	ZINC000528441359	562329596	/nfs/dbraw/zinc/32/95/96/562329596.db2.gz	UOLLHLDDFLOCRB-QZTJIDSGSA-N	1	1	354.450	2.015	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H]1C1CCOCC1	ZINC000528442588	562329612	/nfs/dbraw/zinc/32/96/12/562329612.db2.gz	ZLASDCOGUNXICV-LJQANCHMSA-N	1	1	352.434	2.177	20	30		FEEDMO
Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccccc1C#N	ZINC000528493340	562332121	/nfs/dbraw/zinc/33/21/21/562332121.db2.gz	PPUWDEHPDLSKNT-QYZOEREBSA-N	1	1	364.449	2.352	20	30		FEEDMO
CO[C@H]1C[C@@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2	ZINC000528515460	562333344	/nfs/dbraw/zinc/33/33/44/562333344.db2.gz	AAUDULZDNMXRNK-MSOLQXFVSA-N	1	1	352.434	2.175	20	30		FEEDMO
C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000528528364	562334207	/nfs/dbraw/zinc/33/42/07/562334207.db2.gz	BZFQPSPAQFVICC-BEFAXECRSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000528528364	562334208	/nfs/dbraw/zinc/33/42/08/562334208.db2.gz	BZFQPSPAQFVICC-BEFAXECRSA-N	1	1	370.478	2.142	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@](O)(c2ccccc2)C1	ZINC000528658520	562340632	/nfs/dbraw/zinc/34/06/32/562340632.db2.gz	PQYKBMBJYVWPSK-PZJWPPBQSA-N	1	1	352.434	2.282	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)CC2)o1	ZINC000530026774	562395032	/nfs/dbraw/zinc/39/50/32/562395032.db2.gz	IXAKARTYBNXHMG-KRWDZBQOSA-N	1	1	371.485	2.204	20	30		FEEDMO
N#Cc1cccc(CC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c1	ZINC000530911009	562428472	/nfs/dbraw/zinc/42/84/72/562428472.db2.gz	IHRGCVVTLMBVRN-LJQANCHMSA-N	1	1	362.433	2.189	20	30		FEEDMO
N#Cc1cccc(CC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c1	ZINC000530911009	562428473	/nfs/dbraw/zinc/42/84/73/562428473.db2.gz	IHRGCVVTLMBVRN-LJQANCHMSA-N	1	1	362.433	2.189	20	30		FEEDMO
N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1	ZINC000532769069	562488123	/nfs/dbraw/zinc/48/81/23/562488123.db2.gz	QPIDNQMCZXNWIO-IEBWSBKVSA-N	1	1	362.433	2.435	20	30		FEEDMO
N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1	ZINC000532769069	562488124	/nfs/dbraw/zinc/48/81/24/562488124.db2.gz	QPIDNQMCZXNWIO-IEBWSBKVSA-N	1	1	362.433	2.435	20	30		FEEDMO
COC(=O)CCC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1	ZINC000533345158	562505953	/nfs/dbraw/zinc/50/59/53/562505953.db2.gz	NNPRJAPFNMCPNT-HNNXBMFYSA-N	1	1	361.467	2.390	20	30		FEEDMO
CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000534359259	562532783	/nfs/dbraw/zinc/53/27/83/562532783.db2.gz	HCBQSBPDICDUDK-OALUTQOASA-N	1	1	357.502	2.296	20	30		FEEDMO
CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cccc(C(=O)OC)c1C#N)CC2	ZINC000535205282	562553172	/nfs/dbraw/zinc/55/31/72/562553172.db2.gz	GZHLOJZQTSNYGS-ROUUACIJSA-N	1	1	358.438	2.097	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1	ZINC000535822498	562569003	/nfs/dbraw/zinc/56/90/03/562569003.db2.gz	HSOWJWHKGQNEST-MRXNPFEDSA-N	1	1	364.453	2.400	20	30		FEEDMO
N#CCCCCNC(=O)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1	ZINC000602244550	567959045	/nfs/dbraw/zinc/95/90/45/567959045.db2.gz	HJKZHEXBTISGIH-IBGZPJMESA-N	1	1	370.497	2.357	20	30		FEEDMO
C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1	ZINC000602857188	568002759	/nfs/dbraw/zinc/00/27/59/568002759.db2.gz	PUYDYLYPSQMLDG-YESZJQIVSA-N	1	1	367.497	2.133	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)C[C@H](C)N1CC#N	ZINC000602858791	568003091	/nfs/dbraw/zinc/00/30/91/568003091.db2.gz	VHVBZZZFDYVOKJ-HDICACEKSA-N	1	1	367.501	2.429	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)C1CC1	ZINC000602925240	568018303	/nfs/dbraw/zinc/01/83/03/568018303.db2.gz	HZDRZBDRHUCHBC-GDBMZVCRSA-N	1	1	355.360	2.137	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)C1CC1	ZINC000602926728	568018748	/nfs/dbraw/zinc/01/87/48/568018748.db2.gz	WHDIEVUKMDJEIE-NVXWUHKLSA-N	1	1	353.825	2.301	20	30		FEEDMO
COC(=O)[C@@H]([NH2+]CCCNC(=O)c1ccc(C2(C#N)CC2)cc1)C(C)C	ZINC000603059047	568056625	/nfs/dbraw/zinc/05/66/25/568056625.db2.gz	BFJLREJVANKTCO-KRWDZBQOSA-N	1	1	357.454	2.149	20	30		FEEDMO
Cc1ccc(N2CCC(C(=O)N3C[C@@H](C)N(CC#N)[C@@H](C)C3)CC2)[nH+]c1	ZINC000603101987	568061940	/nfs/dbraw/zinc/06/19/40/568061940.db2.gz	RGCKVACJXNWBTG-CALCHBBNSA-N	1	1	355.486	2.051	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000603147432	568064424	/nfs/dbraw/zinc/06/44/24/568064424.db2.gz	XIIKMXOYHOFPLE-XIRDDKMYSA-N	1	1	371.403	2.165	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000603147430	568064435	/nfs/dbraw/zinc/06/44/35/568064435.db2.gz	XIIKMXOYHOFPLE-PVAVHDDUSA-N	1	1	371.403	2.165	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N2c3ccccc3C[C@H]2C)CC1	ZINC000604483258	568300734	/nfs/dbraw/zinc/30/07/34/568300734.db2.gz	JXGJVFVAEILHTF-HZPDHXFCSA-N	1	1	370.497	2.302	20	30		FEEDMO
CC(C)(C#N)CC[N@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735571794	599122769	/nfs/dbraw/zinc/12/27/69/599122769.db2.gz	JWWCSEBMCFIDKR-UHFFFAOYSA-N	1	1	353.474	2.314	20	30		FEEDMO
CC(C)(C#N)CCN1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735571794	599122771	/nfs/dbraw/zinc/12/27/71/599122771.db2.gz	JWWCSEBMCFIDKR-UHFFFAOYSA-N	1	1	353.474	2.314	20	30		FEEDMO
CC(C)(C#N)CCN1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735571794	599122772	/nfs/dbraw/zinc/12/27/72/599122772.db2.gz	JWWCSEBMCFIDKR-UHFFFAOYSA-N	1	1	353.474	2.314	20	30		FEEDMO
C=CCCCCCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000807572549	674420445	/nfs/dbraw/zinc/42/04/45/674420445.db2.gz	LEHBSHSHBKCWRD-QGZVFWFLSA-N	1	1	350.507	2.071	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=S)N(C)CCOCc1ccc(C#N)cc1	ZINC000809164556	674485915	/nfs/dbraw/zinc/48/59/15/674485915.db2.gz	XSOPSNLRYXIIHR-SFHVURJKSA-N	1	1	360.527	2.365	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCNC(=S)Nc1ccc(C#N)c(Cl)c1	ZINC000809161025	674485966	/nfs/dbraw/zinc/48/59/66/674485966.db2.gz	PCMUSHBEXALAPD-UHFFFAOYSA-N	1	1	353.923	2.382	20	30		FEEDMO
CN(CCCNC(=S)Nc1ccc(C#N)c(Cl)c1)CC[NH+](C)C	ZINC000809161025	674485967	/nfs/dbraw/zinc/48/59/67/674485967.db2.gz	PCMUSHBEXALAPD-UHFFFAOYSA-N	1	1	353.923	2.382	20	30		FEEDMO
N#Cc1cc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)ccn1	ZINC000826383815	607495701	/nfs/dbraw/zinc/49/57/01/607495701.db2.gz	RLMMWTRGHXULKO-UHFFFAOYSA-N	1	1	361.409	2.177	20	30		FEEDMO
C#CC[N@@H+](CC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCCC2	ZINC000819701360	606073756	/nfs/dbraw/zinc/07/37/56/606073756.db2.gz	DTYRIQKDGAJJCP-UHFFFAOYSA-N	1	1	372.498	2.481	20	30		FEEDMO
C#CC[N@@H+](CC)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2	ZINC000819701466	606073988	/nfs/dbraw/zinc/07/39/88/606073988.db2.gz	IMUQYHCELYLOFL-UHFFFAOYSA-N	1	1	358.471	2.091	20	30		FEEDMO
N#Cc1csc(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)n1	ZINC000810145617	674534829	/nfs/dbraw/zinc/53/48/29/674534829.db2.gz	FMEHPOFVQNFKKI-LBPRGKRZSA-N	1	1	351.815	2.263	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1	ZINC000822225145	607227053	/nfs/dbraw/zinc/22/70/53/607227053.db2.gz	QDAVVTCWHCIVLC-UHFFFAOYSA-N	1	1	374.452	2.154	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1	ZINC000811446030	674604276	/nfs/dbraw/zinc/60/42/76/674604276.db2.gz	RXAKWCQYIHJHHO-DOPJRALCSA-N	1	1	355.454	2.185	20	30		FEEDMO
Cc1cc(C=NNC[C@H]2CCSC2)c(C)n1CC[NH+]1CCOCC1	ZINC000811661478	674619248	/nfs/dbraw/zinc/61/92/48/674619248.db2.gz	LSWRGOSSHWQOCL-QGZVFWFLSA-N	1	1	350.532	2.114	20	30		FEEDMO
CCOC(=O)C1CCC([N@@H+](CC)CC(=O)N(CC)C[C@H](C)C#N)CC1	ZINC000560978383	674628328	/nfs/dbraw/zinc/62/83/28/674628328.db2.gz	FVJCDTSNRPWVHQ-KLAILNCOSA-N	1	1	351.491	2.438	20	30		FEEDMO
C#C[C@@H](NC(=O)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1F	ZINC000811989961	674645216	/nfs/dbraw/zinc/64/52/16/674645216.db2.gz	PZLSVEXNWHBKHJ-MRXNPFEDSA-N	1	1	353.825	2.175	20	30		FEEDMO
Cc1ccc([C@H](CNS(=O)(=O)CC2(C#N)CCC2)[NH+]2CCCC2)o1	ZINC000561993201	674713406	/nfs/dbraw/zinc/71/34/06/674713406.db2.gz	OOOBEWLKGJUYCS-HNNXBMFYSA-N	1	1	351.472	2.338	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1	ZINC000562543550	674767726	/nfs/dbraw/zinc/76/77/26/674767726.db2.gz	ZKDYLJLLZFZZDL-UNEWFSDZSA-N	1	1	363.845	2.012	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1	ZINC000562543550	674767731	/nfs/dbraw/zinc/76/77/31/674767731.db2.gz	ZKDYLJLLZFZZDL-UNEWFSDZSA-N	1	1	363.845	2.012	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1	ZINC000815082997	674914043	/nfs/dbraw/zinc/91/40/43/674914043.db2.gz	KGMYIGQCQZDFHT-UHFFFAOYSA-N	1	1	352.353	2.078	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2	ZINC000815083405	674914564	/nfs/dbraw/zinc/91/45/64/674914564.db2.gz	WTCQZKUTMBVFKJ-UHFFFAOYSA-N	1	1	354.475	2.491	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCC[N@H+](CCOC(=O)CC2(C#N)CC2)CC1	ZINC000816035856	674999972	/nfs/dbraw/zinc/99/99/72/674999972.db2.gz	XBJMMASQYNBQAE-UHFFFAOYSA-N	1	1	351.447	2.166	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC(=O)CC2(C#N)CC2)CC1	ZINC000816035856	674999974	/nfs/dbraw/zinc/99/99/74/674999974.db2.gz	XBJMMASQYNBQAE-UHFFFAOYSA-N	1	1	351.447	2.166	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2C)CCN1c1snc(C)c1C#N	ZINC001048702247	675013413	/nfs/dbraw/zinc/01/34/13/675013413.db2.gz	PMQPJVDPNKXHGO-LSDHHAIUSA-N	1	1	358.471	2.002	20	30		FEEDMO
C=CCC(F)(F)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1	ZINC000816524307	675062401	/nfs/dbraw/zinc/06/24/01/675062401.db2.gz	ZQVAJNNWESOATG-UHFFFAOYSA-N	1	1	351.357	2.497	20	30		FEEDMO
CCOc1ccc(O)c(/C=N/C[C@@]2([NH+]3CCOCC3)CCSC2)c1	ZINC000041701617	670149542	/nfs/dbraw/zinc/14/95/42/670149542.db2.gz	BBXDDFAOKLLAHZ-LPGQDOADSA-N	1	1	350.484	2.418	20	30		FEEDMO
COCCC[N@@H+](C)CCNc1c(C#N)cnc2c(F)c(F)c(F)cc21	ZINC000575148020	671301522	/nfs/dbraw/zinc/30/15/22/671301522.db2.gz	VPQWXLMDTSONNF-UHFFFAOYSA-N	1	1	352.360	2.326	20	30		FEEDMO
CC(C)[C@@H]1[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC12CCOCC2	ZINC000575231122	671306711	/nfs/dbraw/zinc/30/67/11/671306711.db2.gz	PLRNUXVPTSAAGW-SFHVURJKSA-N	1	1	362.495	2.469	20	30		FEEDMO
CC(C)[C@@H]1[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)CC12CCOCC2	ZINC000575231122	671306715	/nfs/dbraw/zinc/30/67/15/671306715.db2.gz	PLRNUXVPTSAAGW-SFHVURJKSA-N	1	1	362.495	2.469	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CCC1	ZINC000576086980	671343094	/nfs/dbraw/zinc/34/30/94/671343094.db2.gz	PBYDIHIQWRGBML-ZDUSSCGKSA-N	1	1	359.392	2.230	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CCC1	ZINC000576086980	671343097	/nfs/dbraw/zinc/34/30/97/671343097.db2.gz	PBYDIHIQWRGBML-ZDUSSCGKSA-N	1	1	359.392	2.230	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1	ZINC000609403378	675921340	/nfs/dbraw/zinc/92/13/40/675921340.db2.gz	QVGOIDAMISIKAR-UONOGXRCSA-N	1	1	360.483	2.087	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000579292235	671725097	/nfs/dbraw/zinc/72/50/97/671725097.db2.gz	BYYMCEGEMNNGNV-UONOGXRCSA-N	1	1	366.487	2.223	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1	ZINC000579564167	671744985	/nfs/dbraw/zinc/74/49/85/671744985.db2.gz	ZUOUUSJWFDTKAH-RBUKOAKNSA-N	1	1	362.495	2.205	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1	ZINC000579564167	671744987	/nfs/dbraw/zinc/74/49/87/671744987.db2.gz	ZUOUUSJWFDTKAH-RBUKOAKNSA-N	1	1	362.495	2.205	20	30		FEEDMO
C[C@H](O)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1F	ZINC000583143353	672067563	/nfs/dbraw/zinc/06/75/63/672067563.db2.gz	HQRZVRULBKHROI-UGSOOPFHSA-N	1	1	362.426	2.183	20	30		FEEDMO
CSC[C@H]1CCC[N@H+]1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O	ZINC000130948248	672081647	/nfs/dbraw/zinc/08/16/47/672081647.db2.gz	PZLUWXBAEZELSH-MRXNPFEDSA-N	1	1	358.467	2.107	20	30		FEEDMO
C[C@H]1C[C@H]1[N@H+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H](C)C1	ZINC000583358344	672087124	/nfs/dbraw/zinc/08/71/24/672087124.db2.gz	RVHDSUPDPQOKJF-YALNPMBYSA-N	1	1	358.511	2.387	20	30		FEEDMO
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CO[NH+]=C(N)C1CCOCC1	ZINC000151618561	672166780	/nfs/dbraw/zinc/16/67/80/672166780.db2.gz	XNKXMNDQNYYVCF-LLVKDONJSA-N	1	1	355.385	2.200	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1	ZINC000155573894	672235409	/nfs/dbraw/zinc/23/54/09/672235409.db2.gz	RJWODRFSORMTNX-GUYCJALGSA-N	1	1	357.845	2.246	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H](O)c1ccc(Cl)cc1	ZINC000155573894	672235414	/nfs/dbraw/zinc/23/54/14/672235414.db2.gz	RJWODRFSORMTNX-GUYCJALGSA-N	1	1	357.845	2.246	20	30		FEEDMO
CC(=O)N1CC[NH+](Cc2ccc(NCc3nc(C#N)cs3)cc2)CC1	ZINC000589316902	672521920	/nfs/dbraw/zinc/52/19/20/672521920.db2.gz	UILKELSZZVLGJY-UHFFFAOYSA-N	1	1	355.467	2.291	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)C#Cc1ccc(C(F)(F)F)cc1	ZINC000191268495	672662574	/nfs/dbraw/zinc/66/25/74/672662574.db2.gz	LISFSBXJTNZVBP-INIZCTEOSA-N	1	1	354.372	2.284	20	30		FEEDMO
C=CCc1cc(OC)cc(C[N@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1O	ZINC000192945154	672707488	/nfs/dbraw/zinc/70/74/88/672707488.db2.gz	UEHXMJVHLUVHFB-INIZCTEOSA-N	1	1	351.468	2.281	20	30		FEEDMO
C=CCc1cc(OC)cc(C[N@@H+](C2CC2)[C@H]2CCS(=O)(=O)C2)c1O	ZINC000192945154	672707491	/nfs/dbraw/zinc/70/74/91/672707491.db2.gz	UEHXMJVHLUVHFB-INIZCTEOSA-N	1	1	351.468	2.281	20	30		FEEDMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc(Br)cc1C#N	ZINC000593165340	672885901	/nfs/dbraw/zinc/88/59/01/672885901.db2.gz	DNSCLELLCPAGIX-HNNXBMFYSA-N	1	1	350.260	2.416	20	30		FEEDMO
C[NH+]=C(NCC1(N2CCSCC2)CCCCC1)N(C)Cc1ccon1	ZINC000261733954	672902199	/nfs/dbraw/zinc/90/21/99/672902199.db2.gz	JVHBMZRLTYXSDB-UHFFFAOYSA-N	1	1	365.547	2.434	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)Cc2ccc(Br)cc2C#N)CC[N@@H+]1C	ZINC000593577665	672949664	/nfs/dbraw/zinc/94/96/64/672949664.db2.gz	GEOWQLJMNNCKQL-NEPJUHHUSA-N	1	1	350.260	2.414	20	30		FEEDMO
N#Cc1sccc1S(=O)(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000593588859	672952092	/nfs/dbraw/zinc/95/20/92/672952092.db2.gz	NSWUWMHTXLVNBX-OAHLLOKOSA-N	1	1	361.492	2.420	20	30		FEEDMO
COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2ccsc2C#N)cc1	ZINC000593593705	672953495	/nfs/dbraw/zinc/95/34/95/672953495.db2.gz	YRMQKJFLSXHRIU-CQSZACIVSA-N	1	1	365.480	2.210	20	30		FEEDMO
C[C@H](NC1(CNC(=[NH2+])N2CCSCC2)CCOCC1)c1ccccc1	ZINC000304736873	673020206	/nfs/dbraw/zinc/02/02/06/673020206.db2.gz	AEZZKBUZUWBIOK-INIZCTEOSA-N	1	1	362.543	2.250	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)[N@H+](C)C1	ZINC000329045397	673071535	/nfs/dbraw/zinc/07/15/35/673071535.db2.gz	USDKKSOTNKNCCK-ZNMIVQPWSA-N	1	1	351.834	2.121	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)[N@@H+](C)C1	ZINC000329045397	673071540	/nfs/dbraw/zinc/07/15/40/673071540.db2.gz	USDKKSOTNKNCCK-ZNMIVQPWSA-N	1	1	351.834	2.121	20	30		FEEDMO
CC[C@@H]1OCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C	ZINC000329117482	673072287	/nfs/dbraw/zinc/07/22/87/673072287.db2.gz	NXBFKTJEDUGSSU-QHEDDYRISA-N	1	1	351.491	2.232	20	30		FEEDMO
CCc1csc([C@@H]2CCCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)C2)n1	ZINC000329526979	673078757	/nfs/dbraw/zinc/07/87/57/673078757.db2.gz	HQZWTZPLPDGUPJ-GDBMZVCRSA-N	1	1	365.547	2.045	20	30		FEEDMO
CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)CCc2ccc(C#N)cc2)CC1	ZINC000595498364	673258284	/nfs/dbraw/zinc/25/82/84/673258284.db2.gz	RUBITRVWIYXNKU-MRXNPFEDSA-N	1	1	363.527	2.483	20	30		FEEDMO
C=CCCSCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000596719476	673407011	/nfs/dbraw/zinc/40/70/11/673407011.db2.gz	STZRQMWUWRFZAB-SFHVURJKSA-N	1	1	363.527	2.362	20	30		FEEDMO
C=CCCSCCNC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000596722590	673407287	/nfs/dbraw/zinc/40/72/87/673407287.db2.gz	WKNDYBWWPSDTGG-HDICACEKSA-N	1	1	368.591	2.496	20	30		FEEDMO
C=CC[C@@H](C)NC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000538057516	673420515	/nfs/dbraw/zinc/42/05/15/673420515.db2.gz	WPPQQFXFIHVTOK-ZACQAIPSSA-N	1	1	353.507	2.251	20	30		FEEDMO
C=CC[C@@H](C)NC(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000538057516	673420521	/nfs/dbraw/zinc/42/05/21/673420521.db2.gz	WPPQQFXFIHVTOK-ZACQAIPSSA-N	1	1	353.507	2.251	20	30		FEEDMO
C=CCCSCCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000597303077	673466019	/nfs/dbraw/zinc/46/60/19/673466019.db2.gz	DMLBXKGNFDJYBA-HOTGVXAUSA-N	1	1	367.559	2.181	20	30		FEEDMO
CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1	ZINC000598585578	673586883	/nfs/dbraw/zinc/58/68/83/673586883.db2.gz	GEQGMQYSFCUVGH-QGZVFWFLSA-N	1	1	363.889	2.327	20	30		FEEDMO
COC(=O)c1cnc([C@H]2CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C2)s1	ZINC000598628215	673592670	/nfs/dbraw/zinc/59/26/70/673592670.db2.gz	LSGVRCGRSAIOTP-QWHCGFSZSA-N	1	1	351.472	2.410	20	30		FEEDMO
C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599308840	673656553	/nfs/dbraw/zinc/65/65/53/673656553.db2.gz	YBLWIZNHNUVWND-HMFAJSFMSA-N	1	1	364.511	2.488	20	30		FEEDMO
N#CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC1	ZINC000543808540	673671859	/nfs/dbraw/zinc/67/18/59/673671859.db2.gz	UUDBZABYTCCRJC-UHFFFAOYSA-N	1	1	358.833	2.485	20	30		FEEDMO
C[N@@H+](Cc1nc(-c2cccs2)no1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599411598	673672073	/nfs/dbraw/zinc/67/20/73/673672073.db2.gz	AOOMEHPDSIICSJ-ZDUSSCGKSA-N	1	1	362.455	2.301	20	30		FEEDMO
C[N@H+](Cc1nc(-c2cccs2)no1)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599411598	673672076	/nfs/dbraw/zinc/67/20/76/673672076.db2.gz	AOOMEHPDSIICSJ-ZDUSSCGKSA-N	1	1	362.455	2.301	20	30		FEEDMO
CC[N@H+]1CCC(N=Nc2ncnc3c2c(Br)nn3C)[C@@H](C)C1	ZINC000741464007	673687978	/nfs/dbraw/zinc/68/79/78/673687978.db2.gz	LVBIHDQFWHOMEJ-VIFPVBQESA-N	1	1	366.267	2.255	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)Oc1cccc(Br)c1	ZINC000742849617	673740014	/nfs/dbraw/zinc/74/00/14/673740014.db2.gz	QMTVCCCKTKCGBV-BBRMVZONSA-N	1	1	365.271	2.430	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)Oc1cccc(Br)c1	ZINC000742849617	673740016	/nfs/dbraw/zinc/74/00/16/673740016.db2.gz	QMTVCCCKTKCGBV-BBRMVZONSA-N	1	1	365.271	2.430	20	30		FEEDMO
C[C@@H]1C[N@@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C[C@H](C)S1	ZINC000743376775	673757361	/nfs/dbraw/zinc/75/73/61/673757361.db2.gz	UXPABSSOYKYMBB-OKILXGFUSA-N	1	1	358.467	2.106	20	30		FEEDMO
C[C@@H]1C[N@H+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C[C@H](C)S1	ZINC000743376775	673757362	/nfs/dbraw/zinc/75/73/62/673757362.db2.gz	UXPABSSOYKYMBB-OKILXGFUSA-N	1	1	358.467	2.106	20	30		FEEDMO
C[C@@](O)(C[C@H](O)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1)C1CC1	ZINC000600846194	673803492	/nfs/dbraw/zinc/80/34/92/673803492.db2.gz	NESVHYCGQAEDLY-QFBILLFUSA-N	1	1	363.889	2.246	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCNc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603268107	673920139	/nfs/dbraw/zinc/92/01/39/673920139.db2.gz	FLZGUQJNGYEHOZ-AWEZNQCLSA-N	1	1	350.488	2.023	20	30		FEEDMO
C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(C#N)c(Br)cn1	ZINC000603373370	673927205	/nfs/dbraw/zinc/92/72/05/673927205.db2.gz	CQUYLGVDCJCLHG-AAEUAGOBSA-N	1	1	351.248	2.015	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)COc1ccc(Br)cc1F	ZINC000818584204	675226177	/nfs/dbraw/zinc/22/61/77/675226177.db2.gz	HNMCRZKKYGOMIL-UHFFFAOYSA-N	1	1	357.223	2.038	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1nc(CC)n(-c2ccccc2Cl)n1	ZINC000818588949	675226556	/nfs/dbraw/zinc/22/65/56/675226556.db2.gz	KKSVQLWRIYRERX-UHFFFAOYSA-N	1	1	359.861	2.168	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1C	ZINC000819452292	675291645	/nfs/dbraw/zinc/29/16/45/675291645.db2.gz	KKYPPNDQVLCHBJ-QLFBSQMISA-N	1	1	352.479	2.125	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC[N@@H+]1C	ZINC000819459682	675292264	/nfs/dbraw/zinc/29/22/64/675292264.db2.gz	ZWVXMBSLWOEZSY-ILXRZTDVSA-N	1	1	352.479	2.125	20	30		FEEDMO
CN(CC(C)(C)C#N)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000567580160	675303773	/nfs/dbraw/zinc/30/37/73/675303773.db2.gz	YBKKFBICOBLUJJ-OAHLLOKOSA-N	1	1	363.531	2.228	20	30		FEEDMO
C#CCN(CC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)C(=O)OC(C)(C)C	ZINC000822059227	675467589	/nfs/dbraw/zinc/46/75/89/675467589.db2.gz	PSXWZDSSISZFHZ-HOTGVXAUSA-N	1	1	351.491	2.093	20	30		FEEDMO
C#CCN(CC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)C(=O)OC(C)(C)C	ZINC000823333227	675545452	/nfs/dbraw/zinc/54/54/52/675545452.db2.gz	URPRGMCPYOLMIY-JKSUJKDBSA-N	1	1	351.491	2.093	20	30		FEEDMO
C=CC1(CC(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000824841789	675625223	/nfs/dbraw/zinc/62/52/23/675625223.db2.gz	NQVXJRYWEVHKJA-OAHLLOKOSA-N	1	1	351.491	2.352	20	30		FEEDMO
C=CC1(CC(=O)N[C@@H]2CC[N@H+](CCC)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000825625571	675661517	/nfs/dbraw/zinc/66/15/17/675661517.db2.gz	NJAUAFKMXZBPJA-OAHLLOKOSA-N	1	1	351.491	2.400	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000604016918	675802921	/nfs/dbraw/zinc/80/29/21/675802921.db2.gz	IWUZOWXTCGKORC-GFCCVEGCSA-N	1	1	361.389	2.340	20	30		FEEDMO
C#CCN(CC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)C(=O)OC(C)(C)C	ZINC000828596493	675832817	/nfs/dbraw/zinc/83/28/17/675832817.db2.gz	WQLKABLZVGKJDO-HZPDHXFCSA-N	1	1	351.491	2.045	20	30		FEEDMO
C[C@H](CCC#N)C[N@H+]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000618887179	676355737	/nfs/dbraw/zinc/35/57/37/676355737.db2.gz	LFXRBWICFKIBKD-OAHLLOKOSA-N	1	1	353.463	2.462	20	30		FEEDMO
N#CCc1ccccc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCC1	ZINC000619572000	676385362	/nfs/dbraw/zinc/38/53/62/676385362.db2.gz	ITTVBHRGDZTTKN-MRXNPFEDSA-N	1	1	359.451	2.461	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)ccc1C(F)(F)F	ZINC000619709628	676391619	/nfs/dbraw/zinc/39/16/19/676391619.db2.gz	SRADZIOYWJDDSD-ZDUSSCGKSA-N	1	1	373.400	2.340	20	30		FEEDMO
C=CCOc1c(Cl)cc(CN2CC[N@@H+](CCO)[C@H](C)C2)cc1OC	ZINC000628242134	676795526	/nfs/dbraw/zinc/79/55/26/676795526.db2.gz	SQHNVMDKTMQAII-CQSZACIVSA-N	1	1	354.878	2.412	20	30		FEEDMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C#Cc1cccs1	ZINC000830069082	677023749	/nfs/dbraw/zinc/02/37/49/677023749.db2.gz	IGZWCVQRZOEKMM-FQEVSTJZSA-N	1	1	354.475	2.195	20	30		FEEDMO
C=CCCCS(=O)(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21	ZINC000651840928	677455839	/nfs/dbraw/zinc/45/58/39/677455839.db2.gz	BEYKDVMIYWFHCP-OALUTQOASA-N	1	1	364.511	2.258	20	30		FEEDMO
C=CCn1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)nn1	ZINC000652032496	677468355	/nfs/dbraw/zinc/46/83/55/677468355.db2.gz	ZFAGBMPEUBWGTE-HNNXBMFYSA-N	1	1	359.499	2.428	20	30		FEEDMO
N#CC1(NC(=O)c2cnc(Cl)cn2)CC[NH+](Cc2ccccc2)CC1	ZINC000839318157	680748832	/nfs/dbraw/zinc/74/88/32/680748832.db2.gz	PLGSCFPPZDYKIP-UHFFFAOYSA-N	1	1	355.829	2.418	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C	ZINC000839654932	680769189	/nfs/dbraw/zinc/76/91/89/680769189.db2.gz	KSLCCHSVXIFSFA-SFHVURJKSA-N	1	1	354.495	2.230	20	30		FEEDMO
C=CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1	ZINC000661378727	678472601	/nfs/dbraw/zinc/47/26/01/678472601.db2.gz	LFZQFNDUJOQISV-MRXNPFEDSA-N	1	1	361.511	2.321	20	30		FEEDMO
C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CC[N@H+](CC)[C@H](C)C1	ZINC000670230172	679276640	/nfs/dbraw/zinc/27/66/40/679276640.db2.gz	LSTLNWWDRFHXOR-HZPDHXFCSA-N	1	1	351.495	2.109	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1	ZINC000831170674	679940031	/nfs/dbraw/zinc/94/00/31/679940031.db2.gz	WOLFZAPRRUOZSF-KSSFIOAISA-N	1	1	351.397	2.332	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@](O)(C(F)F)C2)cc1	ZINC000831170674	679940035	/nfs/dbraw/zinc/94/00/35/679940035.db2.gz	WOLFZAPRRUOZSF-KSSFIOAISA-N	1	1	351.397	2.332	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[N@H+](CCc2csc(C)n2)CC1(C)C	ZINC000975064264	680011128	/nfs/dbraw/zinc/01/11/28/680011128.db2.gz	MPVDTXVRHZHQDU-IKGGRYGDSA-N	1	1	363.527	2.412	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1	ZINC000992955738	680138476	/nfs/dbraw/zinc/13/84/76/680138476.db2.gz	CWSUHJIWUUOKGX-CLCXKQKWSA-N	1	1	367.921	2.166	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1	ZINC000992956833	680138706	/nfs/dbraw/zinc/13/87/06/680138706.db2.gz	NNOUPOYDLKZYPT-KHYOSLBOSA-N	1	1	367.921	2.024	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001023379680	680258144	/nfs/dbraw/zinc/25/81/44/680258144.db2.gz	MKIIGHMMAFBGTB-RVKKMQEKSA-N	1	1	360.527	2.288	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC001023379680	680258146	/nfs/dbraw/zinc/25/81/46/680258146.db2.gz	MKIIGHMMAFBGTB-RVKKMQEKSA-N	1	1	360.527	2.288	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](CC[C@@H]2CCOC2)CC1	ZINC000982135030	680270386	/nfs/dbraw/zinc/27/03/86/680270386.db2.gz	NYLNZFBPFBMMDZ-QYZOEREBSA-N	1	1	350.503	2.319	20	30		FEEDMO
C=C(Br)CN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001024447540	680290355	/nfs/dbraw/zinc/29/03/55/680290355.db2.gz	XAIQUXBWWBWORW-RBSFLKMASA-N	1	1	358.324	2.206	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1nnc(CC)s1	ZINC001025090988	680313108	/nfs/dbraw/zinc/31/31/08/680313108.db2.gz	WTBVLNIJEPJKLW-KFWWJZLASA-N	1	1	364.515	2.162	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCc2csc(C)n2)C1	ZINC001028549048	680374265	/nfs/dbraw/zinc/37/42/65/680374265.db2.gz	KZOSKSNBIBDVJQ-NXHRZFHOSA-N	1	1	363.527	2.413	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC001028605289	680378314	/nfs/dbraw/zinc/37/83/14/680378314.db2.gz	QKTLIXHLZNDNOR-ARFHVFGLSA-N	1	1	366.893	2.078	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC001028605289	680378317	/nfs/dbraw/zinc/37/83/17/680378317.db2.gz	QKTLIXHLZNDNOR-ARFHVFGLSA-N	1	1	366.893	2.078	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1	ZINC001028810053	680383463	/nfs/dbraw/zinc/38/34/63/680383463.db2.gz	VCHPKFWXZMMSDM-UNEWFSDZSA-N	1	1	350.409	2.494	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cc(OC)ns2)C1	ZINC001029846182	680394020	/nfs/dbraw/zinc/39/40/20/680394020.db2.gz	BBUYEQWKTPJJAR-BMFZPTHFSA-N	1	1	365.499	2.023	20	30		FEEDMO
C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3ccsc3)nn2)C1	ZINC000999998502	680416358	/nfs/dbraw/zinc/41/63/58/680416358.db2.gz	TVABIJHHLSAVQY-IXDOHACOSA-N	1	1	357.483	2.192	20	30		FEEDMO
C[NH+]1CCN(c2ncc(C=[NH+][N-]c3nccc4sccc43)cn2)CC1	ZINC000755653708	680427004	/nfs/dbraw/zinc/42/70/04/680427004.db2.gz	CVBPLSHTXJVLAD-UHFFFAOYSA-N	1	1	353.455	2.284	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1CC[NH+](Cc2snnc2C)CC1	ZINC001001412964	680460910	/nfs/dbraw/zinc/46/09/10/680460910.db2.gz	IOFGFCCRJACGDU-CVEARBPZSA-N	1	1	364.515	2.156	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](CC)OC	ZINC001039945363	680468062	/nfs/dbraw/zinc/46/80/62/680468062.db2.gz	ZRYXZUCDYHAOSL-LFDJNIOPSA-N	1	1	350.503	2.458	20	30		FEEDMO
C=C(Br)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@]34C[C@H]3COC4)C2)C1	ZINC001040215284	680469293	/nfs/dbraw/zinc/46/92/93/680469293.db2.gz	FXAJTGNUZOFUMA-UAGQMJEPSA-N	1	1	369.303	2.246	20	30		FEEDMO
C=C(Br)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@]34C[C@H]3COC4)C2)C1	ZINC001040215284	680469296	/nfs/dbraw/zinc/46/92/96/680469296.db2.gz	FXAJTGNUZOFUMA-UAGQMJEPSA-N	1	1	369.303	2.246	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)NC2CCN(Cc3ccc(C#N)s3)CC2)CC[N@H+]1C	ZINC001002858756	680511821	/nfs/dbraw/zinc/51/18/21/680511821.db2.gz	GCPRAJAPCIQALF-ZWKOTPCHSA-N	1	1	360.527	2.431	20	30		FEEDMO
Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)c1C#N	ZINC001042210780	680524036	/nfs/dbraw/zinc/52/40/36/680524036.db2.gz	CLLRZVQPPHOVLG-WQVCFCJDSA-N	1	1	361.515	2.137	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2	ZINC001004366920	680555667	/nfs/dbraw/zinc/55/56/67/680555667.db2.gz	LIOCTJUOOLLAJM-FPCVCCKLSA-N	1	1	367.921	2.355	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1	ZINC000758302734	680568735	/nfs/dbraw/zinc/56/87/35/680568735.db2.gz	PLXYNEJERKXXRY-CVEARBPZSA-N	1	1	355.479	2.053	20	30		FEEDMO
C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)C1	ZINC001047310628	680660065	/nfs/dbraw/zinc/66/00/65/680660065.db2.gz	WDZQZZUFAKTMBB-QJPTWQEYSA-N	1	1	367.906	2.317	20	30		FEEDMO
C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H](Nc3ncc(C#N)cc3Cl)C2)C1	ZINC001047310838	680660239	/nfs/dbraw/zinc/66/02/39/680660239.db2.gz	XWAFZBMDOMAVSK-AEGPPILISA-N	1	1	361.877	2.255	20	30		FEEDMO
CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2ccc(C#N)s2)CC1	ZINC000841894948	680916907	/nfs/dbraw/zinc/91/69/07/680916907.db2.gz	JBGPXUBAPAITJV-UHFFFAOYSA-N	1	1	351.472	2.471	20	30		FEEDMO
C=CCCCCCCCNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1	ZINC000841904468	680917034	/nfs/dbraw/zinc/91/70/34/680917034.db2.gz	NWHGVNMSQWOAPI-KRWDZBQOSA-N	1	1	350.507	2.119	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](Cc3cnc(C)s3)C[C@H]21	ZINC001050144178	681042332	/nfs/dbraw/zinc/04/23/32/681042332.db2.gz	LUUXKIPYXIEMKE-HPBDAGMYSA-N	1	1	361.511	2.465	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1c1nc(C#N)c(Cl)s1	ZINC001050454698	681048392	/nfs/dbraw/zinc/04/83/92/681048392.db2.gz	NZHCTYFLARBBMK-WOPDTQHZSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CCC1CCCCC1	ZINC001051115343	681062632	/nfs/dbraw/zinc/06/26/32/681062632.db2.gz	VPVCKOTZLHBISA-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CCC1CCCCC1	ZINC001051115343	681062633	/nfs/dbraw/zinc/06/26/33/681062633.db2.gz	VPVCKOTZLHBISA-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC1CCCCC1	ZINC001051154835	681064342	/nfs/dbraw/zinc/06/43/42/681064342.db2.gz	JOZNSWKVVBFUOY-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC1CCCCC1	ZINC001051154835	681064345	/nfs/dbraw/zinc/06/43/45/681064345.db2.gz	JOZNSWKVVBFUOY-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
N#Cc1cc(Br)ccc1CC(=O)OCCC[NH+]1CCOCC1	ZINC000845329506	681118551	/nfs/dbraw/zinc/11/85/51/681118551.db2.gz	BMSWWTQCEAINRT-UHFFFAOYSA-N	1	1	367.243	2.129	20	30		FEEDMO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C3)c1C#N	ZINC001055448620	681136110	/nfs/dbraw/zinc/13/61/10/681136110.db2.gz	AIPAFZGFKJRPSI-CUBALJKWSA-N	1	1	359.499	2.033	20	30		FEEDMO
CNC(=O)CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932943213	681331838	/nfs/dbraw/zinc/33/18/38/681331838.db2.gz	JGXDOTBNIXEDCZ-KNVOCYPGSA-N	1	1	354.241	2.225	20	30		FEEDMO
C[S@@](=O)CC[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932945124	681333104	/nfs/dbraw/zinc/33/31/04/681333104.db2.gz	RNPPCTKSVRONBY-ISLUHNCBSA-N	1	1	359.282	2.468	20	30		FEEDMO
C[S@@](=O)CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932945124	681333108	/nfs/dbraw/zinc/33/31/08/681333108.db2.gz	RNPPCTKSVRONBY-ISLUHNCBSA-N	1	1	359.282	2.468	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CCCO1	ZINC000775785969	681335300	/nfs/dbraw/zinc/33/53/00/681335300.db2.gz	UFNDAUYRGBKXON-CABCVRRESA-N	1	1	358.335	2.231	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)[C@@H]1CCCO1	ZINC000775792071	681335555	/nfs/dbraw/zinc/33/55/55/681335555.db2.gz	PVKFEJOXEUNXIM-KGLIPLIRSA-N	1	1	364.467	2.251	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)[C@H]1CCCO1	ZINC000775792760	681335902	/nfs/dbraw/zinc/33/59/02/681335902.db2.gz	ADVQXHZNJKOIEL-UKRRQHHQSA-N	1	1	351.244	2.466	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1sc(CC)cc1C(=O)OCC)[C@@H]1CCCO1	ZINC000775796860	681336156	/nfs/dbraw/zinc/33/61/56/681336156.db2.gz	AQGVAAUTUXLXEW-CABCVRRESA-N	1	1	364.467	2.196	20	30		FEEDMO
C#C[C@@H]1CCCN(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1	ZINC000847265517	681355515	/nfs/dbraw/zinc/35/55/15/681355515.db2.gz	AKXUXZDZCSHHGB-SJORKVTESA-N	1	1	360.527	2.091	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N(C)Cc1ccc2c(c1)OC(F)(F)O2	ZINC000847378030	681370812	/nfs/dbraw/zinc/37/08/12/681370812.db2.gz	ISNLITMYDATMCT-UHFFFAOYSA-N	1	1	353.369	2.105	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH2+][C@@H](CO)c1ccccc1C(F)(F)F)C1CC1	ZINC000933248876	681380463	/nfs/dbraw/zinc/38/04/63/681380463.db2.gz	WAHFKVKFTGYUMS-HOCLYGCPSA-N	1	1	355.360	2.137	20	30		FEEDMO
CCC1(CC)CNC(=O)[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000933291806	681388833	/nfs/dbraw/zinc/38/88/33/681388833.db2.gz	VCLDWEYDFVHUAO-NHYWBVRUSA-N	1	1	362.861	2.433	20	30		FEEDMO
CCC1(CC)CNC(=O)[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000933291805	681389050	/nfs/dbraw/zinc/38/90/50/681389050.db2.gz	VCLDWEYDFVHUAO-IAQYHMDHSA-N	1	1	362.861	2.433	20	30		FEEDMO
C=CC1(CC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000933485825	681419717	/nfs/dbraw/zinc/41/97/17/681419717.db2.gz	HWCPBIRBMJAMGY-HNNXBMFYSA-N	1	1	351.491	2.352	20	30		FEEDMO
C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC2(CC1)CC(=O)C=CO2	ZINC000933653254	681445993	/nfs/dbraw/zinc/44/59/93/681445993.db2.gz	RMSIFWGYTVWMDY-AWEZNQCLSA-N	1	1	360.479	2.359	20	30		FEEDMO
O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)NCCc1ccc(Cl)cc1	ZINC000933658136	681446588	/nfs/dbraw/zinc/44/65/88/681446588.db2.gz	TUSAJAISNAPTRO-UHFFFAOYSA-N	1	1	362.857	2.336	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933715095	681456371	/nfs/dbraw/zinc/45/63/71/681456371.db2.gz	YNBDTNBWNRXCLR-GFCCVEGCSA-N	1	1	355.364	2.047	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)CC1	ZINC000934336651	681554018	/nfs/dbraw/zinc/55/40/18/681554018.db2.gz	FXZBJXRFDSMFJC-ULQDDVLXSA-N	1	1	358.511	2.331	20	30		FEEDMO
C=CC[C@@H]1CC[N@H+]1Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC	ZINC000934465561	681574626	/nfs/dbraw/zinc/57/46/26/681574626.db2.gz	DLHWAIITFKKALG-CQSZACIVSA-N	1	1	362.499	2.457	20	30		FEEDMO
C=CC[C@@H]1CC[N@@H+]1Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC	ZINC000934465561	681574629	/nfs/dbraw/zinc/57/46/29/681574629.db2.gz	DLHWAIITFKKALG-CQSZACIVSA-N	1	1	362.499	2.457	20	30		FEEDMO
CN(C)S(=O)(=O)c1ccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)cc1	ZINC000848623331	681591169	/nfs/dbraw/zinc/59/11/69/681591169.db2.gz	DGFAWIARSCBLJE-CQSZACIVSA-N	1	1	363.443	2.071	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCO[C@H]1CC)CCO2	ZINC000949145405	681620835	/nfs/dbraw/zinc/62/08/35/681620835.db2.gz	CYRMDHKQAHIONT-CVEARBPZSA-N	1	1	356.894	2.247	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1	ZINC000949361908	681634646	/nfs/dbraw/zinc/63/46/46/681634646.db2.gz	LIWZPHBVEZWKNR-MUKKUYKPSA-N	1	1	367.921	2.214	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCNc1cccc(Br)c1	ZINC000779044943	681674791	/nfs/dbraw/zinc/67/47/91/681674791.db2.gz	IRHPTKQTVJHDHT-HNNXBMFYSA-N	1	1	350.260	2.075	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNc1cccc(Br)c1	ZINC000779044943	681674796	/nfs/dbraw/zinc/67/47/96/681674796.db2.gz	IRHPTKQTVJHDHT-HNNXBMFYSA-N	1	1	350.260	2.075	20	30		FEEDMO
N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1	ZINC000849460306	681746658	/nfs/dbraw/zinc/74/66/58/681746658.db2.gz	AINGORDHSJUJRZ-CYBMUJFWSA-N	1	1	351.447	2.383	20	30		FEEDMO
C[C@@H](CNC(=O)NCc1ccc(C#N)cn1)[N@@H+]1CCc2sccc2C1	ZINC000780297566	681812390	/nfs/dbraw/zinc/81/23/90/681812390.db2.gz	ATTMMJQGVGVPSJ-ZDUSSCGKSA-N	1	1	355.467	2.261	20	30		FEEDMO
C[C@@H](CNC(=O)NCc1ccc(C#N)cn1)[N@H+]1CCc2sccc2C1	ZINC000780297566	681812395	/nfs/dbraw/zinc/81/23/95/681812395.db2.gz	ATTMMJQGVGVPSJ-ZDUSSCGKSA-N	1	1	355.467	2.261	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCc3scnc3C)C[C@H]21	ZINC000959947166	682012762	/nfs/dbraw/zinc/01/27/62/682012762.db2.gz	PLOPVGUXGUYHBO-LFRCEIEQSA-N	1	1	361.511	2.022	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1	ZINC000940311239	682048948	/nfs/dbraw/zinc/04/89/48/682048948.db2.gz	NTFQGVBMXBLXCV-UKRRQHHQSA-N	1	1	369.937	2.460	20	30		FEEDMO
CCOc1ccc(/C=N/C[C@]2([NH+]3CCOCC3)CCSC2)c(O)c1	ZINC000915113534	685512220	/nfs/dbraw/zinc/51/22/20/685512220.db2.gz	XYGGQNYDVWUYBZ-LSCADSNKSA-N	1	1	350.484	2.418	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+]Cc1cnn(Cc2ccccc2Cl)c1	ZINC000782969055	682099337	/nfs/dbraw/zinc/09/93/37/682099337.db2.gz	UWDJRCONYARNNT-UHFFFAOYSA-N	1	1	353.875	2.275	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3ccns3)C[C@H]21	ZINC000961993710	682105529	/nfs/dbraw/zinc/10/55/29/682105529.db2.gz	HIYXOJJVIKKSMR-AVEIZBFRSA-N	1	1	361.511	2.103	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(Cl)nc3)C[C@H]21	ZINC000962019777	682107398	/nfs/dbraw/zinc/10/73/98/682107398.db2.gz	UXYSYPQDVGHWKC-DTJSUFBGSA-N	1	1	361.873	2.263	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)nc3)C[C@H]21	ZINC000962019777	682107401	/nfs/dbraw/zinc/10/74/01/682107401.db2.gz	UXYSYPQDVGHWKC-DTJSUFBGSA-N	1	1	361.873	2.263	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C(=O)OC)c2ccccc2Br)CC1	ZINC000851872512	682171965	/nfs/dbraw/zinc/17/19/65/682171965.db2.gz	FYOMYBMTQANFLK-INIZCTEOSA-N	1	1	365.271	2.304	20	30		FEEDMO
C=C(C)C[N@H+](CCn1cnc(Br)n1)Cc1ccc(CO)o1	ZINC000852039860	682207560	/nfs/dbraw/zinc/20/75/60/682207560.db2.gz	HRXDGIFKQXHRHL-UHFFFAOYSA-N	1	1	355.236	2.204	20	30		FEEDMO
C=C(C)C[N@@H+](CCn1cnc(Br)n1)Cc1ccc(CO)o1	ZINC000852039860	682207564	/nfs/dbraw/zinc/20/75/64/682207564.db2.gz	HRXDGIFKQXHRHL-UHFFFAOYSA-N	1	1	355.236	2.204	20	30		FEEDMO
COC(=O)C1(C#N)CC[NH+](CCc2ccc3c(c2)OC(F)(F)O3)CC1	ZINC000852136739	682225880	/nfs/dbraw/zinc/22/58/80/682225880.db2.gz	OXJJLGLFMWAKQR-UHFFFAOYSA-N	1	1	352.337	2.329	20	30		FEEDMO
C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC000968916431	682250471	/nfs/dbraw/zinc/25/04/71/682250471.db2.gz	CHKZCFRQANQIAG-ZNMIVQPWSA-N	1	1	364.408	2.270	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000968965620	682252293	/nfs/dbraw/zinc/25/22/93/682252293.db2.gz	TZQJVQJSZOGXLA-LUKYLMHMSA-N	1	1	356.894	2.151	20	30		FEEDMO
C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12	ZINC000968965620	682252295	/nfs/dbraw/zinc/25/22/95/682252295.db2.gz	TZQJVQJSZOGXLA-LUKYLMHMSA-N	1	1	356.894	2.151	20	30		FEEDMO
COCC#CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br	ZINC000852335415	682262239	/nfs/dbraw/zinc/26/22/39/682262239.db2.gz	FWRUEJDQPGXWHI-MNOVXSKESA-N	1	1	351.082	2.464	20	30		FEEDMO
COCC#CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Br)Br	ZINC000852335415	682262244	/nfs/dbraw/zinc/26/22/44/682262244.db2.gz	FWRUEJDQPGXWHI-MNOVXSKESA-N	1	1	351.082	2.464	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)C1=O	ZINC000852335556	682262260	/nfs/dbraw/zinc/26/22/60/682262260.db2.gz	JWBFOIWDFJEECE-AWEZNQCLSA-N	1	1	353.344	2.290	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)C1=O	ZINC000852335556	682262262	/nfs/dbraw/zinc/26/22/62/682262262.db2.gz	JWBFOIWDFJEECE-AWEZNQCLSA-N	1	1	353.344	2.290	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cs1	ZINC000917980530	685536148	/nfs/dbraw/zinc/53/61/48/685536148.db2.gz	SCAHDHHUQFOPTJ-OAHLLOKOSA-N	1	1	353.513	2.446	20	30		FEEDMO
C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC000971711072	682369118	/nfs/dbraw/zinc/36/91/18/682369118.db2.gz	ZLUKSDGKPKBYAA-ARFHVFGLSA-N	1	1	366.893	2.173	20	30		FEEDMO
C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC000971711072	682369123	/nfs/dbraw/zinc/36/91/23/682369123.db2.gz	ZLUKSDGKPKBYAA-ARFHVFGLSA-N	1	1	366.893	2.173	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1	ZINC000971718395	682369541	/nfs/dbraw/zinc/36/95/41/682369541.db2.gz	DRNSAURSIRIOSL-APHBMKBZSA-N	1	1	355.467	2.179	20	30		FEEDMO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1	ZINC000853347163	682407398	/nfs/dbraw/zinc/40/73/98/682407398.db2.gz	FWZZRKASDOYUSR-CVEARBPZSA-N	1	1	351.491	2.093	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000855336233	682658847	/nfs/dbraw/zinc/65/88/47/682658847.db2.gz	LDAPIBOBCUCIKE-GOSISDBHSA-N	1	1	364.490	2.481	20	30		FEEDMO
C=C(C)CS(=O)(=O)N1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1	ZINC000856549796	682792802	/nfs/dbraw/zinc/79/28/02/682792802.db2.gz	UZLRTVSFGHTWDV-SFHVURJKSA-N	1	1	367.515	2.281	20	30		FEEDMO
C=C[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000792488690	682814844	/nfs/dbraw/zinc/81/48/44/682814844.db2.gz	BVFJISVZFQIFGT-MRXNPFEDSA-N	1	1	351.491	2.496	20	30		FEEDMO
C[N@@H+]1CCN(Cc2cc(C#N)cs2)[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000793603432	682898672	/nfs/dbraw/zinc/89/86/72/682898672.db2.gz	ICXNWYKDPPOLPS-AWEZNQCLSA-N	1	1	350.488	2.260	20	30		FEEDMO
C[N@H+]1CCN(Cc2cc(C#N)cs2)[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000793603432	682898674	/nfs/dbraw/zinc/89/86/74/682898674.db2.gz	ICXNWYKDPPOLPS-AWEZNQCLSA-N	1	1	350.488	2.260	20	30		FEEDMO
C=CC[N@@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1	ZINC000929977517	683664361	/nfs/dbraw/zinc/66/43/61/683664361.db2.gz	VRHSSHOXDWEYOM-BZUAXINKSA-N	1	1	372.531	2.165	20	30		FEEDMO
C=CC[N@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1	ZINC000929977517	683664366	/nfs/dbraw/zinc/66/43/66/683664366.db2.gz	VRHSSHOXDWEYOM-BZUAXINKSA-N	1	1	372.531	2.165	20	30		FEEDMO
CCS(=O)(=O)C1(C[NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000922260802	683689164	/nfs/dbraw/zinc/68/91/64/683689164.db2.gz	NGDWUFSZWDMJTJ-UHFFFAOYSA-N	1	1	357.273	2.378	20	30		FEEDMO
COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1	ZINC000930451026	683735641	/nfs/dbraw/zinc/73/56/41/683735641.db2.gz	KTRDVGSKXGVCCB-BDAKNGLRSA-N	1	1	373.240	2.362	20	30		FEEDMO
COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C1	ZINC000930451026	683735643	/nfs/dbraw/zinc/73/56/43/683735643.db2.gz	KTRDVGSKXGVCCB-BDAKNGLRSA-N	1	1	373.240	2.362	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1	ZINC000930724896	683776473	/nfs/dbraw/zinc/77/64/73/683776473.db2.gz	AFIMXTIIOBUORS-UHFFFAOYSA-N	1	1	373.425	2.104	20	30		FEEDMO
C#CC1(O)CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)CC1	ZINC000931145317	683841129	/nfs/dbraw/zinc/84/11/29/683841129.db2.gz	HBJXMYFWMSIFNR-UHFFFAOYSA-N	1	1	355.265	2.112	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1	ZINC000931142934	683841331	/nfs/dbraw/zinc/84/13/31/683841331.db2.gz	AXLSYPORBCFAGX-CYBMUJFWSA-N	1	1	352.837	2.286	20	30		FEEDMO
C=C(Cl)C[C@@H]1NC(=O)N(Cc2ccc(C[NH+]3CCOCC3)cc2)C1=O	ZINC000865297515	683963095	/nfs/dbraw/zinc/96/30/95/683963095.db2.gz	WYHXKUSZVBHYGK-INIZCTEOSA-N	1	1	363.845	2.082	20	30		FEEDMO
C=C(Cl)C[C@H]1NC(=O)N(Cc2ccc(C[NH+]3CCOCC3)cc2)C1=O	ZINC000865297516	683963119	/nfs/dbraw/zinc/96/31/19/683963119.db2.gz	WYHXKUSZVBHYGK-MRXNPFEDSA-N	1	1	363.845	2.082	20	30		FEEDMO
C=C(Cl)C[C@H]1NC(=O)N(CC2(C[NH+]3CCOCC3)CCCCC2)C1=O	ZINC000865305712	683965429	/nfs/dbraw/zinc/96/54/29/683965429.db2.gz	UCGNXPQOWUUVRW-OAHLLOKOSA-N	1	1	369.893	2.332	20	30		FEEDMO
N#Cc1cccc(Br)c1NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000865500522	683990113	/nfs/dbraw/zinc/99/01/13/683990113.db2.gz	CIHOOYJBORTULY-ZDUSSCGKSA-N	1	1	365.275	2.320	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[NH+]1CCN(Cc2cncs2)CC1	ZINC000931361662	684268478	/nfs/dbraw/zinc/26/84/78/684268478.db2.gz	ZPYDGRGUMVJXBF-UHFFFAOYSA-N	1	1	355.467	2.161	20	30		FEEDMO
[NH3+]CCOCCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000923532088	684299833	/nfs/dbraw/zinc/29/98/33/684299833.db2.gz	ZJVARFRIWRWPKX-HTQZYQBOSA-N	1	1	356.257	2.065	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C(F)(F)F)nc3n2CCCC3)C1	ZINC000923557332	684305140	/nfs/dbraw/zinc/30/51/40/684305140.db2.gz	LRJPUQVSBKQHGQ-GFCCVEGCSA-N	1	1	354.376	2.066	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C(F)(F)F)nc3n2CCCC3)C1	ZINC000923557332	684305142	/nfs/dbraw/zinc/30/51/42/684305142.db2.gz	LRJPUQVSBKQHGQ-GFCCVEGCSA-N	1	1	354.376	2.066	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2nn(C(C)(C)C)cc2Br)C1	ZINC000923555564	684305362	/nfs/dbraw/zinc/30/53/62/684305362.db2.gz	BPRFICIPIZPDSO-LBPRGKRZSA-N	1	1	367.291	2.228	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2nn(C(C)(C)C)cc2Br)C1	ZINC000923555564	684305357	/nfs/dbraw/zinc/30/53/57/684305357.db2.gz	BPRFICIPIZPDSO-LBPRGKRZSA-N	1	1	367.291	2.228	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21	ZINC000868521131	684505610	/nfs/dbraw/zinc/50/56/10/684505610.db2.gz	QEOLRYKUYKZTLB-IHRRRGAJSA-N	1	1	357.882	2.185	20	30		FEEDMO
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1	ZINC000876966981	686302564	/nfs/dbraw/zinc/30/25/64/686302564.db2.gz	ARFKIJOINJDAMB-NSHDSACASA-N	1	1	364.858	2.366	20	30		FEEDMO
CN(c1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1)S(C)(=O)=O	ZINC000877008745	686309169	/nfs/dbraw/zinc/30/91/69/686309169.db2.gz	PBJFGOIEPNTFLY-UHFFFAOYSA-N	1	1	364.858	2.292	20	30		FEEDMO
Cc1nsc(N2CC[NH+](C[C@H]3CC4(CO3)CCOCC4)CC2)c1C#N	ZINC000878630176	686624484	/nfs/dbraw/zinc/62/44/84/686624484.db2.gz	TUMRAELNDFPWME-OAHLLOKOSA-N	1	1	362.499	2.031	20	30		FEEDMO
CONC(=O)C1CC[NH+](Cc2ccc(C#N)cc2Br)CC1	ZINC000879923289	686946628	/nfs/dbraw/zinc/94/66/28/686946628.db2.gz	DHPUXCWQGZOAQB-UHFFFAOYSA-N	1	1	352.232	2.210	20	30		FEEDMO
C[C@H](C#N)OCC[N@@H+]1C[C@@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880219655	687017936	/nfs/dbraw/zinc/01/79/36/687017936.db2.gz	PVTLRFDYHAMXGR-RKVPGOIHSA-N	1	1	353.463	2.015	20	30		FEEDMO
C[C@H](C#N)OCC[N@H+]1C[C@@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880219655	687017940	/nfs/dbraw/zinc/01/79/40/687017940.db2.gz	PVTLRFDYHAMXGR-RKVPGOIHSA-N	1	1	353.463	2.015	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1	ZINC000880311258	687032056	/nfs/dbraw/zinc/03/20/56/687032056.db2.gz	YYYLMEPJRLETNT-BHYGNILZSA-N	1	1	361.511	2.061	20	30		FEEDMO
CC1(C)[C@H](NC(=O)CSc2ccc(C#N)cc2)C[C@H]1[NH+]1CCOCC1	ZINC000880502440	687054912	/nfs/dbraw/zinc/05/49/12/687054912.db2.gz	QXTCMCSQZXXIDU-IAGOWNOFSA-N	1	1	359.495	2.266	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883099701	687564933	/nfs/dbraw/zinc/56/49/33/687564933.db2.gz	DGVSFELTJDGOBZ-UWVGGRQHSA-N	1	1	352.236	2.272	20	30		FEEDMO
C#CC[N@H+](CC[C@@H]1CCOC1=O)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427362	688253853	/nfs/dbraw/zinc/25/38/53/688253853.db2.gz	IBQKTYPDQXPPRB-OAHLLOKOSA-N	1	1	350.459	2.274	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](c2cccs2)C2(CO)CCC2)C1	ZINC000890363337	688910813	/nfs/dbraw/zinc/91/08/13/688910813.db2.gz	MURBVKWWZQBQPX-RDJZCZTQSA-N	1	1	361.511	2.349	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](c2cccs2)C2(CO)CCC2)C1	ZINC000890363337	688910814	/nfs/dbraw/zinc/91/08/14/688910814.db2.gz	MURBVKWWZQBQPX-RDJZCZTQSA-N	1	1	361.511	2.349	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)Cc2cc(C#N)cs2)C1	ZINC000891598143	689081763	/nfs/dbraw/zinc/08/17/63/689081763.db2.gz	OUBOGCDSZQKAGP-OAHLLOKOSA-N	1	1	350.488	2.118	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000893700235	689388658	/nfs/dbraw/zinc/38/86/58/689388658.db2.gz	VSBKJLDEFQLVCS-IAGOWNOFSA-N	1	1	362.499	2.405	20	30		FEEDMO
O=C1[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCCN1O	ZINC000895164688	689669999	/nfs/dbraw/zinc/66/99/99/689669999.db2.gz	HRELHSHKYFXGLW-GFCCVEGCSA-N	1	1	371.231	2.080	20	30		FEEDMO
O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CCCN1O	ZINC000895166047	689670567	/nfs/dbraw/zinc/67/05/67/689670567.db2.gz	OQYLEHATIVGOBJ-CABCVRRESA-N	1	1	354.834	2.368	20	30		FEEDMO
C[C@H]([NH2+]Cc1nc(C#N)cs1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1	ZINC000897630481	690053335	/nfs/dbraw/zinc/05/33/35/690053335.db2.gz	ZRLIWXZITSQOBW-AAEUAGOBSA-N	1	1	352.460	2.129	20	30		FEEDMO
CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1	ZINC000900609130	690538251	/nfs/dbraw/zinc/53/82/51/690538251.db2.gz	VPFCRSHGDDLOBZ-ZBFHGGJFSA-N	1	1	363.845	2.296	20	30		FEEDMO
CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1	ZINC000900609130	690538254	/nfs/dbraw/zinc/53/82/54/690538254.db2.gz	VPFCRSHGDDLOBZ-ZBFHGGJFSA-N	1	1	363.845	2.296	20	30		FEEDMO
C=CCOC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[O-]	ZINC000901808334	690696641	/nfs/dbraw/zinc/69/66/41/690696641.db2.gz	DVENRNBRICCMFB-GOSISDBHSA-N	1	1	350.434	2.078	20	30		FEEDMO
C[N@@H+](Cc1cn([C@@H]2CCN(c3sccc3C#N)C2=O)nn1)C(C)(C)C	ZINC000905786761	691174416	/nfs/dbraw/zinc/17/44/16/691174416.db2.gz	GIWSPXYEXDQMSU-CQSZACIVSA-N	1	1	358.471	2.420	20	30		FEEDMO
N#Cc1sccc1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000906397651	691263649	/nfs/dbraw/zinc/26/36/49/691263649.db2.gz	SBLUOBYYLXTMQQ-UHFFFAOYSA-N	1	1	361.389	2.347	20	30		FEEDMO
CN1CC[N@@H+](C)CC(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)C1	ZINC000906602587	691290550	/nfs/dbraw/zinc/29/05/50/691290550.db2.gz	DCPZSGUDUABTKI-CQSZACIVSA-N	1	1	355.269	2.168	20	30		FEEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1cc(C#N)c3ccccc3n1)CC2	ZINC001164689400	719739929	/nfs/dbraw/zinc/73/99/29/719739929.db2.gz	FJJPCBQZROBHPH-UHFFFAOYSA-N	1	1	363.465	2.287	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(C#N)ccc1[N+](=O)[O-])C2	ZINC001164813781	720114141	/nfs/dbraw/zinc/11/41/41/720114141.db2.gz	QNERGRFHZBKGRW-BEFAXECRSA-N	1	1	371.441	2.046	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc3c(C#N)c[nH]c3n1)C2	ZINC001164817384	720149122	/nfs/dbraw/zinc/14/91/22/720149122.db2.gz	PEENNPUCOXIHLD-JXFKEZNVSA-N	1	1	366.469	2.014	20	30		FEEDMO
Cc1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ncc1C#N	ZINC001164813536	720218387	/nfs/dbraw/zinc/21/83/87/720218387.db2.gz	NVUWOMSDXKLYNH-UHFFFAOYSA-N	1	1	366.469	2.069	20	30		FEEDMO
N#Cc1c2c(cnc1N1CC[C@H]3[C@H]1CCN3Cc1cccnc1)C[NH2+]CCC2	ZINC001164723633	720329950	/nfs/dbraw/zinc/32/99/50/720329950.db2.gz	IHKGSIHGOPRAMG-LEWJYISDSA-N	1	1	374.492	2.237	20	30		FEEDMO
COc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1C#N	ZINC001164897303	721510362	/nfs/dbraw/zinc/51/03/62/721510362.db2.gz	FRHFPGRRXUPYGE-AEFFLSMTSA-N	1	1	368.412	2.443	20	30		FEEDMO
Cc1ncc(C#N)c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164911911	721526341	/nfs/dbraw/zinc/52/63/41/721526341.db2.gz	XLWPCMKRCQUQPU-AEFFLSMTSA-N	1	1	353.401	2.138	20	30		FEEDMO
COc1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N	ZINC001164902679	721526696	/nfs/dbraw/zinc/52/66/96/721526696.db2.gz	AYTRJPIUEHYCPQ-WBVHZDCISA-N	1	1	368.412	2.443	20	30		FEEDMO
COc1cc(C#N)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1	ZINC001164906321	721537771	/nfs/dbraw/zinc/53/77/71/721537771.db2.gz	JSBLUBUGUMJVBG-APWZRJJASA-N	1	1	368.412	2.443	20	30		FEEDMO
C=CC[NH+]1CCN(c2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(=O)N3)CC1	ZINC001165031698	721867012	/nfs/dbraw/zinc/86/70/12/721867012.db2.gz	QSLOEBUTEHCBQR-QGZVFWFLSA-N	1	1	370.501	2.264	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)cc(Cl)c1C#N	ZINC001164932886	721887368	/nfs/dbraw/zinc/88/73/68/721887368.db2.gz	KEIMEBYVBHIQJO-ZIAGYGMSSA-N	1	1	354.285	2.475	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)cc(Cl)c1C#N	ZINC001164932886	721887369	/nfs/dbraw/zinc/88/73/69/721887369.db2.gz	KEIMEBYVBHIQJO-ZIAGYGMSSA-N	1	1	354.285	2.475	20	30		FEEDMO
N#Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c(F)c1	ZINC001164978924	722132246	/nfs/dbraw/zinc/13/22/46/722132246.db2.gz	LAWOJQJAGMRFRW-MJGOQNOKSA-N	1	1	367.428	2.215	20	30		FEEDMO
N#Cc1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(F)c1	ZINC001164978923	722132366	/nfs/dbraw/zinc/13/23/66/722132366.db2.gz	LAWOJQJAGMRFRW-IEBWSBKVSA-N	1	1	367.428	2.215	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21	ZINC000516053502	816605950	/nfs/dbraw/zinc/60/59/50/816605950.db2.gz	AYXOUYRRTXHBOD-JKSUJKDBSA-N	1	1	365.441	2.005	20	30		FEEDMO
N#Cc1ccc(NCC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc1	ZINC000497870439	887706673	/nfs/dbraw/zinc/70/66/73/887706673.db2.gz	WPRQEEUSOWKSHA-MRXNPFEDSA-N	1	1	369.494	2.455	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)cc1	ZINC000008337846	539484143	/nfs/dbraw/zinc/48/41/43/539484143.db2.gz	UNMVHQDGBCJIHJ-UHFFFAOYSA-N	1	1	368.422	2.498	20	30		FEEDMO
C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc(C#N)c2ccccc2n1	ZINC000528135365	539733895	/nfs/dbraw/zinc/73/38/95/539733895.db2.gz	WDIOUDFQPUEMEZ-HXUWFJFHSA-N	1	1	352.438	2.134	20	30		FEEDMO
C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc(C#N)c2ccccc2n1	ZINC000528135365	539733896	/nfs/dbraw/zinc/73/38/96/539733896.db2.gz	WDIOUDFQPUEMEZ-HXUWFJFHSA-N	1	1	352.438	2.134	20	30		FEEDMO
COc1ccc(NC(=O)NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000026325772	539783719	/nfs/dbraw/zinc/78/37/19/539783719.db2.gz	TWOMGOOZLLMITC-UHFFFAOYSA-N	1	1	352.394	2.347	20	30		FEEDMO
COc1ccc(NC(=O)NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000026325772	539783722	/nfs/dbraw/zinc/78/37/22/539783722.db2.gz	TWOMGOOZLLMITC-UHFFFAOYSA-N	1	1	352.394	2.347	20	30		FEEDMO
CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000076253057	542250832	/nfs/dbraw/zinc/25/08/32/542250832.db2.gz	NYPIZLHENHPYNB-UHFFFAOYSA-N	1	1	368.359	2.068	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000029780909	539864434	/nfs/dbraw/zinc/86/44/34/539864434.db2.gz	UTHIDLZSWGANJV-OWCLPIDISA-N	1	1	359.470	2.330	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000029780909	539864439	/nfs/dbraw/zinc/86/44/39/539864439.db2.gz	UTHIDLZSWGANJV-OWCLPIDISA-N	1	1	359.470	2.330	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000036659863	539992279	/nfs/dbraw/zinc/99/22/79/539992279.db2.gz	HESNGUUIEQWSRT-KRWDZBQOSA-N	1	1	371.481	2.477	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(OCC#N)c1)c1ccsc1	ZINC000041649748	540029797	/nfs/dbraw/zinc/02/97/97/540029797.db2.gz	PNVTVDZTTAKKSS-MRXNPFEDSA-N	1	1	372.450	2.008	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3ccccn3)CC2)cc1	ZINC000042993092	540085296	/nfs/dbraw/zinc/08/52/96/540085296.db2.gz	KHNGDJNXPQAQLL-UHFFFAOYSA-N	1	1	363.465	2.413	20	30		FEEDMO
CCC(CC)[C@@H](CNC(=O)COc1ccccc1C#N)[NH+]1CCOCC1	ZINC000043484129	540102183	/nfs/dbraw/zinc/10/21/83/540102183.db2.gz	JIRZAEXVKFBZCL-GOSISDBHSA-N	1	1	359.470	2.190	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)N(C)Cc1cccc(C#N)c1)[NH+]1CCOCC1	ZINC000045492489	540215248	/nfs/dbraw/zinc/21/52/48/540215248.db2.gz	FHEKXAJCZIDDMX-LJQANCHMSA-N	1	1	358.486	2.447	20	30		FEEDMO
C=C(C)CN(CC)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000045839719	540230371	/nfs/dbraw/zinc/23/03/71/540230371.db2.gz	IRTXNJSRHNALSS-UHFFFAOYSA-N	1	1	358.486	2.182	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(c2nnc3n2CCC3)CC1	ZINC000047258333	540298885	/nfs/dbraw/zinc/29/88/85/540298885.db2.gz	MYWMDQRXQJUSMS-AWEZNQCLSA-N	1	1	364.453	2.303	20	30		FEEDMO
N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1	ZINC000047106078	540290713	/nfs/dbraw/zinc/29/07/13/540290713.db2.gz	LXLTXSIMAPPNRE-VQTJNVASSA-N	1	1	367.497	2.012	20	30		FEEDMO
CCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000051060165	540421106	/nfs/dbraw/zinc/42/11/06/540421106.db2.gz	FFABCAPEPAOCIT-IRXDYDNUSA-N	1	1	362.518	2.346	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000052561394	540474101	/nfs/dbraw/zinc/47/41/01/540474101.db2.gz	BMNTXVUAJBHRSE-HNNXBMFYSA-N	1	1	356.470	2.019	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000052561394	540474104	/nfs/dbraw/zinc/47/41/04/540474104.db2.gz	BMNTXVUAJBHRSE-HNNXBMFYSA-N	1	1	356.470	2.019	20	30		FEEDMO
COCCOc1cccc(CNC(=O)C[N@H+](C)Cc2cccc(C#N)c2)c1	ZINC000052580485	540474682	/nfs/dbraw/zinc/47/46/82/540474682.db2.gz	AVDINLMWVVEEPF-UHFFFAOYSA-N	1	1	367.449	2.332	20	30		FEEDMO
COCCOc1cccc(CNC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)c1	ZINC000052580485	540474686	/nfs/dbraw/zinc/47/46/86/540474686.db2.gz	AVDINLMWVVEEPF-UHFFFAOYSA-N	1	1	367.449	2.332	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000054510218	540593782	/nfs/dbraw/zinc/59/37/82/540593782.db2.gz	BYXNEQRZHPNKDO-HXUWFJFHSA-N	1	1	369.513	2.117	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[N@H+]1CCC[C@@H](C)C1	ZINC000062121472	541145189	/nfs/dbraw/zinc/14/51/89/541145189.db2.gz	HRRRLWPMNGNYJJ-CHWSQXEVSA-N	1	1	362.861	2.387	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)N3CCCCC3)CC2)cc1	ZINC000063484389	541170456	/nfs/dbraw/zinc/17/04/56/541170456.db2.gz	VKIKMWKSYKSNFX-UHFFFAOYSA-N	1	1	369.469	2.110	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCCC)C1	ZINC000065353385	541234632	/nfs/dbraw/zinc/23/46/32/541234632.db2.gz	GQHQAGSQOYVVLX-RBUKOAKNSA-N	1	1	360.498	2.393	20	30		FEEDMO
COc1cccc(C[C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)CCC#N)c1	ZINC000065588968	541246832	/nfs/dbraw/zinc/24/68/32/541246832.db2.gz	XJHOMFKIEVOXBD-SFHVURJKSA-N	1	1	354.454	2.358	20	30		FEEDMO
C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437579	541318447	/nfs/dbraw/zinc/31/84/47/541318447.db2.gz	HLSHIJXAYTVFIA-CALCHBBNSA-N	1	1	355.486	2.255	20	30		FEEDMO
C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437579	541318449	/nfs/dbraw/zinc/31/84/49/541318449.db2.gz	HLSHIJXAYTVFIA-CALCHBBNSA-N	1	1	355.486	2.255	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1	ZINC000068335064	541578560	/nfs/dbraw/zinc/57/85/60/541578560.db2.gz	DMBOAIIOLICQJT-INIZCTEOSA-N	1	1	362.518	2.155	20	30		FEEDMO
CCN(CC)C(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000069682278	541703572	/nfs/dbraw/zinc/70/35/72/541703572.db2.gz	XCFKTUBMXKDARI-HNAYVOBHSA-N	1	1	350.507	2.010	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC1CCCCC1	ZINC000069860227	541719687	/nfs/dbraw/zinc/71/96/87/541719687.db2.gz	VEHVDQUQIUTEIT-UHFFFAOYSA-N	1	1	365.499	2.341	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1	ZINC000071956351	541777017	/nfs/dbraw/zinc/77/70/17/541777017.db2.gz	KLSCZKDRJSVYGF-UHFFFAOYSA-N	1	1	354.454	2.221	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1	ZINC000545197716	541899893	/nfs/dbraw/zinc/89/98/93/541899893.db2.gz	BZVGLDKYYGCOSK-MRXNPFEDSA-N	1	1	367.457	2.299	20	30		FEEDMO
COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2ccc(C#N)s2)cc1	ZINC000551199682	674130001	/nfs/dbraw/zinc/13/00/01/674130001.db2.gz	KBPHHGSEFKHVQY-HNNXBMFYSA-N	1	1	365.480	2.210	20	30		FEEDMO
C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C2	ZINC000073995655	542024140	/nfs/dbraw/zinc/02/41/40/542024140.db2.gz	BKAQXLAVQSIKEZ-PKOBYXMFSA-N	1	1	368.481	2.409	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H](O)COCc1ccccc1	ZINC000074289322	542064593	/nfs/dbraw/zinc/06/45/93/542064593.db2.gz	JGAFGQFKSILDDE-HXUWFJFHSA-N	1	1	367.449	2.396	20	30		FEEDMO
CC(C)OCC[NH+]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)CC1	ZINC000074389700	542077174	/nfs/dbraw/zinc/07/71/74/542077174.db2.gz	XDDKMMYZSDKTPS-VMPITWQZSA-N	1	1	357.454	2.171	20	30		FEEDMO
C[C@H](NC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1cccc(C#N)c1	ZINC000074917962	542136103	/nfs/dbraw/zinc/13/61/03/542136103.db2.gz	GARCSCLKRQCRTP-QFBILLFUSA-N	1	1	355.486	2.041	20	30		FEEDMO
CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1=O	ZINC000076152524	542238622	/nfs/dbraw/zinc/23/86/22/542238622.db2.gz	RYEYNDFWZOVNJM-IRXDYDNUSA-N	1	1	354.454	2.479	20	30		FEEDMO
CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1=O	ZINC000076152524	542238626	/nfs/dbraw/zinc/23/86/26/542238626.db2.gz	RYEYNDFWZOVNJM-IRXDYDNUSA-N	1	1	354.454	2.479	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1	ZINC000076394346	542272704	/nfs/dbraw/zinc/27/27/04/542272704.db2.gz	LOWMBLWRCAMPLF-AEFFLSMTSA-N	1	1	360.421	2.007	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1	ZINC000076394346	542272706	/nfs/dbraw/zinc/27/27/06/542272706.db2.gz	LOWMBLWRCAMPLF-AEFFLSMTSA-N	1	1	360.421	2.007	20	30		FEEDMO
N#CCOc1cccc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1	ZINC000078085863	542440507	/nfs/dbraw/zinc/44/05/07/542440507.db2.gz	JIQSUQNSQLSCAS-LJQANCHMSA-N	1	1	351.406	2.428	20	30		FEEDMO
N#CCOc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1	ZINC000078085863	542440510	/nfs/dbraw/zinc/44/05/10/542440510.db2.gz	JIQSUQNSQLSCAS-LJQANCHMSA-N	1	1	351.406	2.428	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(CC(=O)N2CCCC2)CC1	ZINC000078484448	542463809	/nfs/dbraw/zinc/46/38/09/542463809.db2.gz	WCMQMJVGFGTMDP-OXJNMPFZSA-N	1	1	362.518	2.154	20	30		FEEDMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N(C)C[C@H](C)C#N)cc2)CC1	ZINC000079856094	542544769	/nfs/dbraw/zinc/54/47/69/542544769.db2.gz	BCBPJOHYCIUHOA-MRXNPFEDSA-N	1	1	371.485	2.017	20	30		FEEDMO
Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)nc1	ZINC000080927315	542615803	/nfs/dbraw/zinc/61/58/03/542615803.db2.gz	HDQOONOZUISNGZ-UZLBHIALSA-N	1	1	371.485	2.095	20	30		FEEDMO
Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)nc1	ZINC000080927315	542615808	/nfs/dbraw/zinc/61/58/08/542615808.db2.gz	HDQOONOZUISNGZ-UZLBHIALSA-N	1	1	371.485	2.095	20	30		FEEDMO
CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	ZINC000081576029	542666199	/nfs/dbraw/zinc/66/61/99/542666199.db2.gz	LPUGMJRVGXXYFD-CYBMUJFWSA-N	1	1	373.501	2.344	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2nnc[nH]2)CC1	ZINC000083445174	542697316	/nfs/dbraw/zinc/69/73/16/542697316.db2.gz	IWALXEZUNJPVDR-AWEZNQCLSA-N	1	1	370.432	2.459	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)CC1	ZINC000084674407	542718883	/nfs/dbraw/zinc/71/88/83/542718883.db2.gz	UTFZJGDNTKVVOY-UHFFFAOYSA-N	1	1	350.484	2.329	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO	ZINC000085576578	542730215	/nfs/dbraw/zinc/73/02/15/542730215.db2.gz	AGBAAJIVODOZSQ-IAGOWNOFSA-N	1	1	372.469	2.410	20	30		FEEDMO
Cn1ncnc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000091186114	542797149	/nfs/dbraw/zinc/79/71/49/542797149.db2.gz	VYPRTJAIPBQYKB-SJORKVTESA-N	1	1	354.458	2.347	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1ccc(OC)cc1	ZINC000091540296	542811879	/nfs/dbraw/zinc/81/18/79/542811879.db2.gz	CIYYDJAGIFJQMD-FQEVSTJZSA-N	1	1	372.513	2.209	20	30		FEEDMO
COc1ccc(C[N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1C	ZINC000092618521	542875647	/nfs/dbraw/zinc/87/56/47/542875647.db2.gz	GQODDEUKDITIQD-LJQANCHMSA-N	1	1	372.513	2.128	20	30		FEEDMO
COc1ccc(C[N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1C	ZINC000092618521	542875648	/nfs/dbraw/zinc/87/56/48/542875648.db2.gz	GQODDEUKDITIQD-LJQANCHMSA-N	1	1	372.513	2.128	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](Oc2ccc(Cl)cn2)C1	ZINC000092806329	542888308	/nfs/dbraw/zinc/88/83/08/542888308.db2.gz	QPSDBRXLRWSIQP-OAHLLOKOSA-N	1	1	350.850	2.340	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1	ZINC000093014328	542901633	/nfs/dbraw/zinc/90/16/33/542901633.db2.gz	GPEDIHMMSIIKHG-QFBILLFUSA-N	1	1	357.454	2.191	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+](C[C@@H](O)c2c(F)cccc2F)CC1	ZINC000098136900	543022972	/nfs/dbraw/zinc/02/29/72/543022972.db2.gz	PELZLTVJNRTHET-QGZVFWFLSA-N	1	1	358.392	2.477	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@@H](O)c2c(F)cccc2F)CC1	ZINC000098136900	543022975	/nfs/dbraw/zinc/02/29/75/543022975.db2.gz	PELZLTVJNRTHET-QGZVFWFLSA-N	1	1	358.392	2.477	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000101911350	543049760	/nfs/dbraw/zinc/04/97/60/543049760.db2.gz	NEQJESUFGWZNLM-CQSZACIVSA-N	1	1	362.499	2.433	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000102962936	543086748	/nfs/dbraw/zinc/08/67/48/543086748.db2.gz	BAPZZOSFWAHQEP-CQSZACIVSA-N	1	1	360.433	2.264	20	30		FEEDMO
COCC[N@@H+](C)CC[C@H](NC(=O)C1(C#N)CCOCC1)c1ccccc1	ZINC000109142588	543315712	/nfs/dbraw/zinc/31/57/12/543315712.db2.gz	CNZDGKLPTSHJEH-SFHVURJKSA-N	1	1	359.470	2.133	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(NC(=O)C3(C#N)CCOCC3)cc2)CC1	ZINC000109139872	543315853	/nfs/dbraw/zinc/31/58/53/543315853.db2.gz	HIIKTCBCDRFNHW-UHFFFAOYSA-N	1	1	356.470	2.083	20	30		FEEDMO
CC(C)(O)C[NH+]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000109161495	543316030	/nfs/dbraw/zinc/31/60/30/543316030.db2.gz	NSGJRZSKVSKXCM-UHFFFAOYSA-N	1	1	368.384	2.080	20	30		FEEDMO
Cc1nn(C)c(C)c1C[NH+]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1	ZINC000110563587	543361308	/nfs/dbraw/zinc/36/13/08/543361308.db2.gz	QFGFLWSZRVSIAP-UHFFFAOYSA-N	1	1	354.414	2.139	20	30		FEEDMO
C#CCOc1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)nc2)cc1	ZINC000113319340	543484052	/nfs/dbraw/zinc/48/40/52/543484052.db2.gz	JPMUBTHQNCZAEX-UHFFFAOYSA-N	1	1	350.466	2.135	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)COc2ccc(C#N)cc2)[C@H](C)C1	ZINC000115273280	543557806	/nfs/dbraw/zinc/55/78/06/543557806.db2.gz	QJKXXGJCCUDWOT-VQIMIIECSA-N	1	1	359.470	2.190	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccsc3)CC2)cc1	ZINC000115300501	543558910	/nfs/dbraw/zinc/55/89/10/543558910.db2.gz	HTRHRYCDAHVPRH-SFHVURJKSA-N	1	1	357.479	2.177	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccc(C#N)nc3)cc2)C[C@H](C)O1	ZINC000115331231	543559963	/nfs/dbraw/zinc/55/99/63/543559963.db2.gz	YBOCZLDDVSNPAU-IYBDPMFKSA-N	1	1	364.449	2.492	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N)C1CC1	ZINC000118121072	543646820	/nfs/dbraw/zinc/64/68/20/543646820.db2.gz	MENVICXKLORXBN-CQSZACIVSA-N	1	1	374.510	2.477	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)CN2CC[C@H](N3CC[NH+](CC)CC3)C2)c1C	ZINC000118835150	543660137	/nfs/dbraw/zinc/66/01/37/543660137.db2.gz	DORNLSIFJXRLPM-IBGZPJMESA-N	1	1	358.530	2.185	20	30		FEEDMO
C[C@@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)c1ccc(C#N)cc1	ZINC000120075541	543675405	/nfs/dbraw/zinc/67/54/05/543675405.db2.gz	SCVRTPSFIBNPGI-CYBMUJFWSA-N	1	1	358.405	2.304	20	30		FEEDMO
C=CCOc1ccc(C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)cc1	ZINC000124344316	543815901	/nfs/dbraw/zinc/81/59/01/543815901.db2.gz	XFPFRBRSJGWWHK-UHFFFAOYSA-N	1	1	364.453	2.250	20	30		FEEDMO
CCOC(=O)CC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000125098480	543860927	/nfs/dbraw/zinc/86/09/27/543860927.db2.gz	KYCIEXHKLRZDPJ-GOSISDBHSA-N	1	1	355.438	2.329	20	30		FEEDMO
C=CCC[C@@H](O)C[N@@H+]1CCCN(C(=O)CCc2ccc(OC)cc2)CC1	ZINC000126209163	543923949	/nfs/dbraw/zinc/92/39/49/543923949.db2.gz	IHXFQCUYNSNNSQ-LJQANCHMSA-N	1	1	360.498	2.489	20	30		FEEDMO
O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000126552856	543942624	/nfs/dbraw/zinc/94/26/24/543942624.db2.gz	NDUINDVUACONTL-WMZOPIPTSA-N	1	1	352.434	2.242	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000128002640	544026674	/nfs/dbraw/zinc/02/66/74/544026674.db2.gz	BPGQAXWQTXMANQ-SJLPKXTDSA-N	1	1	359.470	2.285	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1	ZINC000127306324	543984783	/nfs/dbraw/zinc/98/47/83/543984783.db2.gz	NLWUBJQIBDBWTC-UHFFFAOYSA-N	1	1	353.510	2.109	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1	ZINC000128216305	544039547	/nfs/dbraw/zinc/03/95/47/544039547.db2.gz	LVWKSQNSOSAIKD-QAPCUYQASA-N	1	1	355.463	2.500	20	30		FEEDMO
COCC[N@@H+]1[C@H](C)CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1C	ZINC000129712948	544124640	/nfs/dbraw/zinc/12/46/40/544124640.db2.gz	RAXBEVFFQNKHBU-GASCZTMLSA-N	1	1	355.442	2.149	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000130260118	544144331	/nfs/dbraw/zinc/14/43/31/544144331.db2.gz	WZERZAXHZRQZJR-UHFFFAOYSA-N	1	1	372.513	2.250	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1	ZINC000139914665	544405662	/nfs/dbraw/zinc/40/56/62/544405662.db2.gz	GDQONEHQXMLSNV-QGZVFWFLSA-N	1	1	359.539	2.422	20	30		FEEDMO
C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCCC(=O)Nc1ccccc1C#N	ZINC000151974302	544602815	/nfs/dbraw/zinc/60/28/15/544602815.db2.gz	FYABDARGMGFWDN-YJBOKZPZSA-N	1	1	356.470	2.466	20	30		FEEDMO
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[C@@H]1C[N@H+](C)CCO1	ZINC000152653759	544679502	/nfs/dbraw/zinc/67/95/02/544679502.db2.gz	XAVZCAFAYMQFGR-KANFNMMFSA-N	1	1	356.470	2.187	20	30		FEEDMO
C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[C@@H]1C[N@@H+](C)CCO1	ZINC000152653759	544679505	/nfs/dbraw/zinc/67/95/05/544679505.db2.gz	XAVZCAFAYMQFGR-KANFNMMFSA-N	1	1	356.470	2.187	20	30		FEEDMO
C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccc(F)cc1	ZINC000153283150	544756316	/nfs/dbraw/zinc/75/63/16/544756316.db2.gz	ALNWEWLUHWRWEY-STQMWFEESA-N	1	1	372.448	2.133	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000153178049	544743094	/nfs/dbraw/zinc/74/30/94/544743094.db2.gz	QTMPOJPIHSHRGV-KXBFYZLASA-N	1	1	362.433	2.133	20	30		FEEDMO
Cn1cc(C(=O)NCC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)cn1	ZINC000154882780	544961692	/nfs/dbraw/zinc/96/16/92/544961692.db2.gz	LZPVTMPEEIGWKJ-UHFFFAOYSA-N	1	1	355.417	2.073	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1nccc(C#N)c1Cl	ZINC000553428705	674261186	/nfs/dbraw/zinc/26/11/86/674261186.db2.gz	CXUDQUCKILYQOO-CQSZACIVSA-N	1	1	356.861	2.624	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)CC1(C#N)CCCC1)c1ccc(F)cc1	ZINC000553547927	674269978	/nfs/dbraw/zinc/26/99/78/674269978.db2.gz	RVVKEFVAEUCNRW-INIZCTEOSA-N	1	1	353.463	2.432	20	30		FEEDMO
COC(=O)COc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)cc1	ZINC000187730254	328042424	/nfs/dbraw/zinc/04/24/24/328042424.db2.gz	WGWOVXHWEITJSL-LJQANCHMSA-N	1	1	354.406	2.275	20	30		FEEDMO
COC(=O)COc1ccc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)cc1	ZINC000187730228	328042433	/nfs/dbraw/zinc/04/24/33/328042433.db2.gz	WGWOVXHWEITJSL-IBGZPJMESA-N	1	1	354.406	2.275	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC1(O)CCOCC1	ZINC000189754839	328166148	/nfs/dbraw/zinc/16/61/48/328166148.db2.gz	ILYKAHKHDKAMKT-UHFFFAOYSA-N	1	1	351.834	2.014	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[NH+]3CCC2CC3)cc1C(F)(F)F	ZINC000191094014	328249757	/nfs/dbraw/zinc/24/97/57/328249757.db2.gz	MXGLUDSQOMYDJT-UHFFFAOYSA-N	1	1	359.373	2.046	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1C#N	ZINC000191277635	328257823	/nfs/dbraw/zinc/25/78/23/328257823.db2.gz	ROWKMOTWJHLYGN-UHFFFAOYSA-N	1	1	354.429	2.313	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1C#N	ZINC000191277635	328257824	/nfs/dbraw/zinc/25/78/24/328257824.db2.gz	ROWKMOTWJHLYGN-UHFFFAOYSA-N	1	1	354.429	2.313	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000192982279	328350455	/nfs/dbraw/zinc/35/04/55/328350455.db2.gz	OLDHWGDUOBKWJU-GOSISDBHSA-N	1	1	355.463	2.359	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1Cl	ZINC000076190622	324922025	/nfs/dbraw/zinc/92/20/25/324922025.db2.gz	IULFKHPOYJQGBU-UHFFFAOYSA-N	1	1	353.875	2.461	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3cc(C#N)cs3)c2)CC1	ZINC000084135088	325228575	/nfs/dbraw/zinc/22/85/75/325228575.db2.gz	MORWXYWKGYQPCF-UHFFFAOYSA-N	1	1	368.462	2.189	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1	ZINC000119014835	326118108	/nfs/dbraw/zinc/11/81/08/326118108.db2.gz	FTAHTDXMWJSXER-ZDUSSCGKSA-N	1	1	358.833	2.154	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](Cn2ccnn2)C1	ZINC000119014835	326118109	/nfs/dbraw/zinc/11/81/09/326118109.db2.gz	FTAHTDXMWJSXER-ZDUSSCGKSA-N	1	1	358.833	2.154	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cn1	ZINC000132319059	326590552	/nfs/dbraw/zinc/59/05/52/326590552.db2.gz	FFUCEVKYLWJXIC-UHFFFAOYSA-N	1	1	356.451	2.392	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccccc1C#N	ZINC000162329114	327022756	/nfs/dbraw/zinc/02/27/56/327022756.db2.gz	JCGOZZXGFBFPEN-YJBOKZPZSA-N	1	1	355.463	2.357	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1	ZINC000171086378	327116835	/nfs/dbraw/zinc/11/68/35/327116835.db2.gz	JEKHDVIJBAUPHX-SFHVURJKSA-N	1	1	370.478	2.286	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1	ZINC000171086378	327116836	/nfs/dbraw/zinc/11/68/36/327116836.db2.gz	JEKHDVIJBAUPHX-SFHVURJKSA-N	1	1	370.478	2.286	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000172154469	327184354	/nfs/dbraw/zinc/18/43/54/327184354.db2.gz	WYSOLNXBVQHSMR-SFHVURJKSA-N	1	1	370.501	2.049	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC[N@H+]1C[C@@H](C)O	ZINC000173270672	327245614	/nfs/dbraw/zinc/24/56/14/327245614.db2.gz	HNVKJQFKJLXBJP-ZBFHGGJFSA-N	1	1	361.490	2.424	20	30		FEEDMO
COCCN1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000173644209	327273322	/nfs/dbraw/zinc/27/33/22/327273322.db2.gz	PEVAYABZSJCHTC-ZDUSSCGKSA-N	1	1	364.877	2.239	20	30		FEEDMO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[N@H+](C)CCO1	ZINC000174612685	327338496	/nfs/dbraw/zinc/33/84/96/327338496.db2.gz	OFJBJHNAIWZKSU-QGZVFWFLSA-N	1	1	352.394	2.323	20	30		FEEDMO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1C[N@@H+](C)CCO1	ZINC000174612685	327338497	/nfs/dbraw/zinc/33/84/97/327338497.db2.gz	OFJBJHNAIWZKSU-QGZVFWFLSA-N	1	1	352.394	2.323	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1C#N	ZINC000174782047	327350949	/nfs/dbraw/zinc/35/09/49/327350949.db2.gz	UKGHVYSEXLHOAA-AWEZNQCLSA-N	1	1	356.470	2.432	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C(C)C	ZINC000175017320	327368405	/nfs/dbraw/zinc/36/84/05/327368405.db2.gz	FLHDEUFRTCECKI-DLBZAZTESA-N	1	1	357.454	2.419	20	30		FEEDMO
N#Cc1ccc(OC(F)F)c(NC(=O)NCC[NH+]2CCSCC2)c1	ZINC000264897881	329072516	/nfs/dbraw/zinc/07/25/16/329072516.db2.gz	UFLYUTKBZZIZCH-UHFFFAOYSA-N	1	1	356.398	2.330	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]cc3Cl)CC2)cc1	ZINC000267321882	329314478	/nfs/dbraw/zinc/31/44/78/329314478.db2.gz	AAIQDGSEOHYAJY-UHFFFAOYSA-N	1	1	362.842	2.118	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1	ZINC000271105785	329662975	/nfs/dbraw/zinc/66/29/75/329662975.db2.gz	AIYKPKOPOLAGBY-UHFFFAOYSA-N	1	1	368.441	2.148	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC[C@H]21	ZINC000286427318	330184438	/nfs/dbraw/zinc/18/44/38/330184438.db2.gz	BLXVYNDVRREOCB-ZHALLVOQSA-N	1	1	370.472	2.466	20	30		FEEDMO
COc1cc(OC)c2ncc(C#N)c(N3CC[NH+]([C@H]4CCOC4)CC3)c2c1	ZINC000367260669	330237537	/nfs/dbraw/zinc/23/75/37/330237537.db2.gz	QXIMEOCLYRLHSJ-HNNXBMFYSA-N	1	1	368.437	2.035	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1	ZINC000371456144	330243691	/nfs/dbraw/zinc/24/36/91/330243691.db2.gz	FSMFZMWSQUKCNF-ROUUACIJSA-N	1	1	370.453	2.267	20	30		FEEDMO
C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000416706000	330262515	/nfs/dbraw/zinc/26/25/15/330262515.db2.gz	MHGULFMDNDYAGV-OXJNMPFZSA-N	1	1	369.513	2.261	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1F	ZINC000805074390	674317167	/nfs/dbraw/zinc/31/71/67/674317167.db2.gz	JIQVQNXJSZTKQV-CPUCHLNUSA-N	1	1	365.836	2.316	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-n2cccn2)cc1	ZINC000155510275	545535688	/nfs/dbraw/zinc/53/56/88/545535688.db2.gz	KFLWGPSOGFPHGG-INIZCTEOSA-N	1	1	359.437	2.245	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-n2cccn2)cc1	ZINC000155510275	545535690	/nfs/dbraw/zinc/53/56/90/545535690.db2.gz	KFLWGPSOGFPHGG-INIZCTEOSA-N	1	1	359.437	2.245	20	30		FEEDMO
Cc1ccc(N2CCC(NC(=O)COc3ccc(C#N)cc3)CC2)[nH+]c1	ZINC000157812700	545787059	/nfs/dbraw/zinc/78/70/59/545787059.db2.gz	SGZRXRHVUUOWIQ-UHFFFAOYSA-N	1	1	350.422	2.426	20	30		FEEDMO
C=CCN(CCOC)C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1	ZINC000478781127	561174614	/nfs/dbraw/zinc/17/46/14/561174614.db2.gz	CSDXJCMDMRRAFA-UHFFFAOYSA-N	1	1	374.529	2.168	20	30		FEEDMO
C[NH+]1CCN([C@H](C(=O)N[C@H](C#N)c2ccccc2F)c2ccccc2)CC1	ZINC000161288325	546117059	/nfs/dbraw/zinc/11/70/59/546117059.db2.gz	VKKGEWKENGSABP-UXHICEINSA-N	1	1	366.440	2.495	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])CC1	ZINC000171536552	546213159	/nfs/dbraw/zinc/21/31/59/546213159.db2.gz	CNZRGEFQJOCBBW-UHFFFAOYSA-N	1	1	353.444	2.140	20	30		FEEDMO
C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C2	ZINC000173223561	546275901	/nfs/dbraw/zinc/27/59/01/546275901.db2.gz	ZPJYPYQJIWYJKD-DLBZAZTESA-N	1	1	354.454	2.121	20	30		FEEDMO
N#CCCn1ccc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1	ZINC000173698740	546285703	/nfs/dbraw/zinc/28/57/03/546285703.db2.gz	JVOWSHOKIYJSAC-QGZVFWFLSA-N	1	1	353.426	2.026	20	30		FEEDMO
N#CCCn1ccc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1	ZINC000173698740	546285706	/nfs/dbraw/zinc/28/57/06/546285706.db2.gz	JVOWSHOKIYJSAC-QGZVFWFLSA-N	1	1	353.426	2.026	20	30		FEEDMO
COc1ccc(N2CC[NH+](CCCNCc3ccc(C#N)o3)CC2)cc1	ZINC000174248934	546293976	/nfs/dbraw/zinc/29/39/76/546293976.db2.gz	QJBNOBMQSYOJOQ-UHFFFAOYSA-N	1	1	354.454	2.462	20	30		FEEDMO
CNC(=O)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000175013803	546305886	/nfs/dbraw/zinc/30/58/86/546305886.db2.gz	FRGHPKZLPJJURC-MRXNPFEDSA-N	1	1	356.470	2.170	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@H](C)CN1CC[NH+](CC)CC1	ZINC000175619692	546320789	/nfs/dbraw/zinc/32/07/89/546320789.db2.gz	MCDLDQLZFNQPSQ-INIZCTEOSA-N	1	1	373.501	2.352	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000176898892	546504214	/nfs/dbraw/zinc/50/42/14/546504214.db2.gz	OECCIIOYFBSDKX-KRWDZBQOSA-N	1	1	356.470	2.369	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000480695018	561214606	/nfs/dbraw/zinc/21/46/06/561214606.db2.gz	IQTANEQSSIIOLP-KGLIPLIRSA-N	1	1	353.463	2.237	20	30		FEEDMO
C[C@@H]1CN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@H]1[NH+]1CCOCC1	ZINC000177233711	546575756	/nfs/dbraw/zinc/57/57/56/546575756.db2.gz	AUGKNCSAQFTPTD-GDBMZVCRSA-N	1	1	359.474	2.299	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)Cc1ccc(C#N)cc1F)Cc1ccccc1	ZINC000481072966	561224485	/nfs/dbraw/zinc/22/44/85/561224485.db2.gz	PKPPPQXJBVGFEO-UHFFFAOYSA-N	1	1	361.442	2.249	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)Cc1ccc(C#N)cc1F)Cc1ccccc1	ZINC000481072966	561224486	/nfs/dbraw/zinc/22/44/86/561224486.db2.gz	PKPPPQXJBVGFEO-UHFFFAOYSA-N	1	1	361.442	2.249	20	30		FEEDMO
COC(=O)COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1	ZINC000481138580	561226013	/nfs/dbraw/zinc/22/60/13/561226013.db2.gz	LRAQZSHOJDJAJH-UHFFFAOYSA-N	1	1	367.405	2.181	20	30		FEEDMO
COC(=O)COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)cc1	ZINC000481138580	561226014	/nfs/dbraw/zinc/22/60/14/561226014.db2.gz	LRAQZSHOJDJAJH-UHFFFAOYSA-N	1	1	367.405	2.181	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C	ZINC000178507376	546805147	/nfs/dbraw/zinc/80/51/47/546805147.db2.gz	FDZDBXPAMUENFS-SJORKVTESA-N	1	1	354.454	2.279	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)CC1	ZINC000178537649	546809712	/nfs/dbraw/zinc/80/97/12/546809712.db2.gz	FGIONTPDLMKJGE-UHFFFAOYSA-N	1	1	372.874	2.055	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1	ZINC000178886749	546867557	/nfs/dbraw/zinc/86/75/57/546867557.db2.gz	QFCUQBWATMKCQG-UHFFFAOYSA-N	1	1	367.453	2.487	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000178909254	546872527	/nfs/dbraw/zinc/87/25/27/546872527.db2.gz	BUUHHGDVWQANGP-QFBILLFUSA-N	1	1	366.465	2.281	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000481880097	561244589	/nfs/dbraw/zinc/24/45/89/561244589.db2.gz	SKPLIKPQOLOJFB-SJORKVTESA-N	1	1	373.497	2.104	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000180414787	547105333	/nfs/dbraw/zinc/10/53/33/547105333.db2.gz	UUMMTTZARKIJRD-KGLIPLIRSA-N	1	1	372.444	2.405	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2cccnc2)CC1	ZINC000180469755	547113127	/nfs/dbraw/zinc/11/31/27/547113127.db2.gz	LWTHHZJXPIDMRN-OAQYLSRUSA-N	1	1	367.493	2.368	20	30		FEEDMO
CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000180630329	547145683	/nfs/dbraw/zinc/14/56/83/547145683.db2.gz	VEKMOIGNDOADTD-FQEVSTJZSA-N	1	1	370.497	2.143	20	30		FEEDMO
CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000180630329	547145689	/nfs/dbraw/zinc/14/56/89/547145689.db2.gz	VEKMOIGNDOADTD-FQEVSTJZSA-N	1	1	370.497	2.143	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)C2)c(Br)c1	ZINC000181120983	547254418	/nfs/dbraw/zinc/25/44/18/547254418.db2.gz	VUIDMZRWPKMZPK-HNNXBMFYSA-N	1	1	350.260	2.227	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@H](N3CCOCC3)C2)c(Br)c1	ZINC000181120983	547254424	/nfs/dbraw/zinc/25/44/24/547254424.db2.gz	VUIDMZRWPKMZPK-HNNXBMFYSA-N	1	1	350.260	2.227	20	30		FEEDMO
Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1C#N	ZINC000483277006	561272820	/nfs/dbraw/zinc/27/28/20/561272820.db2.gz	BYZZORIADWPXSE-HXUWFJFHSA-N	1	1	371.485	2.228	20	30		FEEDMO
Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1C#N	ZINC000483277006	561272821	/nfs/dbraw/zinc/27/28/21/561272821.db2.gz	BYZZORIADWPXSE-HXUWFJFHSA-N	1	1	371.485	2.228	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1	ZINC000483369676	561275049	/nfs/dbraw/zinc/27/50/49/561275049.db2.gz	DWBWIURBXNSWTN-QFUCXCTJSA-N	1	1	361.482	2.425	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)no1	ZINC000483963992	561288059	/nfs/dbraw/zinc/28/80/59/561288059.db2.gz	VDFMLBCRZQRMCZ-INIZCTEOSA-N	1	1	371.416	2.266	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)no1	ZINC000483963992	561288060	/nfs/dbraw/zinc/28/80/60/561288060.db2.gz	VDFMLBCRZQRMCZ-INIZCTEOSA-N	1	1	371.416	2.266	20	30		FEEDMO
COCCOC[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182814596	547555720	/nfs/dbraw/zinc/55/57/20/547555720.db2.gz	IQRAJTQMQLLJCZ-IEBWSBKVSA-N	1	1	357.454	2.039	20	30		FEEDMO
CC1([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)OCCO1	ZINC000183862250	547730758	/nfs/dbraw/zinc/73/07/58/547730758.db2.gz	JFSACJMJNWUBPO-HUUCEWRRSA-N	1	1	361.467	2.200	20	30		FEEDMO
CC1([C@@H]2CCC[N@H+]([C@@H]3CCN(c4sccc4C#N)C3=O)C2)OCCO1	ZINC000183862250	547730762	/nfs/dbraw/zinc/73/07/62/547730762.db2.gz	JFSACJMJNWUBPO-HUUCEWRRSA-N	1	1	361.467	2.200	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCOCC2(CCOCC2)C1)c1ccccc1	ZINC000184079768	547766641	/nfs/dbraw/zinc/76/66/41/547766641.db2.gz	IXKWAMKZXONWIE-UHFFFAOYSA-N	1	1	357.454	2.062	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCOCC2(CCOCC2)C1)c1ccccc1	ZINC000184079768	547766646	/nfs/dbraw/zinc/76/66/46/547766646.db2.gz	IXKWAMKZXONWIE-UHFFFAOYSA-N	1	1	357.454	2.062	20	30		FEEDMO
Cn1cc([C@H]2CSCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)cn1	ZINC000484791295	561306117	/nfs/dbraw/zinc/30/61/17/561306117.db2.gz	BPQNPYFGHADQQZ-QGZVFWFLSA-N	1	1	355.467	2.410	20	30		FEEDMO
Cn1cc([C@H]2CSCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)cn1	ZINC000484791295	561306118	/nfs/dbraw/zinc/30/61/18/561306118.db2.gz	BPQNPYFGHADQQZ-QGZVFWFLSA-N	1	1	355.467	2.410	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184625660	547856527	/nfs/dbraw/zinc/85/65/27/547856527.db2.gz	AFRJTQARRBBXPR-HNNXBMFYSA-N	1	1	367.457	2.335	20	30		FEEDMO
C=CCSc1ccccc1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000485463144	561319681	/nfs/dbraw/zinc/31/96/81/561319681.db2.gz	GZZVBCFONUPBOZ-HNNXBMFYSA-N	1	1	361.511	2.282	20	30		FEEDMO
C[C@@H](C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1	ZINC000186270010	548110519	/nfs/dbraw/zinc/11/05/19/548110519.db2.gz	PJUAJEWQVNLMCP-XHDPSFHLSA-N	1	1	355.269	2.310	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(C)(CO)CC1	ZINC000186892756	548214046	/nfs/dbraw/zinc/21/40/46/548214046.db2.gz	SDEOUUXPGPPBDE-MRXNPFEDSA-N	1	1	359.470	2.425	20	30		FEEDMO
C=C(C)[C@H]([NH2+]CC(=O)N(C)CC(=O)NCCC)c1ccc(F)c(F)c1	ZINC000187786538	548263943	/nfs/dbraw/zinc/26/39/43/548263943.db2.gz	OZYWVVLZEHFQDF-SFHVURJKSA-N	1	1	353.413	2.156	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1	ZINC000189162208	548298137	/nfs/dbraw/zinc/29/81/37/548298137.db2.gz	DQIPLTMJUMBTQM-HZPDHXFCSA-N	1	1	372.469	2.026	20	30		FEEDMO
COCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000189659405	548307173	/nfs/dbraw/zinc/30/71/73/548307173.db2.gz	LZYRYQFDOCYBPO-VIHIWDAPSA-N	1	1	351.491	2.043	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)C[N@H+](C)CC1(O)CCOCC1	ZINC000189761448	548311566	/nfs/dbraw/zinc/31/15/66/548311566.db2.gz	FBINXGAXERNBHY-UHFFFAOYSA-N	1	1	350.484	2.377	20	30		FEEDMO
C=CCN(CC=C)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000194447076	548483358	/nfs/dbraw/zinc/48/33/58/548483358.db2.gz	XXIPEGHXOMLZAV-UHFFFAOYSA-N	1	1	372.469	2.289	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccc1OCC#N	ZINC000195093840	548576325	/nfs/dbraw/zinc/57/63/25/548576325.db2.gz	AFILKEVAQBUMSL-JKNJVXJCSA-N	1	1	355.438	2.307	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000245583214	548951518	/nfs/dbraw/zinc/95/15/18/548951518.db2.gz	DDMFEKWVWDWQCO-ALKREAHSSA-N	1	1	366.465	2.361	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000245583214	548951521	/nfs/dbraw/zinc/95/15/21/548951521.db2.gz	DDMFEKWVWDWQCO-ALKREAHSSA-N	1	1	366.465	2.361	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@H]1C	ZINC000245858531	549004843	/nfs/dbraw/zinc/00/48/43/549004843.db2.gz	HLLOZHPIVFFRJQ-ZACQAIPSSA-N	1	1	360.527	2.435	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000246172970	549068719	/nfs/dbraw/zinc/06/87/19/549068719.db2.gz	FUGRKASNJJSLIM-STQMWFEESA-N	1	1	362.861	2.387	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](CO)[C@@H]2C)c1C#N	ZINC000488719741	561395180	/nfs/dbraw/zinc/39/51/80/561395180.db2.gz	OTAHGAKLWJQTLU-HOTGVXAUSA-N	1	1	370.453	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@@H]2C)c1C#N	ZINC000488719741	561395181	/nfs/dbraw/zinc/39/51/81/561395181.db2.gz	OTAHGAKLWJQTLU-HOTGVXAUSA-N	1	1	370.453	2.259	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000247150873	549291874	/nfs/dbraw/zinc/29/18/74/549291874.db2.gz	YNMKKMVGSXCYPG-ZWKOTPCHSA-N	1	1	373.497	2.172	20	30		FEEDMO
C[C@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)[N@H+]1CCC[C@@H](C)C1	ZINC000248393382	549426819	/nfs/dbraw/zinc/42/68/19/549426819.db2.gz	LPXCNJZAQVVRME-HUUCEWRRSA-N	1	1	367.457	2.381	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)CC1(C#N)CC1	ZINC000248633607	549472549	/nfs/dbraw/zinc/47/25/49/549472549.db2.gz	IYKHRSCMNBZQKQ-VQFNDLOPSA-N	1	1	361.511	2.366	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000248691965	549485513	/nfs/dbraw/zinc/48/55/13/549485513.db2.gz	ZCLOGPYCKKKTMX-CABCVRRESA-N	1	1	373.501	2.290	20	30		FEEDMO
C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000489473864	561412340	/nfs/dbraw/zinc/41/23/40/561412340.db2.gz	JWGHXSVLLJFGII-IRXDYDNUSA-N	1	1	358.511	2.497	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cccc(C#N)c1	ZINC000248734943	549492690	/nfs/dbraw/zinc/49/26/90/549492690.db2.gz	DNPFHZXHBFJMIP-HNAYVOBHSA-N	1	1	355.463	2.357	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1C	ZINC000249049894	549542576	/nfs/dbraw/zinc/54/25/76/549542576.db2.gz	HYWSVIDBJNFLGA-LUJDSPJVSA-N	1	1	363.502	2.437	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@H]1C	ZINC000249049894	549542579	/nfs/dbraw/zinc/54/25/79/549542579.db2.gz	HYWSVIDBJNFLGA-LUJDSPJVSA-N	1	1	363.502	2.437	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)[C@@H](C)C1	ZINC000249145279	549560894	/nfs/dbraw/zinc/56/08/94/549560894.db2.gz	GETBNAQNIWWEIX-UXLLHSPISA-N	1	1	372.469	2.105	20	30		FEEDMO
COc1cccc(C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]2CCCO2)c1	ZINC000249743578	549623847	/nfs/dbraw/zinc/62/38/47/549623847.db2.gz	KQHOTRDOVHNWSO-TZIWHRDSSA-N	1	1	371.481	2.485	20	30		FEEDMO
COc1cccc(C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C[C@H]2CCCO2)c1	ZINC000249743578	549623849	/nfs/dbraw/zinc/62/38/49/549623849.db2.gz	KQHOTRDOVHNWSO-TZIWHRDSSA-N	1	1	371.481	2.485	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1	ZINC000261649700	549738869	/nfs/dbraw/zinc/73/88/69/549738869.db2.gz	HFJIXPWZFFWHLM-QGZVFWFLSA-N	1	1	359.426	2.341	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](CC)[C@H](N2CCOCC2)C1	ZINC000490415571	561432610	/nfs/dbraw/zinc/43/26/10/561432610.db2.gz	KGNCRKPHAGZDPA-HMXCVIKNSA-N	1	1	374.525	2.197	20	30		FEEDMO
CS(=O)(=O)N1CC[N@H+](CCOc2ccccc2C#N)Cc2ccccc21	ZINC000490645688	561436580	/nfs/dbraw/zinc/43/65/80/561436580.db2.gz	CBRPOLQDKIGFJL-UHFFFAOYSA-N	1	1	371.462	2.219	20	30		FEEDMO
CS(=O)(=O)N1CC[N@@H+](CCOc2ccccc2C#N)Cc2ccccc21	ZINC000490645688	561436581	/nfs/dbraw/zinc/43/65/81/561436581.db2.gz	CBRPOLQDKIGFJL-UHFFFAOYSA-N	1	1	371.462	2.219	20	30		FEEDMO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@H+](C)C1CCCC1	ZINC000264199531	549991742	/nfs/dbraw/zinc/99/17/42/549991742.db2.gz	QPPLFMHQAWTPIG-UHFFFAOYSA-N	1	1	368.485	2.141	20	30		FEEDMO
CC(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H](O)c1ccc(F)cc1	ZINC000265452376	550009963	/nfs/dbraw/zinc/00/99/63/550009963.db2.gz	UJMLNDHOQGXALN-LJQANCHMSA-N	1	1	374.460	2.473	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)no1	ZINC000266084791	550016753	/nfs/dbraw/zinc/01/67/53/550016753.db2.gz	GURMUEAZKPEJDY-KRWDZBQOSA-N	1	1	353.426	2.127	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)CN2CC[C@@H](C[N@H+](C)CC)C2)c(OC)c1	ZINC000266642813	550022625	/nfs/dbraw/zinc/02/26/25/550022625.db2.gz	UZHGNWOWFILPEC-OALUTQOASA-N	1	1	362.514	2.437	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC1	ZINC000266800941	550023813	/nfs/dbraw/zinc/02/38/13/550023813.db2.gz	FFTAYADVBZIAMZ-UHFFFAOYSA-N	1	1	372.856	2.490	20	30		FEEDMO
CO[C@@H](C)c1noc(CO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C)n1	ZINC000266992914	550026566	/nfs/dbraw/zinc/02/65/66/550026566.db2.gz	BZEPKHVGWSOFEE-QWRGUYRKSA-N	1	1	371.438	2.069	20	30		FEEDMO
COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)CCCSCC#N)C2=O)c1	ZINC000267108700	550027872	/nfs/dbraw/zinc/02/78/72/550027872.db2.gz	WVFRSYNDSQLEJY-KRWDZBQOSA-N	1	1	363.483	2.388	20	30		FEEDMO
CN(C)c1ccc(C[N@@H+](CC(=O)N(CCC#N)CCC#N)C2CC2)cc1	ZINC000268323669	550049516	/nfs/dbraw/zinc/04/95/16/550049516.db2.gz	GOLNPFMKHNADRT-UHFFFAOYSA-N	1	1	353.470	2.373	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000268809147	550118816	/nfs/dbraw/zinc/11/88/16/550118816.db2.gz	STEZIJGSFUBSOT-HZMBPMFUSA-N	1	1	373.400	2.338	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)cc3Cl)CC[C@H]21	ZINC000269121037	550157257	/nfs/dbraw/zinc/15/72/57/550157257.db2.gz	SGBHYZVDKGIEHO-CZUORRHYSA-N	1	1	360.845	2.093	20	30		FEEDMO
COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(C#N)ccc1Br	ZINC000492722629	561452433	/nfs/dbraw/zinc/45/24/33/561452433.db2.gz	NTOIPOUXJZJBCK-HNNXBMFYSA-N	1	1	355.232	2.379	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(Cc3nnc4n3CCCC4)CC2)cc1	ZINC000269323632	550180925	/nfs/dbraw/zinc/18/09/25/550180925.db2.gz	UFAPLYWAMFABBE-UHFFFAOYSA-N	1	1	350.470	2.194	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1)OCC	ZINC000270104349	550249384	/nfs/dbraw/zinc/24/93/84/550249384.db2.gz	RFCABEYKRBXWJZ-LJQANCHMSA-N	1	1	360.502	2.081	20	30		FEEDMO
N#CCc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1	ZINC000270281005	550258823	/nfs/dbraw/zinc/25/88/23/550258823.db2.gz	MLVQUNYJIMPGQX-LJQANCHMSA-N	1	1	362.433	2.455	20	30		FEEDMO
N#CCc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1	ZINC000270281005	550258825	/nfs/dbraw/zinc/25/88/25/550258825.db2.gz	MLVQUNYJIMPGQX-LJQANCHMSA-N	1	1	362.433	2.455	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)CC1	ZINC000270310754	550260764	/nfs/dbraw/zinc/26/07/64/550260764.db2.gz	UWZJBYBMDWDFHF-UHFFFAOYSA-N	1	1	362.433	2.393	20	30		FEEDMO
C[N@@H+](CCCO)C1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1	ZINC000270337081	550262932	/nfs/dbraw/zinc/26/29/32/550262932.db2.gz	AUCUIHDDPPXIKZ-UHFFFAOYSA-N	1	1	373.497	2.413	20	30		FEEDMO
CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@H]1O	ZINC000270930209	550322419	/nfs/dbraw/zinc/32/24/19/550322419.db2.gz	QBTWVFAIAILWQJ-MAUKXSAKSA-N	1	1	370.453	2.259	20	30		FEEDMO
CC[C@H]1C[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@H]1O	ZINC000270930209	550322422	/nfs/dbraw/zinc/32/24/22/550322422.db2.gz	QBTWVFAIAILWQJ-MAUKXSAKSA-N	1	1	370.453	2.259	20	30		FEEDMO
C=CCOc1c(Br)cc(C[N@H+](CCO)CCOC)cc1OC	ZINC000271138824	550344506	/nfs/dbraw/zinc/34/45/06/550344506.db2.gz	BJBDTSQDAZSXEV-UHFFFAOYSA-N	1	1	374.275	2.463	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@@H+](CCO)CCOCC(F)(F)F)cc1	ZINC000271163600	550347307	/nfs/dbraw/zinc/34/73/07/550347307.db2.gz	GQRUTBNWDOMEKL-UHFFFAOYSA-N	1	1	359.392	2.410	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCc1cnccn1	ZINC000271294141	550361929	/nfs/dbraw/zinc/36/19/29/550361929.db2.gz	CSTGDZRDQBQYPW-OAHLLOKOSA-N	1	1	355.417	2.425	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCc1cnccn1	ZINC000271294141	550361930	/nfs/dbraw/zinc/36/19/30/550361930.db2.gz	CSTGDZRDQBQYPW-OAHLLOKOSA-N	1	1	355.417	2.425	20	30		FEEDMO
COC[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(F)c(F)c1	ZINC000271823242	550404515	/nfs/dbraw/zinc/40/45/15/550404515.db2.gz	USXXQZDPRXPGAY-GOSISDBHSA-N	1	1	359.376	2.430	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000272015194	550416191	/nfs/dbraw/zinc/41/61/91/550416191.db2.gz	LMRRIJQSZRPQMT-CYBMUJFWSA-N	1	1	364.833	2.216	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)CC1(C#N)CCCC1)CCC(F)(F)F	ZINC000494383556	561468371	/nfs/dbraw/zinc/46/83/71/561468371.db2.gz	FUYVGDCRRHPDET-UHFFFAOYSA-N	1	1	355.426	2.264	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)CC1(C#N)CCCC1)CCC(F)(F)F	ZINC000494383556	561468372	/nfs/dbraw/zinc/46/83/72/561468372.db2.gz	FUYVGDCRRHPDET-UHFFFAOYSA-N	1	1	355.426	2.264	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1	ZINC000272361858	550441003	/nfs/dbraw/zinc/44/10/03/550441003.db2.gz	SGZFUWCDVGSGKK-QAPCUYQASA-N	1	1	357.454	2.133	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCC#N)CC(C)(C)C)CC1=O	ZINC000494411532	561469198	/nfs/dbraw/zinc/46/91/98/561469198.db2.gz	BVMKSDAMIVYFQF-IAGOWNOFSA-N	1	1	362.518	2.108	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000272989224	550479772	/nfs/dbraw/zinc/47/97/72/550479772.db2.gz	KKJKEIIZBCLXCC-LJQANCHMSA-N	1	1	355.463	2.252	20	30		FEEDMO
N#CC1(CS(=O)(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1	ZINC000274160217	550525809	/nfs/dbraw/zinc/52/58/09/550525809.db2.gz	FKTYXXZYTHNWQJ-UHFFFAOYSA-N	1	1	359.495	2.143	20	30		FEEDMO
N#Cc1ccc(CN2C(=O)N[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)cc1	ZINC000274351513	550533949	/nfs/dbraw/zinc/53/39/49/550533949.db2.gz	SKNCUHRVTOIERV-NRFANRHFSA-N	1	1	360.417	2.255	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)CCOCCOCC)c(OC)c1	ZINC000276310898	550577751	/nfs/dbraw/zinc/57/77/51/550577751.db2.gz	XFBFLOASWWTQNO-SFHVURJKSA-N	1	1	367.486	2.148	20	30		FEEDMO
N#CC1(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CCOCC1	ZINC000277535390	550681584	/nfs/dbraw/zinc/68/15/84/550681584.db2.gz	SWLBKTUSPPPFFR-KRWDZBQOSA-N	1	1	359.495	2.041	20	30		FEEDMO
N#CC1(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CCOCC1	ZINC000277535390	550681586	/nfs/dbraw/zinc/68/15/86/550681586.db2.gz	SWLBKTUSPPPFFR-KRWDZBQOSA-N	1	1	359.495	2.041	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc(CC(=O)Nc3ccccc3OCC)no2)CC1	ZINC000278008588	550738552	/nfs/dbraw/zinc/73/85/52/550738552.db2.gz	XGLQOVWMNDMEDH-UHFFFAOYSA-N	1	1	368.437	2.462	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1	ZINC000279036471	550849322	/nfs/dbraw/zinc/84/93/22/550849322.db2.gz	IYDWEVOBBSANKY-UHFFFAOYSA-N	1	1	374.485	2.177	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1	ZINC000279036471	550849323	/nfs/dbraw/zinc/84/93/23/550849323.db2.gz	IYDWEVOBBSANKY-UHFFFAOYSA-N	1	1	374.485	2.177	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1	ZINC000279634981	550910817	/nfs/dbraw/zinc/91/08/17/550910817.db2.gz	PTRCPOGYEAYFFY-KDURUIRLSA-N	1	1	374.444	2.087	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000280826061	551036302	/nfs/dbraw/zinc/03/63/02/551036302.db2.gz	VMKAAPVHOZWIGK-UHFFFAOYSA-N	1	1	352.394	2.100	20	30		FEEDMO
CCCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000496246051	561493310	/nfs/dbraw/zinc/49/33/10/561493310.db2.gz	RHZVIOCFLDDIEV-UHFFFAOYSA-N	1	1	365.499	2.178	20	30		FEEDMO
COc1cc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)ccc1C#N	ZINC000281598942	551118348	/nfs/dbraw/zinc/11/83/48/551118348.db2.gz	FSXYIUJKWNASFI-UHFFFAOYSA-N	1	1	366.465	2.148	20	30		FEEDMO
CC(C)(C)OC(=O)NCc1nc(CO[NH+]=C(N)C2CCCCC2)no1	ZINC000281749059	551138929	/nfs/dbraw/zinc/13/89/29/551138929.db2.gz	BUXGJQQGHNGCJR-UHFFFAOYSA-N	1	1	353.423	2.463	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1	ZINC000281806194	551145073	/nfs/dbraw/zinc/14/50/73/551145073.db2.gz	NCZCZDXDHVYFMP-VQIMIIECSA-N	1	1	373.501	2.343	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1	ZINC000282085738	551178695	/nfs/dbraw/zinc/17/86/95/551178695.db2.gz	OJBBWGROCYZJDA-DLBZAZTESA-N	1	1	357.502	2.407	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1	ZINC000282085738	551178696	/nfs/dbraw/zinc/17/86/96/551178696.db2.gz	OJBBWGROCYZJDA-DLBZAZTESA-N	1	1	357.502	2.407	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1	ZINC000497405052	561500176	/nfs/dbraw/zinc/50/01/76/561500176.db2.gz	FMYWYCYPAFBBAG-GUXCAODWSA-N	1	1	364.534	2.304	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1	ZINC000282541711	551244566	/nfs/dbraw/zinc/24/45/66/551244566.db2.gz	RBWTYVNRWVHIIG-PKOBYXMFSA-N	1	1	366.465	2.187	20	30		FEEDMO
C=CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000282671120	551258037	/nfs/dbraw/zinc/25/80/37/551258037.db2.gz	RWPVWDSRXNRUFK-GOSISDBHSA-N	1	1	371.533	2.494	20	30		FEEDMO
CC[NH+](CC)[C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)c1ccsc1	ZINC000283119274	551314621	/nfs/dbraw/zinc/31/46/21/551314621.db2.gz	YSCAXNNQCVTJBC-ZFWWWQNUSA-N	1	1	358.533	2.199	20	30		FEEDMO
CC(C)[N@@H+](C)CCCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000497758414	561508272	/nfs/dbraw/zinc/50/82/72/561508272.db2.gz	QMEQRYNJDDPYLY-UHFFFAOYSA-N	1	1	365.499	2.224	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000283803065	551429518	/nfs/dbraw/zinc/42/95/18/551429518.db2.gz	AVFGNDMHUXLFHO-RTBURBONSA-N	1	1	368.481	2.038	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2cccc(C#N)c2)C1	ZINC000284164449	551496229	/nfs/dbraw/zinc/49/62/29/551496229.db2.gz	YHYLPCZMSJXVHH-IYBDPMFKSA-N	1	1	370.497	2.047	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)nn1CCC#N	ZINC000284859935	551652561	/nfs/dbraw/zinc/65/25/61/551652561.db2.gz	QVNMPOCIRZXLSA-SFHVURJKSA-N	1	1	366.469	2.496	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)nn1CCC#N	ZINC000284859935	551652564	/nfs/dbraw/zinc/65/25/64/551652564.db2.gz	QVNMPOCIRZXLSA-SFHVURJKSA-N	1	1	366.469	2.496	20	30		FEEDMO
C[N@H+]1CCN(CC(=O)NCc2ccc(C#N)cc2)C[C@H]1Cc1ccccc1	ZINC000284927226	551669496	/nfs/dbraw/zinc/66/94/96/551669496.db2.gz	YCLIZPRTVVMSHG-OAQYLSRUSA-N	1	1	362.477	2.033	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000285277685	551730860	/nfs/dbraw/zinc/73/08/60/551730860.db2.gz	ZTOOYEOVKFUYQZ-DLBZAZTESA-N	1	1	361.486	2.073	20	30		FEEDMO
COC[C@](C)(C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000285589365	551779412	/nfs/dbraw/zinc/77/94/12/551779412.db2.gz	HSSKIPZLSVVWPJ-WBVHZDCISA-N	1	1	351.397	2.189	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1)S(C)(=O)=O	ZINC000285613421	551782886	/nfs/dbraw/zinc/78/28/86/551782886.db2.gz	MWAQCEFWRLGKAF-MRXNPFEDSA-N	1	1	354.903	2.295	20	30		FEEDMO
CN(C[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1)S(C)(=O)=O	ZINC000285613421	551782887	/nfs/dbraw/zinc/78/28/87/551782887.db2.gz	MWAQCEFWRLGKAF-MRXNPFEDSA-N	1	1	354.903	2.295	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1)S(C)(=O)=O	ZINC000285714463	551799813	/nfs/dbraw/zinc/79/98/13/551799813.db2.gz	UARBNZSEQHUIAJ-INIZCTEOSA-N	1	1	354.903	2.295	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)S(C)(=O)=O	ZINC000285714463	551799816	/nfs/dbraw/zinc/79/98/16/551799816.db2.gz	UARBNZSEQHUIAJ-INIZCTEOSA-N	1	1	354.903	2.295	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1	ZINC000285934367	551828976	/nfs/dbraw/zinc/82/89/76/551828976.db2.gz	ONXJMUYGFOWASA-QGZVFWFLSA-N	1	1	373.497	2.104	20	30		FEEDMO
COC(=O)c1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1	ZINC000286090975	551847362	/nfs/dbraw/zinc/84/73/62/551847362.db2.gz	UEUGNUBYXQNXJY-UHFFFAOYSA-N	1	1	350.422	2.058	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)c2ccc(F)c(C#N)c2)CCC[N@H+]1C	ZINC000286116862	551850484	/nfs/dbraw/zinc/85/04/84/551850484.db2.gz	LZGGTBAZWJDEKB-KBXCAEBGSA-N	1	1	355.417	2.244	20	30		FEEDMO
CC[N@@H+]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1	ZINC000287099328	551963342	/nfs/dbraw/zinc/96/33/42/551963342.db2.gz	YYLHNALXDWEXCP-UHFFFAOYSA-N	1	1	372.288	2.037	20	30		FEEDMO
CC[N@H+]1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1	ZINC000287099328	551963344	/nfs/dbraw/zinc/96/33/44/551963344.db2.gz	YYLHNALXDWEXCP-UHFFFAOYSA-N	1	1	372.288	2.037	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000287106827	551964097	/nfs/dbraw/zinc/96/40/97/551964097.db2.gz	LYVBODXAQFUZKF-HNNXBMFYSA-N	1	1	369.387	2.040	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000287106827	551964100	/nfs/dbraw/zinc/96/41/00/551964100.db2.gz	LYVBODXAQFUZKF-HNNXBMFYSA-N	1	1	369.387	2.040	20	30		FEEDMO
CC(C)Oc1ccc([C@H](CNS(=O)(=O)CC2(C#N)CC2)[NH+](C)C)cc1	ZINC000287412120	552000730	/nfs/dbraw/zinc/00/07/30/552000730.db2.gz	LLIQDCWNOWQGPS-KRWDZBQOSA-N	1	1	365.499	2.300	20	30		FEEDMO
COC[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1cccc(Cl)c1F	ZINC000287663144	552031534	/nfs/dbraw/zinc/03/15/34/552031534.db2.gz	LUFMESPZSVRZEO-WPCFGXOUSA-N	1	1	367.808	2.283	20	30		FEEDMO
C[C@@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000287683750	552034215	/nfs/dbraw/zinc/03/42/15/552034215.db2.gz	DWNSYDDHIMTSGT-ZDUSSCGKSA-N	1	1	360.439	2.050	20	30		FEEDMO
C[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C1=CC[N@@H+](C)CC1	ZINC000287994829	552072438	/nfs/dbraw/zinc/07/24/38/552072438.db2.gz	VJJPXARAEPIUAV-WMLDXEAASA-N	1	1	356.445	2.290	20	30		FEEDMO
CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)o1	ZINC000288231719	552115377	/nfs/dbraw/zinc/11/53/77/552115377.db2.gz	RYTCBNKBMARLRC-MRXNPFEDSA-N	1	1	359.451	2.436	20	30		FEEDMO
CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)o1	ZINC000288231719	552115380	/nfs/dbraw/zinc/11/53/80/552115380.db2.gz	RYTCBNKBMARLRC-MRXNPFEDSA-N	1	1	359.451	2.436	20	30		FEEDMO
Cc1onc(CC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1C#N	ZINC000499845104	561559701	/nfs/dbraw/zinc/55/97/01/561559701.db2.gz	FSOYDECPXJVKPP-QGZVFWFLSA-N	1	1	352.438	2.078	20	30		FEEDMO
CC[C@](C)(C#N)c1nc(-c2ccccc2C[N@@H+]2CCC[C@@H]2C(N)=O)no1	ZINC000289097335	552265558	/nfs/dbraw/zinc/26/55/58/552265558.db2.gz	PKEXWMSJLSNKIA-DNVCBOLYSA-N	1	1	353.426	2.378	20	30		FEEDMO
CC[C@](C)(C#N)c1nc(-c2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)no1	ZINC000289097335	552265560	/nfs/dbraw/zinc/26/55/60/552265560.db2.gz	PKEXWMSJLSNKIA-DNVCBOLYSA-N	1	1	353.426	2.378	20	30		FEEDMO
C=CCn1c(-c2cccn2C)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000289606374	552348895	/nfs/dbraw/zinc/34/88/95/552348895.db2.gz	IWTIHPRWNMWMMV-MRXNPFEDSA-N	1	1	370.501	2.159	20	30		FEEDMO
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cncc(C#N)c1	ZINC000289648382	552355905	/nfs/dbraw/zinc/35/59/05/552355905.db2.gz	GCEGNJHNCXZHOS-MJGOQNOKSA-N	1	1	368.462	2.258	20	30		FEEDMO
CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000290497741	552488714	/nfs/dbraw/zinc/48/87/14/552488714.db2.gz	UJWIWHYYGDWFBD-CABCVRRESA-N	1	1	360.458	2.153	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccccc1	ZINC000290895130	552557932	/nfs/dbraw/zinc/55/79/32/552557932.db2.gz	VGDIMYYGGTXZHV-ZWKOTPCHSA-N	1	1	366.396	2.197	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC[N@H+](C2CCC2)C1	ZINC000291826802	552665992	/nfs/dbraw/zinc/66/59/92/552665992.db2.gz	FPDRYIUTXKEUHB-ZDUSSCGKSA-N	1	1	351.447	2.192	20	30		FEEDMO
C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000292168973	552700889	/nfs/dbraw/zinc/70/08/89/552700889.db2.gz	LSBQCWMUEYRYMO-CRAIPNDOSA-N	1	1	350.422	2.284	20	30		FEEDMO
C[C@@H](NC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000292168973	552700891	/nfs/dbraw/zinc/70/08/91/552700891.db2.gz	LSBQCWMUEYRYMO-CRAIPNDOSA-N	1	1	350.422	2.284	20	30		FEEDMO
CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292244569	552708144	/nfs/dbraw/zinc/70/81/44/552708144.db2.gz	QLOHFWIZTRYIGS-IEBWSBKVSA-N	1	1	350.422	2.236	20	30		FEEDMO
CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292244569	552708145	/nfs/dbraw/zinc/70/81/45/552708145.db2.gz	QLOHFWIZTRYIGS-IEBWSBKVSA-N	1	1	350.422	2.236	20	30		FEEDMO
N#Cc1ccccc1N1CCC[N@H+](C[C@@H](O)COCC(F)(F)F)CC1	ZINC000292431940	552726288	/nfs/dbraw/zinc/72/62/88/552726288.db2.gz	LWACVBXUTXKNCA-OAHLLOKOSA-N	1	1	357.376	2.010	20	30		FEEDMO
Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(Cl)cc1C#N	ZINC000292769971	552757107	/nfs/dbraw/zinc/75/71/07/552757107.db2.gz	WQBAFOSSQOQJIF-GOOCMWNKSA-N	1	1	361.877	2.411	20	30		FEEDMO
N#C[C@H]1CC[C@H]([NH+]2CCN(CC(=O)N3CCCc4ccccc43)CC2)C1	ZINC000292872773	552767311	/nfs/dbraw/zinc/76/73/11/552767311.db2.gz	SQWIJGOWFMZXJS-HKUYNNGSSA-N	1	1	352.482	2.276	20	30		FEEDMO
OCc1cn([C@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)nn1	ZINC000293015712	552780683	/nfs/dbraw/zinc/78/06/83/552780683.db2.gz	QDXUWWRYUKYACZ-KRWDZBQOSA-N	1	1	364.371	2.478	20	30		FEEDMO
OCc1cn([C@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)nn1	ZINC000293015712	552780685	/nfs/dbraw/zinc/78/06/85/552780685.db2.gz	QDXUWWRYUKYACZ-KRWDZBQOSA-N	1	1	364.371	2.478	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1	ZINC000293351725	552814452	/nfs/dbraw/zinc/81/44/52/552814452.db2.gz	XPJNTWZUKIVABA-HXUWFJFHSA-N	1	1	357.454	2.134	20	30		FEEDMO
C=CCOCC[NH+]1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1	ZINC000293642861	552843269	/nfs/dbraw/zinc/84/32/69/552843269.db2.gz	XQYKFWBTPGMDDE-UHFFFAOYSA-N	1	1	358.442	2.065	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O	ZINC000293960973	552871275	/nfs/dbraw/zinc/87/12/75/552871275.db2.gz	LARYQMYIELPVII-OAHLLOKOSA-N	1	1	365.886	2.214	20	30		FEEDMO
C=CCOc1ccc(CC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1	ZINC000294879499	552940950	/nfs/dbraw/zinc/94/09/50/552940950.db2.gz	DGMDTCWAHMCWLO-UHFFFAOYSA-N	1	1	359.514	2.278	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000295065845	552955372	/nfs/dbraw/zinc/95/53/72/552955372.db2.gz	ABTMXJJTQHQNQN-HLLBOEOZSA-N	1	1	362.433	2.166	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000295065845	552955374	/nfs/dbraw/zinc/95/53/74/552955374.db2.gz	ABTMXJJTQHQNQN-HLLBOEOZSA-N	1	1	362.433	2.166	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1	ZINC000295085569	552957584	/nfs/dbraw/zinc/95/75/84/552957584.db2.gz	BLIIJTAIKSLZSH-ZBFHGGJFSA-N	1	1	356.470	2.499	20	30		FEEDMO
CC(C)(C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1)C(N)=O	ZINC000295468626	553011944	/nfs/dbraw/zinc/01/19/44/553011944.db2.gz	GABJCQCCBSYOFZ-UKRRQHHQSA-N	1	1	374.510	2.339	20	30		FEEDMO
CC(C)(C[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1)C(N)=O	ZINC000295468626	553011945	/nfs/dbraw/zinc/01/19/45/553011945.db2.gz	GABJCQCCBSYOFZ-UKRRQHHQSA-N	1	1	374.510	2.339	20	30		FEEDMO
CC(C)(C[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1)C(N)=O	ZINC000295513813	553018987	/nfs/dbraw/zinc/01/89/87/553018987.db2.gz	IBTYMYCODPUGES-SJLPKXTDSA-N	1	1	368.481	2.277	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000502299309	561615724	/nfs/dbraw/zinc/61/57/24/561615724.db2.gz	WREXTRRAGNZANU-DZFIZOCASA-N	1	1	357.498	2.294	20	30		FEEDMO
CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1	ZINC000296096716	553104007	/nfs/dbraw/zinc/10/40/07/553104007.db2.gz	GIJVQLWINOGJOK-INIZCTEOSA-N	1	1	372.469	2.250	20	30		FEEDMO
CC(C)(CC#N)CS(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1	ZINC000296466283	553164581	/nfs/dbraw/zinc/16/45/81/553164581.db2.gz	XQDNEJIZJDVOEP-HDICACEKSA-N	1	1	361.511	2.320	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+](Cc2cccc(C(N)=O)c2)C2CC2)cc1	ZINC000296667804	553195671	/nfs/dbraw/zinc/19/56/71/553195671.db2.gz	KNMIPOCFDDHIPV-LJQANCHMSA-N	1	1	365.433	2.061	20	30		FEEDMO
C[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+](C2CC2)C1	ZINC000296695556	553199183	/nfs/dbraw/zinc/19/91/83/553199183.db2.gz	KFRWRSHBEBYKJM-JXFKEZNVSA-N	1	1	352.482	2.470	20	30		FEEDMO
CO[C@H](Cc1ccccc1)C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C	ZINC000296723369	553203190	/nfs/dbraw/zinc/20/31/90/553203190.db2.gz	HRTTTXJJKQZFDU-FUHWJXTLSA-N	1	1	351.454	2.116	20	30		FEEDMO
Cc1nsc(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1C#N	ZINC000297343400	553280930	/nfs/dbraw/zinc/28/09/30/553280930.db2.gz	FIBQUKTVCPUPKZ-YRGRVCCFSA-N	1	1	363.487	2.429	20	30		FEEDMO
Cc1nsc(NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1C#N	ZINC000297552065	553308131	/nfs/dbraw/zinc/30/81/31/553308131.db2.gz	ZPQONXSILRZYBE-HNNXBMFYSA-N	1	1	371.466	2.212	20	30		FEEDMO
N#Cc1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1F	ZINC000503703024	561647158	/nfs/dbraw/zinc/64/71/58/561647158.db2.gz	WIBBXKKFAMABBZ-UHFFFAOYSA-N	1	1	353.397	2.460	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1	ZINC000299047754	553508233	/nfs/dbraw/zinc/50/82/33/553508233.db2.gz	FTIUXXIOKHXWIE-KGLIPLIRSA-N	1	1	373.400	2.482	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000299183750	553526611	/nfs/dbraw/zinc/52/66/11/553526611.db2.gz	QGZSJACGPRVRMT-PMACEKPBSA-N	1	1	369.509	2.186	20	30		FEEDMO
CS[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1N1CCCC1	ZINC000299197513	553529017	/nfs/dbraw/zinc/52/90/17/553529017.db2.gz	FBCQLZVFVNLCII-ZWKOTPCHSA-N	1	1	358.511	2.398	20	30		FEEDMO
CS[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H]1N1CCCC1	ZINC000299197513	553529019	/nfs/dbraw/zinc/52/90/19/553529019.db2.gz	FBCQLZVFVNLCII-ZWKOTPCHSA-N	1	1	358.511	2.398	20	30		FEEDMO
COc1ccccc1C[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000299413054	553560289	/nfs/dbraw/zinc/56/02/89/553560289.db2.gz	CLJSXQZXVXMEQH-GOSISDBHSA-N	1	1	354.454	2.358	20	30		FEEDMO
CCCCCC(=O)NC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000299622197	553590208	/nfs/dbraw/zinc/59/02/08/553590208.db2.gz	ZYSRUHGVRQCCKH-UHFFFAOYSA-N	1	1	370.497	2.335	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCCC3(C1)OCCO3)CCC2	ZINC000299725731	553608086	/nfs/dbraw/zinc/60/80/86/553608086.db2.gz	UNJXQOPTFANNFO-UHFFFAOYSA-N	1	1	361.467	2.276	20	30		FEEDMO
C[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[NH+]1CCN(C)CC1	ZINC000301410267	553650110	/nfs/dbraw/zinc/65/01/10/553650110.db2.gz	OPTZNZFIJHEUSS-CYBMUJFWSA-N	1	1	354.414	2.062	20	30		FEEDMO
COc1cccc(OCC[NH+]2CCN(c3nnc(C)c(C)c3C#N)CC2)c1	ZINC000301660943	553669762	/nfs/dbraw/zinc/66/97/62/553669762.db2.gz	CRRZTIGVJXZPQC-UHFFFAOYSA-N	1	1	367.453	2.175	20	30		FEEDMO
C[C@@H]1CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1CC(C)(C)O	ZINC000302467573	553717912	/nfs/dbraw/zinc/71/79/12/553717912.db2.gz	BWMMZUQOWDFALS-CYBMUJFWSA-N	1	1	369.425	2.296	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1	ZINC000328611303	553796226	/nfs/dbraw/zinc/79/62/26/553796226.db2.gz	OIUYBNIGVJPBFX-KURKYZTESA-N	1	1	351.491	2.068	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCC[C@H]1CCCO1	ZINC000328631692	553799546	/nfs/dbraw/zinc/79/95/46/553799546.db2.gz	RICFJTWNBWOJRB-CGTJXYLNSA-N	1	1	363.506	2.218	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)C(=O)N[C@@H]2CCCC23CCOCC3)C[C@H](C)O1	ZINC000328693604	553808347	/nfs/dbraw/zinc/80/83/47/553808347.db2.gz	FSCIEELHFIAKCI-IXDOHACOSA-N	1	1	353.507	2.291	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)C(=O)N[C@@H]2CCCC23CCOCC3)C[C@H](C)O1	ZINC000328693604	553808350	/nfs/dbraw/zinc/80/83/50/553808350.db2.gz	FSCIEELHFIAKCI-IXDOHACOSA-N	1	1	353.507	2.291	20	30		FEEDMO
C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC[C@@H]2Cc2ccccc2)CC1	ZINC000328694421	553808446	/nfs/dbraw/zinc/80/84/46/553808446.db2.gz	JZHTVXWJHBMVLY-LJQANCHMSA-N	1	1	372.513	2.162	20	30		FEEDMO
O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@@H]1CCC[N@H+]1C1CCOCC1	ZINC000328722233	553812776	/nfs/dbraw/zinc/81/27/76/553812776.db2.gz	XJTUVRBXCOPOTQ-RYQLBKOJSA-N	1	1	366.502	2.154	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)NCc1cc2c(c(Br)c1)OCO2	ZINC000328746850	553815994	/nfs/dbraw/zinc/81/59/94/553815994.db2.gz	OWZJOADGANYBRL-LLVKDONJSA-N	1	1	370.247	2.276	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2	ZINC000328760764	553818193	/nfs/dbraw/zinc/81/81/93/553818193.db2.gz	XSLONVNNDHBRAF-GOEBONIOSA-N	1	1	364.490	2.127	20	30		FEEDMO
Cc1csc([C@@H]2CN(C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)CCO2)n1	ZINC000328787358	553822424	/nfs/dbraw/zinc/82/24/24/553822424.db2.gz	JLVCHHSBFDTYKE-HIFRSBDPSA-N	1	1	352.504	2.471	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O)Nc1nc2c(s1)CCCC2	ZINC000328786137	553822433	/nfs/dbraw/zinc/82/24/33/553822433.db2.gz	KQNNWIHZSSFPNB-YUELXQCFSA-N	1	1	365.499	2.472	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O)Nc1nc2c(s1)CCCC2	ZINC000328786137	553822434	/nfs/dbraw/zinc/82/24/34/553822434.db2.gz	KQNNWIHZSSFPNB-YUELXQCFSA-N	1	1	365.499	2.472	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)CC2)C[C@H](C)O1	ZINC000328842883	553831420	/nfs/dbraw/zinc/83/14/20/553831420.db2.gz	QGCGZFYWKVPCOL-WTLGNFPFSA-N	1	1	365.518	2.289	20	30		FEEDMO
CC1CCC2(CC1)NC(=O)N(CC(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)C2=O	ZINC000328912817	553843786	/nfs/dbraw/zinc/84/37/86/553843786.db2.gz	HOBGJIPGNHRLKJ-QXGUJMOYSA-N	1	1	362.474	2.275	20	30		FEEDMO
C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCC[C@](O)(Cn2ccnn2)C1	ZINC000328938166	553848945	/nfs/dbraw/zinc/84/89/45/553848945.db2.gz	JZOFKGOFPNZIQP-QLCXLMDBSA-N	1	1	363.506	2.275	20	30		FEEDMO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H]1Cc2ccccc2O1	ZINC000328957767	553852655	/nfs/dbraw/zinc/85/26/55/553852655.db2.gz	JMAPFUDONNBJIL-NYUBLWNDSA-N	1	1	374.481	2.199	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1)NC12CC3CC(CC(C3)C1)C2	ZINC000328960239	553853436	/nfs/dbraw/zinc/85/34/36/553853436.db2.gz	PKZSLMMKWVKVDY-AKMRJOLWSA-N	1	1	373.501	2.030	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000328979839	553858088	/nfs/dbraw/zinc/85/80/88/553858088.db2.gz	DCBUCPGRUXUVRK-UWWQBHOKSA-N	1	1	359.474	2.055	20	30		FEEDMO
CC(C)[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)N1CCCS1(=O)=O	ZINC000328983663	553858595	/nfs/dbraw/zinc/85/85/95/553858595.db2.gz	FTZUNWJQJWZOIM-UYTSQGDYSA-N	1	1	357.520	2.018	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)c1cnc2c(c1)NC(=O)CO2)[NH+]1CCOCC1	ZINC000329087101	553878031	/nfs/dbraw/zinc/87/80/31/553878031.db2.gz	HDEHXAOZHMXKOB-AWEZNQCLSA-N	1	1	362.430	2.114	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O	ZINC000329112365	553882744	/nfs/dbraw/zinc/88/27/44/553882744.db2.gz	HBOLQFUJGKLHGM-LJPSSGMGSA-N	1	1	364.490	2.234	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CSCN2C(=O)C2CCC2)C1	ZINC000329184850	553897987	/nfs/dbraw/zinc/89/79/87/553897987.db2.gz	PVYDOOBOBXJSPD-HZPDHXFCSA-N	1	1	369.531	2.001	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CNC(=O)c2ccccn2)CC1	ZINC000329198425	553900261	/nfs/dbraw/zinc/90/02/61/553900261.db2.gz	WOTDMOVTBPVOGL-GOSISDBHSA-N	1	1	358.486	2.499	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)nc1	ZINC000329214019	553903743	/nfs/dbraw/zinc/90/37/43/553903743.db2.gz	KLJDNWSHURHBOJ-IBGZPJMESA-N	1	1	367.497	2.399	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)C1	ZINC000329250026	553910698	/nfs/dbraw/zinc/91/06/98/553910698.db2.gz	XJIQXMBKVOJABN-JXFKEZNVSA-N	1	1	362.518	2.109	20	30		FEEDMO
CC[C@H](NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)c1nnc2n1CCCCC2	ZINC000329302357	553920820	/nfs/dbraw/zinc/92/08/20/553920820.db2.gz	WTBGKXGPQPIQDK-JYJNAYRXSA-N	1	1	360.506	2.396	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NC2CCC(NC(C)=O)CC2)C[C@@H]1[NH+]1CCOCC1	ZINC000329315961	553923696	/nfs/dbraw/zinc/92/36/96/553923696.db2.gz	SBESDOZVCPJCTR-CPFNUKBASA-N	1	1	366.506	2.231	20	30		FEEDMO
C[C@H]1C[C@@H](C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CC(=O)N1	ZINC000329336373	553927749	/nfs/dbraw/zinc/92/77/49/553927749.db2.gz	LSWBAFYMUNIIQD-GOEBONIOSA-N	1	1	372.469	2.346	20	30		FEEDMO
C[C@H](NC(=O)NCc1ccccc1N1CCOCC1)C1=CC[N@@H+](C)CC1	ZINC000329342326	553928812	/nfs/dbraw/zinc/92/88/12/553928812.db2.gz	PNGRNHXQBBNSCF-INIZCTEOSA-N	1	1	358.486	2.177	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2nc(C)cc(C)n2)CC1	ZINC000329362050	553932339	/nfs/dbraw/zinc/93/23/39/553932339.db2.gz	CSUSBXOZXSRFGL-QGZVFWFLSA-N	1	1	360.506	2.004	20	30		FEEDMO
COCCCOc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1	ZINC000506615368	561703946	/nfs/dbraw/zinc/70/39/46/561703946.db2.gz	YJJHUHHHGYPCAK-IBGZPJMESA-N	1	1	353.422	2.290	20	30		FEEDMO
O=C(C[N@@H+]1CCOCC2(CC2)C1)NCc1ccccc1CN1CCCC1=O	ZINC000329437903	553947203	/nfs/dbraw/zinc/94/72/03/553947203.db2.gz	JKWQAIQKSZICAN-UHFFFAOYSA-N	1	1	371.481	2.378	20	30		FEEDMO
O=C(C[N@H+]1CCOCC2(CC2)C1)NCc1ccccc1CN1CCCC1=O	ZINC000329437903	553947204	/nfs/dbraw/zinc/94/72/04/553947204.db2.gz	JKWQAIQKSZICAN-UHFFFAOYSA-N	1	1	371.481	2.378	20	30		FEEDMO
CS(=O)(=O)C1(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)CCCC1	ZINC000329489888	553956588	/nfs/dbraw/zinc/95/65/88/553956588.db2.gz	SIBUSLKJCMAWFP-UHFFFAOYSA-N	1	1	372.531	2.335	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1)C2	ZINC000329595915	553973634	/nfs/dbraw/zinc/97/36/34/553973634.db2.gz	VPZLGEDUEORDLO-NWDGAFQWSA-N	1	1	358.364	2.121	20	30		FEEDMO
C[C@]12CCC[N@@H+]1C[C@H](c1noc(CNC(=O)NC3CCCCC3)n1)OC2	ZINC000329617820	553977301	/nfs/dbraw/zinc/97/73/01/553977301.db2.gz	STHHBBGCFFLWON-RDTXWAMCSA-N	1	1	363.462	2.332	20	30		FEEDMO
C[C@]12CCC[N@H+]1C[C@H](c1noc(CNC(=O)NC3CCCCC3)n1)OC2	ZINC000329617820	553977303	/nfs/dbraw/zinc/97/73/03/553977303.db2.gz	STHHBBGCFFLWON-RDTXWAMCSA-N	1	1	363.462	2.332	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)NC[C@H]1Cc2ccccc2O1	ZINC000329648263	553982141	/nfs/dbraw/zinc/98/21/41/553982141.db2.gz	FBTKHWHMLUJRHO-QZTJIDSGSA-N	1	1	371.481	2.281	20	30		FEEDMO
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000329723015	553995510	/nfs/dbraw/zinc/99/55/10/553995510.db2.gz	CQEWQZXWFHTUFI-ULQDDVLXSA-N	1	1	350.507	2.108	20	30		FEEDMO
C[NH+]1CCN(C(=O)C2CCN(C(=O)NCC3(C)CCCCC3)CC2)CC1	ZINC000329740045	553997774	/nfs/dbraw/zinc/99/77/74/553997774.db2.gz	NWFOFJWICFXRIN-UHFFFAOYSA-N	1	1	364.534	2.357	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000329802820	554008639	/nfs/dbraw/zinc/00/86/39/554008639.db2.gz	KRMCXWMJSZJVPN-MNEFBYGVSA-N	1	1	365.518	2.433	20	30		FEEDMO
C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000329815602	554010663	/nfs/dbraw/zinc/01/06/63/554010663.db2.gz	VIIJLVDIGVBVHA-SJLPKXTDSA-N	1	1	364.534	2.008	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC1(N2CCOCC2)CCCCC1	ZINC000329815602	554010666	/nfs/dbraw/zinc/01/06/66/554010666.db2.gz	VIIJLVDIGVBVHA-SJLPKXTDSA-N	1	1	364.534	2.008	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)C1	ZINC000329814420	554011005	/nfs/dbraw/zinc/01/10/05/554011005.db2.gz	UMVBVCHRMPXQCB-OWCLPIDISA-N	1	1	354.495	2.331	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)CC2	ZINC000329858035	554020213	/nfs/dbraw/zinc/02/02/13/554020213.db2.gz	VTYKXDRYYSRJTQ-GOEBONIOSA-N	1	1	362.522	2.292	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccccc1	ZINC000329890160	554025104	/nfs/dbraw/zinc/02/51/04/554025104.db2.gz	FUCUMLBGTSEHBM-ZFKCKOODSA-N	1	1	357.454	2.024	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1	ZINC000329946564	554036603	/nfs/dbraw/zinc/03/66/03/554036603.db2.gz	GNASSQSRDCMQGZ-VQIMIIECSA-N	1	1	353.507	2.435	20	30		FEEDMO
Cc1cccc2c1OCC[C@H]2NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000329965331	554040246	/nfs/dbraw/zinc/04/02/46/554040246.db2.gz	RADIFNGPBDPBCN-SJLPKXTDSA-N	1	1	360.502	2.348	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H](C)C1	ZINC000507380562	561727097	/nfs/dbraw/zinc/72/70/97/561727097.db2.gz	LBMAXUOKNLYSQJ-HUUCEWRRSA-N	1	1	374.510	2.429	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H](C)C1	ZINC000507380562	561727098	/nfs/dbraw/zinc/72/70/98/561727098.db2.gz	LBMAXUOKNLYSQJ-HUUCEWRRSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cccc(C#N)c1)c1cccc(F)c1	ZINC000507381177	561727141	/nfs/dbraw/zinc/72/71/41/561727141.db2.gz	MJWSRRPQAUKWLE-SFHVURJKSA-N	1	1	361.442	2.420	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[S@](=O)C2)[C@@H]1c1cccs1	ZINC000330010557	554049053	/nfs/dbraw/zinc/04/90/53/554049053.db2.gz	HCSXSAVAOBACKM-XKYPWLMQSA-N	1	1	355.529	2.156	20	30		FEEDMO
COCC[N@@H+]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)C[C@@H]1C	ZINC000330042767	554054142	/nfs/dbraw/zinc/05/41/42/554054142.db2.gz	GXWNRJMNGZRHFS-IRXDYDNUSA-N	1	1	353.507	2.435	20	30		FEEDMO
COCC[N@H+]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)C[C@@H]1C	ZINC000330042767	554054143	/nfs/dbraw/zinc/05/41/43/554054143.db2.gz	GXWNRJMNGZRHFS-IRXDYDNUSA-N	1	1	353.507	2.435	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](N3CCCC3=O)C2)C1	ZINC000330069068	554059196	/nfs/dbraw/zinc/05/91/96/554059196.db2.gz	VYGJGSOTJJJXOA-HZPDHXFCSA-N	1	1	350.507	2.108	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC(O[C@H]3CCOC3)CC2)C1	ZINC000330079733	554061128	/nfs/dbraw/zinc/06/11/28/554061128.db2.gz	ONMDBRXFBZZGLZ-AEFFLSMTSA-N	1	1	353.507	2.291	20	30		FEEDMO
Cc1c(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)sc2nccc(C)c12	ZINC000330111561	554066744	/nfs/dbraw/zinc/06/67/44/554066744.db2.gz	RGGSSHWJLBZHPW-GOSISDBHSA-N	1	1	363.483	2.301	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1	ZINC000330152286	554074492	/nfs/dbraw/zinc/07/44/92/554074492.db2.gz	WPUDUVKBWZMRMB-WOJBJXKFSA-N	1	1	371.481	2.270	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1C#N	ZINC000330200765	554083666	/nfs/dbraw/zinc/08/36/66/554083666.db2.gz	WXEZIQAILMRYCS-VBQJREDUSA-N	1	1	362.499	2.288	20	30		FEEDMO
Cc1noc(C)c1[C@@H](C)CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000330254070	554093645	/nfs/dbraw/zinc/09/36/45/554093645.db2.gz	JHAFHYLTWIQENV-KBPBESRZSA-N	1	1	364.490	2.494	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2ccc3nc(C)cn3c2)C[C@@H]1[NH+]1CCOCC1	ZINC000330269827	554096614	/nfs/dbraw/zinc/09/66/14/554096614.db2.gz	SKWIEJZMNJVBLE-WBVHZDCISA-N	1	1	357.458	2.231	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCc1cccnc1	ZINC000330281923	554098898	/nfs/dbraw/zinc/09/88/98/554098898.db2.gz	AFKPQPJDQGBXIQ-FUHWJXTLSA-N	1	1	356.474	2.244	20	30		FEEDMO
Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1	ZINC000330325551	554105629	/nfs/dbraw/zinc/10/56/29/554105629.db2.gz	JJPNHSZLWZZCQG-BMGDILEWSA-N	1	1	362.474	2.098	20	30		FEEDMO
Cc1c([C@H]2OCC[C@@H]2NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cnn1C	ZINC000330332215	554106919	/nfs/dbraw/zinc/10/69/19/554106919.db2.gz	OTEYCBGAAHNTDC-LXWIVHRMSA-N	1	1	361.490	2.077	20	30		FEEDMO
CCCNC(=O)[C@@H]1CCCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1	ZINC000330345162	554108923	/nfs/dbraw/zinc/10/89/23/554108923.db2.gz	DVMDKQZQWBVRPW-OAHLLOKOSA-N	1	1	372.473	2.441	20	30		FEEDMO
COC(=O)[C@]1(C)CN(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)C[C@H]1C	ZINC000330399179	554116479	/nfs/dbraw/zinc/11/64/79/554116479.db2.gz	CSZBOJIHDHSAEP-GPMSIDNRSA-N	1	1	353.507	2.399	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1	ZINC000330413986	554118656	/nfs/dbraw/zinc/11/86/56/554118656.db2.gz	MRARQMZWSNYMHD-FUHWJXTLSA-N	1	1	364.515	2.109	20	30		FEEDMO
COC(=O)c1ccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1Cl	ZINC000330518567	554132665	/nfs/dbraw/zinc/13/26/65/554132665.db2.gz	YHEYFOFRKXOWIJ-NWDGAFQWSA-N	1	1	369.849	2.059	20	30		FEEDMO
COC(=O)c1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1Cl	ZINC000330518567	554132667	/nfs/dbraw/zinc/13/26/67/554132667.db2.gz	YHEYFOFRKXOWIJ-NWDGAFQWSA-N	1	1	369.849	2.059	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1F	ZINC000330545984	554136169	/nfs/dbraw/zinc/13/61/69/554136169.db2.gz	BXRZHEPGFQKFSO-NWDGAFQWSA-N	1	1	357.401	2.296	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1F	ZINC000330545984	554136171	/nfs/dbraw/zinc/13/61/71/554136171.db2.gz	BXRZHEPGFQKFSO-NWDGAFQWSA-N	1	1	357.401	2.296	20	30		FEEDMO
CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1	ZINC000330578352	554140567	/nfs/dbraw/zinc/14/05/67/554140567.db2.gz	RVPHSKKMCGBGLX-UGSOOPFHSA-N	1	1	367.877	2.146	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cc(OC)ccc2OC)CC[N@H+]1C[C@@H](C)O	ZINC000330652932	554150903	/nfs/dbraw/zinc/15/09/03/554150903.db2.gz	NPOWOXCKLDOJSO-KGLIPLIRSA-N	1	1	351.447	2.026	20	30		FEEDMO
Cc1c(CS(C)(=O)=O)cccc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C	ZINC000330897403	554184480	/nfs/dbraw/zinc/18/44/80/554184480.db2.gz	UEUHHXSNRLWUID-KGLIPLIRSA-N	1	1	353.488	2.110	20	30		FEEDMO
CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1	ZINC000330964433	554195066	/nfs/dbraw/zinc/19/50/66/554195066.db2.gz	ZPMJJGDQAITEPS-IUODEOHRSA-N	1	1	352.866	2.067	20	30		FEEDMO
CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1	ZINC000330964433	554195069	/nfs/dbraw/zinc/19/50/69/554195069.db2.gz	ZPMJJGDQAITEPS-IUODEOHRSA-N	1	1	352.866	2.067	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)CC)s2)C1	ZINC000330994587	554198617	/nfs/dbraw/zinc/19/86/17/554198617.db2.gz	TYGUGUBWQROHNM-GFCCVEGCSA-N	1	1	359.517	2.030	20	30		FEEDMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)Nc2ccc(F)cc2Cl)CC1	ZINC000331005867	554199986	/nfs/dbraw/zinc/19/99/86/554199986.db2.gz	HMMCKEVPTNUSLJ-UHFFFAOYSA-N	1	1	356.829	2.121	20	30		FEEDMO
COc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)ccc1OC(C)C	ZINC000331005886	554200103	/nfs/dbraw/zinc/20/01/03/554200103.db2.gz	SIRLTARHXKAFNY-HNNXBMFYSA-N	1	1	350.463	2.054	20	30		FEEDMO
CC(=O)Nc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(Cl)c1	ZINC000331026404	554202796	/nfs/dbraw/zinc/20/27/96/554202796.db2.gz	PDCKMNHCOCFAJE-RYUDHWBXSA-N	1	1	368.865	2.231	20	30		FEEDMO
CC(=O)Nc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c(Cl)c1	ZINC000331026404	554202797	/nfs/dbraw/zinc/20/27/97/554202797.db2.gz	PDCKMNHCOCFAJE-RYUDHWBXSA-N	1	1	368.865	2.231	20	30		FEEDMO
CC(=O)Nc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(Cl)c1	ZINC000331026402	554202953	/nfs/dbraw/zinc/20/29/53/554202953.db2.gz	PDCKMNHCOCFAJE-NEPJUHHUSA-N	1	1	368.865	2.231	20	30		FEEDMO
CC(=O)Nc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c(Cl)c1	ZINC000331026402	554202955	/nfs/dbraw/zinc/20/29/55/554202955.db2.gz	PDCKMNHCOCFAJE-NEPJUHHUSA-N	1	1	368.865	2.231	20	30		FEEDMO
Cc1c(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cccc1[N+](=O)[O-]	ZINC000331100957	554213495	/nfs/dbraw/zinc/21/34/95/554213495.db2.gz	ONRDDGSEJFWXRM-CYBMUJFWSA-N	1	1	364.446	2.094	20	30		FEEDMO
Cc1cccc(Br)c1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1	ZINC000331113131	554215703	/nfs/dbraw/zinc/21/57/03/554215703.db2.gz	JELGBMCOYFBUKC-MRXNPFEDSA-N	1	1	371.275	2.145	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000508587765	561766875	/nfs/dbraw/zinc/76/68/75/561766875.db2.gz	MBRUSTQGSXUVDY-UHFFFAOYSA-N	1	1	372.400	2.209	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc(OC(F)F)n(C)n2)C1	ZINC000331177330	554226526	/nfs/dbraw/zinc/22/65/26/554226526.db2.gz	KLMLOELSZGGFIW-NSHDSACASA-N	1	1	359.421	2.858	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000331191453	554228191	/nfs/dbraw/zinc/22/81/91/554228191.db2.gz	LHLVFKBKECZZIG-LBPRGKRZSA-N	1	1	372.288	2.083	20	30		FEEDMO
Cc1c(CS(C)(=O)=O)cccc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000331228865	554233610	/nfs/dbraw/zinc/23/36/10/554233610.db2.gz	CGMAJRVAZUZTIL-BBRMVZONSA-N	1	1	367.515	2.500	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCc1cccc(F)c1F	ZINC000331238889	554234825	/nfs/dbraw/zinc/23/48/25/554234825.db2.gz	VZPLNEPHLDPOPX-ZDUSSCGKSA-N	1	1	355.429	2.198	20	30		FEEDMO
C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1	ZINC000331241563	554235551	/nfs/dbraw/zinc/23/55/51/554235551.db2.gz	JZZADGHQMOQDPA-HLLBOEOZSA-N	1	1	373.563	2.451	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2cn(C)nc2C(F)(F)F)C1	ZINC000331320112	554246494	/nfs/dbraw/zinc/24/64/94/554246494.db2.gz	IYHPCQPHZXKVFV-NSHDSACASA-N	1	1	363.384	2.122	20	30		FEEDMO
CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000509287084	561793842	/nfs/dbraw/zinc/79/38/42/561793842.db2.gz	NAVWBJCPXREBPP-FUHWJXTLSA-N	1	1	366.531	2.211	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000509502906	561802593	/nfs/dbraw/zinc/80/25/93/561802593.db2.gz	KDBWUYZBTRGEJT-UHFFFAOYSA-N	1	1	355.417	2.235	20	30		FEEDMO
C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+]1CCC(C)(C#N)CC1	ZINC000332062004	554372443	/nfs/dbraw/zinc/37/24/43/554372443.db2.gz	YHQQQDBNKACRHQ-CVEARBPZSA-N	1	1	357.454	2.299	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@@H](C)[N@H+](C)C[C@@H]3C)C2)n1	ZINC000509673220	561809963	/nfs/dbraw/zinc/80/99/63/561809963.db2.gz	YJPSJPKOSZPUIK-RYRKJORJSA-N	1	1	355.486	2.029	20	30		FEEDMO
C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000332522129	554462253	/nfs/dbraw/zinc/46/22/53/554462253.db2.gz	ZOLWFGXJYPZGOG-OCCSQVGLSA-N	1	1	360.845	2.235	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000332522129	554462255	/nfs/dbraw/zinc/46/22/55/554462255.db2.gz	ZOLWFGXJYPZGOG-OCCSQVGLSA-N	1	1	360.845	2.235	20	30		FEEDMO
C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C1	ZINC000332536626	554466655	/nfs/dbraw/zinc/46/66/55/554466655.db2.gz	UTFUKXFOTMECMX-KDURUIRLSA-N	1	1	368.525	2.375	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]1	ZINC000610562950	554529425	/nfs/dbraw/zinc/52/94/25/554529425.db2.gz	MDHNCQXRPDFGMO-INIZCTEOSA-N	1	1	352.442	2.325	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]1	ZINC000610562950	554529427	/nfs/dbraw/zinc/52/94/27/554529427.db2.gz	MDHNCQXRPDFGMO-INIZCTEOSA-N	1	1	352.442	2.325	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)C2)n1	ZINC000333055686	554565897	/nfs/dbraw/zinc/56/58/97/554565897.db2.gz	MDUYQCQIKWDSIK-NJAFHUGGSA-N	1	1	367.497	2.220	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1=O	ZINC000348513879	554687654	/nfs/dbraw/zinc/68/76/54/554687654.db2.gz	ONAOBSNRQIBHCF-HOCLYGCPSA-N	1	1	363.483	2.083	20	30		FEEDMO
CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)N=c2ccn(CCC#N)[nH]2)C1	ZINC000360426914	554874507	/nfs/dbraw/zinc/87/45/07/554874507.db2.gz	TXDJBMPJEZPKGK-HNNXBMFYSA-N	1	1	355.446	2.986	20	30		FEEDMO
Cc1nc(C2CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n[nH]1	ZINC000360471954	554876074	/nfs/dbraw/zinc/87/60/74/554876074.db2.gz	GODNCUWWJIRFCQ-GOSISDBHSA-N	1	1	364.453	2.360	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1	ZINC000511624337	561874923	/nfs/dbraw/zinc/87/49/23/561874923.db2.gz	CEBXSLYLQBHBEV-NWDGAFQWSA-N	1	1	361.389	2.441	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1	ZINC000362776207	554987699	/nfs/dbraw/zinc/98/76/99/554987699.db2.gz	TYBXMUYGDHOTDU-GOSISDBHSA-N	1	1	354.454	2.364	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1	ZINC000363104310	555031625	/nfs/dbraw/zinc/03/16/25/555031625.db2.gz	NSMGKOIPIMRDKI-PZJWPPBQSA-N	1	1	368.481	2.489	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C	ZINC000363418148	555100400	/nfs/dbraw/zinc/10/04/00/555100400.db2.gz	MVIXZKQAVXEZDU-PBWTXFEYSA-N	1	1	371.481	2.331	20	30		FEEDMO
N#CCCn1ccc(=NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]1	ZINC000363424916	555102369	/nfs/dbraw/zinc/10/23/69/555102369.db2.gz	WDNDHBPXEWGPAC-SFHVURJKSA-N	1	1	366.469	2.830	20	30		FEEDMO
COC(=O)[C@H](N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1cccc(C#N)c1	ZINC000363707154	555168821	/nfs/dbraw/zinc/16/88/21/555168821.db2.gz	PSTIWXUNFLYMIH-HUYLIWGRSA-N	1	1	371.481	2.251	20	30		FEEDMO
CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)C2(C#N)CCOCC2)C1	ZINC000363758638	555180242	/nfs/dbraw/zinc/18/02/42/555180242.db2.gz	DMZYNFFPRYDRAM-UHFFFAOYSA-N	1	1	357.454	2.074	20	30		FEEDMO
CC(C)N1CCN([C@@H]2CC[N@H+](CCCOc3cccc(C#N)c3)C2)CC1	ZINC000363853019	555199595	/nfs/dbraw/zinc/19/95/95/555199595.db2.gz	PFQZUFUXZFRROS-HXUWFJFHSA-N	1	1	356.514	2.427	20	30		FEEDMO
CC(C)N1CCN([C@@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1	ZINC000363853019	555199597	/nfs/dbraw/zinc/19/95/97/555199597.db2.gz	PFQZUFUXZFRROS-HXUWFJFHSA-N	1	1	356.514	2.427	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000363870999	555203227	/nfs/dbraw/zinc/20/32/27/555203227.db2.gz	YYOGLUWFZBVQIR-ROUUACIJSA-N	1	1	352.523	2.196	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[N@H+]([C@@H](C)CO)CC1	ZINC000364215954	555271933	/nfs/dbraw/zinc/27/19/33/555271933.db2.gz	QRJZNNSVINARKM-DLBZAZTESA-N	1	1	365.543	2.040	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CC=C(c2cncc3ccccc32)CC1	ZINC000364278974	555283455	/nfs/dbraw/zinc/28/34/55/555283455.db2.gz	LHGHFDSWDVGIQB-UHFFFAOYSA-N	1	1	350.422	2.336	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CC=C(c2cncc3ccccc32)CC1	ZINC000364278974	555283458	/nfs/dbraw/zinc/28/34/58/555283458.db2.gz	LHGHFDSWDVGIQB-UHFFFAOYSA-N	1	1	350.422	2.336	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4C#N)C3)[C@H]2C1	ZINC000364990312	555458581	/nfs/dbraw/zinc/45/85/81/555458581.db2.gz	WLBRYUXFCPDENO-POAQFYNOSA-N	1	1	367.497	2.263	20	30		FEEDMO
CC(C)c1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000365429185	555573012	/nfs/dbraw/zinc/57/30/12/555573012.db2.gz	RFRHRJLRGPDSFT-AWEZNQCLSA-N	1	1	359.455	2.299	20	30		FEEDMO
C[C@@]1(C2CC[NH+](Cc3ccc(F)c(C#N)c3Cl)CC2)NC(=O)NC1=O	ZINC000365456498	555580198	/nfs/dbraw/zinc/58/01/98/555580198.db2.gz	HSNCQFKUGITHEX-KRWDZBQOSA-N	1	1	364.808	2.161	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000513464648	561939283	/nfs/dbraw/zinc/93/92/83/561939283.db2.gz	BEJMLKJONPZZDB-UHFFFAOYSA-N	1	1	374.466	2.089	20	30		FEEDMO
CCC[N@H+]1CCCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1	ZINC000366370178	555824439	/nfs/dbraw/zinc/82/44/39/555824439.db2.gz	JKGAWGVKAXBINU-UHFFFAOYSA-N	1	1	359.474	2.015	20	30		FEEDMO
O=C(NCC#Cc1cccc(F)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000513924162	561955031	/nfs/dbraw/zinc/95/50/31/561955031.db2.gz	OYBKJNNXUZCJBJ-HXUWFJFHSA-N	1	1	352.409	2.194	20	30		FEEDMO
O=C(NCC#Cc1cccc(F)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000513924162	561955033	/nfs/dbraw/zinc/95/50/33/561955033.db2.gz	OYBKJNNXUZCJBJ-HXUWFJFHSA-N	1	1	352.409	2.194	20	30		FEEDMO
O=C(NCC#Cc1cccc(F)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000513924161	561955081	/nfs/dbraw/zinc/95/50/81/561955081.db2.gz	OYBKJNNXUZCJBJ-FQEVSTJZSA-N	1	1	352.409	2.194	20	30		FEEDMO
O=C(NCC#Cc1cccc(F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000513924161	561955082	/nfs/dbraw/zinc/95/50/82/561955082.db2.gz	OYBKJNNXUZCJBJ-FQEVSTJZSA-N	1	1	352.409	2.194	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1	ZINC000366702566	555913253	/nfs/dbraw/zinc/91/32/53/555913253.db2.gz	OMRQZNRXTPDAMU-CADBVGFASA-N	1	1	358.486	2.355	20	30		FEEDMO
Cn1ccnc1C[NH+]1CCC(C(=O)NC2(c3cccc(C#N)c3)CC2)CC1	ZINC000366763621	555927896	/nfs/dbraw/zinc/92/78/96/555927896.db2.gz	DZORFVNYLUISNN-UHFFFAOYSA-N	1	1	363.465	2.309	20	30		FEEDMO
N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000367279310	556006674	/nfs/dbraw/zinc/00/66/74/556006674.db2.gz	UKNZIOMKTUMRBC-GFCCVEGCSA-N	1	1	362.355	2.435	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000367490243	556064559	/nfs/dbraw/zinc/06/45/59/556064559.db2.gz	RJUOCIABOPEYSV-AHRSYUTCSA-N	1	1	365.481	2.254	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)cc1	ZINC000367532343	556075942	/nfs/dbraw/zinc/07/59/42/556075942.db2.gz	ZOAZWOAUUXWIRX-RTWAWAEBSA-N	1	1	363.461	2.272	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)[C@]1(C#N)CCc2ccccc2C1)N1CC[NH+](C)CC1	ZINC000367571753	556086347	/nfs/dbraw/zinc/08/63/47/556086347.db2.gz	XYNIJQDKMXAPOL-IFMALSPDSA-N	1	1	368.525	2.073	20	30		FEEDMO
CC(C)(C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(F)cc(C#N)c1	ZINC000367691747	556116313	/nfs/dbraw/zinc/11/63/13/556116313.db2.gz	VSRQJJLTYBLDAG-ZWKOTPCHSA-N	1	1	359.445	2.344	20	30		FEEDMO
CC(C)(C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(F)cc(C#N)c1	ZINC000367691747	556116314	/nfs/dbraw/zinc/11/63/14/556116314.db2.gz	VSRQJJLTYBLDAG-ZWKOTPCHSA-N	1	1	359.445	2.344	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCC(C)(C)C#N)C[C@H]2[C@H]1c1ccccc1	ZINC000367708604	556120234	/nfs/dbraw/zinc/12/02/34/556120234.db2.gz	VFRYSNKGNLUDBW-KZNAEPCWSA-N	1	1	361.511	2.491	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@H](CC(N)=O)C3)sc2C1	ZINC000367987555	556188726	/nfs/dbraw/zinc/18/87/26/556188726.db2.gz	FTXGFCFIOOMGTM-QWHCGFSZSA-N	1	1	374.510	2.270	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](Cc2nnc3ccccn32)C1	ZINC000368655604	556375259	/nfs/dbraw/zinc/37/52/59/556375259.db2.gz	MZUFQHQMVXPEMZ-QGZVFWFLSA-N	1	1	353.470	2.184	20	30		FEEDMO
CC(C)(C#N)CCC[N@H+]1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1	ZINC000369030789	556482385	/nfs/dbraw/zinc/48/23/85/556482385.db2.gz	MZOPBURCYUHCIC-KRWDZBQOSA-N	1	1	373.501	2.047	20	30		FEEDMO
CN1CCC([N@@H+]2CC[C@H](NC(=O)CSCc3ccc(C#N)cc3)C2)CC1	ZINC000369277363	556561547	/nfs/dbraw/zinc/56/15/47/556561547.db2.gz	LPNQBBKBXYFZHW-SFHVURJKSA-N	1	1	372.538	2.076	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@H](NC(=O)CSCc3ccc(C#N)cc3)C2)CC1	ZINC000369277363	556561550	/nfs/dbraw/zinc/56/15/50/556561550.db2.gz	LPNQBBKBXYFZHW-SFHVURJKSA-N	1	1	372.538	2.076	20	30		FEEDMO
CN(C(=O)[C@@H]1CC12CC[NH+](CC(=O)Nc1cccc(C#N)c1)CC2)C1CC1	ZINC000369501614	556612889	/nfs/dbraw/zinc/61/28/89/556612889.db2.gz	CNKRYSWUYHFXML-SFHVURJKSA-N	1	1	366.465	2.220	20	30		FEEDMO
N#CC[C@H](CC(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1	ZINC000369530088	556622178	/nfs/dbraw/zinc/62/21/78/556622178.db2.gz	GFRSGFWFKYMIGG-IEBWSBKVSA-N	1	1	368.481	2.015	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)NCC1([NH+]2CCOCC2)CCCC1	ZINC000369689447	556669038	/nfs/dbraw/zinc/66/90/38/556669038.db2.gz	YQHWGVFBBGZFLI-MRXNPFEDSA-N	1	1	357.454	2.087	20	30		FEEDMO
COc1cc(C[N@@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)ccc1C#N	ZINC000369713838	556675715	/nfs/dbraw/zinc/67/57/15/556675715.db2.gz	FOVKJAPWBSLGOQ-UHFFFAOYSA-N	1	1	370.497	2.085	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)n1	ZINC000369784721	556694366	/nfs/dbraw/zinc/69/43/66/556694366.db2.gz	QJSMRBCKWJMXBN-KRWDZBQOSA-N	1	1	358.490	2.044	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)n1	ZINC000369784721	556694367	/nfs/dbraw/zinc/69/43/67/556694367.db2.gz	QJSMRBCKWJMXBN-KRWDZBQOSA-N	1	1	358.490	2.044	20	30		FEEDMO
Cc1cc(CN2CCC([N@@H+](C)CC(=O)Nc3cccc(C#N)c3)CC2)on1	ZINC000369907033	556726946	/nfs/dbraw/zinc/72/69/46/556726946.db2.gz	UWSIANDLKKQVKN-UHFFFAOYSA-N	1	1	367.453	2.390	20	30		FEEDMO
Cc1cc(C[NH+]2CCC(N(C)CC(=O)Nc3cccc(C#N)c3)CC2)on1	ZINC000369907033	556726947	/nfs/dbraw/zinc/72/69/47/556726947.db2.gz	UWSIANDLKKQVKN-UHFFFAOYSA-N	1	1	367.453	2.390	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)CC1	ZINC000369994801	556751996	/nfs/dbraw/zinc/75/19/96/556751996.db2.gz	IXNLIRLMFHBKBZ-IBGZPJMESA-N	1	1	353.510	2.455	20	30		FEEDMO
C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C	ZINC000516514639	562045605	/nfs/dbraw/zinc/04/56/05/562045605.db2.gz	CEXHMYAGACHDMY-PMPSAXMXSA-N	1	1	351.495	2.107	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000370237608	556818565	/nfs/dbraw/zinc/81/85/65/556818565.db2.gz	ZMNZJEPXAOLGAL-IXDOHACOSA-N	1	1	372.494	2.200	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000370237608	556818566	/nfs/dbraw/zinc/81/85/66/556818566.db2.gz	ZMNZJEPXAOLGAL-IXDOHACOSA-N	1	1	372.494	2.200	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)nc3)[C@H](C)C2)s1	ZINC000370962499	557028888	/nfs/dbraw/zinc/02/88/88/557028888.db2.gz	OOJYOIPZWKLUOC-PXAZEXFGSA-N	1	1	355.467	2.359	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC2(CCOC2=O)CC1	ZINC000371152566	557090204	/nfs/dbraw/zinc/09/02/04/557090204.db2.gz	XZSNCCLWOLXZIE-OAHLLOKOSA-N	1	1	373.428	2.490	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000371292790	557134324	/nfs/dbraw/zinc/13/43/24/557134324.db2.gz	RXJHFNYLOXAMGY-BEFAXECRSA-N	1	1	367.453	2.482	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1	ZINC000371337884	557151653	/nfs/dbraw/zinc/15/16/53/557151653.db2.gz	ZZTRPQQQPJHIQM-DKSSEZFCSA-N	1	1	367.453	2.207	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1	ZINC000371337884	557151654	/nfs/dbraw/zinc/15/16/54/557151654.db2.gz	ZZTRPQQQPJHIQM-DKSSEZFCSA-N	1	1	367.453	2.207	20	30		FEEDMO
COc1ccnc(N2CCC[N@@H+](Cc3ccc(O[C@@H](C)C#N)cc3)CC2)n1	ZINC000371421262	557181671	/nfs/dbraw/zinc/18/16/71/557181671.db2.gz	PIQWOGPNFDXSER-INIZCTEOSA-N	1	1	367.453	2.488	20	30		FEEDMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1	ZINC000517589607	562093278	/nfs/dbraw/zinc/09/32/78/562093278.db2.gz	STZASGIRCSSYJL-KRWDZBQOSA-N	1	1	355.486	2.379	20	30		FEEDMO
CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1	ZINC000371610038	557239011	/nfs/dbraw/zinc/23/90/11/557239011.db2.gz	YRZQQQBFWCZAGR-NSHDSACASA-N	1	1	365.484	2.094	20	30		FEEDMO
CS(=O)(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC000371610038	557239013	/nfs/dbraw/zinc/23/90/13/557239013.db2.gz	YRZQQQBFWCZAGR-NSHDSACASA-N	1	1	365.484	2.094	20	30		FEEDMO
C=CCOCCNC(=O)N(C)[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000371631255	557245371	/nfs/dbraw/zinc/24/53/71/557245371.db2.gz	BOXXAYDRABLRFV-MJGOQNOKSA-N	1	1	361.486	2.120	20	30		FEEDMO
C=CCOCCNC(=O)N(C)[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000371631255	557245373	/nfs/dbraw/zinc/24/53/73/557245373.db2.gz	BOXXAYDRABLRFV-MJGOQNOKSA-N	1	1	361.486	2.120	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000371765905	557287273	/nfs/dbraw/zinc/28/72/73/557287273.db2.gz	LXLQYCHQEHLKGF-JKSUJKDBSA-N	1	1	358.442	2.332	20	30		FEEDMO
CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OCC	ZINC000518265721	562107391	/nfs/dbraw/zinc/10/73/91/562107391.db2.gz	UAWJENYRFBHUNR-CQSZACIVSA-N	1	1	360.458	2.132	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1	ZINC000518559619	562114244	/nfs/dbraw/zinc/11/42/44/562114244.db2.gz	CLDYYUIICJYWGP-LSDHHAIUSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1	ZINC000518559619	562114245	/nfs/dbraw/zinc/11/42/45/562114245.db2.gz	CLDYYUIICJYWGP-LSDHHAIUSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1	ZINC000518559616	562114348	/nfs/dbraw/zinc/11/43/48/562114348.db2.gz	CLDYYUIICJYWGP-CABCVRRESA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1	ZINC000518559616	562114349	/nfs/dbraw/zinc/11/43/49/562114349.db2.gz	CLDYYUIICJYWGP-CABCVRRESA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCC(=O)Nc1sccc1C#N	ZINC000372360895	557449649	/nfs/dbraw/zinc/44/96/49/557449649.db2.gz	XQTAKGZBFYDTPI-FVQBIDKESA-N	1	1	362.499	2.037	20	30		FEEDMO
CCN(C[C@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1)CC(F)(F)F	ZINC000519156731	562126154	/nfs/dbraw/zinc/12/61/54/562126154.db2.gz	IUQOPZMLJDGWSC-CYBMUJFWSA-N	1	1	366.391	2.307	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNC(=O)[C@]2(C#N)CCc3ccccc3C2)CCCO1	ZINC000372894316	557583710	/nfs/dbraw/zinc/58/37/10/557583710.db2.gz	ZCDPBVVPUTZLGX-LAUBAEHRSA-N	1	1	355.482	2.302	20	30		FEEDMO
N#Cc1c(F)ccc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1Cl	ZINC000372993242	557605683	/nfs/dbraw/zinc/60/56/83/557605683.db2.gz	PEEZFQYQZISDNT-HNNXBMFYSA-N	1	1	351.809	2.220	20	30		FEEDMO
CN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4O[C@@H](CC#N)C[C@@H]43)cn2)CC1	ZINC000373223027	557652949	/nfs/dbraw/zinc/65/29/49/557652949.db2.gz	GBQIIJBCNZGLQZ-NMLBUPMWSA-N	1	1	369.513	2.163	20	30		FEEDMO
C=CCCCCC[N@H+]1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1	ZINC000373292575	557666683	/nfs/dbraw/zinc/66/66/83/557666683.db2.gz	JSIVBTKEUBMHGG-SFHVURJKSA-N	1	1	360.502	2.463	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)n1	ZINC000373411950	557689034	/nfs/dbraw/zinc/68/90/34/557689034.db2.gz	KBBNTSSNCVNQDI-UHFFFAOYSA-N	1	1	353.342	2.036	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1	ZINC000373675024	557736702	/nfs/dbraw/zinc/73/67/02/557736702.db2.gz	RAGYQIPUFDKXFJ-RDTXWAMCSA-N	1	1	363.483	2.226	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1	ZINC000373675024	557736703	/nfs/dbraw/zinc/73/67/03/557736703.db2.gz	RAGYQIPUFDKXFJ-RDTXWAMCSA-N	1	1	363.483	2.226	20	30		FEEDMO
CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000520843318	562165003	/nfs/dbraw/zinc/16/50/03/562165003.db2.gz	QFKGAAHEJQUXAK-HNNXBMFYSA-N	1	1	374.510	2.477	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000374307720	557863020	/nfs/dbraw/zinc/86/30/20/557863020.db2.gz	IGHOHYZXQNQWOH-QZTJIDSGSA-N	1	1	365.433	2.160	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000375748699	558076647	/nfs/dbraw/zinc/07/66/47/558076647.db2.gz	JOYAYTZWFWGNHV-VNTMZGSJSA-N	1	1	358.482	2.109	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)C1	ZINC000375757643	558078223	/nfs/dbraw/zinc/07/82/23/558078223.db2.gz	MCJRQVMFKGMJFO-IBGZPJMESA-N	1	1	372.488	2.213	20	30		FEEDMO
CCC[NH+]1CCN(C2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)CC1	ZINC000376223535	558144007	/nfs/dbraw/zinc/14/40/07/558144007.db2.gz	XLEZLBWYXPONNZ-UHFFFAOYSA-N	1	1	372.473	2.045	20	30		FEEDMO
Cc1ccn2c(c1)nnc2C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000376234222	558145329	/nfs/dbraw/zinc/14/53/29/558145329.db2.gz	ZQXHHWSTEUAOFO-FQEVSTJZSA-N	1	1	366.469	2.026	20	30		FEEDMO
CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1	ZINC000376630055	558200048	/nfs/dbraw/zinc/20/00/48/558200048.db2.gz	YTTQORPFJTYRNV-GOSISDBHSA-N	1	1	360.502	2.052	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1cc(C)no1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000521809003	562183953	/nfs/dbraw/zinc/18/39/53/562183953.db2.gz	SNHQGXBCRJPRMG-AWEZNQCLSA-N	1	1	367.413	2.146	20	30		FEEDMO
C=CC[N@@H+](CC(=O)Nc1cc(C)no1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000521809003	562183954	/nfs/dbraw/zinc/18/39/54/562183954.db2.gz	SNHQGXBCRJPRMG-AWEZNQCLSA-N	1	1	367.413	2.146	20	30		FEEDMO
COc1cc(/C=C/C(=O)NCc2c[nH+]c3n2CCCC3)ccc1OCC#N	ZINC000376717582	558212868	/nfs/dbraw/zinc/21/28/68/558212868.db2.gz	RXRSSQMUNDOWAC-SOFGYWHQSA-N	1	1	366.421	2.460	20	30		FEEDMO
Cc1cc(C#N)cc(N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1	ZINC000377158617	558278377	/nfs/dbraw/zinc/27/83/77/558278377.db2.gz	MITIDEZUSDEWLB-QGZVFWFLSA-N	1	1	371.485	2.393	20	30		FEEDMO
CCc1nc(CN2C[C@@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@@H]3C2)no1	ZINC000377431377	558339653	/nfs/dbraw/zinc/33/96/53/558339653.db2.gz	HXNUQXWGZVUGPS-IYBDPMFKSA-N	1	1	355.417	2.207	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1OC	ZINC000377472991	558346975	/nfs/dbraw/zinc/34/69/75/558346975.db2.gz	PZWIBOOHIXICIC-AZGCOUAMSA-N	1	1	372.465	2.253	20	30		FEEDMO
C=CCN(C(=O)c1cc2n(n1)CCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000377957484	558452172	/nfs/dbraw/zinc/45/21/72/558452172.db2.gz	GLCDINWOUYQMKG-QGZVFWFLSA-N	1	1	352.438	2.178	20	30		FEEDMO
Cc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)n(CCC#N)n1	ZINC000523340558	562211564	/nfs/dbraw/zinc/21/15/64/562211564.db2.gz	JSQNHMNSSJQNRZ-KRWDZBQOSA-N	1	1	352.442	2.351	20	30		FEEDMO
CN1CCN(c2cc(C[NH2+][C@@H]3CCC[C@@H]4O[C@@H](CC#N)C[C@H]43)ccn2)CC1	ZINC000378466224	558564250	/nfs/dbraw/zinc/56/42/50/558564250.db2.gz	ZQUWVVFZAGUKQB-HAGHYFMRSA-N	1	1	369.513	2.163	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1C#N	ZINC000379455375	558601938	/nfs/dbraw/zinc/60/19/38/558601938.db2.gz	MXHIICXLQJXTPQ-GOSISDBHSA-N	1	1	370.478	2.205	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NCCC[N@H+](C)Cc2ccccc2)cc1C#N	ZINC000386145129	558607006	/nfs/dbraw/zinc/60/70/06/558607006.db2.gz	OEJJMKIYAXCDFB-UHFFFAOYSA-N	1	1	358.467	2.062	20	30		FEEDMO
C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[NH+]1CCC(C)(C#N)CC1	ZINC000408160347	558652659	/nfs/dbraw/zinc/65/26/59/558652659.db2.gz	VHRHNEFCDCWPAM-MRXNPFEDSA-N	1	1	356.470	2.055	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C[C@H]21	ZINC000408332652	558667257	/nfs/dbraw/zinc/66/72/57/558667257.db2.gz	YDNHNFFCMYFFIX-MOPGFXCFSA-N	1	1	351.454	2.003	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)n1cnc(C#N)n1	ZINC000409458573	558694030	/nfs/dbraw/zinc/69/40/30/558694030.db2.gz	IASSKIMLSIFNES-HOTGVXAUSA-N	1	1	366.469	2.259	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C	ZINC000409509287	558698950	/nfs/dbraw/zinc/69/89/50/558698950.db2.gz	IWJLGHWJVVRWFV-GOSISDBHSA-N	1	1	366.531	2.213	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1	ZINC000409584805	558705229	/nfs/dbraw/zinc/70/52/29/558705229.db2.gz	YQTPPKYFUPKXSF-GOSISDBHSA-N	1	1	364.515	2.111	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)[C@H](C)C1	ZINC000409734525	558717541	/nfs/dbraw/zinc/71/75/41/558717541.db2.gz	WVEQZJQUCDCYAY-LLVKDONJSA-N	1	1	356.348	2.046	20	30		FEEDMO
CCN(C(=O)[C@H](C)n1cnc(C#N)n1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000409841660	558722312	/nfs/dbraw/zinc/72/23/12/558722312.db2.gz	XGQYPUOUWUMMJB-BQFCYCMXSA-N	1	1	366.469	2.395	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1	ZINC000410160304	558742991	/nfs/dbraw/zinc/74/29/91/558742991.db2.gz	YDYYHLDSQFUSNC-DLBZAZTESA-N	1	1	366.531	2.213	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1	ZINC000410160306	558742999	/nfs/dbraw/zinc/74/29/99/558742999.db2.gz	YDYYHLDSQFUSNC-IRXDYDNUSA-N	1	1	366.531	2.213	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1	ZINC000410161737	558743379	/nfs/dbraw/zinc/74/33/79/558743379.db2.gz	LYVGCVCSRQOCBA-SJLPKXTDSA-N	1	1	370.563	2.347	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000410870913	558818317	/nfs/dbraw/zinc/81/83/17/558818317.db2.gz	JKAIKESLVJPDCM-IBGZPJMESA-N	1	1	357.498	2.392	20	30		FEEDMO
CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC[N@@H+]1Cc1ccccc1	ZINC000410922082	558824314	/nfs/dbraw/zinc/82/43/14/558824314.db2.gz	BGVZEKAVIAFSII-MJGOQNOKSA-N	1	1	370.497	2.118	20	30		FEEDMO
CCC[C@H]1CN(C(=O)C(=O)N(C)C[C@H](C)C#N)CC[N@H+]1Cc1ccccc1	ZINC000410922082	558824315	/nfs/dbraw/zinc/82/43/15/558824315.db2.gz	BGVZEKAVIAFSII-MJGOQNOKSA-N	1	1	370.497	2.118	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000413298787	559096922	/nfs/dbraw/zinc/09/69/22/559096922.db2.gz	SWLNEXVCHNNSFH-MOPGFXCFSA-N	1	1	372.513	2.060	20	30		FEEDMO
C[N@@H+]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H](c2ccccc2)C1	ZINC000414468469	559166664	/nfs/dbraw/zinc/16/66/64/559166664.db2.gz	YPWNBIBLRPKHTE-SJLPKXTDSA-N	1	1	359.426	2.073	20	30		FEEDMO
C[N@H+]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)[C@@H](c2ccccc2)C1	ZINC000414468469	559166665	/nfs/dbraw/zinc/16/66/65/559166665.db2.gz	YPWNBIBLRPKHTE-SJLPKXTDSA-N	1	1	359.426	2.073	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000527048443	562274516	/nfs/dbraw/zinc/27/45/16/562274516.db2.gz	SRFDRPDFHKGIBF-IAGOWNOFSA-N	1	1	368.481	2.079	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1	ZINC000527103176	562276545	/nfs/dbraw/zinc/27/65/45/562276545.db2.gz	PUEROWNKTLIDSB-FAEJEUNOSA-N	1	1	371.485	2.284	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1cc(Br)ccc1C#N)C1CC1	ZINC000416380061	559308713	/nfs/dbraw/zinc/30/87/13/559308713.db2.gz	AKIYLLAHNGPFNH-UHFFFAOYSA-N	1	1	372.288	2.083	20	30		FEEDMO
COC(=O)[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@@H+](C)C1	ZINC000416759651	559331538	/nfs/dbraw/zinc/33/15/38/559331538.db2.gz	MQDWEORVKAMUBM-AWEZNQCLSA-N	1	1	358.442	2.056	20	30		FEEDMO
CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1	ZINC000419402594	559440728	/nfs/dbraw/zinc/44/07/28/559440728.db2.gz	CHUWWTBHCOZBMN-HXUWFJFHSA-N	1	1	369.513	2.261	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)NCC2(C#N)CCC2)[C@@H](c2ccccc2)C1	ZINC000419417605	559441261	/nfs/dbraw/zinc/44/12/61/559441261.db2.gz	HWPPCAQSFARGTF-LJQANCHMSA-N	1	1	369.513	2.358	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)NCC2(C#N)CCC2)[C@@H](c2ccccc2)C1	ZINC000419417605	559441262	/nfs/dbraw/zinc/44/12/62/559441262.db2.gz	HWPPCAQSFARGTF-LJQANCHMSA-N	1	1	369.513	2.358	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)NCC2(C#N)CCC2)[C@@H](c2ccccc2)C1	ZINC000419417605	559441263	/nfs/dbraw/zinc/44/12/63/559441263.db2.gz	HWPPCAQSFARGTF-LJQANCHMSA-N	1	1	369.513	2.358	20	30		FEEDMO
C=CCC[C@H]1NC(=O)N(CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C1=O	ZINC000419994644	559468239	/nfs/dbraw/zinc/46/82/39/559468239.db2.gz	HMNRJIZWQBNWMO-MRXNPFEDSA-N	1	1	360.458	2.390	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C	ZINC000420762077	559502930	/nfs/dbraw/zinc/50/29/30/559502930.db2.gz	HZPBTZYXMMUVNB-ROUUACIJSA-N	1	1	369.465	2.302	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000527299981	562284194	/nfs/dbraw/zinc/28/41/94/562284194.db2.gz	PVAIQQQAGRNFEJ-CVEARBPZSA-N	1	1	370.501	2.135	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000527299981	562284195	/nfs/dbraw/zinc/28/41/95/562284195.db2.gz	PVAIQQQAGRNFEJ-CVEARBPZSA-N	1	1	370.501	2.135	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1	ZINC000421021490	559520348	/nfs/dbraw/zinc/52/03/48/559520348.db2.gz	OGBJTMIWRCEQAN-VCBZYWHSSA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1	ZINC000421021490	559520349	/nfs/dbraw/zinc/52/03/49/559520349.db2.gz	OGBJTMIWRCEQAN-VCBZYWHSSA-N	1	1	351.491	2.341	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000422083601	559564169	/nfs/dbraw/zinc/56/41/69/559564169.db2.gz	IXDHFDFFMYLMOF-CEXWTWQISA-N	1	1	355.482	2.033	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422483930	559591147	/nfs/dbraw/zinc/59/11/47/559591147.db2.gz	YKAANAYRCRZGIA-DLBZAZTESA-N	1	1	370.497	2.164	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422483930	559591148	/nfs/dbraw/zinc/59/11/48/559591148.db2.gz	YKAANAYRCRZGIA-DLBZAZTESA-N	1	1	370.497	2.164	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000422493324	559591973	/nfs/dbraw/zinc/59/19/73/559591973.db2.gz	YCKONNBFVWMXAS-UHFFFAOYSA-N	1	1	362.518	2.157	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21	ZINC000422529364	559593162	/nfs/dbraw/zinc/59/31/62/559593162.db2.gz	OYEGQRNIQOQQSB-VAMGGRTRSA-N	1	1	369.509	2.233	20	30		FEEDMO
CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000425385878	559699264	/nfs/dbraw/zinc/69/92/64/559699264.db2.gz	NWRFPCWRXWZDDT-CVEARBPZSA-N	1	1	356.470	2.020	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)nn1	ZINC000425514742	559707271	/nfs/dbraw/zinc/70/72/71/559707271.db2.gz	VHGKTHKDAISVFC-FQEVSTJZSA-N	1	1	368.485	2.318	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1	ZINC000425543038	559708718	/nfs/dbraw/zinc/70/87/18/559708718.db2.gz	RKKKNOUTYMHTPU-QAPCUYQASA-N	1	1	357.454	2.495	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1	ZINC000425543038	559708719	/nfs/dbraw/zinc/70/87/19/559708719.db2.gz	RKKKNOUTYMHTPU-QAPCUYQASA-N	1	1	357.454	2.495	20	30		FEEDMO
C=CCn1cc(CNC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)nn1	ZINC000425659936	559713560	/nfs/dbraw/zinc/71/35/60/559713560.db2.gz	WVMKXVMTRSGWTQ-HNNXBMFYSA-N	1	1	370.457	2.179	20	30		FEEDMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000425848558	559722707	/nfs/dbraw/zinc/72/27/07/559722707.db2.gz	QKHLEPNGPQZQER-ZWKOTPCHSA-N	1	1	355.486	2.142	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000425889709	559724073	/nfs/dbraw/zinc/72/40/73/559724073.db2.gz	VHYYWUAXRSXDKM-MAUKXSAKSA-N	1	1	356.470	2.068	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1	ZINC000425889711	559724077	/nfs/dbraw/zinc/72/40/77/559724077.db2.gz	VHYYWUAXRSXDKM-QAPCUYQASA-N	1	1	356.470	2.068	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C	ZINC000425910556	559725060	/nfs/dbraw/zinc/72/50/60/559725060.db2.gz	WNSIXIJMVVPWFB-MAUKXSAKSA-N	1	1	370.497	2.314	20	30		FEEDMO
CC[N@H+](CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)CCC(F)(F)F	ZINC000426456721	559734794	/nfs/dbraw/zinc/73/47/94/559734794.db2.gz	DTBRXINCYFYFBY-UHFFFAOYSA-N	1	1	374.338	2.026	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)CCC(F)(F)F	ZINC000426456721	559734795	/nfs/dbraw/zinc/73/47/95/559734795.db2.gz	DTBRXINCYFYFBY-UHFFFAOYSA-N	1	1	374.338	2.026	20	30		FEEDMO
CC[N@H+](CCNC(=O)C(=O)Nc1cc(C#N)ccc1C)CCC(F)(F)F	ZINC000426474783	559735138	/nfs/dbraw/zinc/73/51/38/559735138.db2.gz	VMNDEFCLGPBDQD-UHFFFAOYSA-N	1	1	370.375	2.196	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1cc(C#N)ccc1C)CCC(F)(F)F	ZINC000426474783	559735139	/nfs/dbraw/zinc/73/51/39/559735139.db2.gz	VMNDEFCLGPBDQD-UHFFFAOYSA-N	1	1	370.375	2.196	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NCCCc3ccccc3)C2)nc1	ZINC000428780718	559783220	/nfs/dbraw/zinc/78/32/20/559783220.db2.gz	IFRYGGJLBCGQAQ-LJQANCHMSA-N	1	1	364.449	2.155	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NCCCc3ccccc3)C2)nc1	ZINC000428780718	559783221	/nfs/dbraw/zinc/78/32/21/559783221.db2.gz	IFRYGGJLBCGQAQ-LJQANCHMSA-N	1	1	364.449	2.155	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)COc3ccc(Cl)cc3)C2)nc1	ZINC000428792496	559783472	/nfs/dbraw/zinc/78/34/72/559783472.db2.gz	XBMAKMUDVUABQG-WMZOPIPTSA-N	1	1	373.840	2.500	20	30		FEEDMO
Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428816812	559784116	/nfs/dbraw/zinc/78/41/16/559784116.db2.gz	JMGVUULFBAUHPL-APWZRJJASA-N	1	1	364.449	2.420	20	30		FEEDMO
Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000428816812	559784117	/nfs/dbraw/zinc/78/41/17/559784117.db2.gz	JMGVUULFBAUHPL-APWZRJJASA-N	1	1	364.449	2.420	20	30		FEEDMO
Cc1ccc(C)c(C[N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1	ZINC000429289926	559794803	/nfs/dbraw/zinc/79/48/03/559794803.db2.gz	FLIHSPWRCRMGCI-HXUWFJFHSA-N	1	1	356.514	2.428	20	30		FEEDMO
Cc1ccc(C)c(C[N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1	ZINC000429289926	559794804	/nfs/dbraw/zinc/79/48/04/559794804.db2.gz	FLIHSPWRCRMGCI-HXUWFJFHSA-N	1	1	356.514	2.428	20	30		FEEDMO
C[C@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@@H+]1CCO	ZINC000429348295	559796534	/nfs/dbraw/zinc/79/65/34/559796534.db2.gz	ZZCFMFFYJZLPER-NSHDSACASA-N	1	1	356.348	2.107	20	30		FEEDMO
C[C@H]1CN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1CCO	ZINC000429348295	559796535	/nfs/dbraw/zinc/79/65/35/559796535.db2.gz	ZZCFMFFYJZLPER-NSHDSACASA-N	1	1	356.348	2.107	20	30		FEEDMO
C[N@H+](CCCNC(=O)C1CCC1)Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000429543046	559800705	/nfs/dbraw/zinc/80/07/05/559800705.db2.gz	ZYSHBIGSBJKSBO-UHFFFAOYSA-N	1	1	353.426	2.346	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C1CCC1)Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000429543046	559800706	/nfs/dbraw/zinc/80/07/06/559800706.db2.gz	ZYSHBIGSBJKSBO-UHFFFAOYSA-N	1	1	353.426	2.346	20	30		FEEDMO
N#CCC1(CNC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1	ZINC000430181600	559814994	/nfs/dbraw/zinc/81/49/94/559814994.db2.gz	UOAHFVONJDFRAB-UHFFFAOYSA-N	1	1	369.513	2.187	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](CCc1ccccn1)Cc1cccnc1	ZINC000430339245	559818005	/nfs/dbraw/zinc/81/80/05/559818005.db2.gz	CVSVIFQQYZTVIH-UHFFFAOYSA-N	1	1	351.454	2.283	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C	ZINC000431954842	559849271	/nfs/dbraw/zinc/84/92/71/559849271.db2.gz	NPIZCOVGJIUVBK-INIZCTEOSA-N	1	1	356.451	2.286	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+](CCO)[C@H]1CCCSC1	ZINC000433191033	559872873	/nfs/dbraw/zinc/87/28/73/559872873.db2.gz	TXUMTWXCETWQAQ-ZWKOTPCHSA-N	1	1	351.512	2.345	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(C(=O)C3(c4cccc(C#N)c4)CC3)CC2)CCO1	ZINC000435012375	559914138	/nfs/dbraw/zinc/91/41/38/559914138.db2.gz	PNCIDEITTHSBBB-MRXNPFEDSA-N	1	1	353.466	2.302	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)cc1C#N	ZINC000435536028	559924792	/nfs/dbraw/zinc/92/47/92/559924792.db2.gz	IYOPDJFWPHLSBP-UHFFFAOYSA-N	1	1	360.458	2.130	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000439356062	559992928	/nfs/dbraw/zinc/99/29/28/559992928.db2.gz	UJYJTPUFVZTGOQ-AWEZNQCLSA-N	1	1	360.483	2.183	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000442144988	560044810	/nfs/dbraw/zinc/04/48/10/560044810.db2.gz	YWDXKCHEMUHMTB-RBSFLKMASA-N	1	1	374.510	2.476	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C	ZINC000442282870	560047698	/nfs/dbraw/zinc/04/76/98/560047698.db2.gz	JPRJSQLPEKCANO-RBSFLKMASA-N	1	1	374.510	2.428	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C	ZINC000442282870	560047699	/nfs/dbraw/zinc/04/76/99/560047699.db2.gz	JPRJSQLPEKCANO-RBSFLKMASA-N	1	1	374.510	2.428	20	30		FEEDMO
CC1(C)CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000444621437	560116904	/nfs/dbraw/zinc/11/69/04/560116904.db2.gz	ZYUOZBJFEJKYNZ-UHFFFAOYSA-N	1	1	362.861	2.388	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C	ZINC000447922458	560172951	/nfs/dbraw/zinc/17/29/51/560172951.db2.gz	AOJDJVYNKJRSBK-OPYAIIAOSA-N	1	1	373.497	2.037	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C#N)c1Br	ZINC000448905676	560205766	/nfs/dbraw/zinc/20/57/66/560205766.db2.gz	ABWZQNIDVHXXLU-ZDUSSCGKSA-N	1	1	366.259	2.161	20	30		FEEDMO
C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(Br)cc1C#N	ZINC000448970372	560209587	/nfs/dbraw/zinc/20/95/87/560209587.db2.gz	LRPQHRBHXPUSRE-GFCCVEGCSA-N	1	1	366.259	2.161	20	30		FEEDMO
COc1cc(C[N@H+](CCN2CCOCC2)Cc2ccco2)ccc1C#N	ZINC000449762256	560239232	/nfs/dbraw/zinc/23/92/32/560239232.db2.gz	GKBOHSHTSCUQEL-UHFFFAOYSA-N	1	1	355.438	2.494	20	30		FEEDMO
COc1cc(C[N@@H+](CCN2CCOCC2)Cc2ccco2)ccc1C#N	ZINC000449762256	560239233	/nfs/dbraw/zinc/23/92/33/560239233.db2.gz	GKBOHSHTSCUQEL-UHFFFAOYSA-N	1	1	355.438	2.494	20	30		FEEDMO
N#Cc1c(Br)cccc1OCC(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000449831510	560241728	/nfs/dbraw/zinc/24/17/28/560241728.db2.gz	WLWXAZOXEUCHJP-GFCCVEGCSA-N	1	1	364.243	2.006	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1	ZINC000450382324	560260783	/nfs/dbraw/zinc/26/07/83/560260783.db2.gz	WBVCJAZGMBTFTA-RYUDHWBXSA-N	1	1	366.259	2.251	20	30		FEEDMO
C[N@@H+](CCN1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)Cc1ccccc1	ZINC000450611919	560267967	/nfs/dbraw/zinc/26/79/67/560267967.db2.gz	JMCHPDGGDHKCGZ-XMSQKQJNSA-N	1	1	360.461	2.464	20	30		FEEDMO
C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000450615930	560268062	/nfs/dbraw/zinc/26/80/62/560268062.db2.gz	QDGIKWNMMUDTAH-HHRWBCNNSA-N	1	1	361.445	2.496	20	30		FEEDMO
C[C@H](c1ccccc1)[C@H](O)C[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000450615930	560268063	/nfs/dbraw/zinc/26/80/63/560268063.db2.gz	QDGIKWNMMUDTAH-HHRWBCNNSA-N	1	1	361.445	2.496	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451322421	560300158	/nfs/dbraw/zinc/30/01/58/560300158.db2.gz	UDKKYNCMQRNGNM-IAQYHMDHSA-N	1	1	353.875	2.167	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](SC)C1	ZINC000451323633	560300176	/nfs/dbraw/zinc/30/01/76/560300176.db2.gz	VUFAOLYIIKRMBV-HNNXBMFYSA-N	1	1	364.515	2.389	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]1CC[C@H](SC)C1	ZINC000451323633	560300177	/nfs/dbraw/zinc/30/01/77/560300177.db2.gz	VUFAOLYIIKRMBV-HNNXBMFYSA-N	1	1	364.515	2.389	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C	ZINC000451656283	560319919	/nfs/dbraw/zinc/31/99/19/560319919.db2.gz	SVUOVDJFFYGYNF-IFXJQAMLSA-N	1	1	366.469	2.274	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)[C@H](C)C1	ZINC000451680921	560321741	/nfs/dbraw/zinc/32/17/41/560321741.db2.gz	VCUNJJYLELNVES-GFCCVEGCSA-N	1	1	366.259	2.252	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)c1ccccc1	ZINC000451881627	560334168	/nfs/dbraw/zinc/33/41/68/560334168.db2.gz	BDZJBQOVKZVSBJ-CJNGLKHVSA-N	1	1	355.360	2.178	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)c1ccccc1	ZINC000451881627	560334169	/nfs/dbraw/zinc/33/41/69/560334169.db2.gz	BDZJBQOVKZVSBJ-CJNGLKHVSA-N	1	1	355.360	2.178	20	30		FEEDMO
CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N	ZINC000451948764	560340175	/nfs/dbraw/zinc/34/01/75/560340175.db2.gz	VGXNHSAASZUGHF-FVQBIDKESA-N	1	1	363.483	2.270	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1	ZINC000451996014	560343765	/nfs/dbraw/zinc/34/37/65/560343765.db2.gz	PBYPZIIMWGKZII-QXAKKESOSA-N	1	1	356.466	2.464	20	30		FEEDMO
C=CCn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1	ZINC000453455663	560387145	/nfs/dbraw/zinc/38/71/45/560387145.db2.gz	XQBSLVJNYYCZHC-HOTGVXAUSA-N	1	1	351.495	2.107	20	30		FEEDMO
C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](CCOC)[C@H](C)C1	ZINC000453460967	560387262	/nfs/dbraw/zinc/38/72/62/560387262.db2.gz	FHNYGIPSNKXJHY-IAGOWNOFSA-N	1	1	363.506	2.253	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1	ZINC000453599919	560390603	/nfs/dbraw/zinc/39/06/03/560390603.db2.gz	DDTJHCXOYJMEJV-ZDUSSCGKSA-N	1	1	362.499	2.456	20	30		FEEDMO
Cc1nc(NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N	ZINC000453612165	560391098	/nfs/dbraw/zinc/39/10/98/560391098.db2.gz	AFBQWIAQJMGCNU-OKILXGFUSA-N	1	1	371.485	2.073	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453617655	560391471	/nfs/dbraw/zinc/39/14/71/560391471.db2.gz	YRFUUPJQVYDHGK-MRXNPFEDSA-N	1	1	356.470	2.462	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453647260	560393206	/nfs/dbraw/zinc/39/32/06/560393206.db2.gz	RJFHMPKFTBIROH-SFHVURJKSA-N	1	1	356.470	2.462	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1	ZINC000453664539	560394610	/nfs/dbraw/zinc/39/46/10/560394610.db2.gz	GVKFBEXCYMXDIF-MSOLQXFVSA-N	1	1	354.454	2.279	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCCC1(C)C	ZINC000454071462	560426728	/nfs/dbraw/zinc/42/67/28/560426728.db2.gz	RJTLUECYDNJPNY-UHFFFAOYSA-N	1	1	372.469	2.275	20	30		FEEDMO
N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1	ZINC000454711154	560455304	/nfs/dbraw/zinc/45/53/04/560455304.db2.gz	JCXSDVCFNFUSOG-CYBMUJFWSA-N	1	1	368.384	2.128	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)Nc1cnc(C#N)c(Cl)c1)N1CC[NH+](C)CC1	ZINC000455762210	560494208	/nfs/dbraw/zinc/49/42/08/560494208.db2.gz	YPXGCBJXZKOVLV-MRXNPFEDSA-N	1	1	364.881	2.000	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000455777476	560494594	/nfs/dbraw/zinc/49/45/94/560494594.db2.gz	CVLRYUJROBMZRP-VQIMIIECSA-N	1	1	357.498	2.431	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000455789011	560494763	/nfs/dbraw/zinc/49/47/63/560494763.db2.gz	GUNCYCYTOSTBDV-MRXNPFEDSA-N	1	1	359.474	2.103	20	30		FEEDMO
CN1CCN(C)[C@H](CNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)C1	ZINC000455789011	560494764	/nfs/dbraw/zinc/49/47/64/560494764.db2.gz	GUNCYCYTOSTBDV-MRXNPFEDSA-N	1	1	359.474	2.103	20	30		FEEDMO
CCOCC[N@@H+]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C[C@H]1C	ZINC000455793787	560494925	/nfs/dbraw/zinc/49/49/25/560494925.db2.gz	SFFMDURBRHKHQJ-GFCCVEGCSA-N	1	1	351.838	2.181	20	30		FEEDMO
CCOCC[N@H+]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)C[C@H]1C	ZINC000455793787	560494926	/nfs/dbraw/zinc/49/49/26/560494926.db2.gz	SFFMDURBRHKHQJ-GFCCVEGCSA-N	1	1	351.838	2.181	20	30		FEEDMO
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N	ZINC000459466260	560687862	/nfs/dbraw/zinc/68/78/62/560687862.db2.gz	ODIZBBYAFAEZAI-QFBILLFUSA-N	1	1	351.454	2.387	20	30		FEEDMO
O=C(C[N@@H+]1C[C@@H]2C[C@H]1CS2)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000459799015	560709240	/nfs/dbraw/zinc/70/92/40/560709240.db2.gz	WBYVRCNPSASAFM-GJZGRUSLSA-N	1	1	354.397	2.363	20	30		FEEDMO
O=C(C[N@H+]1C[C@@H]2C[C@H]1CS2)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000459799015	560709241	/nfs/dbraw/zinc/70/92/41/560709241.db2.gz	WBYVRCNPSASAFM-GJZGRUSLSA-N	1	1	354.397	2.363	20	30		FEEDMO
C=C(C)Cn1c(CC2CC2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1	ZINC000460573209	560746469	/nfs/dbraw/zinc/74/64/69/560746469.db2.gz	KRUPHCBVWYVHHT-GOSISDBHSA-N	1	1	358.534	2.023	20	30		FEEDMO
C[C@@H](CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)[N@H+]1CCC[C@@H](C)C1	ZINC000462128994	560798322	/nfs/dbraw/zinc/79/83/22/560798322.db2.gz	OTQJGUCLYYIDAF-CVEARBPZSA-N	1	1	356.470	2.451	20	30		FEEDMO
COc1cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)ccc1OCc1cccc(C#N)c1	ZINC000462339189	560806838	/nfs/dbraw/zinc/80/68/38/560806838.db2.gz	XXYOPTPNOQGARX-OALUTQOASA-N	1	1	368.433	2.073	20	30		FEEDMO
N#Cc1ccccc1OCC[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1	ZINC000464800937	560851506	/nfs/dbraw/zinc/85/15/06/560851506.db2.gz	HUQULKJUCVOMKV-GOSISDBHSA-N	1	1	357.454	2.040	20	30		FEEDMO
N#Cc1ccccc1OCC[N@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1	ZINC000464800937	560851508	/nfs/dbraw/zinc/85/15/08/560851508.db2.gz	HUQULKJUCVOMKV-GOSISDBHSA-N	1	1	357.454	2.040	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1C	ZINC000465874270	560874693	/nfs/dbraw/zinc/87/46/93/560874693.db2.gz	MNYQLFGNTALBDH-DJIMGWMZSA-N	1	1	373.476	2.448	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@@H+](CCNc1ccc(C)c(C#N)n1)CC2	ZINC000468708913	560936626	/nfs/dbraw/zinc/93/66/26/560936626.db2.gz	GALMFPQUEMWXQG-UHFFFAOYSA-N	1	1	352.438	2.749	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C1	ZINC000469769205	560964166	/nfs/dbraw/zinc/96/41/66/560964166.db2.gz	NSPROWLZRREBCG-HLNWXESRSA-N	1	1	366.550	2.156	20	30		FEEDMO
C=C(C)C[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)Cc1ccccc1	ZINC000470913750	560993811	/nfs/dbraw/zinc/99/38/11/560993811.db2.gz	ROONTQMSLHDWNZ-UHFFFAOYSA-N	1	1	365.481	2.204	20	30		FEEDMO
C=C(C)C[N@@H+](CC(=O)N1CCN(c2cnccn2)CC1)Cc1ccccc1	ZINC000470913750	560993812	/nfs/dbraw/zinc/99/38/12/560993812.db2.gz	ROONTQMSLHDWNZ-UHFFFAOYSA-N	1	1	365.481	2.204	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@H](CC)CN1C(C)=O	ZINC000472313892	561024013	/nfs/dbraw/zinc/02/40/13/561024013.db2.gz	GVGOORMKFSVHFG-GUDVDZBRSA-N	1	1	359.470	2.019	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](Cc1cc(OC)ccc1OC)C(C)(C)C	ZINC000474169347	561067288	/nfs/dbraw/zinc/06/72/88/561067288.db2.gz	BRECVBWNWJCPBV-UHFFFAOYSA-N	1	1	363.458	2.316	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](Cc1cc(OC)ccc1OC)C(C)(C)C	ZINC000474169347	561067289	/nfs/dbraw/zinc/06/72/89/561067289.db2.gz	BRECVBWNWJCPBV-UHFFFAOYSA-N	1	1	363.458	2.316	20	30		FEEDMO
COCC[N@@H+](C)CC[C@H](NC(=O)c1ccnc(C#N)c1)c1ccccc1	ZINC000475669947	561101906	/nfs/dbraw/zinc/10/19/06/561101906.db2.gz	TUHNRFWDZKKUQN-IBGZPJMESA-N	1	1	352.438	2.393	20	30		FEEDMO
C[C@H]1C[C@@H](N(C)C(=O)c2cnn(C)c2C#N)CC[N@H+]1Cc1ccccc1	ZINC000476083185	561111050	/nfs/dbraw/zinc/11/10/50/561111050.db2.gz	BEFROPUIJSXZGJ-RDJZCZTQSA-N	1	1	351.454	2.417	20	30		FEEDMO
C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cnn(C)c3C#N)c2)C[C@H](C)O1	ZINC000476095902	561111206	/nfs/dbraw/zinc/11/12/06/561111206.db2.gz	PUIZAKUGWQPBEA-KBPBESRZSA-N	1	1	353.426	2.153	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@@H](C)C1	ZINC000476548216	561122160	/nfs/dbraw/zinc/12/21/60/561122160.db2.gz	RQBKWXLHXRFSEY-FUHWJXTLSA-N	1	1	357.454	2.170	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@@H](C)C1	ZINC000476548216	561122161	/nfs/dbraw/zinc/12/21/61/561122161.db2.gz	RQBKWXLHXRFSEY-FUHWJXTLSA-N	1	1	357.454	2.170	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1	ZINC000528357002	562324675	/nfs/dbraw/zinc/32/46/75/562324675.db2.gz	GKDTWJDQZLGLNC-KRWDZBQOSA-N	1	1	372.856	2.169	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528358230	562324787	/nfs/dbraw/zinc/32/47/87/562324787.db2.gz	KJAORAGAKRYMLY-QRQLOZEOSA-N	1	1	373.497	2.315	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1Cc1ccccc1	ZINC000528392745	562326613	/nfs/dbraw/zinc/32/66/13/562326613.db2.gz	CYTMKSUWGGKXSR-VQTJNVASSA-N	1	1	352.434	2.241	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1Cc1ccccc1	ZINC000528392745	562326614	/nfs/dbraw/zinc/32/66/14/562326614.db2.gz	CYTMKSUWGGKXSR-VQTJNVASSA-N	1	1	352.434	2.241	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCc2ccc(O)cc2CC1	ZINC000528415257	562327977	/nfs/dbraw/zinc/32/79/77/562327977.db2.gz	LCFFVMOKJYJEPU-UHFFFAOYSA-N	1	1	360.413	2.092	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1	ZINC000528436286	562329234	/nfs/dbraw/zinc/32/92/34/562329234.db2.gz	AYGKCKDWWPKRPF-PMACEKPBSA-N	1	1	352.434	2.241	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1	ZINC000528436286	562329235	/nfs/dbraw/zinc/32/92/35/562329235.db2.gz	AYGKCKDWWPKRPF-PMACEKPBSA-N	1	1	352.434	2.241	20	30		FEEDMO
CC(C)(C)[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1O	ZINC000528441354	562329587	/nfs/dbraw/zinc/32/95/87/562329587.db2.gz	UOLLHLDDFLOCRB-MSOLQXFVSA-N	1	1	354.450	2.015	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1	ZINC000529025485	562357118	/nfs/dbraw/zinc/35/71/18/562357118.db2.gz	KFSBLQWZIKDINN-KZNAEPCWSA-N	1	1	371.506	2.412	20	30		FEEDMO
COCc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1C#N	ZINC000529208946	562364827	/nfs/dbraw/zinc/36/48/27/562364827.db2.gz	ATALRWOEEHYCGP-AWEZNQCLSA-N	1	1	360.458	2.014	20	30		FEEDMO
COCc1ccc(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000529816835	562386572	/nfs/dbraw/zinc/38/65/72/562386572.db2.gz	QECZCKKLHPUPCX-OAQYLSRUSA-N	1	1	365.433	2.280	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000531044499	562432821	/nfs/dbraw/zinc/43/28/21/562432821.db2.gz	VZPCFZPTKAALHS-CQSZACIVSA-N	1	1	360.483	2.089	20	30		FEEDMO
C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(Br)c1O	ZINC000531561021	562450012	/nfs/dbraw/zinc/45/00/12/562450012.db2.gz	MSYDBAYQFZJNCD-UHFFFAOYSA-N	1	1	354.248	2.462	20	30		FEEDMO
N#Cc1cccc(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1	ZINC000535635238	562563012	/nfs/dbraw/zinc/56/30/12/562563012.db2.gz	KHWCWOHMRFZKBG-RTWAWAEBSA-N	1	1	363.461	2.100	20	30		FEEDMO
N#Cc1cccc(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1	ZINC000535635239	562563085	/nfs/dbraw/zinc/56/30/85/562563085.db2.gz	KHWCWOHMRFZKBG-SFTDATJTSA-N	1	1	363.461	2.100	20	30		FEEDMO
N#Cc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)s1	ZINC000536434016	562575373	/nfs/dbraw/zinc/57/53/73/562575373.db2.gz	UNPPWLCGCGNVIW-RDJZCZTQSA-N	1	1	355.463	2.233	20	30		FEEDMO
N#CCC1CC[NH+](CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1	ZINC000541025427	562600815	/nfs/dbraw/zinc/60/08/15/562600815.db2.gz	ZLFXSEMLCBSZNE-UHFFFAOYSA-N	1	1	358.486	2.407	20	30		FEEDMO
C=C(Br)CNC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1	ZINC000806548972	674380796	/nfs/dbraw/zinc/38/07/96/674380796.db2.gz	KSMHKJNZACVWDA-OAHLLOKOSA-N	1	1	352.276	2.463	20	30		FEEDMO
C=C(Br)CNC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1	ZINC000806548972	674380797	/nfs/dbraw/zinc/38/07/97/674380797.db2.gz	KSMHKJNZACVWDA-OAHLLOKOSA-N	1	1	352.276	2.463	20	30		FEEDMO
CN(c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1CC1CC1)[C@@H]1CCC[C@@H]1C#N	ZINC000601905928	567871485	/nfs/dbraw/zinc/87/14/85/567871485.db2.gz	WTUCMHJZNHAUIK-TVFCKZIOSA-N	1	1	370.501	2.352	20	30		FEEDMO
C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000602333731	567969379	/nfs/dbraw/zinc/96/93/79/567969379.db2.gz	OBUFVZOUKKANKD-KRWDZBQOSA-N	1	1	371.529	2.092	20	30		FEEDMO
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCc2c(CC#N)cccc2C1	ZINC000602333731	567969380	/nfs/dbraw/zinc/96/93/80/567969380.db2.gz	OBUFVZOUKKANKD-KRWDZBQOSA-N	1	1	371.529	2.092	20	30		FEEDMO
C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000602595823	567999507	/nfs/dbraw/zinc/99/95/07/567999507.db2.gz	DDBRPCXCKLXLEI-YLJYHZDGSA-N	1	1	357.498	2.442	20	30		FEEDMO
C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)C1=O	ZINC000602847844	568000646	/nfs/dbraw/zinc/00/06/46/568000646.db2.gz	DQEREQBMTUPTOF-NNFUDEMPSA-N	1	1	358.461	2.406	20	30		FEEDMO
C[C@@H](CC1(C#N)CCOCC1)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2	ZINC000602641287	568003118	/nfs/dbraw/zinc/00/31/18/568003118.db2.gz	YUHSDHGDUMVLHG-HNNXBMFYSA-N	1	1	356.470	2.041	20	30		FEEDMO
C[C@@H](CC1(C#N)CCOCC1)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2	ZINC000602641287	568003119	/nfs/dbraw/zinc/00/31/19/568003119.db2.gz	YUHSDHGDUMVLHG-HNNXBMFYSA-N	1	1	356.470	2.041	20	30		FEEDMO
CCn1nc(C)c(C[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)c1C	ZINC000602926466	568018548	/nfs/dbraw/zinc/01/85/48/568018548.db2.gz	RKZNVIHIBWLJCX-GOSISDBHSA-N	1	1	356.470	2.458	20	30		FEEDMO
C[C@H](c1ccc(NC(=O)N2CCN(CCC#N)CC2)cc1)[NH+]1CCOCC1	ZINC000602835931	568050273	/nfs/dbraw/zinc/05/02/73/568050273.db2.gz	ALDRZJFTVHJPGY-QGZVFWFLSA-N	1	1	371.485	2.143	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCOC2(CCC2)C1	ZINC000330268707	568052228	/nfs/dbraw/zinc/05/22/28/568052228.db2.gz	RIGFQBSONVZAAD-HOTGVXAUSA-N	1	1	351.491	2.187	20	30		FEEDMO
C[C@H]([NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C(=O)NC1(C#N)CCC1	ZINC000603142109	568067194	/nfs/dbraw/zinc/06/71/94/568067194.db2.gz	BTWGFCZDKREXTM-CFVMTHIKSA-N	1	1	369.387	2.061	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1	ZINC000603842983	568155377	/nfs/dbraw/zinc/15/53/77/568155377.db2.gz	VWYHPYQKLQWPHT-QZTJIDSGSA-N	1	1	352.438	2.162	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21	ZINC000330297278	568156397	/nfs/dbraw/zinc/15/63/97/568156397.db2.gz	KUCGOXQPAQIPJS-IUODEOHRSA-N	1	1	360.458	2.485	20	30		FEEDMO
COC(=O)c1cccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)n1	ZINC000569553043	568405320	/nfs/dbraw/zinc/40/53/20/568405320.db2.gz	SUWYTKPYDLWMIK-UHFFFAOYSA-N	1	1	350.422	2.452	20	30		FEEDMO
COC(=O)c1cccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)n1	ZINC000569553043	568405321	/nfs/dbraw/zinc/40/53/21/568405321.db2.gz	SUWYTKPYDLWMIK-UHFFFAOYSA-N	1	1	350.422	2.452	20	30		FEEDMO
C[C@H]1CN(Cc2cccc(C#N)c2)CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1	ZINC000737196631	598899404	/nfs/dbraw/zinc/89/94/04/598899404.db2.gz	VBXOTVWFUNJBRK-INIZCTEOSA-N	1	1	373.464	2.445	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)CCN1Cc1cccc(C#N)c1	ZINC000737196315	598899590	/nfs/dbraw/zinc/89/95/90/598899590.db2.gz	FKZDABPZUUGXCN-INIZCTEOSA-N	1	1	373.464	2.445	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)c(F)c1	ZINC000737719285	598256791	/nfs/dbraw/zinc/25/67/91/598256791.db2.gz	SDHSUBOVVNEBOV-UHFFFAOYSA-N	1	1	363.400	2.200	20	30		FEEDMO
CC(C)(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccccc1-c1nn[nH]n1	ZINC000735602828	598621259	/nfs/dbraw/zinc/62/12/59/598621259.db2.gz	QZFPYFZDICUNGL-UHFFFAOYSA-N	1	1	355.446	2.457	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2	ZINC000809568383	674498047	/nfs/dbraw/zinc/49/80/47/674498047.db2.gz	MTTBDCXAXNSTLD-TZGCNFNXSA-N	1	1	351.491	2.446	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000822802202	606072724	/nfs/dbraw/zinc/07/27/24/606072724.db2.gz	WUBJGVHSULPART-LJQANCHMSA-N	1	1	359.437	2.249	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1	ZINC000811446036	674604330	/nfs/dbraw/zinc/60/43/30/674604330.db2.gz	RXAKWCQYIHJHHO-KKXDTOCCSA-N	1	1	355.454	2.185	20	30		FEEDMO
CCSc1cc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)ccn1	ZINC000563618417	674918299	/nfs/dbraw/zinc/91/82/99/674918299.db2.gz	VJSNYVQGEGZIRO-UHFFFAOYSA-N	1	1	362.480	2.024	20	30		FEEDMO
COc1cc(C#N)cc(Br)c1OC[C@H](O)C[N@@H+](C)C1CC1	ZINC000564559619	675036672	/nfs/dbraw/zinc/03/66/72/675036672.db2.gz	XAMYMNOADFVBBM-GFCCVEGCSA-N	1	1	355.232	2.163	20	30		FEEDMO
C=C(Br)CNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000069119711	670481041	/nfs/dbraw/zinc/48/10/41/670481041.db2.gz	FBCDKTVMTGRGQW-UHFFFAOYSA-N	1	1	368.275	2.227	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)nn1	ZINC000565770225	675150082	/nfs/dbraw/zinc/15/00/82/675150082.db2.gz	KVZDRVYDTMEINF-SUMWQHHRSA-N	1	1	350.850	2.346	20	30		FEEDMO
COc1ccc(F)cc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000565970896	675164982	/nfs/dbraw/zinc/16/49/82/675164982.db2.gz	DWGJLQFWJHROIM-LBPRGKRZSA-N	1	1	363.414	2.225	20	30		FEEDMO
CCOC(=O)COCC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000573022582	671072054	/nfs/dbraw/zinc/07/20/54/671072054.db2.gz	LSDQYJSYIQLOTP-KRWDZBQOSA-N	1	1	365.861	2.102	20	30		FEEDMO
CC(C)Oc1cc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)ccn1	ZINC000576696350	671387525	/nfs/dbraw/zinc/38/75/25/671387525.db2.gz	GUNTXIDGTRUGJJ-UHFFFAOYSA-N	1	1	359.451	2.304	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC[N@H+](C2CCC2)C1	ZINC000577844762	671623974	/nfs/dbraw/zinc/62/39/74/671623974.db2.gz	AXTPTMDCKWMOJT-INIZCTEOSA-N	1	1	361.511	2.389	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1	ZINC000610064750	675949459	/nfs/dbraw/zinc/94/94/59/675949459.db2.gz	UYPKBVDNZQJLTB-UHFFFAOYSA-N	1	1	367.203	2.075	20	30		FEEDMO
CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000582518254	672008476	/nfs/dbraw/zinc/00/84/76/672008476.db2.gz	NDLMMXNSJIJZDO-LBPRGKRZSA-N	1	1	350.850	2.387	20	30		FEEDMO
Cc1cc(SCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)ccc1C#N	ZINC000582785443	672033940	/nfs/dbraw/zinc/03/39/40/672033940.db2.gz	HMCAHSXJYHXLEM-KRWDZBQOSA-N	1	1	361.511	2.432	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1	ZINC000159401740	672281565	/nfs/dbraw/zinc/28/15/65/672281565.db2.gz	SZUUXCQXECHQKD-DOTOQJQBSA-N	1	1	365.499	2.271	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c(Cl)c1	ZINC000590774136	672615919	/nfs/dbraw/zinc/61/59/19/672615919.db2.gz	WHFNZARAEAIGML-GFCCVEGCSA-N	1	1	356.253	2.442	20	30		FEEDMO
C=CC[N@@H+](CCOC)CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000191100298	672658923	/nfs/dbraw/zinc/65/89/23/672658923.db2.gz	PWQNYRWUHXGCGB-UHFFFAOYSA-N	1	1	365.499	2.189	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)C#Cc1ccc(C(F)(F)F)cc1	ZINC000191268478	672662541	/nfs/dbraw/zinc/66/25/41/672662541.db2.gz	LISFSBXJTNZVBP-MRXNPFEDSA-N	1	1	354.372	2.284	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000682157863	672738546	/nfs/dbraw/zinc/73/85/46/672738546.db2.gz	SNLIXNZMGFLJJE-NSHGMRRFSA-N	1	1	351.535	2.232	20	30		FEEDMO
N#CC[C@@]1(O)CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1	ZINC000592146839	672764179	/nfs/dbraw/zinc/76/41/79/672764179.db2.gz	KVEKQMIPSDMWBV-OAHLLOKOSA-N	1	1	352.232	2.128	20	30		FEEDMO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCS[C@H]2COCC[C@H]21	ZINC000246915579	672844059	/nfs/dbraw/zinc/84/40/59/672844059.db2.gz	MTVJVEMVRVQEKT-SJORKVTESA-N	1	1	355.467	2.289	20	30		FEEDMO
N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1	ZINC000593415861	672920578	/nfs/dbraw/zinc/92/05/78/672920578.db2.gz	SCLJQDSXUSOCEE-GFCCVEGCSA-N	1	1	362.271	2.464	20	30		FEEDMO
COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)c2ccsc2C#N)cc1	ZINC000593593704	672953298	/nfs/dbraw/zinc/95/32/98/672953298.db2.gz	YRMQKJFLSXHRIU-AWEZNQCLSA-N	1	1	365.480	2.210	20	30		FEEDMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC2(C1)CCCOC2	ZINC000329482150	673078506	/nfs/dbraw/zinc/07/85/06/673078506.db2.gz	RMGRAAWJLQOIGG-UHFFFAOYSA-N	1	1	351.491	2.048	20	30		FEEDMO
CC[C@@H]1CN(C(=O)CNC(=O)CC2CCCC2)C[C@H]1[NH+]1CCOCC1	ZINC000329666408	673081323	/nfs/dbraw/zinc/08/13/23/673081323.db2.gz	QFMDQDCHXZMQAF-IAGOWNOFSA-N	1	1	351.491	2.092	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000595355927	673231888	/nfs/dbraw/zinc/23/18/88/673231888.db2.gz	STDFXMUHQXPXOA-GFCCVEGCSA-N	1	1	372.288	2.083	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc2c(c(Br)c1)OCO2	ZINC000729812349	673249086	/nfs/dbraw/zinc/24/90/86/673249086.db2.gz	SQEDJYJRRCRCJP-GFCCVEGCSA-N	1	1	366.211	2.432	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000595544652	673263709	/nfs/dbraw/zinc/26/37/09/673263709.db2.gz	BPOUPISNJAYFND-HNNXBMFYSA-N	1	1	361.515	2.183	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000595544653	673263953	/nfs/dbraw/zinc/26/39/53/673263953.db2.gz	BPOUPISNJAYFND-OAHLLOKOSA-N	1	1	361.515	2.183	20	30		FEEDMO
C#Cc1cccc(NC(=S)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1	ZINC000730467174	673281636	/nfs/dbraw/zinc/28/16/36/673281636.db2.gz	BNXIXFZSDBBPCM-LJQANCHMSA-N	1	1	356.539	2.467	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1	ZINC000595908225	673337612	/nfs/dbraw/zinc/33/76/12/673337612.db2.gz	GGVBALBNJDTMJO-KDURUIRLSA-N	1	1	360.479	2.225	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1	ZINC000595908225	673337614	/nfs/dbraw/zinc/33/76/14/673337614.db2.gz	GGVBALBNJDTMJO-KDURUIRLSA-N	1	1	360.479	2.225	20	30		FEEDMO
C[N@@H+](CCCNc1ccc(S(N)(=O)=O)cc1C#N)Cc1ccccc1	ZINC000731902152	673347181	/nfs/dbraw/zinc/34/71/81/673347181.db2.gz	WXTAEDDSGYHKRQ-UHFFFAOYSA-N	1	1	358.467	2.140	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCSC3(CCOCC3)C2)cc1	ZINC000613749181	676145251	/nfs/dbraw/zinc/14/52/51/676145251.db2.gz	RMZBHHJAFRWUEY-KRWDZBQOSA-N	1	1	362.495	2.090	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)C1	ZINC000598341622	673561500	/nfs/dbraw/zinc/56/15/00/673561500.db2.gz	DWBIRLZIEZCMTK-OAHLLOKOSA-N	1	1	350.260	2.464	20	30		FEEDMO
CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1	ZINC000598585987	673586887	/nfs/dbraw/zinc/58/68/87/673586887.db2.gz	CITNQNHHIMKXIM-CQSZACIVSA-N	1	1	351.397	2.023	20	30		FEEDMO
CO[C@@]1(C(F)(F)F)CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000599380546	673666893	/nfs/dbraw/zinc/66/68/93/673666893.db2.gz	VFFSPUZLYYRBOA-HOCLYGCPSA-N	1	1	358.360	2.341	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)cc1OC	ZINC000600166909	673745631	/nfs/dbraw/zinc/74/56/31/673745631.db2.gz	JSBBUNXAQAIFCG-KBPBESRZSA-N	1	1	369.845	2.269	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@H](C(=O)OC)C2)cc1OC	ZINC000600166909	673745635	/nfs/dbraw/zinc/74/56/35/673745635.db2.gz	JSBBUNXAQAIFCG-KBPBESRZSA-N	1	1	369.845	2.269	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H]3CCC[C@H]32)CC1	ZINC000614600339	676182917	/nfs/dbraw/zinc/18/29/17/676182917.db2.gz	FXZBJXRFDSMFJC-GVDBMIGSSA-N	1	1	358.511	2.331	20	30		FEEDMO
N#Cc1ccc(C2CC[NH+](Cc3cc(=O)n4ccsc4n3)CC2)nc1	ZINC000602908215	673913572	/nfs/dbraw/zinc/91/35/72/673913572.db2.gz	BBBSMNPOVMTSBB-UHFFFAOYSA-N	1	1	351.435	2.402	20	30		FEEDMO
Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)cn1	ZINC000602942191	673914378	/nfs/dbraw/zinc/91/43/78/673914378.db2.gz	LKRXFAMOAOTBOB-MRXNPFEDSA-N	1	1	357.845	2.340	20	30		FEEDMO
Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Cl)cn1	ZINC000602942191	673914380	/nfs/dbraw/zinc/91/43/80/673914380.db2.gz	LKRXFAMOAOTBOB-MRXNPFEDSA-N	1	1	357.845	2.340	20	30		FEEDMO
CC[N@H+]1CC[C@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819143507	675264339	/nfs/dbraw/zinc/26/43/39/675264339.db2.gz	GPYZOPYKVCQDLS-CABCVRRESA-N	1	1	352.479	2.032	20	30		FEEDMO
CC[N@H+]1CC[C@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819143509	675264361	/nfs/dbraw/zinc/26/43/61/675264361.db2.gz	GPYZOPYKVCQDLS-HUUCEWRRSA-N	1	1	352.479	2.032	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819452293	675291603	/nfs/dbraw/zinc/29/16/03/675291603.db2.gz	KKYPPNDQVLCHBJ-RBSFLKMASA-N	1	1	352.479	2.125	20	30		FEEDMO
C#C[C@H](NC(=O)N1CCC[N@H+](C)CC1)c1ccc(Br)cc1	ZINC000820625435	675375217	/nfs/dbraw/zinc/37/52/17/675375217.db2.gz	IPIVOMADUKAGBQ-HNNXBMFYSA-N	1	1	350.260	2.471	20	30		FEEDMO
C#C[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccc(Cl)cc1F	ZINC000820750083	675384922	/nfs/dbraw/zinc/38/49/22/675384922.db2.gz	KEDHLQGRHAPUCV-WMLDXEAASA-N	1	1	367.852	2.299	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)c1	ZINC000825019195	675633727	/nfs/dbraw/zinc/63/37/27/675633727.db2.gz	XUTLPCIKGYMAAA-QGZVFWFLSA-N	1	1	362.495	2.040	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)c1	ZINC000825019195	675633728	/nfs/dbraw/zinc/63/37/28/675633728.db2.gz	XUTLPCIKGYMAAA-QGZVFWFLSA-N	1	1	362.495	2.040	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1	ZINC000827114087	675730291	/nfs/dbraw/zinc/73/02/91/675730291.db2.gz	DRGJICBLOSEHTO-UHFFFAOYSA-N	1	1	351.491	2.095	20	30		FEEDMO
Cc1nc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(Cl)cc1C#N	ZINC000603423204	675799151	/nfs/dbraw/zinc/79/91/51/675799151.db2.gz	MVVUCUBJIOUJPB-MRXNPFEDSA-N	1	1	363.893	2.124	20	30		FEEDMO
C#CCN(CC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)C(=O)OC(C)(C)C	ZINC000828490354	675823409	/nfs/dbraw/zinc/82/34/09/675823409.db2.gz	CSWCXPZBZZEAFV-CVEARBPZSA-N	1	1	351.491	2.188	20	30		FEEDMO
Cn1ccc(C[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1=O	ZINC000619295512	676371537	/nfs/dbraw/zinc/37/15/37/676371537.db2.gz	MLMHZGQWABALAX-GOSISDBHSA-N	1	1	356.857	2.421	20	30		FEEDMO
N#CCc1ccccc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1	ZINC000619571999	676385341	/nfs/dbraw/zinc/38/53/41/676385341.db2.gz	ITTVBHRGDZTTKN-INIZCTEOSA-N	1	1	359.451	2.461	20	30		FEEDMO
N#Cc1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl	ZINC000619828580	676396620	/nfs/dbraw/zinc/39/66/20/676396620.db2.gz	VLTNEXHSHJRIGV-MRXNPFEDSA-N	1	1	362.861	2.218	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1	ZINC000830504566	677043667	/nfs/dbraw/zinc/04/36/67/677043667.db2.gz	VBKHURAWQZSWKZ-CABCVRRESA-N	1	1	365.499	2.424	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](OC(=O)N(C)C)C1	ZINC000830504566	677043668	/nfs/dbraw/zinc/04/36/68/677043668.db2.gz	VBKHURAWQZSWKZ-CABCVRRESA-N	1	1	365.499	2.424	20	30		FEEDMO
CN(C)C(=O)O[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000830568869	677048153	/nfs/dbraw/zinc/04/81/53/677048153.db2.gz	LLVUBQKKBWVAAV-CYBMUJFWSA-N	1	1	350.444	2.111	20	30		FEEDMO
C=CC[C@H]1N(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CCCC1(C)C	ZINC000637375372	677127287	/nfs/dbraw/zinc/12/72/87/677127287.db2.gz	JPUYTDMMPNAMPC-JKSUJKDBSA-N	1	1	350.507	2.103	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1coc(S(C)(=O)=O)c1)C(C)C	ZINC000651332620	677420304	/nfs/dbraw/zinc/42/03/04/677420304.db2.gz	CBQJJSYWGCFAIM-HNNXBMFYSA-N	1	1	354.472	2.112	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000656360472	677749262	/nfs/dbraw/zinc/74/92/62/677749262.db2.gz	UAIINQKRRIANLM-DLBZAZTESA-N	1	1	361.511	2.396	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](CCSc2cccc(Cl)c2)CC1	ZINC000659811746	678208358	/nfs/dbraw/zinc/20/83/58/678208358.db2.gz	UUJUCUADJMATSQ-UHFFFAOYSA-N	1	1	353.919	2.352	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1=O	ZINC000840006222	680792495	/nfs/dbraw/zinc/79/24/95/680792495.db2.gz	BHFMFVMJWBYXHQ-LSDHHAIUSA-N	1	1	352.479	2.103	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1=O	ZINC000840006222	680792496	/nfs/dbraw/zinc/79/24/96/680792496.db2.gz	BHFMFVMJWBYXHQ-LSDHHAIUSA-N	1	1	352.479	2.103	20	30		FEEDMO
CCOCCC[N@H+]1CCC(=NNS(=O)(=O)c2ccc(F)cc2)[C@@H](C)C1	ZINC000764721689	680819551	/nfs/dbraw/zinc/81/95/51/680819551.db2.gz	QXTDQPXCDDSMGM-AWEZNQCLSA-N	1	1	371.478	2.228	20	30		FEEDMO
CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000748357426	679955638	/nfs/dbraw/zinc/95/56/38/679955638.db2.gz	DGHILDBCBNNHNK-KRWDZBQOSA-N	1	1	365.499	2.080	20	30		FEEDMO
C=C(Br)CN1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12	ZINC000990759560	680072083	/nfs/dbraw/zinc/07/20/83/680072083.db2.gz	CZPZSRWGSGIYKN-ANQUJSFKSA-N	1	1	370.335	2.348	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21	ZINC000978814067	680181276	/nfs/dbraw/zinc/18/12/76/680181276.db2.gz	IPBIMPPJMKJZSC-TXTZMMAHSA-N	1	1	361.511	2.308	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cscn3)C[C@H]21	ZINC000978814067	680181278	/nfs/dbraw/zinc/18/12/78/680181278.db2.gz	IPBIMPPJMKJZSC-TXTZMMAHSA-N	1	1	361.511	2.308	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000751518166	680184807	/nfs/dbraw/zinc/18/48/07/680184807.db2.gz	ZSQKUELMDSXIMG-AWEZNQCLSA-N	1	1	358.467	2.254	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=C[C@@H]1CCCc2ccccc21	ZINC000752157869	680225788	/nfs/dbraw/zinc/22/57/88/680225788.db2.gz	DXADCBRVDRVYIH-KRWDZBQOSA-N	1	1	360.527	2.279	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc(COC)n2)C1	ZINC001022842720	680241997	/nfs/dbraw/zinc/24/19/97/680241997.db2.gz	ATAUQRIMJVZRPL-YXPYIKCWSA-N	1	1	365.499	2.008	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](Cc3nccs3)C[C@]2(C)C1	ZINC000982574468	680281379	/nfs/dbraw/zinc/28/13/79/680281379.db2.gz	ODUYWJBGJCLTTA-OHQAAIJDSA-N	1	1	361.511	2.405	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](Cc3nccs3)C[C@]2(C)C1	ZINC000982574468	680281382	/nfs/dbraw/zinc/28/13/82/680281382.db2.gz	ODUYWJBGJCLTTA-OHQAAIJDSA-N	1	1	361.511	2.405	20	30		FEEDMO
CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ccc(S(=O)(=O)C(F)F)cc1	ZINC000753939304	680325209	/nfs/dbraw/zinc/32/52/09/680325209.db2.gz	NVMSQNDFVIRXHS-OKILXGFUSA-N	1	1	370.425	2.267	20	30		FEEDMO
COc1cc(Br)cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1O	ZINC000753935783	680325300	/nfs/dbraw/zinc/32/53/00/680325300.db2.gz	PRHMTHOUHSFCGH-TXEJJXNPSA-N	1	1	367.247	2.357	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC000997238327	680350336	/nfs/dbraw/zinc/35/03/36/680350336.db2.gz	MTBXMAYLLISOGH-BSWAZPDLSA-N	1	1	356.894	2.007	20	30		FEEDMO
O=C(NC[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1)[C@]12C[C@H]1COC2	ZINC001027896045	680363551	/nfs/dbraw/zinc/36/35/51/680363551.db2.gz	FXGJTSYSEDGNFY-HQRMLTQVSA-N	1	1	358.869	2.309	20	30		FEEDMO
O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1)[C@]12C[C@H]1COC2	ZINC001027896045	680363557	/nfs/dbraw/zinc/36/35/57/680363557.db2.gz	FXGJTSYSEDGNFY-HQRMLTQVSA-N	1	1	358.869	2.309	20	30		FEEDMO
O=C(NC[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1)[C@]12C[C@H]1COC2	ZINC001027896033	680364164	/nfs/dbraw/zinc/36/41/64/680364164.db2.gz	FQTRNERCLSGWHB-HQRMLTQVSA-N	1	1	358.869	2.309	20	30		FEEDMO
O=C(NC[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1)[C@]12C[C@H]1COC2	ZINC001027896033	680364168	/nfs/dbraw/zinc/36/41/68/680364168.db2.gz	FQTRNERCLSGWHB-HQRMLTQVSA-N	1	1	358.869	2.309	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC000998044993	680373253	/nfs/dbraw/zinc/37/32/53/680373253.db2.gz	IBICDLQVHKPGFF-IXDOHACOSA-N	1	1	357.926	2.161	20	30		FEEDMO
O=C(NC[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[C@]12C[C@H]1COC2	ZINC001028554350	680376878	/nfs/dbraw/zinc/37/68/78/680376878.db2.gz	FFBCTQCNBRDKHK-UWVAXJGDSA-N	1	1	358.869	2.166	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCO[C@H]2C(=C)C)C1	ZINC001028862562	680385925	/nfs/dbraw/zinc/38/59/25/680385925.db2.gz	UZUAOSHZVYXKHP-KKUMJFAQSA-N	1	1	357.292	2.314	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCO[C@H]2C(=C)C)C1	ZINC001028862562	680385930	/nfs/dbraw/zinc/38/59/30/680385930.db2.gz	UZUAOSHZVYXKHP-KKUMJFAQSA-N	1	1	357.292	2.314	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2csnn2)C1	ZINC000984905301	680394859	/nfs/dbraw/zinc/39/48/59/680394859.db2.gz	KBURSDVAAGYWBS-NPCUJANDSA-N	1	1	364.515	2.455	20	30		FEEDMO
C=C(Br)C[NH+]1CCC(C2(NC(=O)[C@]34C[C@H]3COC4)CC2)CC1	ZINC001000158164	680422024	/nfs/dbraw/zinc/42/20/24/680422024.db2.gz	REAHCGYNTVUGMY-HOCLYGCPSA-N	1	1	369.303	2.292	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCOC2CCC2)C1	ZINC001033495834	680424558	/nfs/dbraw/zinc/42/45/58/680424558.db2.gz	BISWTKLSAMCISX-WDSOQIARSA-N	1	1	350.503	2.460	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(OC)c(OC(F)F)c1	ZINC000836218542	680436589	/nfs/dbraw/zinc/43/65/89/680436589.db2.gz	ZOUGYYCQHFTWNX-UHFFFAOYSA-N	1	1	355.385	2.051	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NCc1cc(OC)ccc1Br	ZINC000836225579	680437962	/nfs/dbraw/zinc/43/79/62/680437962.db2.gz	SJYDRKVHYAUDIG-UHFFFAOYSA-N	1	1	368.275	2.212	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)CC[C@@H]2CCOC2)CC1	ZINC000985435525	680447801	/nfs/dbraw/zinc/44/78/01/680447801.db2.gz	NQFHSGZPNZRFTO-QRQLOZEOSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1	ZINC001035543993	680450981	/nfs/dbraw/zinc/45/09/81/680450981.db2.gz	YNPQEJZPESLRJM-BZSNNMDCSA-N	1	1	350.503	2.221	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCc1ccc(F)c(F)c1	ZINC001038714336	680459576	/nfs/dbraw/zinc/45/95/76/680459576.db2.gz	NLUKMGPTUIRUQZ-RKVPGOIHSA-N	1	1	350.409	2.289	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCc1ccc(F)c(F)c1	ZINC001038714336	680459579	/nfs/dbraw/zinc/45/95/79/680459579.db2.gz	NLUKMGPTUIRUQZ-RKVPGOIHSA-N	1	1	350.409	2.289	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@]23C[C@H]2COC3)s1	ZINC001039380600	680463295	/nfs/dbraw/zinc/46/32/95/680463295.db2.gz	XFUBXDDMVSSWBD-YGTYGHESSA-N	1	1	357.479	2.222	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@]23C[C@H]2COC3)s1	ZINC001039380600	680463297	/nfs/dbraw/zinc/46/32/97/680463297.db2.gz	XFUBXDDMVSSWBD-YGTYGHESSA-N	1	1	357.479	2.222	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](CC)OC	ZINC001039593144	680464317	/nfs/dbraw/zinc/46/43/17/680464317.db2.gz	IKBRYVOVBJFZKJ-APAFKAMOSA-N	1	1	350.503	2.458	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)CCC2CCOCC2)CC1	ZINC000985659902	680467292	/nfs/dbraw/zinc/46/72/92/680467292.db2.gz	FBKMQUSVCVBWOR-MOPGFXCFSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#C[C@@H](NC(=O)NCC[N@H+]1CCCOCC1)c1ccc(Cl)cc1F	ZINC000836454065	680471767	/nfs/dbraw/zinc/47/17/67/680471767.db2.gz	OMXVCVIZTAIIKH-MRXNPFEDSA-N	1	1	353.825	2.175	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000836487640	680475789	/nfs/dbraw/zinc/47/57/89/680475789.db2.gz	QHINNXBALBGLGR-UHFFFAOYSA-N	1	1	362.905	2.122	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N(C)C2CN(CC#Cc3cccc(Cl)c3)C2)CC[N@H+]1C	ZINC001042746870	680541943	/nfs/dbraw/zinc/54/19/43/680541943.db2.gz	RYUPSMSHVFEYOB-DNVCBOLYSA-N	1	1	359.901	2.174	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1	ZINC001004472079	680556849	/nfs/dbraw/zinc/55/68/49/680556849.db2.gz	ZGTOLYBICCSTIS-KBAYOESNSA-N	1	1	369.937	2.161	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1	ZINC001004549363	680559886	/nfs/dbraw/zinc/55/98/86/680559886.db2.gz	YHCZPTGUGNQUFK-IKGGRYGDSA-N	1	1	367.921	2.344	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1Nc1nc(Cl)c(C#N)s1	ZINC001043095764	680560323	/nfs/dbraw/zinc/56/03/23/680560323.db2.gz	RCIQSSKKUYCWRL-MXWKQRLJSA-N	1	1	353.879	2.021	20	30		FEEDMO
Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H](Nc2snc(Cl)c2C#N)C1	ZINC001043206632	680566031	/nfs/dbraw/zinc/56/60/31/680566031.db2.gz	XPJUDWIYDACXLO-BXKDBHETSA-N	1	1	364.862	2.132	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1Nc1snc(Cl)c1C#N	ZINC001043452511	680582528	/nfs/dbraw/zinc/58/25/28/680582528.db2.gz	ZHXOSUNJEQPGPC-RTXFEEFZSA-N	1	1	367.906	2.411	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CCCO)C2)C1	ZINC001045973366	680642628	/nfs/dbraw/zinc/64/26/28/680642628.db2.gz	PDJWGHGHROHJIC-CMKODMSKSA-N	1	1	350.503	2.055	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000837771050	680646636	/nfs/dbraw/zinc/64/66/36/680646636.db2.gz	BGFIYHTTYPORMI-LSDHHAIUSA-N	1	1	358.404	2.292	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000837771050	680646637	/nfs/dbraw/zinc/64/66/37/680646637.db2.gz	BGFIYHTTYPORMI-LSDHHAIUSA-N	1	1	358.404	2.292	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H](Nc2snc(Cl)c2C#N)C1	ZINC001047216495	680658579	/nfs/dbraw/zinc/65/85/79/680658579.db2.gz	FYMRPIAMALZSDM-DMDPSCGWSA-N	1	1	367.906	2.459	20	30		FEEDMO
N#Cc1c2c(cn(CN3CC[NH+](Cc4ccsc4)CC3)c1=O)CCC2	ZINC000766612708	680882557	/nfs/dbraw/zinc/88/25/57/680882557.db2.gz	YOKZOHKPHOORSQ-UHFFFAOYSA-N	1	1	354.479	2.045	20	30		FEEDMO
C#CCCN(CC(F)(F)F)C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C	ZINC000767208329	680902756	/nfs/dbraw/zinc/90/27/56/680902756.db2.gz	VOVRYRMEQJNSEU-UHFFFAOYSA-N	1	1	353.348	2.062	20	30		FEEDMO
CCC[N@@H+](CC(=O)NCCC#N)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000768543985	680949807	/nfs/dbraw/zinc/94/98/07/680949807.db2.gz	ZAAHCZPWGGTPPM-UHFFFAOYSA-N	1	1	352.479	2.128	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CC(=O)NCCC#N)[C@@H]1CCNC(=O)OC(C)(C)C	ZINC000844399035	681056291	/nfs/dbraw/zinc/05/62/91/681056291.db2.gz	ZYTWNBKCHCNHJE-LSDHHAIUSA-N	1	1	352.479	2.032	20	30		FEEDMO
C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)CC1	ZINC001052093135	681071244	/nfs/dbraw/zinc/07/12/44/681071244.db2.gz	JQLXZBFONMOQAE-RCCFBDPRSA-N	1	1	357.523	2.012	20	30		FEEDMO
C[C@H]1C[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](C)CN1C(=O)OC(C)(C)C	ZINC000772323117	681092842	/nfs/dbraw/zinc/09/28/42/681092842.db2.gz	HJKVZCOQNMNFLQ-GJZGRUSLSA-N	1	1	352.479	2.078	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccccc1S(N)(=O)=O	ZINC000773122712	681126579	/nfs/dbraw/zinc/12/65/79/681126579.db2.gz	LWJDXASPFMDUOJ-AWEZNQCLSA-N	1	1	358.467	2.254	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC(Nc3ncc(C#N)cc3Cl)CC2)CC[N@H+]1C	ZINC001057443216	681160632	/nfs/dbraw/zinc/16/06/32/681160632.db2.gz	BWOFCJPMUSNBOF-IUODEOHRSA-N	1	1	361.877	2.350	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001059443960	681180703	/nfs/dbraw/zinc/18/07/03/681180703.db2.gz	YOJZMWZLXVQHMV-GWOFURMSSA-N	1	1	353.879	2.067	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccc(Br)c(C#N)n3)C[C@]2(C)C1	ZINC000932159234	681185299	/nfs/dbraw/zinc/18/52/99/681185299.db2.gz	WNIZWJQYLJZCON-BMIGLBTASA-N	1	1	364.247	2.131	20	30		FEEDMO
N#Cc1cc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)c(F)cc1F	ZINC000932209956	681196887	/nfs/dbraw/zinc/19/68/87/681196887.db2.gz	JOQHTNJLFKWBCI-ZDUSSCGKSA-N	1	1	350.369	2.211	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)C[C@@H]2C1	ZINC000846187604	681197430	/nfs/dbraw/zinc/19/74/30/681197430.db2.gz	LGZCEKIZHPLMFN-HIFRSBDPSA-N	1	1	362.271	2.273	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](CC#N)C(F)(F)F)cn1	ZINC000932928120	681330240	/nfs/dbraw/zinc/33/02/40/681330240.db2.gz	WYNGDFRJFVGTQK-LBPRGKRZSA-N	1	1	352.320	2.220	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CCCO1	ZINC000775785971	681335310	/nfs/dbraw/zinc/33/53/10/681335310.db2.gz	UFNDAUYRGBKXON-GJZGRUSLSA-N	1	1	358.335	2.231	20	30		FEEDMO
C#C[C@H]([NH2+][C@H](C)C(=O)Nc1sc(C)cc1C(=O)OCC)[C@@H]1CCCO1	ZINC000775791271	681335355	/nfs/dbraw/zinc/33/53/55/681335355.db2.gz	LOSITBQMXJMFPQ-SNPRPXQTSA-N	1	1	364.467	2.331	20	30		FEEDMO
C#C[C@@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)[C@@H]1CCCO1	ZINC000775793746	681335701	/nfs/dbraw/zinc/33/57/01/681335701.db2.gz	NMWFBKALMZWXMX-WBVHZDCISA-N	1	1	356.447	2.119	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H]1CCCO1	ZINC000775806892	681337192	/nfs/dbraw/zinc/33/71/92/681337192.db2.gz	OKGHANXZZJTRGB-JSGCOSHPSA-N	1	1	352.818	2.066	20	30		FEEDMO
C=CCCC[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1	ZINC000776833947	681439639	/nfs/dbraw/zinc/43/96/39/681439639.db2.gz	AGDSUTGDQZECMC-MRXNPFEDSA-N	1	1	351.491	2.496	20	30		FEEDMO
CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000934041062	681499743	/nfs/dbraw/zinc/49/97/43/681499743.db2.gz	DNGWBYBJVKKMBI-HUUCEWRRSA-N	1	1	363.483	2.221	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](CC[C@@H](C)F)CCO2	ZINC000949476673	681642378	/nfs/dbraw/zinc/64/23/78/681642378.db2.gz	BLAFNGQLEJBJQU-ZACQAIPSSA-N	1	1	354.466	2.019	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1	ZINC000934833465	681645714	/nfs/dbraw/zinc/64/57/14/681645714.db2.gz	KCMXBIZABFNVPK-ZWKOTPCHSA-N	1	1	362.495	2.471	20	30		FEEDMO
C=C(Br)CN1CC(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC000950363805	681686346	/nfs/dbraw/zinc/68/63/46/681686346.db2.gz	RJKAOZQQCWLYAZ-LSDHHAIUSA-N	1	1	358.324	2.158	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cc(Br)ncc2Cl)CC1	ZINC000779770759	681751740	/nfs/dbraw/zinc/75/17/40/681751740.db2.gz	YZXBZYBLTFHPOE-UHFFFAOYSA-N	1	1	357.639	2.215	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(SC)ccc1Cl	ZINC000850459967	681904606	/nfs/dbraw/zinc/90/46/06/681904606.db2.gz	KZPWKVLTZFFLLH-UHFFFAOYSA-N	1	1	353.875	2.072	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000914259274	685501231	/nfs/dbraw/zinc/50/12/31/685501231.db2.gz	OPHITJFTQJPRDB-PKOBYXMFSA-N	1	1	361.511	2.421	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21	ZINC000914267251	685501676	/nfs/dbraw/zinc/50/16/76/685501676.db2.gz	HCDMMBQCSPRMCR-MJGOQNOKSA-N	1	1	361.511	2.421	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CNC(=O)O2)CC1	ZINC000782000591	681996459	/nfs/dbraw/zinc/99/64/59/681996459.db2.gz	UQHADPGSWGYTHV-LLVKDONJSA-N	1	1	362.817	2.113	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@@H]1CCc2[nH+]ccn2C1	ZINC000914404026	685506981	/nfs/dbraw/zinc/50/69/81/685506981.db2.gz	NXNOQSJWTGENCA-HNNXBMFYSA-N	1	1	358.467	2.054	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1	ZINC000940287795	682046695	/nfs/dbraw/zinc/04/66/95/682046695.db2.gz	NFOXYDRDACXPPF-VNHYZAJKSA-N	1	1	355.910	2.213	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cc(OC)ns1	ZINC000960883527	682068311	/nfs/dbraw/zinc/06/83/11/682068311.db2.gz	MIZZOASFFXJSHP-BMFZPTHFSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cc(OC)ns1	ZINC000960883527	682068317	/nfs/dbraw/zinc/06/83/17/682068317.db2.gz	MIZZOASFFXJSHP-BMFZPTHFSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=CCn1c(C)nn(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1=S	ZINC000782898332	682092181	/nfs/dbraw/zinc/09/21/81/682092181.db2.gz	KWUCJWJZUWPGON-AWEZNQCLSA-N	1	1	351.520	2.051	20	30		FEEDMO
FC(F)(F)[C@H]1CCCC(=NNC(=S)NCCC[NH+]2CCOCC2)C1	ZINC000783511727	682148259	/nfs/dbraw/zinc/14/82/59/682148259.db2.gz	LPMJQKHYLTZOAP-LBPRGKRZSA-N	1	1	366.453	2.281	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=Cc1cccc2ccccc12	ZINC000916310553	685523496	/nfs/dbraw/zinc/52/34/96/685523496.db2.gz	WZGNSPKEEZUIQA-UHFFFAOYSA-N	1	1	356.495	2.360	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cc(C#N)ccc1OCCOC	ZINC000783789554	682177118	/nfs/dbraw/zinc/17/71/18/682177118.db2.gz	PBVURZUYHHBRFQ-OAHLLOKOSA-N	1	1	362.499	2.354	20	30		FEEDMO
C#C[C@@H](NC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)C1CCOCC1	ZINC000851953092	682191160	/nfs/dbraw/zinc/19/11/60/682191160.db2.gz	XFOZQUJMDXBOMG-RHSMWYFYSA-N	1	1	361.511	2.222	20	30		FEEDMO
C#C[C@@H](NC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)C1CCOCC1	ZINC000851953092	682191163	/nfs/dbraw/zinc/19/11/63/682191163.db2.gz	XFOZQUJMDXBOMG-RHSMWYFYSA-N	1	1	361.511	2.222	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CCOC2=O)C1	ZINC000852435791	682278277	/nfs/dbraw/zinc/27/82/77/682278277.db2.gz	BEPZPBMXNACAGC-HUUCEWRRSA-N	1	1	363.483	2.178	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CCOC2=O)C1	ZINC000852435791	682278280	/nfs/dbraw/zinc/27/82/80/682278280.db2.gz	BEPZPBMXNACAGC-HUUCEWRRSA-N	1	1	363.483	2.178	20	30		FEEDMO
C[C@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1C[NH+](Cc2ccc(C#N)s2)C1	ZINC000970176222	682286858	/nfs/dbraw/zinc/28/68/58/682286858.db2.gz	BYMMQDZJMCURFX-DSIZOQBWSA-N	1	1	359.495	2.371	20	30		FEEDMO
C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCO[C@H]3C(C)C)C2)C1	ZINC000972389216	682412859	/nfs/dbraw/zinc/41/28/59/682412859.db2.gz	IRQUDUCNAYHRIM-CMKODMSKSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CC(C)C)CCO2	ZINC000972595202	682425188	/nfs/dbraw/zinc/42/51/88/682425188.db2.gz	WHOBZYYWANTEAB-BJLQDIEVSA-N	1	1	350.503	2.317	20	30		FEEDMO
C[C@@H]1CCSCC[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000790480467	682681139	/nfs/dbraw/zinc/68/11/39/682681139.db2.gz	LNGJJWGMJCWQEB-ACJLOTCBSA-N	1	1	358.467	2.110	20	30		FEEDMO
C[C@@H]1CCSCC[N@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000790480467	682681141	/nfs/dbraw/zinc/68/11/41/682681141.db2.gz	LNGJJWGMJCWQEB-ACJLOTCBSA-N	1	1	358.467	2.110	20	30		FEEDMO
C#C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2NC1=O)[C@H]1CCCO1	ZINC000859258355	683067287	/nfs/dbraw/zinc/06/72/87/683067287.db2.gz	NHHHEAZKLLOQOF-CWRNSKLLSA-N	1	1	363.255	2.473	20	30		FEEDMO
C=C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1	ZINC000796050201	683122861	/nfs/dbraw/zinc/12/28/61/683122861.db2.gz	PGRADYSYXNLQCZ-MRXNPFEDSA-N	1	1	351.491	2.496	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C	ZINC000796690686	683186345	/nfs/dbraw/zinc/18/63/45/683186345.db2.gz	VKXCGKPGAJKWMS-HUUCEWRRSA-N	1	1	350.459	2.273	20	30		FEEDMO
N#CCSCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1	ZINC000860050519	683195058	/nfs/dbraw/zinc/19/50/58/683195058.db2.gz	XADHWWDKYZPUBD-XUXIUFHCSA-N	1	1	361.433	2.364	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1cn2ccc(Br)cc2n1	ZINC000796988296	683213694	/nfs/dbraw/zinc/21/36/94/683213694.db2.gz	IAGIFWYFNCGYNG-ZDUSSCGKSA-N	1	1	362.227	2.351	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cn2ccc(Br)cc2n1	ZINC000796988296	683213696	/nfs/dbraw/zinc/21/36/96/683213696.db2.gz	IAGIFWYFNCGYNG-ZDUSSCGKSA-N	1	1	362.227	2.351	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)C1(C(=O)OC(C)(C)C)CCSCC1	ZINC000860530204	683256674	/nfs/dbraw/zinc/25/66/74/683256674.db2.gz	SDPVMFWONCGQPG-HNNXBMFYSA-N	1	1	367.511	2.482	20	30		FEEDMO
C=CC[N@@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000798184108	683318894	/nfs/dbraw/zinc/31/88/94/683318894.db2.gz	RSTKXFYEFSEVTP-CVEARBPZSA-N	1	1	374.547	2.458	20	30		FEEDMO
C=CC[N@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000798184108	683318899	/nfs/dbraw/zinc/31/88/99/683318899.db2.gz	RSTKXFYEFSEVTP-CVEARBPZSA-N	1	1	374.547	2.458	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000928103240	683394468	/nfs/dbraw/zinc/39/44/68/683394468.db2.gz	LOBVAPOTFWPEDM-DLBZAZTESA-N	1	1	359.495	2.412	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12	ZINC000928103240	683394477	/nfs/dbraw/zinc/39/44/77/683394477.db2.gz	LOBVAPOTFWPEDM-DLBZAZTESA-N	1	1	359.495	2.412	20	30		FEEDMO
CC(=NNCCC[NH+]1CCOCC1)c1cc(Br)ccc1O	ZINC000799487042	683459510	/nfs/dbraw/zinc/45/95/10/683459510.db2.gz	ZXDFPYLKKGUDNL-UHFFFAOYSA-N	1	1	356.264	2.191	20	30		FEEDMO
CC(C)c1[nH+]ccn1CCNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000921528474	683493406	/nfs/dbraw/zinc/49/34/06/683493406.db2.gz	VCSJNGLAEBCKJM-UHFFFAOYSA-N	1	1	350.419	2.137	20	30		FEEDMO
CC[C@H]([NH2+]Cc1cc(C#N)ccc1Br)C(=O)N1CCOCC1	ZINC000921820271	683583047	/nfs/dbraw/zinc/58/30/47/683583047.db2.gz	FCSPIUOXSNPOKI-HNNXBMFYSA-N	1	1	366.259	2.048	20	30		FEEDMO
O=S1(=O)CCC[C@@H](NN=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1	ZINC000863134224	683680461	/nfs/dbraw/zinc/68/04/61/683680461.db2.gz	ORASUNSVWKBSRV-QRQLOZEOSA-N	1	1	361.511	2.336	20	30		FEEDMO
N#Cc1ccc(Br)c(C[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c1	ZINC000922226732	683682528	/nfs/dbraw/zinc/68/25/28/683682528.db2.gz	NEINZFUIYWVFNO-ZDUSSCGKSA-N	1	1	350.216	2.394	20	30		FEEDMO
N#CC[C@@H](O)C[NH2+][C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1	ZINC000930195645	683691466	/nfs/dbraw/zinc/69/14/66/683691466.db2.gz	UGCGCWYGDOLWME-CABCVRRESA-N	1	1	355.360	2.233	20	30		FEEDMO
N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1	ZINC000930278264	683703575	/nfs/dbraw/zinc/70/35/75/683703575.db2.gz	JMVZKUWRPKYNFS-QZTJIDSGSA-N	1	1	361.873	2.470	20	30		FEEDMO
C[C@H](CC#N)[NH2+]C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2	ZINC000930866097	683794533	/nfs/dbraw/zinc/79/45/33/683794533.db2.gz	BCNVSEMULMSDSY-ABAIWWIYSA-N	1	1	355.360	2.059	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1	ZINC000931151066	683842519	/nfs/dbraw/zinc/84/25/19/683842519.db2.gz	MEPBVIPCDWREDT-OAHLLOKOSA-N	1	1	352.356	2.271	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc[nH+]c1C	ZINC000865067304	683930197	/nfs/dbraw/zinc/93/01/97/683930197.db2.gz	SVSPGQPBKRHDNO-ZDUSSCGKSA-N	1	1	356.854	2.344	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1	ZINC000866271225	684087288	/nfs/dbraw/zinc/08/72/88/684087288.db2.gz	GFNYSQVIHAGTIT-TZMCWYRMSA-N	1	1	359.898	2.480	20	30		FEEDMO
N#Cc1cc(F)cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000866994071	684193161	/nfs/dbraw/zinc/19/31/61/684193161.db2.gz	OCFLDBIUJSZOPU-RDTXWAMCSA-N	1	1	363.458	2.335	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1	ZINC000931440861	684283298	/nfs/dbraw/zinc/28/32/98/684283298.db2.gz	NQWZDTNSOGCKGY-HZSPNIEDSA-N	1	1	358.511	2.319	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1	ZINC000923556717	684305123	/nfs/dbraw/zinc/30/51/23/684305123.db2.gz	HXLZHSOKNVVZKN-NSHDSACASA-N	1	1	355.316	2.441	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1	ZINC000923556717	684305128	/nfs/dbraw/zinc/30/51/28/684305128.db2.gz	HXLZHSOKNVVZKN-NSHDSACASA-N	1	1	355.316	2.441	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1	ZINC000923579235	684307789	/nfs/dbraw/zinc/30/77/89/684307789.db2.gz	NAMMJSGQKVHGSS-LBPRGKRZSA-N	1	1	363.439	2.153	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1	ZINC000923579235	684307793	/nfs/dbraw/zinc/30/77/93/684307793.db2.gz	NAMMJSGQKVHGSS-LBPRGKRZSA-N	1	1	363.439	2.153	20	30		FEEDMO
N#Cc1cc(F)cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1	ZINC000867539333	684308687	/nfs/dbraw/zinc/30/86/87/684308687.db2.gz	CWPJFLFIGHACNG-CQSZACIVSA-N	1	1	351.447	2.098	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)CCCc2nc(-c3cccs3)no2)C1	ZINC000923584152	684308906	/nfs/dbraw/zinc/30/89/06/684308906.db2.gz	UYMHHJATXMXCMN-CQSZACIVSA-N	1	1	358.467	2.335	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCc2nc(-c3cccs3)no2)C1	ZINC000923584152	684308909	/nfs/dbraw/zinc/30/89/09/684308909.db2.gz	UYMHHJATXMXCMN-CQSZACIVSA-N	1	1	358.467	2.335	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2nn(C(C)C)cc2Br)C1	ZINC000923596603	684311276	/nfs/dbraw/zinc/31/12/76/684311276.db2.gz	IKBXZACIDLWTKR-LBPRGKRZSA-N	1	1	353.264	2.054	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2nn(C(C)C)cc2Br)C1	ZINC000923596603	684311279	/nfs/dbraw/zinc/31/12/79/684311279.db2.gz	IKBXZACIDLWTKR-LBPRGKRZSA-N	1	1	353.264	2.054	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@@H+](CCCSCC#N)C2)C1	ZINC000931852283	684356993	/nfs/dbraw/zinc/35/69/93/684356993.db2.gz	OJCINNVFFKXUOC-QGZVFWFLSA-N	1	1	355.504	2.345	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1	ZINC000868582119	684513728	/nfs/dbraw/zinc/51/37/28/684513728.db2.gz	SKPFPVPWSYQIHQ-IYBDPMFKSA-N	1	1	351.491	2.141	20	30		FEEDMO
Cc1nsc(N2CC[NH+](C[C@@H]3CC4(CO3)CCOCC4)CC2)c1C#N	ZINC000878630175	686624222	/nfs/dbraw/zinc/62/42/22/686624222.db2.gz	TUMRAELNDFPWME-HNNXBMFYSA-N	1	1	362.499	2.031	20	30		FEEDMO
CCCCCCCS(=O)(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000882616414	687409533	/nfs/dbraw/zinc/40/95/33/687409533.db2.gz	CFAJFABXUMNMFX-UHFFFAOYSA-N	1	1	373.563	2.092	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)NCc2nc3cccc(Cl)c3n2C)C1	ZINC000884274636	687834558	/nfs/dbraw/zinc/83/45/58/687834558.db2.gz	QTEWVSXROIGLLZ-ZDUSSCGKSA-N	1	1	359.861	2.124	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2nc3cccc(Cl)c3n2C)C1	ZINC000884274636	687834570	/nfs/dbraw/zinc/83/45/70/687834570.db2.gz	QTEWVSXROIGLLZ-ZDUSSCGKSA-N	1	1	359.861	2.124	20	30		FEEDMO
C#CC[N@@H+](CC(=O)NCC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427854	688254375	/nfs/dbraw/zinc/25/43/75/688254375.db2.gz	ZTPWCVXYNKGBRU-UHFFFAOYSA-N	1	1	351.491	2.093	20	30		FEEDMO
C#CC[N@H+](CC(=O)NCC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427854	688254379	/nfs/dbraw/zinc/25/43/79/688254379.db2.gz	ZTPWCVXYNKGBRU-UHFFFAOYSA-N	1	1	351.491	2.093	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)C[C@]2(C)C1	ZINC000887924395	688520385	/nfs/dbraw/zinc/52/03/85/688520385.db2.gz	JNAJAYJYDBUPOU-PBHICJAKSA-N	1	1	362.271	2.273	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)NCc2nc(C#N)cs2)CC[N@H+]1Cc1ccccc1	ZINC000894884959	689613982	/nfs/dbraw/zinc/61/39/82/689613982.db2.gz	MSMNOAVGUAZKAU-CJNGLKHVSA-N	1	1	355.467	2.477	20	30		FEEDMO
C[C@@H](CNC(=O)N(C)Cc1cc(C#N)cs1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000895606288	689743557	/nfs/dbraw/zinc/74/35/57/689743557.db2.gz	PLEWBUQIVSUSSU-MELADBBJSA-N	1	1	350.488	2.259	20	30		FEEDMO
C[C@@H](CNC(=O)N(C)Cc1cc(C#N)cs1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000895606288	689743559	/nfs/dbraw/zinc/74/35/59/689743559.db2.gz	PLEWBUQIVSUSSU-MELADBBJSA-N	1	1	350.488	2.259	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12	ZINC000896608982	689905783	/nfs/dbraw/zinc/90/57/83/689905783.db2.gz	KRBQUIOIATXQEE-GJZGRUSLSA-N	1	1	350.513	2.341	20	30		FEEDMO
COCCN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000906502378	691277774	/nfs/dbraw/zinc/27/77/74/691277774.db2.gz	QWRBHDOSMYHXJR-QGZVFWFLSA-N	1	1	365.499	2.070	20	30		FEEDMO
CN1CC[N@@H+](C)CC(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)C1	ZINC000906630401	691294733	/nfs/dbraw/zinc/29/47/33/691294733.db2.gz	QFLXGAIANGZVLZ-OAHLLOKOSA-N	1	1	355.269	2.168	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)s1	ZINC000910366200	691922128	/nfs/dbraw/zinc/92/21/28/691922128.db2.gz	DBXYAFHAQRLFRK-UHFFFAOYSA-N	1	1	350.488	2.068	20	30		FEEDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc([N+](=O)[O-])cc1C#N)CC2	ZINC001164648218	719309882	/nfs/dbraw/zinc/30/98/82/719309882.db2.gz	GEUVECAZJBGDQA-UHFFFAOYSA-N	1	1	369.429	2.263	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CN(c3ccc(COc4ccc(CC#N)cc4)cn3)C[C@@H]21	ZINC001164673086	719449432	/nfs/dbraw/zinc/44/94/32/719449432.db2.gz	SJZWFFUAVVMNCP-PMACEKPBSA-N	1	1	364.449	2.246	20	30		FEEDMO
N#CCc1cncc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1	ZINC001164698370	719897191	/nfs/dbraw/zinc/89/71/91/719897191.db2.gz	SBNSJAFHRIXICQ-UHFFFAOYSA-N	1	1	369.494	2.476	20	30		FEEDMO
N#Cc1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1	ZINC001164867944	721039248	/nfs/dbraw/zinc/03/92/48/721039248.db2.gz	LDJSIMYTKWMVNQ-IRXDYDNUSA-N	1	1	369.856	2.481	20	30		FEEDMO
N#Cc1cc2nc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)ccc2[nH]1	ZINC001164880681	721134481	/nfs/dbraw/zinc/13/44/81/721134481.db2.gz	WZGMFVVAESZNMB-ZWKOTPCHSA-N	1	1	374.448	2.309	20	30		FEEDMO
Cc1ccc(C#N)c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164891892	721393730	/nfs/dbraw/zinc/39/37/30/721393730.db2.gz	RJMOVONTNSXJLC-CTNGQTDRSA-N	1	1	369.513	2.027	20	30		FEEDMO
N#Cc1cc(Cl)nnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164900137	721522191	/nfs/dbraw/zinc/52/21/91/721522191.db2.gz	OKJFWLDZFXKQOB-HOCLYGCPSA-N	1	1	373.819	2.483	20	30		FEEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(C#N)c(C#N)n3)C[C@H]21	ZINC001165026290	721826043	/nfs/dbraw/zinc/82/60/43/721826043.db2.gz	OOLSGXQPPORLDI-XAUMDUMWSA-N	1	1	373.464	2.352	20	30		FEEDMO
Cc1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N	ZINC001164980688	722103353	/nfs/dbraw/zinc/10/33/53/722103353.db2.gz	JYCGMPJYFUEBHE-QUCCMNQESA-N	1	1	363.465	2.384	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H](C)Oc1ccccc1Br	ZINC000818602760	675227697	/nfs/dbraw/zinc/22/76/97/675227697.db2.gz	COHXEGUBBGVQFW-ZDUSSCGKSA-N	1	1	353.260	2.288	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNc3ccc(C#N)c(N)n3)cc2)CC1	ZINC000517246325	539357140	/nfs/dbraw/zinc/35/71/40/539357140.db2.gz	RNMMRKQUXKXTGO-UHFFFAOYSA-N	1	1	350.470	2.285	20	30		FEEDMO
N#Cc1cccc(NC(=O)CN2CC[NH+](CCOc3ccccc3)CC2)c1	ZINC000023334028	539712265	/nfs/dbraw/zinc/71/22/65/539712265.db2.gz	ANUBIQOOMGQMBG-UHFFFAOYSA-N	1	1	364.449	2.193	20	30		FEEDMO
C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(C#N)c2ccccc2n1	ZINC000528135364	539733415	/nfs/dbraw/zinc/73/34/15/539733415.db2.gz	WDIOUDFQPUEMEZ-FQEVSTJZSA-N	1	1	352.438	2.134	20	30		FEEDMO
C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc(C#N)c2ccccc2n1	ZINC000528135364	539733421	/nfs/dbraw/zinc/73/34/21/539733421.db2.gz	WDIOUDFQPUEMEZ-FQEVSTJZSA-N	1	1	352.438	2.134	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1	ZINC000024713486	539739393	/nfs/dbraw/zinc/73/93/93/539739393.db2.gz	MCNVPVJJIPMQMF-UHFFFAOYSA-N	1	1	355.463	2.455	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1	ZINC000024713486	539739396	/nfs/dbraw/zinc/73/93/96/539739396.db2.gz	MCNVPVJJIPMQMF-UHFFFAOYSA-N	1	1	355.463	2.455	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1	ZINC000025698668	539766724	/nfs/dbraw/zinc/76/67/24/539766724.db2.gz	LMXJNDXYRGGFBG-TZIWHRDSSA-N	1	1	369.440	2.448	20	30		FEEDMO
C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccc(CC#N)cc1	ZINC000025867986	539771232	/nfs/dbraw/zinc/77/12/32/539771232.db2.gz	QSZKERPFYPFGCB-QGZVFWFLSA-N	1	1	354.406	2.353	20	30		FEEDMO
Cn1ncc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1=O	ZINC000026082987	539776670	/nfs/dbraw/zinc/77/66/70/539776670.db2.gz	KYCYMNDXGDVVRI-UHFFFAOYSA-N	1	1	357.845	2.018	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1N1CCOCC1	ZINC000027511556	539808490	/nfs/dbraw/zinc/80/84/90/539808490.db2.gz	OEZWHMVOCAPKDG-UWJYYQICSA-N	1	1	372.513	2.398	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1N1CCOCC1	ZINC000027511556	539808494	/nfs/dbraw/zinc/80/84/94/539808494.db2.gz	OEZWHMVOCAPKDG-UWJYYQICSA-N	1	1	372.513	2.398	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)c2ccccc2)CC1	ZINC000028876786	539838597	/nfs/dbraw/zinc/83/85/97/539838597.db2.gz	SZYDVXNYHGKGON-UHFFFAOYSA-N	1	1	362.433	2.345	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000029780911	539864777	/nfs/dbraw/zinc/86/47/77/539864777.db2.gz	UTHIDLZSWGANJV-XHSDSOJGSA-N	1	1	359.470	2.330	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000029780911	539864779	/nfs/dbraw/zinc/86/47/79/539864779.db2.gz	UTHIDLZSWGANJV-XHSDSOJGSA-N	1	1	359.470	2.330	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000041791322	540032840	/nfs/dbraw/zinc/03/28/40/540032840.db2.gz	ZPVBHOQJOGIEDR-IYBDPMFKSA-N	1	1	356.470	2.371	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC3(CC2)OCCO3)cc1	ZINC000045750480	540224875	/nfs/dbraw/zinc/22/48/75/540224875.db2.gz	CPGROPIRMGWRPN-QGZVFWFLSA-N	1	1	357.454	2.469	20	30		FEEDMO
COc1cccc([C@H](CNS(=O)(=O)c2ccc(C#N)cc2)[NH+](C)C)c1	ZINC000047032883	540286409	/nfs/dbraw/zinc/28/64/09/540286409.db2.gz	KQECJTHAQSPPLX-SFHVURJKSA-N	1	1	359.451	2.148	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1	ZINC000047214013	540296980	/nfs/dbraw/zinc/29/69/80/540296980.db2.gz	JTQSWYUBACNTSJ-HNNXBMFYSA-N	1	1	372.513	2.424	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1	ZINC000052594179	540476185	/nfs/dbraw/zinc/47/61/85/540476185.db2.gz	SIJFJMDEPBAFIE-SFHVURJKSA-N	1	1	355.486	2.264	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccn3)CC2)c1	ZINC000052828399	540491851	/nfs/dbraw/zinc/49/18/51/540491851.db2.gz	AEHMYLZIVWCVJP-UHFFFAOYSA-N	1	1	363.421	2.242	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)NCC[N@@H+]1CCc2sccc2C1	ZINC000054220590	540575522	/nfs/dbraw/zinc/57/55/22/540575522.db2.gz	ZRKRNVQAVFVJFE-UHFFFAOYSA-N	1	1	371.462	2.182	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)NCC[N@H+]1CCc2sccc2C1	ZINC000054220590	540575523	/nfs/dbraw/zinc/57/55/23/540575523.db2.gz	ZRKRNVQAVFVJFE-UHFFFAOYSA-N	1	1	371.462	2.182	20	30		FEEDMO
CN(Cc1ccco1)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000054868011	540614692	/nfs/dbraw/zinc/61/46/92/540614692.db2.gz	ZRLNFVXWFHJXJR-UHFFFAOYSA-N	1	1	366.465	2.318	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(OCc2ccccc2)CC1	ZINC000054983916	540619531	/nfs/dbraw/zinc/61/95/31/540619531.db2.gz	XPWGWMWGLANPPS-UHFFFAOYSA-N	1	1	354.454	2.324	20	30		FEEDMO
CC(C)CCOCCNC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000055903239	540685105	/nfs/dbraw/zinc/68/51/05/540685105.db2.gz	YUXXXVNCOAILMR-UHFFFAOYSA-N	1	1	372.513	2.249	20	30		FEEDMO
CC(C)CCOCCNC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000055903239	540685107	/nfs/dbraw/zinc/68/51/07/540685107.db2.gz	YUXXXVNCOAILMR-UHFFFAOYSA-N	1	1	372.513	2.249	20	30		FEEDMO
CC[N@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)[C@H](C)c1ccc(C#N)cc1	ZINC000060469340	541113020	/nfs/dbraw/zinc/11/30/20/541113020.db2.gz	ZRRUPHIVPUZVIX-IAGOWNOFSA-N	1	1	370.497	2.458	20	30		FEEDMO
CC[N@@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)[C@H](C)c1ccc(C#N)cc1	ZINC000060469340	541113024	/nfs/dbraw/zinc/11/30/24/541113024.db2.gz	ZRRUPHIVPUZVIX-IAGOWNOFSA-N	1	1	370.497	2.458	20	30		FEEDMO
C=CC[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1cccc(C#N)c1	ZINC000063300401	541163273	/nfs/dbraw/zinc/16/32/73/541163273.db2.gz	LCCIIAWZCULPDI-UHFFFAOYSA-N	1	1	371.462	2.273	20	30		FEEDMO
C=CCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000064026989	541192689	/nfs/dbraw/zinc/19/26/89/541192689.db2.gz	UUZABJWNQIHUBU-GOSISDBHSA-N	1	1	362.495	2.098	20	30		FEEDMO
COc1ccc(C[NH2+]CC(C)(C)N2CCN(C)CC2)cc1OCCCC#N	ZINC000064613901	541213177	/nfs/dbraw/zinc/21/31/77/541213177.db2.gz	VAFRLLBUEZLEGU-UHFFFAOYSA-N	1	1	374.529	2.493	20	30		FEEDMO
CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1	ZINC000066241172	541294248	/nfs/dbraw/zinc/29/42/48/541294248.db2.gz	VZYQIZALFIABST-UHFFFAOYSA-N	1	1	366.469	2.273	20	30		FEEDMO
N#Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1F	ZINC000066748931	541369168	/nfs/dbraw/zinc/36/91/68/541369168.db2.gz	LOQZVTKXGPXYED-UHFFFAOYSA-N	1	1	353.397	2.421	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1	ZINC000068095555	541548021	/nfs/dbraw/zinc/54/80/21/541548021.db2.gz	BLFJYDWXNVSKEU-HZPDHXFCSA-N	1	1	357.454	2.037	20	30		FEEDMO
C=CC[N@@H+](CCc1ccccc1)CC(=O)N[C@@H](C(=O)NC)c1ccccc1	ZINC000068334401	541578122	/nfs/dbraw/zinc/57/81/22/541578122.db2.gz	FLGRYTZQRZPDJU-OAQYLSRUSA-N	1	1	365.477	2.321	20	30		FEEDMO
C=CC[N@H+](CCc1ccccc1)CC(=O)N[C@@H](C(=O)NC)c1ccccc1	ZINC000068334401	541578124	/nfs/dbraw/zinc/57/81/24/541578124.db2.gz	FLGRYTZQRZPDJU-OAQYLSRUSA-N	1	1	365.477	2.321	20	30		FEEDMO
N#CCCCCS(=O)(=O)NC1CC[NH+](Cc2ccccc2F)CC1	ZINC000068895953	541637962	/nfs/dbraw/zinc/63/79/62/541637962.db2.gz	ROEVJUACILIARG-UHFFFAOYSA-N	1	1	353.463	2.403	20	30		FEEDMO
COCC[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1ccc(C#N)cc1	ZINC000069072272	541653840	/nfs/dbraw/zinc/65/38/40/541653840.db2.gz	WQHOLBCRMVWGIW-UHFFFAOYSA-N	1	1	363.417	2.303	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[NH+]1CCOCC1	ZINC000070791931	541743947	/nfs/dbraw/zinc/74/39/47/541743947.db2.gz	PXXUMGZSQWDJCE-UHFFFAOYSA-N	1	1	353.382	2.306	20	30		FEEDMO
N#CCSCCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2)C1	ZINC000072517787	541824858	/nfs/dbraw/zinc/82/48/58/541824858.db2.gz	SLVOOJGCPSBCTJ-OAHLLOKOSA-N	1	1	353.513	2.076	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1	ZINC000072965791	541899207	/nfs/dbraw/zinc/89/92/07/541899207.db2.gz	JINXPQICPKMGQB-RTBURBONSA-N	1	1	359.518	2.229	20	30		FEEDMO
COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N)cc1OC(F)F	ZINC000073618002	541975629	/nfs/dbraw/zinc/97/56/29/541975629.db2.gz	UZPBPEAGZHRBSZ-LBPRGKRZSA-N	1	1	355.385	2.489	20	30		FEEDMO
COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)cc1OC(F)F	ZINC000073618002	541975631	/nfs/dbraw/zinc/97/56/31/541975631.db2.gz	UZPBPEAGZHRBSZ-LBPRGKRZSA-N	1	1	355.385	2.489	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H](O)COCc1ccccc1	ZINC000074289374	542064497	/nfs/dbraw/zinc/06/44/97/542064497.db2.gz	RMLVZJDGEROQQG-IBGZPJMESA-N	1	1	353.422	2.006	20	30		FEEDMO
C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@H](O)COCc1ccccc1	ZINC000074289374	542064500	/nfs/dbraw/zinc/06/45/00/542064500.db2.gz	RMLVZJDGEROQQG-IBGZPJMESA-N	1	1	353.422	2.006	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000076333943	542262188	/nfs/dbraw/zinc/26/21/88/542262188.db2.gz	GLRDJLKBMPJCDL-KBPBESRZSA-N	1	1	372.494	2.372	20	30		FEEDMO
C[NH+]1CCN(CC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1	ZINC000076410974	542275455	/nfs/dbraw/zinc/27/54/55/542275455.db2.gz	RDWKZOCPRZRDRW-UHFFFAOYSA-N	1	1	364.449	2.323	20	30		FEEDMO
N#Cc1ccc(OCc2ccc(C(=O)NCCC[NH+]3CCOCC3)o2)cc1	ZINC000076426397	542276847	/nfs/dbraw/zinc/27/68/47/542276847.db2.gz	SEEAMTIXRAZSRL-UHFFFAOYSA-N	1	1	369.421	2.182	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](CCC(N)=O)Cc1ccccc1	ZINC000077247853	542359063	/nfs/dbraw/zinc/35/90/63/542359063.db2.gz	WWQRKEFRTHJOOG-UHFFFAOYSA-N	1	1	353.422	2.323	20	30		FEEDMO
N#Cc1nnc2ccccc2c1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000077488195	542388290	/nfs/dbraw/zinc/38/82/90/542388290.db2.gz	LCMPSWXIICFFHI-QGZVFWFLSA-N	1	1	359.433	2.333	20	30		FEEDMO
N#Cc1ccc(CN2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)cc1	ZINC000081112036	542633370	/nfs/dbraw/zinc/63/33/70/542633370.db2.gz	LHADWXJYUXRXHN-UXHICEINSA-N	1	1	352.482	2.077	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCN(C(=O)c3cc(C#N)cn3C)CC2)cc1	ZINC000081603115	542667469	/nfs/dbraw/zinc/66/74/69/542667469.db2.gz	UNDZLQVHYBHOJW-UHFFFAOYSA-N	1	1	352.438	2.253	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(OC[C@H]2CCCO2)CC1	ZINC000083408320	542697492	/nfs/dbraw/zinc/69/74/92/542697492.db2.gz	LJMAGTNKCOWHMZ-FUHWJXTLSA-N	1	1	363.502	2.378	20	30		FEEDMO
COc1ccccc1NC1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1	ZINC000084881186	542721678	/nfs/dbraw/zinc/72/16/78/542721678.db2.gz	FGHJLOXVYSCPAH-UHFFFAOYSA-N	1	1	369.469	2.227	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Cc2cccc(OCC#N)c2)C[C@H](C)O1	ZINC000089781387	542770402	/nfs/dbraw/zinc/77/04/02/542770402.db2.gz	RUMXEYHMGMVAJX-SCTDSRPQSA-N	1	1	371.481	2.232	20	30		FEEDMO
N#Cc1ccc(CCC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1	ZINC000089959872	542776557	/nfs/dbraw/zinc/77/65/57/542776557.db2.gz	KQDDSZXZXADTQS-RTWAWAEBSA-N	1	1	363.461	2.242	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](CCC(F)(F)F)CC2CC2)CC1	ZINC000091590652	542814393	/nfs/dbraw/zinc/81/43/93/542814393.db2.gz	CBNTWNZMZPWENN-MRXNPFEDSA-N	1	1	374.451	2.343	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](CCC(F)(F)F)CC2CC2)CC1	ZINC000091590652	542814395	/nfs/dbraw/zinc/81/43/95/542814395.db2.gz	CBNTWNZMZPWENN-MRXNPFEDSA-N	1	1	374.451	2.343	20	30		FEEDMO
C[N@@H+](Cc1cccc(OCCCC#N)c1)C1CCN(S(C)(=O)=O)CC1	ZINC000091963813	542834181	/nfs/dbraw/zinc/83/41/81/542834181.db2.gz	JBPQLCWQBMLMAO-UHFFFAOYSA-N	1	1	365.499	2.225	20	30		FEEDMO
C[C@@H](CNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[N@@H+](C)C1CC1	ZINC000092235947	542850312	/nfs/dbraw/zinc/85/03/12/542850312.db2.gz	DYZQENBUFRKYDP-NXVRBGIVSA-N	1	1	371.485	2.425	20	30		FEEDMO
COc1cc(N[C@H]2CCC[N@@H+](CCC(=O)N(C)CCC#N)C2)cc(OC)c1	ZINC000092805998	542887853	/nfs/dbraw/zinc/88/78/53/542887853.db2.gz	KKHSDXXBXAENAA-INIZCTEOSA-N	1	1	374.485	2.342	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc(OC)c1O	ZINC000093014327	542902064	/nfs/dbraw/zinc/90/20/64/542902064.db2.gz	RQEYREJKHDIBNM-SFHVURJKSA-N	1	1	374.481	2.343	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc(OC)c1O	ZINC000093014327	542902066	/nfs/dbraw/zinc/90/20/66/542902066.db2.gz	RQEYREJKHDIBNM-SFHVURJKSA-N	1	1	374.481	2.343	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000097477125	543012112	/nfs/dbraw/zinc/01/21/12/543012112.db2.gz	GVTUQTVIKNNEHP-SJORKVTESA-N	1	1	372.517	2.192	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000097477125	543012114	/nfs/dbraw/zinc/01/21/14/543012114.db2.gz	GVTUQTVIKNNEHP-SJORKVTESA-N	1	1	372.517	2.192	20	30		FEEDMO
Cc1ccc(C[N@H+](C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)s1	ZINC000102773337	543080316	/nfs/dbraw/zinc/08/03/16/543080316.db2.gz	YIYZOXMVCQTXCF-UHFFFAOYSA-N	1	1	373.482	2.005	20	30		FEEDMO
Cc1ccc(C[N@@H+](C)CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)s1	ZINC000102773337	543080321	/nfs/dbraw/zinc/08/03/21/543080321.db2.gz	YIYZOXMVCQTXCF-UHFFFAOYSA-N	1	1	373.482	2.005	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1	ZINC000103143003	543094147	/nfs/dbraw/zinc/09/41/47/543094147.db2.gz	CZFZQVNPQNNCOE-KRWDZBQOSA-N	1	1	372.513	2.231	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC(C[N@H+](C)Cc2ccccc2)CC1	ZINC000103143003	543094150	/nfs/dbraw/zinc/09/41/50/543094150.db2.gz	CZFZQVNPQNNCOE-KRWDZBQOSA-N	1	1	372.513	2.231	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1	ZINC000103143003	543094152	/nfs/dbraw/zinc/09/41/52/543094152.db2.gz	CZFZQVNPQNNCOE-KRWDZBQOSA-N	1	1	372.513	2.231	20	30		FEEDMO
C=CCc1cc(CNC(=O)N2CC[NH+](C3CC3)CC2)cc(OC)c1OC	ZINC000105211282	543165589	/nfs/dbraw/zinc/16/55/89/543165589.db2.gz	XYKGIHNXASQKBB-UHFFFAOYSA-N	1	1	359.470	2.422	20	30		FEEDMO
Cc1noc(C)c1CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+]	ZINC000107074547	543261296	/nfs/dbraw/zinc/26/12/96/543261296.db2.gz	BZSJRGHSJGSNHH-UHFFFAOYSA-N	1	1	365.437	2.494	20	30		FEEDMO
CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1	ZINC000108609657	543297100	/nfs/dbraw/zinc/29/71/00/543297100.db2.gz	WPTLSKVBVPLJJS-UHFFFAOYSA-N	1	1	360.483	2.183	20	30		FEEDMO
C[NH+]1CCN(C(=O)CC2CCN(Cc3ccc(F)cc3C#N)CC2)CC1	ZINC000109790017	543339285	/nfs/dbraw/zinc/33/92/85/543339285.db2.gz	YLNLXGFHASCPTF-UHFFFAOYSA-N	1	1	358.461	2.073	20	30		FEEDMO
COCC[N@@H+](C)CCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1	ZINC000111852338	543420605	/nfs/dbraw/zinc/42/06/05/543420605.db2.gz	PZUCSHHGZWTBFU-UHFFFAOYSA-N	1	1	374.485	2.126	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1	ZINC000156419915	545626301	/nfs/dbraw/zinc/62/63/01/545626301.db2.gz	YCAVZBUUPXQEET-WBVHZDCISA-N	1	1	363.527	2.451	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000118117264	543646412	/nfs/dbraw/zinc/64/64/12/543646412.db2.gz	PIRIEHBISWNPDH-AWEZNQCLSA-N	1	1	362.499	2.477	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)cc1	ZINC000120801724	543685039	/nfs/dbraw/zinc/68/50/39/543685039.db2.gz	COZGXDNSUWZYNQ-SJORKVTESA-N	1	1	359.470	2.425	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]([C@@H](C)O)C2)cc1	ZINC000120801724	543685045	/nfs/dbraw/zinc/68/50/45/543685045.db2.gz	COZGXDNSUWZYNQ-SJORKVTESA-N	1	1	359.470	2.425	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000120116083	543675352	/nfs/dbraw/zinc/67/53/52/543675352.db2.gz	CWPVZGIVJMFXQH-KRWDZBQOSA-N	1	1	353.484	2.277	20	30		FEEDMO
C=CCOc1ccc(C[N@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000120116083	543675354	/nfs/dbraw/zinc/67/53/54/543675354.db2.gz	CWPVZGIVJMFXQH-KRWDZBQOSA-N	1	1	353.484	2.277	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC[N@H+]1C	ZINC000120551195	543681867	/nfs/dbraw/zinc/68/18/67/543681867.db2.gz	KKSPADLPURQOSF-NVXWUHKLSA-N	1	1	372.469	2.249	20	30		FEEDMO
Cc1[nH]nc2ncc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc12	ZINC000123125889	543744246	/nfs/dbraw/zinc/74/42/46/543744246.db2.gz	HGZIKYJCBNMMNZ-UHFFFAOYSA-N	1	1	374.448	2.486	20	30		FEEDMO
Cc1[nH]nc2ncc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc12	ZINC000123125889	543744249	/nfs/dbraw/zinc/74/42/49/543744249.db2.gz	HGZIKYJCBNMMNZ-UHFFFAOYSA-N	1	1	374.448	2.486	20	30		FEEDMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NCc1ccc(C#N)o1	ZINC000123981022	543794684	/nfs/dbraw/zinc/79/46/84/543794684.db2.gz	AYFJSLKAWSPBPA-UHFFFAOYSA-N	1	1	354.410	2.160	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1	ZINC000124866901	543847710	/nfs/dbraw/zinc/84/77/10/543847710.db2.gz	KOFNPDXQITWDRX-UXHICEINSA-N	1	1	358.530	2.243	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1Cl	ZINC000125449601	543882434	/nfs/dbraw/zinc/88/24/34/543882434.db2.gz	VKUJQYWRGALCIB-CZUORRHYSA-N	1	1	360.845	2.141	20	30		FEEDMO
C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)CCCCC#N)CC1	ZINC000125813397	543903396	/nfs/dbraw/zinc/90/33/96/543903396.db2.gz	UXISGGJFPHKFTC-OAHLLOKOSA-N	1	1	350.488	2.220	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[NH+](C2CC2)CC1	ZINC000125864181	543906210	/nfs/dbraw/zinc/90/62/10/543906210.db2.gz	YXQQLDCQMCYBJM-MRXNPFEDSA-N	1	1	356.470	2.110	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(OC(F)(F)F)c1	ZINC000127779406	544013354	/nfs/dbraw/zinc/01/33/54/544013354.db2.gz	SDKYEPPDXQNFRK-LLVKDONJSA-N	1	1	359.348	2.417	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1	ZINC000127779406	544013356	/nfs/dbraw/zinc/01/33/56/544013356.db2.gz	SDKYEPPDXQNFRK-LLVKDONJSA-N	1	1	359.348	2.417	20	30		FEEDMO
N#Cc1cccc(OCCC[NH+]2CCN(C(=O)c3cccc(O)c3)CC2)c1	ZINC000128412213	544050692	/nfs/dbraw/zinc/05/06/92/544050692.db2.gz	KZMWEGJNUAOQSN-UHFFFAOYSA-N	1	1	365.433	2.491	20	30		FEEDMO
CCOC(=O)c1ccc(C[N@@H+]2CCCN(c3ncccc3C#N)CC2)o1	ZINC000129696520	544123601	/nfs/dbraw/zinc/12/36/01/544123601.db2.gz	UVMDVURDROIBJO-UHFFFAOYSA-N	1	1	354.410	2.435	20	30		FEEDMO
CCOC(=O)c1ccc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)o1	ZINC000129696520	544123603	/nfs/dbraw/zinc/12/36/03/544123603.db2.gz	UVMDVURDROIBJO-UHFFFAOYSA-N	1	1	354.410	2.435	20	30		FEEDMO
CCC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000130494487	544153593	/nfs/dbraw/zinc/15/35/93/544153593.db2.gz	WWTDLDFOXVDZKN-CYBMUJFWSA-N	1	1	374.510	2.428	20	30		FEEDMO
N#Cc1ccc(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1Cl	ZINC000132035828	544216409	/nfs/dbraw/zinc/21/64/09/544216409.db2.gz	QAGHPEDNGONRPB-GOSISDBHSA-N	1	1	369.852	2.361	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000133297295	544263571	/nfs/dbraw/zinc/26/35/71/544263571.db2.gz	COSLMOWTHWGJAK-UHFFFAOYSA-N	1	1	359.817	2.204	20	30		FEEDMO
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000133995266	544290844	/nfs/dbraw/zinc/29/08/44/544290844.db2.gz	KDCWMYPTKYTXQS-INIZCTEOSA-N	1	1	372.469	2.108	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)s1	ZINC000136218548	544369117	/nfs/dbraw/zinc/36/91/17/544369117.db2.gz	HKPNMDWRQKIPOI-CYBMUJFWSA-N	1	1	350.488	2.066	20	30		FEEDMO
C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)C2	ZINC000151298333	544525515	/nfs/dbraw/zinc/52/55/15/544525515.db2.gz	INEOZUFCTOQNHA-DLBZAZTESA-N	1	1	354.454	2.362	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCC1CCN(S(=O)(=O)N(C)CCC#N)CC1	ZINC000152758776	544692183	/nfs/dbraw/zinc/69/21/83/544692183.db2.gz	NXRYYZCYOFKXFC-INIZCTEOSA-N	1	1	356.536	2.053	20	30		FEEDMO
COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153324199	544761212	/nfs/dbraw/zinc/76/12/12/544761212.db2.gz	USJJVCYBLLMOQO-CYBMUJFWSA-N	1	1	370.457	2.072	20	30		FEEDMO
CCCc1[nH+]ccn1CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000153548355	544789981	/nfs/dbraw/zinc/78/99/81/544789981.db2.gz	KHMNSHJLAWKULR-GOSISDBHSA-N	1	1	351.454	2.245	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(NC(=O)C4CC4)CC3)C2=O)cc1	ZINC000182657279	327783581	/nfs/dbraw/zinc/78/35/81/327783581.db2.gz	ODMAHUQJOWTRPD-LJQANCHMSA-N	1	1	366.465	2.044	20	30		FEEDMO
Cn1cc([C@H]2CSCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cn1	ZINC000191193032	328253535	/nfs/dbraw/zinc/25/35/35/328253535.db2.gz	NLGJCGOVVGRKAK-QGZVFWFLSA-N	1	1	355.467	2.410	20	30		FEEDMO
Cn1cc([C@H]2CSCC[N@H+]2CCC(=O)Nc2ccccc2C#N)cn1	ZINC000191193032	328253536	/nfs/dbraw/zinc/25/35/36/328253536.db2.gz	NLGJCGOVVGRKAK-QGZVFWFLSA-N	1	1	355.467	2.410	20	30		FEEDMO
CN(CCCN1CC[NH+](C)CC1)Cc1cc(C#N)ccc1Br	ZINC000191817783	328283669	/nfs/dbraw/zinc/28/36/69/328283669.db2.gz	OTESBHFVKTXXPA-UHFFFAOYSA-N	1	1	365.319	2.390	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)[C@H](C)C1	ZINC000193430386	328374940	/nfs/dbraw/zinc/37/49/40/328374940.db2.gz	KTQBOJXSZMRTIA-GDBMZVCRSA-N	1	1	373.501	2.242	20	30		FEEDMO
COCc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)no1	ZINC000079381757	325088510	/nfs/dbraw/zinc/08/85/10/325088510.db2.gz	ZXIBQAYOKFCVFX-UHFFFAOYSA-N	1	1	354.410	2.041	20	30		FEEDMO
COCc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)no1	ZINC000079381757	325088513	/nfs/dbraw/zinc/08/85/13/325088513.db2.gz	ZXIBQAYOKFCVFX-UHFFFAOYSA-N	1	1	354.410	2.041	20	30		FEEDMO
C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)C1	ZINC000081343159	325171328	/nfs/dbraw/zinc/17/13/28/325171328.db2.gz	UJKAQUYFUFFXPQ-IBGZPJMESA-N	1	1	351.406	2.406	20	30		FEEDMO
C[N@H+]1CCO[C@H](C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)C1	ZINC000081343159	325171331	/nfs/dbraw/zinc/17/13/31/325171331.db2.gz	UJKAQUYFUFFXPQ-IBGZPJMESA-N	1	1	351.406	2.406	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000083176557	325215141	/nfs/dbraw/zinc/21/51/41/325215141.db2.gz	KIGVSIGJBLSDQF-HZPDHXFCSA-N	1	1	374.510	2.353	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000083176557	325215143	/nfs/dbraw/zinc/21/51/43/325215143.db2.gz	KIGVSIGJBLSDQF-HZPDHXFCSA-N	1	1	374.510	2.353	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000088771282	325300785	/nfs/dbraw/zinc/30/07/85/325300785.db2.gz	FUGRKASNJJSLIM-QWHCGFSZSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC(C)CNC(=O)c1cccc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089943037	325344082	/nfs/dbraw/zinc/34/40/82/325344082.db2.gz	UNTIUFVUXNZLRE-UHFFFAOYSA-N	1	1	368.485	2.314	20	30		FEEDMO
CC(C)[C@H](NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000089943845	325344543	/nfs/dbraw/zinc/34/45/43/325344543.db2.gz	RVQKKERVQLSLDB-IBGZPJMESA-N	1	1	368.485	2.241	20	30		FEEDMO
CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000118114870	326082359	/nfs/dbraw/zinc/08/23/59/326082359.db2.gz	TZAVUSZTXYABRK-UHFFFAOYSA-N	1	1	360.458	2.132	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C(=O)NC2CC2)sc2c1CCC2	ZINC000121370310	326333344	/nfs/dbraw/zinc/33/33/44/326333344.db2.gz	VXOCQOHOLBGQHW-OAHLLOKOSA-N	1	1	372.494	2.180	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCC[NH+]1CCCCC1	ZINC000156499032	326833689	/nfs/dbraw/zinc/83/36/89/326833689.db2.gz	NIXSULSRFAQXSZ-UHFFFAOYSA-N	1	1	361.389	2.341	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)S(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000165262209	327077162	/nfs/dbraw/zinc/07/71/62/327077162.db2.gz	UGUKNFOWKIFJQT-UHFFFAOYSA-N	1	1	350.419	2.054	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1	ZINC000171620849	327148567	/nfs/dbraw/zinc/14/85/67/327148567.db2.gz	NIFVSGHNAVBJMW-INIZCTEOSA-N	1	1	364.453	2.304	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000173568366	327267437	/nfs/dbraw/zinc/26/74/37/327267437.db2.gz	ZPZGXWJQXAJXHK-QGZVFWFLSA-N	1	1	354.454	2.186	20	30		FEEDMO
C[NH+]1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1	ZINC000266340741	329212892	/nfs/dbraw/zinc/21/28/92/329212892.db2.gz	IDPXSYBLJPOOBF-UHFFFAOYSA-N	1	1	363.465	2.097	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1	ZINC000267953714	329371496	/nfs/dbraw/zinc/37/14/96/329371496.db2.gz	SBBRBHBDEQYZIP-LPHOPBHVSA-N	1	1	367.497	2.011	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1C#N	ZINC000276215891	330130044	/nfs/dbraw/zinc/13/00/44/330130044.db2.gz	WQSAVSHVLCCALW-CQSZACIVSA-N	1	1	370.453	2.051	20	30		FEEDMO
Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)cn1	ZINC000371454561	330243375	/nfs/dbraw/zinc/24/33/75/330243375.db2.gz	ADTRTRTXAIYSOX-MOPGFXCFSA-N	1	1	367.453	2.208	20	30		FEEDMO
C#CCCCS(=O)(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C	ZINC000805135377	674321960	/nfs/dbraw/zinc/32/19/60/674321960.db2.gz	RWQCVLISXLEOOU-SFHVURJKSA-N	1	1	352.500	2.409	20	30		FEEDMO
C#C[C@@H](NC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)c1ccc(Cl)cc1F	ZINC000805186373	674324878	/nfs/dbraw/zinc/32/48/78/674324878.db2.gz	GTQTVUNAUSIGHM-CXAGYDPISA-N	1	1	366.868	2.089	20	30		FEEDMO
N#CCCOCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1	ZINC000555381132	674358630	/nfs/dbraw/zinc/35/86/30/674358630.db2.gz	QWLIYOXROSMZKS-UHFFFAOYSA-N	1	1	352.276	2.497	20	30		FEEDMO
COc1ccc(OCCC[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1	ZINC000155494439	545532713	/nfs/dbraw/zinc/53/27/13/545532713.db2.gz	VWLYYSFGXPXADU-MRXNPFEDSA-N	1	1	367.453	2.336	20	30		FEEDMO
COc1ccc(OCCC[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1	ZINC000155494439	545532717	/nfs/dbraw/zinc/53/27/17/545532717.db2.gz	VWLYYSFGXPXADU-MRXNPFEDSA-N	1	1	367.453	2.336	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1	ZINC000155767535	545568164	/nfs/dbraw/zinc/56/81/64/545568164.db2.gz	ZMLZBQBNZVSOKE-MRXNPFEDSA-N	1	1	360.421	2.419	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1	ZINC000155767535	545568169	/nfs/dbraw/zinc/56/81/69/545568169.db2.gz	ZMLZBQBNZVSOKE-MRXNPFEDSA-N	1	1	360.421	2.419	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)CNc2ccc(C#N)cn2)cc1F	ZINC000497667932	538777694	/nfs/dbraw/zinc/77/76/94/538777694.db2.gz	LXDRKQJKBJCWNQ-UHFFFAOYSA-N	1	1	364.384	2.315	20	30		FEEDMO
N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)c1	ZINC000156048359	545595811	/nfs/dbraw/zinc/59/58/11/545595811.db2.gz	KTCCAXDVINBRPK-GOSISDBHSA-N	1	1	359.495	2.367	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](C)C[C@H](C)O)c1C#N	ZINC000156271362	545613127	/nfs/dbraw/zinc/61/31/27/545613127.db2.gz	GJVUACAGTPXYGY-ZDUSSCGKSA-N	1	1	358.442	2.259	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCOc1cccc(C#N)c1	ZINC000156699216	545649677	/nfs/dbraw/zinc/64/96/77/545649677.db2.gz	GWPWLALZHFLHDX-MRXNPFEDSA-N	1	1	362.437	2.200	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCOc1cccc(C#N)c1	ZINC000156699216	545649680	/nfs/dbraw/zinc/64/96/80/545649680.db2.gz	GWPWLALZHFLHDX-MRXNPFEDSA-N	1	1	362.437	2.200	20	30		FEEDMO
CCc1ccc(C[NH+]2CCN(CC(=O)N(CCC#N)CCC#N)CC2)s1	ZINC000156792005	545660147	/nfs/dbraw/zinc/66/01/47/545660147.db2.gz	KZMJSODXFLLWST-UHFFFAOYSA-N	1	1	373.526	2.084	20	30		FEEDMO
C[C@@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000477452059	561145436	/nfs/dbraw/zinc/14/54/36/561145436.db2.gz	KTHMGZOIXVUFQR-HNNXBMFYSA-N	1	1	362.499	2.220	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000159463259	545956625	/nfs/dbraw/zinc/95/66/25/545956625.db2.gz	PQBHOHFCNVYKEW-CYBMUJFWSA-N	1	1	362.861	2.244	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1C#N	ZINC000161333894	546120975	/nfs/dbraw/zinc/12/09/75/546120975.db2.gz	PGIUDVWDJKUPAL-QGZVFWFLSA-N	1	1	372.469	2.083	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1C#N	ZINC000161333894	546120978	/nfs/dbraw/zinc/12/09/78/546120978.db2.gz	PGIUDVWDJKUPAL-QGZVFWFLSA-N	1	1	372.469	2.083	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000171305593	546203229	/nfs/dbraw/zinc/20/32/29/546203229.db2.gz	IKWAVUVSUXXHMP-OTWHNJEPSA-N	1	1	363.546	2.397	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000171305593	546203233	/nfs/dbraw/zinc/20/32/33/546203233.db2.gz	IKWAVUVSUXXHMP-OTWHNJEPSA-N	1	1	363.546	2.397	20	30		FEEDMO
N#CC1(NC(=O)c2cnn3cccnc23)CC[NH+](Cc2ccccc2)CC1	ZINC000479344037	561187952	/nfs/dbraw/zinc/18/79/52/561187952.db2.gz	MWPCLIQCBIISRT-UHFFFAOYSA-N	1	1	360.421	2.017	20	30		FEEDMO
Cc1ccccc1C[NH+]1CCN(C(=O)CN(CC#N)C2CCCC2)CC1	ZINC000172570630	546258938	/nfs/dbraw/zinc/25/89/38/546258938.db2.gz	OHZKJNGCQBULGD-UHFFFAOYSA-N	1	1	354.498	2.407	20	30		FEEDMO
C#CCOc1ccc(F)cc1NC(=O)C1CC[NH+](Cc2nccn2C)CC1	ZINC000172806397	546267626	/nfs/dbraw/zinc/26/76/26/546267626.db2.gz	WKSSBYHAEUSYNX-UHFFFAOYSA-N	1	1	370.428	2.422	20	30		FEEDMO
Cc1ccc(N2CCC(NC(=O)Nc3ccn(CCC#N)n3)CC2)[nH+]c1	ZINC000173368165	546279552	/nfs/dbraw/zinc/27/95/52/546279552.db2.gz	ZWQJTLZXFQYWSA-UHFFFAOYSA-N	1	1	353.430	2.291	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccn(CCC#N)n1	ZINC000173380228	546280798	/nfs/dbraw/zinc/28/07/98/546280798.db2.gz	MMBVRGPKFMLCLS-RDJZCZTQSA-N	1	1	367.457	2.224	20	30		FEEDMO
CN1CC[NH+](CCOc2ccc(NC(=O)C3(C#N)CCCC3)cc2)CC1	ZINC000174039988	546289739	/nfs/dbraw/zinc/28/97/39/546289739.db2.gz	JENHAIZEFXLGLZ-UHFFFAOYSA-N	1	1	356.470	2.335	20	30		FEEDMO
CNC(=O)CC1CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1	ZINC000175000632	546305336	/nfs/dbraw/zinc/30/53/36/546305336.db2.gz	QTFXVUPGBHTLDV-UHFFFAOYSA-N	1	1	370.497	2.398	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)c1	ZINC000175264008	546308097	/nfs/dbraw/zinc/30/80/97/546308097.db2.gz	UZTOEAOCNBITIJ-QGZVFWFLSA-N	1	1	356.470	2.138	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000175762973	546344989	/nfs/dbraw/zinc/34/49/89/546344989.db2.gz	WDZKSKOUWPHCBJ-UHFFFAOYSA-N	1	1	361.465	2.261	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1	ZINC000175846945	546362147	/nfs/dbraw/zinc/36/21/47/546362147.db2.gz	DYBAYYPEAXGCIB-RDJZCZTQSA-N	1	1	370.478	2.285	20	30		FEEDMO
CC(C)(C)n1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nn1	ZINC000480537044	561211486	/nfs/dbraw/zinc/21/14/86/561211486.db2.gz	FAPRPOQMYYIZKM-UHFFFAOYSA-N	1	1	366.469	2.321	20	30		FEEDMO
CCCC[N@@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000481068817	561224309	/nfs/dbraw/zinc/22/43/09/561224309.db2.gz	DMTQJTWYHIDCIH-AWEZNQCLSA-N	1	1	366.487	2.226	20	30		FEEDMO
N#Cc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)C(N)=O)cc1	ZINC000481702619	561238991	/nfs/dbraw/zinc/23/89/91/561238991.db2.gz	PFOPBTSBLSLQLB-XUVXKRRUSA-N	1	1	357.417	2.416	20	30		FEEDMO
COCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000179340017	546934309	/nfs/dbraw/zinc/93/43/09/546934309.db2.gz	CXOQKUKSRUUULE-NNVNDSJASA-N	1	1	365.518	2.433	20	30		FEEDMO
COCCO[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000179340017	546934315	/nfs/dbraw/zinc/93/43/15/546934315.db2.gz	CXOQKUKSRUUULE-NNVNDSJASA-N	1	1	365.518	2.433	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1C#N	ZINC000179474310	546960734	/nfs/dbraw/zinc/96/07/34/546960734.db2.gz	SRJWFWJACUOABS-RBUKOAKNSA-N	1	1	362.433	2.367	20	30		FEEDMO
Cc1onc(CC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1C#N	ZINC000482268854	561251601	/nfs/dbraw/zinc/25/16/01/561251601.db2.gz	RBDFJFROYBZMCZ-IBGZPJMESA-N	1	1	352.438	2.424	20	30		FEEDMO
Cn1cc(CN2CCC([N@@H+](C)CCCO)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000180155681	547059923	/nfs/dbraw/zinc/05/99/23/547059923.db2.gz	INVGTDDJEJKQAN-UHFFFAOYSA-N	1	1	367.497	2.237	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)N1CC[NH+](C)CC1	ZINC000180390173	547099301	/nfs/dbraw/zinc/09/93/01/547099301.db2.gz	FNNSBKFPLFFHOO-LJQANCHMSA-N	1	1	354.498	2.244	20	30		FEEDMO
COCCCOCC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000180725647	547167440	/nfs/dbraw/zinc/16/74/40/547167440.db2.gz	MKPXRAQLEDLRRU-ZDUSSCGKSA-N	1	1	365.499	2.420	20	30		FEEDMO
COCCCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000180725647	547167445	/nfs/dbraw/zinc/16/74/45/547167445.db2.gz	MKPXRAQLEDLRRU-ZDUSSCGKSA-N	1	1	365.499	2.420	20	30		FEEDMO
C[C@H]([NH2+][C@@H](C)c1ccc(Br)cn1)C(=O)NC1(C#N)CCC1	ZINC000482993829	561264465	/nfs/dbraw/zinc/26/44/65/561264465.db2.gz	YRWRVLYHBIJFCS-QWRGUYRKSA-N	1	1	351.248	2.446	20	30		FEEDMO
N#Cc1ccc(CN2CCC([NH2+]CCCCN3CCOCC3)CC2)cc1	ZINC000181514117	547326803	/nfs/dbraw/zinc/32/68/03/547326803.db2.gz	JAIJGMMFJOTPOP-UHFFFAOYSA-N	1	1	356.514	2.225	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1	ZINC000181665556	547355626	/nfs/dbraw/zinc/35/56/26/547355626.db2.gz	OFOVXGAMPPBOHL-PMPSAXMXSA-N	1	1	372.469	2.153	20	30		FEEDMO
N#CCOc1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1	ZINC000183419015	547655278	/nfs/dbraw/zinc/65/52/78/547655278.db2.gz	SXXRKRXXNGHKMF-SFHVURJKSA-N	1	1	365.433	2.086	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)Nc2cc(C#N)ccc2OCCOC)C1	ZINC000183511280	547673729	/nfs/dbraw/zinc/67/37/29/547673729.db2.gz	JGVVUGULMFIGTB-MRXNPFEDSA-N	1	1	360.458	2.437	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1	ZINC000184598831	547852606	/nfs/dbraw/zinc/85/26/06/547852606.db2.gz	IBDIXYOWPGJFJI-INIZCTEOSA-N	1	1	360.458	2.389	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000185228156	547955102	/nfs/dbraw/zinc/95/51/02/547955102.db2.gz	AEDWOAIZRFJEDF-UHFFFAOYSA-N	1	1	372.288	2.035	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@H+]1C	ZINC000185786198	548035886	/nfs/dbraw/zinc/03/58/86/548035886.db2.gz	VRNRPQKIEZUNQR-HNNXBMFYSA-N	1	1	351.472	2.062	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000186916679	548218643	/nfs/dbraw/zinc/21/86/43/548218643.db2.gz	FBGUYGWSZPWBLX-UHFFFAOYSA-N	1	1	354.498	2.074	20	30		FEEDMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C1(c2ccc(C#N)cc2)CC1	ZINC000186916679	548218647	/nfs/dbraw/zinc/21/86/47/548218647.db2.gz	FBGUYGWSZPWBLX-UHFFFAOYSA-N	1	1	354.498	2.074	20	30		FEEDMO
COc1cc(C#N)cc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000486099040	561338196	/nfs/dbraw/zinc/33/81/96/561338196.db2.gz	WJXNWUFGTPTDLB-UHFFFAOYSA-N	1	1	365.433	2.290	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1	ZINC000187450998	548257905	/nfs/dbraw/zinc/25/79/05/548257905.db2.gz	MMWRPNSJIHZQES-UHFFFAOYSA-N	1	1	358.486	2.192	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000188661395	548283869	/nfs/dbraw/zinc/28/38/69/548283869.db2.gz	GYLLGUQRDIEEBW-HNNXBMFYSA-N	1	1	362.470	2.177	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1OC	ZINC000188709530	548285565	/nfs/dbraw/zinc/28/55/65/548285565.db2.gz	XIXJTCKAZZLUDP-OAHLLOKOSA-N	1	1	362.470	2.177	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1OC	ZINC000188709552	548286156	/nfs/dbraw/zinc/28/61/56/548286156.db2.gz	XIXJTCKAZZLUDP-HNNXBMFYSA-N	1	1	362.470	2.177	20	30		FEEDMO
COCCO[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000189707305	548308979	/nfs/dbraw/zinc/30/89/79/548308979.db2.gz	HXFZHXFFOVGSSX-SFHVURJKSA-N	1	1	359.470	2.287	20	30		FEEDMO
COCCO[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000189707305	548308985	/nfs/dbraw/zinc/30/89/85/548308985.db2.gz	HXFZHXFFOVGSSX-SFHVURJKSA-N	1	1	359.470	2.287	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC2(O)CCOCC2)cc1	ZINC000189774803	548311365	/nfs/dbraw/zinc/31/13/65/548311365.db2.gz	OTFDJYWRICKMGO-KRWDZBQOSA-N	1	1	359.470	2.104	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000486355796	561345148	/nfs/dbraw/zinc/34/51/48/561345148.db2.gz	UNXKBUKCBCDWII-DFQSSKMNSA-N	1	1	357.498	2.295	20	30		FEEDMO
COC(=O)[C@@H](CC(C)C)NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1	ZINC000194539408	548496326	/nfs/dbraw/zinc/49/63/26/548496326.db2.gz	DBPYRTSLSNSCAL-GOSISDBHSA-N	1	1	357.454	2.227	20	30		FEEDMO
COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1	ZINC000194539408	548496328	/nfs/dbraw/zinc/49/63/28/548496328.db2.gz	DBPYRTSLSNSCAL-GOSISDBHSA-N	1	1	357.454	2.227	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000487572508	561372118	/nfs/dbraw/zinc/37/21/18/561372118.db2.gz	LKDDXMMEEFTEOJ-FHLIZLRMSA-N	1	1	360.889	2.247	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1	ZINC000245500613	548934718	/nfs/dbraw/zinc/93/47/18/548934718.db2.gz	AWVKCOPUQZKCIF-LJQANCHMSA-N	1	1	370.497	2.107	20	30		FEEDMO
N#Cc1cccc(/C=C/C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1	ZINC000245586087	548952587	/nfs/dbraw/zinc/95/25/87/548952587.db2.gz	MIQAVCYYQOYODJ-XNZYIBKVSA-N	1	1	361.445	2.323	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1	ZINC000246254606	549089328	/nfs/dbraw/zinc/08/93/28/549089328.db2.gz	JVYVGELHRTWUPB-CBGDNZLLSA-N	1	1	369.465	2.074	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1	ZINC000246254606	549089334	/nfs/dbraw/zinc/08/93/34/549089334.db2.gz	JVYVGELHRTWUPB-CBGDNZLLSA-N	1	1	369.465	2.074	20	30		FEEDMO
CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N	ZINC000246288100	549096766	/nfs/dbraw/zinc/09/67/66/549096766.db2.gz	XPUFXXOOWMVHDP-ZIAGYGMSSA-N	1	1	362.499	2.191	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1	ZINC000246349773	549110954	/nfs/dbraw/zinc/11/09/54/549110954.db2.gz	JSUIYQZVRPECIZ-HZPDHXFCSA-N	1	1	362.499	2.228	20	30		FEEDMO
CC(C)[C@H](C(=O)NCCOc1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000246728761	549197758	/nfs/dbraw/zinc/19/77/58/549197758.db2.gz	MCQDARZPZYQQHC-JTDSTZFVSA-N	1	1	359.470	2.187	20	30		FEEDMO
CC(C)[C@H](C(=O)NCCOc1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000246728761	549197759	/nfs/dbraw/zinc/19/77/59/549197759.db2.gz	MCQDARZPZYQQHC-JTDSTZFVSA-N	1	1	359.470	2.187	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1cccc(F)c1	ZINC000489004812	561401497	/nfs/dbraw/zinc/40/14/97/561401497.db2.gz	WOOVCILLUIVBJR-KRWDZBQOSA-N	1	1	365.405	2.418	20	30		FEEDMO
C=CCn1cccc1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000489017535	561401768	/nfs/dbraw/zinc/40/17/68/561401768.db2.gz	FSQRNOBVHFQIEG-OALUTQOASA-N	1	1	353.466	2.287	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000248387274	549424506	/nfs/dbraw/zinc/42/45/06/549424506.db2.gz	ATFZXXZBFSYSOJ-GJZGRUSLSA-N	1	1	367.457	2.381	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(C#N)ccc2Cl)C1	ZINC000248505425	549451933	/nfs/dbraw/zinc/45/19/33/549451933.db2.gz	WNVNJCFBSOWCFC-DZGCQCFKSA-N	1	1	353.875	2.316	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC[C@H]21	ZINC000248620340	549469469	/nfs/dbraw/zinc/46/94/69/549469469.db2.gz	XVVRFHSNCOLVCE-DZGCQCFKSA-N	1	1	353.875	2.316	20	30		FEEDMO
COC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000249148436	549560247	/nfs/dbraw/zinc/56/02/47/549560247.db2.gz	XFSKWVRVFJUTDK-UXHICEINSA-N	1	1	354.450	2.487	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000249552780	549604427	/nfs/dbraw/zinc/60/44/27/549604427.db2.gz	IPHANNYXEZEVEJ-KNQAVFIVSA-N	1	1	373.541	2.368	20	30		FEEDMO
CC[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CC[C@@H](N2CC=CC2)C1	ZINC000262773680	549848567	/nfs/dbraw/zinc/84/85/67/549848567.db2.gz	INWGPZAQTZRJMV-QZTJIDSGSA-N	1	1	354.498	2.464	20	30		FEEDMO
CC[N@@H+](C)[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1	ZINC000264014064	549967873	/nfs/dbraw/zinc/96/78/73/549967873.db2.gz	GYCSASRUFGSFID-IBGZPJMESA-N	1	1	363.465	2.295	20	30		FEEDMO
C=CCNC(=O)c1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)nc1	ZINC000264848235	550002051	/nfs/dbraw/zinc/00/20/51/550002051.db2.gz	IKSGBNFOMDABSB-UHFFFAOYSA-N	1	1	366.465	2.442	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H](C)CS(=O)(=O)CC)C(C)C	ZINC000265096693	550006113	/nfs/dbraw/zinc/00/61/13/550006113.db2.gz	RTOSHSJYYJDBKA-DLBZAZTESA-N	1	1	373.563	2.150	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCN1Cc1ccccc1	ZINC000265111849	550006174	/nfs/dbraw/zinc/00/61/74/550006174.db2.gz	DWCCNMQCCJJRFQ-AABGKKOBSA-N	1	1	367.497	2.033	20	30		FEEDMO
COC1CCC([N@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000265180483	550007457	/nfs/dbraw/zinc/00/74/57/550007457.db2.gz	DTOSELRWMWQCSR-ZBCRRDGASA-N	1	1	368.437	2.401	20	30		FEEDMO
COC1CCC([N@@H+](C)CC(=O)[C@@H](C#N)c2nc3ccccc3c(=O)[nH]2)CC1	ZINC000265180483	550007459	/nfs/dbraw/zinc/00/74/59/550007459.db2.gz	DTOSELRWMWQCSR-ZBCRRDGASA-N	1	1	368.437	2.401	20	30		FEEDMO
COC(=O)C[C@@]1([NH2+]Cc2cc(C#N)ccc2Br)CCOC1	ZINC000492869013	561453177	/nfs/dbraw/zinc/45/31/77/561453177.db2.gz	DVGCMDYGMHDYCB-HNNXBMFYSA-N	1	1	353.216	2.133	20	30		FEEDMO
C#CC[C@H](NC(=O)NCCCCN1CC[NH+](CC)CC1)c1ccccc1	ZINC000270437925	550272405	/nfs/dbraw/zinc/27/24/05/550272405.db2.gz	QGKIJFODKOJNGA-FQEVSTJZSA-N	1	1	356.514	2.468	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)C1CC1	ZINC000271396283	550372077	/nfs/dbraw/zinc/37/20/77/550372077.db2.gz	KTJHBXXWSHOKEN-UHFFFAOYSA-N	1	1	369.509	2.377	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)C1CC1	ZINC000271396283	550372079	/nfs/dbraw/zinc/37/20/79/550372079.db2.gz	KTJHBXXWSHOKEN-UHFFFAOYSA-N	1	1	369.509	2.377	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)[C@@H]2C1	ZINC000272278350	550434163	/nfs/dbraw/zinc/43/41/63/550434163.db2.gz	DGFPOWHULQIBTR-IAQYHMDHSA-N	1	1	373.400	2.292	20	30		FEEDMO
CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[NH+]1CCC(C)(C#N)CC1	ZINC000272619671	550461079	/nfs/dbraw/zinc/46/10/79/550461079.db2.gz	UNSGQGCLOPDTJO-UHFFFAOYSA-N	1	1	357.454	2.432	20	30		FEEDMO
C[C@@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C1=CC[N@@H+](C)CC1	ZINC000272940595	550477686	/nfs/dbraw/zinc/47/76/86/550477686.db2.gz	LXCRMSGJMREWOQ-QGZVFWFLSA-N	1	1	367.497	2.036	20	30		FEEDMO
N#Cc1ccnc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1[N+](=O)[O-]	ZINC000273227534	550490496	/nfs/dbraw/zinc/49/04/96/550490496.db2.gz	RFRTUFOXQLKOON-KRWDZBQOSA-N	1	1	367.409	2.430	20	30		FEEDMO
C[NH+]1CCC(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000273268763	550492130	/nfs/dbraw/zinc/49/21/30/550492130.db2.gz	OFXPMUNDTVDKSH-UHFFFAOYSA-N	1	1	354.498	2.324	20	30		FEEDMO
C=CCCCCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1	ZINC000274524843	550542005	/nfs/dbraw/zinc/54/20/05/550542005.db2.gz	OEUSBHNDWNNPIF-UHFFFAOYSA-N	1	1	358.486	2.240	20	30		FEEDMO
O=C1N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1CC#Cc1ccccc1	ZINC000276526597	550579173	/nfs/dbraw/zinc/57/91/73/550579173.db2.gz	FKMCGORKFPHQMD-JOCHJYFZSA-N	1	1	359.429	2.235	20	30		FEEDMO
C[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@](=O)C1	ZINC000277439687	550670729	/nfs/dbraw/zinc/67/07/29/550670729.db2.gz	LGIOWRLXAZEXLB-MCFWBGNESA-N	1	1	365.524	2.137	20	30		FEEDMO
C[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@](=O)C1	ZINC000277439687	550670730	/nfs/dbraw/zinc/67/07/30/550670730.db2.gz	LGIOWRLXAZEXLB-MCFWBGNESA-N	1	1	365.524	2.137	20	30		FEEDMO
Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000278256785	550765890	/nfs/dbraw/zinc/76/58/90/550765890.db2.gz	VYFNPARLVLBVGE-UHFFFAOYSA-N	1	1	364.405	2.270	20	30		FEEDMO
C[C@](C#N)(NC(=O)CN1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1	ZINC000278828429	550826420	/nfs/dbraw/zinc/82/64/20/550826420.db2.gz	IDSAWYJZQRFRKL-HXUWFJFHSA-N	1	1	355.486	2.207	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000279565063	550903575	/nfs/dbraw/zinc/90/35/75/550903575.db2.gz	SFNFRDKCCNIIAA-WOJBJXKFSA-N	1	1	357.498	2.031	20	30		FEEDMO
N#CCCN(C(=O)C[NH2+][C@]1(CO)CCOc2ccccc21)c1ccccc1	ZINC000281617807	551121164	/nfs/dbraw/zinc/12/11/64/551121164.db2.gz	HFSLTYVJSACBFO-NRFANRHFSA-N	1	1	365.433	2.193	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)N1CC[NH+](C)CC1	ZINC000281658181	551127095	/nfs/dbraw/zinc/12/70/95/551127095.db2.gz	YWTURVOYXMMDML-AQNXPRMDSA-N	1	1	357.498	2.073	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1=O	ZINC000282105110	551181039	/nfs/dbraw/zinc/18/10/39/551181039.db2.gz	WLCMMAOUBRHRPQ-KRWDZBQOSA-N	1	1	361.873	2.275	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1=O	ZINC000282105110	551181041	/nfs/dbraw/zinc/18/10/41/551181041.db2.gz	WLCMMAOUBRHRPQ-KRWDZBQOSA-N	1	1	361.873	2.275	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1=O	ZINC000282105113	551181264	/nfs/dbraw/zinc/18/12/64/551181264.db2.gz	WLCMMAOUBRHRPQ-QGZVFWFLSA-N	1	1	361.873	2.275	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)C1=O	ZINC000282105113	551181268	/nfs/dbraw/zinc/18/12/68/551181268.db2.gz	WLCMMAOUBRHRPQ-QGZVFWFLSA-N	1	1	361.873	2.275	20	30		FEEDMO
COc1cc(C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)ccc1C#N	ZINC000282128900	551184177	/nfs/dbraw/zinc/18/41/77/551184177.db2.gz	BHGNARJVECJYHO-ZDUSSCGKSA-N	1	1	359.451	2.407	20	30		FEEDMO
C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000282339809	551213870	/nfs/dbraw/zinc/21/38/70/551213870.db2.gz	RLZSOIWNYMYICC-KRWDZBQOSA-N	1	1	371.485	2.499	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1	ZINC000497511796	561502568	/nfs/dbraw/zinc/50/25/68/561502568.db2.gz	YPWZQWHFUGSMPO-SFHVURJKSA-N	1	1	362.518	2.293	20	30		FEEDMO
C=CCOc1c(Br)cc(C[N@@H+](C)CCOCCO)cc1OC	ZINC000282406080	551224065	/nfs/dbraw/zinc/22/40/65/551224065.db2.gz	CWPSIHIXXLJWKK-UHFFFAOYSA-N	1	1	374.275	2.463	20	30		FEEDMO
C=CCn1c(-c2cccnc2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000282623338	551253104	/nfs/dbraw/zinc/25/31/04/551253104.db2.gz	OIEDLQDEVZEOMF-UHFFFAOYSA-N	1	1	370.501	2.321	20	30		FEEDMO
COCCCn1nccc1CN1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000282907388	551284279	/nfs/dbraw/zinc/28/42/79/551284279.db2.gz	ZLIMLKHYWXJOGM-UHFFFAOYSA-N	1	1	353.470	2.109	20	30		FEEDMO
COC(=O)[C@]1(C)C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@H]1C	ZINC000282959829	551289918	/nfs/dbraw/zinc/28/99/18/551289918.db2.gz	ZRCQMIIJUPGZHT-JXXFODFXSA-N	1	1	357.454	2.453	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O	ZINC000284827206	551644659	/nfs/dbraw/zinc/64/46/59/551644659.db2.gz	OQTNBZVSGNXJPH-QSFMABPGSA-N	1	1	357.454	2.137	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1	ZINC000285576430	551777282	/nfs/dbraw/zinc/77/72/82/551777282.db2.gz	OCIPZLCIQLUAGH-HOCLYGCPSA-N	1	1	358.360	2.077	20	30		FEEDMO
C=CCCCCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000285787631	551810739	/nfs/dbraw/zinc/81/07/39/551810739.db2.gz	LVNQPGLWARPVED-IBGZPJMESA-N	1	1	357.498	2.140	20	30		FEEDMO
N#Cc1ccc(N2CCC(C(=O)NCC[N@@H+]3CC=CCC3)CC2)c(F)c1	ZINC000285968414	551833065	/nfs/dbraw/zinc/83/30/65/551833065.db2.gz	OAMQRUWEEHWBPZ-UHFFFAOYSA-N	1	1	356.445	2.292	20	30		FEEDMO
Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NC2(C#N)CCC2)cn1	ZINC000286055420	551843605	/nfs/dbraw/zinc/84/36/05/551843605.db2.gz	FSGXVAXNGKILFC-MOPGFXCFSA-N	1	1	363.465	2.198	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1	ZINC000286728626	551919619	/nfs/dbraw/zinc/91/96/19/551919619.db2.gz	BLSHADSGAFUTFV-HIFRSBDPSA-N	1	1	374.872	2.483	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000287344740	551992223	/nfs/dbraw/zinc/99/22/23/551992223.db2.gz	LDKGYSZALMEFNQ-ZWKOTPCHSA-N	1	1	368.481	2.266	20	30		FEEDMO
CC[C@](C)(C#N)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000287367067	551995075	/nfs/dbraw/zinc/99/50/75/551995075.db2.gz	NYWSTAOEMTYFNO-PZJWPPBQSA-N	1	1	354.498	2.345	20	30		FEEDMO
C#CCC(C)(C)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000287401218	551999275	/nfs/dbraw/zinc/99/92/75/551999275.db2.gz	PLCBNVCPRWSIFY-FQEVSTJZSA-N	1	1	353.510	2.455	20	30		FEEDMO
CC(C)Oc1ccc([C@@H](CNS(=O)(=O)CC2(C#N)CC2)[NH+](C)C)cc1	ZINC000287412122	552000652	/nfs/dbraw/zinc/00/06/52/552000652.db2.gz	LLIQDCWNOWQGPS-QGZVFWFLSA-N	1	1	365.499	2.300	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1Cl	ZINC000287425020	552002383	/nfs/dbraw/zinc/00/23/83/552002383.db2.gz	PEBHDLNGFRTFJL-OAHLLOKOSA-N	1	1	374.872	2.485	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC([N@@H+](C)CCCO)CC1	ZINC000287678612	552033270	/nfs/dbraw/zinc/03/32/70/552033270.db2.gz	AKLMFBOYJOUMRM-LJQANCHMSA-N	1	1	357.498	2.109	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000287824076	552051661	/nfs/dbraw/zinc/05/16/61/552051661.db2.gz	BTRPIRZFRMRKJU-HKUYNNGSSA-N	1	1	357.498	2.438	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000288082112	552087462	/nfs/dbraw/zinc/08/74/62/552087462.db2.gz	VWHMACJIMLVUQV-SJORKVTESA-N	1	1	358.461	2.324	20	30		FEEDMO
Cc1onc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C#N	ZINC000499846594	561559664	/nfs/dbraw/zinc/55/96/64/561559664.db2.gz	JZRJZOHXBOGZPA-KDOFPFPSSA-N	1	1	352.438	2.424	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](CO)c2cccc(Cl)c2F)cc1	ZINC000499935960	561562356	/nfs/dbraw/zinc/56/23/56/561562356.db2.gz	CEMUNBTVUQGCFT-DYVFJYSZSA-N	1	1	364.804	2.414	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)[N@@H+]1CCc2ccccc2C1	ZINC000500431167	561572841	/nfs/dbraw/zinc/57/28/41/561572841.db2.gz	UABKZSXJCSKQOJ-CQSZACIVSA-N	1	1	373.453	2.422	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)[N@H+]1CCc2ccccc2C1	ZINC000500431167	561572842	/nfs/dbraw/zinc/57/28/42/561572842.db2.gz	UABKZSXJCSKQOJ-CQSZACIVSA-N	1	1	373.453	2.422	20	30		FEEDMO
CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000500457999	561573734	/nfs/dbraw/zinc/57/37/34/561573734.db2.gz	PNRKFTOJJKRGMJ-MUZJZNNISA-N	1	1	362.518	2.296	20	30		FEEDMO
CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000500457999	561573735	/nfs/dbraw/zinc/57/37/35/561573735.db2.gz	PNRKFTOJJKRGMJ-MUZJZNNISA-N	1	1	362.518	2.296	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc(OC)c1O	ZINC000289838800	552386790	/nfs/dbraw/zinc/38/67/90/552386790.db2.gz	UNCDDDIVSHMYFP-MGPUTAFESA-N	1	1	373.453	2.082	20	30		FEEDMO
Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)cc1[N+](=O)[O-]	ZINC000290038839	552417940	/nfs/dbraw/zinc/41/79/40/552417940.db2.gz	UMZLOJBMNHJTBH-ZDUSSCGKSA-N	1	1	374.422	2.294	20	30		FEEDMO
COc1ccc([C@@H](O)C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)cc1	ZINC000291666673	552648813	/nfs/dbraw/zinc/64/88/13/552648813.db2.gz	GDHOQAWFHOBSHH-NHCUHLMSSA-N	1	1	371.481	2.249	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@](CO)(c2ccccc2)C1	ZINC000291758739	552658866	/nfs/dbraw/zinc/65/88/66/552658866.db2.gz	KZLPSEWWSPTPAI-FXAWDEMLSA-N	1	1	355.482	2.354	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@](CO)(c2ccccc2)C1	ZINC000291758739	552658868	/nfs/dbraw/zinc/65/88/68/552658868.db2.gz	KZLPSEWWSPTPAI-FXAWDEMLSA-N	1	1	355.482	2.354	20	30		FEEDMO
COCC1(C#N)CCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1	ZINC000501337000	561595369	/nfs/dbraw/zinc/59/53/69/561595369.db2.gz	YJFHRCSCFASCRU-LJQANCHMSA-N	1	1	371.481	2.056	20	30		FEEDMO
COCC1(C#N)CCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1	ZINC000501337000	561595370	/nfs/dbraw/zinc/59/53/70/561595370.db2.gz	YJFHRCSCFASCRU-LJQANCHMSA-N	1	1	371.481	2.056	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(c3ncnc4c3ncn4C3CC3)CC2)cc1	ZINC000292332764	552716683	/nfs/dbraw/zinc/71/66/83/552716683.db2.gz	CSTMHJRSLOBFHC-UHFFFAOYSA-N	1	1	359.437	2.355	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@@H+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1	ZINC000292693490	552750080	/nfs/dbraw/zinc/75/00/80/552750080.db2.gz	CSGSXIUOEMWRQW-JKSUJKDBSA-N	1	1	363.483	2.084	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@H+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1	ZINC000292693490	552750081	/nfs/dbraw/zinc/75/00/81/552750081.db2.gz	CSGSXIUOEMWRQW-JKSUJKDBSA-N	1	1	363.483	2.084	20	30		FEEDMO
COCCN(C)c1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cn1	ZINC000292712266	552751825	/nfs/dbraw/zinc/75/18/25/552751825.db2.gz	DIKJILVZKZPMLX-GOSISDBHSA-N	1	1	367.453	2.084	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H](O)c1cc2ccccc2o1	ZINC000292777383	552757556	/nfs/dbraw/zinc/75/75/56/552757556.db2.gz	KFMWHVMRVZQKEO-WMLDXEAASA-N	1	1	363.421	2.339	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)c1cc2ccccc2o1	ZINC000292777383	552757558	/nfs/dbraw/zinc/75/75/58/552757558.db2.gz	KFMWHVMRVZQKEO-WMLDXEAASA-N	1	1	363.421	2.339	20	30		FEEDMO
C#CCNC(=O)CC[N@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C	ZINC000293838831	552861309	/nfs/dbraw/zinc/86/13/09/552861309.db2.gz	QKEYKCSLYFHJEC-DYVFJYSZSA-N	1	1	365.271	2.350	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C	ZINC000293838831	552861310	/nfs/dbraw/zinc/86/13/10/552861310.db2.gz	QKEYKCSLYFHJEC-DYVFJYSZSA-N	1	1	365.271	2.350	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1c(C)nc(-c2ccco2)nc1SC	ZINC000293981751	552872718	/nfs/dbraw/zinc/87/27/18/552872718.db2.gz	NAESONSOLLFMAW-UHFFFAOYSA-N	1	1	358.467	2.452	20	30		FEEDMO
C=CCc1cc(C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)cc(OC)c1OC	ZINC000294019686	552875790	/nfs/dbraw/zinc/87/57/90/552875790.db2.gz	ZFOOUBVUYNFUOR-ZWKOTPCHSA-N	1	1	374.481	2.368	20	30		FEEDMO
CSc1ccc([C@@H](CNS(=O)(=O)N(C)[C@@H](C)CC#N)[NH+](C)C)cc1	ZINC000294251317	552891300	/nfs/dbraw/zinc/89/13/00/552891300.db2.gz	UNEFVLQMZJMVTR-XJKSGUPXSA-N	1	1	370.544	2.080	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1c1ccccc1	ZINC000294289208	552894278	/nfs/dbraw/zinc/89/42/78/552894278.db2.gz	QTRPYIUFAXEOIU-HOJAQTOUSA-N	1	1	353.466	2.396	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC(=O)N[C@](C)(C#N)C1CC1	ZINC000501795507	561605614	/nfs/dbraw/zinc/60/56/14/561605614.db2.gz	YTSQTZCBDKYMCH-CBGDNZLLSA-N	1	1	354.498	2.390	20	30		FEEDMO
C=C(C)COCCNC(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1	ZINC000501810863	561605890	/nfs/dbraw/zinc/60/58/90/561605890.db2.gz	CVKRLSXOJGNLRD-OALUTQOASA-N	1	1	361.486	2.340	20	30		FEEDMO
C=C(C)COCCNC(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1	ZINC000501810863	561605891	/nfs/dbraw/zinc/60/58/91/561605891.db2.gz	CVKRLSXOJGNLRD-OALUTQOASA-N	1	1	361.486	2.340	20	30		FEEDMO
N#Cc1cnc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])c1	ZINC000294883078	552941312	/nfs/dbraw/zinc/94/13/12/552941312.db2.gz	FQZGBERPWLAYAS-QGZVFWFLSA-N	1	1	367.409	2.430	20	30		FEEDMO
C=CCOc1ccc(CC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)cc1	ZINC000295010707	552951251	/nfs/dbraw/zinc/95/12/51/552951251.db2.gz	XLKVJYKHOZSPJJ-SFHVURJKSA-N	1	1	359.514	2.184	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCCO1	ZINC000295304365	552984473	/nfs/dbraw/zinc/98/44/73/552984473.db2.gz	KDUQFBBSRRHNIS-LBPRGKRZSA-N	1	1	370.375	2.203	20	30		FEEDMO
CCn1c([C@@H]2CCCO2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000296031433	553092256	/nfs/dbraw/zinc/09/22/56/553092256.db2.gz	SURKQRFQNSNYGM-SFHVURJKSA-N	1	1	366.469	2.343	20	30		FEEDMO
C[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](CO)c1ccc(Cl)cc1	ZINC000296484789	553167765	/nfs/dbraw/zinc/16/77/65/553167765.db2.gz	YOGWRXCWSPNQLX-GOSISDBHSA-N	1	1	357.841	2.493	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](CO)c1ccc(Cl)cc1	ZINC000296484789	553167768	/nfs/dbraw/zinc/16/77/68/553167768.db2.gz	YOGWRXCWSPNQLX-GOSISDBHSA-N	1	1	357.841	2.493	20	30		FEEDMO
COC[C@]1(C)CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000296573824	553181647	/nfs/dbraw/zinc/18/16/47/553181647.db2.gz	DJFOQWWYPDBSKN-LJQANCHMSA-N	1	1	353.426	2.041	20	30		FEEDMO
COC[C@]1(C)CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000296573824	553181650	/nfs/dbraw/zinc/18/16/50/553181650.db2.gz	DJFOQWWYPDBSKN-LJQANCHMSA-N	1	1	353.426	2.041	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1	ZINC000502787264	561625461	/nfs/dbraw/zinc/62/54/61/561625461.db2.gz	HFYZHAKAQHFSNV-ROUUACIJSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1	ZINC000502787264	561625462	/nfs/dbraw/zinc/62/54/62/561625462.db2.gz	HFYZHAKAQHFSNV-ROUUACIJSA-N	1	1	367.511	2.054	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1	ZINC000296993239	553239402	/nfs/dbraw/zinc/23/94/02/553239402.db2.gz	SSLFWUOKUVPBSX-DLBZAZTESA-N	1	1	351.397	2.049	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000297111343	553254532	/nfs/dbraw/zinc/25/45/32/553254532.db2.gz	HHMKDFKCQBVGPD-MQVJKMGUSA-N	1	1	358.442	2.330	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1	ZINC000298720202	553463732	/nfs/dbraw/zinc/46/37/32/553463732.db2.gz	CYRLZOLBKAFWMX-UHFFFAOYSA-N	1	1	355.385	2.491	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccc(OC)c(OC(F)F)c1	ZINC000298720202	553463733	/nfs/dbraw/zinc/46/37/33/553463733.db2.gz	CYRLZOLBKAFWMX-UHFFFAOYSA-N	1	1	355.385	2.491	20	30		FEEDMO
COC(=O)[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1	ZINC000298788163	553473141	/nfs/dbraw/zinc/47/31/41/553473141.db2.gz	IWMHDBCDDLAEOY-AWEZNQCLSA-N	1	1	363.845	2.390	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1	ZINC000298788163	553473142	/nfs/dbraw/zinc/47/31/42/553473142.db2.gz	IWMHDBCDDLAEOY-AWEZNQCLSA-N	1	1	363.845	2.390	20	30		FEEDMO
N#Cc1nc(NCCC[NH+]2CCN(c3ncccn3)CC2)ccc1Cl	ZINC000299645905	553595346	/nfs/dbraw/zinc/59/53/46/553595346.db2.gz	NPBMVCVUJALCDN-UHFFFAOYSA-N	1	1	357.849	2.021	20	30		FEEDMO
C[N@@H+](CCCO)C1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000301405731	553649328	/nfs/dbraw/zinc/64/93/28/553649328.db2.gz	UJOWGWXFKIGJFE-UHFFFAOYSA-N	1	1	369.425	2.298	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000302239299	553713200	/nfs/dbraw/zinc/71/32/00/553713200.db2.gz	HKLYCJRVFPEGPT-CQSZACIVSA-N	1	1	368.441	2.453	20	30		FEEDMO
COc1cccc(OCC[NH+]2CCN(c3ccc(C)c(C#N)n3)CC2)c1	ZINC000302650945	553723918	/nfs/dbraw/zinc/72/39/18/553723918.db2.gz	MZMRGFLZTHENGN-UHFFFAOYSA-N	1	1	352.438	2.471	20	30		FEEDMO
CCS(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1	ZINC000328645239	553801320	/nfs/dbraw/zinc/80/13/20/553801320.db2.gz	ASPSJGUBENJCDM-HZPDHXFCSA-N	1	1	359.536	2.125	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)C1	ZINC000328728297	553813040	/nfs/dbraw/zinc/81/30/40/553813040.db2.gz	VNBOTXXGHLXMAQ-KRWDZBQOSA-N	1	1	374.533	2.298	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](C(=O)NCC[N@@H+](C)C2CCCCC2)CC(=O)N1C	ZINC000328792776	553822991	/nfs/dbraw/zinc/82/29/91/553822991.db2.gz	ALAZXGIYXLDPJL-CRAIPNDOSA-N	1	1	361.490	2.161	20	30		FEEDMO
O=C(Cn1nc(-c2ccccc2)ccc1=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000328920310	553844917	/nfs/dbraw/zinc/84/49/17/553844917.db2.gz	LSPCJLWDKLYJDD-QZTJIDSGSA-N	1	1	352.438	2.494	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@](O)(Cn2ccnn2)C1)N[C@H]1CCCc2ccccc21	ZINC000328925109	553846078	/nfs/dbraw/zinc/84/60/78/553846078.db2.gz	DRTCWSDHDYGERF-AZUAARDMSA-N	1	1	369.469	2.139	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1)N[C@H]1CCCc2ccccc21	ZINC000328925109	553846083	/nfs/dbraw/zinc/84/60/83/553846083.db2.gz	DRTCWSDHDYGERF-AZUAARDMSA-N	1	1	369.469	2.139	20	30		FEEDMO
C[N@H+]1CC[C@@H]2OCCN(C(=O)C3CCC(NC(=O)C(C)(C)C)CC3)[C@H]2C1	ZINC000328992852	553860391	/nfs/dbraw/zinc/86/03/91/553860391.db2.gz	DPVGCJOBENMSSQ-GQGLESIBSA-N	1	1	365.518	2.479	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cnn2c1[nH]c(=O)c1ccccc12	ZINC000329066447	553874447	/nfs/dbraw/zinc/87/44/47/553874447.db2.gz	LLKWGNUSKGFMOQ-ZBFHGGJFSA-N	1	1	351.410	2.107	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)C1	ZINC000329115536	553882925	/nfs/dbraw/zinc/88/29/25/553882925.db2.gz	IFVCDPBXBCMQBN-YJYMSZOUSA-N	1	1	364.490	2.378	20	30		FEEDMO
O=C(C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1)NC(=O)NC1CC1	ZINC000329126460	553885180	/nfs/dbraw/zinc/88/51/80/553885180.db2.gz	MQPTUGZGKLKPDN-BFUOFWGJSA-N	1	1	373.457	2.409	20	30		FEEDMO
O=C(C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1)NC(=O)NC1CC1	ZINC000329126460	553885183	/nfs/dbraw/zinc/88/51/83/553885183.db2.gz	MQPTUGZGKLKPDN-BFUOFWGJSA-N	1	1	373.457	2.409	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CC[C@H](C)[C@H](C)C1	ZINC000329130286	553885755	/nfs/dbraw/zinc/88/57/55/553885755.db2.gz	OHPSQCCPPIGQGE-RCCFBDPRSA-N	1	1	359.518	2.484	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)C1	ZINC000329134902	553886780	/nfs/dbraw/zinc/88/67/80/553886780.db2.gz	ZXRBCKNTCXWBRZ-LMMKCTJWSA-N	1	1	353.507	2.196	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)C1	ZINC000329134904	553886867	/nfs/dbraw/zinc/88/68/67/553886867.db2.gz	ZXRBCKNTCXWBRZ-ZHALLVOQSA-N	1	1	353.507	2.196	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCOC[C@@H]1c1c(C)nn(C)c1C	ZINC000329141127	553887903	/nfs/dbraw/zinc/88/79/03/553887903.db2.gz	KAENQPLPTQWIMK-IAGOWNOFSA-N	1	1	363.506	2.199	20	30		FEEDMO
Cc1noc([C@H](NC(=O)C[N@H+](C)[C@H]2CCSC2)C2CCOCC2)n1	ZINC000329141433	553888042	/nfs/dbraw/zinc/88/80/42/553888042.db2.gz	UHHYQQYCYVWYME-DZGCQCFKSA-N	1	1	354.476	2.240	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@@H]1CCCOCC1	ZINC000329188809	553898731	/nfs/dbraw/zinc/89/87/31/553898731.db2.gz	PLRZXQONXHLDLK-LZLYRXPVSA-N	1	1	363.506	2.218	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329201881	553900850	/nfs/dbraw/zinc/90/08/50/553900850.db2.gz	CAIMTPQTFLVNRP-DLBZAZTESA-N	1	1	365.522	2.045	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@]2(CCCOC2)C1	ZINC000329242188	553909544	/nfs/dbraw/zinc/90/95/44/553909544.db2.gz	SEYLNUMAERYWIV-MJQMVNBJSA-N	1	1	353.507	2.148	20	30		FEEDMO
C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000329246924	553909961	/nfs/dbraw/zinc/90/99/61/553909961.db2.gz	AXIPEWCOVKQQCX-UKRRQHHQSA-N	1	1	358.490	2.463	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000506402246	561698050	/nfs/dbraw/zinc/69/80/50/561698050.db2.gz	IMXRPHPKWBRCST-HNAYVOBHSA-N	1	1	362.433	2.448	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H](NC(=O)N1CC[C@H]([NH+]3CCCC3)[C@H]1C)CC2	ZINC000329322857	553925529	/nfs/dbraw/zinc/92/55/29/553925529.db2.gz	FOMMPSDPMXDJNE-OAGGEKHMSA-N	1	1	360.506	2.189	20	30		FEEDMO
C[C@H]1C[C@H](C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CC(=O)N1	ZINC000329336374	553927507	/nfs/dbraw/zinc/92/75/07/553927507.db2.gz	LSWBAFYMUNIIQD-HOCLYGCPSA-N	1	1	372.469	2.346	20	30		FEEDMO
C[NH+]1CCC(NC(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)CC1	ZINC000329406468	553940466	/nfs/dbraw/zinc/94/04/66/553940466.db2.gz	CBHIXNVDNGDQGA-UHFFFAOYSA-N	1	1	366.483	2.060	20	30		FEEDMO
Cc1nc2ccc(NC(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)cn2n1	ZINC000329419149	553943045	/nfs/dbraw/zinc/94/30/45/553943045.db2.gz	GVOPJYOVCAKCBT-INIZCTEOSA-N	1	1	360.462	2.111	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C[C@@H](C)O1	ZINC000329424841	553944551	/nfs/dbraw/zinc/94/45/51/553944551.db2.gz	GDMPWMVCPVBQLG-KYHPRHEASA-N	1	1	363.506	2.216	20	30		FEEDMO
NC(=O)c1ccc(NC(=O)CC[N@H+]2CCN3CCOC[C@@H]3C2)cc1Cl	ZINC000329434096	553946080	/nfs/dbraw/zinc/94/60/80/553946080.db2.gz	LIELNFIEMVZEIK-ZDUSSCGKSA-N	1	1	366.849	2.218	20	30		FEEDMO
C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CC[N@H+]1C	ZINC000329442651	553947797	/nfs/dbraw/zinc/94/77/97/553947797.db2.gz	AQHDYVZBRYSJOI-JYJNAYRXSA-N	1	1	371.489	2.028	20	30		FEEDMO
Cc1ccc(C(=O)C2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)cc1	ZINC000329443006	553947880	/nfs/dbraw/zinc/94/78/80/553947880.db2.gz	LIDSGVPATPXXGG-IBGZPJMESA-N	1	1	372.513	2.050	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329459385	553950860	/nfs/dbraw/zinc/95/08/60/553950860.db2.gz	RKMVYIRWTFVWFQ-NRSFXHEJSA-N	1	1	356.470	2.472	20	30		FEEDMO
CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1	ZINC000329471905	553953203	/nfs/dbraw/zinc/95/32/03/553953203.db2.gz	ZWIWSSLIOOPZNI-SQNIBIBYSA-N	1	1	364.534	2.211	20	30		FEEDMO
O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)N1CCC(c2cnc[nH]2)CC1	ZINC000329480657	553954527	/nfs/dbraw/zinc/95/45/27/553954527.db2.gz	DBBHVLDQHPKWJW-INIZCTEOSA-N	1	1	374.489	2.183	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)Cc2cnc(N(C)C)nc2)C1	ZINC000329496455	553957742	/nfs/dbraw/zinc/95/77/42/553957742.db2.gz	JAQCRNOKEMGOON-HNNXBMFYSA-N	1	1	362.522	2.399	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)C1	ZINC000329518382	553961105	/nfs/dbraw/zinc/96/11/05/553961105.db2.gz	ZJVQAGXQZMHOMK-XDNAFOTISA-N	1	1	367.534	2.273	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3ccc(-n4cccn4)cc3)[C@@H]2C1	ZINC000329590055	553972487	/nfs/dbraw/zinc/97/24/87/553972487.db2.gz	ZNRVHDUFXMRCAT-IEBWSBKVSA-N	1	1	353.470	2.355	20	30		FEEDMO
CCn1c(=O)[nH]c2cc(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)ccc2c1=O	ZINC000329715216	553994273	/nfs/dbraw/zinc/99/42/73/553994273.db2.gz	URPXVSNWXSSIIF-LBPRGKRZSA-N	1	1	356.426	2.077	20	30		FEEDMO
O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N[C@H]1CCCS(=O)(=O)C1	ZINC000329786073	554005530	/nfs/dbraw/zinc/00/55/30/554005530.db2.gz	QKAAGZGWMJRDRA-DLBZAZTESA-N	1	1	371.547	2.112	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1	ZINC000329821477	554012284	/nfs/dbraw/zinc/01/22/84/554012284.db2.gz	PUQLEDJWDYOMLX-MRXNPFEDSA-N	1	1	371.547	2.066	20	30		FEEDMO
C=C[C@](C)(O)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2	ZINC000507191214	561720671	/nfs/dbraw/zinc/72/06/71/561720671.db2.gz	XXFLMJGBWBTYGN-FPOVZHCZSA-N	1	1	372.509	2.359	20	30		FEEDMO
COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc(OC)c1OCC(N)=O	ZINC000507220988	561721845	/nfs/dbraw/zinc/72/18/45/561721845.db2.gz	CQRLBIWRCJBDQN-UHFFFAOYSA-N	1	1	369.421	2.072	20	30		FEEDMO
CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1	ZINC000329884982	554024713	/nfs/dbraw/zinc/02/47/13/554024713.db2.gz	TXOXLSVIZWDEJF-RBUKOAKNSA-N	1	1	364.534	2.150	20	30		FEEDMO
CO[C@H]1C[C@H](C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)N(C(C)=O)C1	ZINC000329904687	554028179	/nfs/dbraw/zinc/02/81/79/554028179.db2.gz	RDWRAWDKMYZZDL-VBNZEHGJSA-N	1	1	365.499	2.087	20	30		FEEDMO
CO[C@H]1C[C@H](C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)N(C(C)=O)C1	ZINC000329904687	554028181	/nfs/dbraw/zinc/02/81/81/554028181.db2.gz	RDWRAWDKMYZZDL-VBNZEHGJSA-N	1	1	365.499	2.087	20	30		FEEDMO
CO[C@H]1C[C@H](C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)N(C(C)=O)C1	ZINC000329904684	554028223	/nfs/dbraw/zinc/02/82/23/554028223.db2.gz	RDWRAWDKMYZZDL-UHOFOFEASA-N	1	1	365.499	2.087	20	30		FEEDMO
CO[C@H]1C[C@H](C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)N(C(C)=O)C1	ZINC000329904684	554028228	/nfs/dbraw/zinc/02/82/28/554028228.db2.gz	RDWRAWDKMYZZDL-UHOFOFEASA-N	1	1	365.499	2.087	20	30		FEEDMO
CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC=CCC2)cc[nH+]1	ZINC000329904514	554028500	/nfs/dbraw/zinc/02/85/00/554028500.db2.gz	JELQTJCZKHUQEI-ZNMIVQPWSA-N	1	1	362.453	2.072	20	30		FEEDMO
C[C@@H]1COCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1	ZINC000329932395	554034297	/nfs/dbraw/zinc/03/42/97/554034297.db2.gz	ISDVMCSBUITZTR-CBBWQLFWSA-N	1	1	365.453	2.089	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)C1	ZINC000329996766	554046857	/nfs/dbraw/zinc/04/68/57/554046857.db2.gz	PKWBBQXNKRQFEV-YQVWRLOYSA-N	1	1	353.507	2.148	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCc1cn2c(n1)SCC2	ZINC000330015889	554049416	/nfs/dbraw/zinc/04/94/16/554049416.db2.gz	OSXNQDKOCOELOW-UHFFFAOYSA-N	1	1	371.470	2.072	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)[C@@]12CCCO2	ZINC000330014853	554049792	/nfs/dbraw/zinc/04/97/92/554049792.db2.gz	NJEOKFMWDRRWIH-KHYOSLBOSA-N	1	1	373.457	2.254	20	30		FEEDMO
CC(=O)N[C@H](C)C1CCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1	ZINC000330017784	554050022	/nfs/dbraw/zinc/05/00/22/554050022.db2.gz	RSUFHQFPGFGEKF-GFCCVEGCSA-N	1	1	372.473	2.440	20	30		FEEDMO
Cc1ccc2ncc(C#N)c(NC[C@@]3([NH+]4CCOCC4)CCSC3)c2c1	ZINC000330125884	554069608	/nfs/dbraw/zinc/06/96/08/554069608.db2.gz	BVPTWVAJNDJXJB-FQEVSTJZSA-N	1	1	368.506	2.457	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1CC(=O)NC[C@H]1Cc2ccccc2O1	ZINC000330178215	554078866	/nfs/dbraw/zinc/07/88/66/554078866.db2.gz	DLMHMRJSLNAJPS-QFBILLFUSA-N	1	1	373.497	2.132	20	30		FEEDMO
C[C@H](CNC(=O)NC[C@H]1SCCc2ccccc21)C[NH+]1CCOCC1	ZINC000330178981	554079507	/nfs/dbraw/zinc/07/95/07/554079507.db2.gz	FBUIKURHIKKLBP-CRAIPNDOSA-N	1	1	363.527	2.489	20	30		FEEDMO
CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000330197796	554083708	/nfs/dbraw/zinc/08/37/08/554083708.db2.gz	SHAWNGRDUJBLGG-KBXCAEBGSA-N	1	1	351.491	2.233	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1C#N	ZINC000330211560	554086284	/nfs/dbraw/zinc/08/62/84/554086284.db2.gz	JHONHKQRRBCMFA-KRWDZBQOSA-N	1	1	362.499	2.337	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NCc2nc(C)c(C)s2)C[C@@H]1[NH+]1CCOCC1	ZINC000330253165	554093349	/nfs/dbraw/zinc/09/33/49/554093349.db2.gz	ITLARGQQYSKMTA-CABCVRRESA-N	1	1	352.504	2.217	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)C[C@@H]1[NH+]1CCOCC1	ZINC000330256940	554093788	/nfs/dbraw/zinc/09/37/88/554093788.db2.gz	LAWGMMDYZFTCRO-OLMMMNRUSA-N	1	1	353.507	2.147	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NC1CC(F)(F)C1	ZINC000330256863	554094143	/nfs/dbraw/zinc/09/41/43/554094143.db2.gz	QJGBCGKCZRGWLI-SWLSCSKDSA-N	1	1	355.433	2.447	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)CC[N@H+]1C	ZINC000330257978	554094616	/nfs/dbraw/zinc/09/46/16/554094616.db2.gz	RAMBWVLPFHNGLD-JFIYKMOQSA-N	1	1	353.507	2.433	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2ccc3nc(C)cn3c2)C[C@@H]1[NH+]1CCOCC1	ZINC000330269826	554096489	/nfs/dbraw/zinc/09/64/89/554096489.db2.gz	SKWIEJZMNJVBLE-RDJZCZTQSA-N	1	1	357.458	2.231	20	30		FEEDMO
C[N@@H+]1CCO[C@H](C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C1	ZINC000330286356	554099789	/nfs/dbraw/zinc/09/97/89/554099789.db2.gz	ZSZBKELMRMBFBZ-YQVWRLOYSA-N	1	1	350.434	2.187	20	30		FEEDMO
C[N@H+]1CCO[C@H](C(=O)NC[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C1	ZINC000330286356	554099790	/nfs/dbraw/zinc/09/97/90/554099790.db2.gz	ZSZBKELMRMBFBZ-YQVWRLOYSA-N	1	1	350.434	2.187	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(=O)N(C)c3ccccc3)C2)CC[N@H+]1C	ZINC000330291567	554100622	/nfs/dbraw/zinc/10/06/22/554100622.db2.gz	GNSGOBHGZDBFBB-IXDOHACOSA-N	1	1	358.486	2.368	20	30		FEEDMO
N#Cc1ncccc1S(=O)(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1	ZINC000330298759	554101645	/nfs/dbraw/zinc/10/16/45/554101645.db2.gz	HPCKZWSLYDHKIR-MRXNPFEDSA-N	1	1	362.499	2.276	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1	ZINC000330331172	554106376	/nfs/dbraw/zinc/10/63/76/554106376.db2.gz	NWYSOIMNABAVTQ-JFIYKMOQSA-N	1	1	363.506	2.408	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2c[nH]nc2[C@@H]2CCOC2)C[C@@H](C)O1	ZINC000330358632	554111233	/nfs/dbraw/zinc/11/12/33/554111233.db2.gz	VDAORZUSZFRFHN-MGPQQGTHSA-N	1	1	350.463	2.106	20	30		FEEDMO
COC(=O)[C@]1(C)C[N@@H+](CC(=O)NC(=O)Nc2cccc(C)c2C)C[C@H]1C	ZINC000330374693	554112810	/nfs/dbraw/zinc/11/28/10/554112810.db2.gz	FQFLYCDJJPNRJJ-BFUOFWGJSA-N	1	1	361.442	2.096	20	30		FEEDMO
COC(=O)c1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1Cl	ZINC000330518568	554132631	/nfs/dbraw/zinc/13/26/31/554132631.db2.gz	YHEYFOFRKXOWIJ-RYUDHWBXSA-N	1	1	369.849	2.059	20	30		FEEDMO
COC(=O)c1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1Cl	ZINC000330518568	554132634	/nfs/dbraw/zinc/13/26/34/554132634.db2.gz	YHEYFOFRKXOWIJ-RYUDHWBXSA-N	1	1	369.849	2.059	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1	ZINC000330550281	554136746	/nfs/dbraw/zinc/13/67/46/554136746.db2.gz	WXHFZCMTODBMKM-STQMWFEESA-N	1	1	371.407	2.379	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1F	ZINC000330712901	554161639	/nfs/dbraw/zinc/16/16/39/554161639.db2.gz	WNGUZVYYHRESPJ-NWDGAFQWSA-N	1	1	357.401	2.296	20	30		FEEDMO
CCOc1ccc(F)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1F	ZINC000330712901	554161642	/nfs/dbraw/zinc/16/16/42/554161642.db2.gz	WNGUZVYYHRESPJ-NWDGAFQWSA-N	1	1	357.401	2.296	20	30		FEEDMO
Cc1c(NC(=O)C[N@H+](C)[C@H]2CCSC2)cccc1NC(=O)N(C)C	ZINC000330957154	554194164	/nfs/dbraw/zinc/19/41/64/554194164.db2.gz	COSWWVYMYKFADA-ZDUSSCGKSA-N	1	1	350.488	2.478	20	30		FEEDMO
Cc1c(NC(=O)C[N@@H+](C)[C@H]2CCSC2)cccc1NC(=O)N(C)C	ZINC000330957154	554194165	/nfs/dbraw/zinc/19/41/65/554194165.db2.gz	COSWWVYMYKFADA-ZDUSSCGKSA-N	1	1	350.488	2.478	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)CC1	ZINC000330972678	554195817	/nfs/dbraw/zinc/19/58/17/554195817.db2.gz	NFQZIZQIMZGWFA-GJZGRUSLSA-N	1	1	374.451	2.342	20	30		FEEDMO
CSC[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000331169739	554224773	/nfs/dbraw/zinc/22/47/73/554224773.db2.gz	CHJUFGVWBALKKU-IJEWVQPXSA-N	1	1	353.536	2.400	20	30		FEEDMO
C[C@H]1CN(C(=O)NCCc2cccc(F)c2F)CC[N@H+]1CC(C)(C)O	ZINC000331228679	554233572	/nfs/dbraw/zinc/23/35/72/554233572.db2.gz	OLVDBKIBXQPCEL-ZDUSSCGKSA-N	1	1	355.429	2.198	20	30		FEEDMO
Cc1c(CS(C)(=O)=O)cccc1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000331228866	554233655	/nfs/dbraw/zinc/23/36/55/554233655.db2.gz	CGMAJRVAZUZTIL-CJNGLKHVSA-N	1	1	367.515	2.500	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000331308857	554245094	/nfs/dbraw/zinc/24/50/94/554245094.db2.gz	XLAWEGWGLYKBEM-NWDGAFQWSA-N	1	1	357.380	2.368	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000331435420	554264650	/nfs/dbraw/zinc/26/46/50/554264650.db2.gz	ZDJBVKBTGFBUOX-WBVHZDCISA-N	1	1	354.454	2.220	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000331435420	554264651	/nfs/dbraw/zinc/26/46/51/554264651.db2.gz	ZDJBVKBTGFBUOX-WBVHZDCISA-N	1	1	354.454	2.220	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1C#N	ZINC000509057685	561783057	/nfs/dbraw/zinc/78/30/57/561783057.db2.gz	SYRXPIMOFYECRQ-XIKOKIGWSA-N	1	1	370.428	2.356	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1C#N	ZINC000509057685	561783058	/nfs/dbraw/zinc/78/30/58/561783058.db2.gz	SYRXPIMOFYECRQ-XIKOKIGWSA-N	1	1	370.428	2.356	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000509657101	561809404	/nfs/dbraw/zinc/80/94/04/561809404.db2.gz	IJFSCRHJDIJESI-IAGOWNOFSA-N	1	1	356.470	2.264	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1C(F)(F)F	ZINC000332322170	554425089	/nfs/dbraw/zinc/42/50/89/554425089.db2.gz	ZUFBUWNETWDOTJ-HUUCEWRRSA-N	1	1	373.400	2.482	20	30		FEEDMO
C[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccc(CC#N)cc2)CC1	ZINC000332527423	554463519	/nfs/dbraw/zinc/46/35/19/554463519.db2.gz	ODPHCGXCXFXSIQ-SFHVURJKSA-N	1	1	354.498	2.271	20	30		FEEDMO
Cc1c(C#N)cccc1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1	ZINC000510132315	561826271	/nfs/dbraw/zinc/82/62/71/561826271.db2.gz	SQXCMWMJPHEELI-INIZCTEOSA-N	1	1	363.465	2.202	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCN(C(=O)Nc3nn(C)cc3C#N)CC2)cc1	ZINC000610561510	554528520	/nfs/dbraw/zinc/52/85/20/554528520.db2.gz	LTAWINKFHKNYAX-UHFFFAOYSA-N	1	1	368.441	2.040	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)N=c1[nH]n(C)cc1C#N	ZINC000610562091	554529308	/nfs/dbraw/zinc/52/93/08/554529308.db2.gz	ILVGAZQZIKGDGR-OAHLLOKOSA-N	1	1	352.442	2.420	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N=c1[nH]n(C)cc1C#N	ZINC000610562091	554529309	/nfs/dbraw/zinc/52/93/09/554529309.db2.gz	ILVGAZQZIKGDGR-OAHLLOKOSA-N	1	1	352.442	2.420	20	30		FEEDMO
CN(C(=O)N=c1[nH]n(C)cc1C#N)C1CC[NH+](Cc2ccccc2)CC1	ZINC000610561884	554529395	/nfs/dbraw/zinc/52/93/95/554529395.db2.gz	FGAVAMVOVNOYRY-UHFFFAOYSA-N	1	1	352.442	2.420	20	30		FEEDMO
N#CCC1(CS(=O)(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1	ZINC000333407289	554610104	/nfs/dbraw/zinc/61/01/04/554610104.db2.gz	JOLTVXMGBBGWQF-UHFFFAOYSA-N	1	1	365.474	2.403	20	30		FEEDMO
C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(F)(C#N)CC1	ZINC000510936414	561851526	/nfs/dbraw/zinc/85/15/26/561851526.db2.gz	PFUMOKLNCFJWML-AEFFLSMTSA-N	1	1	358.461	2.093	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O	ZINC000348573144	554689022	/nfs/dbraw/zinc/68/90/22/554689022.db2.gz	NAUSSXFCJHIFRR-ZZJWQFMZSA-N	1	1	369.465	2.305	20	30		FEEDMO
C=CCNC(=O)Cc1noc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1	ZINC000350727130	554810200	/nfs/dbraw/zinc/81/02/00/554810200.db2.gz	SESFMBSAYCVAOD-HNNXBMFYSA-N	1	1	358.417	2.433	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1	ZINC000351070585	554834645	/nfs/dbraw/zinc/83/46/45/554834645.db2.gz	LCSDYYLQYZJLQN-SJORKVTESA-N	1	1	368.437	2.183	20	30		FEEDMO
C=CCNC(=O)c1cccc(-c2noc([C@@H]3C[N@H+](C(C)C)CCO3)n2)c1	ZINC000351221411	554844774	/nfs/dbraw/zinc/84/47/74/554844774.db2.gz	NQVRVWYVPRAJOY-INIZCTEOSA-N	1	1	356.426	2.434	20	30		FEEDMO
C=CCNC(=O)c1cccc(-c2noc([C@@H]3C[N@@H+](C(C)C)CCO3)n2)c1	ZINC000351221411	554844776	/nfs/dbraw/zinc/84/47/76/554844776.db2.gz	NQVRVWYVPRAJOY-INIZCTEOSA-N	1	1	356.426	2.434	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@]4(CC[C@@H](C)C4)C3)CC2)o1	ZINC000360682891	554885267	/nfs/dbraw/zinc/88/52/67/554885267.db2.gz	WSJYFKPWUZVCGP-QRWLVFNGSA-N	1	1	371.485	2.015	20	30		FEEDMO
CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1	ZINC000362107618	554950713	/nfs/dbraw/zinc/95/07/13/554950713.db2.gz	XBZJQPRQKKONIF-KRWDZBQOSA-N	1	1	359.495	2.319	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2ccc(F)cn2)CC1	ZINC000362232795	554957188	/nfs/dbraw/zinc/95/71/88/554957188.db2.gz	CXPPVEXNXGCWFW-UHFFFAOYSA-N	1	1	359.430	2.305	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)C1(C#N)CCCCC1	ZINC000511643181	561875910	/nfs/dbraw/zinc/87/59/10/561875910.db2.gz	YVCSBZDKOPRXFZ-KGLIPLIRSA-N	1	1	361.408	2.164	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)C1(C#N)CCCCC1	ZINC000511643181	561875912	/nfs/dbraw/zinc/87/59/12/561875912.db2.gz	YVCSBZDKOPRXFZ-KGLIPLIRSA-N	1	1	361.408	2.164	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1	ZINC000511668128	561877374	/nfs/dbraw/zinc/87/73/74/561877374.db2.gz	RRDNPTDMONPJTK-HZSPNIEDSA-N	1	1	361.408	2.210	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1	ZINC000511668128	561877375	/nfs/dbraw/zinc/87/73/75/561877375.db2.gz	RRDNPTDMONPJTK-HZSPNIEDSA-N	1	1	361.408	2.210	20	30		FEEDMO
N#CCOc1ccc(/C=C/C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1	ZINC000363067622	555022906	/nfs/dbraw/zinc/02/29/06/555022906.db2.gz	NEEPUSFYPFFLEZ-AIADIJKESA-N	1	1	369.465	2.315	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@@H](O)COc2ccc(F)cc2)CC1	ZINC000363077039	555025367	/nfs/dbraw/zinc/02/53/67/555025367.db2.gz	FGPDCIJSNOTNFR-GOSISDBHSA-N	1	1	370.428	2.044	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1C	ZINC000363219852	555057192	/nfs/dbraw/zinc/05/71/92/555057192.db2.gz	WNCOQOVRPSUOMG-LJQANCHMSA-N	1	1	358.530	2.185	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000363478547	555115755	/nfs/dbraw/zinc/11/57/55/555115755.db2.gz	AVWMUSDDCDIMGQ-CQSZACIVSA-N	1	1	372.469	2.414	20	30		FEEDMO
CC(C)(C[N@@H+]1CCn2ccnc2C1)C(=O)NCc1cc(C#N)ccc1F	ZINC000364428935	555312348	/nfs/dbraw/zinc/31/23/48/555312348.db2.gz	CCBBWUHKXYDASQ-UHFFFAOYSA-N	1	1	355.417	2.052	20	30		FEEDMO
CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)NCc1cc(C#N)ccc1F	ZINC000364428935	555312349	/nfs/dbraw/zinc/31/23/49/555312349.db2.gz	CCBBWUHKXYDASQ-UHFFFAOYSA-N	1	1	355.417	2.052	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1	ZINC000365180748	555503403	/nfs/dbraw/zinc/50/34/03/555503403.db2.gz	ULKAQPXVURAYLN-QLVMHMETSA-N	1	1	364.449	2.228	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3nnc4ccccn43)CC2)c1	ZINC000365209260	555511652	/nfs/dbraw/zinc/51/16/52/555511652.db2.gz	TZCVUEIQVQUDAH-UHFFFAOYSA-N	1	1	374.448	2.097	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(O)(Cc2ccccc2F)CC1	ZINC000365866168	555687503	/nfs/dbraw/zinc/68/75/03/555687503.db2.gz	WYFBVZYBIVKXAU-MRXNPFEDSA-N	1	1	361.461	2.203	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000366339894	555815329	/nfs/dbraw/zinc/81/53/29/555815329.db2.gz	NAZKOIPYLYUWDJ-NSHDSACASA-N	1	1	360.368	2.092	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+]([C@@H]3CCCN(c4ccccc4F)C3=O)CC2)n1	ZINC000366385995	555829506	/nfs/dbraw/zinc/82/95/06/555829506.db2.gz	YBEPJJJIICNCJD-QGZVFWFLSA-N	1	1	368.416	2.121	20	30		FEEDMO
C=CCN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000367201913	556003521	/nfs/dbraw/zinc/00/35/21/556003521.db2.gz	SCZLTUMNAYRACQ-HNNXBMFYSA-N	1	1	355.398	2.221	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@]1(C#N)CCc2ccccc2C1	ZINC000367298232	556011709	/nfs/dbraw/zinc/01/17/09/556011709.db2.gz	BRHNVLQFSVRWDY-OAQYLSRUSA-N	1	1	356.514	2.027	20	30		FEEDMO
CN(CCCN(C)C(=O)[C@]1(C#N)CCc2ccccc2C1)CC[NH+](C)C	ZINC000367298232	556011712	/nfs/dbraw/zinc/01/17/12/556011712.db2.gz	BRHNVLQFSVRWDY-OAQYLSRUSA-N	1	1	356.514	2.027	20	30		FEEDMO
C=C[C@@](C)(CCOC)c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1	ZINC000514689803	561974290	/nfs/dbraw/zinc/97/42/90/561974290.db2.gz	AWHMOJSQNVQWNQ-IBGZPJMESA-N	1	1	357.458	2.364	20	30		FEEDMO
C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCN(Cc2ccncc2)CC1	ZINC000367395958	556037205	/nfs/dbraw/zinc/03/72/05/556037205.db2.gz	FEEVRHHTRGDIBG-UHFFFAOYSA-N	1	1	363.465	2.488	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCN(Cc2ccncc2)CC1	ZINC000367395958	556037208	/nfs/dbraw/zinc/03/72/08/556037208.db2.gz	FEEVRHHTRGDIBG-UHFFFAOYSA-N	1	1	363.465	2.488	20	30		FEEDMO
N#Cc1cc(Br)ccc1CN1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000367756098	556131341	/nfs/dbraw/zinc/13/13/41/556131341.db2.gz	RRJPPEYQBFMQCA-MRXNPFEDSA-N	1	1	350.260	2.227	20	30		FEEDMO
N#Cc1cc(NC(=O)[C@@H]2CCCc3[nH+]ccn32)ccc1N1CCC(O)CC1	ZINC000367975567	556185828	/nfs/dbraw/zinc/18/58/28/556185828.db2.gz	YRJYJEBKNGAMPZ-SFHVURJKSA-N	1	1	365.437	2.232	20	30		FEEDMO
CCCCCCCS(=O)(=O)N1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1	ZINC000369105881	556506656	/nfs/dbraw/zinc/50/66/56/556506656.db2.gz	BRWHBDSJFGDXSH-QZTJIDSGSA-N	1	1	359.580	2.244	20	30		FEEDMO
Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1F	ZINC000369388707	556587494	/nfs/dbraw/zinc/58/74/94/556587494.db2.gz	HLYMMSUUBNKTGY-CYBMUJFWSA-N	1	1	356.405	2.261	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)n1	ZINC000369784587	556693748	/nfs/dbraw/zinc/69/37/48/556693748.db2.gz	PEQXZTLXOZNPNZ-OAHLLOKOSA-N	1	1	358.471	2.321	20	30		FEEDMO
Cn1cc(C[C@H]2CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cn1	ZINC000370010452	556757216	/nfs/dbraw/zinc/75/72/16/556757216.db2.gz	MOJCLBPNNGHXSU-CYBMUJFWSA-N	1	1	357.845	2.448	20	30		FEEDMO
C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1N1CCN(C)CC1	ZINC000370147556	556793312	/nfs/dbraw/zinc/79/33/12/556793312.db2.gz	DNTHEZAFAVRWQC-RXVVDRJESA-N	1	1	356.514	2.285	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1N1CCN(C)CC1	ZINC000370147556	556793316	/nfs/dbraw/zinc/79/33/16/556793316.db2.gz	DNTHEZAFAVRWQC-RXVVDRJESA-N	1	1	356.514	2.285	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1	ZINC000370440347	556873847	/nfs/dbraw/zinc/87/38/47/556873847.db2.gz	ITSQQUVFBURIGJ-QZTJIDSGSA-N	1	1	353.422	2.356	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1	ZINC000370440347	556873850	/nfs/dbraw/zinc/87/38/50/556873850.db2.gz	ITSQQUVFBURIGJ-QZTJIDSGSA-N	1	1	353.422	2.356	20	30		FEEDMO
CN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000370830053	556983068	/nfs/dbraw/zinc/98/30/68/556983068.db2.gz	KUGSSCXSXNQVMH-DUIUGDAFSA-N	1	1	352.482	2.198	20	30		FEEDMO
CN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000370830053	556983070	/nfs/dbraw/zinc/98/30/70/556983070.db2.gz	KUGSSCXSXNQVMH-DUIUGDAFSA-N	1	1	352.482	2.198	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000371259023	557122976	/nfs/dbraw/zinc/12/29/76/557122976.db2.gz	FGZZZMBAIADVAZ-LJQANCHMSA-N	1	1	372.513	2.046	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000371259023	557122980	/nfs/dbraw/zinc/12/29/80/557122980.db2.gz	FGZZZMBAIADVAZ-LJQANCHMSA-N	1	1	372.513	2.046	20	30		FEEDMO
N#CCCCOc1cccc(C[NH+]2CCN(c3ccc(=O)[nH]n3)CC2)c1	ZINC000371334163	557149875	/nfs/dbraw/zinc/14/98/75/557149875.db2.gz	XPHHELBAFIODMI-UHFFFAOYSA-N	1	1	353.426	2.187	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000371350071	557156240	/nfs/dbraw/zinc/15/62/40/557156240.db2.gz	PIJTYWLDFCFOPJ-LJQANCHMSA-N	1	1	364.578	2.290	20	30		FEEDMO
CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+]C[C@H](O)COc1ccc(C#N)cc1	ZINC000517557009	562092479	/nfs/dbraw/zinc/09/24/79/562092479.db2.gz	UNDMQRYFBUVXLP-RDJZCZTQSA-N	1	1	355.442	2.138	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C4(CCC4)C3)CC2)o1	ZINC000371440564	557188058	/nfs/dbraw/zinc/18/80/58/557188058.db2.gz	RZZXFOOZWUPDTK-HNNXBMFYSA-N	1	1	371.485	2.015	20	30		FEEDMO
Cc1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)c(O[C@H]2CCOC2)c1	ZINC000517937270	562100972	/nfs/dbraw/zinc/10/09/72/562100972.db2.gz	SHEQPHHTEAVEEK-SFHVURJKSA-N	1	1	363.421	2.367	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000372004025	557353836	/nfs/dbraw/zinc/35/38/36/557353836.db2.gz	MEMVJQJVSIJJBT-MOPGFXCFSA-N	1	1	372.469	2.032	20	30		FEEDMO
CC(C)(C#N)c1ccccc1CN1CC[NH+](C2(C(N)=O)CCCC2)CC1	ZINC000372021084	557358745	/nfs/dbraw/zinc/35/87/45/557358745.db2.gz	DYJRLGQWLXVLIH-UHFFFAOYSA-N	1	1	354.498	2.403	20	30		FEEDMO
CC(C)(C#N)c1ccccc1C[NH+]1CCN(C2(C(N)=O)CCCC2)CC1	ZINC000372021084	557358748	/nfs/dbraw/zinc/35/87/48/557358748.db2.gz	DYJRLGQWLXVLIH-UHFFFAOYSA-N	1	1	354.498	2.403	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)cc1	ZINC000372048650	557366674	/nfs/dbraw/zinc/36/66/74/557366674.db2.gz	KTJLELQWYKXKEL-KRWDZBQOSA-N	1	1	374.448	2.494	20	30		FEEDMO
CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000372288416	557430647	/nfs/dbraw/zinc/43/06/47/557430647.db2.gz	KOFLMCBWDDVGHZ-JKSUJKDBSA-N	1	1	370.409	2.151	20	30		FEEDMO
CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000372288416	557430649	/nfs/dbraw/zinc/43/06/49/557430649.db2.gz	KOFLMCBWDDVGHZ-JKSUJKDBSA-N	1	1	370.409	2.151	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000372804105	557565520	/nfs/dbraw/zinc/56/55/20/557565520.db2.gz	KWOKAARLDWKJCX-JQHSSLGASA-N	1	1	357.454	2.085	20	30		FEEDMO
Cn1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3Cl)C2=O)n1	ZINC000372991759	557604930	/nfs/dbraw/zinc/60/49/30/557604930.db2.gz	HBPGVLRGZAYZCG-CQSZACIVSA-N	1	1	361.808	2.369	20	30		FEEDMO
COC(=O)c1ccc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c(C#N)n1	ZINC000520254476	562152027	/nfs/dbraw/zinc/15/20/27/562152027.db2.gz	ZALSJGDPMRDOIQ-INIZCTEOSA-N	1	1	350.422	2.103	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12	ZINC000373527974	557711579	/nfs/dbraw/zinc/71/15/79/557711579.db2.gz	QYCKKYGMJMLFDK-OAQYLSRUSA-N	1	1	360.417	2.483	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nc1N	ZINC000520610390	562160118	/nfs/dbraw/zinc/16/01/18/562160118.db2.gz	WPAIQAOFUJGQEP-UHFFFAOYSA-N	1	1	357.845	2.390	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)CN1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000373946782	557793314	/nfs/dbraw/zinc/79/33/14/557793314.db2.gz	IMCUZDNDFHIUCT-UHFFFAOYSA-N	1	1	359.518	2.230	20	30		FEEDMO
CC(C)c1nccn1[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000373950515	557794868	/nfs/dbraw/zinc/79/48/68/557794868.db2.gz	PRADYNUVYDEDGL-KRWDZBQOSA-N	1	1	356.474	2.299	20	30		FEEDMO
CC(C)c1nccn1[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000373950515	557794869	/nfs/dbraw/zinc/79/48/69/557794869.db2.gz	PRADYNUVYDEDGL-KRWDZBQOSA-N	1	1	356.474	2.299	20	30		FEEDMO
C=CCN1CC[C@H]([NH+]2CCC(Oc3cnc4ccccc4n3)CC2)C1=O	ZINC000374169824	557836185	/nfs/dbraw/zinc/83/61/85/557836185.db2.gz	FHQIPDDTVZCEPV-SFHVURJKSA-N	1	1	352.438	2.260	20	30		FEEDMO
N#C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@]12C(=O)Nc1ccccc12	ZINC000374363486	557872127	/nfs/dbraw/zinc/87/21/27/557872127.db2.gz	SLWWZDBIMPGYMO-YWZLYKJASA-N	1	1	362.389	2.483	20	30		FEEDMO
N#C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@]12C(=O)Nc1ccccc12	ZINC000374363486	557872129	/nfs/dbraw/zinc/87/21/29/557872129.db2.gz	SLWWZDBIMPGYMO-YWZLYKJASA-N	1	1	362.389	2.483	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1	ZINC000374580517	557902389	/nfs/dbraw/zinc/90/23/89/557902389.db2.gz	QUVQXIODSIEAEF-ZDUSSCGKSA-N	1	1	356.455	2.200	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C	ZINC000374592015	557903717	/nfs/dbraw/zinc/90/37/17/557903717.db2.gz	IOBDKCWCPJNADM-SJORKVTESA-N	1	1	364.515	2.062	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1	ZINC000374618680	557907395	/nfs/dbraw/zinc/90/73/95/557907395.db2.gz	MJINAAXKIHDUTG-CABCVRRESA-N	1	1	374.489	2.046	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1	ZINC000374618680	557907396	/nfs/dbraw/zinc/90/73/96/557907396.db2.gz	MJINAAXKIHDUTG-CABCVRRESA-N	1	1	374.489	2.046	20	30		FEEDMO
C[C@@H](NC(=O)N1CCCN(c2ccc(C#N)cc2)CC1)C1=CC[N@@H+](C)CC1	ZINC000374735075	557923026	/nfs/dbraw/zinc/92/30/26/557923026.db2.gz	PAWXSVKLWBVWLQ-QGZVFWFLSA-N	1	1	367.497	2.430	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1	ZINC000374755988	557926196	/nfs/dbraw/zinc/92/61/96/557926196.db2.gz	VUAWWBNSBFTDFD-OWCLPIDISA-N	1	1	358.442	2.352	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1	ZINC000374755988	557926197	/nfs/dbraw/zinc/92/61/97/557926197.db2.gz	VUAWWBNSBFTDFD-OWCLPIDISA-N	1	1	358.442	2.352	20	30		FEEDMO
N#C[C@H]1C[N@H+](CC2CCC3(CC2)OCCO3)C[C@@]12C(=O)Nc1ccccc12	ZINC000375434412	558026583	/nfs/dbraw/zinc/02/65/83/558026583.db2.gz	DQONFRDZCMVUOH-HRAATJIYSA-N	1	1	367.449	2.265	20	30		FEEDMO
Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NCCCCC#N)cn1	ZINC000375477777	558034662	/nfs/dbraw/zinc/03/46/62/558034662.db2.gz	FYDRVPMKIXNBCL-UXHICEINSA-N	1	1	365.481	2.446	20	30		FEEDMO
COc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc1C#N	ZINC000375755654	558077704	/nfs/dbraw/zinc/07/77/04/558077704.db2.gz	GZPVUPAIJUFLEZ-ZWKOTPCHSA-N	1	1	373.453	2.436	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc1C#N	ZINC000375755654	558077706	/nfs/dbraw/zinc/07/77/06/558077706.db2.gz	GZPVUPAIJUFLEZ-ZWKOTPCHSA-N	1	1	373.453	2.436	20	30		FEEDMO
C[N@@H+](C[C@H]1CC12CCN(C(=O)C(=O)Nc1ccc(C#N)cc1)CC2)C1CC1	ZINC000376210381	558141355	/nfs/dbraw/zinc/14/13/55/558141355.db2.gz	JZSLRNWDCUMGDS-MRXNPFEDSA-N	1	1	366.465	2.220	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)NCc3c[nH+]c4n3CCCC4)C2)c(F)c1	ZINC000376473517	558177878	/nfs/dbraw/zinc/17/78/78/558177878.db2.gz	HWTQXWVWGRVYSU-HNNXBMFYSA-N	1	1	367.428	2.373	20	30		FEEDMO
Cn1cc([C@@H]2[C@H](CNC(=O)NCC(C)(C)CCC#N)CCC[N@H+]2C)cn1	ZINC000376672401	558206357	/nfs/dbraw/zinc/20/63/57/558206357.db2.gz	MOGHNDKKDZVHBS-RDJZCZTQSA-N	1	1	360.506	2.432	20	30		FEEDMO
C[C@H](NCC(=O)N1CC[NH+](C)CC1)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000376842371	558228435	/nfs/dbraw/zinc/22/84/35/558228435.db2.gz	MEDJEBLGJLTVIQ-AWEZNQCLSA-N	1	1	369.494	2.106	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3cccs3)CC2)o1	ZINC000377159570	558278365	/nfs/dbraw/zinc/27/83/65/558278365.db2.gz	XXHORCQLHQMRME-UHFFFAOYSA-N	1	1	351.453	2.156	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2cccnc2C#N)cc1	ZINC000377186321	558284175	/nfs/dbraw/zinc/28/41/75/558284175.db2.gz	WYFDNKHSQUNBCB-CYBMUJFWSA-N	1	1	367.434	2.487	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1	ZINC000377194291	558285633	/nfs/dbraw/zinc/28/56/33/558285633.db2.gz	DKRHWIOEHQUXAK-IBGZPJMESA-N	1	1	372.513	2.173	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)cc1	ZINC000377226385	558293553	/nfs/dbraw/zinc/29/35/53/558293553.db2.gz	VYSLHEQDENWSIH-RTBURBONSA-N	1	1	373.497	2.382	20	30		FEEDMO
Cc1nnc([C@H]2CC23CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC3)o1	ZINC000377615371	558377857	/nfs/dbraw/zinc/37/78/57/558377857.db2.gz	OFMPFOHJWQMMFB-MRXNPFEDSA-N	1	1	351.410	2.458	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1)C1CC1	ZINC000377717485	558404256	/nfs/dbraw/zinc/40/42/56/558404256.db2.gz	HLWDZWXSMSKHFF-FNHZYXHNSA-N	1	1	361.873	2.156	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1)C1CC1	ZINC000377717485	558404259	/nfs/dbraw/zinc/40/42/59/558404259.db2.gz	HLWDZWXSMSKHFF-FNHZYXHNSA-N	1	1	361.873	2.156	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1	ZINC000377881076	558440994	/nfs/dbraw/zinc/44/09/94/558440994.db2.gz	USDBDFDFQSXYJI-RBUKOAKNSA-N	1	1	358.486	2.436	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000522890149	562205596	/nfs/dbraw/zinc/20/55/96/562205596.db2.gz	OKECFUJCTIVSFT-WBVHZDCISA-N	1	1	359.470	2.304	20	30		FEEDMO
COc1ccc(C[N@@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)cc1C#N	ZINC000378246149	558510368	/nfs/dbraw/zinc/51/03/68/558510368.db2.gz	GJEOQWWIQDZNKX-UHFFFAOYSA-N	1	1	370.497	2.085	20	30		FEEDMO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1OC	ZINC000378308918	558526318	/nfs/dbraw/zinc/52/63/18/558526318.db2.gz	HATHKRVRPJQIFG-DLBZAZTESA-N	1	1	360.454	2.243	20	30		FEEDMO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc1OC	ZINC000378308918	558526319	/nfs/dbraw/zinc/52/63/19/558526319.db2.gz	HATHKRVRPJQIFG-DLBZAZTESA-N	1	1	360.454	2.243	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)Cc2ccc(C#N)cc2)c2cccs2)CC1	ZINC000523362138	562211975	/nfs/dbraw/zinc/21/19/75/562211975.db2.gz	VWMRKRMBBUGWDL-GOSISDBHSA-N	1	1	368.506	2.267	20	30		FEEDMO
CC(=O)Nc1ccc(C[N@@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1	ZINC000378374818	558543087	/nfs/dbraw/zinc/54/30/87/558543087.db2.gz	WPDSDARZKJVIQU-KKSFZXQISA-N	1	1	360.417	2.490	20	30		FEEDMO
CC(=O)Nc1ccc(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)cc1	ZINC000378374818	558543090	/nfs/dbraw/zinc/54/30/90/558543090.db2.gz	WPDSDARZKJVIQU-KKSFZXQISA-N	1	1	360.417	2.490	20	30		FEEDMO
Cc1ccn2ncc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2n1	ZINC000378478489	558566356	/nfs/dbraw/zinc/56/63/56/558566356.db2.gz	AVCGHDNJQJXQNG-UHFFFAOYSA-N	1	1	374.448	2.326	20	30		FEEDMO
C[C@@H](CCNS(=O)(=O)c1cccnc1C#N)[N@@H+](C)Cc1ccccc1	ZINC000379691439	558602732	/nfs/dbraw/zinc/60/27/32/558602732.db2.gz	DNJIEWSDUMEYBQ-HNNXBMFYSA-N	1	1	358.467	2.142	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1C#N	ZINC000390767724	558612217	/nfs/dbraw/zinc/61/22/17/558612217.db2.gz	SIBLQYMHTBUOME-CQSZACIVSA-N	1	1	358.467	2.061	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C[C@@H]21	ZINC000408332653	558667441	/nfs/dbraw/zinc/66/74/41/558667441.db2.gz	YDNHNFFCMYFFIX-OALUTQOASA-N	1	1	351.454	2.003	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)n1cnc(C#N)n1	ZINC000409777062	558719461	/nfs/dbraw/zinc/71/94/61/558719461.db2.gz	YFZSJARLZQRMBT-LSDHHAIUSA-N	1	1	368.441	2.070	20	30		FEEDMO
C[C@@H]1CCCN1C(=O)CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000525270805	562244634	/nfs/dbraw/zinc/24/46/34/562244634.db2.gz	FIBKDQFCGBMPOA-GOSISDBHSA-N	1	1	354.498	2.467	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1	ZINC000411965494	558996246	/nfs/dbraw/zinc/99/62/46/558996246.db2.gz	ADDSAAHXHOQBNZ-MSOLQXFVSA-N	1	1	365.433	2.147	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000413311907	559097899	/nfs/dbraw/zinc/09/78/99/559097899.db2.gz	JICPUAQHFGASAZ-ICSRJNTNSA-N	1	1	358.530	2.357	20	30		FEEDMO
CC(C)N(CCC#N)C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1	ZINC000526112034	562267300	/nfs/dbraw/zinc/26/73/00/562267300.db2.gz	VKNWTQJHFBELCZ-UHFFFAOYSA-N	1	1	356.470	2.412	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC	ZINC000413592127	559118924	/nfs/dbraw/zinc/11/89/24/559118924.db2.gz	JSTPKFZRRRQXIY-YSTOQKLRSA-N	1	1	373.497	2.166	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[NH+](C(COC)COC)CC1	ZINC000414543363	559170679	/nfs/dbraw/zinc/17/06/79/559170679.db2.gz	SXFADFMPFKJYKU-MRXNPFEDSA-N	1	1	365.522	2.151	20	30		FEEDMO
C[C@]1(F)C[NH2+]CCN(C(=O)NCCSCc2ccccc2C#N)C1	ZINC000416863152	559335660	/nfs/dbraw/zinc/33/56/60/559335660.db2.gz	GSNCGMKNKQPCPJ-KRWDZBQOSA-N	1	1	350.463	2.134	20	30		FEEDMO
COc1ccc(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1OCCCC#N	ZINC000418123742	559391011	/nfs/dbraw/zinc/39/10/11/559391011.db2.gz	YPNUTKONAKRMAN-IAGOWNOFSA-N	1	1	361.486	2.265	20	30		FEEDMO
C[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C[N@H+]1CCO	ZINC000419327462	559437414	/nfs/dbraw/zinc/43/74/14/559437414.db2.gz	CZZJJRGNCIKBAD-LSDHHAIUSA-N	1	1	356.388	2.324	20	30		FEEDMO
C[C@H]1[C@@H](C)[N@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H]1C	ZINC000419382944	559440361	/nfs/dbraw/zinc/44/03/61/559440361.db2.gz	ZMSXDGOEJRPPET-QBPKDAKJSA-N	1	1	360.527	2.433	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C	ZINC000420920011	559511462	/nfs/dbraw/zinc/51/14/62/559511462.db2.gz	AMEDMBBLGJPXHN-OAGGEKHMSA-N	1	1	351.491	2.437	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C	ZINC000420920011	559511463	/nfs/dbraw/zinc/51/14/63/559511463.db2.gz	AMEDMBBLGJPXHN-OAGGEKHMSA-N	1	1	351.491	2.437	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)CC1	ZINC000420943270	559513271	/nfs/dbraw/zinc/51/32/71/559513271.db2.gz	ICZXIHTUPAUKNQ-HOTGVXAUSA-N	1	1	374.451	2.343	20	30		FEEDMO
CC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1	ZINC000420976620	559516021	/nfs/dbraw/zinc/51/60/21/559516021.db2.gz	BDBYRFTZYXZQIU-TZMCWYRMSA-N	1	1	374.510	2.284	20	30		FEEDMO
C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000421032466	559521011	/nfs/dbraw/zinc/52/10/11/559521011.db2.gz	WSYRIRPJCFPHIY-MAUKXSAKSA-N	1	1	371.481	2.474	20	30		FEEDMO
C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000421032466	559521012	/nfs/dbraw/zinc/52/10/12/559521012.db2.gz	WSYRIRPJCFPHIY-MAUKXSAKSA-N	1	1	371.481	2.474	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)NCC[N@@H+](C)[C@@H](C)CC)c(C#N)cn1CC	ZINC000421148155	559526776	/nfs/dbraw/zinc/52/67/76/559526776.db2.gz	GCNPUOMJDWNVCD-ZDUSSCGKSA-N	1	1	363.462	2.408	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCCn1cc[nH+]c1C	ZINC000421503997	559543892	/nfs/dbraw/zinc/54/38/92/559543892.db2.gz	GTNRWDNPHKHNLF-SFHVURJKSA-N	1	1	354.454	2.001	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C	ZINC000422105609	559565465	/nfs/dbraw/zinc/56/54/65/559565465.db2.gz	QEWOKKRRHVFXRO-ZDUSSCGKSA-N	1	1	369.918	2.469	20	30		FEEDMO
C=CCCn1cc(C(=O)NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)nn1	ZINC000424581824	559670138	/nfs/dbraw/zinc/67/01/38/559670138.db2.gz	HWVAMWMOANKALM-GOSISDBHSA-N	1	1	353.470	2.421	20	30		FEEDMO
C=CCCn1cc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)nn1	ZINC000424781002	559676485	/nfs/dbraw/zinc/67/64/85/559676485.db2.gz	WLOHJEXVFOYSDC-LJQANCHMSA-N	1	1	353.470	2.495	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1	ZINC000424935145	559680407	/nfs/dbraw/zinc/68/04/07/559680407.db2.gz	WVXQFQWHXBAAAM-LPHOPBHVSA-N	1	1	361.461	2.289	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000425410946	559700730	/nfs/dbraw/zinc/70/07/30/559700730.db2.gz	XSMSNGMDUKAHSO-HBFSDRIKSA-N	1	1	372.513	2.087	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NCCCN1CCCCCC1=O	ZINC000425541811	559708772	/nfs/dbraw/zinc/70/87/72/559708772.db2.gz	XHSUXPDLQOBMDF-KRWDZBQOSA-N	1	1	370.497	2.460	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NCCCN1CCCCCC1=O	ZINC000425541811	559708773	/nfs/dbraw/zinc/70/87/73/559708773.db2.gz	XHSUXPDLQOBMDF-KRWDZBQOSA-N	1	1	370.497	2.460	20	30		FEEDMO
C=CCn1cc(CNC(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000425866823	559723336	/nfs/dbraw/zinc/72/33/36/559723336.db2.gz	BXMLNZYGZGMXPZ-IBGZPJMESA-N	1	1	368.485	2.270	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1	ZINC000425886661	559724000	/nfs/dbraw/zinc/72/40/00/559724000.db2.gz	QIEJFYXGFFRODB-HNNXBMFYSA-N	1	1	356.470	2.068	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1	ZINC000428771196	559782823	/nfs/dbraw/zinc/78/28/23/559782823.db2.gz	HMESZXYBEGVBMY-UTKZUKDTSA-N	1	1	356.466	2.392	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NCCC3=CCCCC3)C2)nc1	ZINC000428801916	559783646	/nfs/dbraw/zinc/78/36/46/559783646.db2.gz	GMHYNQZHQFOMAS-SFHVURJKSA-N	1	1	354.454	2.413	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NCCC3=CCCCC3)C2)nc1	ZINC000428801916	559783647	/nfs/dbraw/zinc/78/36/47/559783647.db2.gz	GMHYNQZHQFOMAS-SFHVURJKSA-N	1	1	354.454	2.413	20	30		FEEDMO
Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000428820336	559784037	/nfs/dbraw/zinc/78/40/37/559784037.db2.gz	URXXKYNKTXUFKY-LPHOPBHVSA-N	1	1	364.449	2.420	20	30		FEEDMO
Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000428820336	559784038	/nfs/dbraw/zinc/78/40/38/559784038.db2.gz	URXXKYNKTXUFKY-LPHOPBHVSA-N	1	1	364.449	2.420	20	30		FEEDMO
C[N@H+](CCCNC(=O)C1CCC1)CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000429541582	559800643	/nfs/dbraw/zinc/80/06/43/559800643.db2.gz	OZHFVSJXOVDUQL-UHFFFAOYSA-N	1	1	362.861	2.388	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C1CCC1)CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000429541582	559800644	/nfs/dbraw/zinc/80/06/44/559800644.db2.gz	OZHFVSJXOVDUQL-UHFFFAOYSA-N	1	1	362.861	2.388	20	30		FEEDMO
N#CCCn1ncc(C(=O)NCC[NH+]2CCSCC2)c1-c1ccccc1	ZINC000429984888	559810569	/nfs/dbraw/zinc/81/05/69/559810569.db2.gz	NUUKBVXXNZLBJU-UHFFFAOYSA-N	1	1	369.494	2.242	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1	ZINC000527352750	562286231	/nfs/dbraw/zinc/28/62/31/562286231.db2.gz	LPTCGWRCVLTVRQ-UHFFFAOYSA-N	1	1	369.469	2.204	20	30		FEEDMO
N#Cc1cscc1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000432879427	559866991	/nfs/dbraw/zinc/86/69/91/559866991.db2.gz	PGDKQOXUQYBPML-UHFFFAOYSA-N	1	1	361.389	2.347	20	30		FEEDMO
N#Cc1cccnc1N1CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1	ZINC000432952797	559868655	/nfs/dbraw/zinc/86/86/55/559868655.db2.gz	ACHKKQMWHLMEIB-UHFFFAOYSA-N	1	1	371.391	2.382	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1	ZINC000434554219	559902370	/nfs/dbraw/zinc/90/23/70/559902370.db2.gz	BOPADYYQHNDNRV-KRWDZBQOSA-N	1	1	357.454	2.323	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H]1C	ZINC000434807341	559909820	/nfs/dbraw/zinc/90/98/20/559909820.db2.gz	DZIFKJAUADNXRI-GOEBONIOSA-N	1	1	373.501	2.384	20	30		FEEDMO
CCC(=O)N[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000435124812	559916734	/nfs/dbraw/zinc/91/67/34/559916734.db2.gz	AQYXZLDNTUKGAH-SFHVURJKSA-N	1	1	366.469	2.349	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C#N)c1ccsc1	ZINC000435652334	559927369	/nfs/dbraw/zinc/92/73/69/559927369.db2.gz	AZGSEFWIBLKLKI-OAHLLOKOSA-N	1	1	360.414	2.116	20	30		FEEDMO
COCC[NH+]1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1	ZINC000439102870	559988615	/nfs/dbraw/zinc/98/86/15/559988615.db2.gz	ZORMDGRDSJJLPQ-UHFFFAOYSA-N	1	1	350.344	2.292	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C2	ZINC000439485483	559995677	/nfs/dbraw/zinc/99/56/77/559995677.db2.gz	IGMNEWGURKLBDY-CWFSZBLJSA-N	1	1	361.486	2.239	20	30		FEEDMO
C=CCN(CCOC)C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1	ZINC000440028384	560003440	/nfs/dbraw/zinc/00/34/40/560003440.db2.gz	MUJMEYHRWDZKPP-UHFFFAOYSA-N	1	1	353.850	2.001	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C	ZINC000442151248	560044974	/nfs/dbraw/zinc/04/49/74/560044974.db2.gz	INXLALGEWUCRGS-GWCFXTLKSA-N	1	1	368.359	2.114	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000443087700	560070077	/nfs/dbraw/zinc/07/00/77/560070077.db2.gz	QRBPUCIPTSOKII-QGZVFWFLSA-N	1	1	359.426	2.250	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000443087700	560070078	/nfs/dbraw/zinc/07/00/78/560070078.db2.gz	QRBPUCIPTSOKII-QGZVFWFLSA-N	1	1	359.426	2.250	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[N@H+]1CCCC[C@H]1C	ZINC000443104687	560070664	/nfs/dbraw/zinc/07/06/64/560070664.db2.gz	NYSBTDHISMEYOJ-CHWSQXEVSA-N	1	1	366.443	2.008	20	30		FEEDMO
C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000443465337	560084673	/nfs/dbraw/zinc/08/46/73/560084673.db2.gz	GYVRESGCZOVYOH-LLVKDONJSA-N	1	1	372.288	2.035	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000443465337	560084675	/nfs/dbraw/zinc/08/46/75/560084675.db2.gz	GYVRESGCZOVYOH-LLVKDONJSA-N	1	1	372.288	2.035	20	30		FEEDMO
CCC[C@]1(C(=O)OCC)CCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000444777934	560120522	/nfs/dbraw/zinc/12/05/22/560120522.db2.gz	UGSUFKKEHHWQEE-FXAWDEMLSA-N	1	1	360.454	2.496	20	30		FEEDMO
C=CC[C@@H]1[N@H+](CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CCCC1(C)C	ZINC000444783580	560120746	/nfs/dbraw/zinc/12/07/46/560120746.db2.gz	LFDRPLVXCIBACS-AWEZNQCLSA-N	1	1	360.458	2.115	20	30		FEEDMO
C[C@H]1C[C@]1(C#N)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000448739082	560197247	/nfs/dbraw/zinc/19/72/47/560197247.db2.gz	SHOOGDGUORNWNR-GHTZIAJQSA-N	1	1	354.498	2.250	20	30		FEEDMO
COc1ccc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1OCCCC#N	ZINC000449536607	560232992	/nfs/dbraw/zinc/23/29/92/560232992.db2.gz	FPMNFMGFLLOCQF-CALCHBBNSA-N	1	1	361.486	2.265	20	30		FEEDMO
CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000449745991	560238819	/nfs/dbraw/zinc/23/88/19/560238819.db2.gz	PPLPZVMJPBCLPS-GOSISDBHSA-N	1	1	366.469	2.194	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3ccc(C#N)n3C)CC2)C[C@H](C)O1	ZINC000450067901	560249786	/nfs/dbraw/zinc/24/97/86/560249786.db2.gz	QQGPGAFDTNXSIN-IYBDPMFKSA-N	1	1	358.486	2.248	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)n1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000450127842	560251510	/nfs/dbraw/zinc/25/15/10/560251510.db2.gz	GFTYFPYFPNJCLI-ICSRJNTNSA-N	1	1	366.465	2.306	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)n1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000450127842	560251511	/nfs/dbraw/zinc/25/15/11/560251511.db2.gz	GFTYFPYFPNJCLI-ICSRJNTNSA-N	1	1	366.465	2.306	20	30		FEEDMO
C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000450241795	560255419	/nfs/dbraw/zinc/25/54/19/560255419.db2.gz	MTJNBDUDTDNKSZ-VNHYZAJKSA-N	1	1	374.872	2.116	20	30		FEEDMO
C[N@@H+](CCOc1cccc(CNc2nccc(C#N)n2)c1)C1CCOCC1	ZINC000450309442	560257906	/nfs/dbraw/zinc/25/79/06/560257906.db2.gz	SZBLPFUUVVEQNH-UHFFFAOYSA-N	1	1	367.453	2.450	20	30		FEEDMO
CN(CC[N@@H+]1CCOC(C)(C)C1)c1ncc(Br)cc1C#N	ZINC000450484216	560263750	/nfs/dbraw/zinc/26/37/50/560263750.db2.gz	LIQYCMZHOJEMCI-UHFFFAOYSA-N	1	1	353.264	2.263	20	30		FEEDMO
CN(CC[N@H+]1CCOC(C)(C)C1)c1ncc(Br)cc1C#N	ZINC000450484216	560263751	/nfs/dbraw/zinc/26/37/51/560263751.db2.gz	LIQYCMZHOJEMCI-UHFFFAOYSA-N	1	1	353.264	2.263	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1	ZINC000451269013	560297323	/nfs/dbraw/zinc/29/73/23/560297323.db2.gz	SJMCHFRQDJDTQC-HLAWJBBLSA-N	1	1	370.424	2.098	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1	ZINC000451269013	560297324	/nfs/dbraw/zinc/29/73/24/560297324.db2.gz	SJMCHFRQDJDTQC-HLAWJBBLSA-N	1	1	370.424	2.098	20	30		FEEDMO
COc1c(C)c[nH+]c(CN(C)CCS(=O)(=O)c2cccc(C#N)c2)c1C	ZINC000451377401	560303407	/nfs/dbraw/zinc/30/34/07/560303407.db2.gz	QPBKZWSESCXQER-UHFFFAOYSA-N	1	1	373.478	2.484	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1	ZINC000451904111	560336137	/nfs/dbraw/zinc/33/61/37/560336137.db2.gz	JNULCSXGTASVIP-ZMSDIMECSA-N	1	1	359.388	2.400	20	30		FEEDMO
COC[C@]1(CO)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000451925644	560337864	/nfs/dbraw/zinc/33/78/64/560337864.db2.gz	GHZCIPRHFGYTQI-WIYYLYMNSA-N	1	1	373.497	2.269	20	30		FEEDMO
C=CCn1c([C@@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1	ZINC000453455664	560387094	/nfs/dbraw/zinc/38/70/94/560387094.db2.gz	XQBSLVJNYYCZHC-HZPDHXFCSA-N	1	1	351.495	2.107	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000453582887	560389717	/nfs/dbraw/zinc/38/97/17/560389717.db2.gz	TVDUUEHUGYHELH-QGZVFWFLSA-N	1	1	366.421	2.352	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c1	ZINC000453675066	560395687	/nfs/dbraw/zinc/39/56/87/560395687.db2.gz	RLWACYWVLLPMMU-GOSISDBHSA-N	1	1	356.470	2.432	20	30		FEEDMO
CN(C(=O)C(=O)Nc1ccc(CC#N)cc1Cl)[C@H]1CC[N@H+](C2CC2)C1	ZINC000453715136	560399104	/nfs/dbraw/zinc/39/91/04/560399104.db2.gz	RLSUMCYBEVINJZ-AWEZNQCLSA-N	1	1	360.845	2.040	20	30		FEEDMO
CC[N@H+](CCNC(=O)C(=O)Nc1cccc(CC#N)c1)CCC(F)(F)F	ZINC000453758881	560402175	/nfs/dbraw/zinc/40/21/75/560402175.db2.gz	QYJCFRBQUJBBCE-UHFFFAOYSA-N	1	1	370.375	2.082	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1cccc(CC#N)c1)CCC(F)(F)F	ZINC000453758881	560402176	/nfs/dbraw/zinc/40/21/76/560402176.db2.gz	QYJCFRBQUJBBCE-UHFFFAOYSA-N	1	1	370.375	2.082	20	30		FEEDMO
CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1	ZINC000454049933	560424908	/nfs/dbraw/zinc/42/49/08/560424908.db2.gz	XEQPFTGGCFCVMJ-HNNXBMFYSA-N	1	1	372.469	2.227	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000454700570	560455062	/nfs/dbraw/zinc/45/50/62/560455062.db2.gz	VXGOYYIEWQQVLW-YSTOQKLRSA-N	1	1	373.497	2.309	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000454700570	560455063	/nfs/dbraw/zinc/45/50/63/560455063.db2.gz	VXGOYYIEWQQVLW-YSTOQKLRSA-N	1	1	373.497	2.309	20	30		FEEDMO
CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000455711827	560492580	/nfs/dbraw/zinc/49/25/80/560492580.db2.gz	ZHTJROUYLBOGIV-CQSZACIVSA-N	1	1	350.850	2.326	20	30		FEEDMO
C[C@H]1CN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC[N@H+]1CC(C)(C)O	ZINC000456030248	560504979	/nfs/dbraw/zinc/50/49/79/560504979.db2.gz	RHHYTXIBAVUXTG-INIZCTEOSA-N	1	1	357.498	2.431	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)Cc1ccc(C#N)cc1	ZINC000456058618	560505656	/nfs/dbraw/zinc/50/56/56/560505656.db2.gz	XDPZSRZQERTIDA-UHFFFAOYSA-N	1	1	358.530	2.469	20	30		FEEDMO
CN(CCCN(C)C(=O)C(C)(C)Cc1ccc(C#N)cc1)CC[NH+](C)C	ZINC000456058618	560505657	/nfs/dbraw/zinc/50/56/57/560505657.db2.gz	XDPZSRZQERTIDA-UHFFFAOYSA-N	1	1	358.530	2.469	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1(C)C	ZINC000456069638	560505948	/nfs/dbraw/zinc/50/59/48/560505948.db2.gz	PNJVKZKALPUXCM-UHFFFAOYSA-N	1	1	356.514	2.269	20	30		FEEDMO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1	ZINC000459251813	560676064	/nfs/dbraw/zinc/67/60/64/560676064.db2.gz	GMSJHCZPFCDWCS-IBGZPJMESA-N	1	1	371.529	2.363	20	30		FEEDMO
CN(CCOCc1ccc(C#N)cc1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1	ZINC000459328724	560680161	/nfs/dbraw/zinc/68/01/61/560680161.db2.gz	YKKYGMZFGDDMBA-SFHVURJKSA-N	1	1	358.486	2.448	20	30		FEEDMO
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[NH2+][C@H]1CCC[C@H]1C#N	ZINC000459455449	560687486	/nfs/dbraw/zinc/68/74/86/560687486.db2.gz	FJRHXPKGDWCXMJ-ICSRJNTNSA-N	1	1	365.481	2.446	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000459909219	560718732	/nfs/dbraw/zinc/71/87/32/560718732.db2.gz	PHVLRKTYVPCREA-UHFFFAOYSA-N	1	1	355.482	2.146	20	30		FEEDMO
CCCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)cn1	ZINC000461936909	560788717	/nfs/dbraw/zinc/78/87/17/560788717.db2.gz	ORVLTWJMETVJTR-QZTJIDSGSA-N	1	1	358.490	2.203	20	30		FEEDMO
CCCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)cn1	ZINC000461936909	560788719	/nfs/dbraw/zinc/78/87/19/560788719.db2.gz	ORVLTWJMETVJTR-QZTJIDSGSA-N	1	1	358.490	2.203	20	30		FEEDMO
N#C[C@@H]1CCC[C@@H]1NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000461953956	560789513	/nfs/dbraw/zinc/78/95/13/560789513.db2.gz	CLBBNQIBTOUBMC-OALUTQOASA-N	1	1	371.485	2.008	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC[N@H+]1C	ZINC000466040754	560879065	/nfs/dbraw/zinc/87/90/65/560879065.db2.gz	VFURQYKZUALQMQ-ZBFHGGJFSA-N	1	1	359.449	2.012	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000466761543	560894895	/nfs/dbraw/zinc/89/48/95/560894895.db2.gz	DFTFNROLNIUTIJ-RDTXWAMCSA-N	1	1	371.460	2.012	20	30		FEEDMO
C[C@@H](CO)[N@H+]1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000470412174	560981043	/nfs/dbraw/zinc/98/10/43/560981043.db2.gz	TYNZFBIEQWPKOA-LBPRGKRZSA-N	1	1	370.375	2.497	20	30		FEEDMO
CCN(CCC[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C)CC(F)(F)F	ZINC000475037334	561088378	/nfs/dbraw/zinc/08/83/78/561088378.db2.gz	CTIOOIDSOZXLFB-AWEZNQCLSA-N	1	1	370.423	2.133	20	30		FEEDMO
C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](CCOC)C1	ZINC000475269216	561093779	/nfs/dbraw/zinc/09/37/79/561093779.db2.gz	KULWOFOQUSSIQC-QGZVFWFLSA-N	1	1	373.497	2.314	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1	ZINC000528027699	562311790	/nfs/dbraw/zinc/31/17/90/562311790.db2.gz	UEQPHQMYUJRJHB-LNLFQRSKSA-N	1	1	359.470	2.160	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1	ZINC000528027699	562311791	/nfs/dbraw/zinc/31/17/91/562311791.db2.gz	UEQPHQMYUJRJHB-LNLFQRSKSA-N	1	1	359.470	2.160	20	30		FEEDMO
N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1	ZINC000528490084	562332047	/nfs/dbraw/zinc/33/20/47/562332047.db2.gz	PPNNAGRRZVZVIB-ZWKOTPCHSA-N	1	1	363.889	2.188	20	30		FEEDMO
C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528523032	562333855	/nfs/dbraw/zinc/33/38/55/562333855.db2.gz	XJWQRWHMFJMCRH-HOCLYGCPSA-N	1	1	371.403	2.114	20	30		FEEDMO
CC1CC(C#N)(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)C1	ZINC000531558818	562449781	/nfs/dbraw/zinc/44/97/81/562449781.db2.gz	KRPOPFAWZSWAIZ-MOMVYJMYSA-N	1	1	354.498	2.421	20	30		FEEDMO
CC1CC(C#N)(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1	ZINC000531558818	562449782	/nfs/dbraw/zinc/44/97/82/562449782.db2.gz	KRPOPFAWZSWAIZ-MOMVYJMYSA-N	1	1	354.498	2.421	20	30		FEEDMO
CC1CC(C#N)(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1	ZINC000531558818	562449783	/nfs/dbraw/zinc/44/97/83/562449783.db2.gz	KRPOPFAWZSWAIZ-MOMVYJMYSA-N	1	1	354.498	2.421	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C	ZINC000533272137	562503610	/nfs/dbraw/zinc/50/36/10/562503610.db2.gz	KVRPMQNQILDGMM-RBSFLKMASA-N	1	1	374.510	2.463	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C	ZINC000533272137	562503611	/nfs/dbraw/zinc/50/36/11/562503611.db2.gz	KVRPMQNQILDGMM-RBSFLKMASA-N	1	1	374.510	2.463	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1	ZINC000535552103	562560980	/nfs/dbraw/zinc/56/09/80/562560980.db2.gz	RNQCNQKDKMIHJO-QZTJIDSGSA-N	1	1	359.495	2.161	20	30		FEEDMO
N#Cc1cccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1	ZINC000536432772	562575244	/nfs/dbraw/zinc/57/52/44/562575244.db2.gz	VFGFLAUAZDDEJX-NHCUHLMSSA-N	1	1	363.461	2.100	20	30		FEEDMO
CN(C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[C@H]1CCC[C@@H]1C#N	ZINC000602065182	567923677	/nfs/dbraw/zinc/92/36/77/567923677.db2.gz	CCRCPUHXCNUQLS-WBMJQRKESA-N	1	1	362.861	2.491	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CCN1Cc1ccccc1	ZINC000602099263	567926669	/nfs/dbraw/zinc/92/66/69/567926669.db2.gz	ZAGPJKRHQHAKFV-WOJBJXKFSA-N	1	1	352.482	2.240	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1	ZINC000602894451	568013828	/nfs/dbraw/zinc/01/38/28/568013828.db2.gz	CCSFITHFTZSJIE-FQEVSTJZSA-N	1	1	353.470	2.489	20	30		FEEDMO
CO[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@](C)(CO)C1	ZINC000602964068	568023680	/nfs/dbraw/zinc/02/36/80/568023680.db2.gz	MJZBLYYRKWFEPV-AZUAARDMSA-N	1	1	359.470	2.022	20	30		FEEDMO
CO[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@](C)(CO)C1	ZINC000602964068	568023682	/nfs/dbraw/zinc/02/36/82/568023682.db2.gz	MJZBLYYRKWFEPV-AZUAARDMSA-N	1	1	359.470	2.022	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000603147431	568064415	/nfs/dbraw/zinc/06/44/15/568064415.db2.gz	XIIKMXOYHOFPLE-UAGQMJEPSA-N	1	1	371.403	2.165	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1	ZINC000568593329	568074431	/nfs/dbraw/zinc/07/44/31/568074431.db2.gz	FIPPDQVCWFZMCD-MOPGFXCFSA-N	1	1	353.466	2.456	20	30		FEEDMO
CC[C@@H]1C[N@H+](CCNc2c(C#N)cnc3c(F)c(F)c(F)cc32)CCO1	ZINC000569394359	568400462	/nfs/dbraw/zinc/40/04/62/568400462.db2.gz	SKBIBOXPFPJKDQ-GFCCVEGCSA-N	1	1	364.371	2.468	20	30		FEEDMO
CC[C@@H]1C[N@@H+](CCNc2c(C#N)cnc3c(F)c(F)c(F)cc32)CCO1	ZINC000569394359	568400463	/nfs/dbraw/zinc/40/04/63/568400463.db2.gz	SKBIBOXPFPJKDQ-GFCCVEGCSA-N	1	1	364.371	2.468	20	30		FEEDMO
COC(=O)c1cccc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c1C#N	ZINC000569907366	568435739	/nfs/dbraw/zinc/43/57/39/568435739.db2.gz	IVUZLNZJHMEHEJ-MOPGFXCFSA-N	1	1	363.417	2.046	20	30		FEEDMO
Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](CCC#N)CC1CC1	ZINC000737524671	598851785	/nfs/dbraw/zinc/85/17/85/598851785.db2.gz	PPYVEAABNWFJNF-UHFFFAOYSA-N	1	1	363.429	2.017	20	30		FEEDMO
Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+](CCC#N)CC1CC1	ZINC000737524671	598851786	/nfs/dbraw/zinc/85/17/86/598851786.db2.gz	PPYVEAABNWFJNF-UHFFFAOYSA-N	1	1	363.429	2.017	20	30		FEEDMO
CCOCCC[N@H+]1CCC(=NNCc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1	ZINC000821377818	607254083	/nfs/dbraw/zinc/25/40/83/607254083.db2.gz	FDTJIRWDWJGWRM-OAHLLOKOSA-N	1	1	371.489	2.081	20	30		FEEDMO
C#Cc1cncc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c1	ZINC000807411097	674414919	/nfs/dbraw/zinc/41/49/19/674414919.db2.gz	FZPFIXDYCPCPCG-LJQANCHMSA-N	1	1	351.475	2.410	20	30		FEEDMO
C#Cc1cncc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c1	ZINC000807411097	674414922	/nfs/dbraw/zinc/41/49/22/674414922.db2.gz	FZPFIXDYCPCPCG-LJQANCHMSA-N	1	1	351.475	2.410	20	30		FEEDMO
C=CC[N@H+](CCC(=O)N1CCC[C@H]1C)Cc1cccc(-c2nn[nH]n2)c1	ZINC000819744136	599566582	/nfs/dbraw/zinc/56/65/82/599566582.db2.gz	XLRUTMNDNHSUTI-OAHLLOKOSA-N	1	1	354.458	2.256	20	30		FEEDMO
N#Cc1ccc(C[N@H+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1	ZINC000822825724	606890158	/nfs/dbraw/zinc/89/01/58/606890158.db2.gz	MVSFZJXEHSEKDO-IBGZPJMESA-N	1	1	360.421	2.436	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F	ZINC000810573471	674551025	/nfs/dbraw/zinc/55/10/25/674551025.db2.gz	RDMSRXXMCRHBCE-RYUDHWBXSA-N	1	1	364.364	2.083	20	30		FEEDMO
N#Cc1ccccc1N1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1	ZINC000826387480	608515373	/nfs/dbraw/zinc/51/53/73/608515373.db2.gz	XCGMAGNGXPZLSQ-UHFFFAOYSA-N	1	1	351.439	2.122	20	30		FEEDMO
CC(=NNc1cc[nH+]cc1)c1cnn(-c2ccc(-c3nn[nH]n3)cc2)c1C	ZINC000823962118	609521149	/nfs/dbraw/zinc/52/11/49/609521149.db2.gz	FRAUZLKFDZKIHU-UHFFFAOYSA-N	1	1	359.397	2.014	20	30		FEEDMO
C=CCC(F)(F)C(=O)OCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000815310570	674940501	/nfs/dbraw/zinc/94/05/01/674940501.db2.gz	BWVHSFQRWFASPM-UHFFFAOYSA-N	1	1	352.381	2.085	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O	ZINC001047557059	674960174	/nfs/dbraw/zinc/96/01/74/674960174.db2.gz	CWQWTIJEBDHEBQ-VJANTYMQSA-N	1	1	350.503	2.051	20	30		FEEDMO
Cc1nsc(N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1C#N	ZINC001047569290	674960766	/nfs/dbraw/zinc/96/07/66/674960766.db2.gz	WTILSUORQIRKTC-LXTVHRRPSA-N	1	1	361.515	2.360	20	30		FEEDMO
Cc1nsc(NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CC[N@@H+](C)C2)c1C#N	ZINC001048176748	675006291	/nfs/dbraw/zinc/00/62/91/675006291.db2.gz	PMDFRQLCCUOTME-SNPRPXQTSA-N	1	1	361.515	2.314	20	30		FEEDMO
CC1(C)CC[N@H+](CC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	ZINC000570176922	670673870	/nfs/dbraw/zinc/67/38/70/670673870.db2.gz	WKKUBBCEQPDXLA-UHFFFAOYSA-N	1	1	357.845	3.068	20	30		FEEDMO
CC1(C)CC[N@@H+](CC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	ZINC000570176922	670673874	/nfs/dbraw/zinc/67/38/74/670673874.db2.gz	WKKUBBCEQPDXLA-UHFFFAOYSA-N	1	1	357.845	3.068	20	30		FEEDMO
CCCC(N)=[NH+]OCC(=O)Nc1cccc(I)c1	ZINC000105605233	670804194	/nfs/dbraw/zinc/80/41/94/670804194.db2.gz	GGUQDFLFJIEILH-UHFFFAOYSA-N	1	1	361.183	2.319	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)nn1	ZINC000565770222	675149963	/nfs/dbraw/zinc/14/99/63/675149963.db2.gz	KVZDRVYDTMEINF-CXAGYDPISA-N	1	1	350.850	2.346	20	30		FEEDMO
C=CC[C@@H](C)NC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000117035125	670911150	/nfs/dbraw/zinc/91/11/50/670911150.db2.gz	GZQPYDJYBURTQL-OAHLLOKOSA-N	1	1	354.495	2.193	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1	ZINC000817716602	675164578	/nfs/dbraw/zinc/16/45/78/675164578.db2.gz	OWBZQUWQVKNCRG-CVEARBPZSA-N	1	1	350.459	2.321	20	30		FEEDMO
N#Cc1ccc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)nc1	ZINC000576759501	671392693	/nfs/dbraw/zinc/39/26/93/671392693.db2.gz	SXHFOCDZQUADNO-QGZVFWFLSA-N	1	1	352.463	2.301	20	30		FEEDMO
N#Cc1ccc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)nc1	ZINC000576759501	671392696	/nfs/dbraw/zinc/39/26/96/671392696.db2.gz	SXHFOCDZQUADNO-QGZVFWFLSA-N	1	1	352.463	2.301	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C1	ZINC000577277773	671584528	/nfs/dbraw/zinc/58/45/28/671584528.db2.gz	YOPJZTCRCDBYAV-IBGZPJMESA-N	1	1	361.511	2.246	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1C(F)(F)F	ZINC000611106938	676017956	/nfs/dbraw/zinc/01/79/56/676017956.db2.gz	DCBHHPQQJKZZEK-LLVKDONJSA-N	1	1	359.373	2.092	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1C(F)(F)F	ZINC000611106938	676017957	/nfs/dbraw/zinc/01/79/57/676017957.db2.gz	DCBHHPQQJKZZEK-LLVKDONJSA-N	1	1	359.373	2.092	20	30		FEEDMO
N#CCCN1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1	ZINC000611176030	676022939	/nfs/dbraw/zinc/02/29/39/676022939.db2.gz	RVJLJHIDIRPXSB-CQSZACIVSA-N	1	1	358.269	2.264	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000589921090	672547502	/nfs/dbraw/zinc/54/75/02/672547502.db2.gz	RHVJPTIDVOJTHV-UHFFFAOYSA-N	1	1	350.850	2.340	20	30		FEEDMO
C[N@@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccc(C#N)s2)C1	ZINC000592088350	672752436	/nfs/dbraw/zinc/75/24/36/672752436.db2.gz	HJTDSPLKCFLKHH-ZBFHGGJFSA-N	1	1	361.492	2.243	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](CCO)c2ccccc2F)c1	ZINC000592160587	672765767	/nfs/dbraw/zinc/76/57/67/672765767.db2.gz	MKQVHXGGOMNMOL-SFHVURJKSA-N	1	1	362.426	2.184	20	30		FEEDMO
Cn1ccnc1[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)C(C)(C)CO	ZINC000592432137	672801720	/nfs/dbraw/zinc/80/17/20/672801720.db2.gz	FLCFCJZGQLLKKJ-AWEZNQCLSA-N	1	1	361.471	2.031	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC[N@H+]1C	ZINC000592796335	672839620	/nfs/dbraw/zinc/83/96/20/672839620.db2.gz	YQTLEEGWUWUEMW-ZTFGCOKTSA-N	1	1	360.889	2.389	20	30		FEEDMO
C=CC[N@@H+](C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000249515021	672871956	/nfs/dbraw/zinc/87/19/56/672871956.db2.gz	QCNDGZTZDYAJOO-YJBOKZPZSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CC[N@H+](C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1	ZINC000249515021	672871961	/nfs/dbraw/zinc/87/19/61/672871961.db2.gz	QCNDGZTZDYAJOO-YJBOKZPZSA-N	1	1	372.531	2.309	20	30		FEEDMO
CC[NH+]=C(NCc1cn[nH]c1C)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000261949345	672906076	/nfs/dbraw/zinc/90/60/76/672906076.db2.gz	GVFGLWTZNWJCQT-AWEZNQCLSA-N	1	1	361.881	2.101	20	30		FEEDMO
C[NH+]=C(NC[C@@H]1CCCO1)NCC1(N2CCSCC2)CCCCC1	ZINC000263162701	672929024	/nfs/dbraw/zinc/92/90/24/672929024.db2.gz	YVWDFFKCTCCQBC-INIZCTEOSA-N	1	1	354.564	2.082	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)CC[N@H+]1C	ZINC000593486374	672929859	/nfs/dbraw/zinc/92/98/59/672929859.db2.gz	URJLVUHKFNXBQZ-NHYWBVRUSA-N	1	1	350.260	2.462	20	30		FEEDMO
Cc1cn2nc(NC3CC[NH+](Cc4cccc(C#N)c4)CC3)sc2n1	ZINC000593515622	672931924	/nfs/dbraw/zinc/93/19/24/672931924.db2.gz	ORRRCZZAGPZAMP-UHFFFAOYSA-N	1	1	352.467	3.047	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	ZINC000594071761	673028510	/nfs/dbraw/zinc/02/85/10/673028510.db2.gz	QYXUMMSLMBZLST-SOUVJXGZSA-N	1	1	360.483	2.364	20	30		FEEDMO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1	ZINC000594325724	673058673	/nfs/dbraw/zinc/05/86/73/673058673.db2.gz	ITEHOFJXXVESPS-ZBFHGGJFSA-N	1	1	360.845	2.283	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(Cc2cscn2)CC1	ZINC000328800856	673066836	/nfs/dbraw/zinc/06/68/36/673066836.db2.gz	ITLMCXPDGYKILE-CVEARBPZSA-N	1	1	365.547	2.295	20	30		FEEDMO
CCN(CC)C(=O)N1CCC(C(=O)NCC[NH+]2CCSCC2)CC1	ZINC000329312298	673075255	/nfs/dbraw/zinc/07/52/55/673075255.db2.gz	ALRAICVEMNIIDM-UHFFFAOYSA-N	1	1	356.536	2.166	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCCN(C(=O)OCC(C)C)CC1	ZINC000725802180	673091448	/nfs/dbraw/zinc/09/14/48/673091448.db2.gz	MSNCDWXMOFORTE-KRWDZBQOSA-N	1	1	351.491	2.376	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCN(C(=O)OCC(C)C)CC1	ZINC000725802180	673091453	/nfs/dbraw/zinc/09/14/53/673091453.db2.gz	MSNCDWXMOFORTE-KRWDZBQOSA-N	1	1	351.491	2.376	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1CCN(C(=O)OCC(C)C)CC1	ZINC000729812032	673249353	/nfs/dbraw/zinc/24/93/53/673249353.db2.gz	JTBRPWIRLQQDII-QGZVFWFLSA-N	1	1	350.459	2.132	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](Cn2ccnn2)C1	ZINC000595608823	673273254	/nfs/dbraw/zinc/27/32/54/673273254.db2.gz	XAMKAGZACPDVQI-QWHCGFSZSA-N	1	1	358.833	2.152	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](Cn2ccnn2)C1	ZINC000595608824	673273523	/nfs/dbraw/zinc/27/35/23/673273523.db2.gz	XAMKAGZACPDVQI-STQMWFEESA-N	1	1	358.833	2.152	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1	ZINC000595628910	673275935	/nfs/dbraw/zinc/27/59/35/673275935.db2.gz	LFYJKPWPPPWGRP-MCIONIFRSA-N	1	1	364.408	2.473	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1	ZINC000595628910	673275936	/nfs/dbraw/zinc/27/59/36/673275936.db2.gz	LFYJKPWPPPWGRP-MCIONIFRSA-N	1	1	364.408	2.473	20	30		FEEDMO
CC(C)NC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595850692	673330355	/nfs/dbraw/zinc/33/03/55/673330355.db2.gz	NLJQILPGWWRGOB-AWEZNQCLSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC(C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595850692	673330357	/nfs/dbraw/zinc/33/03/57/673330357.db2.gz	NLJQILPGWWRGOB-AWEZNQCLSA-N	1	1	362.861	2.387	20	30		FEEDMO
N#Cc1sccc1N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1	ZINC000596151316	673363293	/nfs/dbraw/zinc/36/32/93/673363293.db2.gz	HHKWQYCRZNAXBG-LSDHHAIUSA-N	1	1	359.499	2.078	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1	ZINC000536348179	673368280	/nfs/dbraw/zinc/36/82/80/673368280.db2.gz	HHIYFSYDFDFHBS-MSOLQXFVSA-N	1	1	359.495	2.161	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000732809862	673384124	/nfs/dbraw/zinc/38/41/24/673384124.db2.gz	HKKMVGDJPWRIKQ-NSHDSACASA-N	1	1	374.388	2.043	20	30		FEEDMO
CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1	ZINC000598596482	673587554	/nfs/dbraw/zinc/58/75/54/673587554.db2.gz	SCMJUTNAJRSKNU-ZIAGYGMSSA-N	1	1	363.424	2.410	20	30		FEEDMO
C[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C(N)=O)c1cccc(Br)c1	ZINC000598601963	673588248	/nfs/dbraw/zinc/58/82/48/673588248.db2.gz	YBYPDOLWDULAQF-KGLIPLIRSA-N	1	1	368.275	2.208	20	30		FEEDMO
C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C(N)=O)c1cccc(Br)c1	ZINC000598601963	673588251	/nfs/dbraw/zinc/58/82/51/673588251.db2.gz	YBYPDOLWDULAQF-KGLIPLIRSA-N	1	1	368.275	2.208	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1cccc(Cl)c1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599259749	673649790	/nfs/dbraw/zinc/64/97/90/673649790.db2.gz	VNGLKOJEPPJKPJ-MRXNPFEDSA-N	1	1	365.861	2.282	20	30		FEEDMO
C[N@H+](CC(=O)Nc1cccc(Cl)c1)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599259749	673649794	/nfs/dbraw/zinc/64/97/94/673649794.db2.gz	VNGLKOJEPPJKPJ-MRXNPFEDSA-N	1	1	365.861	2.282	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@H](CC(F)(F)F)O1	ZINC000599479176	673681055	/nfs/dbraw/zinc/68/10/55/673681055.db2.gz	WNKRFUPMVYGNQJ-MCIONIFRSA-N	1	1	350.381	2.099	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@H](CC(F)(F)F)O1	ZINC000599479176	673681056	/nfs/dbraw/zinc/68/10/56/673681056.db2.gz	WNKRFUPMVYGNQJ-MCIONIFRSA-N	1	1	350.381	2.099	20	30		FEEDMO
C[N@H+]1CC[C@H](Cn2nnnc2Sc2ncc(C#N)c3ccsc32)C1	ZINC000601130830	673827723	/nfs/dbraw/zinc/82/77/23/673827723.db2.gz	PEJNPZFGNSKBPX-JTQLQIEISA-N	1	1	357.468	2.257	20	30		FEEDMO
CC(F)(F)CCS(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000601293641	673838732	/nfs/dbraw/zinc/83/87/32/673838732.db2.gz	AXKZICPZCNFPFX-UHFFFAOYSA-N	1	1	371.453	2.441	20	30		FEEDMO
CC(F)(F)CCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000601293641	673838737	/nfs/dbraw/zinc/83/87/37/673838737.db2.gz	AXKZICPZCNFPFX-UHFFFAOYSA-N	1	1	371.453	2.441	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21	ZINC000601374144	673850913	/nfs/dbraw/zinc/85/09/13/673850913.db2.gz	BHCMFXGYJGRTSO-XJKSGUPXSA-N	1	1	351.447	2.111	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2CC#N)[C@H]1c1ccccc1	ZINC000601378606	673851885	/nfs/dbraw/zinc/85/18/85/673851885.db2.gz	CWGNYRBNTYOODS-IEBWSBKVSA-N	1	1	355.463	2.476	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2CC#N)[C@H]1c1ccccc1	ZINC000601378606	673851886	/nfs/dbraw/zinc/85/18/86/673851886.db2.gz	CWGNYRBNTYOODS-IEBWSBKVSA-N	1	1	355.463	2.476	20	30		FEEDMO
CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000601445502	673863613	/nfs/dbraw/zinc/86/36/13/673863613.db2.gz	DEPQOHWSJCUTCG-CQSZACIVSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2sc(N3CCCC3)nc2Cl)CC1	ZINC000746873452	673895821	/nfs/dbraw/zinc/89/58/21/673895821.db2.gz	ZYIMHEQEKMJQCJ-UHFFFAOYSA-N	1	1	353.879	2.114	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@@H](n2cc(C[NH+]3CCCCC3)nn2)C1=O	ZINC000603192440	673918920	/nfs/dbraw/zinc/91/89/20/673918920.db2.gz	JBWXOJYAWFWBMU-OAHLLOKOSA-N	1	1	356.455	2.175	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC	ZINC000818602914	675227841	/nfs/dbraw/zinc/22/78/41/675227841.db2.gz	JMSRAYYDAVVHBZ-CVEARBPZSA-N	1	1	351.491	2.093	20	30		FEEDMO
C[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CC[N@H+](C2CCC2)C1	ZINC000567210081	675275677	/nfs/dbraw/zinc/27/56/77/675275677.db2.gz	SFQSFWPFDIGZEO-INIZCTEOSA-N	1	1	361.511	2.138	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(c2[nH]cc[nH+]2)CC1	ZINC000568166919	675355355	/nfs/dbraw/zinc/35/53/55/675355355.db2.gz	WZRVBBLOGSNNOI-HNNXBMFYSA-N	1	1	359.499	2.197	20	30		FEEDMO
C#C[C@H](NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)c1ccc(Cl)cc1F	ZINC000820755116	675385456	/nfs/dbraw/zinc/38/54/56/675385456.db2.gz	GXMZWLGMGYLIBZ-DCGLDWPTSA-N	1	1	367.852	2.250	20	30		FEEDMO
C#CCN(CC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)C(=O)OC(C)(C)C	ZINC000821986750	675462392	/nfs/dbraw/zinc/46/23/92/675462392.db2.gz	WXTXGGMJODVLJJ-HOTGVXAUSA-N	1	1	351.491	2.236	20	30		FEEDMO
C#CCN(CC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)C(=O)OC(C)(C)C	ZINC000828490357	675823436	/nfs/dbraw/zinc/82/34/36/675823436.db2.gz	CSWCXPZBZZEAFV-JKSUJKDBSA-N	1	1	351.491	2.188	20	30		FEEDMO
C[N@@H+](CCCOc1cccc(C#N)c1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000763410271	680782468	/nfs/dbraw/zinc/78/24/68/680782468.db2.gz	JOIPEMHZDGJTEP-HNNXBMFYSA-N	1	1	355.360	2.422	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@](O)(C(F)F)C2)cc1	ZINC000831170672	679939921	/nfs/dbraw/zinc/93/99/21/679939921.db2.gz	WOLFZAPRRUOZSF-KBXCAEBGSA-N	1	1	351.397	2.332	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@](O)(C(F)F)C2)cc1	ZINC000831170672	679939925	/nfs/dbraw/zinc/93/99/25/679939925.db2.gz	WOLFZAPRRUOZSF-KBXCAEBGSA-N	1	1	351.397	2.332	20	30		FEEDMO
C[C@@H](C=NNC(=S)NCCC[NH+]1CCOCC1)CCc1ccccc1	ZINC000749156820	680024486	/nfs/dbraw/zinc/02/44/86/680024486.db2.gz	PNKQBHIYUKBRGZ-QGZVFWFLSA-N	1	1	362.543	2.428	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC2CCOCC2)C1	ZINC001014466502	680037064	/nfs/dbraw/zinc/03/70/64/680037064.db2.gz	CMTQFNASNSLDSK-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@@]3(NC(=O)[C@]45C[C@H]4COC5)CCC[C@H]23)s1	ZINC000990821195	680074847	/nfs/dbraw/zinc/07/48/47/680074847.db2.gz	XXXKKGVKIOGNGJ-FDARSICLSA-N	1	1	357.479	2.269	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@]3(NC(=O)[C@]45C[C@H]4COC5)CCC[C@@H]23)s1	ZINC000990821207	680075295	/nfs/dbraw/zinc/07/52/95/680075295.db2.gz	XXXKKGVKIOGNGJ-KRDRHDLTSA-N	1	1	357.479	2.269	20	30		FEEDMO
C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@H]12	ZINC000991383716	680080154	/nfs/dbraw/zinc/08/01/54/680080154.db2.gz	IYHIUPLWKUXEAU-KNCOVGOOSA-N	1	1	362.392	2.022	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C3CC3)s2)C1	ZINC001019500366	680095096	/nfs/dbraw/zinc/09/50/96/680095096.db2.gz	SNYGUDQRJVTEHX-DZKIICNBSA-N	1	1	362.499	2.087	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCc1ccns1)CC2	ZINC000992242442	680098051	/nfs/dbraw/zinc/09/80/51/680098051.db2.gz	RNKDLLUSTGWVLL-VUHPKUFZSA-N	1	1	361.511	2.390	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H]2CC(C)(C)CO2)CC1	ZINC000981190079	680219705	/nfs/dbraw/zinc/21/97/05/680219705.db2.gz	ORLDBCMWRJYNPG-KSZLIROESA-N	1	1	350.503	2.317	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C	ZINC000752084836	680222600	/nfs/dbraw/zinc/22/26/00/680222600.db2.gz	XUVBLHOHWRBEBY-HOTGVXAUSA-N	1	1	351.491	2.422	20	30		FEEDMO
FC(F)Oc1cc2c(cc1C=NNC1=[NH+][C@@H]3CCCC[C@@H]3N1)OCO2	ZINC000753927483	680325028	/nfs/dbraw/zinc/32/50/28/680325028.db2.gz	CEPHSPKWLYHHMY-PHIMTYICSA-N	1	1	352.341	2.211	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cccc(S(N)(=O)=O)c2C#N)C1	ZINC000754978588	680391502	/nfs/dbraw/zinc/39/15/02/680391502.db2.gz	WVNPUTZBQIDJCC-GASCZTMLSA-N	1	1	364.515	2.376	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2csnn2)C1	ZINC000984905292	680394886	/nfs/dbraw/zinc/39/48/86/680394886.db2.gz	KBURSDVAAGYWBS-BWJWTDLKSA-N	1	1	364.515	2.455	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2csc(Cl)n2)C1	ZINC001000243688	680424850	/nfs/dbraw/zinc/42/48/50/680424850.db2.gz	DQXNPHNNRMNXGD-BNOWGMLFSA-N	1	1	355.891	2.468	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1	ZINC001033960775	680429425	/nfs/dbraw/zinc/42/94/25/680429425.db2.gz	INOHZINFVHPXQC-QRVBRYPASA-N	1	1	350.503	2.317	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NCC2=CCN(Cc3ccc(C#N)s3)CC2)CC[N@H+]1C	ZINC001000698856	680437551	/nfs/dbraw/zinc/43/75/51/680437551.db2.gz	COULYGLGQZMKFZ-RDTXWAMCSA-N	1	1	358.511	2.208	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(Br)cc1F	ZINC000836296439	680446595	/nfs/dbraw/zinc/44/65/95/680446595.db2.gz	CFIQBGSXYZLUDJ-UHFFFAOYSA-N	1	1	356.239	2.343	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CC#Cc2cccc(Cl)c2)CC[N@H+]1C	ZINC001038266630	680454638	/nfs/dbraw/zinc/45/46/38/680454638.db2.gz	UCLOZTZCDNZBJQ-AYOQOUSVSA-N	1	1	359.901	2.222	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1C	ZINC001042603217	680536124	/nfs/dbraw/zinc/53/61/24/680536124.db2.gz	CCDDVOHSQPGBNO-DAXOMENPSA-N	1	1	361.515	2.139	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCOC)CC1	ZINC001004437415	680556001	/nfs/dbraw/zinc/55/60/01/680556001.db2.gz	KSDCUDMBQDTWNK-QRVBRYPASA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCOC)CC1	ZINC001004574841	680560648	/nfs/dbraw/zinc/56/06/48/680560648.db2.gz	FKOQXLIYQKAQAQ-FHWLQOOXSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCOC)CC1	ZINC001004574842	680560894	/nfs/dbraw/zinc/56/08/94/680560894.db2.gz	FKOQXLIYQKAQAQ-OTWHNJEPSA-N	1	1	350.503	2.317	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1	ZINC000758302736	680568765	/nfs/dbraw/zinc/56/87/65/680568765.db2.gz	PLXYNEJERKXXRY-HOTGVXAUSA-N	1	1	355.479	2.053	20	30		FEEDMO
Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H](Nc2snc(Cl)c2C#N)C1	ZINC001043404219	680579801	/nfs/dbraw/zinc/57/98/01/680579801.db2.gz	NFAWAWSJMIYAIB-BXKDBHETSA-N	1	1	364.862	2.132	20	30		FEEDMO
C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2nc(C#N)c(Cl)s2)C1	ZINC001045497723	680632151	/nfs/dbraw/zinc/63/21/51/680632151.db2.gz	IGBLHAQYMJRQOD-QJPTWQEYSA-N	1	1	367.906	2.459	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1snnc1C	ZINC001045850668	680641453	/nfs/dbraw/zinc/64/14/53/680641453.db2.gz	CHSRMCSNXKBGJY-QXSJWSMHSA-N	1	1	362.499	2.003	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1snnc1C	ZINC001045850668	680641455	/nfs/dbraw/zinc/64/14/55/680641455.db2.gz	CHSRMCSNXKBGJY-QXSJWSMHSA-N	1	1	362.499	2.003	20	30		FEEDMO
C#Cc1ccc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)cn1	ZINC000759365498	680644687	/nfs/dbraw/zinc/64/46/87/680644687.db2.gz	RNEDURLCVQYRPU-IBGZPJMESA-N	1	1	351.475	2.410	20	30		FEEDMO
C#Cc1ccc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cn1	ZINC000759365498	680644692	/nfs/dbraw/zinc/64/46/92/680644692.db2.gz	RNEDURLCVQYRPU-IBGZPJMESA-N	1	1	351.475	2.410	20	30		FEEDMO
C=C(Br)CN1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC001046330870	680647191	/nfs/dbraw/zinc/64/71/91/680647191.db2.gz	VLQOGWQTYAZMLY-LZWOXQAQSA-N	1	1	358.324	2.206	20	30		FEEDMO
CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2cc(C#N)cs2)CC1	ZINC000841895000	680917020	/nfs/dbraw/zinc/91/70/20/680917020.db2.gz	LHIVSPCLXDGPDH-UHFFFAOYSA-N	1	1	351.472	2.471	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CCN(c2nc(C#N)c(Cl)s2)[C@@H]1C	ZINC001051026830	681060782	/nfs/dbraw/zinc/06/07/82/681060782.db2.gz	HSJSGEKIETVDDV-UTUOFQBUSA-N	1	1	367.906	2.236	20	30		FEEDMO
C[N@H+](CC(=O)OCc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCSC1	ZINC000772049784	681081474	/nfs/dbraw/zinc/08/14/74/681081474.db2.gz	PHRZFMASWNDCLY-CQSZACIVSA-N	1	1	358.423	2.089	20	30		FEEDMO
C[N@@H+](CC(=O)OCc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCSC1	ZINC000772049784	681081475	/nfs/dbraw/zinc/08/14/75/681081475.db2.gz	PHRZFMASWNDCLY-CQSZACIVSA-N	1	1	358.423	2.089	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCOCC2)CC1	ZINC001052786456	681086471	/nfs/dbraw/zinc/08/64/71/681086471.db2.gz	VSPJOUAVVDCQFR-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCOC)C2)C1	ZINC001054212863	681106575	/nfs/dbraw/zinc/10/65/75/681106575.db2.gz	OTFSJGMFXXYRHA-CMKODMSKSA-N	1	1	350.503	2.319	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000932714947	681295883	/nfs/dbraw/zinc/29/58/83/681295883.db2.gz	XCWLSOCCEYLDNY-MRXNPFEDSA-N	1	1	354.491	2.415	20	30		FEEDMO
C[N@H+]1C[C@@H](CNC(=O)N[C@@H](CC#N)C(F)(F)F)[C@H](c2ccccc2)C1	ZINC000932887526	681322978	/nfs/dbraw/zinc/32/29/78/681322978.db2.gz	PGHPBGKTBOJDRS-ILXRZTDVSA-N	1	1	354.376	2.476	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CC)C[NH+]2CCCC2)c1	ZINC000932960121	681336827	/nfs/dbraw/zinc/33/68/27/681336827.db2.gz	BQZCXOFLANYVSA-QGZVFWFLSA-N	1	1	362.495	2.088	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000847372343	681369529	/nfs/dbraw/zinc/36/95/29/681369529.db2.gz	IXKWWUVSWZHGEZ-LSDHHAIUSA-N	1	1	352.479	2.032	20	30		FEEDMO
C=C(Br)C[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1	ZINC000933556123	681432666	/nfs/dbraw/zinc/43/26/66/681432666.db2.gz	QOVCQYWZSANXSH-UHFFFAOYSA-N	1	1	359.289	2.422	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](CCCCC#N)CC12CN(C(=O)OC(C)(C)C)C2	ZINC000934048919	681501356	/nfs/dbraw/zinc/50/13/56/681501356.db2.gz	CBWKGRJMNOWUBH-AWEZNQCLSA-N	1	1	351.447	2.022	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1	ZINC000779196365	681687887	/nfs/dbraw/zinc/68/78/87/681687887.db2.gz	SXUPHLUFLQAXSJ-OCCSQVGLSA-N	1	1	355.360	2.478	20	30		FEEDMO
N#Cc1ccc([C@H](O)C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1	ZINC000780908287	681885484	/nfs/dbraw/zinc/88/54/84/681885484.db2.gz	SBUSBAVVADRPHS-SFHVURJKSA-N	1	1	355.463	2.040	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000780981552	681892809	/nfs/dbraw/zinc/89/28/09/681892809.db2.gz	UVTCLGRVORGAHV-ZWKOTPCHSA-N	1	1	354.539	2.346	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)Cc2nncs2)CC1	ZINC000957755676	681922245	/nfs/dbraw/zinc/92/22/45/681922245.db2.gz	NJDHZERFPUIZCU-CVEARBPZSA-N	1	1	364.515	2.190	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](CC)Cc2nncs2)CC1	ZINC000957755676	681922249	/nfs/dbraw/zinc/92/22/49/681922249.db2.gz	NJDHZERFPUIZCU-CVEARBPZSA-N	1	1	364.515	2.190	20	30		FEEDMO
Cc1cc(C)n(C2N=NC(=S)N2N=Cc2[nH+]c(C)n3ccccc23)n1	ZINC000914599951	685508769	/nfs/dbraw/zinc/50/87/69/685508769.db2.gz	OQNPDXKZYMUZFM-UHFFFAOYSA-N	1	1	352.427	2.208	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1	ZINC000940297600	682047953	/nfs/dbraw/zinc/04/79/53/682047953.db2.gz	KGXLWNUIVZSIET-UMVBOHGHSA-N	1	1	355.910	2.070	20	30		FEEDMO
C#CCOCC[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1	ZINC000851715520	682110228	/nfs/dbraw/zinc/11/02/28/682110228.db2.gz	XAXPRXDMYIKWIF-UHFFFAOYSA-N	1	1	360.845	2.157	20	30		FEEDMO
C#CCOCCNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000784601019	682240913	/nfs/dbraw/zinc/24/09/13/682240913.db2.gz	JXKKXUXRHAKNSA-KRWDZBQOSA-N	1	1	354.372	2.207	20	30		FEEDMO
O=C1OCCN1[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000852437652	682279028	/nfs/dbraw/zinc/27/90/28/682279028.db2.gz	ZMTPXNBGFSNVPS-CQSZACIVSA-N	1	1	354.328	2.463	20	30		FEEDMO
O=C1OCCN1[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000852437652	682279031	/nfs/dbraw/zinc/27/90/31/682279031.db2.gz	ZMTPXNBGFSNVPS-CQSZACIVSA-N	1	1	354.328	2.463	20	30		FEEDMO
C#CCCCNC(=O)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1	ZINC000787612519	682468174	/nfs/dbraw/zinc/46/81/74/682468174.db2.gz	YUWBQJNYSQXEEH-QGZVFWFLSA-N	1	1	361.873	2.123	20	30		FEEDMO
C#C[C@@H](NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1)C1CCOCC1	ZINC000856114127	682743035	/nfs/dbraw/zinc/74/30/35/682743035.db2.gz	WXOQXDSECFXIJU-GOSISDBHSA-N	1	1	361.511	2.208	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)C(F)(F)F)CC1	ZINC000859259389	683067819	/nfs/dbraw/zinc/06/78/19/683067819.db2.gz	KHNZUXKDTNMKML-AWEZNQCLSA-N	1	1	356.344	2.141	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(NC(C)=O)c(F)cc2F)C1	ZINC000929984313	683665193	/nfs/dbraw/zinc/66/51/93/683665193.db2.gz	OHOUCZVPCGDMIU-LBPRGKRZSA-N	1	1	350.369	2.142	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(NC(C)=O)c(F)cc2F)C1	ZINC000929984313	683665196	/nfs/dbraw/zinc/66/51/96/683665196.db2.gz	OHOUCZVPCGDMIU-LBPRGKRZSA-N	1	1	350.369	2.142	20	30		FEEDMO
N#Cc1ccc(Br)c(CNC[C@H]2CCCC[N@H+]2CCO)c1	ZINC000922153499	683670921	/nfs/dbraw/zinc/67/09/21/683670921.db2.gz	CTTVTEKGQIQBPY-OAHLLOKOSA-N	1	1	352.276	2.257	20	30		FEEDMO
N#Cc1ccc(Br)c(CNC[C@H]2CCCC[N@@H+]2CCO)c1	ZINC000922153499	683670924	/nfs/dbraw/zinc/67/09/24/683670924.db2.gz	CTTVTEKGQIQBPY-OAHLLOKOSA-N	1	1	352.276	2.257	20	30		FEEDMO
N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12	ZINC000922242660	683686382	/nfs/dbraw/zinc/68/63/82/683686382.db2.gz	MPYQTWDVIOGFQH-BZSNNMDCSA-N	1	1	356.495	2.425	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH+](C2CC2)CC1	ZINC000865029748	683925367	/nfs/dbraw/zinc/92/53/67/683925367.db2.gz	MFGONPOWQJNVTJ-CQSZACIVSA-N	1	1	357.882	2.329	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1	ZINC000923557749	684305817	/nfs/dbraw/zinc/30/58/17/684305817.db2.gz	QHPVFYVFGPEUJW-GFCCVEGCSA-N	1	1	355.316	2.441	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1	ZINC000923557749	684305820	/nfs/dbraw/zinc/30/58/20/684305820.db2.gz	QHPVFYVFGPEUJW-GFCCVEGCSA-N	1	1	355.316	2.441	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H]1COCCC1(OC)OC	ZINC000931672051	684325671	/nfs/dbraw/zinc/32/56/71/684325671.db2.gz	STHVTRXDMRYGEY-ZBFHGGJFSA-N	1	1	368.499	2.019	20	30		FEEDMO
N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1	ZINC000877565956	686410338	/nfs/dbraw/zinc/41/03/38/686410338.db2.gz	CEUJDKVUYDMCHQ-AAEUAGOBSA-N	1	1	372.778	2.449	20	30		FEEDMO
N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1	ZINC000877565956	686410341	/nfs/dbraw/zinc/41/03/41/686410341.db2.gz	CEUJDKVUYDMCHQ-AAEUAGOBSA-N	1	1	372.778	2.449	20	30		FEEDMO
CCOC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCC1(F)F	ZINC000879372139	686807892	/nfs/dbraw/zinc/80/78/92/686807892.db2.gz	XWDJSKOQCRIYLX-GFCCVEGCSA-N	1	1	371.409	2.469	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH2+][C@H](COC)c1cccc(Br)c1	ZINC000879661348	686882212	/nfs/dbraw/zinc/88/22/12/686882212.db2.gz	ADLBKYVRZCTCIM-OAHLLOKOSA-N	1	1	368.275	2.488	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883096603	687563744	/nfs/dbraw/zinc/56/37/44/687563744.db2.gz	MAEWWFSYGZNHJO-TVQRCGJNSA-N	1	1	364.247	2.320	20	30		FEEDMO
CN(C)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(Cl)cc1	ZINC000884231154	687825075	/nfs/dbraw/zinc/82/50/75/687825075.db2.gz	KHULKNWJMQEJPE-QZDWLRDRSA-N	1	1	360.889	2.198	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2nc3cc(Cl)ccc3n2C)C1	ZINC000884280074	687836062	/nfs/dbraw/zinc/83/60/62/687836062.db2.gz	AOZDRGNDALXBPJ-CQSZACIVSA-N	1	1	359.861	2.124	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2nc3cc(Cl)ccc3n2C)C1	ZINC000884280074	687836064	/nfs/dbraw/zinc/83/60/64/687836064.db2.gz	AOZDRGNDALXBPJ-CQSZACIVSA-N	1	1	359.861	2.124	20	30		FEEDMO
CCOCC[NH+]1CCN(C(=O)NCc2ccc(SC)c(C#N)c2)CC1	ZINC000890452587	688922557	/nfs/dbraw/zinc/92/25/57/688922557.db2.gz	SBLWTTBFODTDJO-UHFFFAOYSA-N	1	1	362.499	2.144	20	30		FEEDMO
C[C@@H](CNC(=O)NCc1nc(C#N)cs1)[N@H+]1CCc2ccccc2C1	ZINC000892018997	689141558	/nfs/dbraw/zinc/14/15/58/689141558.db2.gz	HVEDAYDWFVMBNC-ZDUSSCGKSA-N	1	1	355.467	2.261	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1	ZINC000897221950	689990823	/nfs/dbraw/zinc/99/08/23/689990823.db2.gz	QPNPQNPNVLOGNC-HOTGVXAUSA-N	1	1	350.260	2.356	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(Br)c1	ZINC000897221950	689990822	/nfs/dbraw/zinc/99/08/22/689990822.db2.gz	QPNPQNPNVLOGNC-HOTGVXAUSA-N	1	1	350.260	2.356	20	30		FEEDMO
CN(C(=O)NCc1nc(C#N)cs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000897289454	690000579	/nfs/dbraw/zinc/00/05/79/690000579.db2.gz	XTQYZYSTRONSND-INIZCTEOSA-N	1	1	355.467	2.431	20	30		FEEDMO
N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCC[N@@H+](CCF)C1	ZINC000898502795	690196638	/nfs/dbraw/zinc/19/66/38/690196638.db2.gz	FBNNCJOQXYUPTC-OAHLLOKOSA-N	1	1	368.250	2.413	20	30		FEEDMO
N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCC[N@H+](CCF)C1	ZINC000898502795	690196641	/nfs/dbraw/zinc/19/66/41/690196641.db2.gz	FBNNCJOQXYUPTC-OAHLLOKOSA-N	1	1	368.250	2.413	20	30		FEEDMO
C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000903032053	690835577	/nfs/dbraw/zinc/83/55/77/690835577.db2.gz	OXYDIGUSHPTUOW-OAHLLOKOSA-N	1	1	363.483	2.052	20	30		FEEDMO
N#Cc1cc(Cl)cc(CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1	ZINC000903446153	690894418	/nfs/dbraw/zinc/89/44/18/690894418.db2.gz	UJEWXPNUOULTNU-KDOFPFPSSA-N	1	1	360.889	2.292	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@H](OC)c1ccc(Br)s1	ZINC000908436252	691678504	/nfs/dbraw/zinc/67/85/04/691678504.db2.gz	FUNVIJVXANOYQB-ZDUSSCGKSA-N	1	1	359.289	2.269	20	30		FEEDMO
CSc1nc(-c2ccccc2)nc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1C#N	ZINC001164671520	719407796	/nfs/dbraw/zinc/40/77/96/719407796.db2.gz	PWRWXVSCUFWGOS-JKSUJKDBSA-N	1	1	367.478	2.256	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH]ccc5ncc(C#N)c4-5)C[C@H]3C2)cn1	ZINC001164773335	721181404	/nfs/dbraw/zinc/18/14/04/721181404.db2.gz	WHTHXEVHRNFIEB-NVXWUHKLSA-N	1	1	361.453	2.126	20	30		FEEDMO
Cc1nc(C#N)cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164908693	721566412	/nfs/dbraw/zinc/56/64/12/721566412.db2.gz	RSGYJWDXFRNHDH-AEFFLSMTSA-N	1	1	353.401	2.138	20	30		FEEDMO
Cc1cc(C#N)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164980352	722150345	/nfs/dbraw/zinc/15/03/45/722150345.db2.gz	NEEFZUIUTZFUSB-UXHICEINSA-N	1	1	363.465	2.384	20	30		FEEDMO
C[C@H](c1ccc(NC(=O)CNc2ccc(C#N)cn2)cc1)[NH+]1CCOCC1	ZINC000497859138	887630316	/nfs/dbraw/zinc/63/03/16/887630316.db2.gz	VDFLHKGDKVHXKK-OAHLLOKOSA-N	1	1	365.437	2.397	20	30		FEEDMO
CNC(=O)C1CC[NH+](CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1	ZINC000011166856	539525414	/nfs/dbraw/zinc/52/54/14/539525414.db2.gz	NBWDVQFGQKRGLE-UHFFFAOYSA-N	1	1	362.861	2.045	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1	ZINC000012141593	539546147	/nfs/dbraw/zinc/54/61/47/539546147.db2.gz	LOHDUAWRINZQEQ-UHFFFAOYSA-N	1	1	355.463	2.036	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)cc1	ZINC000012141593	539546152	/nfs/dbraw/zinc/54/61/52/539546152.db2.gz	LOHDUAWRINZQEQ-UHFFFAOYSA-N	1	1	355.463	2.036	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(NC(=O)COc3ccc(C#N)cc3)cc2)CC1	ZINC000041577005	540025584	/nfs/dbraw/zinc/02/55/84/540025584.db2.gz	CPZXBLGKZOFQJF-UHFFFAOYSA-N	1	1	364.449	2.323	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n(C)n1	ZINC000043434326	540100353	/nfs/dbraw/zinc/10/03/53/540100353.db2.gz	VLHXWAOTJCHHDS-UHFFFAOYSA-N	1	1	352.442	2.340	20	30		FEEDMO
C[C@H]1CCCN(C(=O)C2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)C1	ZINC000045804258	540229137	/nfs/dbraw/zinc/22/91/37/540229137.db2.gz	OXKWBGUOHQOPAY-KRWDZBQOSA-N	1	1	374.529	2.300	20	30		FEEDMO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1	ZINC000047104620	540289896	/nfs/dbraw/zinc/28/98/96/540289896.db2.gz	MBUCAUILFUMMTN-PKOBYXMFSA-N	1	1	371.460	2.156	20	30		FEEDMO
CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(C#N)cc1	ZINC000047739893	540326429	/nfs/dbraw/zinc/32/64/29/540326429.db2.gz	IDVGUFOIYXWNRQ-UHFFFAOYSA-N	1	1	356.348	2.158	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000048767304	540372902	/nfs/dbraw/zinc/37/29/02/540372902.db2.gz	RENBBXPXDJDTMN-QGZVFWFLSA-N	1	1	351.406	2.153	20	30		FEEDMO
CCCCN(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000052186431	540457130	/nfs/dbraw/zinc/45/71/30/540457130.db2.gz	CPTIYAWWOJZNLL-OXJNMPFZSA-N	1	1	364.534	2.400	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1	ZINC000052593987	540476663	/nfs/dbraw/zinc/47/66/63/540476663.db2.gz	MJRDMEOVZAJQPS-HNNXBMFYSA-N	1	1	359.449	2.013	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000052801550	540490141	/nfs/dbraw/zinc/49/01/41/540490141.db2.gz	RGITYBZCTDSNCP-QGZVFWFLSA-N	1	1	353.470	2.079	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000052801550	540490143	/nfs/dbraw/zinc/49/01/43/540490143.db2.gz	RGITYBZCTDSNCP-QGZVFWFLSA-N	1	1	353.470	2.079	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1	ZINC000052929755	540500557	/nfs/dbraw/zinc/50/05/57/540500557.db2.gz	HRQLXCHWRWNRJN-PBHICJAKSA-N	1	1	354.454	2.123	20	30		FEEDMO
Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000052746397	540487132	/nfs/dbraw/zinc/48/71/32/540487132.db2.gz	ONZBNAIBPHHRHF-NRFANRHFSA-N	1	1	370.497	2.244	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1	ZINC000054204381	540574622	/nfs/dbraw/zinc/57/46/22/540574622.db2.gz	YBBNVZMTZUHSBX-KRWDZBQOSA-N	1	1	358.486	2.465	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C1	ZINC000054939483	540617949	/nfs/dbraw/zinc/61/79/49/540617949.db2.gz	TVFANHYMMIVDGL-KXBFYZLASA-N	1	1	362.433	2.448	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C1	ZINC000054939535	540618054	/nfs/dbraw/zinc/61/80/54/540618054.db2.gz	IMXRPHPKWBRCST-KXBFYZLASA-N	1	1	362.433	2.448	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000055032842	540622908	/nfs/dbraw/zinc/62/29/08/540622908.db2.gz	YTESJXSUHONJPF-INIZCTEOSA-N	1	1	371.485	2.281	20	30		FEEDMO
N#Cc1ccnc(N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000055901113	540684977	/nfs/dbraw/zinc/68/49/77/540684977.db2.gz	NORVTYALGWLPBF-UHFFFAOYSA-N	1	1	367.409	2.453	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1	ZINC000057677070	540807367	/nfs/dbraw/zinc/80/73/67/540807367.db2.gz	ZLKRVZVRZIILBH-AWEZNQCLSA-N	1	1	356.470	2.432	20	30		FEEDMO
C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1	ZINC000058422043	540842752	/nfs/dbraw/zinc/84/27/52/540842752.db2.gz	HYZYVBUTRBSNPP-WMZOPIPTSA-N	1	1	354.406	2.070	20	30		FEEDMO
N#Cc1ccc(NCC(=O)N2CC[NH+](CCc3cccs3)CC2)cc1	ZINC000064739733	541216241	/nfs/dbraw/zinc/21/62/41/541216241.db2.gz	MITXWXHUUXCDTL-UHFFFAOYSA-N	1	1	354.479	2.419	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000066241215	541294257	/nfs/dbraw/zinc/29/42/57/541294257.db2.gz	MIAYRMYCROONKW-HUUCEWRRSA-N	1	1	366.469	2.176	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000066140028	541284514	/nfs/dbraw/zinc/28/45/14/541284514.db2.gz	HGNSIJMZWWFVSQ-OAHLLOKOSA-N	1	1	365.499	2.224	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@H]2CO)c1C#N	ZINC000072517755	541824983	/nfs/dbraw/zinc/82/49/83/541824983.db2.gz	VWRAOQNEJOOMSF-KRWDZBQOSA-N	1	1	352.438	2.361	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@H]2CO)c1C#N	ZINC000072517755	541824985	/nfs/dbraw/zinc/82/49/85/541824985.db2.gz	VWRAOQNEJOOMSF-KRWDZBQOSA-N	1	1	352.438	2.361	20	30		FEEDMO
CC(C)c1[nH+]ccn1CCC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000073309044	541943007	/nfs/dbraw/zinc/94/30/07/541943007.db2.gz	LJPWUQTYCUMWPK-UHFFFAOYSA-N	1	1	366.469	2.448	20	30		FEEDMO
N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCCC[NH+]1CCOCC1	ZINC000073426053	541952836	/nfs/dbraw/zinc/95/28/36/541952836.db2.gz	WNMVIMYYMFCCLZ-RBUKOAKNSA-N	1	1	356.470	2.190	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(OC(F)(F)F)cc1	ZINC000074235914	542057789	/nfs/dbraw/zinc/05/77/89/542057789.db2.gz	ALCFCFBUYBSJMZ-LLVKDONJSA-N	1	1	359.348	2.417	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1	ZINC000074235914	542057790	/nfs/dbraw/zinc/05/77/90/542057790.db2.gz	ALCFCFBUYBSJMZ-LLVKDONJSA-N	1	1	359.348	2.417	20	30		FEEDMO
N#Cc1ccc(OCC[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1	ZINC000076048549	542226665	/nfs/dbraw/zinc/22/66/65/542226665.db2.gz	NYECYBTUJHIBKP-LJQANCHMSA-N	1	1	357.454	2.040	20	30		FEEDMO
N#Cc1ccc(OCC[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1	ZINC000076048549	542226668	/nfs/dbraw/zinc/22/66/68/542226668.db2.gz	NYECYBTUJHIBKP-LJQANCHMSA-N	1	1	357.454	2.040	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1	ZINC000076618048	542301778	/nfs/dbraw/zinc/30/17/78/542301778.db2.gz	LQKIBOZBFWUBDN-LJQANCHMSA-N	1	1	362.433	2.230	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000076980434	542338641	/nfs/dbraw/zinc/33/86/41/542338641.db2.gz	PYCSPVZXZIBYNQ-IBGZPJMESA-N	1	1	356.470	2.201	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1	ZINC000078955698	542490867	/nfs/dbraw/zinc/49/08/67/542490867.db2.gz	RRTMFPRXGFOWTM-SFHVURJKSA-N	1	1	369.440	2.454	20	30		FEEDMO
CCN(CCC#N)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000079856692	542545939	/nfs/dbraw/zinc/54/59/39/542545939.db2.gz	RFZRWFAWUSOQOP-UHFFFAOYSA-N	1	1	371.485	2.161	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2	ZINC000802010693	674158439	/nfs/dbraw/zinc/15/84/39/674158439.db2.gz	HCORGUSACUOARM-KXBFYZLASA-N	1	1	351.491	2.400	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@H]1CCCN(c2ccccc2)C1	ZINC000081013580	542623547	/nfs/dbraw/zinc/62/35/47/542623547.db2.gz	NUOHZANNHDHANQ-IBGZPJMESA-N	1	1	353.470	2.243	20	30		FEEDMO
CCN(CCC#N)C(=O)CNc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000088524469	542752418	/nfs/dbraw/zinc/75/24/18/542752418.db2.gz	JMLGPGDFZQKWSW-CALCHBBNSA-N	1	1	358.486	2.470	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](C)[C@@H](CO)c1cccc(Br)c1	ZINC000092808626	542888269	/nfs/dbraw/zinc/88/82/69/542888269.db2.gz	REYGBRYVGNQHJK-HNNXBMFYSA-N	1	1	368.275	2.176	20	30		FEEDMO
COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCC(=O)N(C)CCC#N	ZINC000092804531	542888318	/nfs/dbraw/zinc/88/83/18/542888318.db2.gz	FTJHQPFLSOGKPS-KRWDZBQOSA-N	1	1	372.469	2.169	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)CCC3CCCCC3)CC2)o1	ZINC000101565690	543034031	/nfs/dbraw/zinc/03/40/31/543034031.db2.gz	ORNIHDCJCRRRSQ-UHFFFAOYSA-N	1	1	373.501	2.406	20	30		FEEDMO
CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)N(C)C	ZINC000103469451	543109052	/nfs/dbraw/zinc/10/90/52/543109052.db2.gz	NMXUGXYMQDXUDP-UHFFFAOYSA-N	1	1	362.499	2.237	20	30		FEEDMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000104075738	543122455	/nfs/dbraw/zinc/12/24/55/543122455.db2.gz	LQMASQYUEJINOH-CHWSQXEVSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[N@@H+](CCN1CCN(C(=O)C2(C#N)CCCC2)CC1)Cc1ccccc1	ZINC000104438133	543131757	/nfs/dbraw/zinc/13/17/57/543131757.db2.gz	AGVXNGBBLMUMLG-UHFFFAOYSA-N	1	1	354.498	2.347	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H]1CCCN1c1cccnn1	ZINC000106087280	543194049	/nfs/dbraw/zinc/19/40/49/543194049.db2.gz	SCODVWQOQKFBIN-RDJZCZTQSA-N	1	1	364.453	2.276	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCO[C@H](C#N)C2)C1	ZINC000106330810	543223668	/nfs/dbraw/zinc/22/36/68/543223668.db2.gz	CNHDIZUEJXLYGT-VQIMIIECSA-N	1	1	356.470	2.352	20	30		FEEDMO
CCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1	ZINC000108611315	543297682	/nfs/dbraw/zinc/29/76/82/543297682.db2.gz	CVFXQQCPZKEUKN-UHFFFAOYSA-N	1	1	360.483	2.185	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000108619111	543298470	/nfs/dbraw/zinc/29/84/70/543298470.db2.gz	HZGDFUCPTUIODH-OAHLLOKOSA-N	1	1	372.494	2.231	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1	ZINC000109232984	543318953	/nfs/dbraw/zinc/31/89/53/543318953.db2.gz	GSWVRXPUKMCFIJ-GOSISDBHSA-N	1	1	359.514	2.422	20	30		FEEDMO
COCC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000111208789	543384965	/nfs/dbraw/zinc/38/49/65/543384965.db2.gz	FZXWRXNUJGHCRT-HNNXBMFYSA-N	1	1	355.360	2.170	20	30		FEEDMO
COCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O	ZINC000111208789	543384967	/nfs/dbraw/zinc/38/49/67/543384967.db2.gz	FZXWRXNUJGHCRT-HNNXBMFYSA-N	1	1	355.360	2.170	20	30		FEEDMO
CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)CS(=O)(=O)CC	ZINC000112998971	543472409	/nfs/dbraw/zinc/47/24/09/543472409.db2.gz	QRCABUYDTHZNCB-CQSZACIVSA-N	1	1	351.472	2.032	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)CS(=O)(=O)CC	ZINC000112998971	543472410	/nfs/dbraw/zinc/47/24/10/543472410.db2.gz	QRCABUYDTHZNCB-CQSZACIVSA-N	1	1	351.472	2.032	20	30		FEEDMO
COc1ccnc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000116167799	543602549	/nfs/dbraw/zinc/60/25/49/543602549.db2.gz	VAYWZWDHRJRWQQ-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
COc1ccnc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000116167799	543602551	/nfs/dbraw/zinc/60/25/51/543602551.db2.gz	VAYWZWDHRJRWQQ-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccccc1SC[C@@H](C)C#N)[N@@H+](C)C1CC1	ZINC000118129303	543647816	/nfs/dbraw/zinc/64/78/16/543647816.db2.gz	XIRXIBXUNCESFJ-UONOGXRCSA-N	1	1	374.510	2.476	20	30		FEEDMO
COC(=O)[C@@]1(NCCCSCC#N)CCC[N@@H+](Cc2ccccc2)C1	ZINC000121124481	543689487	/nfs/dbraw/zinc/68/94/87/543689487.db2.gz	VHIRLTDDJWEERJ-LJQANCHMSA-N	1	1	361.511	2.431	20	30		FEEDMO
C[C@@H]1C[C@@H](N(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[N@H+]1C	ZINC000123663027	543775873	/nfs/dbraw/zinc/77/58/73/543775873.db2.gz	MEKLWTSBHJVAAS-QAPCUYQASA-N	1	1	366.469	2.097	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1	ZINC000127097025	543973078	/nfs/dbraw/zinc/97/30/78/543973078.db2.gz	HOLLBHCPSSZINY-IBGZPJMESA-N	1	1	352.394	2.322	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1	ZINC000127451468	543993879	/nfs/dbraw/zinc/99/38/79/543993879.db2.gz	LJNXCDSBVSMXRB-SFHVURJKSA-N	1	1	367.453	2.060	20	30		FEEDMO
C[NH+](C)CCN1CCC(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000130831146	544167095	/nfs/dbraw/zinc/16/70/95/544167095.db2.gz	JZUAKSXDWZTNBM-UHFFFAOYSA-N	1	1	372.513	2.105	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC(=O)N[C@H]3CCCC[C@@H]31)CCC2	ZINC000133442512	544270051	/nfs/dbraw/zinc/27/00/51/544270051.db2.gz	PSUGVWMMAZZDEN-GJZGRUSLSA-N	1	1	372.494	2.180	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC(=O)N[C@H]3CCCC[C@@H]31)CCC2	ZINC000133442512	544270052	/nfs/dbraw/zinc/27/00/52/544270052.db2.gz	PSUGVWMMAZZDEN-GJZGRUSLSA-N	1	1	372.494	2.180	20	30		FEEDMO
C[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)CN1CC[NH+](C)CC1	ZINC000133827788	544285155	/nfs/dbraw/zinc/28/51/55/544285155.db2.gz	YJOXCLCYYXAATE-IEBWSBKVSA-N	1	1	357.502	2.214	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)cc1F)Cc1ccccc1	ZINC000135707095	544359276	/nfs/dbraw/zinc/35/92/76/544359276.db2.gz	BJOQATZQESIBPF-UHFFFAOYSA-N	1	1	368.412	2.274	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000150778622	544469207	/nfs/dbraw/zinc/46/92/07/544469207.db2.gz	ANQSZKKXQITITQ-PBHICJAKSA-N	1	1	356.470	2.271	20	30		FEEDMO
CC(C)(C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CCS(C)(=O)=O	ZINC000152261776	544631230	/nfs/dbraw/zinc/63/12/30/544631230.db2.gz	HQZDOLUPUNSITM-UHFFFAOYSA-N	1	1	351.472	2.032	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2c(F)cc(C#N)cc2F)C[C@@H](C)O1	ZINC000152425663	544651730	/nfs/dbraw/zinc/65/17/30/544651730.db2.gz	CIFTWYWMWJIFBA-VXGBXAGGSA-N	1	1	351.397	2.454	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3nncn3C3CC3)C2)CCCCC1	ZINC000152463152	544656473	/nfs/dbraw/zinc/65/64/73/544656473.db2.gz	YRZMDPJFSZJKRD-OAHLLOKOSA-N	1	1	356.474	2.135	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)CCCCC1	ZINC000152463152	544656483	/nfs/dbraw/zinc/65/64/83/544656483.db2.gz	YRZMDPJFSZJKRD-OAHLLOKOSA-N	1	1	356.474	2.135	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)CCSC	ZINC000152493034	544660441	/nfs/dbraw/zinc/66/04/41/544660441.db2.gz	OTYIWPNLMJPWLF-UHFFFAOYSA-N	1	1	352.504	2.246	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)CCSC	ZINC000152493034	544660443	/nfs/dbraw/zinc/66/04/43/544660443.db2.gz	OTYIWPNLMJPWLF-UHFFFAOYSA-N	1	1	352.504	2.246	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[C@H]1CCSC1	ZINC000152615516	544674425	/nfs/dbraw/zinc/67/44/25/544674425.db2.gz	FFFYPGZTNRJEHK-INIZCTEOSA-N	1	1	359.495	2.365	20	30		FEEDMO
CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153274566	544755332	/nfs/dbraw/zinc/75/53/32/544755332.db2.gz	ZMVUGENMIHTYPI-GFCCVEGCSA-N	1	1	372.498	2.477	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C[C@@H]21	ZINC000153137472	544738177	/nfs/dbraw/zinc/73/81/77/544738177.db2.gz	IQEBICRNCIGPRW-HOTGVXAUSA-N	1	1	360.364	2.227	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1	ZINC000154729002	544941667	/nfs/dbraw/zinc/94/16/67/544941667.db2.gz	NQFOKUWAPLIGPZ-INIZCTEOSA-N	1	1	359.470	2.443	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(OCCCO)CC1	ZINC000155084838	544986523	/nfs/dbraw/zinc/98/65/23/544986523.db2.gz	SYBBRJUGULRCMN-KRWDZBQOSA-N	1	1	359.470	2.185	20	30		FEEDMO
CC(C)OCC[NH+]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182819744	327790224	/nfs/dbraw/zinc/79/02/24/327790224.db2.gz	SLCLHZSJLAWZGJ-HXUWFJFHSA-N	1	1	370.497	2.096	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@H](C(N)=O)C1	ZINC000187371098	328020514	/nfs/dbraw/zinc/02/05/14/328020514.db2.gz	LJIMTMYPTHHUJP-DOMZBBRYSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000189146880	328131210	/nfs/dbraw/zinc/13/12/10/328131210.db2.gz	GELVSELWBOTGLW-NWDGAFQWSA-N	1	1	357.426	2.235	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000189146880	328131212	/nfs/dbraw/zinc/13/12/12/328131212.db2.gz	GELVSELWBOTGLW-NWDGAFQWSA-N	1	1	357.426	2.235	20	30		FEEDMO
C[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1ccc(C#N)cc1	ZINC000191889867	328286981	/nfs/dbraw/zinc/28/69/81/328286981.db2.gz	LTLVNDGFYQHMTC-UHFFFAOYSA-N	1	1	357.479	2.452	20	30		FEEDMO
C[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1ccc(C#N)cc1	ZINC000191889867	328286982	/nfs/dbraw/zinc/28/69/82/328286982.db2.gz	LTLVNDGFYQHMTC-UHFFFAOYSA-N	1	1	357.479	2.452	20	30		FEEDMO
N#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1O	ZINC000192231094	328308007	/nfs/dbraw/zinc/30/80/07/328308007.db2.gz	FYFLVOARQVHKHE-LJQANCHMSA-N	1	1	365.433	2.285	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2=O)cc1	ZINC000192241557	328308900	/nfs/dbraw/zinc/30/89/00/328308900.db2.gz	ITZQYWHEFVULEB-HNNXBMFYSA-N	1	1	356.407	2.419	20	30		FEEDMO
CC[C@H](NC(=O)c1ccnc(C#N)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000193543906	328380882	/nfs/dbraw/zinc/38/08/82/328380882.db2.gz	PFOZVVXNPDJLLZ-PMACEKPBSA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@H](NC(=O)c1ccnc(C#N)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000193543906	328380884	/nfs/dbraw/zinc/38/08/84/328380884.db2.gz	PFOZVVXNPDJLLZ-PMACEKPBSA-N	1	1	364.449	2.363	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([NH+]3CCC(OC[C@@H]4CCCO4)CC3)C2=O)cc1	ZINC000083413314	325218726	/nfs/dbraw/zinc/21/87/26/325218726.db2.gz	ANSUYGSMOZMCKD-PMACEKPBSA-N	1	1	369.465	2.324	20	30		FEEDMO
N#Cc1cccnc1N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1	ZINC000120546288	326267257	/nfs/dbraw/zinc/26/72/57/326267257.db2.gz	CVGBCJAIJBEPMJ-KRWDZBQOSA-N	1	1	372.856	2.169	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(c2ccccc2Cl)C1=O	ZINC000121377262	326333727	/nfs/dbraw/zinc/33/37/27/326333727.db2.gz	ILGJIYLCFIXKDX-INIZCTEOSA-N	1	1	372.860	2.187	20	30		FEEDMO
N#Cc1cnc(NCCCCN2CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000121772734	326366148	/nfs/dbraw/zinc/36/61/48/326366148.db2.gz	IRJJISHBCBGWIG-UHFFFAOYSA-N	1	1	350.470	2.358	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cc(C#N)ccc2C)CC1=O	ZINC000171541451	327144927	/nfs/dbraw/zinc/14/49/27/327144927.db2.gz	ODZQYNWAKVILQX-SJORKVTESA-N	1	1	354.454	2.138	20	30		FEEDMO
C[C@@H](NC(=O)COc1ccccc1C#N)C1([NH+]2CCOCC2)CCCC1	ZINC000173178417	327239188	/nfs/dbraw/zinc/23/91/88/327239188.db2.gz	XPCAKDCHHSQGER-MRXNPFEDSA-N	1	1	357.454	2.087	20	30		FEEDMO
C[NH+]1CCN([C@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2)CC1	ZINC000173281171	327246454	/nfs/dbraw/zinc/24/64/54/327246454.db2.gz	LOXXEMAZDLPYJW-FQEVSTJZSA-N	1	1	354.498	2.119	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCCOc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000173800287	327285116	/nfs/dbraw/zinc/28/51/16/327285116.db2.gz	GNEXBFNDQAMZAS-HZPDHXFCSA-N	1	1	374.485	2.124	20	30		FEEDMO
CN1CC[NH+](CCOc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CC1	ZINC000174036556	327303125	/nfs/dbraw/zinc/30/31/25/327303125.db2.gz	CRKHWGQPFVWOEU-UHFFFAOYSA-N	1	1	364.449	2.437	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1C#N	ZINC000174643313	327340920	/nfs/dbraw/zinc/34/09/20/327340920.db2.gz	XGRMLOQCHZUKEP-OAHLLOKOSA-N	1	1	356.470	2.434	20	30		FEEDMO
N#Cc1ccc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)s1	ZINC000176444368	327456250	/nfs/dbraw/zinc/45/62/50/327456250.db2.gz	XUJQRZSSRWGNAU-HNNXBMFYSA-N	1	1	366.406	2.227	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCc2cccc(C#N)c2)C[C@H](C)O1	ZINC000264235339	329003152	/nfs/dbraw/zinc/00/31/52/329003152.db2.gz	GBZDIPXYXUVZHE-JTDSTZFVSA-N	1	1	356.470	2.341	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCc2cccc(C#N)c2)C[C@H](C)O1	ZINC000264235339	329003153	/nfs/dbraw/zinc/00/31/53/329003153.db2.gz	GBZDIPXYXUVZHE-JTDSTZFVSA-N	1	1	356.470	2.341	20	30		FEEDMO
Cc1noc(CCC[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1	ZINC000266881542	329268693	/nfs/dbraw/zinc/26/86/93/329268693.db2.gz	OOUYEENCDJJERG-UHFFFAOYSA-N	1	1	368.397	2.253	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1	ZINC000367096262	330216136	/nfs/dbraw/zinc/21/61/36/330216136.db2.gz	JNZUZNBMPCNQTI-ZWKOTPCHSA-N	1	1	359.495	2.161	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc1	ZINC000367096262	330216137	/nfs/dbraw/zinc/21/61/37/330216137.db2.gz	JNZUZNBMPCNQTI-ZWKOTPCHSA-N	1	1	359.495	2.161	20	30		FEEDMO
C=C(Cl)CNC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000805132989	674321655	/nfs/dbraw/zinc/32/16/55/674321655.db2.gz	VTMKPOSJPSULHN-GOSISDBHSA-N	1	1	362.905	2.341	20	30		FEEDMO
CC[C@H](COC)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000328633042	522230579	/nfs/dbraw/zinc/23/05/79/522230579.db2.gz	SHUBRDLRTMLJKQ-USXIJHARSA-N	1	1	351.495	2.074	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21	ZINC000155370167	545518527	/nfs/dbraw/zinc/51/85/27/545518527.db2.gz	QOLRVEYUAKOUMD-BBRMVZONSA-N	1	1	360.845	2.093	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(=O)Nc1ccc(F)cc1	ZINC000155683512	545558064	/nfs/dbraw/zinc/55/80/64/545558064.db2.gz	NZQUTJXKCHLHJX-AWEZNQCLSA-N	1	1	368.416	2.027	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)Nc1ccc(F)cc1	ZINC000155683512	545558067	/nfs/dbraw/zinc/55/80/67/545558067.db2.gz	NZQUTJXKCHLHJX-AWEZNQCLSA-N	1	1	368.416	2.027	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000155963545	545587470	/nfs/dbraw/zinc/58/74/70/545587470.db2.gz	SPXXHJBGWAVCTL-VQIMIIECSA-N	1	1	366.465	2.281	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1F	ZINC000156023529	545592447	/nfs/dbraw/zinc/59/24/47/545592447.db2.gz	LLQSVBKGZQDVOD-ACJLOTCBSA-N	1	1	370.428	2.111	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000156026691	545593726	/nfs/dbraw/zinc/59/37/26/545593726.db2.gz	CJLDOOFQDXXOLB-LPHOPBHVSA-N	1	1	351.450	2.082	20	30		FEEDMO
CCc1ccc(C[NH+]2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)s1	ZINC000156789516	545661129	/nfs/dbraw/zinc/66/11/29/545661129.db2.gz	MWMPIAZJAVRYLH-IBGZPJMESA-N	1	1	360.527	2.237	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1	ZINC000157910972	545798335	/nfs/dbraw/zinc/79/83/35/545798335.db2.gz	SPVGWSYSKSQRSE-ACRUOGEOSA-N	1	1	352.434	2.416	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1	ZINC000157910972	545798341	/nfs/dbraw/zinc/79/83/41/545798341.db2.gz	SPVGWSYSKSQRSE-ACRUOGEOSA-N	1	1	352.434	2.416	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)NC[C@H](c2cccc(OC)c2)N(C)C)CC1	ZINC000171699251	546219642	/nfs/dbraw/zinc/21/96/42/546219642.db2.gz	KVQMOCBIFUMSHL-LJQANCHMSA-N	1	1	360.502	2.248	20	30		FEEDMO
C=CCc1cc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc(OC)c1OC	ZINC000174200446	546293614	/nfs/dbraw/zinc/29/36/14/546293614.db2.gz	LBKAAIGTSURJRX-MRXNPFEDSA-N	1	1	374.481	2.227	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000174246322	546293936	/nfs/dbraw/zinc/29/39/36/546293936.db2.gz	PCIIHEUBZCBOJT-UHFFFAOYSA-N	1	1	360.414	2.200	20	30		FEEDMO
CN(CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000174954625	546304997	/nfs/dbraw/zinc/30/49/97/546304997.db2.gz	ISRPDHJCCUYNEM-TZIWHRDSSA-N	1	1	354.498	2.391	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(F)cc1C#N)C1CCCCC1	ZINC000175948729	546377645	/nfs/dbraw/zinc/37/76/45/546377645.db2.gz	MYDIZMCGHFOJAV-UHFFFAOYSA-N	1	1	360.433	2.407	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1	ZINC000176041315	546394416	/nfs/dbraw/zinc/39/44/16/546394416.db2.gz	LTLYHVNJLIHBMV-UHFFFAOYSA-N	1	1	363.461	2.481	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CCN2CCC[N@H+](C3CCCC3)CC2)c1	ZINC000179001079	546885389	/nfs/dbraw/zinc/88/53/89/546885389.db2.gz	FQVYNHXZTYKVRK-UHFFFAOYSA-N	1	1	361.511	2.282	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000481782576	561242200	/nfs/dbraw/zinc/24/22/00/561242200.db2.gz	YGLYBVZETQDAIJ-CVEARBPZSA-N	1	1	363.527	2.499	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000481880095	561244601	/nfs/dbraw/zinc/24/46/01/561244601.db2.gz	SKPLIKPQOLOJFB-IAGOWNOFSA-N	1	1	373.497	2.104	20	30		FEEDMO
Cc1onc(CC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1C#N	ZINC000482268856	561251536	/nfs/dbraw/zinc/25/15/36/561251536.db2.gz	RBDFJFROYBZMCZ-LJQANCHMSA-N	1	1	352.438	2.424	20	30		FEEDMO
COc1cccc([C@H]2[C@H](NS(=O)(=O)CCCC#N)CC[N@@H+]2C2CC2)c1	ZINC000179901314	547027044	/nfs/dbraw/zinc/02/70/44/547027044.db2.gz	CDIUPBQNFLPHLA-MSOLQXFVSA-N	1	1	363.483	2.196	20	30		FEEDMO
COc1cccc([C@H]2[C@H](NS(=O)(=O)CCCC#N)CC[N@H+]2C2CC2)c1	ZINC000179901314	547027046	/nfs/dbraw/zinc/02/70/46/547027046.db2.gz	CDIUPBQNFLPHLA-MSOLQXFVSA-N	1	1	363.483	2.196	20	30		FEEDMO
COc1ccccc1[C@H](CNS(=O)(=O)CC1(C#N)CC1)[NH+]1CCCC1	ZINC000180388861	547097584	/nfs/dbraw/zinc/09/75/84/547097584.db2.gz	YJGPWRCXACLZQJ-INIZCTEOSA-N	1	1	363.483	2.055	20	30		FEEDMO
C[C@@H]1CCC[C@H]([NH+]2CCC(NCCNC(=O)C3N=CC=CC3=O)CC2)C1	ZINC000180882615	547201620	/nfs/dbraw/zinc/20/16/20/547201620.db2.gz	LVXJUWBHHFKYET-RFGMHMOMSA-N	1	1	360.502	2.146	20	30		FEEDMO
C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2cc(C#N)ccn2)C[C@@H](C)O1	ZINC000482997424	561264585	/nfs/dbraw/zinc/26/45/85/561264585.db2.gz	DJARPRDDMDTWAO-HZPDHXFCSA-N	1	1	364.449	2.492	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000180905615	547206815	/nfs/dbraw/zinc/20/68/15/547206815.db2.gz	KWAZRKCJVWERLU-CQSZACIVSA-N	1	1	368.412	2.273	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F	ZINC000483099717	561267440	/nfs/dbraw/zinc/26/74/40/561267440.db2.gz	MONINVCSVUYJLF-GXTWGEPZSA-N	1	1	373.375	2.216	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1	ZINC000483173760	561269547	/nfs/dbraw/zinc/26/95/47/561269547.db2.gz	IAQCMQILZCYMKK-GHTZIAJQSA-N	1	1	361.482	2.425	20	30		FEEDMO
COCc1noc([C@@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000181503644	547324510	/nfs/dbraw/zinc/32/45/10/547324510.db2.gz	UAQNDOOJVCCVBW-OAHLLOKOSA-N	1	1	355.442	2.357	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2cccc(F)c2F)CC1	ZINC000181976451	547416672	/nfs/dbraw/zinc/41/66/72/547416672.db2.gz	KDXCLEKTTAXAJV-PBHICJAKSA-N	1	1	364.440	2.308	20	30		FEEDMO
C=CC[NH+](CC=C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000183160293	547613059	/nfs/dbraw/zinc/61/30/59/547613059.db2.gz	OBCXVRVJWJSVND-LJQANCHMSA-N	1	1	356.445	2.209	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH2+][C@@H](CO)c1cccc(Br)c1	ZINC000183885706	547734390	/nfs/dbraw/zinc/73/43/90/547734390.db2.gz	KHVDAXFPTFYVAM-HNNXBMFYSA-N	1	1	353.260	2.273	20	30		FEEDMO
CC[N@@H+](CCO)CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1	ZINC000183992146	547750961	/nfs/dbraw/zinc/75/09/61/547750961.db2.gz	VKXYEIIBONZZTJ-UHFFFAOYSA-N	1	1	367.449	2.181	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C(C)C	ZINC000184842132	547886325	/nfs/dbraw/zinc/88/63/25/547886325.db2.gz	WCOOWGIDNZIOEX-DLBZAZTESA-N	1	1	369.465	2.111	20	30		FEEDMO
C[NH+](C)CC1(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)CCCC1	ZINC000185091610	547931995	/nfs/dbraw/zinc/93/19/95/547931995.db2.gz	ZUDDCOOYHWWDPV-UHFFFAOYSA-N	1	1	357.426	2.237	20	30		FEEDMO
CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2ccc(C#N)cc2OC)c1	ZINC000185493248	547991949	/nfs/dbraw/zinc/99/19/49/547991949.db2.gz	QQTVLQGTRCJGGC-UHFFFAOYSA-N	1	1	373.478	2.497	20	30		FEEDMO
C[C@@H](C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1)N1CC[NH+](C)CC1	ZINC000186269978	548111324	/nfs/dbraw/zinc/11/13/24/548111324.db2.gz	PJUAJEWQVNLMCP-NHYWBVRUSA-N	1	1	355.269	2.310	20	30		FEEDMO
C=CCn1c2nnc(SC[C@H]3CC[N@H+](C)C3)n2c2ccccc2c1=O	ZINC000187649549	548260895	/nfs/dbraw/zinc/26/08/95/548260895.db2.gz	IMNIJKXQVXYHLM-ZDUSSCGKSA-N	1	1	355.467	2.274	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OCC)ccc2C)CC1	ZINC000187853840	548265467	/nfs/dbraw/zinc/26/54/67/548265467.db2.gz	QLALSEMCPNWDJG-UHFFFAOYSA-N	1	1	366.483	2.100	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1	ZINC000188661369	548284425	/nfs/dbraw/zinc/28/44/25/548284425.db2.gz	GYLLGUQRDIEEBW-OAHLLOKOSA-N	1	1	362.470	2.177	20	30		FEEDMO
C[C@@H]1CC(O)C[C@H](C)[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000191193600	548341938	/nfs/dbraw/zinc/34/19/38/548341938.db2.gz	XGEXNYYSIBUENM-VMZNBEPHSA-N	1	1	368.399	2.407	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000191794643	548351553	/nfs/dbraw/zinc/35/15/53/548351553.db2.gz	URCFUWBEZMMATL-BQFCYCMXSA-N	1	1	357.454	2.453	20	30		FEEDMO
COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C[C@@H]1C	ZINC000191794643	548351558	/nfs/dbraw/zinc/35/15/58/548351558.db2.gz	URCFUWBEZMMATL-BQFCYCMXSA-N	1	1	357.454	2.453	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1	ZINC000193620213	548392015	/nfs/dbraw/zinc/39/20/15/548392015.db2.gz	FWXADWNFXQNWBW-GBESFXJTSA-N	1	1	354.498	2.432	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](CCC(N)=O)C1	ZINC000245393023	548906387	/nfs/dbraw/zinc/90/63/87/548906387.db2.gz	BZNXJDODICWLQZ-OLZOCXBDSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](CCC(N)=O)C1	ZINC000245393023	548906390	/nfs/dbraw/zinc/90/63/90/548906390.db2.gz	BZNXJDODICWLQZ-OLZOCXBDSA-N	1	1	374.510	2.413	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000245437604	548919550	/nfs/dbraw/zinc/91/95/50/548919550.db2.gz	DXLMWUSSTACRHI-HUUCEWRRSA-N	1	1	359.430	2.065	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000245437604	548919556	/nfs/dbraw/zinc/91/95/56/548919556.db2.gz	DXLMWUSSTACRHI-HUUCEWRRSA-N	1	1	359.430	2.065	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCC[C@H]1C	ZINC000487978305	561380434	/nfs/dbraw/zinc/38/04/34/561380434.db2.gz	XNTHMPLDDOTTNX-QAPCUYQASA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCC[C@H]1C	ZINC000487978305	561380435	/nfs/dbraw/zinc/38/04/35/561380435.db2.gz	XNTHMPLDDOTTNX-QAPCUYQASA-N	1	1	350.484	2.469	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@H]1c1ccccc1	ZINC000245624432	548960431	/nfs/dbraw/zinc/96/04/31/548960431.db2.gz	GBOYOCNYLHFLBM-ZWKOTPCHSA-N	1	1	366.396	2.197	20	30		FEEDMO
C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@H]1c1ccccc1	ZINC000245641873	548964160	/nfs/dbraw/zinc/96/41/60/548964160.db2.gz	KQTSMHYKOYVWOB-QZTJIDSGSA-N	1	1	366.396	2.197	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H]1C	ZINC000245858523	549005499	/nfs/dbraw/zinc/00/54/99/549005499.db2.gz	HLLOZHPIVFFRJQ-BRWVUGGUSA-N	1	1	360.527	2.435	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000246189308	549072631	/nfs/dbraw/zinc/07/26/31/549072631.db2.gz	WASXYFCUGWFFKF-JKSUJKDBSA-N	1	1	370.501	2.135	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000246189308	549072634	/nfs/dbraw/zinc/07/26/34/549072634.db2.gz	WASXYFCUGWFFKF-JKSUJKDBSA-N	1	1	370.501	2.135	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1F	ZINC000246764490	549206783	/nfs/dbraw/zinc/20/67/83/549206783.db2.gz	YIGXVGVUARGFBZ-SCLBCKFNSA-N	1	1	363.458	2.335	20	30		FEEDMO
CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000246936887	549246694	/nfs/dbraw/zinc/24/66/94/549246694.db2.gz	SDKMYBFTAYISBP-TZMCWYRMSA-N	1	1	374.510	2.236	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(F)c2)C1	ZINC000489111661	561403578	/nfs/dbraw/zinc/40/35/78/561403578.db2.gz	PPHYLIPMAZBZKP-ZDUSSCGKSA-N	1	1	353.463	2.486	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1ccc(C#N)c(F)c1)[N@@H+](C)Cc1ccccc1	ZINC000489241044	561406384	/nfs/dbraw/zinc/40/63/84/561406384.db2.gz	PHWVCKFSDWJUAN-CQSZACIVSA-N	1	1	361.442	2.496	20	30		FEEDMO
C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(C#N)c(F)c2)C1	ZINC000489296517	561407470	/nfs/dbraw/zinc/40/74/70/561407470.db2.gz	UWOCWWIFJNIJRL-OAHLLOKOSA-N	1	1	359.426	2.379	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)[C@@H](C)C1	ZINC000248995812	549537597	/nfs/dbraw/zinc/53/75/97/549537597.db2.gz	ZOXGQSAYQDGSLO-IRXDYDNUSA-N	1	1	359.470	2.021	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1	ZINC000249186997	549566902	/nfs/dbraw/zinc/56/69/02/549566902.db2.gz	OGNBQLOLHXHUDD-YJBOKZPZSA-N	1	1	359.470	2.379	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1	ZINC000249259424	549572991	/nfs/dbraw/zinc/57/29/91/549572991.db2.gz	GUDHYZXJZMXRBQ-CABCVRRESA-N	1	1	356.388	2.324	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@H]1COc2ccccc2O1	ZINC000249506205	549596889	/nfs/dbraw/zinc/59/68/89/549596889.db2.gz	IFLFMIZICLMENJ-CVEARBPZSA-N	1	1	357.454	2.489	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@H]1COc2ccccc2O1	ZINC000249506205	549596895	/nfs/dbraw/zinc/59/68/95/549596895.db2.gz	IFLFMIZICLMENJ-CVEARBPZSA-N	1	1	357.454	2.489	20	30		FEEDMO
CCC[C@H]1CN([C@H](C)C(=O)Nc2ccccc2C#N)CC[N@H+]1CCOC	ZINC000252799231	549678505	/nfs/dbraw/zinc/67/85/05/549678505.db2.gz	AGZCYDMZUJYUIE-AEFFLSMTSA-N	1	1	358.486	2.318	20	30		FEEDMO
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@H]1CN(C2CC2)C[C@H]1C	ZINC000261955260	549773629	/nfs/dbraw/zinc/77/36/29/549773629.db2.gz	IOXVSBHKDVLEMJ-KOLCDFICSA-N	1	1	361.437	2.310	20	30		FEEDMO
C[NH+]=C(NCc1coc(-c2ccccc2)n1)N[C@H]1CN(C2CC2)C[C@@H]1C	ZINC000262010024	549779494	/nfs/dbraw/zinc/77/94/94/549779494.db2.gz	WJQYZYLBFQEYPU-KSSFIOAISA-N	1	1	353.470	2.489	20	30		FEEDMO
C[NH+]=C(NCCc1nc(C(F)(F)F)cs1)N1CC[C@@H](N2CC=CC2)C1	ZINC000262794531	549850417	/nfs/dbraw/zinc/85/04/17/549850417.db2.gz	OXGWQPZQZBGEFC-GFCCVEGCSA-N	1	1	373.448	2.226	20	30		FEEDMO
C[C@H](c1cccc(NCC(=O)N[C@@](C)(C#N)C2CC2)c1)[NH+]1CCOCC1	ZINC000264407836	549995076	/nfs/dbraw/zinc/99/50/76/549995076.db2.gz	YORPLJGQDJYBGM-QRWLVFNGSA-N	1	1	356.470	2.300	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1OC	ZINC000264463528	549996854	/nfs/dbraw/zinc/99/68/54/549996854.db2.gz	SCOJDYIVAWHBBV-LKUPDRCFSA-N	1	1	373.497	2.025	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)no1	ZINC000266084802	550016680	/nfs/dbraw/zinc/01/66/80/550016680.db2.gz	GURMUEAZKPEJDY-QGZVFWFLSA-N	1	1	353.426	2.127	20	30		FEEDMO
C=CCOc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1OC	ZINC000269281602	550176331	/nfs/dbraw/zinc/17/63/31/550176331.db2.gz	AYHRBTYABLNYMO-QGZVFWFLSA-N	1	1	362.470	2.227	20	30		FEEDMO
N#Cc1csc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1	ZINC000270584424	550286543	/nfs/dbraw/zinc/28/65/43/550286543.db2.gz	DFJXEJGOYLMXBI-DLBZAZTESA-N	1	1	355.463	2.233	20	30		FEEDMO
N#CCc1ccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1	ZINC000270810408	550309244	/nfs/dbraw/zinc/30/92/44/550309244.db2.gz	GYEJJWABDOYKKB-LEWJYISDSA-N	1	1	363.461	2.365	20	30		FEEDMO
CC(=O)N1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC12CCCCC2	ZINC000270944747	550324314	/nfs/dbraw/zinc/32/43/14/550324314.db2.gz	ZHJVHHZTULAITM-IBGZPJMESA-N	1	1	371.481	2.165	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@@H]2C1	ZINC000272620326	550461218	/nfs/dbraw/zinc/46/12/18/550461218.db2.gz	LSHUPPZSWHFXLN-CRAIPNDOSA-N	1	1	354.454	2.220	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC(C)(C#N)CC1	ZINC000272648209	550462858	/nfs/dbraw/zinc/46/28/58/550462858.db2.gz	YTTCFWJOBJTSBA-MRXNPFEDSA-N	1	1	356.470	2.476	20	30		FEEDMO
N#Cc1ccc([C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)C(N)=O)cc1	ZINC000494498855	561470772	/nfs/dbraw/zinc/47/07/72/561470772.db2.gz	XHQVFIJJLHXPKC-FGTMMUONSA-N	1	1	357.360	2.483	20	30		FEEDMO
Cc1ccnc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)c1C#N	ZINC000273283555	550492846	/nfs/dbraw/zinc/49/28/46/550492846.db2.gz	DPUOKLOQIXHOAT-UHFFFAOYSA-N	1	1	351.454	2.386	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000274303965	550531760	/nfs/dbraw/zinc/53/17/60/550531760.db2.gz	KPVLHMIHKMOBAV-KRWDZBQOSA-N	1	1	357.454	2.228	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000274303965	550531762	/nfs/dbraw/zinc/53/17/62/550531762.db2.gz	KPVLHMIHKMOBAV-KRWDZBQOSA-N	1	1	357.454	2.228	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000274303966	550531886	/nfs/dbraw/zinc/53/18/86/550531886.db2.gz	KPVLHMIHKMOBAV-QGZVFWFLSA-N	1	1	357.454	2.228	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000274303966	550531887	/nfs/dbraw/zinc/53/18/87/550531887.db2.gz	KPVLHMIHKMOBAV-QGZVFWFLSA-N	1	1	357.454	2.228	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N[C@@](C)(C#N)C1CC1	ZINC000274838552	550558448	/nfs/dbraw/zinc/55/84/48/550558448.db2.gz	NWUDVWGYZKWGMH-BSIFCXSSSA-N	1	1	354.498	2.295	20	30		FEEDMO
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000274838552	550558449	/nfs/dbraw/zinc/55/84/49/550558449.db2.gz	NWUDVWGYZKWGMH-BSIFCXSSSA-N	1	1	354.498	2.295	20	30		FEEDMO
O=C(NCC[N@H+]1CCCOCC1)Nc1cccc(C#Cc2ccccn2)c1	ZINC000275457318	550572285	/nfs/dbraw/zinc/57/22/85/550572285.db2.gz	AWJGFMNNFIIVGS-UHFFFAOYSA-N	1	1	364.449	2.325	20	30		FEEDMO
C[N@@H+](CCCO)C1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1	ZINC000279455252	550892280	/nfs/dbraw/zinc/89/22/80/550892280.db2.gz	MLCYJGYSOBXREH-UHFFFAOYSA-N	1	1	368.437	2.132	20	30		FEEDMO
N#Cc1ccc(C[C@@H](C#N)C(=O)NCC[N@H+]2CCc3ccccc3C2)cc1	ZINC000279685764	550916768	/nfs/dbraw/zinc/91/67/68/550916768.db2.gz	HIQXODTYJNPSIH-NRFANRHFSA-N	1	1	358.445	2.415	20	30		FEEDMO
C[C@H]1OCC[C@]12C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CCO2	ZINC000279720499	550921068	/nfs/dbraw/zinc/92/10/68/550921068.db2.gz	UPOOXWKXTHCDPV-UZLBHIALSA-N	1	1	367.453	2.239	20	30		FEEDMO
C[C@H]1OCC[C@]12C[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)CCO2	ZINC000279720499	550921069	/nfs/dbraw/zinc/92/10/69/550921069.db2.gz	UPOOXWKXTHCDPV-UZLBHIALSA-N	1	1	367.453	2.239	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO	ZINC000280162929	550966808	/nfs/dbraw/zinc/96/68/08/550966808.db2.gz	IGAYHVBYFKJMJH-VAMGGRTRSA-N	1	1	358.482	2.241	20	30		FEEDMO
CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000281451378	551099242	/nfs/dbraw/zinc/09/92/42/551099242.db2.gz	QPCFCJWDAPHODA-FOIQADDNSA-N	1	1	373.453	2.177	20	30		FEEDMO
CCOC(=O)[C@]1(COC)CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000281451378	551099244	/nfs/dbraw/zinc/09/92/44/551099244.db2.gz	QPCFCJWDAPHODA-FOIQADDNSA-N	1	1	373.453	2.177	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)C2(c3cncc(Br)c3)CC2)CC1	ZINC000281582300	551116405	/nfs/dbraw/zinc/11/64/05/551116405.db2.gz	LDXZAOJVAVITBJ-UHFFFAOYSA-N	1	1	362.271	2.043	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)nc2)[C@@H]1c1ccccc1	ZINC000497388777	561499983	/nfs/dbraw/zinc/49/99/83/561499983.db2.gz	PAQSIXTWUNWNJH-OALUTQOASA-N	1	1	350.422	2.145	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C#N)nc2)[C@@H]1c1ccccc1	ZINC000497388777	561499984	/nfs/dbraw/zinc/49/99/84/561499984.db2.gz	PAQSIXTWUNWNJH-OALUTQOASA-N	1	1	350.422	2.145	20	30		FEEDMO
C=CCn1c(SCCC(=O)N2CC[NH+](C)CC2)nnc1-c1ccccc1	ZINC000282896723	551282986	/nfs/dbraw/zinc/28/29/86/551282986.db2.gz	DTLLGQOPWQMCQG-UHFFFAOYSA-N	1	1	371.510	2.387	20	30		FEEDMO
Cn1c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-]	ZINC000497635809	561505226	/nfs/dbraw/zinc/50/52/26/561505226.db2.gz	DJDFTEDJJLMVBT-UHFFFAOYSA-N	1	1	367.409	2.153	20	30		FEEDMO
Cn1c(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-]	ZINC000497635809	561505227	/nfs/dbraw/zinc/50/52/27/561505227.db2.gz	DJDFTEDJJLMVBT-UHFFFAOYSA-N	1	1	367.409	2.153	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)c2cc(C#N)ccn2)[C@@H](c2ccccc2)C1	ZINC000283733214	551418599	/nfs/dbraw/zinc/41/85/99/551418599.db2.gz	MBBHZARBEXVDEG-HXUWFJFHSA-N	1	1	363.465	2.062	20	30		FEEDMO
CN1CC[N@H+](CCCNC(=O)c2cc(C#N)ccn2)[C@@H](c2ccccc2)C1	ZINC000283733214	551418601	/nfs/dbraw/zinc/41/86/01/551418601.db2.gz	MBBHZARBEXVDEG-HXUWFJFHSA-N	1	1	363.465	2.062	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)c2cc(C#N)ccn2)[C@@H](c2ccccc2)C1	ZINC000283733214	551418603	/nfs/dbraw/zinc/41/86/03/551418603.db2.gz	MBBHZARBEXVDEG-HXUWFJFHSA-N	1	1	363.465	2.062	20	30		FEEDMO
COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000284076530	551479732	/nfs/dbraw/zinc/47/97/32/551479732.db2.gz	UUJGZPVLVWHLQI-GOSISDBHSA-N	1	1	359.451	2.148	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CC1	ZINC000284115882	551486535	/nfs/dbraw/zinc/48/65/35/551486535.db2.gz	CBUHALRRNHLILZ-QGZVFWFLSA-N	1	1	362.495	2.104	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O	ZINC000498322473	561522066	/nfs/dbraw/zinc/52/20/66/561522066.db2.gz	MZFKRHKOEAIANL-WTGUMLROSA-N	1	1	361.482	2.017	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@@H]1O	ZINC000498322473	561522067	/nfs/dbraw/zinc/52/20/67/561522067.db2.gz	MZFKRHKOEAIANL-WTGUMLROSA-N	1	1	361.482	2.017	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(NC(=O)Cc3noc(C)c3C#N)cc2)CC1	ZINC000498530032	561527088	/nfs/dbraw/zinc/52/70/88/561527088.db2.gz	RFKTZMXMSGNYJX-UHFFFAOYSA-N	1	1	367.453	2.173	20	30		FEEDMO
Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NCCCC#N)cn1	ZINC000285110822	551706101	/nfs/dbraw/zinc/70/61/01/551706101.db2.gz	YWAFCNXAKFCDLX-MOPGFXCFSA-N	1	1	351.454	2.056	20	30		FEEDMO
N#CC1(CS(=O)(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1	ZINC000285425846	551754721	/nfs/dbraw/zinc/75/47/21/551754721.db2.gz	WCOMJFVYKLZFGF-LJQANCHMSA-N	1	1	359.495	2.218	20	30		FEEDMO
C[C@@](C#N)(NC(=O)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CC1	ZINC000285679834	551794278	/nfs/dbraw/zinc/79/42/78/551794278.db2.gz	USZLFHIACLNYHB-FCHUYYIVSA-N	1	1	366.509	2.393	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000285780758	551809725	/nfs/dbraw/zinc/80/97/25/551809725.db2.gz	LJJUTHKXBBONTK-IBGZPJMESA-N	1	1	357.498	2.092	20	30		FEEDMO
CCCNC(=O)C[NH+]1CCC(Nc2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000286148553	551854180	/nfs/dbraw/zinc/85/41/80/551854180.db2.gz	NZCWJWCJRYIWHR-UHFFFAOYSA-N	1	1	374.876	2.262	20	30		FEEDMO
CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCCCC#N	ZINC000286774270	551924657	/nfs/dbraw/zinc/92/46/57/551924657.db2.gz	RDNNNRRPMVAHQA-GOSISDBHSA-N	1	1	370.497	2.213	20	30		FEEDMO
N#CCCCCNC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000287249735	551981207	/nfs/dbraw/zinc/98/12/07/551981207.db2.gz	HHSNZIIUQUEIKV-FQEVSTJZSA-N	1	1	369.513	2.282	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(C#N)c1C	ZINC000287285659	551985453	/nfs/dbraw/zinc/98/54/53/551985453.db2.gz	IIWSSZILGWMLBB-HIFRSBDPSA-N	1	1	358.442	2.039	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(C#N)c1C	ZINC000287285659	551985454	/nfs/dbraw/zinc/98/54/54/551985454.db2.gz	IIWSSZILGWMLBB-HIFRSBDPSA-N	1	1	358.442	2.039	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1	ZINC000288731635	552202445	/nfs/dbraw/zinc/20/24/45/552202445.db2.gz	GQFPXFLJHGJIJG-PMACEKPBSA-N	1	1	361.461	2.107	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1	ZINC000288731635	552202449	/nfs/dbraw/zinc/20/24/49/552202449.db2.gz	GQFPXFLJHGJIJG-PMACEKPBSA-N	1	1	361.461	2.107	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289227574	552285529	/nfs/dbraw/zinc/28/55/29/552285529.db2.gz	SZRNUSRDJJAWQM-PKOBYXMFSA-N	1	1	357.498	2.438	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289227568	552285699	/nfs/dbraw/zinc/28/56/99/552285699.db2.gz	SZRNUSRDJJAWQM-HKUYNNGSSA-N	1	1	357.498	2.438	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN([C@@H](C#N)c3ccccc3)CC1)C2	ZINC000289370647	552309496	/nfs/dbraw/zinc/30/94/96/552309496.db2.gz	ARKZBWFXYJVVAI-QUCCMNQESA-N	1	1	363.465	2.163	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cncc(C#N)c1	ZINC000289391558	552313297	/nfs/dbraw/zinc/31/32/97/552313297.db2.gz	DOIVOLHFMNIZIM-KRWDZBQOSA-N	1	1	370.478	2.096	20	30		FEEDMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cncc(C#N)c1	ZINC000289391561	552313435	/nfs/dbraw/zinc/31/34/35/552313435.db2.gz	DOIVOLHFMNIZIM-QGZVFWFLSA-N	1	1	370.478	2.096	20	30		FEEDMO
Cn1cc(CN2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1C#N	ZINC000289681576	552361130	/nfs/dbraw/zinc/36/11/30/552361130.db2.gz	NYSFPISFDORRET-NRFANRHFSA-N	1	1	363.509	2.289	20	30		FEEDMO
CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC000290200469	552441491	/nfs/dbraw/zinc/44/14/91/552441491.db2.gz	SLPSBDWLBRASTE-UHFFFAOYSA-N	1	1	369.469	2.169	20	30		FEEDMO
CN(CCCN(C)C(=O)c1cc(-c2cccc(C#N)c2)no1)CC[NH+](C)C	ZINC000290200469	552441492	/nfs/dbraw/zinc/44/14/92/552441492.db2.gz	SLPSBDWLBRASTE-UHFFFAOYSA-N	1	1	369.469	2.169	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1	ZINC000290246415	552447712	/nfs/dbraw/zinc/44/77/12/552447712.db2.gz	ZRUNRDIDCLREJW-SFHVURJKSA-N	1	1	352.438	2.301	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000290323820	552460154	/nfs/dbraw/zinc/46/01/54/552460154.db2.gz	VXPBJZFHNUWCED-MJBXVCDLSA-N	1	1	360.433	2.118	20	30		FEEDMO
Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000290374055	552469017	/nfs/dbraw/zinc/46/90/17/552469017.db2.gz	KLYZZAMFWFDTGY-UHFFFAOYSA-N	1	1	361.453	2.394	20	30		FEEDMO
Cc1nnc(CCN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])s1	ZINC000290450034	552480937	/nfs/dbraw/zinc/48/09/37/552480937.db2.gz	DMXPIHUJIHMQIP-UHFFFAOYSA-N	1	1	368.466	2.049	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2C#N)CC[N@H+](C2CCC2)C1	ZINC000291618472	552644009	/nfs/dbraw/zinc/64/40/09/552644009.db2.gz	BZXNJUWLUYAKSP-CYBMUJFWSA-N	1	1	351.447	2.192	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1	ZINC000291755214	552658652	/nfs/dbraw/zinc/65/86/52/552658652.db2.gz	KTROCJXKTAIMTF-SFTDATJTSA-N	1	1	357.498	2.358	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1	ZINC000291755214	552658653	/nfs/dbraw/zinc/65/86/53/552658653.db2.gz	KTROCJXKTAIMTF-SFTDATJTSA-N	1	1	357.498	2.358	20	30		FEEDMO
COc1ccc([C@H](O)C2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1	ZINC000291773015	552660209	/nfs/dbraw/zinc/66/02/09/552660209.db2.gz	LUFIHSLTXFVKLB-SFTDATJTSA-N	1	1	373.497	2.495	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1	ZINC000291814583	552664474	/nfs/dbraw/zinc/66/44/74/552664474.db2.gz	NOZRPKIXZIVOJV-WIYYLYMNSA-N	1	1	357.498	2.312	20	30		FEEDMO
COc1ccc(NC(=O)CC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292239405	552707513	/nfs/dbraw/zinc/70/75/13/552707513.db2.gz	QEOSRUHFEUKQBH-SFHVURJKSA-N	1	1	366.421	2.444	20	30		FEEDMO
C[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[N@H+]1CCCC[C@@H]1C	ZINC000501528071	561599692	/nfs/dbraw/zinc/59/96/92/561599692.db2.gz	BFERFHSAGXVXBT-DLBZAZTESA-N	1	1	370.501	2.048	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H](O)CC2)c1C#N	ZINC000293229993	552801337	/nfs/dbraw/zinc/80/13/37/552801337.db2.gz	SENRTWZEEDNDRG-INIZCTEOSA-N	1	1	370.453	2.403	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CCC[C@H](O)CC2)c1C#N	ZINC000293229993	552801338	/nfs/dbraw/zinc/80/13/38/552801338.db2.gz	SENRTWZEEDNDRG-INIZCTEOSA-N	1	1	370.453	2.403	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1sccc1C#N	ZINC000293258195	552804211	/nfs/dbraw/zinc/80/42/11/552804211.db2.gz	BWEJOKWZUXYZHQ-CYBMUJFWSA-N	1	1	356.451	2.195	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)C=C2CCN(C(=O)OC(C)(C)C)CC2)CC1	ZINC000293527242	552832410	/nfs/dbraw/zinc/83/24/10/552832410.db2.gz	WNQABVMGIBSMOY-UHFFFAOYSA-N	1	1	361.486	2.111	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C2)C1	ZINC000293616022	552840564	/nfs/dbraw/zinc/84/05/64/552840564.db2.gz	DCEQNRRDHQTCTK-HXUWFJFHSA-N	1	1	354.454	2.221	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)cc1	ZINC000293943932	552869735	/nfs/dbraw/zinc/86/97/35/552869735.db2.gz	OMZKYGOHBVTIHH-UHFFFAOYSA-N	1	1	372.494	2.316	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)cc1	ZINC000293943932	552869737	/nfs/dbraw/zinc/86/97/37/552869737.db2.gz	OMZKYGOHBVTIHH-UHFFFAOYSA-N	1	1	372.494	2.316	20	30		FEEDMO
CC(C)(CCC#N)CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1	ZINC000501859347	561606964	/nfs/dbraw/zinc/60/69/64/561606964.db2.gz	WYWCTCWSYXJKSU-SFHVURJKSA-N	1	1	358.486	2.382	20	30		FEEDMO
C#CC[NH+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000296557158	553179049	/nfs/dbraw/zinc/17/90/49/553179049.db2.gz	GFDXENQWOMKQKR-SEJPIABJSA-N	1	1	368.525	2.436	20	30		FEEDMO
C#CC[NH+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000296557158	553179051	/nfs/dbraw/zinc/17/90/51/553179051.db2.gz	GFDXENQWOMKQKR-SEJPIABJSA-N	1	1	368.525	2.436	20	30		FEEDMO
N#Cc1cc(Br)cnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1	ZINC000296808024	553214405	/nfs/dbraw/zinc/21/44/05/553214405.db2.gz	PYHWCNCYJNAWFS-ZDUSSCGKSA-N	1	1	365.275	2.264	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000296993221	553239565	/nfs/dbraw/zinc/23/95/65/553239565.db2.gz	SSKBXEGRMTXDRC-UHFFFAOYSA-N	1	1	354.454	2.066	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000297783513	553338251	/nfs/dbraw/zinc/33/82/51/553338251.db2.gz	HZKAHHOQAWXRBH-IBGZPJMESA-N	1	1	357.498	2.392	20	30		FEEDMO
CCCNC(=O)CCC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000298031318	553374215	/nfs/dbraw/zinc/37/42/15/553374215.db2.gz	BSXBZBGZYXUWRS-UHFFFAOYSA-N	1	1	371.441	2.235	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)NCCSCc1ccccc1C#N	ZINC000298592584	553446047	/nfs/dbraw/zinc/44/60/47/553446047.db2.gz	XNBAABKJIZMIMK-UHFFFAOYSA-N	1	1	364.515	2.059	20	30		FEEDMO
N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)cc1	ZINC000298629575	553451458	/nfs/dbraw/zinc/45/14/58/553451458.db2.gz	VSMPQSWFKGMMOR-OAQYLSRUSA-N	1	1	360.417	2.399	20	30		FEEDMO
N#C[C@H](C(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1)c1nc2ccccc2c(=O)[nH]1	ZINC000298766837	553470393	/nfs/dbraw/zinc/47/03/93/553470393.db2.gz	RRAUJOHEVAWJHL-XJKSGUPXSA-N	1	1	366.421	2.013	20	30		FEEDMO
N#C[C@H](C(=O)C[N@@H+](C[C@@H]1CCOC1)C1CC1)c1nc2ccccc2c(=O)[nH]1	ZINC000298766837	553470395	/nfs/dbraw/zinc/47/03/95/553470395.db2.gz	RRAUJOHEVAWJHL-XJKSGUPXSA-N	1	1	366.421	2.013	20	30		FEEDMO
Cc1ncc(CO)c(/C=N/c2ccc(CC[NH+]3CCOCC3)cc2)c1O	ZINC000298785313	553472624	/nfs/dbraw/zinc/47/26/24/553472624.db2.gz	PTGIGIJZECUVHG-LPYMAVHISA-N	1	1	355.438	2.213	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000298796212	553474203	/nfs/dbraw/zinc/47/42/03/553474203.db2.gz	LSWOVGJBGNKUNZ-IAGOWNOFSA-N	1	1	357.454	2.434	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000298796212	553474204	/nfs/dbraw/zinc/47/42/04/553474204.db2.gz	LSWOVGJBGNKUNZ-IAGOWNOFSA-N	1	1	357.454	2.434	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1	ZINC000299179178	553525875	/nfs/dbraw/zinc/52/58/75/553525875.db2.gz	PJTBQWIRTMGHAI-IBGZPJMESA-N	1	1	357.498	2.044	20	30		FEEDMO
C#CCNC(=O)c1ccc(NC[C@H](C)[N@H+]2CCc3sccc3C2)nc1	ZINC000301225738	553632924	/nfs/dbraw/zinc/63/29/24/553632924.db2.gz	GDRGIHLJLZAHPN-AWEZNQCLSA-N	1	1	354.479	2.365	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(S(N)(=O)=O)cc2C#N)C1	ZINC000301362543	553645770	/nfs/dbraw/zinc/64/57/70/553645770.db2.gz	MJPHYVPIBOHUHR-GASCZTMLSA-N	1	1	364.515	2.376	20	30		FEEDMO
N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000301576482	553662681	/nfs/dbraw/zinc/66/26/81/553662681.db2.gz	YUMQZQGZMKFDHU-ZIAGYGMSSA-N	1	1	354.376	2.398	20	30		FEEDMO
N#Cc1ccc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c(C(F)(F)F)c1	ZINC000301971374	553695243	/nfs/dbraw/zinc/69/52/43/553695243.db2.gz	SFBFNFYGARREPF-MRXNPFEDSA-N	1	1	366.387	2.496	20	30		FEEDMO
CCN1CCC([N@@H+]2CCCN(C(=O)Nc3cc(C)c(C#N)cn3)CC2)CC1	ZINC000603129886	553713451	/nfs/dbraw/zinc/71/34/51/553713451.db2.gz	ALUHJRHQFKLYMW-UHFFFAOYSA-N	1	1	370.501	2.286	20	30		FEEDMO
CCN1CCC([N@H+]2CCCN(C(=O)Nc3cc(C)c(C#N)cn3)CC2)CC1	ZINC000603129886	553713452	/nfs/dbraw/zinc/71/34/52/553713452.db2.gz	ALUHJRHQFKLYMW-UHFFFAOYSA-N	1	1	370.501	2.286	20	30		FEEDMO
C[C@H]1[C@H](NS(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000310823173	553754204	/nfs/dbraw/zinc/75/42/04/553754204.db2.gz	XMMNJRXZQIFNGI-HNAYVOBHSA-N	1	1	355.463	2.500	20	30		FEEDMO
N#Cc1cncc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1	ZINC000312038695	553755974	/nfs/dbraw/zinc/75/59/74/553755974.db2.gz	UWAWPQPCLAVXPA-KRWDZBQOSA-N	1	1	370.478	2.144	20	30		FEEDMO
C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000326684139	553782746	/nfs/dbraw/zinc/78/27/46/553782746.db2.gz	IGDIEFURGZFPLI-WBVHZDCISA-N	1	1	350.484	2.347	20	30		FEEDMO
C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000326684139	553782748	/nfs/dbraw/zinc/78/27/48/553782748.db2.gz	IGDIEFURGZFPLI-WBVHZDCISA-N	1	1	350.484	2.347	20	30		FEEDMO
CC(C)Oc1ncccc1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000327002913	553785347	/nfs/dbraw/zinc/78/53/47/553785347.db2.gz	BUDUVROBIXCLTR-UHFFFAOYSA-N	1	1	359.451	2.304	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](Cn2ccnn2)C1	ZINC000328653568	553802520	/nfs/dbraw/zinc/80/25/20/553802520.db2.gz	CFZBXIJQMCNSKX-QZTJIDSGSA-N	1	1	362.522	2.415	20	30		FEEDMO
C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCOC[C@H](C)C1	ZINC000328703026	553809820	/nfs/dbraw/zinc/80/98/20/553809820.db2.gz	XPQQMXJBNCZPPW-CHWSQXEVSA-N	1	1	363.414	2.317	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@H]2CCCC23CCOCC3)CC[N@H+]1CC(C)(C)O	ZINC000328735976	553814387	/nfs/dbraw/zinc/81/43/87/553814387.db2.gz	ZHQREDQMFMZUQA-CVEARBPZSA-N	1	1	353.507	2.027	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@H]1C1CCCCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000328764345	553818795	/nfs/dbraw/zinc/81/87/95/553818795.db2.gz	OSEIGGKYEWKZEY-LSDHHAIUSA-N	1	1	371.503	2.089	20	30		FEEDMO
CC[C@@H]1CN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CCO1	ZINC000328796983	553823518	/nfs/dbraw/zinc/82/35/18/553823518.db2.gz	VJPSYUVNXNMQPL-SJORKVTESA-N	1	1	362.474	2.495	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2CCO[C@H]2c2nccn2C)C[C@@H](C)O1	ZINC000328961116	553853866	/nfs/dbraw/zinc/85/38/66/553853866.db2.gz	PXCPSVUCHFOEBO-KLHDSHLOSA-N	1	1	364.490	2.342	20	30		FEEDMO
CC(C)Oc1cccc(CNC(=O)CN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1	ZINC000329009921	553864098	/nfs/dbraw/zinc/86/40/98/553864098.db2.gz	HSTXLEYGEKSWQA-RTBURBONSA-N	1	1	361.486	2.335	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1COc2cc(OC)ccc2C1	ZINC000329015126	553865101	/nfs/dbraw/zinc/86/51/01/553865101.db2.gz	PZSAIURKDUPOEC-BBWFWOEESA-N	1	1	359.470	2.471	20	30		FEEDMO
COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000329126022	553884525	/nfs/dbraw/zinc/88/45/25/553884525.db2.gz	YITHVEKVCYIBOS-RDJZCZTQSA-N	1	1	366.483	2.223	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)C1	ZINC000329150923	553889414	/nfs/dbraw/zinc/88/94/14/553889414.db2.gz	ZUNYJLVVBZADOC-PMPSAXMXSA-N	1	1	363.506	2.264	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](Cc2ccc(OC)c3ccccc23)CC1	ZINC000506297605	561694972	/nfs/dbraw/zinc/69/49/72/561694972.db2.gz	LSBVPGWIPKLWSQ-UHFFFAOYSA-N	1	1	353.466	2.268	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](Cc2cc(C)c(OC(F)F)c(C)c2)CC1	ZINC000506297755	561695074	/nfs/dbraw/zinc/69/50/74/561695074.db2.gz	MPUKKBXDTKRAQP-UHFFFAOYSA-N	1	1	367.440	2.325	20	30		FEEDMO
CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1=O	ZINC000329205662	553902151	/nfs/dbraw/zinc/90/21/51/553902151.db2.gz	XWUJVLJFJFXQMZ-OIISXLGYSA-N	1	1	357.454	2.247	20	30		FEEDMO
C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cc(F)c(F)cc1N1CCOCC1	ZINC000329217815	553904674	/nfs/dbraw/zinc/90/46/74/553904674.db2.gz	QVWNNLMEOOHSBX-CYBMUJFWSA-N	1	1	369.412	2.358	20	30		FEEDMO
C[C@H]1CCCC[N@@H+]1CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C	ZINC000329218398	553904987	/nfs/dbraw/zinc/90/49/87/553904987.db2.gz	RRZDBGRYLUJIQM-OOKSDGMUSA-N	1	1	364.534	2.291	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C	ZINC000329218398	553904990	/nfs/dbraw/zinc/90/49/90/553904990.db2.gz	RRZDBGRYLUJIQM-OOKSDGMUSA-N	1	1	364.534	2.291	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CCN1CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1	ZINC000329221509	553905382	/nfs/dbraw/zinc/90/53/82/553905382.db2.gz	UXOMIJLUBCCHTH-MRXNPFEDSA-N	1	1	358.486	2.015	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCOC[C@@H]1[C@@H]1CCCO1	ZINC000329236821	553908065	/nfs/dbraw/zinc/90/80/65/553908065.db2.gz	OODUEXQESSQVQJ-RZFLPCETSA-N	1	1	353.507	2.147	20	30		FEEDMO
Cc1c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)sc2nccc(C)c12	ZINC000329312003	553923394	/nfs/dbraw/zinc/92/33/94/553923394.db2.gz	RFVOKDXYPHPLHP-UHFFFAOYSA-N	1	1	360.483	2.382	20	30		FEEDMO
C[C@H](C(=O)NC1CC1)N1CC[NH+](CCc2nc3ccccc3n2C)CC1	ZINC000329349434	553929875	/nfs/dbraw/zinc/92/98/75/553929875.db2.gz	SQPVNESBYDDJLO-OAHLLOKOSA-N	1	1	355.486	2.241	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(O)(C(F)(F)F)CC1	ZINC000329353433	553930697	/nfs/dbraw/zinc/93/06/97/553930697.db2.gz	FCIZZLXMJVNLGM-CYBMUJFWSA-N	1	1	351.413	2.410	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)NCc1cnn(-c2ccccc2)c1	ZINC000329373295	553934150	/nfs/dbraw/zinc/93/41/50/553934150.db2.gz	JVHSJEHFJVYONE-APWZRJJASA-N	1	1	353.470	2.497	20	30		FEEDMO
C[C@@H]1C[C@@H](C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC(=O)N1	ZINC000329400750	553939490	/nfs/dbraw/zinc/93/94/90/553939490.db2.gz	BEHRFXZNOFUGLQ-RHSMWYFYSA-N	1	1	372.469	2.286	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC1(C)C	ZINC000329481131	553954931	/nfs/dbraw/zinc/95/49/31/553954931.db2.gz	PLCMHRRAGWJSCV-GDBMZVCRSA-N	1	1	367.538	2.050	20	30		FEEDMO
CCn1ccnc1[C@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1	ZINC000329485067	553956101	/nfs/dbraw/zinc/95/61/01/553956101.db2.gz	FUSCRJGHJGSKFP-IAGOWNOFSA-N	1	1	361.490	2.065	20	30		FEEDMO
Cn1ccnc1C[NH+]1CCC(C(=O)Nc2nc3cccnc3n2C)CC1	ZINC000329506957	553959343	/nfs/dbraw/zinc/95/93/43/553959343.db2.gz	LPZWBMUNLJTLLZ-UHFFFAOYSA-N	1	1	353.430	2.202	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000329512870	553959987	/nfs/dbraw/zinc/95/99/87/553959987.db2.gz	XVTNJQOFXALCPB-XNIJUTNWSA-N	1	1	367.534	2.129	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)NCC[N@@H+]1CC=CCC1)c1ccccc1	ZINC000506765113	561708069	/nfs/dbraw/zinc/70/80/69/561708069.db2.gz	DKWJGCDAJJOCKU-UHFFFAOYSA-N	1	1	354.454	2.092	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)Nc1ccc2c(c1)OCO2	ZINC000329733919	553997206	/nfs/dbraw/zinc/99/72/06/553997206.db2.gz	RBJIFIXQSVCKMX-CQSZACIVSA-N	1	1	359.426	2.338	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)Nc1ccc2c(c1)OCO2	ZINC000329733919	553997208	/nfs/dbraw/zinc/99/72/08/553997208.db2.gz	RBJIFIXQSVCKMX-CQSZACIVSA-N	1	1	359.426	2.338	20	30		FEEDMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CC1	ZINC000329793586	554006806	/nfs/dbraw/zinc/00/68/06/554006806.db2.gz	BEQUHSBTDYDWID-ZMSDIMECSA-N	1	1	350.507	2.011	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1	ZINC000329812021	554010325	/nfs/dbraw/zinc/01/03/25/554010325.db2.gz	CXMJWDUIZZIJCB-UONOGXRCSA-N	1	1	373.457	2.234	20	30		FEEDMO
C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2csc(-c3ccccn3)n2)C[C@@H]1C	ZINC000329814520	554010764	/nfs/dbraw/zinc/01/07/64/554010764.db2.gz	DTRHMMXSZYKDLW-STQMWFEESA-N	1	1	361.471	2.138	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2csc(-c3ccccn3)n2)C[C@@H]1C	ZINC000329814520	554010767	/nfs/dbraw/zinc/01/07/67/554010767.db2.gz	DTRHMMXSZYKDLW-STQMWFEESA-N	1	1	361.471	2.138	20	30		FEEDMO
C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000329835371	554015153	/nfs/dbraw/zinc/01/51/53/554015153.db2.gz	HJEWQOZJKWZJAD-RNIPGJKVSA-N	1	1	361.486	2.208	20	30		FEEDMO
C=CCOCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2	ZINC000507232464	561722028	/nfs/dbraw/zinc/72/20/28/561722028.db2.gz	GVSBHDLMTFEMBY-LJQANCHMSA-N	1	1	358.482	2.234	20	30		FEEDMO
CCN1C(=O)CC[C@H](C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[C@H]1c1cnn(C)c1	ZINC000329885219	554024788	/nfs/dbraw/zinc/02/47/88/554024788.db2.gz	UHBUWNJHKAAYMT-OIWLHUINSA-N	1	1	373.501	2.301	20	30		FEEDMO
O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@H]1CCOC2(CCSCC2)C1	ZINC000329905695	554028912	/nfs/dbraw/zinc/02/89/12/554028912.db2.gz	RRZSXOJLSIBPAU-GJZGRUSLSA-N	1	1	364.515	2.394	20	30		FEEDMO
[O-]C(=[NH+][C@H]1CCn2ccnc2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329958400	554039276	/nfs/dbraw/zinc/03/92/76/554039276.db2.gz	QPFRIQKLENJAPX-OTWHNJEPSA-N	1	1	365.481	2.176	20	30		FEEDMO
O=C(N[C@H]1CCn2ccnc2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329958400	554039279	/nfs/dbraw/zinc/03/92/79/554039279.db2.gz	QPFRIQKLENJAPX-OTWHNJEPSA-N	1	1	365.481	2.176	20	30		FEEDMO
O=C(N[C@H]1CCn2ccnc2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000329958400	554039283	/nfs/dbraw/zinc/03/92/83/554039283.db2.gz	QPFRIQKLENJAPX-OTWHNJEPSA-N	1	1	365.481	2.176	20	30		FEEDMO
Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1	ZINC000329958374	554039366	/nfs/dbraw/zinc/03/93/66/554039366.db2.gz	QOIVHOLKYRJIRF-XIRDDKMYSA-N	1	1	350.438	2.479	20	30		FEEDMO
C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H](C2CC2)O1	ZINC000329969976	554040937	/nfs/dbraw/zinc/04/09/37/554040937.db2.gz	XRPQEESWCFUABL-SJLPKXTDSA-N	1	1	365.518	2.435	20	30		FEEDMO
CC[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)[N@@H+]1CCc2ccccc2C1	ZINC000507426234	561729071	/nfs/dbraw/zinc/72/90/71/561729071.db2.gz	DHMLELPGERYNKO-GOSISDBHSA-N	1	1	370.478	2.068	20	30		FEEDMO
CC[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)[N@H+]1CCc2ccccc2C1	ZINC000507426234	561729073	/nfs/dbraw/zinc/72/90/73/561729073.db2.gz	DHMLELPGERYNKO-GOSISDBHSA-N	1	1	370.478	2.068	20	30		FEEDMO
CCN1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1ncc[nH]1	ZINC000329999610	554046782	/nfs/dbraw/zinc/04/67/82/554046782.db2.gz	VAJYDPQYILYLCY-SJORKVTESA-N	1	1	362.522	2.123	20	30		FEEDMO
O=C(Cn1cc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cn1)NC1CCCC1	ZINC000330033251	554052626	/nfs/dbraw/zinc/05/26/26/554052626.db2.gz	VJQLXEPLMVHPSR-KRWDZBQOSA-N	1	1	374.489	2.498	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)C(=O)C2CCC(NC(=O)C3CC3)CC2)C[C@H](C)O1	ZINC000330042093	554053388	/nfs/dbraw/zinc/05/33/88/554053388.db2.gz	BYWDDQZRLLXXQD-BXXOZEPKSA-N	1	1	365.518	2.479	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)C(=O)C2CCC(NC(=O)C3CC3)CC2)C[C@H](C)O1	ZINC000330042093	554053391	/nfs/dbraw/zinc/05/33/91/554053391.db2.gz	BYWDDQZRLLXXQD-BXXOZEPKSA-N	1	1	365.518	2.479	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cn([C@H]2CCOC2)nn1	ZINC000330074153	554060287	/nfs/dbraw/zinc/06/02/87/554060287.db2.gz	CRVBLWYFESLLBF-PVAVHDDUSA-N	1	1	355.442	2.065	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N1CCOC[C@@H](C2CCC2)C1)[NH+]1CCOCC1	ZINC000330185218	554080637	/nfs/dbraw/zinc/08/06/37/554080637.db2.gz	RENUXWHVOUEMSJ-ROUUACIJSA-N	1	1	353.507	2.006	20	30		FEEDMO
CC(C)[C@H]1OCC[C@H]1CNC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000330209129	554085635	/nfs/dbraw/zinc/08/56/35/554085635.db2.gz	HGXGAINKQFSAEM-VVLHAWIVSA-N	1	1	355.523	2.439	20	30		FEEDMO
CC(C)[C@H]1OCC[C@H]1CNC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000330209129	554085634	/nfs/dbraw/zinc/08/56/34/554085634.db2.gz	HGXGAINKQFSAEM-VVLHAWIVSA-N	1	1	355.523	2.439	20	30		FEEDMO
CC(C)[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CCO1	ZINC000330228386	554089221	/nfs/dbraw/zinc/08/92/21/554089221.db2.gz	PQBAPOUSGJWXQS-RYRKJORJSA-N	1	1	353.507	2.289	20	30		FEEDMO
O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@H]1CCC[N@H+]1C1CC1	ZINC000330242066	554091651	/nfs/dbraw/zinc/09/16/51/554091651.db2.gz	FZKNQYFRFUZWGZ-QGZVFWFLSA-N	1	1	363.483	2.136	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1	ZINC000330410924	554118254	/nfs/dbraw/zinc/11/82/54/554118254.db2.gz	JXIVLEKXBQZSTR-WBVHZDCISA-N	1	1	356.536	2.099	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1	ZINC000330410921	554118285	/nfs/dbraw/zinc/11/82/85/554118285.db2.gz	JXIVLEKXBQZSTR-DOTOQJQBSA-N	1	1	356.536	2.099	20	30		FEEDMO
CO[C@H](C)c1nc(C)c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)s1	ZINC000330419079	554119308	/nfs/dbraw/zinc/11/93/08/554119308.db2.gz	PEUSWWGSVFNBKA-CYBMUJFWSA-N	1	1	354.520	2.490	20	30		FEEDMO
CCN([C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)N(C)CCC#N	ZINC000330486404	554128008	/nfs/dbraw/zinc/12/80/08/554128008.db2.gz	DWCYZPOLLTUUDI-SJLPKXTDSA-N	1	1	364.515	2.234	20	30		FEEDMO
CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1	ZINC000330518143	554132688	/nfs/dbraw/zinc/13/26/88/554132688.db2.gz	GRZOLHMIJTWUPF-HUUCEWRRSA-N	1	1	362.474	2.276	20	30		FEEDMO
C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](COCC(=O)N(C)C)OC(C)(C)C1	ZINC000330541248	554135421	/nfs/dbraw/zinc/13/54/21/554135421.db2.gz	SKCGLNYPJSJBGL-CRAIPNDOSA-N	1	1	359.470	2.203	20	30		FEEDMO
COC(=O)c1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc(C)c1C	ZINC000330714422	554161841	/nfs/dbraw/zinc/16/18/41/554161841.db2.gz	XJRFMFSVDPDRFO-UONOGXRCSA-N	1	1	363.458	2.022	20	30		FEEDMO
CO[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)c1ccc(Cl)cc1	ZINC000330844533	554178351	/nfs/dbraw/zinc/17/83/51/554178351.db2.gz	LANGLXQCUNRLJP-GRDNDAEWSA-N	1	1	369.893	2.328	20	30		FEEDMO
CCN(CC)C(=O)[C@@H]1CCCN1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000330933915	554191417	/nfs/dbraw/zinc/19/14/17/554191417.db2.gz	GAUIZCZGCPVNPM-ZACQAIPSSA-N	1	1	352.523	2.354	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCN(S(C)(=O)=O)CC1	ZINC000330957636	554194082	/nfs/dbraw/zinc/19/40/82/554194082.db2.gz	NVMYUALAMLXZSP-UHFFFAOYSA-N	1	1	373.425	2.015	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000330992474	554198355	/nfs/dbraw/zinc/19/83/55/554198355.db2.gz	STSWRJUMNSCBQT-TXEJJXNPSA-N	1	1	354.382	2.320	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1	ZINC000330992474	554198358	/nfs/dbraw/zinc/19/83/58/554198358.db2.gz	STSWRJUMNSCBQT-TXEJJXNPSA-N	1	1	354.382	2.320	20	30		FEEDMO
CC[C@@H](C)n1ncc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)c1C	ZINC000331132716	554218832	/nfs/dbraw/zinc/21/88/32/554218832.db2.gz	PHPTZCAYSAVYFP-IIAWOOMASA-N	1	1	351.495	2.485	20	30		FEEDMO
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCC([N@@H+](C)CCO)CC1	ZINC000331192306	554228802	/nfs/dbraw/zinc/22/88/02/554228802.db2.gz	XFTBTPHGGWADGR-AWEZNQCLSA-N	1	1	365.522	2.310	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cccnc2C#N)C1	ZINC000331194667	554228837	/nfs/dbraw/zinc/22/88/37/554228837.db2.gz	WOEUADDLHVAALE-CQSZACIVSA-N	1	1	350.488	2.132	20	30		FEEDMO
CC(C)COc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cn1	ZINC000331202918	554230235	/nfs/dbraw/zinc/23/02/35/554230235.db2.gz	XRJSCKFAKKURJZ-LSDHHAIUSA-N	1	1	350.463	2.049	20	30		FEEDMO
CC(C)N(C)c1ccccc1CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1	ZINC000331336769	554248247	/nfs/dbraw/zinc/24/82/47/554248247.db2.gz	YVMMOBSHJZPULM-SJORKVTESA-N	1	1	362.518	2.332	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(C#N)[nH]2)[C@@H]1c1cnn(C)c1	ZINC000331468922	554269746	/nfs/dbraw/zinc/26/97/46/554269746.db2.gz	OJVHKSYEHKNYAL-KBXCAEBGSA-N	1	1	354.458	2.165	20	30		FEEDMO
COC(=O)[C@]1(C)C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C	ZINC000331477177	554271765	/nfs/dbraw/zinc/27/17/65/554271765.db2.gz	PQDRVLBOYLEOGR-WIBUTAKZSA-N	1	1	355.438	2.185	20	30		FEEDMO
CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)C2(C#N)CCCC2)cc[nH+]1	ZINC000331484379	554272960	/nfs/dbraw/zinc/27/29/60/554272960.db2.gz	IJUHGBWIBXLBBW-GJZGRUSLSA-N	1	1	374.464	2.002	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(C#N)c(C)c3)CC2)c1	ZINC000332363234	554432339	/nfs/dbraw/zinc/43/23/39/554432339.db2.gz	JYQHXUJQEJQLFL-UHFFFAOYSA-N	1	1	356.451	2.081	20	30		FEEDMO
CCn1cc(C[N@@H+]2CCCN(C(=O)Cc3c(F)cccc3C#N)CC2)cn1	ZINC000510338556	561832077	/nfs/dbraw/zinc/83/20/77/561832077.db2.gz	QYJVVSSCNXZDTA-UHFFFAOYSA-N	1	1	369.444	2.191	20	30		FEEDMO
CCn1cc(C[N@H+]2CCCN(C(=O)Cc3c(F)cccc3C#N)CC2)cn1	ZINC000510338556	561832078	/nfs/dbraw/zinc/83/20/78/561832078.db2.gz	QYJVVSSCNXZDTA-UHFFFAOYSA-N	1	1	369.444	2.191	20	30		FEEDMO
C[C@@H]1CCN(C(=O)Nc2nn(C)cc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000610561657	554528764	/nfs/dbraw/zinc/52/87/64/554528764.db2.gz	AQMUHURDVVHUBF-OAHLLOKOSA-N	1	1	352.442	2.420	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)[nH]1	ZINC000610564024	554529859	/nfs/dbraw/zinc/52/98/59/554529859.db2.gz	CKGUQAYPBWGMJB-UHFFFAOYSA-N	1	1	362.384	2.166	20	30		FEEDMO
CC[C@@H](CNC(=O)N=c1[nH]n(C)cc1C#N)[N@H+]1CCc2ccccc2C1	ZINC000610564646	554530001	/nfs/dbraw/zinc/53/00/01/554530001.db2.gz	SRQWFIZJUDIYKG-KRWDZBQOSA-N	1	1	352.442	2.250	20	30		FEEDMO
CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N=c1[nH]n(C)cc1C#N	ZINC000611303325	554624097	/nfs/dbraw/zinc/62/40/97/554624097.db2.gz	RDELHAHMNSDPDT-UHFFFAOYSA-N	1	1	367.457	2.457	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)NCC#Cc1cccc(F)c1)[NH+]1CCOCC1	ZINC000510885277	561849439	/nfs/dbraw/zinc/84/94/39/561849439.db2.gz	XPMLSWXPMBIVTM-LJQANCHMSA-N	1	1	361.461	2.223	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000334078394	554675599	/nfs/dbraw/zinc/67/55/99/554675599.db2.gz	KOQGAPPHDBQADK-JFRXWTBNSA-N	1	1	365.518	2.251	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N(C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1=O	ZINC000348608151	554691591	/nfs/dbraw/zinc/69/15/91/554691591.db2.gz	ZWEUMDPFOUUBEM-QZTJIDSGSA-N	1	1	357.454	2.020	20	30		FEEDMO
C=CCc1cc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc(OC)c1OC	ZINC000363102124	555030604	/nfs/dbraw/zinc/03/06/04/555030604.db2.gz	ZGSCCNSPZBEKGY-SJORKVTESA-N	1	1	360.454	2.025	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@@H]3CC[N@H+](C)C[C@@H]3C)C2)n1	ZINC000363114223	555033745	/nfs/dbraw/zinc/03/37/45/555033745.db2.gz	PFBMREZESMNUGS-ZYSHUDEJSA-N	1	1	369.513	2.277	20	30		FEEDMO
N#Cc1ccccc1N1CCC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1	ZINC000363187258	555048899	/nfs/dbraw/zinc/04/88/99/555048899.db2.gz	JKYRNLGCDCGTKM-GBESFXJTSA-N	1	1	367.497	2.453	20	30		FEEDMO
C=CCNC(=O)c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)nc1	ZINC000363584799	555141805	/nfs/dbraw/zinc/14/18/05/555141805.db2.gz	CMMVXQHXPMUREO-KBAYOESNSA-N	1	1	358.486	2.299	20	30		FEEDMO
C=CCN(C[C@@H](O)COC1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363629735	555150289	/nfs/dbraw/zinc/15/02/89/555150289.db2.gz	FIKCLUSUWCPZEL-NHCUHLMSSA-N	1	1	374.525	2.305	20	30		FEEDMO
C=CC[N@@H+](C[C@@H](O)COC1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000363629735	555150292	/nfs/dbraw/zinc/15/02/92/555150292.db2.gz	FIKCLUSUWCPZEL-NHCUHLMSSA-N	1	1	374.525	2.305	20	30		FEEDMO
C=CC[N@H+](C[C@@H](O)COC1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000363629735	555150296	/nfs/dbraw/zinc/15/02/96/555150296.db2.gz	FIKCLUSUWCPZEL-NHCUHLMSSA-N	1	1	374.525	2.305	20	30		FEEDMO
C=CCN(C[C@H](O)COC1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363629736	555150671	/nfs/dbraw/zinc/15/06/71/555150671.db2.gz	FIKCLUSUWCPZEL-RTWAWAEBSA-N	1	1	374.525	2.305	20	30		FEEDMO
C=CC[N@@H+](C[C@H](O)COC1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000363629736	555150673	/nfs/dbraw/zinc/15/06/73/555150673.db2.gz	FIKCLUSUWCPZEL-RTWAWAEBSA-N	1	1	374.525	2.305	20	30		FEEDMO
C=CC[N@H+](C[C@H](O)COC1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1	ZINC000363629736	555150675	/nfs/dbraw/zinc/15/06/75/555150675.db2.gz	FIKCLUSUWCPZEL-RTWAWAEBSA-N	1	1	374.525	2.305	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000363871000	555203167	/nfs/dbraw/zinc/20/31/67/555203167.db2.gz	YYOGLUWFZBVQIR-ZWKOTPCHSA-N	1	1	352.523	2.196	20	30		FEEDMO
COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3cn4ccccc4c3C#N)C2)nn1	ZINC000364007700	555232318	/nfs/dbraw/zinc/23/23/18/555232318.db2.gz	WZVGILMHBVMLSI-OAHLLOKOSA-N	1	1	364.409	2.026	20	30		FEEDMO
COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cn4ccccc4c3C#N)C2)nn1	ZINC000364007700	555232319	/nfs/dbraw/zinc/23/23/19/555232319.db2.gz	WZVGILMHBVMLSI-OAHLLOKOSA-N	1	1	364.409	2.026	20	30		FEEDMO
CC[C@H]1CN(C(=O)c2cccc(SCC#N)c2)C[C@H]1[NH+]1CCOCC1	ZINC000364184708	555265352	/nfs/dbraw/zinc/26/53/52/555265352.db2.gz	TWUCJSBTZNRCPQ-MAUKXSAKSA-N	1	1	359.495	2.485	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccccc1OCC#N	ZINC000364567252	555340374	/nfs/dbraw/zinc/34/03/74/555340374.db2.gz	ZDODKZJDXZUHIH-SOLBZPMBSA-N	1	1	357.454	2.208	20	30		FEEDMO
C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1ccc(C#N)cc1F	ZINC000512635656	561910722	/nfs/dbraw/zinc/91/07/22/561910722.db2.gz	HTDYDAWUNFHDHU-YPMHNXCESA-N	1	1	368.455	2.244	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CCN(C)C2=O)CC1	ZINC000365489028	555588875	/nfs/dbraw/zinc/58/88/75/555588875.db2.gz	YOUAWMDSVUDFOS-CYBMUJFWSA-N	1	1	374.872	2.483	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000366672954	555905012	/nfs/dbraw/zinc/90/50/12/555905012.db2.gz	LXKYESQBIDWDOU-KBXCAEBGSA-N	1	1	355.442	2.348	20	30		FEEDMO
C[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CCN(Cc2ccncc2)CC1	ZINC000367102889	556001053	/nfs/dbraw/zinc/00/10/53/556001053.db2.gz	JTTNIJSTPYQSPG-UHFFFAOYSA-N	1	1	369.513	2.320	20	30		FEEDMO
C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CCN(Cc2ccncc2)CC1	ZINC000367102889	556001056	/nfs/dbraw/zinc/00/10/56/556001056.db2.gz	JTTNIJSTPYQSPG-UHFFFAOYSA-N	1	1	369.513	2.320	20	30		FEEDMO
C=CCOCCCC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000367434557	556048002	/nfs/dbraw/zinc/04/80/02/556048002.db2.gz	IQXDNIDAJUKQTC-NRFANRHFSA-N	1	1	371.525	2.388	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)CCCCC1	ZINC000367531556	556075287	/nfs/dbraw/zinc/07/52/87/556075287.db2.gz	QSAIDEJMYMGGEP-MOPGFXCFSA-N	1	1	355.482	2.427	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)CCCCC1	ZINC000367531556	556075290	/nfs/dbraw/zinc/07/52/90/556075290.db2.gz	QSAIDEJMYMGGEP-MOPGFXCFSA-N	1	1	355.482	2.427	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@]2(C#N)CCc3ccccc3C2)C1	ZINC000367569721	556085827	/nfs/dbraw/zinc/08/58/27/556085827.db2.gz	KHOVIGZFQAGSLS-PZJWPPBQSA-N	1	1	355.482	2.158	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[N@H+](C4CC4)CC3)C2)c(F)c1	ZINC000367665717	556109124	/nfs/dbraw/zinc/10/91/24/556109124.db2.gz	LPQCKGDTHYFMOW-INIZCTEOSA-N	1	1	356.445	2.220	20	30		FEEDMO
C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C	ZINC000514894125	561985402	/nfs/dbraw/zinc/98/54/02/561985402.db2.gz	UWFYWJVLWRIOLT-CABCVRRESA-N	1	1	362.522	2.301	20	30		FEEDMO
N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)n2)c(F)c1	ZINC000367804530	556143332	/nfs/dbraw/zinc/14/33/32/556143332.db2.gz	UTRYOCPZXWVSRE-LSDHHAIUSA-N	1	1	368.416	2.631	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CC(N)=O)C2)sc2c1CCCCC2	ZINC000367982269	556187394	/nfs/dbraw/zinc/18/73/94/556187394.db2.gz	ISOWZEATLURLLK-CYBMUJFWSA-N	1	1	374.510	2.415	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@H]3CCCC[C@H]32)CC1	ZINC000368080586	556213479	/nfs/dbraw/zinc/21/34/79/556213479.db2.gz	FSQJZHVVNYYZCC-ZACQAIPSSA-N	1	1	358.511	2.331	20	30		FEEDMO
N#Cc1cc(F)c(N2CCC(C(=O)N3CC[NH+](C4CC4)CC3)CC2)c(F)c1	ZINC000368577119	556351510	/nfs/dbraw/zinc/35/15/10/556351510.db2.gz	UWEOSUWQKIANHD-UHFFFAOYSA-N	1	1	374.435	2.359	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N	ZINC000368664018	556378944	/nfs/dbraw/zinc/37/89/44/556378944.db2.gz	SYGSGPSIMJEJCF-JKSUJKDBSA-N	1	1	360.483	2.424	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000368925303	556449866	/nfs/dbraw/zinc/44/98/66/556449866.db2.gz	QZXZJIOLVQXVMN-NHCUHLMSSA-N	1	1	360.498	2.311	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1	ZINC000369013356	556476418	/nfs/dbraw/zinc/47/64/18/556476418.db2.gz	ZIFSIPDQKYRACC-MRXNPFEDSA-N	1	1	368.397	2.329	20	30		FEEDMO
COc1ccc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1OCCCC#N	ZINC000369037129	556484304	/nfs/dbraw/zinc/48/43/04/556484304.db2.gz	VEFFQLLLJRLZJY-ZWKOTPCHSA-N	1	1	359.470	2.331	20	30		FEEDMO
COc1ccc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc1OCCCC#N	ZINC000369037129	556484305	/nfs/dbraw/zinc/48/43/05/556484305.db2.gz	VEFFQLLLJRLZJY-ZWKOTPCHSA-N	1	1	359.470	2.331	20	30		FEEDMO
C=CCN(C(=O)Cn1ccccc1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000369080503	556499488	/nfs/dbraw/zinc/49/94/88/556499488.db2.gz	FZOFEPWGZMIOPB-IBGZPJMESA-N	1	1	351.450	2.137	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)N(C)[C@@H](C)CC#N)cc1	ZINC000369212408	556537419	/nfs/dbraw/zinc/53/74/19/556537419.db2.gz	BLNFQNKPCNGILH-KBPBESRZSA-N	1	1	361.471	2.310	20	30		FEEDMO
CCc1nc(CN2CCC[C@@H]([N@@H+](C)CCOc3ccccc3C#N)C2)no1	ZINC000369237234	556544726	/nfs/dbraw/zinc/54/47/26/556544726.db2.gz	PYGZNOLRBPZSRY-QGZVFWFLSA-N	1	1	369.469	2.479	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@H]2OCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000369540017	556625207	/nfs/dbraw/zinc/62/52/07/556625207.db2.gz	HPQSQTXGLBCFPN-IAGOWNOFSA-N	1	1	366.383	2.426	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@H]2OCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000369540017	556625209	/nfs/dbraw/zinc/62/52/09/556625209.db2.gz	HPQSQTXGLBCFPN-IAGOWNOFSA-N	1	1	366.383	2.426	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000369591163	556641083	/nfs/dbraw/zinc/64/10/83/556641083.db2.gz	KCCOYXLFCRMMGO-KRWDZBQOSA-N	1	1	357.454	2.423	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(CN2CCCC2=O)CC1)C1(C#N)CCCCC1	ZINC000369811377	556701765	/nfs/dbraw/zinc/70/17/65/556701765.db2.gz	QWBRZZINGVKIRE-UHFFFAOYSA-N	1	1	360.502	2.006	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cccc(SCC#N)c3)CC2)C1	ZINC000370215803	556813270	/nfs/dbraw/zinc/81/32/70/556813270.db2.gz	MPCZNVPLFVHXSM-KRWDZBQOSA-N	1	1	358.511	2.154	20	30		FEEDMO
C=CCN1CC(=O)N([C@@H]2CC[N@@H+](C3CC3)[C@H]2c2cccc(OC)c2)C1=O	ZINC000370445432	556875255	/nfs/dbraw/zinc/87/52/55/556875255.db2.gz	UUBCVVMZDZZPHI-MJGOQNOKSA-N	1	1	355.438	2.423	20	30		FEEDMO
C=CCC[C@H](O)C[N@@H+]1CCCN(Cc2nc([C@@H](C)OCC)no2)CC1	ZINC000370494441	556889786	/nfs/dbraw/zinc/88/97/86/556889786.db2.gz	DRKXSFREHJHDTF-CVEARBPZSA-N	1	1	352.479	2.002	20	30		FEEDMO
C[C@@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1	ZINC000516856939	562060811	/nfs/dbraw/zinc/06/08/11/562060811.db2.gz	IMBUGGINHLXDAP-YLJYHZDGSA-N	1	1	369.513	2.164	20	30		FEEDMO
CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1	ZINC000370621074	556922618	/nfs/dbraw/zinc/92/26/18/556922618.db2.gz	AVVPDCLDOHNPHZ-AWEZNQCLSA-N	1	1	355.446	2.141	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1nccc(C#N)c1[N+](=O)[O-]	ZINC000370708547	556945625	/nfs/dbraw/zinc/94/56/25/556945625.db2.gz	QDQZADVVMAKSAI-HOTGVXAUSA-N	1	1	352.398	2.386	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000370902843	557009156	/nfs/dbraw/zinc/00/91/56/557009156.db2.gz	CWSZZJATTQGEGE-MOPGFXCFSA-N	1	1	366.465	2.140	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](N4CCCCC4=O)C3)C2=O)cc1	ZINC000370902843	557009160	/nfs/dbraw/zinc/00/91/60/557009160.db2.gz	CWSZZJATTQGEGE-MOPGFXCFSA-N	1	1	366.465	2.140	20	30		FEEDMO
Cn1cc([C@H]2[C@H](CNC(=O)c3cccc(CC#N)c3)CCC[N@H+]2C)cn1	ZINC000370909707	557011497	/nfs/dbraw/zinc/01/14/97/557011497.db2.gz	DMIJEJNSIACWMV-PKOBYXMFSA-N	1	1	351.454	2.299	20	30		FEEDMO
CC(C)Oc1ccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cn1	ZINC000517358724	562086870	/nfs/dbraw/zinc/08/68/70/562086870.db2.gz	NAXCZXKTUGUFHI-UHFFFAOYSA-N	1	1	359.451	2.304	20	30		FEEDMO
CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H](O)COc1ccc(C#N)cc1	ZINC000517557008	562092438	/nfs/dbraw/zinc/09/24/38/562092438.db2.gz	UNDMQRYFBUVXLP-NVXWUHKLSA-N	1	1	355.442	2.138	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000371765903	557287161	/nfs/dbraw/zinc/28/71/61/557287161.db2.gz	LXLQYCHQEHLKGF-HOTGVXAUSA-N	1	1	358.442	2.332	20	30		FEEDMO
CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000371828958	557305651	/nfs/dbraw/zinc/30/56/51/557305651.db2.gz	OOIJBSIZKQUKCG-WDEREUQCSA-N	1	1	357.439	2.176	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CC1	ZINC000518817240	562119151	/nfs/dbraw/zinc/11/91/51/562119151.db2.gz	KATCMJQYQUIQGL-UHFFFAOYSA-N	1	1	370.434	2.257	20	30		FEEDMO
N#Cc1c(C[NH+]2CCC(N3C(=O)CCCC3=O)CC2)cn2ccccc12	ZINC000372268640	557426217	/nfs/dbraw/zinc/42/62/17/557426217.db2.gz	RBBMIJVCHLJBMT-UHFFFAOYSA-N	1	1	350.422	2.314	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NCC[N@H+](C)C3CCCCC3)cc2C1=O	ZINC000519062519	562124351	/nfs/dbraw/zinc/12/43/51/562124351.db2.gz	RLZFODZIJALNGD-UHFFFAOYSA-N	1	1	369.465	2.463	20	30		FEEDMO
C#CCCCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](CC)C3)c1C	ZINC000373108604	557630448	/nfs/dbraw/zinc/63/04/48/557630448.db2.gz	IVDHFHLXDVVTPE-UHFFFAOYSA-N	1	1	351.454	2.097	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(n2cnc(C#N)n2)CC1	ZINC000373450653	557695923	/nfs/dbraw/zinc/69/59/23/557695923.db2.gz	ACVOZKYXGSKACK-MRXNPFEDSA-N	1	1	373.505	2.151	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000521186786	562171266	/nfs/dbraw/zinc/17/12/66/562171266.db2.gz	SSVCXOIQNDVBCJ-QFBILLFUSA-N	1	1	370.497	2.191	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1	ZINC000374456263	557886422	/nfs/dbraw/zinc/88/64/22/557886422.db2.gz	KALRESBLJVKCKG-HZPDHXFCSA-N	1	1	367.519	2.370	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)cc1	ZINC000374565430	557900432	/nfs/dbraw/zinc/90/04/32/557900432.db2.gz	GZFJXHZKGVBKRO-WMZOPIPTSA-N	1	1	353.422	2.327	20	30		FEEDMO
COc1cc(OC)cc([C@@]2(F)CC[N@H+](CCC(=O)N(C)CCC#N)C2)c1	ZINC000374636066	557909978	/nfs/dbraw/zinc/90/99/78/557909978.db2.gz	KSLAEXQZYDIWEU-LJQANCHMSA-N	1	1	363.433	2.336	20	30		FEEDMO
COc1cc(OC)cc([C@@]2(F)CC[N@@H+](CCC(=O)N(C)CCC#N)C2)c1	ZINC000374636066	557909979	/nfs/dbraw/zinc/90/99/79/557909979.db2.gz	KSLAEXQZYDIWEU-LJQANCHMSA-N	1	1	363.433	2.336	20	30		FEEDMO
C=CCn1cc(CNC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)nn1	ZINC000521229352	562172388	/nfs/dbraw/zinc/17/23/88/562172388.db2.gz	JIXAZJZAXLUDFQ-DLBZAZTESA-N	1	1	368.485	2.269	20	30		FEEDMO
Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000375156125	557985035	/nfs/dbraw/zinc/98/50/35/557985035.db2.gz	AYXOFYCDFLWVHH-GOSISDBHSA-N	1	1	368.437	2.070	20	30		FEEDMO
Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000375156125	557985036	/nfs/dbraw/zinc/98/50/36/557985036.db2.gz	AYXOFYCDFLWVHH-GOSISDBHSA-N	1	1	368.437	2.070	20	30		FEEDMO
COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)nn1	ZINC000375203107	557991552	/nfs/dbraw/zinc/99/15/52/557991552.db2.gz	UBQXRRIOZKQPCS-INIZCTEOSA-N	1	1	369.425	2.194	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000375595651	558054469	/nfs/dbraw/zinc/05/44/69/558054469.db2.gz	IAPINZGJXSFJHH-NVXWUHKLSA-N	1	1	353.470	2.131	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000375595652	558054538	/nfs/dbraw/zinc/05/45/38/558054538.db2.gz	IAPINZGJXSFJHH-RDJZCZTQSA-N	1	1	353.470	2.131	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C[C@]12C(=O)Nc1ccccc12	ZINC000375609333	558056510	/nfs/dbraw/zinc/05/65/10/558056510.db2.gz	YQQBXMBSEUZTJJ-IERDGZPVSA-N	1	1	364.449	2.432	20	30		FEEDMO
N#C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)C[C@]12C(=O)Nc1ccccc12	ZINC000375609333	558056512	/nfs/dbraw/zinc/05/65/12/558056512.db2.gz	YQQBXMBSEUZTJJ-IERDGZPVSA-N	1	1	364.449	2.432	20	30		FEEDMO
C[C@H](C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)CS(C)(=O)=O	ZINC000375746841	558076401	/nfs/dbraw/zinc/07/64/01/558076401.db2.gz	SSVCKSZROQSKCN-CYBMUJFWSA-N	1	1	354.447	2.221	20	30		FEEDMO
CC(C)N1CCN([C@@H]2CC[N@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000375890716	558094717	/nfs/dbraw/zinc/09/47/17/558094717.db2.gz	NUBNHRTYGZKFHB-HXUWFJFHSA-N	1	1	356.514	2.427	20	30		FEEDMO
CC(C)N1CCN([C@@H]2CC[N@@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000375890716	558094720	/nfs/dbraw/zinc/09/47/20/558094720.db2.gz	NUBNHRTYGZKFHB-HXUWFJFHSA-N	1	1	356.514	2.427	20	30		FEEDMO
N#Cc1cc(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1F	ZINC000376068931	558122529	/nfs/dbraw/zinc/12/25/29/558122529.db2.gz	QKKYKJBCJAFVMK-ZWKOTPCHSA-N	1	1	353.397	2.063	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2c(F)cc(C#N)cc2F)CC1	ZINC000376622252	558198881	/nfs/dbraw/zinc/19/88/81/558198881.db2.gz	NUJPZOYGJYDRFF-OAHLLOKOSA-N	1	1	362.424	2.263	20	30		FEEDMO
C=C(CNC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccccc1	ZINC000376718146	558212846	/nfs/dbraw/zinc/21/28/46/558212846.db2.gz	NSCDOYRMEANVSL-UHFFFAOYSA-N	1	1	370.497	2.086	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C[C@H](C#N)CCC#N)CC2)C1	ZINC000377542978	558360810	/nfs/dbraw/zinc/36/08/10/558360810.db2.gz	KWPGYSMPALKVHA-DLBZAZTESA-N	1	1	361.490	2.057	20	30		FEEDMO
CCCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000522418469	562198200	/nfs/dbraw/zinc/19/82/00/562198200.db2.gz	UHQDETFBBAUWJZ-SJORKVTESA-N	1	1	362.518	2.346	20	30		FEEDMO
COC(=O)c1cc(C[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)cn1C	ZINC000377647249	558386168	/nfs/dbraw/zinc/38/61/68/558386168.db2.gz	JZMXRLLIOFVUEP-UHFFFAOYSA-N	1	1	352.438	2.396	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1	ZINC000377669788	558391697	/nfs/dbraw/zinc/39/16/97/558391697.db2.gz	ORUWWVZJSLJSDE-XUVXKRRUSA-N	1	1	367.497	2.033	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)CC1	ZINC000377819792	558426527	/nfs/dbraw/zinc/42/65/27/558426527.db2.gz	ZLODWUBNBHMARW-HBMCJLEFSA-N	1	1	351.494	2.093	20	30		FEEDMO
C#CCN1CCC(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)CC1	ZINC000377819792	558426531	/nfs/dbraw/zinc/42/65/31/558426531.db2.gz	ZLODWUBNBHMARW-HBMCJLEFSA-N	1	1	351.494	2.093	20	30		FEEDMO
Cc1cc(C2=CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2)cc([N+](=O)[O-])c1N	ZINC000377931881	558449038	/nfs/dbraw/zinc/44/90/38/558449038.db2.gz	LTJRZYMVFHAKGX-AWEZNQCLSA-N	1	1	371.441	2.335	20	30		FEEDMO
Cc1cc(C2=CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)CC2)cc([N+](=O)[O-])c1N	ZINC000377931881	558449041	/nfs/dbraw/zinc/44/90/41/558449041.db2.gz	LTJRZYMVFHAKGX-AWEZNQCLSA-N	1	1	371.441	2.335	20	30		FEEDMO
C#CCOCCC(=O)N(CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1	ZINC000378280949	558518711	/nfs/dbraw/zinc/51/87/11/558518711.db2.gz	ICYAITGEMVUPHK-UHFFFAOYSA-N	1	1	358.486	2.341	20	30		FEEDMO
C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000378455137	558561281	/nfs/dbraw/zinc/56/12/81/558561281.db2.gz	RAMDMVSGUATEGI-GOSISDBHSA-N	1	1	355.463	2.381	20	30		FEEDMO
N#Cc1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1	ZINC000378483967	558567378	/nfs/dbraw/zinc/56/73/78/558567378.db2.gz	RYSLERWVABDKNB-HNNXBMFYSA-N	1	1	350.260	2.227	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1F	ZINC000385131901	558606047	/nfs/dbraw/zinc/60/60/47/558606047.db2.gz	UZJKPZONTJCIFZ-MRXNPFEDSA-N	1	1	359.426	2.250	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F	ZINC000385131901	558606049	/nfs/dbraw/zinc/60/60/49/558606049.db2.gz	UZJKPZONTJCIFZ-MRXNPFEDSA-N	1	1	359.426	2.250	20	30		FEEDMO
CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C)n1cnc(C#N)n1	ZINC000409757161	558718801	/nfs/dbraw/zinc/71/88/01/558718801.db2.gz	DQFZWLDGAMBVIS-AEFFLSMTSA-N	1	1	366.469	2.081	20	30		FEEDMO
C[C@@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409851838	558723229	/nfs/dbraw/zinc/72/32/29/558723229.db2.gz	ANTHJMROWSAIHV-SOLBZPMBSA-N	1	1	366.469	2.128	20	30		FEEDMO
CC[N@@H+](CCC1CCN(C(=O)C(=O)N(C)C[C@@H](C)C#N)CC1)CC(C)C	ZINC000410915211	558823159	/nfs/dbraw/zinc/82/31/59/558823159.db2.gz	MNGYOLIXEYEULX-KRWDZBQOSA-N	1	1	364.534	2.211	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCc3c(cnn3C)C2)c(OC)c1	ZINC000411852206	558976072	/nfs/dbraw/zinc/97/60/72/558976072.db2.gz	YPEDYLRAJACJOG-GOSISDBHSA-N	1	1	371.481	2.345	20	30		FEEDMO
CC(C)[N@@H+](C[C@@H]1CCC(=O)N1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000412065088	559008668	/nfs/dbraw/zinc/00/86/68/559008668.db2.gz	CVEYLOYKGLADMU-FUHWJXTLSA-N	1	1	354.454	2.043	20	30		FEEDMO
C=CCC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1)c1ccccc1	ZINC000413402926	559105239	/nfs/dbraw/zinc/10/52/39/559105239.db2.gz	NXSRQVHZHAZVPQ-ROUUACIJSA-N	1	1	359.470	2.440	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(Br)ccc2C#N)C[C@H](C)O1	ZINC000414132586	559150355	/nfs/dbraw/zinc/15/03/55/559150355.db2.gz	ATDUDEHTGKSONB-TYNCELHUSA-N	1	1	369.259	2.170	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Br)ccc2C#N)C[C@H](C)O1	ZINC000414132586	559150357	/nfs/dbraw/zinc/15/03/57/559150357.db2.gz	ATDUDEHTGKSONB-TYNCELHUSA-N	1	1	369.259	2.170	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[N@H+](C)C[C@@H]1c1ccccc1	ZINC000414457813	559165213	/nfs/dbraw/zinc/16/52/13/559165213.db2.gz	GOWMZNARLZVMFV-QZTJIDSGSA-N	1	1	355.463	2.243	20	30		FEEDMO
C=CCOc1c(Br)cc(CNC[C@H]2C[NH2+]CCO2)cc1OC	ZINC000415093033	559204897	/nfs/dbraw/zinc/20/48/97/559204897.db2.gz	HHZGJRYVRFBHFD-CYBMUJFWSA-N	1	1	371.275	2.101	20	30		FEEDMO
C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000416462540	559314876	/nfs/dbraw/zinc/31/48/76/559314876.db2.gz	QZNUMWYHOWPPGF-GOSISDBHSA-N	1	1	365.433	2.315	20	30		FEEDMO
C[C@@H]1CN(Cc2cc(C#N)ccc2Br)[C@@H](C)C[N@H+]1CCO	ZINC000419348528	559438915	/nfs/dbraw/zinc/43/89/15/559438915.db2.gz	XRCBWBLUVMATQP-OLZOCXBDSA-N	1	1	352.276	2.208	20	30		FEEDMO
N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1	ZINC000419603265	559449441	/nfs/dbraw/zinc/44/94/41/559449441.db2.gz	BAZYHEFALVMHJC-MJGOQNOKSA-N	1	1	356.470	2.082	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000420984629	559517359	/nfs/dbraw/zinc/51/73/59/559517359.db2.gz	UAFVGDOUVHAFQJ-LJQANCHMSA-N	1	1	362.562	2.068	20	30		FEEDMO
CC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000420988401	559517871	/nfs/dbraw/zinc/51/78/71/559517871.db2.gz	QLBNCHRSXCMZPM-ZDUSSCGKSA-N	1	1	360.483	2.038	20	30		FEEDMO
C[C@@H]1CC[C@H](O)C[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000421004074	559518881	/nfs/dbraw/zinc/51/88/81/559518881.db2.gz	FKNFWUWAVXBKET-CJNGLKHVSA-N	1	1	354.372	2.018	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1	ZINC000422493097	559591869	/nfs/dbraw/zinc/59/18/69/559591869.db2.gz	XMBUHLILKOBSRN-KRWDZBQOSA-N	1	1	373.497	2.058	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000527299983	562284307	/nfs/dbraw/zinc/28/43/07/562284307.db2.gz	PVAIQQQAGRNFEJ-HZPDHXFCSA-N	1	1	370.501	2.135	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1	ZINC000527299983	562284308	/nfs/dbraw/zinc/28/43/08/562284308.db2.gz	PVAIQQQAGRNFEJ-HZPDHXFCSA-N	1	1	370.501	2.135	20	30		FEEDMO
N#CCCC[C@@H]([NH3+])C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1	ZINC000424111986	559655231	/nfs/dbraw/zinc/65/52/31/559655231.db2.gz	HVKSNDNGXHMSAM-MRXNPFEDSA-N	1	1	352.442	2.199	20	30		FEEDMO
C=CCn1c([C@H]2CCCS2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000424120340	559655396	/nfs/dbraw/zinc/65/53/96/559655396.db2.gz	GIDYDVHGAOWRPO-HZPDHXFCSA-N	1	1	363.531	2.191	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(c3cc(C)ncc3C#N)CC2)CC1	ZINC000425220896	559691925	/nfs/dbraw/zinc/69/19/25/559691925.db2.gz	DBRHTDRDYFZWKA-UHFFFAOYSA-N	1	1	355.486	2.032	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000425387173	559699363	/nfs/dbraw/zinc/69/93/63/559699363.db2.gz	QMHFQFJSHDFOFT-HNNXBMFYSA-N	1	1	367.453	2.131	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000425521795	559707663	/nfs/dbraw/zinc/70/76/63/559707663.db2.gz	KZEQSXBXHGDXKM-UFYCRDLUSA-N	1	1	373.497	2.168	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000425547022	559709070	/nfs/dbraw/zinc/70/90/70/559709070.db2.gz	WWNUUXFAOFNTEW-PXNSSMCTSA-N	1	1	372.513	2.024	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)[C@H](C(N)=O)c1cccc(Br)c1	ZINC000429703863	559804173	/nfs/dbraw/zinc/80/41/73/559804173.db2.gz	TVSMASZUCRGWFD-HNNXBMFYSA-N	1	1	354.292	2.415	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NCC1(CC#N)CC1)CC2	ZINC000430702194	559826673	/nfs/dbraw/zinc/82/66/73/559826673.db2.gz	QNIMNWCBILIDAF-UHFFFAOYSA-N	1	1	372.469	2.055	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NCC1(CC#N)CC1)CC2	ZINC000430702194	559826674	/nfs/dbraw/zinc/82/66/74/559826674.db2.gz	QNIMNWCBILIDAF-UHFFFAOYSA-N	1	1	372.469	2.055	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1F)c1ccsc1	ZINC000433535002	559883810	/nfs/dbraw/zinc/88/38/10/559883810.db2.gz	SUJMMDZZHJJWGC-OAHLLOKOSA-N	1	1	360.414	2.116	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)c1ccc(F)cc1	ZINC000435433925	559922884	/nfs/dbraw/zinc/92/28/84/559922884.db2.gz	VHVRLZVCDYQTQA-AWEZNQCLSA-N	1	1	353.444	2.340	20	30		FEEDMO
CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3cc(C#N)oc3C)cc2)CC1	ZINC000436054313	559934521	/nfs/dbraw/zinc/93/45/21/559934521.db2.gz	RLPLOJBUFNXNDV-UHFFFAOYSA-N	1	1	366.421	2.376	20	30		FEEDMO
COc1cccc(C[N@@H+](CC(=O)NC2(C#N)CCC2)C[C@@H]2CCCO2)c1	ZINC000527385057	562287341	/nfs/dbraw/zinc/28/73/41/562287341.db2.gz	DWBPDLTUSQHLHI-SFHVURJKSA-N	1	1	357.454	2.239	20	30		FEEDMO
COc1cccc(C[N@H+](CC(=O)NC2(C#N)CCC2)C[C@@H]2CCCO2)c1	ZINC000527385057	562287342	/nfs/dbraw/zinc/28/73/42/562287342.db2.gz	DWBPDLTUSQHLHI-SFHVURJKSA-N	1	1	357.454	2.239	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c(OC(F)F)c1	ZINC000437880720	559970994	/nfs/dbraw/zinc/97/09/94/559970994.db2.gz	GYIKFHLDJHGRPH-INIZCTEOSA-N	1	1	351.397	2.456	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c(OC(F)F)c1	ZINC000437880720	559970995	/nfs/dbraw/zinc/97/09/95/559970995.db2.gz	GYIKFHLDJHGRPH-INIZCTEOSA-N	1	1	351.397	2.456	20	30		FEEDMO
CN(C(=O)C(=O)Nc1cccc(OCCCC#N)c1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000439583965	559997287	/nfs/dbraw/zinc/99/72/87/559997287.db2.gz	AGUFXGAPXYDCRH-KRWDZBQOSA-N	1	1	370.453	2.003	20	30		FEEDMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@@H]1C	ZINC000441106263	560024171	/nfs/dbraw/zinc/02/41/71/560024171.db2.gz	QYIJXIXQHRUFLS-HOTGVXAUSA-N	1	1	372.469	2.249	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@@H]1C	ZINC000441106263	560024172	/nfs/dbraw/zinc/02/41/72/560024172.db2.gz	QYIJXIXQHRUFLS-HOTGVXAUSA-N	1	1	372.469	2.249	20	30		FEEDMO
CN(C)c1nc(N2CCN(CC#Cc3ccccc3Cl)CC2)cc[nH+]1	ZINC000441174736	560025732	/nfs/dbraw/zinc/02/57/32/560025732.db2.gz	WMNRKXYDCFNMNL-UHFFFAOYSA-N	1	1	355.873	2.370	20	30		FEEDMO
CCOc1ccccc1CN1CC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H](C)C1	ZINC000441333277	560028877	/nfs/dbraw/zinc/02/88/77/560028877.db2.gz	TZJDBXATPROXGT-SFHVURJKSA-N	1	1	372.513	2.354	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[N@H+]1C	ZINC000442300572	560048711	/nfs/dbraw/zinc/04/87/11/560048711.db2.gz	ZKIYPIIQIUHBMR-KGLIPLIRSA-N	1	1	360.483	2.182	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[N@@H+]1C	ZINC000442300572	560048712	/nfs/dbraw/zinc/04/87/12/560048712.db2.gz	ZKIYPIIQIUHBMR-KGLIPLIRSA-N	1	1	360.483	2.182	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[N@H+]1CCCC[C@H]1C	ZINC000443104689	560070717	/nfs/dbraw/zinc/07/07/17/560070717.db2.gz	NYSBTDHISMEYOJ-OLZOCXBDSA-N	1	1	366.443	2.008	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@H]1C	ZINC000443353914	560081743	/nfs/dbraw/zinc/08/17/43/560081743.db2.gz	DMQWHWFMEGWQQW-IUODEOHRSA-N	1	1	362.861	2.481	20	30		FEEDMO
Cc1cc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)ccc1C#N	ZINC000443905417	560095728	/nfs/dbraw/zinc/09/57/28/560095728.db2.gz	HWHUOXNXDYUPDV-UHFFFAOYSA-N	1	1	361.442	2.416	20	30		FEEDMO
Cc1cc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(F)cc2)ccc1C#N	ZINC000443905417	560095729	/nfs/dbraw/zinc/09/57/29/560095729.db2.gz	HWHUOXNXDYUPDV-UHFFFAOYSA-N	1	1	361.442	2.416	20	30		FEEDMO
C[C@H](O)C[NH+]1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1	ZINC000444349928	560110632	/nfs/dbraw/zinc/11/06/32/560110632.db2.gz	FWEAVJFZKFLZDA-INIZCTEOSA-N	1	1	354.454	2.084	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1	ZINC000444732880	560119272	/nfs/dbraw/zinc/11/92/72/560119272.db2.gz	WVTZJYZIJPKDCG-MCIONIFRSA-N	1	1	361.408	2.353	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1	ZINC000444732880	560119273	/nfs/dbraw/zinc/11/92/73/560119273.db2.gz	WVTZJYZIJPKDCG-MCIONIFRSA-N	1	1	361.408	2.353	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3ccc(C(F)F)n3)CC2)cc1	ZINC000527747440	562302302	/nfs/dbraw/zinc/30/23/02/562302302.db2.gz	XKWOVULWOUWAJJ-UHFFFAOYSA-N	1	1	373.407	2.427	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3ccc(C(F)F)n3)CC2)cc1	ZINC000527747440	562302303	/nfs/dbraw/zinc/30/23/03/562302303.db2.gz	XKWOVULWOUWAJJ-UHFFFAOYSA-N	1	1	373.407	2.427	20	30		FEEDMO
C=CCCCNC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000448372596	560185879	/nfs/dbraw/zinc/18/58/79/560185879.db2.gz	CMBFWRNNWXPPQL-IYBDPMFKSA-N	1	1	359.470	2.317	20	30		FEEDMO
C=CCCCNC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000448372596	560185880	/nfs/dbraw/zinc/18/58/80/560185880.db2.gz	CMBFWRNNWXPPQL-IYBDPMFKSA-N	1	1	359.470	2.317	20	30		FEEDMO
C[C@H]1C[C@@]1(C#N)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000448836673	560201794	/nfs/dbraw/zinc/20/17/94/560201794.db2.gz	PXQYLCRIAIQZLK-YWZLYKJASA-N	1	1	352.438	2.462	20	30		FEEDMO
C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[N@@H+](C)C1CC1	ZINC000448891646	560205229	/nfs/dbraw/zinc/20/52/29/560205229.db2.gz	UVOSAMLYXGPAJG-OCCSQVGLSA-N	1	1	374.872	2.163	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@H+]2CCOC[C@H]2CC(N)=O)c1	ZINC000449770435	560239607	/nfs/dbraw/zinc/23/96/07/560239607.db2.gz	IUNPUGPADJDFBH-LJQANCHMSA-N	1	1	365.433	2.213	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@@H+]2CCOC[C@H]2CC(N)=O)c1	ZINC000449770435	560239608	/nfs/dbraw/zinc/23/96/08/560239608.db2.gz	IUNPUGPADJDFBH-LJQANCHMSA-N	1	1	365.433	2.213	20	30		FEEDMO
CC[N@H+]1CC[C@@H](CNC(=O)COc2cccc(Br)c2C#N)C1	ZINC000449790466	560240071	/nfs/dbraw/zinc/24/00/71/560240071.db2.gz	LTZMUOAPPIZQLM-LBPRGKRZSA-N	1	1	366.259	2.158	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000450372882	560260350	/nfs/dbraw/zinc/26/03/50/560260350.db2.gz	BBMQUBXHRKQDPJ-UMVBOHGHSA-N	1	1	374.872	2.116	20	30		FEEDMO
C[C@H]1[C@@H](NC(=O)COc2cccc(Br)c2C#N)CCC[N@H+]1C	ZINC000450547014	560265796	/nfs/dbraw/zinc/26/57/96/560265796.db2.gz	LUOTZBZXGVSWRV-FZMZJTMJSA-N	1	1	366.259	2.298	20	30		FEEDMO
C[N@@H+](CCN1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)Cc1ccccc1	ZINC000450611918	560267950	/nfs/dbraw/zinc/26/79/50/560267950.db2.gz	JMCHPDGGDHKCGZ-PGRDOPGGSA-N	1	1	360.461	2.464	20	30		FEEDMO
COc1cc(OC)c2ncc(C#N)c(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)c2c1	ZINC000450789095	560273422	/nfs/dbraw/zinc/27/34/22/560273422.db2.gz	IIGUOYOUIGSWQQ-GASCZTMLSA-N	1	1	368.437	2.399	20	30		FEEDMO
N#CCc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1	ZINC000451044471	560284462	/nfs/dbraw/zinc/28/44/62/560284462.db2.gz	PZNNEIUFMJTHQP-CYBMUJFWSA-N	1	1	353.875	2.169	20	30		FEEDMO
CC[N@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)c2cc(C#N)[nH]c2C)C1	ZINC000451171367	560291342	/nfs/dbraw/zinc/29/13/42/560291342.db2.gz	IVQXTLQDAVWDES-UHFFFAOYSA-N	1	1	360.458	2.119	20	30		FEEDMO
CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)c2cc(C#N)[nH]c2C)C1	ZINC000451171367	560291343	/nfs/dbraw/zinc/29/13/43/560291343.db2.gz	IVQXTLQDAVWDES-UHFFFAOYSA-N	1	1	360.458	2.119	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000451550440	560313970	/nfs/dbraw/zinc/31/39/70/560313970.db2.gz	RRSCBMWAUNIETN-UKRRQHHQSA-N	1	1	360.414	2.175	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000451550440	560313971	/nfs/dbraw/zinc/31/39/71/560313971.db2.gz	RRSCBMWAUNIETN-UKRRQHHQSA-N	1	1	360.414	2.175	20	30		FEEDMO
C[N@@H+](CCCC(C)(C)C#N)CCOc1ccc(S(N)(=O)=O)cc1F	ZINC000451989853	560343097	/nfs/dbraw/zinc/34/30/97/560343097.db2.gz	PKDPQZIPFVIVIR-UHFFFAOYSA-N	1	1	357.451	2.114	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CCN(CCC(F)(F)F)CC1	ZINC000452125294	560352824	/nfs/dbraw/zinc/35/28/24/560352824.db2.gz	YPHLGCZZAXZJFI-CQSZACIVSA-N	1	1	362.440	2.343	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1	ZINC000452125294	560352825	/nfs/dbraw/zinc/35/28/25/560352825.db2.gz	YPHLGCZZAXZJFI-CQSZACIVSA-N	1	1	362.440	2.343	20	30		FEEDMO
C=CCn1c([C@H]2CCCCO2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1	ZINC000453438649	560386643	/nfs/dbraw/zinc/38/66/43/560386643.db2.gz	KQOROEOKUYCHRQ-DLBZAZTESA-N	1	1	363.506	2.253	20	30		FEEDMO
C=C(C)Cn1c(N2CC[N@H+](CCOC)[C@H](C)C2)nnc1[C@]1(C)CCCO1	ZINC000453472502	560387661	/nfs/dbraw/zinc/38/76/61/560387661.db2.gz	XVEOEQHBLVXFON-APWZRJJASA-N	1	1	363.506	2.037	20	30		FEEDMO
C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+](C2CC2)C1	ZINC000453771074	560403097	/nfs/dbraw/zinc/40/30/97/560403097.db2.gz	UEGZUDGXKREPAP-CYBMUJFWSA-N	1	1	374.872	2.287	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000454320959	560439693	/nfs/dbraw/zinc/43/96/93/560439693.db2.gz	IVBQOKFAWFNDIH-AABGKKOBSA-N	1	1	372.513	2.008	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1	ZINC000454320959	560439694	/nfs/dbraw/zinc/43/96/94/560439694.db2.gz	IVBQOKFAWFNDIH-AABGKKOBSA-N	1	1	372.513	2.008	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000454320959	560439695	/nfs/dbraw/zinc/43/96/95/560439695.db2.gz	IVBQOKFAWFNDIH-AABGKKOBSA-N	1	1	372.513	2.008	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)CC#N	ZINC000456378488	560518223	/nfs/dbraw/zinc/51/82/23/560518223.db2.gz	VECIZCADLVAFDG-LLVKDONJSA-N	1	1	351.248	2.442	20	30		FEEDMO
C=CCOc1ccc(CC(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)cc1	ZINC000456876048	560535064	/nfs/dbraw/zinc/53/50/64/560535064.db2.gz	FYRHNVSQUPIISF-UHFFFAOYSA-N	1	1	359.514	2.326	20	30		FEEDMO
COCCN(CC#N)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000457209318	560555919	/nfs/dbraw/zinc/55/59/19/560555919.db2.gz	YPNSEHKYRDPCPG-INIZCTEOSA-N	1	1	351.397	2.142	20	30		FEEDMO
Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ncc1C#N	ZINC000457398640	560564920	/nfs/dbraw/zinc/56/49/20/560564920.db2.gz	JIWXRUITIAUKEP-UHFFFAOYSA-N	1	1	359.433	2.481	20	30		FEEDMO
Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ncc1C#N	ZINC000457398640	560564921	/nfs/dbraw/zinc/56/49/21/560564921.db2.gz	JIWXRUITIAUKEP-UHFFFAOYSA-N	1	1	359.433	2.481	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@@H]21	ZINC000457569335	560575360	/nfs/dbraw/zinc/57/53/60/560575360.db2.gz	AMLNUWUHTCFSQP-ZBFHGGJFSA-N	1	1	351.372	2.402	20	30		FEEDMO
C=CCC1(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCCC1	ZINC000458450906	560624110	/nfs/dbraw/zinc/62/41/10/560624110.db2.gz	ZSSICPROLMKUDR-INIZCTEOSA-N	1	1	350.507	2.152	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H](C)Cc2cccc(F)c2)CC1	ZINC000459761096	560706760	/nfs/dbraw/zinc/70/67/60/560706760.db2.gz	KQTACNYDTZRNOU-YLJYHZDGSA-N	1	1	374.504	2.381	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1	ZINC000459818678	560710578	/nfs/dbraw/zinc/71/05/78/560710578.db2.gz	RBMTVKREQAICFM-UXHICEINSA-N	1	1	367.493	2.168	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CC[NH+](CC(C)C)CC1	ZINC000460027740	560730046	/nfs/dbraw/zinc/73/00/46/560730046.db2.gz	IJUQPRJBJKHQFK-UHFFFAOYSA-N	1	1	373.497	2.010	20	30		FEEDMO
C=C(C)Cn1c(CC2CC2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000460380417	560742651	/nfs/dbraw/zinc/74/26/51/560742651.db2.gz	NFNHYOXFYLMZIE-INIZCTEOSA-N	1	1	359.518	2.496	20	30		FEEDMO
C=C(C)Cn1c(CC(C)C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1	ZINC000460555991	560746034	/nfs/dbraw/zinc/74/60/34/560746034.db2.gz	GTDJXLKNGFNRON-GOSISDBHSA-N	1	1	360.550	2.269	20	30		FEEDMO
C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](CC)CCC)cc1	ZINC000461544826	560775060	/nfs/dbraw/zinc/77/50/60/560775060.db2.gz	QYWWOOFHHATGSJ-HNNXBMFYSA-N	1	1	367.515	2.001	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1OC	ZINC000463680255	560821006	/nfs/dbraw/zinc/82/10/06/560821006.db2.gz	WIDOOZDRPQUWKP-INIZCTEOSA-N	1	1	365.499	2.500	20	30		FEEDMO
COc1cc([C@H](C#N)NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc(OC)c1OC	ZINC000468945244	560942992	/nfs/dbraw/zinc/94/29/92/560942992.db2.gz	ISYHYXBCYLKTOF-GUTXKFCHSA-N	1	1	361.442	2.266	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000469447603	560955508	/nfs/dbraw/zinc/95/55/08/560955508.db2.gz	DQTPLNBHSJKUGJ-WOJBJXKFSA-N	1	1	357.498	2.248	20	30		FEEDMO
Cc1cc(C(=O)NC2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c(C)o1	ZINC000469588955	560958994	/nfs/dbraw/zinc/95/89/94/560958994.db2.gz	OLZGZOMMICWPPB-AWEZNQCLSA-N	1	1	372.469	2.042	20	30		FEEDMO
Cc1cc(C(=O)NC2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c(C)o1	ZINC000469588956	560959124	/nfs/dbraw/zinc/95/91/24/560959124.db2.gz	OLZGZOMMICWPPB-CQSZACIVSA-N	1	1	372.469	2.042	20	30		FEEDMO
CCN(C[C@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1)CC(F)(F)F	ZINC000469720587	560962756	/nfs/dbraw/zinc/96/27/56/560962756.db2.gz	IVZJCQGTWMJEEK-ZIAGYGMSSA-N	1	1	360.424	2.143	20	30		FEEDMO
COc1ccc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ncccn2)cc1C#N	ZINC000470805422	560989886	/nfs/dbraw/zinc/98/98/86/560989886.db2.gz	YRFSWQCCNMSUPA-ROUUACIJSA-N	1	1	369.444	2.401	20	30		FEEDMO
CCOCC[C@@H](O)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471019818	560996636	/nfs/dbraw/zinc/99/66/36/560996636.db2.gz	RLHJWLHAACLILQ-MSOLQXFVSA-N	1	1	351.878	2.310	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000471620482	561008918	/nfs/dbraw/zinc/00/89/18/561008918.db2.gz	JSDKPEOXJPLRPR-WOJBJXKFSA-N	1	1	368.481	2.104	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1C#N	ZINC000472163929	561019963	/nfs/dbraw/zinc/01/99/63/561019963.db2.gz	RECOXLDCZPIZAD-UHFFFAOYSA-N	1	1	359.861	2.455	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](CO)c1ccsc1	ZINC000473167207	561043152	/nfs/dbraw/zinc/04/31/52/561043152.db2.gz	KABHALPRISOLTM-INIZCTEOSA-N	1	1	367.434	2.067	20	30		FEEDMO
N#Cc1ccccc1N1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1	ZINC000528283718	562320535	/nfs/dbraw/zinc/32/05/35/562320535.db2.gz	CQEKKPUZAVHYDW-LJQANCHMSA-N	1	1	367.497	2.407	20	30		FEEDMO
COc1ccc2c(c1)C[N@@H+](CC#CCN1C(=O)c3ccccc3C1=O)CC2	ZINC000528358432	562324752	/nfs/dbraw/zinc/32/47/52/562324752.db2.gz	LPXOGLATINZLLY-UHFFFAOYSA-N	1	1	360.413	2.353	20	30		FEEDMO
COc1ccc2c(c1)C[N@H+](CC#CCN1C(=O)c3ccccc3C1=O)CC2	ZINC000528358432	562324753	/nfs/dbraw/zinc/32/47/53/562324753.db2.gz	LPXOGLATINZLLY-UHFFFAOYSA-N	1	1	360.413	2.353	20	30		FEEDMO
Cn1ncc2c1CCC[C@H]2[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528422537	562328537	/nfs/dbraw/zinc/32/85/37/562328537.db2.gz	SAKJOYSFIQXSNE-GOSISDBHSA-N	1	1	362.433	2.029	20	30		FEEDMO
Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528422537	562328538	/nfs/dbraw/zinc/32/85/38/562328538.db2.gz	SAKJOYSFIQXSNE-GOSISDBHSA-N	1	1	362.433	2.029	20	30		FEEDMO
CC(C)(C)[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1O	ZINC000528441364	562329478	/nfs/dbraw/zinc/32/94/78/562329478.db2.gz	UOLLHLDDFLOCRB-ROUUACIJSA-N	1	1	354.450	2.015	20	30		FEEDMO
COCC[C@H]1CCCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528454115	562330297	/nfs/dbraw/zinc/33/02/97/562330297.db2.gz	SRIQTADURAZQMN-QGZVFWFLSA-N	1	1	354.450	2.425	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CC2(CCOCC2)CC[C@H]1CO	ZINC000528642084	562339957	/nfs/dbraw/zinc/33/99/57/562339957.db2.gz	UREQHXNDWLGJSD-KRWDZBQOSA-N	1	1	357.454	2.140	20	30		FEEDMO
CC(C)[C@@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC[N@H+]1Cc1ccccc1	ZINC000529806194	562386238	/nfs/dbraw/zinc/38/62/38/562386238.db2.gz	ZPFQLSDEQKDNCR-WMZOPIPTSA-N	1	1	366.469	2.080	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)c2cc(C)c(C#N)cn2)cc1	ZINC000529836586	562387759	/nfs/dbraw/zinc/38/77/59/562387759.db2.gz	QORUVJKEXPXTRA-QGZVFWFLSA-N	1	1	350.422	2.275	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)c2cc(C)c(C#N)cn2)cc1	ZINC000529836586	562387760	/nfs/dbraw/zinc/38/77/60/562387760.db2.gz	QORUVJKEXPXTRA-QGZVFWFLSA-N	1	1	350.422	2.275	20	30		FEEDMO
COc1cc2c(cc1OC)CC[NH+]([C@@H](C)C(=O)NC1(C#N)CCC1)CC2	ZINC000530337721	562407452	/nfs/dbraw/zinc/40/74/52/562407452.db2.gz	MVWNTBBARLWSKS-AWEZNQCLSA-N	1	1	357.454	2.055	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2C[C@@H](O)C[C@@H]2C)c1C#N	ZINC000530519880	562414290	/nfs/dbraw/zinc/41/42/90/562414290.db2.gz	YLCNVRBKYRHZMF-GUYCJALGSA-N	1	1	352.438	2.359	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1C#N	ZINC000530519880	562414291	/nfs/dbraw/zinc/41/42/91/562414291.db2.gz	YLCNVRBKYRHZMF-GUYCJALGSA-N	1	1	352.438	2.359	20	30		FEEDMO
CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)Cc1cccc(C#N)c1	ZINC000530668575	562419967	/nfs/dbraw/zinc/41/99/67/562419967.db2.gz	CHLBLRPCGAUFEL-LJQANCHMSA-N	1	1	371.481	2.367	20	30		FEEDMO
CC(C)CCO[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000530728051	562422116	/nfs/dbraw/zinc/42/21/16/562422116.db2.gz	NZQRBICQIDUPQW-QZTJIDSGSA-N	1	1	355.438	2.327	20	30		FEEDMO
CC(C)CCO[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C1	ZINC000530728051	562422117	/nfs/dbraw/zinc/42/21/17/562422117.db2.gz	NZQRBICQIDUPQW-QZTJIDSGSA-N	1	1	355.438	2.327	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)C1CCOCC1	ZINC000530866620	562426660	/nfs/dbraw/zinc/42/66/60/562426660.db2.gz	VKQCJYYYJZTKNB-UHFFFAOYSA-N	1	1	362.474	2.062	20	30		FEEDMO
CCC[N@@H+](C)CC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N	ZINC000530983821	562430712	/nfs/dbraw/zinc/43/07/12/562430712.db2.gz	RHEBHBHTYOZLDF-UHFFFAOYSA-N	1	1	368.485	2.025	20	30		FEEDMO
CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1	ZINC000531246184	562439388	/nfs/dbraw/zinc/43/93/88/562439388.db2.gz	KCIKTGRAKAXOTJ-QGZVFWFLSA-N	1	1	373.476	2.259	20	30		FEEDMO
N#CCc1ccnc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1	ZINC000532181008	562470055	/nfs/dbraw/zinc/47/00/55/562470055.db2.gz	JVUWOGYTIZCDSZ-SFHVURJKSA-N	1	1	350.422	2.377	20	30		FEEDMO
N#CCc1ccnc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1	ZINC000532181008	562470056	/nfs/dbraw/zinc/47/00/56/562470056.db2.gz	JVUWOGYTIZCDSZ-SFHVURJKSA-N	1	1	350.422	2.377	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000532438038	562478001	/nfs/dbraw/zinc/47/80/01/562478001.db2.gz	GDQVRMWUVMRQJR-NVXWUHKLSA-N	1	1	358.442	2.332	20	30		FEEDMO
C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000532503154	562479659	/nfs/dbraw/zinc/47/96/59/562479659.db2.gz	CJGICHOAYMXCCF-UHFFFAOYSA-N	1	1	373.478	2.003	20	30		FEEDMO
C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000532503154	562479660	/nfs/dbraw/zinc/47/96/60/562479660.db2.gz	CJGICHOAYMXCCF-UHFFFAOYSA-N	1	1	373.478	2.003	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)[C@H]1c1ccccc1	ZINC000534638903	562538846	/nfs/dbraw/zinc/53/88/46/562538846.db2.gz	NLWQXAPURDPBLW-SJLPKXTDSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2F)[C@H]1c1ccccc1	ZINC000534638903	562538847	/nfs/dbraw/zinc/53/88/47/562538847.db2.gz	NLWQXAPURDPBLW-SJLPKXTDSA-N	1	1	359.426	2.421	20	30		FEEDMO
COC(=O)c1cccc(C[N@H+](C)C[C@H](O)COCc2ccccc2)c1C#N	ZINC000535208428	562553152	/nfs/dbraw/zinc/55/31/52/562553152.db2.gz	WBZYCSDIOIXRCL-SFHVURJKSA-N	1	1	368.433	2.354	20	30		FEEDMO
COC(=O)c1cccc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)c1C#N	ZINC000535208428	562553153	/nfs/dbraw/zinc/55/31/53/562553153.db2.gz	WBZYCSDIOIXRCL-SFHVURJKSA-N	1	1	368.433	2.354	20	30		FEEDMO
Cc1nnc(N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C#N)c1C	ZINC000536893723	562582050	/nfs/dbraw/zinc/58/20/50/562582050.db2.gz	PNZIWXXIQMYILW-HUUCEWRRSA-N	1	1	373.501	2.060	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000555939897	674381954	/nfs/dbraw/zinc/38/19/54/674381954.db2.gz	DAOQHNFJYLCOMO-UHFFFAOYSA-N	1	1	350.488	2.312	20	30		FEEDMO
C[NH2+][C@@H](C(=O)N1CCN(CCC#N)CC1)c1cccc(Cl)c1Cl	ZINC000601852246	567860687	/nfs/dbraw/zinc/86/06/87/567860687.db2.gz	UOFFMEUHJWXUNU-OAHLLOKOSA-N	1	1	355.269	2.312	20	30		FEEDMO
CCOc1ccc(-c2cn(C3C[NH+](C[C@H](O)CC4(C#N)CC4)C3)nn2)cc1	ZINC000601958593	567886250	/nfs/dbraw/zinc/88/62/50/567886250.db2.gz	NRNFTOYMJZOWNP-QGZVFWFLSA-N	1	1	367.453	2.255	20	30		FEEDMO
CN(C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[C@@H]1CCC[C@@H]1C#N	ZINC000602065181	567923650	/nfs/dbraw/zinc/92/36/50/567923650.db2.gz	CCRCPUHXCNUQLS-MLGOLLRUSA-N	1	1	362.861	2.491	20	30		FEEDMO
CCN1CCN(c2ccc(C[NH2+][C@H](C)CC3(C#N)CCOCC3)cn2)CC1	ZINC000602513719	567989512	/nfs/dbraw/zinc/98/95/12/567989512.db2.gz	HBFBCJCZUOMCEF-GOSISDBHSA-N	1	1	371.529	2.412	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(Nc2ccccc2C#N)CC1	ZINC000602893245	568004441	/nfs/dbraw/zinc/00/44/41/568004441.db2.gz	DJRKORPPZCJODD-OAHLLOKOSA-N	1	1	351.454	2.386	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)c2ccc(C)cc2)CC1	ZINC000602932047	568019928	/nfs/dbraw/zinc/01/99/28/568019928.db2.gz	PWXVPLUWXQPVMZ-KRWDZBQOSA-N	1	1	370.497	2.197	20	30		FEEDMO
CN(C(=O)Cn1cc(C[NH2+]Cc2ccccc2)nn1)C1(C#N)CCCCC1	ZINC000603178805	568068363	/nfs/dbraw/zinc/06/83/63/568068363.db2.gz	JIWUBUJJHFUUAF-UHFFFAOYSA-N	1	1	366.469	2.253	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1	ZINC000603842985	568155314	/nfs/dbraw/zinc/15/53/14/568155314.db2.gz	VWYHPYQKLQWPHT-ROUUACIJSA-N	1	1	352.438	2.162	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000810070660	674529540	/nfs/dbraw/zinc/52/95/40/674529540.db2.gz	RQZJAVLZAGBMFH-UONOGXRCSA-N	1	1	363.424	2.190	20	30		FEEDMO
C=CCCCCC[N@@H+](C)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000819740224	606188878	/nfs/dbraw/zinc/18/88/78/606188878.db2.gz	UZHXPEVNVFFLOG-UHFFFAOYSA-N	1	1	363.487	2.319	20	30		FEEDMO
C=CCCCCC[N@H+](C)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1	ZINC000819740224	606188880	/nfs/dbraw/zinc/18/88/80/606188880.db2.gz	UZHXPEVNVFFLOG-UHFFFAOYSA-N	1	1	363.487	2.319	20	30		FEEDMO
N#CCC1CC[NH+](Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1	ZINC000826380474	609429130	/nfs/dbraw/zinc/42/91/30/609429130.db2.gz	BVBXNBIBJBWXOY-UHFFFAOYSA-N	1	1	350.386	2.042	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1	ZINC000811446038	674604220	/nfs/dbraw/zinc/60/42/20/674604220.db2.gz	RXAKWCQYIHJHHO-MORSLUCNSA-N	1	1	355.454	2.185	20	30		FEEDMO
COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(Br)cc1C#N	ZINC000561866499	674704506	/nfs/dbraw/zinc/70/45/06/674704506.db2.gz	VKLGDSCPZKGIJZ-OAHLLOKOSA-N	1	1	355.232	2.379	20	30		FEEDMO
N#CCCNC(=O)C[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1	ZINC000814677394	674874671	/nfs/dbraw/zinc/87/46/71/674874671.db2.gz	VSJIRERBSRRSAJ-CQSZACIVSA-N	1	1	350.260	2.343	20	30		FEEDMO
C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl	ZINC000815082620	674913853	/nfs/dbraw/zinc/91/38/53/674913853.db2.gz	BZIZRECLQFXIQI-UHFFFAOYSA-N	1	1	365.282	2.235	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)/C=C/c1ccc(Br)cc1	ZINC000815082317	674913938	/nfs/dbraw/zinc/91/39/38/674913938.db2.gz	KOADGSMYZRSOSQ-UKTHLTGXSA-N	1	1	371.300	2.294	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1	ZINC000815083209	674914483	/nfs/dbraw/zinc/91/44/83/674914483.db2.gz	QRUKTTNJTDNCLN-UHFFFAOYSA-N	1	1	366.817	2.175	20	30		FEEDMO
C#CCNC(=O)CC[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21	ZINC000815099892	674917924	/nfs/dbraw/zinc/91/79/24/674917924.db2.gz	OCEPRFNCFQKKJQ-CQSZACIVSA-N	1	1	351.244	2.344	20	30		FEEDMO
CCOC(=O)N1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000028843704	670093041	/nfs/dbraw/zinc/09/30/41/670093041.db2.gz	OELBBKJPLUUSCP-UHFFFAOYSA-N	1	1	364.833	2.314	20	30		FEEDMO
C=C(Br)CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000070881653	670493150	/nfs/dbraw/zinc/49/31/50/670493150.db2.gz	POLMEWHMZSRQHK-UHFFFAOYSA-N	1	1	352.276	2.072	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1	ZINC000570739120	670761801	/nfs/dbraw/zinc/76/18/01/670761801.db2.gz	QWCYZKBDYGTJES-CRAIPNDOSA-N	1	1	360.889	2.391	20	30		FEEDMO
COc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1OC	ZINC000570747648	670763026	/nfs/dbraw/zinc/76/30/26/670763026.db2.gz	WTYSBZBZIZGIMV-UHFFFAOYSA-N	1	1	360.435	2.139	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1	ZINC000817716604	675164572	/nfs/dbraw/zinc/16/45/72/675164572.db2.gz	OWBZQUWQVKNCRG-HZPDHXFCSA-N	1	1	350.459	2.321	20	30		FEEDMO
CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1sccc1C#N	ZINC000574348943	671229005	/nfs/dbraw/zinc/22/90/05/671229005.db2.gz	CMAJBSDMBLBKRT-ZDUSSCGKSA-N	1	1	357.439	2.008	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1cc(Br)c(C#N)cc1F	ZINC000574770943	671275935	/nfs/dbraw/zinc/27/59/35/671275935.db2.gz	NCCTUZSVHDNRPE-GHMZBOCLSA-N	1	1	356.239	2.351	20	30		FEEDMO
Cc1nc(SCC(=O)N2CC[NH2+]C[C@](C)(F)C2)c(C#N)c(C)c1C	ZINC000576644798	671384009	/nfs/dbraw/zinc/38/40/09/671384009.db2.gz	XBTVVPSKSXLNNQ-KRWDZBQOSA-N	1	1	350.463	2.131	20	30		FEEDMO
C[C@@H]1C[C@@H]1[N@H+]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@@H](C)C1	ZINC000583358342	672087206	/nfs/dbraw/zinc/08/72/06/672087206.db2.gz	RVHDSUPDPQOKJF-SRABZTEZSA-N	1	1	358.511	2.387	20	30		FEEDMO
NC(=[NH+]OCc1nc(-c2cc(F)c(F)c(F)c2)no1)C1CCOCC1	ZINC000134169384	672120354	/nfs/dbraw/zinc/12/03/54/672120354.db2.gz	ODHSSVJOYMKRCE-UHFFFAOYSA-N	1	1	356.304	2.369	20	30		FEEDMO
C=CCNc1nnc(SC[C@H](O)C[N@H+](C)Cc2ccccc2)s1	ZINC000588690328	672472802	/nfs/dbraw/zinc/47/28/02/672472802.db2.gz	WMICMSHTAKAQDA-CQSZACIVSA-N	1	1	350.513	2.721	20	30		FEEDMO
CC#CCCCC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000185430224	672527080	/nfs/dbraw/zinc/52/70/80/672527080.db2.gz	BQAKGILCNKZBSL-UHFFFAOYSA-N	1	1	351.491	2.239	20	30		FEEDMO
C[N@H+]1C[C@H]2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)[C@H]2C1	ZINC000590012739	672554678	/nfs/dbraw/zinc/55/46/78/672554678.db2.gz	XDOBZISKBHEFMJ-CJNGLKHVSA-N	1	1	358.511	2.463	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)F)C2)CC1	ZINC000611432662	676036830	/nfs/dbraw/zinc/03/68/30/676036830.db2.gz	JRSHRXLJMNDPQL-KGLIPLIRSA-N	1	1	368.453	2.044	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1	ZINC000611431809	676036847	/nfs/dbraw/zinc/03/68/47/676036847.db2.gz	BOINZJTVKCDZPV-IEBWSBKVSA-N	1	1	365.905	2.383	20	30		FEEDMO
COc1cc(NC(=O)CC[N@H+]2CC[C@@](O)(CC#N)C2)c(OC)cc1Cl	ZINC000592152517	672764805	/nfs/dbraw/zinc/76/48/05/672764805.db2.gz	YNZXAVMCEQZDEJ-KRWDZBQOSA-N	1	1	367.833	2.036	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccsc2C#N)[C@@H](C)C1	ZINC000593546320	672939077	/nfs/dbraw/zinc/93/90/77/672939077.db2.gz	JUFCTJCMUJICNP-KBPBESRZSA-N	1	1	371.528	2.035	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)o1	ZINC000593668221	672975139	/nfs/dbraw/zinc/97/51/39/672975139.db2.gz	HFSIAACCYDIUJM-UHFFFAOYSA-N	1	1	359.451	2.403	20	30		FEEDMO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1	ZINC000594325723	673058871	/nfs/dbraw/zinc/05/88/71/673058871.db2.gz	ITEHOFJXXVESPS-HOCLYGCPSA-N	1	1	360.845	2.283	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCOc2cccc(F)c2C1	ZINC000328739802	673065978	/nfs/dbraw/zinc/06/59/78/673065978.db2.gz	MUSBVVGWEDBWCT-AWEZNQCLSA-N	1	1	351.422	2.045	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)[N@H+](C)C1	ZINC000328941812	673069956	/nfs/dbraw/zinc/06/99/56/673069956.db2.gz	FKNRKFJAHQPKSD-KKUMJFAQSA-N	1	1	351.834	2.121	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)[N@@H+](C)C1	ZINC000328941812	673069959	/nfs/dbraw/zinc/06/99/59/673069959.db2.gz	FKNRKFJAHQPKSD-KKUMJFAQSA-N	1	1	351.834	2.121	20	30		FEEDMO
CCn1ccnc1[C@@H](NC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C)C1CCOCC1	ZINC000329102730	673072251	/nfs/dbraw/zinc/07/22/51/673072251.db2.gz	CZSRNIQKHXIICI-JYJNAYRXSA-N	1	1	350.463	2.046	20	30		FEEDMO
CCn1ccnc1[C@@H](NC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C)C1CCOCC1	ZINC000329102730	673072255	/nfs/dbraw/zinc/07/22/55/673072255.db2.gz	CZSRNIQKHXIICI-JYJNAYRXSA-N	1	1	350.463	2.046	20	30		FEEDMO
COc1cccc(OC)c1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000594717550	673121941	/nfs/dbraw/zinc/12/19/41/673121941.db2.gz	BQNKVINBENHCMJ-UHFFFAOYSA-N	1	1	360.435	2.139	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21	ZINC000594775465	673138091	/nfs/dbraw/zinc/13/80/91/673138091.db2.gz	AQNVPZCFFPRLAM-DZGCQCFKSA-N	1	1	361.492	2.406	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21	ZINC000594775465	673138095	/nfs/dbraw/zinc/13/80/95/673138095.db2.gz	AQNVPZCFFPRLAM-DZGCQCFKSA-N	1	1	361.492	2.406	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@@](C)(CCC)NC(=O)OC(C)(C)C)CC1	ZINC000727733329	673180918	/nfs/dbraw/zinc/18/09/18/673180918.db2.gz	ZZMQGPGGDGWOCE-LJQANCHMSA-N	1	1	351.491	2.237	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595072219	673190910	/nfs/dbraw/zinc/19/09/10/673190910.db2.gz	HCBKCOPXKFSPHA-LBPRGKRZSA-N	1	1	362.861	2.387	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1	ZINC000595913230	673338454	/nfs/dbraw/zinc/33/84/54/673338454.db2.gz	FFKOVDOKIJQHPL-CQSZACIVSA-N	1	1	363.483	2.310	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1	ZINC000595913230	673338459	/nfs/dbraw/zinc/33/84/59/673338459.db2.gz	FFKOVDOKIJQHPL-CQSZACIVSA-N	1	1	363.483	2.310	20	30		FEEDMO
N#Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)sc1Cl	ZINC000596136367	673362075	/nfs/dbraw/zinc/36/20/75/673362075.db2.gz	SZXFTNPPPHOZPX-UONOGXRCSA-N	1	1	362.886	2.963	20	30		FEEDMO
O=C(NCC[NH2+]Cc1csc(-c2ccccc2)n1)C1N=CC=CC1=O	ZINC000733333520	673410531	/nfs/dbraw/zinc/41/05/31/673410531.db2.gz	OVGRJPCTNCMVQA-MSUUIHNZSA-N	1	1	354.435	2.426	20	30		FEEDMO
COc1cc([N+](=O)[O-])c(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1SC	ZINC000537901123	673413273	/nfs/dbraw/zinc/41/32/73/673413273.db2.gz	LYLRSBCGIXZHQR-UHFFFAOYSA-N	1	1	364.427	2.043	20	30		FEEDMO
CC(CCc1ccccc1F)=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000734091769	673452046	/nfs/dbraw/zinc/45/20/46/673452046.db2.gz	KAHNXVPURVJVNV-UHFFFAOYSA-N	1	1	366.506	2.321	20	30		FEEDMO
C=CCNC(=O)NC(=O)CN1CCC(CC[N@@H+](CC)CC(C)C)CC1	ZINC000540196983	673527178	/nfs/dbraw/zinc/52/71/78/673527178.db2.gz	GRQAYKJTTZIKGI-UHFFFAOYSA-N	1	1	352.523	2.078	20	30		FEEDMO
C=CCNC(=O)NC(=O)CN1CCC(CC[N@H+](CC)CC(C)C)CC1	ZINC000540196983	673527179	/nfs/dbraw/zinc/52/71/79/673527179.db2.gz	GRQAYKJTTZIKGI-UHFFFAOYSA-N	1	1	352.523	2.078	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](O)CC(C)(C)C#N	ZINC000598589897	673587286	/nfs/dbraw/zinc/58/72/86/673587286.db2.gz	MTDJKDVMIXCIDB-GFCCVEGCSA-N	1	1	369.263	2.015	20	30		FEEDMO
C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H](O)CC(C)(C)C#N	ZINC000598589897	673587289	/nfs/dbraw/zinc/58/72/89/673587289.db2.gz	MTDJKDVMIXCIDB-GFCCVEGCSA-N	1	1	369.263	2.015	20	30		FEEDMO
C[C@@H]1CC(=NNS(=O)(=O)c2ccc(Br)cc2)CC[N@H+]1C	ZINC000741451261	673687288	/nfs/dbraw/zinc/68/72/88/673687288.db2.gz	FAMXROAQBWNWLY-SNVBAGLBSA-N	1	1	360.277	2.198	20	30		FEEDMO
CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1	ZINC000742280375	673718230	/nfs/dbraw/zinc/71/82/30/673718230.db2.gz	QPQOOCPYWBWNBS-UHFFFAOYSA-N	1	1	353.463	2.440	20	30		FEEDMO
C[C@H]1C[NH+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C[C@H](C)S1	ZINC000743377082	673757391	/nfs/dbraw/zinc/75/73/91/673757391.db2.gz	MWNAGQIPUMQHOE-KBPBESRZSA-N	1	1	358.467	2.106	20	30		FEEDMO
Cc1cc(C)c(C[S@](=O)CC(=O)NCc2ccc(C#N)cc2)c(C)[nH+]1	ZINC000600935267	673811182	/nfs/dbraw/zinc/81/11/82/673811182.db2.gz	NHTNGZYKDJHBIY-VWLOTQADSA-N	1	1	355.463	2.444	20	30		FEEDMO
N#Cc1c(F)cccc1C[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1	ZINC000602016591	673901286	/nfs/dbraw/zinc/90/12/86/673901286.db2.gz	HLJHMHPXSOXXOR-IAGOWNOFSA-N	1	1	351.447	2.180	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H]([N@@H+]2CCC[C@H](n3ccnn3)CC2)C1=O	ZINC000602891834	673913184	/nfs/dbraw/zinc/91/31/84/673913184.db2.gz	JOZMYYMZIUTITJ-GJZGRUSLSA-N	1	1	356.455	2.044	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H]([N@H+]2CCC[C@H](n3ccnn3)CC2)C1=O	ZINC000602891834	673913185	/nfs/dbraw/zinc/91/31/85/673913185.db2.gz	JOZMYYMZIUTITJ-GJZGRUSLSA-N	1	1	356.455	2.044	20	30		FEEDMO
CC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(CC(F)(F)F)C1	ZINC000602892051	673913226	/nfs/dbraw/zinc/91/32/26/673913226.db2.gz	LLIQFKHFLXGIQP-OAHLLOKOSA-N	1	1	354.376	2.455	20	30		FEEDMO
CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCN(CC(F)(F)F)C1	ZINC000602892051	673913227	/nfs/dbraw/zinc/91/32/27/673913227.db2.gz	LLIQFKHFLXGIQP-OAHLLOKOSA-N	1	1	354.376	2.455	20	30		FEEDMO
CC(C)[C@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1	ZINC000566393759	675210334	/nfs/dbraw/zinc/21/03/34/675210334.db2.gz	GAIWQELXBMEKRD-IRXDYDNUSA-N	1	1	360.527	2.435	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C	ZINC000818589098	675226441	/nfs/dbraw/zinc/22/64/41/675226441.db2.gz	QKDAYELUXZXQPO-UHFFFAOYSA-N	1	1	366.487	2.483	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000818606159	675228204	/nfs/dbraw/zinc/22/82/04/675228204.db2.gz	FNLUUVJGONTSFV-UHFFFAOYSA-N	1	1	353.806	2.088	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccccc1SCc1nc(C)no1	ZINC000818611841	675228431	/nfs/dbraw/zinc/22/84/31/675228431.db2.gz	FLHCDZVFLCNNDX-UHFFFAOYSA-N	1	1	358.467	2.355	20	30		FEEDMO
C#C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccc(Cl)cc1F	ZINC000820751202	675385326	/nfs/dbraw/zinc/38/53/26/675385326.db2.gz	UVKGQNNGCAOWMO-WMLDXEAASA-N	1	1	367.852	2.299	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)NCCCC[N@@H+](C)C2CC2)c1	ZINC000822272424	675475460	/nfs/dbraw/zinc/47/54/60/675475460.db2.gz	PTLYXVAPCGFBBK-UHFFFAOYSA-N	1	1	362.495	2.088	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1	ZINC000824976353	675631410	/nfs/dbraw/zinc/63/14/10/675631410.db2.gz	AQELXYWIHJIWGI-IBGZPJMESA-N	1	1	361.511	2.437	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1	ZINC000824976353	675631412	/nfs/dbraw/zinc/63/14/12/675631412.db2.gz	AQELXYWIHJIWGI-IBGZPJMESA-N	1	1	361.511	2.437	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2c(Cl)nc3cc(Cl)ccn32)CC1	ZINC000825077985	675635817	/nfs/dbraw/zinc/63/58/17/675635817.db2.gz	OOEVUBYKTGMHPW-UHFFFAOYSA-N	1	1	351.237	2.422	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000620634175	676423659	/nfs/dbraw/zinc/42/36/59/676423659.db2.gz	JNYVTBPULGUFQB-JKSUJKDBSA-N	1	1	351.516	2.134	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[NH2+][C@@H](CO)c2cnn(C)c2)cc1OC	ZINC000623474582	676536785	/nfs/dbraw/zinc/53/67/85/676536785.db2.gz	HIANICNSCFEZBG-HNNXBMFYSA-N	1	1	351.834	2.470	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[NH2+][C@H](CO)c2ccnn2C)cc1OC	ZINC000623547023	676540302	/nfs/dbraw/zinc/54/03/02/676540302.db2.gz	DULHATYPIBYWGO-CQSZACIVSA-N	1	1	351.834	2.470	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl	ZINC000838623206	680706769	/nfs/dbraw/zinc/70/67/69/680706769.db2.gz	UYODEWNIHQPTCR-WBMJQRKESA-N	1	1	355.841	2.155	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000652588448	677494886	/nfs/dbraw/zinc/49/48/86/677494886.db2.gz	JYQJHMYRFRSDFF-KSZLIROESA-N	1	1	361.511	2.247	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000652588448	677494887	/nfs/dbraw/zinc/49/48/87/677494887.db2.gz	JYQJHMYRFRSDFF-KSZLIROESA-N	1	1	361.511	2.247	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1=O	ZINC000840061564	680795781	/nfs/dbraw/zinc/79/57/81/680795781.db2.gz	CURQGNRYYFUNMV-UHFFFAOYSA-N	1	1	350.413	2.358	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)C1=O	ZINC000840061564	680795782	/nfs/dbraw/zinc/79/57/82/680795782.db2.gz	CURQGNRYYFUNMV-UHFFFAOYSA-N	1	1	350.413	2.358	20	30		FEEDMO
C=C(Br)CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1	ZINC000974606490	679963505	/nfs/dbraw/zinc/96/35/05/679963505.db2.gz	PUGQHZQUEXHNTD-MGPQQGTHSA-N	1	1	358.324	2.062	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1	ZINC000975224322	680023226	/nfs/dbraw/zinc/02/32/26/680023226.db2.gz	OKLNOBJGSQHVAN-FVQBIDKESA-N	1	1	367.921	2.166	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCOCC2)C1	ZINC001017212364	680072823	/nfs/dbraw/zinc/07/28/23/680072823.db2.gz	KEXIWDSMEFIRSB-OTWHNJEPSA-N	1	1	350.503	2.175	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@]12CCC[C@H]1[N@@H+](CCc1ccns1)CC2	ZINC000992242440	680097757	/nfs/dbraw/zinc/09/77/57/680097757.db2.gz	RNKDLLUSTGWVLL-SFNKJDCFSA-N	1	1	361.511	2.390	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cnc(C)s3)C[C@H]21	ZINC000978843637	680181679	/nfs/dbraw/zinc/18/16/79/680181679.db2.gz	UAZKQYQIRLGYMS-TXTZMMAHSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2csnn2)C1	ZINC000983697291	680321961	/nfs/dbraw/zinc/32/19/61/680321961.db2.gz	FIUCQWRQCYWHNE-PAURTPPISA-N	1	1	350.488	2.065	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)s1	ZINC001028039621	680368243	/nfs/dbraw/zinc/36/82/43/680368243.db2.gz	NXXNLVHWRUYEAB-LTUQZUHASA-N	1	1	357.479	2.124	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)s1	ZINC001028039621	680368246	/nfs/dbraw/zinc/36/82/46/680368246.db2.gz	NXXNLVHWRUYEAB-LTUQZUHASA-N	1	1	357.479	2.124	20	30		FEEDMO
C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC000998065850	680374224	/nfs/dbraw/zinc/37/42/24/680374224.db2.gz	IRCSJNGAKMEDSP-CADBVGFASA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCOC2CCC2)C1	ZINC001028856016	680385020	/nfs/dbraw/zinc/38/50/20/680385020.db2.gz	UPIZHIFHSKRKCV-WDSOQIARSA-N	1	1	350.503	2.365	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@H]1CNc1cccc(S(N)(=O)=O)c1C#N	ZINC000754991389	680392800	/nfs/dbraw/zinc/39/28/00/680392800.db2.gz	PUXCOUWMIBYVLV-AWEZNQCLSA-N	1	1	350.488	2.272	20	30		FEEDMO
C[N@H+](Cc1ccc(C#N)s1)CC1CCN(C(=O)[C@]23C[C@H]2COC3)CC1	ZINC001029966891	680395475	/nfs/dbraw/zinc/39/54/75/680395475.db2.gz	KVZANWMFSNSSKK-KXBFYZLASA-N	1	1	359.495	2.327	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2nnc(C)s2)CC1	ZINC001029998120	680396628	/nfs/dbraw/zinc/39/66/28/680396628.db2.gz	LODVMRIXHWMCRA-CVEARBPZSA-N	1	1	364.515	2.108	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2nnc(C)s2)CC1	ZINC001029998120	680396632	/nfs/dbraw/zinc/39/66/32/680396632.db2.gz	LODVMRIXHWMCRA-CVEARBPZSA-N	1	1	364.515	2.108	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)NC2CN(CC#Cc3cccc(Cl)c3)C2)CC[N@H+]1C	ZINC001030339490	680398191	/nfs/dbraw/zinc/39/81/91/680398191.db2.gz	WIPMWQOEZLTNJI-RBUKOAKNSA-N	1	1	359.901	2.222	20	30		FEEDMO
C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1	ZINC000999413579	680402834	/nfs/dbraw/zinc/40/28/34/680402834.db2.gz	RXEBWEYMHWIXNR-JHJVBQTASA-N	1	1	353.264	2.002	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(OC)cc1C(F)(F)F	ZINC000836269691	680442833	/nfs/dbraw/zinc/44/28/33/680442833.db2.gz	GMOYSVAAGXHBRB-UHFFFAOYSA-N	1	1	357.376	2.468	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCc2cccs2)CCO1	ZINC001035370109	680445012	/nfs/dbraw/zinc/44/50/12/680445012.db2.gz	HRJCSEHWOOMARD-JQHSSLGASA-N	1	1	364.511	2.089	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCc2cccs2)CCO1	ZINC001035370109	680445014	/nfs/dbraw/zinc/44/50/14/680445014.db2.gz	HRJCSEHWOOMARD-JQHSSLGASA-N	1	1	364.511	2.089	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCCCC2)CCO1	ZINC001035371317	680445023	/nfs/dbraw/zinc/44/50/23/680445023.db2.gz	ZWZIZPMSHWUGMM-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2ncc(Cl)n2C)CC1	ZINC000985665923	680468314	/nfs/dbraw/zinc/46/83/14/680468314.db2.gz	AQHJRLDVUQXOMI-CABCVRRESA-N	1	1	366.893	2.087	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2ncc(Cl)n2C)CC1	ZINC000985665923	680468315	/nfs/dbraw/zinc/46/83/15/680468315.db2.gz	AQHJRLDVUQXOMI-CABCVRRESA-N	1	1	366.893	2.087	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC[C@@H]2CCCO2)CC1	ZINC000985695223	680471561	/nfs/dbraw/zinc/47/15/61/680471561.db2.gz	VEROBZZLLITGJI-FHWLQOOXSA-N	1	1	350.503	2.460	20	30		FEEDMO
C=C(Br)CN1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1	ZINC001041296512	680503498	/nfs/dbraw/zinc/50/34/98/680503498.db2.gz	IBBYLAMYUUQNGO-BFYDXBDKSA-N	1	1	370.335	2.160	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(OC)ns2)CC1	ZINC001002849063	680510334	/nfs/dbraw/zinc/51/03/34/680510334.db2.gz	OFJXFYGRFXSFTK-CVEARBPZSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1	ZINC001004577905	680560723	/nfs/dbraw/zinc/56/07/23/680560723.db2.gz	UTHKUPWJNRERCY-FHWLQOOXSA-N	1	1	350.503	2.053	20	30		FEEDMO
Cc1nsc(N[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C)c1C#N	ZINC001043326284	680574405	/nfs/dbraw/zinc/57/44/05/680574405.db2.gz	CZNUAFMQBQDYNJ-WQVCFCJDSA-N	1	1	361.515	2.455	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1	ZINC001043511860	680585164	/nfs/dbraw/zinc/58/51/64/680585164.db2.gz	LGFYIGPXSIMDGK-NQBHXWOUSA-N	1	1	367.906	2.411	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC001006180868	680597787	/nfs/dbraw/zinc/59/77/87/680597787.db2.gz	AXEODEBTUMINQL-UHOFOFEASA-N	1	1	369.937	2.459	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C2	ZINC001045967144	680642760	/nfs/dbraw/zinc/64/27/60/680642760.db2.gz	NDWDGEDWHTVHQL-JTDSTZFVSA-N	1	1	367.921	2.345	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)CC2)C1	ZINC001046047200	680643150	/nfs/dbraw/zinc/64/31/50/680643150.db2.gz	MCMABXPNEZMFQO-KSZLIROESA-N	1	1	351.922	2.394	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)C[C@@H]3C[C@H]3C3CC3)CC2)C1	ZINC001046047200	680643153	/nfs/dbraw/zinc/64/31/53/680643153.db2.gz	MCMABXPNEZMFQO-KSZLIROESA-N	1	1	351.922	2.394	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000837771047	680646644	/nfs/dbraw/zinc/64/66/44/680646644.db2.gz	BGFIYHTTYPORMI-GJZGRUSLSA-N	1	1	358.404	2.292	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000837771047	680646645	/nfs/dbraw/zinc/64/66/45/680646645.db2.gz	BGFIYHTTYPORMI-GJZGRUSLSA-N	1	1	358.404	2.292	20	30		FEEDMO
C[C@H](CCC#N)[NH+]1CCC(n2nncc2I)CC1	ZINC000852532368	682296776	/nfs/dbraw/zinc/29/67/76/682296776.db2.gz	JCGTZZAQACWSTP-SNVBAGLBSA-N	1	1	359.215	2.212	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2ccc(OC)c(OC)c2Cl)CC1	ZINC000769025342	680968293	/nfs/dbraw/zinc/96/82/93/680968293.db2.gz	LVKNLWMFFYECDG-UHFFFAOYSA-N	1	1	350.846	2.319	20	30		FEEDMO
C=C(Br)C[NH+]1CCC2(CN(C(=O)[C@H]3OCC[C@H]3C)C2)CC1	ZINC001050668716	681053204	/nfs/dbraw/zinc/05/32/04/681053204.db2.gz	AQCDXEONZNZLAA-OCCSQVGLSA-N	1	1	357.292	2.244	20	30		FEEDMO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C3)c1C#N	ZINC001055448621	681136087	/nfs/dbraw/zinc/13/60/87/681136087.db2.gz	AIPAFZGFKJRPSI-ZCDTZLGTSA-N	1	1	359.499	2.033	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)c3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001057052910	681158426	/nfs/dbraw/zinc/15/84/26/681158426.db2.gz	RZNQVBWWHPNQDA-IJLUTSLNSA-N	1	1	367.906	2.045	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)c3snc(C)c3C#N)C2)CC[N@H+]1C	ZINC001057052495	681158471	/nfs/dbraw/zinc/15/84/71/681158471.db2.gz	HVQGKAIBXAYQJS-IJEWVQPXSA-N	1	1	361.515	2.091	20	30		FEEDMO
COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000773966254	681162485	/nfs/dbraw/zinc/16/24/85/681162485.db2.gz	WDWJGNIROBDSEM-WMLDXEAASA-N	1	1	368.861	2.088	20	30		FEEDMO
COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1	ZINC000773966254	681162488	/nfs/dbraw/zinc/16/24/88/681162488.db2.gz	WDWJGNIROBDSEM-WMLDXEAASA-N	1	1	368.861	2.088	20	30		FEEDMO
C#CCNC(=S)NCCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1	ZINC000774562897	681204324	/nfs/dbraw/zinc/20/43/24/681204324.db2.gz	BFMGUYCMGNUTMI-CALCHBBNSA-N	1	1	359.539	2.293	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+](CCOCCC#N)CCO2	ZINC000932709025	681293314	/nfs/dbraw/zinc/29/33/14/681293314.db2.gz	AIXFOKKSZJSUHH-UHFFFAOYSA-N	1	1	353.463	2.019	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+](CCOCCC#N)CCO2	ZINC000932709025	681293319	/nfs/dbraw/zinc/29/33/19/681293319.db2.gz	AIXFOKKSZJSUHH-UHFFFAOYSA-N	1	1	353.463	2.019	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(Cc2cc(Cl)ccc2OCC#N)[C@@H](C)C1	ZINC000775560760	681314616	/nfs/dbraw/zinc/31/46/16/681314616.db2.gz	IILSRJBXAFXZBK-AWEZNQCLSA-N	1	1	365.861	2.312	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)c1ccc(F)cc1Cl	ZINC000775643662	681321035	/nfs/dbraw/zinc/32/10/35/681321035.db2.gz	VJHWMKILUDZEQC-HNNXBMFYSA-N	1	1	351.813	2.254	20	30		FEEDMO
O=C1C[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CN1	ZINC000932943955	681332411	/nfs/dbraw/zinc/33/24/11/681332411.db2.gz	LPUNJTJLMOSGHQ-PRJMDXOYSA-N	1	1	366.252	2.225	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1ccccc1C(F)(F)F	ZINC000933248056	681380368	/nfs/dbraw/zinc/38/03/68/681380368.db2.gz	RDCMZGVBTXULPU-HOCLYGCPSA-N	1	1	357.376	2.383	20	30		FEEDMO
O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)N1CCC[C@@H](C(F)(F)F)C1	ZINC000933648694	681445660	/nfs/dbraw/zinc/44/56/60/681445660.db2.gz	GXNZSFXRPUVHIU-CYBMUJFWSA-N	1	1	360.376	2.125	20	30		FEEDMO
C=CCCC[N@H+](CC)CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1	ZINC000934648430	681605945	/nfs/dbraw/zinc/60/59/45/681605945.db2.gz	OYQTVXQWVKUDQN-UHFFFAOYSA-N	1	1	353.488	2.130	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1	ZINC000935430128	681748799	/nfs/dbraw/zinc/74/87/99/681748799.db2.gz	UYRDTWFLJXSMPD-QGZVFWFLSA-N	1	1	362.495	2.086	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c1	ZINC000935430128	681748806	/nfs/dbraw/zinc/74/88/06/681748806.db2.gz	UYRDTWFLJXSMPD-QGZVFWFLSA-N	1	1	362.495	2.086	20	30		FEEDMO
CNS(=O)(=O)c1ccc(-c2ccc(C=NNc3cc[nH+]cc3)o2)cc1	ZINC000779807369	681755255	/nfs/dbraw/zinc/75/52/55/681755255.db2.gz	SXGMJRKIIPXKOO-UHFFFAOYSA-N	1	1	356.407	2.118	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1nnc(C)s1	ZINC000960010234	682019874	/nfs/dbraw/zinc/01/98/74/682019874.db2.gz	HEAJHKYOFNIULN-XHSDSOJGSA-N	1	1	364.515	2.298	20	30		FEEDMO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CC[NH+]2CCOCC2)n1	ZINC000782842618	682086470	/nfs/dbraw/zinc/08/64/70/682086470.db2.gz	SRVPURODIAOCNR-UHFFFAOYSA-N	1	1	359.817	2.058	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1cnsn1)C2	ZINC000965424511	682190071	/nfs/dbraw/zinc/19/00/71/682190071.db2.gz	KLWLWDFJVDLPQP-YRJJUTJMSA-N	1	1	362.499	2.036	20	30		FEEDMO
CC(CCc1ccc(F)cc1)=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000917535397	685532784	/nfs/dbraw/zinc/53/27/84/685532784.db2.gz	CHUZKBCSEGMJGI-UHFFFAOYSA-N	1	1	366.506	2.321	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1	ZINC000917654587	685533540	/nfs/dbraw/zinc/53/35/40/685533540.db2.gz	HNSPHENXPDYPET-STQMWFEESA-N	1	1	373.400	2.482	20	30		FEEDMO
C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308500	682257883	/nfs/dbraw/zinc/25/78/83/682257883.db2.gz	GNQHWMVRFKSPGL-GOSISDBHSA-N	1	1	352.479	2.030	20	30		FEEDMO
C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852308500	682257885	/nfs/dbraw/zinc/25/78/85/682257885.db2.gz	GNQHWMVRFKSPGL-GOSISDBHSA-N	1	1	352.479	2.030	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000786433036	682374080	/nfs/dbraw/zinc/37/40/80/682374080.db2.gz	SHHURYAWGNHIOT-UHFFFAOYSA-N	1	1	364.877	2.065	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C	ZINC000786457358	682375848	/nfs/dbraw/zinc/37/58/48/682375848.db2.gz	OHUNPFWBAHDWTN-ARFHVFGLSA-N	1	1	350.459	2.273	20	30		FEEDMO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1	ZINC000853347164	682407467	/nfs/dbraw/zinc/40/74/67/682407467.db2.gz	FWZZRKASDOYUSR-HOTGVXAUSA-N	1	1	351.491	2.093	20	30		FEEDMO
CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C)C1	ZINC000855360508	682661463	/nfs/dbraw/zinc/66/14/63/682661463.db2.gz	GMVAFXFOPCDWAI-GJZGRUSLSA-N	1	1	352.479	2.126	20	30		FEEDMO
C=CC[N@H+](CCOC)CC1(O)C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C	ZINC000856738233	682802036	/nfs/dbraw/zinc/80/20/36/682802036.db2.gz	LUMXCNAAWNWNQP-MCPYQZEQSA-N	1	1	354.491	2.414	20	30		FEEDMO
C[N@@H+]1CCN(Cc2cc(C#N)cs2)[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000793603435	682898768	/nfs/dbraw/zinc/89/87/68/682898768.db2.gz	ICXNWYKDPPOLPS-CQSZACIVSA-N	1	1	350.488	2.260	20	30		FEEDMO
C[N@H+]1CCN(Cc2cc(C#N)cs2)[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000793603435	682898772	/nfs/dbraw/zinc/89/87/72/682898772.db2.gz	ICXNWYKDPPOLPS-CQSZACIVSA-N	1	1	350.488	2.260	20	30		FEEDMO
C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](CS(C)(=O)=O)C2)c1O	ZINC000793702372	682904829	/nfs/dbraw/zinc/90/48/29/682904829.db2.gz	YJYOAPVBCZCDLL-AWEZNQCLSA-N	1	1	353.484	2.386	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(Br)c(F)c1F	ZINC000858493403	682972875	/nfs/dbraw/zinc/97/28/75/682972875.db2.gz	TUAAHQJGCUUTJV-UHFFFAOYSA-N	1	1	374.229	2.482	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)C2(C(=O)OC(C)(C)C)CCSCC2)CC1	ZINC000859003251	683024769	/nfs/dbraw/zinc/02/47/69/683024769.db2.gz	IZLQJSLNIFWSMR-UHFFFAOYSA-N	1	1	366.527	2.009	20	30		FEEDMO
CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3sccc3CC#N)C2)[C@H]1C(C)C	ZINC000926264255	683100816	/nfs/dbraw/zinc/10/08/16/683100816.db2.gz	FLGGUFHUHVEJNB-LFEHRJTNSA-N	1	1	361.511	2.414	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cnn(Cc3ccccc3)c2Cl)CC1	ZINC000796230061	683143747	/nfs/dbraw/zinc/14/37/47/683143747.db2.gz	QAKWMFBNFGGJCI-UHFFFAOYSA-N	1	1	357.845	2.303	20	30		FEEDMO
C=C[C@H](C(=O)OC)[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)OC(C)(C)C)C1	ZINC000860040319	683192408	/nfs/dbraw/zinc/19/24/08/683192408.db2.gz	NGBBAOUDKWQHBB-GVRJEKJASA-N	1	1	350.459	2.291	20	30		FEEDMO
C=C[C@H](C(=O)OC)[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)OC(C)(C)C)C1	ZINC000860040319	683192409	/nfs/dbraw/zinc/19/24/09/683192409.db2.gz	NGBBAOUDKWQHBB-GVRJEKJASA-N	1	1	350.459	2.291	20	30		FEEDMO
N#Cc1c(NC[C@H]2CCC[N@H+]2C2CCCCC2)cccc1S(N)(=O)=O	ZINC000797840048	683279935	/nfs/dbraw/zinc/27/99/35/683279935.db2.gz	FIMZISMFJYUNOX-OAHLLOKOSA-N	1	1	362.499	2.415	20	30		FEEDMO
CC(C)(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000927845631	683323733	/nfs/dbraw/zinc/32/37/33/683323733.db2.gz	YIPDDWNRNHEZNB-UHFFFAOYSA-N	1	1	351.491	2.141	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C)[C@@H]2CNC(=O)OC(C)(C)C)C1=O	ZINC000799124918	683425312	/nfs/dbraw/zinc/42/53/12/683425312.db2.gz	BFQBRNKIJFDBSS-JYJNAYRXSA-N	1	1	351.491	2.399	20	30		FEEDMO
N#Cc1cc(C[NH2+]CCCCN2CCN(c3ncccn3)CC2)cs1	ZINC000921684427	683542556	/nfs/dbraw/zinc/54/25/56/683542556.db2.gz	ULEKHOAGSKYHDF-UHFFFAOYSA-N	1	1	356.499	2.102	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)o1	ZINC000862537547	683598435	/nfs/dbraw/zinc/59/84/35/683598435.db2.gz	CLHCQJCRVCLVME-HJPIBITLSA-N	1	1	353.344	2.382	20	30		FEEDMO
N#Cc1ccc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)cc1Cl	ZINC000922372862	683709291	/nfs/dbraw/zinc/70/92/91/683709291.db2.gz	ACJHHAXTPQDFFF-INIZCTEOSA-N	1	1	362.861	2.264	20	30		FEEDMO
C=CC[C@@H]1CC[N@H+](C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)C1	ZINC000931162395	683843377	/nfs/dbraw/zinc/84/33/77/683843377.db2.gz	ABOHYMREJWHWNW-CABCVRRESA-N	1	1	350.459	2.437	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000865007108	683922187	/nfs/dbraw/zinc/92/21/87/683922187.db2.gz	NACYAZOKESTFCR-JSGCOSHPSA-N	1	1	357.882	2.375	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)C1	ZINC000931578777	684306685	/nfs/dbraw/zinc/30/66/85/684306685.db2.gz	GLTASVBMEZHWTA-NWDGAFQWSA-N	1	1	360.405	2.452	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)C1	ZINC000931578777	684306687	/nfs/dbraw/zinc/30/66/87/684306687.db2.gz	GLTASVBMEZHWTA-NWDGAFQWSA-N	1	1	360.405	2.452	20	30		FEEDMO
COc1cc(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c(F)cc1C#N	ZINC000931983719	684382286	/nfs/dbraw/zinc/38/22/86/684382286.db2.gz	JVAADDOYRIUVDU-HIFRSBDPSA-N	1	1	364.446	2.407	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC[C@@H]21	ZINC000867813314	684397283	/nfs/dbraw/zinc/39/72/83/684397283.db2.gz	UXYXSFKPDUHFGE-FZMZJTMJSA-N	1	1	373.400	2.292	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1	ZINC000868716298	684532243	/nfs/dbraw/zinc/53/22/43/684532243.db2.gz	CEMGYRHRPDABOL-RDBSUJKOSA-N	1	1	357.882	2.185	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](N2C(=O)N[C@@H](c3ccc(OC)c(Cl)c3)C2=O)C1	ZINC000925325486	684549657	/nfs/dbraw/zinc/54/96/57/684549657.db2.gz	LSZDLYOHGAZZQW-CJNGLKHVSA-N	1	1	361.829	2.039	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@@H](c3ccc(OC)c(Cl)c3)C2=O)C1	ZINC000925325486	684549662	/nfs/dbraw/zinc/54/96/62/684549662.db2.gz	LSZDLYOHGAZZQW-CJNGLKHVSA-N	1	1	361.829	2.039	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])c1nc(CC(=O)NCc2ccc(F)cc2F)no1	ZINC000872180524	684925341	/nfs/dbraw/zinc/92/53/41/684925341.db2.gz	QJXFSQIONZLIPH-LBPRGKRZSA-N	1	1	356.760	2.349	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1CC[N@H+]1CC	ZINC000910539677	685072649	/nfs/dbraw/zinc/07/26/49/685072649.db2.gz	IGICKWCNYCDVEK-GFCCVEGCSA-N	1	1	355.891	2.127	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1CC	ZINC000910539677	685072656	/nfs/dbraw/zinc/07/26/56/685072656.db2.gz	IGICKWCNYCDVEK-GFCCVEGCSA-N	1	1	355.891	2.127	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CCC(C[N@H+](CCO)C(C)C)CC2)s1	ZINC000910883355	685135187	/nfs/dbraw/zinc/13/51/87/685135187.db2.gz	ONHVYYPVLYMTRP-UHFFFAOYSA-N	1	1	366.531	2.296	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCN(CC)CC2)c(F)c1	ZINC000876783840	686268401	/nfs/dbraw/zinc/26/84/01/686268401.db2.gz	OQMBDLABICLIGI-MRXNPFEDSA-N	1	1	368.884	2.054	20	30		FEEDMO
N#Cc1cnc(Cl)c(CNCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1	ZINC000877191246	686337774	/nfs/dbraw/zinc/33/77/74/686337774.db2.gz	MMZMMVMWCVPFEM-GOSISDBHSA-N	1	1	356.857	2.463	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21	ZINC000879575781	686860258	/nfs/dbraw/zinc/86/02/58/686860258.db2.gz	OWORMDYGUMGIBS-BBRMVZONSA-N	1	1	358.511	2.463	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1Cl	ZINC000880583064	687062778	/nfs/dbraw/zinc/06/27/78/687062778.db2.gz	DIOCKMHHWLNERY-OAHLLOKOSA-N	1	1	363.845	2.014	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1Cl	ZINC000880583064	687062781	/nfs/dbraw/zinc/06/27/81/687062781.db2.gz	DIOCKMHHWLNERY-OAHLLOKOSA-N	1	1	363.845	2.014	20	30		FEEDMO
C#CCSCCNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1	ZINC000881136927	687112568	/nfs/dbraw/zinc/11/25/68/687112568.db2.gz	KGSBVHUIXNVESE-GOSISDBHSA-N	1	1	358.511	2.459	20	30		FEEDMO
N#CC1(C[C@H](O)C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)CCC1	ZINC000886171321	688210074	/nfs/dbraw/zinc/21/00/74/688210074.db2.gz	DJZVSCBESCWDSJ-LBPRGKRZSA-N	1	1	354.376	2.066	20	30		FEEDMO
C=CCOCC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1	ZINC000886883447	688331749	/nfs/dbraw/zinc/33/17/49/688331749.db2.gz	CKXQEYUMNNUVQC-HVEKOLDVSA-N	1	1	353.459	2.032	20	30		FEEDMO
C[N@@H+]1CCc2[nH]c3ccc(C(=O)NCc4nc(C#N)cs4)cc3c2C1	ZINC000887978683	688529573	/nfs/dbraw/zinc/52/95/73/688529573.db2.gz	DUPXVRUZBBJWRL-UHFFFAOYSA-N	1	1	351.435	2.414	20	30		FEEDMO
C[N@H+]1CCc2[nH]c3ccc(C(=O)NCc4nc(C#N)cs4)cc3c2C1	ZINC000887978683	688529578	/nfs/dbraw/zinc/52/95/78/688529578.db2.gz	DUPXVRUZBBJWRL-UHFFFAOYSA-N	1	1	351.435	2.414	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888415936	688608196	/nfs/dbraw/zinc/60/81/96/688608196.db2.gz	SNHAKVQGASJTTD-UHFFFAOYSA-N	1	1	371.894	2.490	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)Cc2cc(C#N)cs2)C1	ZINC000891598142	689081779	/nfs/dbraw/zinc/08/17/79/689081779.db2.gz	OUBOGCDSZQKAGP-HNNXBMFYSA-N	1	1	350.488	2.118	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N(C)Cc1cc(C#N)cs1)N1CC[NH+](C)CC1	ZINC000891752420	689101311	/nfs/dbraw/zinc/10/13/11/689101311.db2.gz	IRGKTBQTXCHSHO-KRWDZBQOSA-N	1	1	363.531	2.033	20	30		FEEDMO
Cn1nc2c(c1C[N@@H+]1CC[C@H](Oc3ccc(C#N)cn3)C1)CSCC2	ZINC000894840223	689606706	/nfs/dbraw/zinc/60/67/06/689606706.db2.gz	VTRYZQVDXWLURA-AWEZNQCLSA-N	1	1	355.467	2.129	20	30		FEEDMO
Cn1nc2c(c1C[N@H+]1CC[C@H](Oc3ccc(C#N)cn3)C1)CSCC2	ZINC000894840223	689606708	/nfs/dbraw/zinc/60/67/08/689606708.db2.gz	VTRYZQVDXWLURA-AWEZNQCLSA-N	1	1	355.467	2.129	20	30		FEEDMO
C[N@H+]1CCC[C@](O)(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000900071070	690468869	/nfs/dbraw/zinc/46/88/69/690468869.db2.gz	HLPBBTJZIBUOFN-KRWDZBQOSA-N	1	1	354.372	2.020	20	30		FEEDMO
C=CCC[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)[C@@]1(C)CCCCO1	ZINC000902792794	690808062	/nfs/dbraw/zinc/80/80/62/690808062.db2.gz	DIWCARWLFJGNGB-WSTZPKSXSA-N	1	1	351.535	2.457	20	30		FEEDMO
N#Cc1csc(C[NH2+]C[C@@H](O)COc2cccc(Br)c2)n1	ZINC000905655350	691157252	/nfs/dbraw/zinc/15/72/52/691157252.db2.gz	MFOBBGWVUHEQPN-GFCCVEGCSA-N	1	1	368.256	2.307	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[N@@H+](C)C(C)(C)C1	ZINC000909231571	691797918	/nfs/dbraw/zinc/79/79/18/691797918.db2.gz	CYGSYVUCPDFXNV-HNNXBMFYSA-N	1	1	351.495	2.109	20	30		FEEDMO
Cc1nc(C#N)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164839296	720584921	/nfs/dbraw/zinc/58/49/21/720584921.db2.gz	NDSMYJHYIGIUAS-QXAKKESOSA-N	1	1	365.485	2.231	20	30		FEEDMO
Cc1nc(C#N)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164839485	720643865	/nfs/dbraw/zinc/64/38/65/720643865.db2.gz	NKJSQFSSYPLJNZ-YTQUADARSA-N	1	1	365.485	2.231	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc(C4(C#N)CCC4)cn3)CC[C@H]2C1	ZINC001164862202	720854697	/nfs/dbraw/zinc/85/46/97/720854697.db2.gz	ZKIMBZPIMYIIHY-PKOBYXMFSA-N	1	1	370.497	2.200	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5c(C#N)c[nH]c5n4)C[C@H]3C2)cn1	ZINC001164773299	721147903	/nfs/dbraw/zinc/14/79/03/721147903.db2.gz	YBPNVZWBYRZPEN-NVXWUHKLSA-N	1	1	361.453	2.126	20	30		FEEDMO
Cc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cnc1C#N	ZINC001164912379	721548509	/nfs/dbraw/zinc/54/85/09/721548509.db2.gz	ZJXHWTNLUGLBPD-NVXWUHKLSA-N	1	1	353.401	2.138	20	30		FEEDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(C#N)c(C#N)n3)C[C@H]21	ZINC001165026288	721825846	/nfs/dbraw/zinc/82/58/46/721825846.db2.gz	OOLSGXQPPORLDI-WRWLIDTKSA-N	1	1	373.464	2.352	20	30		FEEDMO
Cc1ccc(C#N)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164982313	722105927	/nfs/dbraw/zinc/10/59/27/722105927.db2.gz	NKMIKTUPVATYIY-VQTJNVASSA-N	1	1	363.465	2.384	20	30		FEEDMO
C=CCOc1cccc(NC(=O)NC2CC[NH+](CC(=O)NCCC)CC2)c1	ZINC000056645673	210069946	/nfs/dbraw/zinc/06/99/46/210069946.db2.gz	HGAGCADGINXBNQ-UHFFFAOYSA-N	1	1	374.485	2.364	20	30		FEEDMO
C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc2cc(C#N)ccc2n1	ZINC000528134823	539733195	/nfs/dbraw/zinc/73/31/95/539733195.db2.gz	ZVCGJBFPOXXNES-FQEVSTJZSA-N	1	1	352.438	2.134	20	30		FEEDMO
C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc2cc(C#N)ccc2n1	ZINC000528134823	539733198	/nfs/dbraw/zinc/73/31/98/539733198.db2.gz	ZVCGJBFPOXXNES-FQEVSTJZSA-N	1	1	352.438	2.134	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(C(=O)C3CC3)CC2)cc1Cl	ZINC000024595679	539735740	/nfs/dbraw/zinc/73/57/40/539735740.db2.gz	PWMQCVPWBRKYHR-UHFFFAOYSA-N	1	1	360.845	2.094	20	30		FEEDMO
O=C1Nc2cccc(C(F)(F)F)c2C1=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1	ZINC000800815448	674077946	/nfs/dbraw/zinc/07/79/46/674077946.db2.gz	ZFLUTZYJOHBOLU-AOOOYVTPSA-N	1	1	351.332	2.222	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](CCOc2ccccc2)CC1	ZINC000032512207	539942410	/nfs/dbraw/zinc/94/24/10/539942410.db2.gz	DAYDXWYQMGJIIL-RXVVDRJESA-N	1	1	372.513	2.126	20	30		FEEDMO
CN(C(=O)C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1)C1CCCCC1	ZINC000041623606	540027410	/nfs/dbraw/zinc/02/74/10/540027410.db2.gz	NBWOQUUSOMAIOS-GOSISDBHSA-N	1	1	359.470	2.021	20	30		FEEDMO
CN(C(=O)C[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1)C1CCCCC1	ZINC000041623606	540027411	/nfs/dbraw/zinc/02/74/11/540027411.db2.gz	NBWOQUUSOMAIOS-GOSISDBHSA-N	1	1	359.470	2.021	20	30		FEEDMO
COc1ccc(CCNC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1OC	ZINC000046519101	540261248	/nfs/dbraw/zinc/26/12/48/540261248.db2.gz	YSHXONMOIGPXCS-UHFFFAOYSA-N	1	1	367.449	2.366	20	30		FEEDMO
COc1ccc(CCNC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC	ZINC000046519101	540261250	/nfs/dbraw/zinc/26/12/50/540261250.db2.gz	YSHXONMOIGPXCS-UHFFFAOYSA-N	1	1	367.449	2.366	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)[NH+]1CCN(C)CC1	ZINC000048131688	540346577	/nfs/dbraw/zinc/34/65/77/540346577.db2.gz	AMVHZGFGFRIAKM-LJQANCHMSA-N	1	1	374.554	2.180	20	30		FEEDMO
CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1	ZINC000050998431	540419091	/nfs/dbraw/zinc/41/90/91/540419091.db2.gz	DNOFDTYFPYBPAS-OAHLLOKOSA-N	1	1	374.510	2.479	20	30		FEEDMO
CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1	ZINC000050998431	540419093	/nfs/dbraw/zinc/41/90/93/540419093.db2.gz	DNOFDTYFPYBPAS-OAHLLOKOSA-N	1	1	374.510	2.479	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000052409180	540464975	/nfs/dbraw/zinc/46/49/75/540464975.db2.gz	YVZQBOGLFJOXHX-GOSISDBHSA-N	1	1	367.497	2.074	20	30		FEEDMO
COCCOc1ccc(CNC(=O)C[N@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000052580497	540474493	/nfs/dbraw/zinc/47/44/93/540474493.db2.gz	LSARHDUELZMPIS-UHFFFAOYSA-N	1	1	367.449	2.332	20	30		FEEDMO
COCCOc1ccc(CNC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000052580497	540474498	/nfs/dbraw/zinc/47/44/98/540474498.db2.gz	LSARHDUELZMPIS-UHFFFAOYSA-N	1	1	367.449	2.332	20	30		FEEDMO
C[C@H]1CCCN(C(=O)C2CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)C1	ZINC000052702082	540484595	/nfs/dbraw/zinc/48/45/95/540484595.db2.gz	PHRDUOSTUBMGQC-INIZCTEOSA-N	1	1	368.481	2.467	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C	ZINC000052842963	540492516	/nfs/dbraw/zinc/49/25/16/540492516.db2.gz	GYXUHYVLEMWSGU-AWEZNQCLSA-N	1	1	358.486	2.177	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1	ZINC000052931279	540500584	/nfs/dbraw/zinc/50/05/84/540500584.db2.gz	KEKXWHIGKRIHBG-KRWDZBQOSA-N	1	1	354.454	2.125	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cc1	ZINC000053721103	540551062	/nfs/dbraw/zinc/55/10/62/540551062.db2.gz	UBSIYTGIWBGRMI-UHFFFAOYSA-N	1	1	353.382	2.143	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cc1	ZINC000053721103	540551066	/nfs/dbraw/zinc/55/10/66/540551066.db2.gz	UBSIYTGIWBGRMI-UHFFFAOYSA-N	1	1	353.382	2.143	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000076299100	542257324	/nfs/dbraw/zinc/25/73/24/542257324.db2.gz	LWPHIQCFWIPVBH-CYBMUJFWSA-N	1	1	368.359	2.116	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](Cc2cc3c(cc2O)OCO3)CC1	ZINC000057104991	540768523	/nfs/dbraw/zinc/76/85/23/540768523.db2.gz	PHUJSWBGZQGDAO-UHFFFAOYSA-N	1	1	352.394	2.100	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000057552232	540802238	/nfs/dbraw/zinc/80/22/38/540802238.db2.gz	HEVLEGGMJBDTBQ-NTDBWNAOSA-N	1	1	371.481	2.426	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000057552232	540802241	/nfs/dbraw/zinc/80/22/41/540802241.db2.gz	HEVLEGGMJBDTBQ-NTDBWNAOSA-N	1	1	371.481	2.426	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCC[C@H](NC(C)=O)C1)[C@@H](C)c1ccc(C#N)cc1	ZINC000060469408	541113377	/nfs/dbraw/zinc/11/33/77/541113377.db2.gz	WLOSGZDXUOXYCA-KXBFYZLASA-N	1	1	356.470	2.068	20	30		FEEDMO
C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064634240	541213231	/nfs/dbraw/zinc/21/32/31/541213231.db2.gz	LIJIBFIDJZJUCY-KURKYZTESA-N	1	1	369.513	2.358	20	30		FEEDMO
C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064634240	541213234	/nfs/dbraw/zinc/21/32/34/541213234.db2.gz	LIJIBFIDJZJUCY-KURKYZTESA-N	1	1	369.513	2.358	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCCN(c3ncccc3C#N)CC2)cc1	ZINC000064633065	541213261	/nfs/dbraw/zinc/21/32/61/541213261.db2.gz	DSAJIEBTHWOZKV-UHFFFAOYSA-N	1	1	374.448	2.366	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000067414819	541459731	/nfs/dbraw/zinc/45/97/31/541459731.db2.gz	GFXDVJFFPBCVFH-CQSZACIVSA-N	1	1	374.510	2.285	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)CC1	ZINC000068444265	541593544	/nfs/dbraw/zinc/59/35/44/541593544.db2.gz	XGTJXGUDQBQBMI-UHFFFAOYSA-N	1	1	370.428	2.284	20	30		FEEDMO
Cc1ccn2ncc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2n1	ZINC000068721473	541622721	/nfs/dbraw/zinc/62/27/21/541622721.db2.gz	FLRMYQGBXLHFPZ-UHFFFAOYSA-N	1	1	374.448	2.258	20	30		FEEDMO
Cc1ccn2ncc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c2n1	ZINC000068721473	541622726	/nfs/dbraw/zinc/62/27/26/541622726.db2.gz	FLRMYQGBXLHFPZ-UHFFFAOYSA-N	1	1	374.448	2.258	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C	ZINC000069500699	541691470	/nfs/dbraw/zinc/69/14/70/541691470.db2.gz	FAKDNDXNOUSMDV-PKOBYXMFSA-N	1	1	359.470	2.189	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1	ZINC000069553670	541696630	/nfs/dbraw/zinc/69/66/30/541696630.db2.gz	HEUKEFHEVKIULT-KRWDZBQOSA-N	1	1	354.454	2.410	20	30		FEEDMO
CC[C@@H](CO)[NH+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1	ZINC000072797825	541867526	/nfs/dbraw/zinc/86/75/26/541867526.db2.gz	KKPMOYCOPHWYAX-KRWDZBQOSA-N	1	1	368.481	2.126	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1	ZINC000545197715	541899943	/nfs/dbraw/zinc/89/99/43/541899943.db2.gz	BZVGLDKYYGCOSK-INIZCTEOSA-N	1	1	367.457	2.299	20	30		FEEDMO
C[C@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(=O)NC1(C#N)CCCCC1	ZINC000073412678	541950474	/nfs/dbraw/zinc/95/04/74/541950474.db2.gz	YVBIZVMANNXVLD-HNNXBMFYSA-N	1	1	371.485	2.330	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)CC[NH+]2CCN(CC)CC2)cc1	ZINC000074350005	542072526	/nfs/dbraw/zinc/07/25/26/542072526.db2.gz	VVHFAZDPVUBJCZ-UHFFFAOYSA-N	1	1	358.486	2.360	20	30		FEEDMO
C[C@@H](NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1cccc(C#N)c1	ZINC000074918309	542135974	/nfs/dbraw/zinc/13/59/74/542135974.db2.gz	MTGGVTZMRNHAOR-YLJYHZDGSA-N	1	1	369.513	2.431	20	30		FEEDMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)C2(C#N)CCCC2)c1	ZINC000075579288	542189791	/nfs/dbraw/zinc/18/97/91/542189791.db2.gz	WXKUNNBDEQAKOW-UHFFFAOYSA-N	1	1	359.470	2.344	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1	ZINC000076343000	542264850	/nfs/dbraw/zinc/26/48/50/542264850.db2.gz	ZWIUODDJMVNPLY-UHFFFAOYSA-N	1	1	357.454	2.378	20	30		FEEDMO
C=CCCC[N@H+](C)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1	ZINC000076735710	542319448	/nfs/dbraw/zinc/31/94/48/542319448.db2.gz	MXDBYOLBMRTOBK-UHFFFAOYSA-N	1	1	359.518	2.455	20	30		FEEDMO
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCO[C@H](C)C#N)CC1	ZINC000801915638	674154701	/nfs/dbraw/zinc/15/47/01/674154701.db2.gz	UBCROKXOFAIQIY-RHSMWYFYSA-N	1	1	365.861	2.100	20	30		FEEDMO
C=CC[C@@H](C)NC(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000079856643	542545567	/nfs/dbraw/zinc/54/55/67/542545567.db2.gz	SPQMTVZMAAFDEE-MRXNPFEDSA-N	1	1	358.486	2.479	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1	ZINC000081625987	542669470	/nfs/dbraw/zinc/66/94/70/542669470.db2.gz	VFUIGRTYCIVRGV-UXHICEINSA-N	1	1	372.488	2.482	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000081625987	542669475	/nfs/dbraw/zinc/66/94/75/542669475.db2.gz	VFUIGRTYCIVRGV-UXHICEINSA-N	1	1	372.488	2.482	20	30		FEEDMO
C=CCc1ccc(OCC(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c(OC)c1	ZINC000090458504	542785078	/nfs/dbraw/zinc/78/50/78/542785078.db2.gz	PMSAVFNPBNGRKX-MSOLQXFVSA-N	1	1	374.481	2.172	20	30		FEEDMO
C=CCc1ccc(OCC(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c(OC)c1	ZINC000090458504	542785081	/nfs/dbraw/zinc/78/50/81/542785081.db2.gz	PMSAVFNPBNGRKX-MSOLQXFVSA-N	1	1	374.481	2.172	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[NH+]2CCN(c3ncccc3F)CC2)c1	ZINC000090630925	542787131	/nfs/dbraw/zinc/78/71/31/542787131.db2.gz	GQAKTVSHHPGNBD-UHFFFAOYSA-N	1	1	353.401	2.243	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)cc1OC	ZINC000091963890	542834262	/nfs/dbraw/zinc/83/42/62/542834262.db2.gz	ZUIKUEMLDUZICN-UHFFFAOYSA-N	1	1	368.499	2.116	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)Nc2cccc(CC[NH+]3CCCC3)c2)cn1	ZINC000093931047	542946216	/nfs/dbraw/zinc/94/62/16/542946216.db2.gz	BOGDQRFPMJIEGE-UHFFFAOYSA-N	1	1	356.451	2.392	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000103481571	543111361	/nfs/dbraw/zinc/11/13/61/543111361.db2.gz	HDVINMDHCCITQE-LBPRGKRZSA-N	1	1	361.467	2.322	20	30		FEEDMO
COc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)c(OC)c1	ZINC000104731902	543140578	/nfs/dbraw/zinc/14/05/78/543140578.db2.gz	BKWWGPHWXHPYBH-QGZVFWFLSA-N	1	1	356.422	2.447	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCCC[N@@H+]3CC)cc2C1=O	ZINC000110998303	543378486	/nfs/dbraw/zinc/37/84/86/543378486.db2.gz	YGZYNVMWKQWQPW-HNNXBMFYSA-N	1	1	355.438	2.073	20	30		FEEDMO
COc1ccc(OC)c(C[N@@H+](CCO)CCOc2ccccc2C#N)c1	ZINC000111271034	543391240	/nfs/dbraw/zinc/39/12/40/543391240.db2.gz	UEOZWJQWKNFTGH-UHFFFAOYSA-N	1	1	356.422	2.449	20	30		FEEDMO
C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000113259029	543479660	/nfs/dbraw/zinc/47/96/60/543479660.db2.gz	BKASIFHWPVPXHY-VXGBXAGGSA-N	1	1	371.890	2.294	20	30		FEEDMO
C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000113259029	543479662	/nfs/dbraw/zinc/47/96/62/543479662.db2.gz	BKASIFHWPVPXHY-VXGBXAGGSA-N	1	1	371.890	2.294	20	30		FEEDMO
CCS(=O)(=O)C[C@H](C)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000113003654	543472649	/nfs/dbraw/zinc/47/26/49/543472649.db2.gz	BSZBGMIRBDTFOZ-LBPRGKRZSA-N	1	1	371.890	2.295	20	30		FEEDMO
CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000113003654	543472651	/nfs/dbraw/zinc/47/26/51/543472651.db2.gz	BSZBGMIRBDTFOZ-LBPRGKRZSA-N	1	1	371.890	2.295	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)/C=C/c2ccc(OCC#N)cc2)CC1	ZINC000114378856	543512114	/nfs/dbraw/zinc/51/21/14/543512114.db2.gz	SKEKLEUPVLYDAM-JXMROGBWSA-N	1	1	370.497	2.136	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2OCC#N)[C@H](C)C1	ZINC000115273540	543557478	/nfs/dbraw/zinc/55/74/78/543557478.db2.gz	DGLHHNRLCRVWEK-AEFFLSMTSA-N	1	1	359.470	2.456	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)CNc2ccc(C#N)cc2)[C@H](C)C1	ZINC000115486666	543570374	/nfs/dbraw/zinc/57/03/74/543570374.db2.gz	FRBHIQVKHSFQEI-APWZRJJASA-N	1	1	358.486	2.223	20	30		FEEDMO
CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1	ZINC000115596126	543576672	/nfs/dbraw/zinc/57/66/72/543576672.db2.gz	KUGMRCPNQQLWJC-GOSISDBHSA-N	1	1	350.422	2.469	20	30		FEEDMO
CC(C)NC(=O)Nc1ccc(C[NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)cc1	ZINC000115596990	543576799	/nfs/dbraw/zinc/57/67/99/543576799.db2.gz	OMOUCNPDJGADAV-SFHVURJKSA-N	1	1	365.437	2.404	20	30		FEEDMO
COC(=O)[C@H](C)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1	ZINC000121090638	543689553	/nfs/dbraw/zinc/68/95/53/543689553.db2.gz	MGJAZJHAHMEHFL-OXQOHEQNSA-N	1	1	359.470	2.352	20	30		FEEDMO
CC(=O)N(C)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000119854347	543672614	/nfs/dbraw/zinc/67/26/14/543672614.db2.gz	VOTXPQJCWBHXAC-MRXNPFEDSA-N	1	1	356.470	2.264	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1C1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000121800736	543699791	/nfs/dbraw/zinc/69/97/91/543699791.db2.gz	CNRPIJXWNNVRAD-OAHLLOKOSA-N	1	1	354.454	2.166	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1	ZINC000120560730	543681766	/nfs/dbraw/zinc/68/17/66/543681766.db2.gz	GRNBZAQDQCBWMP-YJBOKZPZSA-N	1	1	357.454	2.133	20	30		FEEDMO
CCC[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)CC[N@H+]1CCOC	ZINC000121880489	543701008	/nfs/dbraw/zinc/70/10/08/543701008.db2.gz	KRIFZSTWQLIHEL-GOSISDBHSA-N	1	1	364.534	2.104	20	30		FEEDMO
COc1cc(C[NH+]2CCC(C#N)CC2)ccc1OCC(=O)N1CCCC1	ZINC000123689084	543777403	/nfs/dbraw/zinc/77/74/03/543777403.db2.gz	ULUSRUIPOQLQGM-UHFFFAOYSA-N	1	1	357.454	2.432	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2cc(C#N)ccc2C)cn1	ZINC000123516033	543766642	/nfs/dbraw/zinc/76/66/42/543766642.db2.gz	HZFCWTUNPHZBEW-UHFFFAOYSA-N	1	1	367.434	2.234	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000123993587	543795399	/nfs/dbraw/zinc/79/53/99/543795399.db2.gz	DRQUQCVOHQTGQF-HXUWFJFHSA-N	1	1	354.498	2.467	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[N@@H+]1C1CC1	ZINC000124070602	543799285	/nfs/dbraw/zinc/79/92/85/543799285.db2.gz	VZCJNNAVYHMURQ-CMPLNLGQSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[N@H+]1C1CC1	ZINC000124070602	543799288	/nfs/dbraw/zinc/79/92/88/543799288.db2.gz	VZCJNNAVYHMURQ-CMPLNLGQSA-N	1	1	373.400	2.481	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H](C)C1	ZINC000125647776	543893947	/nfs/dbraw/zinc/89/39/47/543893947.db2.gz	FYEBJMIGXKTTNU-IAQYHMDHSA-N	1	1	357.426	2.187	20	30		FEEDMO
C[C@]1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCCO1	ZINC000126970536	543965846	/nfs/dbraw/zinc/96/58/46/543965846.db2.gz	IGLHFXLHPUTNOW-HXUWFJFHSA-N	1	1	356.470	2.345	20	30		FEEDMO
C[C@@]1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCCO1	ZINC000126970787	543965939	/nfs/dbraw/zinc/96/59/39/543965939.db2.gz	IGLHFXLHPUTNOW-FQEVSTJZSA-N	1	1	356.470	2.345	20	30		FEEDMO
CCOc1cccc(N2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000127495259	543996930	/nfs/dbraw/zinc/99/69/30/543996930.db2.gz	XUUUYMMGNAVOQB-SFHVURJKSA-N	1	1	352.438	2.208	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1	ZINC000152506435	544662438	/nfs/dbraw/zinc/66/24/38/544662438.db2.gz	OWNLGYKEIXVUOH-RHSMWYFYSA-N	1	1	362.430	2.012	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1	ZINC000152506435	544662443	/nfs/dbraw/zinc/66/24/43/544662443.db2.gz	OWNLGYKEIXVUOH-RHSMWYFYSA-N	1	1	362.430	2.012	20	30		FEEDMO
C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1	ZINC000153046914	544726885	/nfs/dbraw/zinc/72/68/85/544726885.db2.gz	NAUBFGDNDJAAHK-OAHLLOKOSA-N	1	1	351.516	2.286	20	30		FEEDMO
C=CCCC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1	ZINC000152826764	544699873	/nfs/dbraw/zinc/69/98/73/544699873.db2.gz	VJBSHGKBDOMKEJ-UHFFFAOYSA-N	1	1	357.498	2.439	20	30		FEEDMO
C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153325384	544761654	/nfs/dbraw/zinc/76/16/54/544761654.db2.gz	WTMXQNLEZBFBRT-JTQLQIEISA-N	1	1	362.384	2.033	20	30		FEEDMO
C#CCSCCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1	ZINC000153934197	544841970	/nfs/dbraw/zinc/84/19/70/544841970.db2.gz	SLUKANLOCOWOLH-MRXNPFEDSA-N	1	1	361.511	2.073	20	30		FEEDMO
C#CCSCCNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1	ZINC000153934197	544841974	/nfs/dbraw/zinc/84/19/74/544841974.db2.gz	SLUKANLOCOWOLH-MRXNPFEDSA-N	1	1	361.511	2.073	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C	ZINC000154112074	544866198	/nfs/dbraw/zinc/86/61/98/544866198.db2.gz	OAFPVMLMAIMXHM-QGZVFWFLSA-N	1	1	372.513	2.423	20	30		FEEDMO
CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000155249240	545005741	/nfs/dbraw/zinc/00/57/41/545005741.db2.gz	RBZBXTWOPVLWFS-ZDUSSCGKSA-N	1	1	372.288	2.035	20	30		FEEDMO
CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000155249240	545005744	/nfs/dbraw/zinc/00/57/44/545005744.db2.gz	RBZBXTWOPVLWFS-ZDUSSCGKSA-N	1	1	372.288	2.035	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C	ZINC000190148867	328191066	/nfs/dbraw/zinc/19/10/66/328191066.db2.gz	LWIZMXOESOBCDU-AWEZNQCLSA-N	1	1	360.458	2.266	20	30		FEEDMO
Cn1cc(C[NH2+]CCCN2CCN(Cc3ccccc3)CC2)cc1C#N	ZINC000190752520	328230379	/nfs/dbraw/zinc/23/03/79/328230379.db2.gz	OEJACGPELWESGL-UHFFFAOYSA-N	1	1	351.498	2.194	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccnc(C#N)c2)C[C@H](C)O1	ZINC000192726171	328335866	/nfs/dbraw/zinc/33/58/66/328335866.db2.gz	JPSUEKHFIVAFJV-IYBDPMFKSA-N	1	1	364.449	2.492	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccnc(C#N)c2)C[C@H](C)O1	ZINC000192726171	328335867	/nfs/dbraw/zinc/33/58/67/328335867.db2.gz	JPSUEKHFIVAFJV-IYBDPMFKSA-N	1	1	364.449	2.492	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000193162499	328360353	/nfs/dbraw/zinc/36/03/53/328360353.db2.gz	FDMOXDKHWPLWDG-OAHLLOKOSA-N	1	1	373.501	2.147	20	30		FEEDMO
N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1	ZINC000079458927	325091417	/nfs/dbraw/zinc/09/14/17/325091417.db2.gz	WCFHABWVKSDIOI-OAHLLOKOSA-N	1	1	371.460	2.013	20	30		FEEDMO
Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c(F)c1	ZINC000089943188	325343823	/nfs/dbraw/zinc/34/38/23/325343823.db2.gz	QTAIDWVRQHCJKJ-GFCCVEGCSA-N	1	1	358.421	2.203	20	30		FEEDMO
COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H](Cc2[nH+]ccn2C)C1	ZINC000090003763	325349717	/nfs/dbraw/zinc/34/97/17/325349717.db2.gz	DVIAISONRRUIDR-APWZRJJASA-N	1	1	352.438	2.461	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1C#N	ZINC000119208185	326137814	/nfs/dbraw/zinc/13/78/14/326137814.db2.gz	BNWFQMVDUXKOMG-XJKSGUPXSA-N	1	1	370.453	2.025	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000119809827	326201117	/nfs/dbraw/zinc/20/11/17/326201117.db2.gz	CKXUCVHNHMWWOU-ZBFHGGJFSA-N	1	1	372.494	2.424	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000120466985	326260745	/nfs/dbraw/zinc/26/07/45/326260745.db2.gz	CJNVIBSBVHAUNR-GOEBONIOSA-N	1	1	372.469	2.225	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000121639875	326354181	/nfs/dbraw/zinc/35/41/81/326354181.db2.gz	AINWWYAXWFPUDS-MJGOQNOKSA-N	1	1	359.495	2.337	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1	ZINC000121712139	326360399	/nfs/dbraw/zinc/36/03/99/326360399.db2.gz	ZRLHMCJVVCELAC-HNNXBMFYSA-N	1	1	354.454	2.281	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000122383633	326394767	/nfs/dbraw/zinc/39/47/67/326394767.db2.gz	QUXHSLKUZOKNHH-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1S(=O)(=O)c1ccc(C#N)nc1	ZINC000122383633	326394768	/nfs/dbraw/zinc/39/47/68/326394768.db2.gz	QUXHSLKUZOKNHH-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
Cc1cccc(S(=O)(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1C#N	ZINC000128646970	326527519	/nfs/dbraw/zinc/52/75/19/326527519.db2.gz	SPDYBBAAMOBHCH-UHFFFAOYSA-N	1	1	358.467	2.244	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(OC[C@@H]2CCOC2)CC1	ZINC000131906722	326583832	/nfs/dbraw/zinc/58/38/32/326583832.db2.gz	XVIBZNUYRYOQIJ-NVXWUHKLSA-N	1	1	357.454	2.403	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1cccc(F)c1	ZINC000156159578	326819791	/nfs/dbraw/zinc/81/97/91/326819791.db2.gz	BZNHYKWAPLABBD-MRXNPFEDSA-N	1	1	365.405	2.418	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000163961371	327062003	/nfs/dbraw/zinc/06/20/03/327062003.db2.gz	DOXAKUPSYDHYNP-HNNXBMFYSA-N	1	1	353.463	2.191	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000165222743	327077056	/nfs/dbraw/zinc/07/70/56/327077056.db2.gz	SQSIKXHDNRSZFR-MRXNPFEDSA-N	1	1	367.490	2.485	20	30		FEEDMO
CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc(F)c(C#N)c1)C2	ZINC000173845595	327288506	/nfs/dbraw/zinc/28/85/06/327288506.db2.gz	FYUWSWBLKUDNPA-LSDHHAIUSA-N	1	1	351.447	2.333	20	30		FEEDMO
N#Cc1ccc(CNCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)o1	ZINC000174282815	327316931	/nfs/dbraw/zinc/31/69/31/327316931.db2.gz	KQULPBCDSQIPAK-UHFFFAOYSA-N	1	1	368.437	2.102	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(NC=O)cc3)CC2)cc1	ZINC000174486177	327330304	/nfs/dbraw/zinc/33/03/04/327330304.db2.gz	LHKIAACFJYBPQG-UHFFFAOYSA-N	1	1	362.433	2.475	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(NC=O)cc3)CC2)cc1	ZINC000174486177	327330306	/nfs/dbraw/zinc/33/03/06/327330306.db2.gz	LHKIAACFJYBPQG-UHFFFAOYSA-N	1	1	362.433	2.475	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C1	ZINC000264513192	329031403	/nfs/dbraw/zinc/03/14/03/329031403.db2.gz	LVEVDYZSXGFLLZ-QGZVFWFLSA-N	1	1	369.421	2.181	20	30		FEEDMO
N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(=O)c(O)co3)CC2)c1	ZINC000265542005	329137356	/nfs/dbraw/zinc/13/73/56/329137356.db2.gz	WRHMKVPMZDFYLG-UHFFFAOYSA-N	1	1	353.378	2.068	20	30		FEEDMO
Cn1cc[nH+]c1N1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1	ZINC000266041036	329184461	/nfs/dbraw/zinc/18/44/61/329184461.db2.gz	AQUXQDGHNOFQPX-UHFFFAOYSA-N	1	1	367.453	2.190	20	30		FEEDMO
CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H](C)C(=O)Nc1ccccc1C#N)CC2	ZINC000266076622	329187825	/nfs/dbraw/zinc/18/78/25/329187825.db2.gz	XVQBPKKWRGDUKW-FHLIZLRMSA-N	1	1	357.454	2.137	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000267289190	329310952	/nfs/dbraw/zinc/31/09/52/329310952.db2.gz	QWOBMMPFGCJPNF-KXBFYZLASA-N	1	1	370.478	2.142	20	30		FEEDMO
N#Cc1c(C[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cn2ccccc12	ZINC000275125078	330013065	/nfs/dbraw/zinc/01/30/65/330013065.db2.gz	QQLRLJBOKNVUNK-GFCCVEGCSA-N	1	1	350.344	2.311	20	30		FEEDMO
Cc1cccc(NC(=O)NC[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)n1	ZINC000328638947	524528713	/nfs/dbraw/zinc/52/87/13/524528713.db2.gz	PGKANTUMOBHPRJ-KBPBESRZSA-N	1	1	373.436	2.189	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2C#N)C1	ZINC000155476793	545531263	/nfs/dbraw/zinc/53/12/63/545531263.db2.gz	HQZSPDXCDYOGNC-AWEZNQCLSA-N	1	1	360.433	2.120	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1F	ZINC000156023638	545592376	/nfs/dbraw/zinc/59/23/76/545592376.db2.gz	LLQSVBKGZQDVOD-SCLBCKFNSA-N	1	1	370.428	2.111	20	30		FEEDMO
CC(C)C(=O)NCC[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000157645368	545764496	/nfs/dbraw/zinc/76/44/96/545764496.db2.gz	OORNUVKMRIWNPW-UHFFFAOYSA-N	1	1	350.850	2.244	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)c1ccccc1	ZINC000478141515	561160703	/nfs/dbraw/zinc/16/07/03/561160703.db2.gz	CUHSBCGCWFEUEI-SFHVURJKSA-N	1	1	361.442	2.420	20	30		FEEDMO
C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000159130533	545924021	/nfs/dbraw/zinc/92/40/21/545924021.db2.gz	IORWVJVNJOCEAT-YGRLFVJLSA-N	1	1	354.357	2.000	20	30		FEEDMO
C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000159130533	545924027	/nfs/dbraw/zinc/92/40/27/545924027.db2.gz	IORWVJVNJOCEAT-YGRLFVJLSA-N	1	1	354.357	2.000	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O	ZINC000159714506	545975670	/nfs/dbraw/zinc/97/56/70/545975670.db2.gz	GOXIVMWRAMRANO-RYRKJORJSA-N	1	1	359.470	2.423	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1	ZINC000160708390	546064594	/nfs/dbraw/zinc/06/45/94/546064594.db2.gz	MOHBCLGEUWHANF-HNNXBMFYSA-N	1	1	372.469	2.132	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)N2CCc3ccccc3C2)CC1	ZINC000171715384	546220272	/nfs/dbraw/zinc/22/02/72/546220272.db2.gz	BWMGZDLTOHFQKL-QGZVFWFLSA-N	1	1	356.514	2.383	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000171716203	546220535	/nfs/dbraw/zinc/22/05/35/546220535.db2.gz	LHFRGXSCFDJLKE-AWEZNQCLSA-N	1	1	368.474	2.145	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1	ZINC000172850451	546268538	/nfs/dbraw/zinc/26/85/38/546268538.db2.gz	HFNUOHKGUANKLH-XQNSMLJCSA-N	1	1	372.513	2.347	20	30		FEEDMO
CNC(=O)CC1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1	ZINC000175038875	546305780	/nfs/dbraw/zinc/30/57/80/546305780.db2.gz	ZAHXVZSCBAZDAF-UHFFFAOYSA-N	1	1	370.497	2.398	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(SCC#N)c3)CC2)cn1	ZINC000176050437	546396715	/nfs/dbraw/zinc/39/67/15/546396715.db2.gz	MMMSUTVIBCHZLZ-UHFFFAOYSA-N	1	1	369.494	2.384	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)c3cccc(SCC#N)c3)CC2)cn1	ZINC000176050437	546396719	/nfs/dbraw/zinc/39/67/19/546396719.db2.gz	MMMSUTVIBCHZLZ-UHFFFAOYSA-N	1	1	369.494	2.384	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000480695017	561214711	/nfs/dbraw/zinc/21/47/11/561214711.db2.gz	IQTANEQSSIIOLP-KBPBESRZSA-N	1	1	353.463	2.237	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000177451709	546621365	/nfs/dbraw/zinc/62/13/65/546621365.db2.gz	KTWINEWCNGNQRE-AUUYWEPGSA-N	1	1	361.417	2.346	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000177467934	546624872	/nfs/dbraw/zinc/62/48/72/546624872.db2.gz	YEYFEFWLFGGQGH-FQEVSTJZSA-N	1	1	357.454	2.435	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000178052195	546731150	/nfs/dbraw/zinc/73/11/50/546731150.db2.gz	ABXZNTNZLUSCEA-DYESRHJHSA-N	1	1	370.497	2.183	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000178052195	546731154	/nfs/dbraw/zinc/73/11/54/546731154.db2.gz	ABXZNTNZLUSCEA-DYESRHJHSA-N	1	1	370.497	2.183	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000178052208	546731839	/nfs/dbraw/zinc/73/18/39/546731839.db2.gz	ABXZNTNZLUSCEA-UTKZUKDTSA-N	1	1	370.497	2.183	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1	ZINC000178052208	546731841	/nfs/dbraw/zinc/73/18/41/546731841.db2.gz	ABXZNTNZLUSCEA-UTKZUKDTSA-N	1	1	370.497	2.183	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000178909243	546871755	/nfs/dbraw/zinc/87/17/55/546871755.db2.gz	BUUHHGDVWQANGP-VQIMIIECSA-N	1	1	366.465	2.281	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1	ZINC000179473336	546960366	/nfs/dbraw/zinc/96/03/66/546960366.db2.gz	OEQHVWNRIRRXIS-PKOBYXMFSA-N	1	1	362.433	2.367	20	30		FEEDMO
Cn1cc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c(-c2ccc(C#N)cc2)n1	ZINC000179950795	547032010	/nfs/dbraw/zinc/03/20/10/547032010.db2.gz	DUGDYAITBCEXOU-HXUWFJFHSA-N	1	1	365.481	2.255	20	30		FEEDMO
Cn1cc(C[NH2+]CCCCN2CCOCC2)c(-c2ccc(C#N)cc2)n1	ZINC000180053525	547044017	/nfs/dbraw/zinc/04/40/17/547044017.db2.gz	LVUILBWHVQFGDD-UHFFFAOYSA-N	1	1	353.470	2.161	20	30		FEEDMO
C=CC[NH+]1CCC(NC2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)CC1	ZINC000180628182	547144675	/nfs/dbraw/zinc/14/46/75/547144675.db2.gz	GJGKENXUVSHBGK-UHFFFAOYSA-N	1	1	366.502	2.278	20	30		FEEDMO
C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCC1)c1ccc(Br)cn1	ZINC000482993825	561264582	/nfs/dbraw/zinc/26/45/82/561264582.db2.gz	YRWRVLYHBIJFCS-MNOVXSKESA-N	1	1	351.248	2.446	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1	ZINC000180920816	547210076	/nfs/dbraw/zinc/21/00/76/547210076.db2.gz	SERGECLUDLUWMH-QGZVFWFLSA-N	1	1	373.497	2.361	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000181881638	547398290	/nfs/dbraw/zinc/39/82/90/547398290.db2.gz	DAEUFQWSCMPIFN-JKSUJKDBSA-N	1	1	372.469	2.106	20	30		FEEDMO
CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2OC)c1	ZINC000181919249	547405440	/nfs/dbraw/zinc/40/54/40/547405440.db2.gz	FIJDJBHNKODKMZ-ZDUSSCGKSA-N	1	1	359.451	2.326	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCOCc1ccccc1	ZINC000182461008	547497881	/nfs/dbraw/zinc/49/78/81/547497881.db2.gz	XJNBEYNPHMVDAM-QGZVFWFLSA-N	1	1	351.454	2.466	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC(CCC[NH+](CC)CC)CC1	ZINC000182753797	547547186	/nfs/dbraw/zinc/54/71/86/547547186.db2.gz	NHEYZPFZZVOCJG-INIZCTEOSA-N	1	1	352.523	2.221	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000182925337	547573277	/nfs/dbraw/zinc/57/32/77/547573277.db2.gz	XIRKPYFFIJUZCK-PKOBYXMFSA-N	1	1	364.453	2.057	20	30		FEEDMO
COCCO[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182945186	547576290	/nfs/dbraw/zinc/57/62/90/547576290.db2.gz	KQKMEHHDNRYZIH-RBUKOAKNSA-N	1	1	357.454	2.181	20	30		FEEDMO
COCCO[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182945186	547576297	/nfs/dbraw/zinc/57/62/97/547576297.db2.gz	KQKMEHHDNRYZIH-RBUKOAKNSA-N	1	1	357.454	2.181	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCCN(CC(F)F)CC3)C2=O)cc1	ZINC000182994346	547585258	/nfs/dbraw/zinc/58/52/58/547585258.db2.gz	CACPRWQLVZOLCK-KRWDZBQOSA-N	1	1	362.424	2.326	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCN(CC(F)F)CC3)C2=O)cc1	ZINC000182994346	547585263	/nfs/dbraw/zinc/58/52/63/547585263.db2.gz	CACPRWQLVZOLCK-KRWDZBQOSA-N	1	1	362.424	2.326	20	30		FEEDMO
Cn1cc([C@@H]2CSCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)cn1	ZINC000484791292	561306144	/nfs/dbraw/zinc/30/61/44/561306144.db2.gz	BPQNPYFGHADQQZ-KRWDZBQOSA-N	1	1	355.467	2.410	20	30		FEEDMO
Cn1cc([C@@H]2CSCC[N@H+]2CCC(=O)Nc2cccc(C#N)c2)cn1	ZINC000484791292	561306145	/nfs/dbraw/zinc/30/61/45/561306145.db2.gz	BPQNPYFGHADQQZ-KRWDZBQOSA-N	1	1	355.467	2.410	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)[NH+]1CCOCC1	ZINC000184360581	547813383	/nfs/dbraw/zinc/81/33/83/547813383.db2.gz	AYLRKRHJTKIQIX-DOTOQJQBSA-N	1	1	360.458	2.456	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OCCOC)C1	ZINC000184621944	547855240	/nfs/dbraw/zinc/85/52/40/547855240.db2.gz	ZMCZFVSRMVSQGL-INIZCTEOSA-N	1	1	360.458	2.389	20	30		FEEDMO
C=CCSc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1	ZINC000485459504	561319579	/nfs/dbraw/zinc/31/95/79/561319579.db2.gz	BDZJACICAQDTJH-QGZVFWFLSA-N	1	1	373.522	2.343	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1	ZINC000185866739	548048297	/nfs/dbraw/zinc/04/82/97/548048297.db2.gz	RWESYLNFFBOOJW-MRXNPFEDSA-N	1	1	365.499	2.213	20	30		FEEDMO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCCC3(CC3)C2)CC1	ZINC000186989411	548235370	/nfs/dbraw/zinc/23/53/70/548235370.db2.gz	JJIXRAANBLXJGF-IBGZPJMESA-N	1	1	370.472	2.411	20	30		FEEDMO
C=C(C)[C@@H]([NH2+]CC(=O)NC(=O)N[C@H](C)COC)c1ccc(F)c(F)c1	ZINC000187758499	548262869	/nfs/dbraw/zinc/26/28/69/548262869.db2.gz	YOMUGIQMWHNJGX-BDJLRTHQSA-N	1	1	355.385	2.032	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1	ZINC000188913775	548290987	/nfs/dbraw/zinc/29/09/87/548290987.db2.gz	YFURMOFKDXRTII-LSDHHAIUSA-N	1	1	362.499	2.469	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1	ZINC000188913775	548290991	/nfs/dbraw/zinc/29/09/91/548290991.db2.gz	YFURMOFKDXRTII-LSDHHAIUSA-N	1	1	362.499	2.469	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1(CO)CCOCC1	ZINC000190976049	548337545	/nfs/dbraw/zinc/33/75/45/548337545.db2.gz	BBMWWRQUNUJPIC-UHFFFAOYSA-N	1	1	365.861	2.060	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)C1	ZINC000194539183	548496647	/nfs/dbraw/zinc/49/66/47/548496647.db2.gz	ATHLRPZLSVHGMK-GOSISDBHSA-N	1	1	369.465	2.324	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)C1	ZINC000194539183	548496650	/nfs/dbraw/zinc/49/66/50/548496650.db2.gz	ATHLRPZLSVHGMK-GOSISDBHSA-N	1	1	369.465	2.324	20	30		FEEDMO
C[C@@H]1CN(CC[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1	ZINC000195327212	548624759	/nfs/dbraw/zinc/62/47/59/548624759.db2.gz	DHKKKNNZJHNAIH-FUHIMQAGSA-N	1	1	370.497	2.095	20	30		FEEDMO
C[C@@H]1CN(CC[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1	ZINC000195327212	548624764	/nfs/dbraw/zinc/62/47/64/548624764.db2.gz	DHKKKNNZJHNAIH-FUHIMQAGSA-N	1	1	370.497	2.095	20	30		FEEDMO
C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	ZINC000487429325	561369647	/nfs/dbraw/zinc/36/96/47/561369647.db2.gz	JCOHAPDXMAOJCB-WMLDXEAASA-N	1	1	354.454	2.406	20	30		FEEDMO
CO[C@@H]1C[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H]1OC	ZINC000487995631	561380801	/nfs/dbraw/zinc/38/08/01/561380801.db2.gz	ASEVNXZQICVJBN-BHIYHBOVSA-N	1	1	359.470	2.284	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1	ZINC000245615074	548957838	/nfs/dbraw/zinc/95/78/38/548957838.db2.gz	MLOGZEVVRPGFPH-CTNGQTDRSA-N	1	1	352.434	2.241	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1	ZINC000245615074	548957840	/nfs/dbraw/zinc/95/78/40/548957840.db2.gz	MLOGZEVVRPGFPH-CTNGQTDRSA-N	1	1	352.434	2.241	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1	ZINC000245656035	548968256	/nfs/dbraw/zinc/96/82/56/548968256.db2.gz	OEQHVWNRIRRXIS-HKUYNNGSSA-N	1	1	362.433	2.367	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000245782125	548993663	/nfs/dbraw/zinc/99/36/63/548993663.db2.gz	HSCWXMLREMIGKS-FXAWDEMLSA-N	1	1	373.522	2.281	20	30		FEEDMO
CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000246105399	549053445	/nfs/dbraw/zinc/05/34/45/549053445.db2.gz	IKONLNPHNOEMBY-AEFFLSMTSA-N	1	1	364.453	2.155	20	30		FEEDMO
CCn1cnnc1[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000246105399	549053447	/nfs/dbraw/zinc/05/34/47/549053447.db2.gz	IKONLNPHNOEMBY-AEFFLSMTSA-N	1	1	364.453	2.155	20	30		FEEDMO
CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000246179783	549070810	/nfs/dbraw/zinc/07/08/10/549070810.db2.gz	USEHIGQORFHIKR-CVEARBPZSA-N	1	1	358.490	2.209	20	30		FEEDMO
CCn1cnnc1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000246179783	549070813	/nfs/dbraw/zinc/07/08/13/549070813.db2.gz	USEHIGQORFHIKR-CVEARBPZSA-N	1	1	358.490	2.209	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3cccc(Cl)c3C#N)CC[C@H]21	ZINC000246218084	549081233	/nfs/dbraw/zinc/08/12/33/549081233.db2.gz	UFUMQZOVZUFPNR-SWLSCSKDSA-N	1	1	353.875	2.316	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1	ZINC000246461325	549138919	/nfs/dbraw/zinc/13/89/19/549138919.db2.gz	FYEBJMIGXKTTNU-NHYWBVRUSA-N	1	1	357.426	2.187	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1F	ZINC000489015645	561401530	/nfs/dbraw/zinc/40/15/30/561401530.db2.gz	MAULHNMOFOEDLX-MRXNPFEDSA-N	1	1	359.426	2.250	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F	ZINC000489015645	561401531	/nfs/dbraw/zinc/40/15/31/561401531.db2.gz	MAULHNMOFOEDLX-MRXNPFEDSA-N	1	1	359.426	2.250	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1	ZINC000247877129	549388371	/nfs/dbraw/zinc/38/83/71/549388371.db2.gz	YVIHEAMOHKSFJP-SJORKVTESA-N	1	1	370.501	2.108	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000249087348	549548812	/nfs/dbraw/zinc/54/88/12/549548812.db2.gz	CGAKOFKNLPUXSC-CRAIPNDOSA-N	1	1	357.454	2.353	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000249087348	549548814	/nfs/dbraw/zinc/54/88/14/549548814.db2.gz	CGAKOFKNLPUXSC-CRAIPNDOSA-N	1	1	357.454	2.353	20	30		FEEDMO
C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000249169087	549564479	/nfs/dbraw/zinc/56/44/79/549564479.db2.gz	KTRXHHYOBXTAGY-GOEBONIOSA-N	1	1	374.510	2.429	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)cc1C#N	ZINC000489664414	561416429	/nfs/dbraw/zinc/41/64/29/561416429.db2.gz	GDIFTVMTDPDIND-MRXNPFEDSA-N	1	1	350.488	2.051	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1	ZINC000249186995	549566576	/nfs/dbraw/zinc/56/65/76/549566576.db2.gz	OGNBQLOLHXHUDD-MAUKXSAKSA-N	1	1	359.470	2.379	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(Cc2cc(C#N)ccc2Br)[C@@H](C)C1	ZINC000249205349	549569710	/nfs/dbraw/zinc/56/97/10/549569710.db2.gz	BDYUCAPOOFQKFX-STQMWFEESA-N	1	1	352.276	2.208	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489710860	561417687	/nfs/dbraw/zinc/41/76/87/561417687.db2.gz	UOQIOZIDLPUVDF-CQSZACIVSA-N	1	1	361.442	2.496	20	30		FEEDMO
COCC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCOC1	ZINC000490057804	561425375	/nfs/dbraw/zinc/42/53/75/561425375.db2.gz	UCSGWQAGWKDZMS-HNNXBMFYSA-N	1	1	351.834	2.278	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](CC)[C@@H](N2CCOCC2)C1	ZINC000490415572	561432647	/nfs/dbraw/zinc/43/26/47/561432647.db2.gz	KGNCRKPHAGZDPA-NRSPTQNISA-N	1	1	374.525	2.197	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)CSc2ccc(C#N)cc2)CC1	ZINC000490541660	561434673	/nfs/dbraw/zinc/43/46/73/561434673.db2.gz	IFLLMZCFBLXELS-UHFFFAOYSA-N	1	1	360.527	2.184	20	30		FEEDMO
N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1	ZINC000263676434	549917709	/nfs/dbraw/zinc/91/77/09/549917709.db2.gz	IAUSFWWHTUQINP-HKUYNNGSSA-N	1	1	353.470	2.017	20	30		FEEDMO
C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccc(OCC#N)cc1	ZINC000264580957	549998558	/nfs/dbraw/zinc/99/85/58/549998558.db2.gz	VGWCKZGVPMUUHT-CQSZACIVSA-N	1	1	359.451	2.429	20	30		FEEDMO
COC(=O)CCCc1nc(CO[NH+]=C(N)CCCc2ccccc2)no1	ZINC000264698572	549999846	/nfs/dbraw/zinc/99/98/46/549999846.db2.gz	JMMDBEKURJBJBE-UHFFFAOYSA-N	1	1	360.414	2.377	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000264790719	550001578	/nfs/dbraw/zinc/00/15/78/550001578.db2.gz	VZXDLOBJWIQVPK-GDBMZVCRSA-N	1	1	372.494	2.374	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)N(CC)[C@H](C)CS(C)(=O)=O)C(C)C	ZINC000264890054	550002730	/nfs/dbraw/zinc/00/27/30/550002730.db2.gz	LGKHMTCZFGKXKQ-IAGOWNOFSA-N	1	1	373.563	2.150	20	30		FEEDMO
C#CCOc1cc(F)ccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO	ZINC000266369473	550020042	/nfs/dbraw/zinc/02/00/42/550020042.db2.gz	FXHLJXBUPUOMLM-MRXNPFEDSA-N	1	1	363.433	2.196	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](CC(N)=O)C1	ZINC000266925903	550025926	/nfs/dbraw/zinc/02/59/26/550025926.db2.gz	KAFHQEKRDXAENB-LSDHHAIUSA-N	1	1	360.433	2.048	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CNc1cccc([C@H](C)[NH+]2CCOCC2)c1	ZINC000267984051	550036618	/nfs/dbraw/zinc/03/66/18/550036618.db2.gz	HKTCCIMKCARJBH-SJORKVTESA-N	1	1	358.486	2.500	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1	ZINC000268260345	550041448	/nfs/dbraw/zinc/04/14/48/550041448.db2.gz	KXSZJDCUJXOORJ-QZTJIDSGSA-N	1	1	353.422	2.356	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1	ZINC000268260345	550041450	/nfs/dbraw/zinc/04/14/50/550041450.db2.gz	KXSZJDCUJXOORJ-QZTJIDSGSA-N	1	1	353.422	2.356	20	30		FEEDMO
CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccc(C#N)c1	ZINC000268563368	550087874	/nfs/dbraw/zinc/08/78/74/550087874.db2.gz	OXIBXWAAHTWPHQ-GOSISDBHSA-N	1	1	355.463	2.453	20	30		FEEDMO
CCCCC(N)=[NH+]OCC(=O)NCc1cccc(COCCOCC)c1	ZINC000268612709	550093944	/nfs/dbraw/zinc/09/39/44/550093944.db2.gz	IQQIECREYXTRFL-UHFFFAOYSA-N	1	1	365.474	2.335	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000269058286	550150103	/nfs/dbraw/zinc/15/01/03/550150103.db2.gz	ANQXCYBLPKXMBY-CQSZACIVSA-N	1	1	362.861	2.340	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)OCC	ZINC000270139145	550251341	/nfs/dbraw/zinc/25/13/41/550251341.db2.gz	ZSDWQTCPTMCUQI-ZWKOTPCHSA-N	1	1	359.470	2.446	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)OCC	ZINC000270139145	550251342	/nfs/dbraw/zinc/25/13/42/550251342.db2.gz	ZSDWQTCPTMCUQI-ZWKOTPCHSA-N	1	1	359.470	2.446	20	30		FEEDMO
CN1CC[C@@H](CNC(=[NH2+])N2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000270538551	550281733	/nfs/dbraw/zinc/28/17/33/550281733.db2.gz	BGSBAYVQPSYHGW-XJKSGUPXSA-N	1	1	354.857	2.119	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1C	ZINC000270981033	550328154	/nfs/dbraw/zinc/32/81/54/550328154.db2.gz	XHFUXAAPAMFZAT-LJQANCHMSA-N	1	1	368.481	2.247	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1C	ZINC000270981033	550328156	/nfs/dbraw/zinc/32/81/56/550328156.db2.gz	XHFUXAAPAMFZAT-LJQANCHMSA-N	1	1	368.481	2.247	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)CCCn2ccnc2)c(OC)c1	ZINC000271615476	550390426	/nfs/dbraw/zinc/39/04/26/550390426.db2.gz	DBRHFMPNHLLDGR-GOSISDBHSA-N	1	1	359.470	2.382	20	30		FEEDMO
COc1cc(F)c([C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1OC	ZINC000271856893	550406140	/nfs/dbraw/zinc/40/61/40/550406140.db2.gz	YOXKHGNKKVMWGF-ZDUSSCGKSA-N	1	1	362.405	2.149	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(-c3noc(C4(C#N)CCCC4)n3)cc2)CC1	ZINC000273772429	550510925	/nfs/dbraw/zinc/51/09/25/550510925.db2.gz	QBGIPFGFGBYAJM-UHFFFAOYSA-N	1	1	365.437	2.460	20	30		FEEDMO
N#Cc1ccccc1CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000274302812	550531959	/nfs/dbraw/zinc/53/19/59/550531959.db2.gz	FXFPRKOVDIYXTF-OAQYLSRUSA-N	1	1	360.417	2.255	20	30		FEEDMO
COc1ccc(C[NH2+][C@@H](C)CCN2CCN(C)CC2)cc1OCCCC#N	ZINC000274630545	550547054	/nfs/dbraw/zinc/54/70/54/550547054.db2.gz	ZJOWXUBMZWBBQC-SFHVURJKSA-N	1	1	374.529	2.493	20	30		FEEDMO
C=C(C)[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccc(F)c(F)c1	ZINC000274712173	550550317	/nfs/dbraw/zinc/55/03/17/550550317.db2.gz	AVDPAPVUSAPBSY-WMLDXEAASA-N	1	1	352.429	2.127	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](O)C(C)(C)C1	ZINC000275396011	550571867	/nfs/dbraw/zinc/57/18/67/550571867.db2.gz	DDHQITJNQCDWAE-YJBOKZPZSA-N	1	1	359.470	2.423	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](O)C(C)(C)C1	ZINC000275396011	550571868	/nfs/dbraw/zinc/57/18/68/550571868.db2.gz	DDHQITJNQCDWAE-YJBOKZPZSA-N	1	1	359.470	2.423	20	30		FEEDMO
C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000276476226	550578870	/nfs/dbraw/zinc/57/88/70/550578870.db2.gz	SFWGVGLDBHKDNI-AWEZNQCLSA-N	1	1	353.488	2.208	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc([C@@H]3CC(=O)N(c4ccccc4)C3)no2)CC1	ZINC000277892062	550726029	/nfs/dbraw/zinc/72/60/29/550726029.db2.gz	LKFFKZNAXVULKT-MRXNPFEDSA-N	1	1	350.422	2.403	20	30		FEEDMO
N#CCCn1cc(C[NH2+]CCCCN2CCOCC2)c(-c2ccncc2)n1	ZINC000278763769	550819423	/nfs/dbraw/zinc/81/94/23/550819423.db2.gz	XMXAGHMLRBYVMZ-UHFFFAOYSA-N	1	1	368.485	2.061	20	30		FEEDMO
N#Cc1cccc(-c2cc(C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)on2)c1	ZINC000279478735	550894715	/nfs/dbraw/zinc/89/47/15/550894715.db2.gz	OABHWUKSDKYXFU-INIZCTEOSA-N	1	1	366.421	2.008	20	30		FEEDMO
C[C@@H]1OCC[C@@]12C[N@@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2	ZINC000279782094	550928252	/nfs/dbraw/zinc/92/82/52/550928252.db2.gz	NRXAYAHBWMJKJL-NNNWTRQLSA-N	1	1	369.465	2.322	20	30		FEEDMO
C[C@@H]1OCC[C@@]12C[N@H+]([C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C[C@@H](C)O2	ZINC000279782094	550928253	/nfs/dbraw/zinc/92/82/53/550928253.db2.gz	NRXAYAHBWMJKJL-NNNWTRQLSA-N	1	1	369.465	2.322	20	30		FEEDMO
C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000279806090	550931040	/nfs/dbraw/zinc/93/10/40/550931040.db2.gz	POVNPGJHLJBMGI-MAUKXSAKSA-N	1	1	367.453	2.308	20	30		FEEDMO
C[C@H](O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000279806090	550931041	/nfs/dbraw/zinc/93/10/41/550931041.db2.gz	POVNPGJHLJBMGI-MAUKXSAKSA-N	1	1	367.453	2.308	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)o1	ZINC000280263777	550975193	/nfs/dbraw/zinc/97/51/93/550975193.db2.gz	VDUIYZBTBQXECW-ALOPSCKCSA-N	1	1	371.485	2.203	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C	ZINC000280430242	550992947	/nfs/dbraw/zinc/99/29/47/550992947.db2.gz	ZXUDOPWYEOILCN-RHSMWYFYSA-N	1	1	353.426	2.100	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1C	ZINC000280732929	551026381	/nfs/dbraw/zinc/02/63/81/551026381.db2.gz	LKGBYHLIEDYYED-NVXWUHKLSA-N	1	1	357.454	2.291	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1C	ZINC000280732929	551026382	/nfs/dbraw/zinc/02/63/82/551026382.db2.gz	LKGBYHLIEDYYED-NVXWUHKLSA-N	1	1	357.454	2.291	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000280981144	551051731	/nfs/dbraw/zinc/05/17/31/551051731.db2.gz	DAXMPDQRMHVQNY-LPHOPBHVSA-N	1	1	353.422	2.073	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C1=O	ZINC000281197763	551072948	/nfs/dbraw/zinc/07/29/48/551072948.db2.gz	CGKXSNQVBBQQMN-HNNXBMFYSA-N	1	1	365.861	2.396	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1=O	ZINC000281282746	551080908	/nfs/dbraw/zinc/08/09/08/551080908.db2.gz	IUHGUVAUZBQLCY-HOJAQTOUSA-N	1	1	358.482	2.160	20	30		FEEDMO
CN(CCC[NH+]1CCN(c2cc(C#N)ccn2)CC1)C(=O)OC(C)(C)C	ZINC000281413113	551094236	/nfs/dbraw/zinc/09/42/36/551094236.db2.gz	XFVNKZXBEOBHDY-UHFFFAOYSA-N	1	1	359.474	2.332	20	30		FEEDMO
C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000283009285	551297242	/nfs/dbraw/zinc/29/72/42/551297242.db2.gz	RTYPLCTUOJXCAB-QGZVFWFLSA-N	1	1	370.501	2.018	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC3CCCCC3)CC2)cc1	ZINC000283379421	551356890	/nfs/dbraw/zinc/35/68/90/551356890.db2.gz	WGOPWFMMJBLHSA-UHFFFAOYSA-N	1	1	368.481	2.041	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC3CCCCC3)CC2)cc1	ZINC000283379421	551356892	/nfs/dbraw/zinc/35/68/92/551356892.db2.gz	WGOPWFMMJBLHSA-UHFFFAOYSA-N	1	1	368.481	2.041	20	30		FEEDMO
C[N@H+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1	ZINC000283992905	551463797	/nfs/dbraw/zinc/46/37/97/551463797.db2.gz	DECKJOXSNPWHJV-LEWJYISDSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1	ZINC000283992905	551463800	/nfs/dbraw/zinc/46/38/00/551463800.db2.gz	DECKJOXSNPWHJV-LEWJYISDSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1	ZINC000283992905	551463801	/nfs/dbraw/zinc/46/38/01/551463801.db2.gz	DECKJOXSNPWHJV-LEWJYISDSA-N	1	1	365.477	2.157	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1	ZINC000284178397	551498775	/nfs/dbraw/zinc/49/87/75/551498775.db2.gz	ZHGQZILKZXIALR-IBGZPJMESA-N	1	1	368.481	2.088	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C[C@@H]1C	ZINC000498584266	561529445	/nfs/dbraw/zinc/52/94/45/561529445.db2.gz	QITQNYSJYKTOQG-UONOGXRCSA-N	1	1	368.485	2.092	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCCCC#N)CC[N@H+]1Cc1ccccc1	ZINC000286363164	551878852	/nfs/dbraw/zinc/87/88/52/551878852.db2.gz	CNGDKHZVZXXILS-IEBWSBKVSA-N	1	1	370.497	2.308	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000287344726	551992255	/nfs/dbraw/zinc/99/22/55/551992255.db2.gz	LDKGYSZALMEFNQ-QZTJIDSGSA-N	1	1	368.481	2.266	20	30		FEEDMO
Cc1onc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C#N	ZINC000499846596	561559678	/nfs/dbraw/zinc/55/96/78/561559678.db2.gz	JZRJZOHXBOGZPA-KSSFIOAISA-N	1	1	352.438	2.424	20	30		FEEDMO
N#Cc1cc(-c2nc(-c3ccccc3C[N@@H+]3CCC[C@@H]3C(N)=O)no2)ccn1	ZINC000289114865	552268421	/nfs/dbraw/zinc/26/84/21/552268421.db2.gz	QPCCZSKXDBOQDQ-QGZVFWFLSA-N	1	1	374.404	2.120	20	30		FEEDMO
CN([C@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cncc(C#N)c1	ZINC000289393576	552314033	/nfs/dbraw/zinc/31/40/33/552314033.db2.gz	DSNMQQVTOGTOFO-SFHVURJKSA-N	1	1	370.478	2.238	20	30		FEEDMO
CN([C@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cncc(C#N)c1	ZINC000289393576	552314034	/nfs/dbraw/zinc/31/40/34/552314034.db2.gz	DSNMQQVTOGTOFO-SFHVURJKSA-N	1	1	370.478	2.238	20	30		FEEDMO
COc1ccc(C[N@H+]2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1C#N	ZINC000289403787	552315594	/nfs/dbraw/zinc/31/55/94/552315594.db2.gz	GCFUIVFEBJLPQW-ZDUSSCGKSA-N	1	1	355.360	2.457	20	30		FEEDMO
COc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cc1C#N	ZINC000289403787	552315597	/nfs/dbraw/zinc/31/55/97/552315597.db2.gz	GCFUIVFEBJLPQW-ZDUSSCGKSA-N	1	1	355.360	2.457	20	30		FEEDMO
COC(=O)[C@@H](N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1(OC)CCC1	ZINC000289442997	552322388	/nfs/dbraw/zinc/32/23/88/552322388.db2.gz	WQIJDJJXORWBGY-LJQANCHMSA-N	1	1	371.481	2.177	20	30		FEEDMO
CN(C)c1cc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cc[nH+]1	ZINC000500430087	561572881	/nfs/dbraw/zinc/57/28/81/561572881.db2.gz	WXYOEHGMCMXLJP-UHFFFAOYSA-N	1	1	372.450	2.477	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCCN(c3ccccc3C#N)CC1)C2	ZINC000289931723	552401451	/nfs/dbraw/zinc/40/14/51/552401451.db2.gz	PBGFKDHQWYWLSG-KRWDZBQOSA-N	1	1	363.465	2.365	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1F	ZINC000290882773	552555033	/nfs/dbraw/zinc/55/50/33/552555033.db2.gz	UGFUBTSTVVZMSG-UHFFFAOYSA-N	1	1	358.417	2.113	20	30		FEEDMO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C	ZINC000290888721	552555911	/nfs/dbraw/zinc/55/59/11/552555911.db2.gz	BLSWXMDDWHCPHR-NVXWUHKLSA-N	1	1	357.506	2.421	20	30		FEEDMO
COc1cc(O)c(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OC	ZINC000291823179	552665405	/nfs/dbraw/zinc/66/54/05/552665405.db2.gz	FEOLWYYWKMNJJP-HNNXBMFYSA-N	1	1	355.394	2.329	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](n2cccn2)C1	ZINC000291846942	552667770	/nfs/dbraw/zinc/66/77/70/552667770.db2.gz	OVGRBRBCQCLZJR-SJORKVTESA-N	1	1	367.453	2.474	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@H](n2cccn2)C1	ZINC000291846942	552667771	/nfs/dbraw/zinc/66/77/71/552667771.db2.gz	OVGRBRBCQCLZJR-SJORKVTESA-N	1	1	367.453	2.474	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C2)C1	ZINC000292052308	552688693	/nfs/dbraw/zinc/68/86/93/552688693.db2.gz	NSIAGKOOMJIKHR-HNNXBMFYSA-N	1	1	373.400	2.293	20	30		FEEDMO
C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC1	ZINC000292063759	552689875	/nfs/dbraw/zinc/68/98/75/552689875.db2.gz	CEDKUWDFEMMJBX-RDTXWAMCSA-N	1	1	354.454	2.196	20	30		FEEDMO
C[C@H](C1CC1)N(C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC1	ZINC000292063759	552689877	/nfs/dbraw/zinc/68/98/77/552689877.db2.gz	CEDKUWDFEMMJBX-RDTXWAMCSA-N	1	1	354.454	2.196	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292292431	552712907	/nfs/dbraw/zinc/71/29/07/552712907.db2.gz	UHCOBFNNVRPKTQ-WBVHZDCISA-N	1	1	367.453	2.138	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292292431	552712908	/nfs/dbraw/zinc/71/29/08/552712908.db2.gz	UHCOBFNNVRPKTQ-WBVHZDCISA-N	1	1	367.453	2.138	20	30		FEEDMO
CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CC(N)=O	ZINC000292717221	552752219	/nfs/dbraw/zinc/75/22/19/552752219.db2.gz	RUMOWFKZYZWKCQ-GFCCVEGCSA-N	1	1	362.499	2.269	20	30		FEEDMO
CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](CCOCCC#N)C(C)C)cc1	ZINC000293155746	552794156	/nfs/dbraw/zinc/79/41/56/552794156.db2.gz	RDTIADJRCQDBDR-SFHVURJKSA-N	1	1	363.458	2.025	20	30		FEEDMO
C[N@@H+](C[C@H](O)Cc1ccccc1)[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000293486249	552828646	/nfs/dbraw/zinc/82/86/46/552828646.db2.gz	YMSMJLVVMGWUSU-IAGOWNOFSA-N	1	1	355.463	2.260	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccnc1-c1csc(C)c1	ZINC000293491311	552829042	/nfs/dbraw/zinc/82/90/42/552829042.db2.gz	WLMUUESYSYBPMO-UHFFFAOYSA-N	1	1	370.478	2.128	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000501638568	561602593	/nfs/dbraw/zinc/60/25/93/561602593.db2.gz	KRGZBVUYPBBLMT-SFHVURJKSA-N	1	1	373.497	2.217	20	30		FEEDMO
C[NH+](C)[C@@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000293824076	552859689	/nfs/dbraw/zinc/85/96/89/552859689.db2.gz	VHZQYQVAZLLOTK-IEBWSBKVSA-N	1	1	350.422	2.236	20	30		FEEDMO
CSc1ccc([C@@H](CNS(=O)(=O)c2ccc(C#N)o2)[NH+](C)C)cc1	ZINC000293997628	552873865	/nfs/dbraw/zinc/87/38/65/552873865.db2.gz	FUMGFZNOQMLWPO-OAHLLOKOSA-N	1	1	365.480	2.454	20	30		FEEDMO
C#CCCOc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1	ZINC000294720897	552929277	/nfs/dbraw/zinc/92/92/77/552929277.db2.gz	VCYFJSMLAHKGTR-HXUWFJFHSA-N	1	1	369.509	2.331	20	30		FEEDMO
CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000295103255	552958955	/nfs/dbraw/zinc/95/89/55/552958955.db2.gz	KRBPVSBYPFOZFT-KRWDZBQOSA-N	1	1	368.441	2.131	20	30		FEEDMO
C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CCN2CCO[C@H]1C2	ZINC000295121669	552961202	/nfs/dbraw/zinc/96/12/02/552961202.db2.gz	NHRPYDBTFFNUGQ-PMACEKPBSA-N	1	1	365.481	2.369	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000295546027	553024169	/nfs/dbraw/zinc/02/41/69/553024169.db2.gz	JYRFLLOJHFRYDF-DLBZAZTESA-N	1	1	365.433	2.227	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNc3ncc(C#N)cc3[N+](=O)[O-])cc2)CC1	ZINC000296485436	553167664	/nfs/dbraw/zinc/16/76/64/553167664.db2.gz	KRHHMHHOMGOMDK-UHFFFAOYSA-N	1	1	366.425	2.221	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000502777165	561625215	/nfs/dbraw/zinc/62/52/15/561625215.db2.gz	WXIJLEZFEFIDIN-SFHVURJKSA-N	1	1	372.494	2.358	20	30		FEEDMO
Cn1cc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000502777165	561625216	/nfs/dbraw/zinc/62/52/16/561625216.db2.gz	WXIJLEZFEFIDIN-SFHVURJKSA-N	1	1	372.494	2.358	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1c2ccccc2CC12CCOCC2	ZINC000297256310	553269841	/nfs/dbraw/zinc/26/98/41/553269841.db2.gz	YRSGDVIHBWCLBQ-LJQANCHMSA-N	1	1	355.482	2.335	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000297684419	553324494	/nfs/dbraw/zinc/32/44/94/553324494.db2.gz	BAQDDYBKABNOTF-RTBURBONSA-N	1	1	355.482	2.144	20	30		FEEDMO
C[NH+](C)Cc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1	ZINC000298682338	553458177	/nfs/dbraw/zinc/45/81/77/553458177.db2.gz	CFFKWWQRRHITPA-UHFFFAOYSA-N	1	1	371.462	2.173	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCC(C(=O)OC)CC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000299092845	553514470	/nfs/dbraw/zinc/51/44/70/553514470.db2.gz	UHDBBBUHWGWIAI-HNNXBMFYSA-N	1	1	357.454	2.353	20	30		FEEDMO
CN1CCc2ncnc(N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c2C1	ZINC000299551083	553579859	/nfs/dbraw/zinc/57/98/59/553579859.db2.gz	CCMJYKDSKQGFDL-UHFFFAOYSA-N	1	1	362.481	2.048	20	30		FEEDMO
CCN1CC[NH+](CCCNc2cc(C#N)c(Br)cn2)CC1	ZINC000603276985	553751219	/nfs/dbraw/zinc/75/12/19/553751219.db2.gz	UVHLLMSACWCDCA-UHFFFAOYSA-N	1	1	352.280	2.155	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2nnc3n2CCCC3)C1	ZINC000328711190	553810777	/nfs/dbraw/zinc/81/07/77/553810777.db2.gz	BBPZIBMAORSBLL-NVXWUHKLSA-N	1	1	368.485	2.454	20	30		FEEDMO
Cc1csc([C@@H]2CN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)CCO2)n1	ZINC000328743702	553815568	/nfs/dbraw/zinc/81/55/68/553815568.db2.gz	OMOCIRBJXWMHKY-DFBGVHRSSA-N	1	1	350.488	2.222	20	30		FEEDMO
C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000328777370	553820934	/nfs/dbraw/zinc/82/09/34/553820934.db2.gz	IIHLUSBOFJXBHY-FUHWJXTLSA-N	1	1	364.534	2.150	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)NCC(=O)N[C@@H]2CCOc3ccccc32)C1	ZINC000328838200	553830775	/nfs/dbraw/zinc/83/07/75/553830775.db2.gz	TZCOVKJJSDDSLX-GOEBONIOSA-N	1	1	360.458	2.455	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC=C(c3ccccc3)C2)CC1	ZINC000328864111	553835095	/nfs/dbraw/zinc/83/50/95/553835095.db2.gz	BJAGOMOLAHSKPI-OAQYLSRUSA-N	1	1	366.509	2.468	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC=C(c3ccccc3)C2)CC1	ZINC000328864111	553835096	/nfs/dbraw/zinc/83/50/96/553835096.db2.gz	BJAGOMOLAHSKPI-OAQYLSRUSA-N	1	1	366.509	2.468	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccc(OC2CCCC2)cc1	ZINC000328901833	553842099	/nfs/dbraw/zinc/84/20/99/553842099.db2.gz	ZOUGBHOJMVQWQX-QGZVFWFLSA-N	1	1	360.502	2.257	20	30		FEEDMO
O=C(CSc1nnnn1C1CCCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000328915568	553844193	/nfs/dbraw/zinc/84/41/93/553844193.db2.gz	JUWBTUSSCVXSHU-KGLIPLIRSA-N	1	1	350.492	2.464	20	30		FEEDMO
C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21	ZINC000328961693	553853728	/nfs/dbraw/zinc/85/37/28/553853728.db2.gz	KVIMLZPDVJKLOE-BHYGNILZSA-N	1	1	351.491	2.233	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)NCC(=O)N2CCCc3ccccc32)C[C@@H]1C	ZINC000328975854	553856902	/nfs/dbraw/zinc/85/69/02/553856902.db2.gz	PYZUBWYVSMTDDT-HOTGVXAUSA-N	1	1	358.486	2.294	20	30		FEEDMO
C[N@H+]1CC[C@@H]2OCCN(CC(=O)NCc3ccc(OC(F)F)cc3)[C@H]2C1	ZINC000329024141	553866314	/nfs/dbraw/zinc/86/63/14/553866314.db2.gz	NDTBZJQPKRDLLE-HOTGVXAUSA-N	1	1	369.412	2.149	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C	ZINC000329026193	553866893	/nfs/dbraw/zinc/86/68/93/553866893.db2.gz	VNPLNZPBGDTDJR-QMTMVMCOSA-N	1	1	361.490	2.303	20	30		FEEDMO
CN1CCO[C@@H]2CN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)C[C@H]21	ZINC000329106957	553881312	/nfs/dbraw/zinc/88/13/12/553881312.db2.gz	DQKAMRDPNSPWLD-CHWSQXEVSA-N	1	1	351.357	2.061	20	30		FEEDMO
Cc1nc(Cn2nnc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)c2C)no1	ZINC000329106195	553881532	/nfs/dbraw/zinc/88/15/32/553881532.db2.gz	HJNCPDQSNZAING-CQSZACIVSA-N	1	1	359.434	2.321	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)C1	ZINC000329116384	553882932	/nfs/dbraw/zinc/88/29/32/553882932.db2.gz	IOHLTCFZKKBBKC-HOTGVXAUSA-N	1	1	373.453	2.461	20	30		FEEDMO
C[C@H](O)C[NH+]1CCN(C(=O)Nc2nc3c(s2)CCCCCC3)CC1	ZINC000329136857	553887059	/nfs/dbraw/zinc/88/70/59/553887059.db2.gz	REVVEYZLUKBBFO-ZDUSSCGKSA-N	1	1	352.504	2.346	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)c2c[nH]nc2[C@H]2CCOC2)CCC[N@H+]1C	ZINC000329179486	553896623	/nfs/dbraw/zinc/89/66/23/553896623.db2.gz	MSWBCOGDBVBXNG-SUNYJGFJSA-N	1	1	372.473	2.035	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@H]2CSC2(C)C)CCC[N@H+]1C	ZINC000329211804	553903037	/nfs/dbraw/zinc/90/30/37/553903037.db2.gz	ZLACVVQOHUNYAA-AEGPPILISA-N	1	1	351.520	2.201	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1	ZINC000329219047	553904814	/nfs/dbraw/zinc/90/48/14/553904814.db2.gz	AORSXIJVIYBXCH-JKSUJKDBSA-N	1	1	367.515	2.493	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)CC[N@@H+]1C	ZINC000329256230	553912308	/nfs/dbraw/zinc/91/23/08/553912308.db2.gz	XLYKVBNQHJUAKX-NEPJUHHUSA-N	1	1	362.405	2.049	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H](c1nccn1C)C1CCOCC1	ZINC000329259301	553912773	/nfs/dbraw/zinc/91/27/73/553912773.db2.gz	AFFQPYPZMJLUTN-PVAVHDDUSA-N	1	1	363.506	2.074	20	30		FEEDMO
C[C@H](NC(=O)N1CCO[C@H](C(N)=O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000329271778	553915027	/nfs/dbraw/zinc/91/50/27/553915027.db2.gz	IFVURCNVKLXFSY-UAGQMJEPSA-N	1	1	360.458	2.047	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)C[C@@H]1[NH+]1CCOCC1	ZINC000329310384	553922854	/nfs/dbraw/zinc/92/28/54/553922854.db2.gz	ZJWVXUTVEVCVLJ-NNXHMXCWSA-N	1	1	353.507	2.003	20	30		FEEDMO
C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)N1CCOCC1	ZINC000329366392	553933368	/nfs/dbraw/zinc/93/33/68/553933368.db2.gz	IMIUWHUFVUSCMM-WMZOPIPTSA-N	1	1	359.470	2.245	20	30		FEEDMO
C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N1CCOCC1	ZINC000329366392	553933370	/nfs/dbraw/zinc/93/33/70/553933370.db2.gz	IMIUWHUFVUSCMM-WMZOPIPTSA-N	1	1	359.470	2.245	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)[C@@H]2C1	ZINC000329417028	553942285	/nfs/dbraw/zinc/94/22/85/553942285.db2.gz	FXVTYRFKVKLNFK-JFIYKMOQSA-N	1	1	362.518	2.108	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3cnc4c(c3)CCCC4)CC2)cn1	ZINC000329464468	553951006	/nfs/dbraw/zinc/95/10/06/553951006.db2.gz	RBZKHQCHFJMYAR-UHFFFAOYSA-N	1	1	368.485	2.447	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)Nc3cnc4c(c3)CCCC4)CC2)cn1	ZINC000329464468	553951008	/nfs/dbraw/zinc/95/10/08/553951008.db2.gz	RBZKHQCHFJMYAR-UHFFFAOYSA-N	1	1	368.485	2.447	20	30		FEEDMO
C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1CCCC1	ZINC000329472285	553953197	/nfs/dbraw/zinc/95/31/97/553953197.db2.gz	BENFIBQYBRQBBZ-HRCADAONSA-N	1	1	350.507	2.154	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)C[C@@H](C)O1	ZINC000329473531	553953338	/nfs/dbraw/zinc/95/33/38/553953338.db2.gz	OPVIJFCEYIVJRL-VQHPVUNQSA-N	1	1	353.507	2.432	20	30		FEEDMO
CCn1ccnc1[C@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1	ZINC000329485058	553955948	/nfs/dbraw/zinc/95/59/48/553955948.db2.gz	FUSCRJGHJGSKFP-DLBZAZTESA-N	1	1	361.490	2.065	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1C[C@H](C)C[C@H](C)C1	ZINC000329505637	553959065	/nfs/dbraw/zinc/95/90/65/553959065.db2.gz	HJAIQYZMBQIXND-FGTMMUONSA-N	1	1	359.518	2.484	20	30		FEEDMO
CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)no1	ZINC000329527649	553962237	/nfs/dbraw/zinc/96/22/37/553962237.db2.gz	UICGFBAHGUJIKU-NFAWXSAZSA-N	1	1	363.462	2.106	20	30		FEEDMO
Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C	ZINC000329547096	553965685	/nfs/dbraw/zinc/96/56/85/553965685.db2.gz	HJQOTCWBGJWRHN-XNRPHZJLSA-N	1	1	350.463	2.104	20	30		FEEDMO
C[C@H](NC(=O)N1CCO[C@]2(CCCOC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000329580248	553971139	/nfs/dbraw/zinc/97/11/39/553971139.db2.gz	WVEBMVGRTIEYET-SQGPQFPESA-N	1	1	365.518	2.435	20	30		FEEDMO
C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1CCCC1	ZINC000329612975	553976717	/nfs/dbraw/zinc/97/67/17/553976717.db2.gz	OQZNIJATQNVTBO-RDJZCZTQSA-N	1	1	350.507	2.298	20	30		FEEDMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CC[C@@H](n2cccn2)C1	ZINC000329643031	553981262	/nfs/dbraw/zinc/98/12/62/553981262.db2.gz	YNMXZLYDQGZSGE-QGZVFWFLSA-N	1	1	361.490	2.079	20	30		FEEDMO
CC(C)n1nnnc1-c1ccccc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C	ZINC000329728544	553996459	/nfs/dbraw/zinc/99/64/59/553996459.db2.gz	CRBBDJIZNPFVIW-KBPBESRZSA-N	1	1	357.462	2.491	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)NCc1ccc(C)cc1	ZINC000329771756	554002706	/nfs/dbraw/zinc/00/27/06/554002706.db2.gz	KBWBTQNHMXBHIU-QZTJIDSGSA-N	1	1	358.486	2.084	20	30		FEEDMO
Cc1ccc(N2CCC[C@H](NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)nn1	ZINC000329779588	554003929	/nfs/dbraw/zinc/00/39/29/554003929.db2.gz	RCPRWYHGJRJDOU-IXDOHACOSA-N	1	1	360.506	2.082	20	30		FEEDMO
CC(C)N1C[C@H](NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1=O	ZINC000329809561	554009884	/nfs/dbraw/zinc/00/98/84/554009884.db2.gz	QCJQVTDDSXYVRU-BPQIPLTHSA-N	1	1	358.486	2.162	20	30		FEEDMO
Cn1cc2c(n1)CCC[C@@H]2C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000329821102	554012001	/nfs/dbraw/zinc/01/20/01/554012001.db2.gz	GRAOPPDYFPCVSA-ROUUACIJSA-N	1	1	368.481	2.216	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1	ZINC000329844005	554017866	/nfs/dbraw/zinc/01/78/66/554017866.db2.gz	OHNGRLRHBODXPX-ZIAGYGMSSA-N	1	1	362.478	2.352	20	30		FEEDMO
Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000329852745	554019149	/nfs/dbraw/zinc/01/91/49/554019149.db2.gz	RRCGWZNBUXUOQH-QSJFSLAZSA-N	1	1	363.506	2.277	20	30		FEEDMO
Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000329852745	554019150	/nfs/dbraw/zinc/01/91/50/554019150.db2.gz	RRCGWZNBUXUOQH-QSJFSLAZSA-N	1	1	363.506	2.277	20	30		FEEDMO
O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1cc2n(n1)CCCO2	ZINC000329888300	554025068	/nfs/dbraw/zinc/02/50/68/554025068.db2.gz	YRUKXIJUWUFZDO-UHFFFAOYSA-N	1	1	362.474	2.253	20	30		FEEDMO
Cc1c([C@@H]2[C@@H](C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC(=O)N2C)cnn1C	ZINC000329900313	554027744	/nfs/dbraw/zinc/02/77/44/554027744.db2.gz	NPPBJFUCCDUDFS-KQLVOXIKSA-N	1	1	373.501	2.220	20	30		FEEDMO
CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1	ZINC000329933668	554034868	/nfs/dbraw/zinc/03/48/68/554034868.db2.gz	QEPRUYFIDVPNIQ-LZQZEXGQSA-N	1	1	358.486	2.164	20	30		FEEDMO
CC1(C)CCC[N@@H+](CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1	ZINC000329947473	554036875	/nfs/dbraw/zinc/03/68/75/554036875.db2.gz	KBRUIAJHPTTYKQ-UHFFFAOYSA-N	1	1	350.463	2.134	20	30		FEEDMO
Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H](C)[NH+]1CCSCC1	ZINC000329992195	554045449	/nfs/dbraw/zinc/04/54/49/554045449.db2.gz	XKYCQALHOZMUMR-RCBQFDQVSA-N	1	1	370.494	2.289	20	30		FEEDMO
O=C(C[N@@H+]1CCCC2(CCOCC2)C1)Nc1cc(-n2cnnn2)ccc1F	ZINC000329993005	554045701	/nfs/dbraw/zinc/04/57/01/554045701.db2.gz	YCDVLWQACPLFMR-UHFFFAOYSA-N	1	1	374.420	2.282	20	30		FEEDMO
O=C(C[N@H+]1CCCC2(CCOCC2)C1)Nc1cc(-n2cnnn2)ccc1F	ZINC000329993005	554045702	/nfs/dbraw/zinc/04/57/02/554045702.db2.gz	YCDVLWQACPLFMR-UHFFFAOYSA-N	1	1	374.420	2.282	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+](CCC2CCCCC2)CC(N)=O)cc1	ZINC000507431827	561729254	/nfs/dbraw/zinc/72/92/54/561729254.db2.gz	WKHXLRXQDBMOIW-SFHVURJKSA-N	1	1	359.470	2.056	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1	ZINC000330000667	554047402	/nfs/dbraw/zinc/04/74/02/554047402.db2.gz	WVSSACUNVVYPMJ-KDOFPFPSSA-N	1	1	350.463	2.012	20	30		FEEDMO
CN(C)c1ncn(-c2cccc(NC(=O)N3CC[N@H+]4CCCC[C@H]4C3)c2)n1	ZINC000330013671	554049764	/nfs/dbraw/zinc/04/97/64/554049764.db2.gz	MJFWGINSGHBTLI-KRWDZBQOSA-N	1	1	369.473	2.049	20	30		FEEDMO
Cn1cc([C@H]2[C@H](C(=O)NC[C@H]3CC[N@@H+](C)C3)CC(=O)N2C(C)(C)C)cn1	ZINC000330034512	554052550	/nfs/dbraw/zinc/05/25/50/554052550.db2.gz	BAWXGNXKLHSJFM-UNEWFSDZSA-N	1	1	361.490	2.016	20	30		FEEDMO
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C1CCC(NC(=O)C2CC2)CC1	ZINC000330081568	554061318	/nfs/dbraw/zinc/06/13/18/554061318.db2.gz	KAMTUKDBETWVLP-UHFFFAOYSA-N	1	1	365.518	2.481	20	30		FEEDMO
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C1CCC(NC(=O)C2CC2)CC1	ZINC000330081568	554061319	/nfs/dbraw/zinc/06/13/19/554061319.db2.gz	KAMTUKDBETWVLP-UHFFFAOYSA-N	1	1	365.518	2.481	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)CC[N@H+]1C	ZINC000330093468	554063360	/nfs/dbraw/zinc/06/33/60/554063360.db2.gz	RPAGZLKDKZXJRO-GDBMZVCRSA-N	1	1	360.506	2.191	20	30		FEEDMO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1	ZINC000330163889	554076887	/nfs/dbraw/zinc/07/68/87/554076887.db2.gz	SVEJBYXCNCWMTD-FZKCQIBNSA-N	1	1	374.547	2.292	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)S(=O)(=O)C1CCOCC1	ZINC000330163889	554076890	/nfs/dbraw/zinc/07/68/90/554076890.db2.gz	SVEJBYXCNCWMTD-FZKCQIBNSA-N	1	1	374.547	2.292	20	30		FEEDMO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cn1	ZINC000330179028	554079356	/nfs/dbraw/zinc/07/93/56/554079356.db2.gz	MCTIWMWMEOHURC-VUNQQRPYSA-N	1	1	374.489	2.146	20	30		FEEDMO
O=C(NC1CCCCC1)NC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1	ZINC000330203550	554084466	/nfs/dbraw/zinc/08/44/66/554084466.db2.gz	AWDRHXKDBZPPEJ-SFHVURJKSA-N	1	1	362.518	2.441	20	30		FEEDMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CCCC(F)(F)C1	ZINC000330232465	554089985	/nfs/dbraw/zinc/08/99/85/554089985.db2.gz	ROJDNOUALCPKNK-GJZGRUSLSA-N	1	1	373.444	2.234	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CCOC3(CCCC3)C2)C[C@H]1[NH+]1CCOCC1	ZINC000330238427	554091121	/nfs/dbraw/zinc/09/11/21/554091121.db2.gz	VDXCPYHCFOADIC-KZNAEPCWSA-N	1	1	365.518	2.435	20	30		FEEDMO
Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000330254071	554093620	/nfs/dbraw/zinc/09/36/20/554093620.db2.gz	JHAFHYLTWIQENV-KGLIPLIRSA-N	1	1	364.490	2.494	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2C[C@](C)(OC)C2(C)C)C[C@H]1[NH+]1CCOCC1	ZINC000330256939	554094007	/nfs/dbraw/zinc/09/40/07/554094007.db2.gz	LAWGMMDYZFTCRO-NNFUDEMPSA-N	1	1	353.507	2.147	20	30		FEEDMO
O=C(Nc1nccn1-c1ccccc1)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000330261661	554095539	/nfs/dbraw/zinc/09/55/39/554095539.db2.gz	UKFHJAGZAJQVPK-MRXNPFEDSA-N	1	1	355.442	2.072	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1	ZINC000330382923	554113977	/nfs/dbraw/zinc/11/39/77/554113977.db2.gz	JHCPPJYNCBEMDZ-DOTOQJQBSA-N	1	1	356.536	2.099	20	30		FEEDMO
CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O	ZINC000330402358	554116738	/nfs/dbraw/zinc/11/67/38/554116738.db2.gz	LASBZYBACNBYGW-HMDCTGQHSA-N	1	1	353.507	2.323	20	30		FEEDMO
CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C1	ZINC000330489403	554128322	/nfs/dbraw/zinc/12/83/22/554128322.db2.gz	KOGYCPVLJLQEJX-ZIAGYGMSSA-N	1	1	353.463	2.013	20	30		FEEDMO
CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)C1	ZINC000330489403	554128324	/nfs/dbraw/zinc/12/83/24/554128324.db2.gz	KOGYCPVLJLQEJX-ZIAGYGMSSA-N	1	1	353.463	2.013	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1	ZINC000330552855	554137276	/nfs/dbraw/zinc/13/72/76/554137276.db2.gz	CLBHNGXMHNVBNW-AWEZNQCLSA-N	1	1	363.462	2.464	20	30		FEEDMO
C[C@@H]1CN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C	ZINC000330577764	554140609	/nfs/dbraw/zinc/14/06/09/554140609.db2.gz	HDECMCXPUNLYOE-MNOVXSKESA-N	1	1	368.821	2.104	20	30		FEEDMO
COc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc(OC)c1C(C)C	ZINC000330724243	554163117	/nfs/dbraw/zinc/16/31/17/554163117.db2.gz	YVAJIFIYBBCAEB-HNNXBMFYSA-N	1	1	364.490	2.399	20	30		FEEDMO
COC(=O)CCc1csc(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)n1	ZINC000330746075	554166195	/nfs/dbraw/zinc/16/61/95/554166195.db2.gz	FOWAKKGBNWDDEZ-ZDUSSCGKSA-N	1	1	354.476	2.066	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000508319837	561758794	/nfs/dbraw/zinc/75/87/94/561758794.db2.gz	QYDSOHANXFHYHL-LJQANCHMSA-N	1	1	372.513	2.104	20	30		FEEDMO
Cc1c(CS(C)(=O)=O)cccc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C	ZINC000330897402	554184607	/nfs/dbraw/zinc/18/46/07/554184607.db2.gz	UEUHHXSNRLWUID-KBPBESRZSA-N	1	1	353.488	2.110	20	30		FEEDMO
CO[C@H](C)c1nc(C)c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)s1	ZINC000331117866	554216207	/nfs/dbraw/zinc/21/62/07/554216207.db2.gz	OGCYDEGZKAYJJL-GFCCVEGCSA-N	1	1	368.503	2.016	20	30		FEEDMO
Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2CCC(O)(C(F)F)CC2)c(C)c1	ZINC000331149660	554221992	/nfs/dbraw/zinc/22/19/92/554221992.db2.gz	NHMCGCGBJMOUNM-CYBMUJFWSA-N	1	1	369.412	2.446	20	30		FEEDMO
COc1cccc(C[C@H](C)NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1	ZINC000331216493	554232391	/nfs/dbraw/zinc/23/23/91/554232391.db2.gz	DTCKWYIMAKDMBV-JKSUJKDBSA-N	1	1	363.502	2.317	20	30		FEEDMO
CSc1c(F)cccc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000331233261	554234004	/nfs/dbraw/zinc/23/40/04/554234004.db2.gz	RRKYTOYINUPZTO-UHFFFAOYSA-N	1	1	353.463	2.405	20	30		FEEDMO
CC(=O)NC[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)C1	ZINC000331272740	554239485	/nfs/dbraw/zinc/23/94/85/554239485.db2.gz	AOJMNPDKDOVINF-ZWKOTPCHSA-N	1	1	352.523	2.259	20	30		FEEDMO
CC(=O)Nc1cccc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1C	ZINC000331285009	554241064	/nfs/dbraw/zinc/24/10/64/554241064.db2.gz	XLTUTPFBYKVMLU-UHFFFAOYSA-N	1	1	361.490	2.305	20	30		FEEDMO
COc1cc(OC)c(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1F	ZINC000331287338	554241880	/nfs/dbraw/zinc/24/18/80/554241880.db2.gz	HVEUYIRGXVBBGS-LBPRGKRZSA-N	1	1	369.437	2.165	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000331480085	554271576	/nfs/dbraw/zinc/27/15/76/554271576.db2.gz	JKTCDFSOASWRFK-QMTHXVAHSA-N	1	1	373.400	2.338	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@@H](C)[C@H](O)C2)c1C#N	ZINC000509129182	561785955	/nfs/dbraw/zinc/78/59/55/561785955.db2.gz	UWWOLHUZLBPDFK-FZKQIMNGSA-N	1	1	370.453	2.259	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000331627987	554298262	/nfs/dbraw/zinc/29/82/62/554298262.db2.gz	RJVXJDBQPZYEIO-HKUYNNGSSA-N	1	1	369.513	2.278	20	30		FEEDMO
N#CC1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CCOCC1	ZINC000331662671	554303706	/nfs/dbraw/zinc/30/37/06/554303706.db2.gz	MVDCKRVHMFQMDH-INIZCTEOSA-N	1	1	356.426	2.445	20	30		FEEDMO
N#CC1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CCOCC1	ZINC000331662671	554303708	/nfs/dbraw/zinc/30/37/08/554303708.db2.gz	MVDCKRVHMFQMDH-INIZCTEOSA-N	1	1	356.426	2.445	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1	ZINC000509504256	561802721	/nfs/dbraw/zinc/80/27/21/561802721.db2.gz	RLOYZOPDUYCZIF-SJORKVTESA-N	1	1	358.486	2.356	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2C)CC1	ZINC000332649103	554490698	/nfs/dbraw/zinc/49/06/98/554490698.db2.gz	HWQNUXZWVAKTLX-WBVHZDCISA-N	1	1	360.527	2.360	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2C)CC1	ZINC000332649103	554490701	/nfs/dbraw/zinc/49/07/01/554490701.db2.gz	HWQNUXZWVAKTLX-WBVHZDCISA-N	1	1	360.527	2.360	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C	ZINC000332936428	554545570	/nfs/dbraw/zinc/54/55/70/554545570.db2.gz	XALCJMVJEUSQLF-FXAWDEMLSA-N	1	1	369.513	2.258	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C	ZINC000332936428	554545572	/nfs/dbraw/zinc/54/55/72/554545572.db2.gz	XALCJMVJEUSQLF-FXAWDEMLSA-N	1	1	369.513	2.258	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H](N4CCCC4=O)CC3)C2=O)cc1	ZINC000333684434	554632998	/nfs/dbraw/zinc/63/29/98/554632998.db2.gz	AFOIEYGELUDCQG-HKUYNNGSSA-N	1	1	366.465	2.140	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N(C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000348979456	554707160	/nfs/dbraw/zinc/70/71/60/554707160.db2.gz	WVCLFNZZSGOPRK-RBUKOAKNSA-N	1	1	371.481	2.412	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000613157137	554893964	/nfs/dbraw/zinc/89/39/64/554893964.db2.gz	NSQVLCZNIFXZGY-INIZCTEOSA-N	1	1	365.441	2.053	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1	ZINC000361989468	554942348	/nfs/dbraw/zinc/94/23/48/554942348.db2.gz	GXDHKUNSPMWSEP-QGZVFWFLSA-N	1	1	352.523	2.317	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1	ZINC000361989468	554942349	/nfs/dbraw/zinc/94/23/49/554942349.db2.gz	GXDHKUNSPMWSEP-QGZVFWFLSA-N	1	1	352.523	2.317	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)C[C@H](C)O1	ZINC000362020217	554944822	/nfs/dbraw/zinc/94/48/22/554944822.db2.gz	GVRHLDADCLXSKD-FVJLSDCUSA-N	1	1	355.482	2.301	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1	ZINC000511668130	561877319	/nfs/dbraw/zinc/87/73/19/561877319.db2.gz	RRDNPTDMONPJTK-MGPQQGTHSA-N	1	1	361.408	2.210	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1	ZINC000511668130	561877321	/nfs/dbraw/zinc/87/73/21/561877321.db2.gz	RRDNPTDMONPJTK-MGPQQGTHSA-N	1	1	361.408	2.210	20	30		FEEDMO
C#CC[N@@H+](C[C@@H](O)COC)[C@H]1CCOc2ccc(Br)cc21	ZINC000362984412	555005294	/nfs/dbraw/zinc/00/52/94/555005294.db2.gz	PUWXIHGRIHPWFS-HIFRSBDPSA-N	1	1	354.244	2.215	20	30		FEEDMO
C#CC[N@H+](C[C@@H](O)COC)[C@H]1CCOc2ccc(Br)cc21	ZINC000362984412	555005297	/nfs/dbraw/zinc/00/52/97/555005297.db2.gz	PUWXIHGRIHPWFS-HIFRSBDPSA-N	1	1	354.244	2.215	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)CCc1ccc(C#N)cc1	ZINC000363424118	555101983	/nfs/dbraw/zinc/10/19/83/555101983.db2.gz	OSVXWEXWXJLWKZ-NSISKUIASA-N	1	1	355.482	2.496	20	30		FEEDMO
Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1CNCc1cccc(C#N)c1	ZINC000363533554	555130330	/nfs/dbraw/zinc/13/03/30/555130330.db2.gz	HUDAZSSAPDVRSY-UHFFFAOYSA-N	1	1	352.486	2.032	20	30		FEEDMO
Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNCc1cccc(C#N)c1	ZINC000363533554	555130331	/nfs/dbraw/zinc/13/03/31/555130331.db2.gz	HUDAZSSAPDVRSY-UHFFFAOYSA-N	1	1	352.486	2.032	20	30		FEEDMO
C=CCN(C(=O)N[C@@H]1CCC(=O)N(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364277348	555283017	/nfs/dbraw/zinc/28/30/17/555283017.db2.gz	AQXPTIYVBGYRPH-MOPGFXCFSA-N	1	1	370.497	2.079	20	30		FEEDMO
C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000364681499	555373189	/nfs/dbraw/zinc/37/31/89/555373189.db2.gz	IKBGSYRLHVFWIB-BXWFABGCSA-N	1	1	359.518	2.021	20	30		FEEDMO
C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1	ZINC000512516191	561908169	/nfs/dbraw/zinc/90/81/69/561908169.db2.gz	BPTZNGVZDMCVPR-SFHVURJKSA-N	1	1	361.534	2.395	20	30		FEEDMO
N#CCCn1ccc(=NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)[nH]1	ZINC000364866557	555419341	/nfs/dbraw/zinc/41/93/41/555419341.db2.gz	KMJVNBCJGBCBJO-WIYYLYMNSA-N	1	1	363.465	3.038	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000365357037	555552457	/nfs/dbraw/zinc/55/24/57/555552457.db2.gz	KLVXEBKRHTULDK-HOTGVXAUSA-N	1	1	357.454	2.037	20	30		FEEDMO
Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(F)c(C#N)c3Cl)C2=O)n(C)n1	ZINC000365495183	555590659	/nfs/dbraw/zinc/59/06/59/555590659.db2.gz	XMCLMAWOMWHLCB-AWEZNQCLSA-N	1	1	361.808	2.288	20	30		FEEDMO
C#CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1	ZINC000365534195	555601288	/nfs/dbraw/zinc/60/12/88/555601288.db2.gz	FKJUILUIZBMJQC-PWIZWCRZSA-N	1	1	356.466	2.318	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(Oc2cnc3ccccc3n2)CC1	ZINC000365853513	555683820	/nfs/dbraw/zinc/68/38/20/555683820.db2.gz	CUYVSUQZVIVZIX-HNNXBMFYSA-N	1	1	367.453	2.234	20	30		FEEDMO
CCOC(=O)CCCCC[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000513659955	561946262	/nfs/dbraw/zinc/94/62/62/561946262.db2.gz	IKYYROWTLMWCIR-YWZLYKJASA-N	1	1	355.438	2.455	20	30		FEEDMO
CC(C)(C#N)c1ccccc1C[NH+]1CCN([C@@H]2CCCCNC2=O)CC1	ZINC000366349211	555818372	/nfs/dbraw/zinc/81/83/72/555818372.db2.gz	XHNSROYNPBILGY-LJQANCHMSA-N	1	1	354.498	2.274	20	30		FEEDMO
CC(C)(C#N)c1ccccc1CN1CC[NH+]([C@@H]2CCCCNC2=O)CC1	ZINC000366349211	555818375	/nfs/dbraw/zinc/81/83/75/555818375.db2.gz	XHNSROYNPBILGY-LJQANCHMSA-N	1	1	354.498	2.274	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000366547372	555873769	/nfs/dbraw/zinc/87/37/69/555873769.db2.gz	ZLDONUOLVIJQSL-PMPSAXMXSA-N	1	1	364.490	2.078	20	30		FEEDMO
N#Cc1ccc(S(N)(=O)=O)cc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000366818168	555942348	/nfs/dbraw/zinc/94/23/48/555942348.db2.gz	JUDARKSXZAVEOF-KRWDZBQOSA-N	1	1	370.478	2.282	20	30		FEEDMO
Cc1cc(C#N)nc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1	ZINC000367349970	556025042	/nfs/dbraw/zinc/02/50/42/556025042.db2.gz	WNYFOZVHHCEZMX-HXUWFJFHSA-N	1	1	362.481	2.053	20	30		FEEDMO
COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2	ZINC000367828677	556149121	/nfs/dbraw/zinc/14/91/21/556149121.db2.gz	VPUDBJPFHLPZPK-KXBFYZLASA-N	1	1	352.394	2.383	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1	ZINC000368573021	556350085	/nfs/dbraw/zinc/35/00/85/556350085.db2.gz	QCEFJUFVWHBRFF-MSOLQXFVSA-N	1	1	366.396	2.197	20	30		FEEDMO
C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1	ZINC000368573021	556350089	/nfs/dbraw/zinc/35/00/89/556350089.db2.gz	QCEFJUFVWHBRFF-MSOLQXFVSA-N	1	1	366.396	2.197	20	30		FEEDMO
Cc1noc(C)c1CO[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000368853074	556430168	/nfs/dbraw/zinc/43/01/68/556430168.db2.gz	ICDKJLXGAUAJGA-MJGOQNOKSA-N	1	1	371.437	2.194	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000368925302	556450067	/nfs/dbraw/zinc/45/00/67/556450067.db2.gz	QZXZJIOLVQXVMN-LEWJYISDSA-N	1	1	360.498	2.311	20	30		FEEDMO
COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1OCCCC#N	ZINC000368976610	556465662	/nfs/dbraw/zinc/46/56/62/556465662.db2.gz	XTCSNDAIHJFERV-TXPKVOOTSA-N	1	1	357.454	2.464	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000369365091	556580951	/nfs/dbraw/zinc/58/09/51/556580951.db2.gz	XSZYWAGSTGYLTM-IBGZPJMESA-N	1	1	372.488	2.139	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000369365091	556580954	/nfs/dbraw/zinc/58/09/54/556580954.db2.gz	XSZYWAGSTGYLTM-IBGZPJMESA-N	1	1	372.488	2.139	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCc2cc(OC)c(OC)cc2CC1	ZINC000369384877	556586196	/nfs/dbraw/zinc/58/61/96/556586196.db2.gz	GUMAVAXGXWRBEI-HNNXBMFYSA-N	1	1	359.470	2.113	20	30		FEEDMO
Cn1cc([C@@H]2[C@@H](CNC(=O)Nc3cccc(C#N)c3)CCC[N@H+]2C)cn1	ZINC000369425940	556597957	/nfs/dbraw/zinc/59/79/57/556597957.db2.gz	YBYOAFAHYGJOQX-QAPCUYQASA-N	1	1	352.442	2.496	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCCc1cccc(C#N)c1	ZINC000369873669	556718434	/nfs/dbraw/zinc/71/84/34/556718434.db2.gz	MOEGGCXBTQMTDH-LSTHTHJFSA-N	1	1	370.497	2.289	20	30		FEEDMO
C[C@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[N@H+]1CCCC[C@H]1C	ZINC000516564764	562048500	/nfs/dbraw/zinc/04/85/00/562048500.db2.gz	GXZNYTIURGSWGM-IAGOWNOFSA-N	1	1	370.501	2.048	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC2)n1	ZINC000370121025	556786394	/nfs/dbraw/zinc/78/63/94/556786394.db2.gz	JJOKSJKPWPVSLF-UHFFFAOYSA-N	1	1	359.817	2.411	20	30		FEEDMO
Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)c(C)c1	ZINC000370123931	556786910	/nfs/dbraw/zinc/78/69/10/556786910.db2.gz	UFMWPNMCXUSDLS-HNNXBMFYSA-N	1	1	352.442	2.431	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H](N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)C1=O	ZINC000370236650	556819055	/nfs/dbraw/zinc/81/90/55/556819055.db2.gz	SXLOBHNUWGUWMO-YVSFHVDLSA-N	1	1	356.495	2.141	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(C(=O)Nc3cccnc3)CC2)CCCCC1	ZINC000370587314	556915396	/nfs/dbraw/zinc/91/53/96/556915396.db2.gz	HRAHVHRFLBIPTG-UHFFFAOYSA-N	1	1	369.469	2.075	20	30		FEEDMO
CC(C)[N@H+]1CCO[C@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000370601174	556918632	/nfs/dbraw/zinc/91/86/32/556918632.db2.gz	FULUISCDOLTHDC-INIZCTEOSA-N	1	1	354.372	2.282	20	30		FEEDMO
CC(C)Oc1ccc([C@@H](CNS(=O)(=O)CCCC#N)[NH+](C)C)cc1	ZINC000516884618	562062854	/nfs/dbraw/zinc/06/28/54/562062854.db2.gz	HANMJPRERJVYEW-QGZVFWFLSA-N	1	1	353.488	2.300	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000370896833	557006919	/nfs/dbraw/zinc/00/69/19/557006919.db2.gz	CVNPDKDCQMZDID-OAHLLOKOSA-N	1	1	360.483	2.425	20	30		FEEDMO
N#Cc1ccccc1S(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1	ZINC000371018528	557047369	/nfs/dbraw/zinc/04/73/69/557047369.db2.gz	NQMSQSFCIWNCST-QGZVFWFLSA-N	1	1	370.478	2.144	20	30		FEEDMO
N#Cc1ccccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1	ZINC000371018528	557047373	/nfs/dbraw/zinc/04/73/73/557047373.db2.gz	NQMSQSFCIWNCST-QGZVFWFLSA-N	1	1	370.478	2.144	20	30		FEEDMO
C[C@H]1CC(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000371183136	557099933	/nfs/dbraw/zinc/09/99/33/557099933.db2.gz	HXWZQXHXGTZDEO-LBPRGKRZSA-N	1	1	360.483	2.038	20	30		FEEDMO
Cc1nnc(N2CCC[N@@H+](Cc3cnn(C(C)C)c3)CC2)c(C#N)c1C	ZINC000371620364	557241975	/nfs/dbraw/zinc/24/19/75/557241975.db2.gz	BCLGFKFEEACUPS-UHFFFAOYSA-N	1	1	353.474	2.455	20	30		FEEDMO
Cc1nnc(N2CCC[N@H+](Cc3cnn(C(C)C)c3)CC2)c(C#N)c1C	ZINC000371620364	557241980	/nfs/dbraw/zinc/24/19/80/557241980.db2.gz	BCLGFKFEEACUPS-UHFFFAOYSA-N	1	1	353.474	2.455	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CCC[N@H+]2CCC[C@H]2C1	ZINC000371720633	557274183	/nfs/dbraw/zinc/27/41/83/557274183.db2.gz	YYQFTJVGBYUENY-INIZCTEOSA-N	1	1	358.442	2.285	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1	ZINC000518218335	562106550	/nfs/dbraw/zinc/10/65/50/562106550.db2.gz	GZOFOBZQNDSYDB-IBGZPJMESA-N	1	1	357.498	2.186	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1	ZINC000372038227	557363764	/nfs/dbraw/zinc/36/37/64/557363764.db2.gz	NBRPQAWSJSBCHJ-QGZVFWFLSA-N	1	1	368.437	2.304	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1C#N	ZINC000518792486	562118636	/nfs/dbraw/zinc/11/86/36/562118636.db2.gz	JWVJBYSJGUFKTB-UHFFFAOYSA-N	1	1	368.466	2.238	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)Nc3c[nH+]ccc3-n3cccn3)cc2C1=O	ZINC000518895407	562120559	/nfs/dbraw/zinc/12/05/59/562120559.db2.gz	YDXDMGSDKDUIGI-UHFFFAOYSA-N	1	1	373.372	2.302	20	30		FEEDMO
C[NH+]1CCC(CNC(=O)Nc2cccc(C#N)n2)(N2CCCCC2)CC1	ZINC000519152143	562125972	/nfs/dbraw/zinc/12/59/72/562125972.db2.gz	AVUKPJPJPSJZAA-UHFFFAOYSA-N	1	1	356.474	2.025	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H]4CCCCCC[C@@H]43)CC2)o1	ZINC000372585785	557513379	/nfs/dbraw/zinc/51/33/79/557513379.db2.gz	JVGFXTKFGRXRBD-WMZOPIPTSA-N	1	1	371.485	2.158	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1	ZINC000519523001	562133284	/nfs/dbraw/zinc/13/32/84/562133284.db2.gz	KFHGTMPNAFAGRG-GFCCVEGCSA-N	1	1	362.499	2.314	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)n1	ZINC000372640585	557527464	/nfs/dbraw/zinc/52/74/64/557527464.db2.gz	OXVQDTWTZKEEDB-QGZVFWFLSA-N	1	1	363.425	2.481	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)n1	ZINC000372640585	557527469	/nfs/dbraw/zinc/52/74/69/557527469.db2.gz	OXVQDTWTZKEEDB-QGZVFWFLSA-N	1	1	363.425	2.481	20	30		FEEDMO
N#Cc1ccccc1Cn1cccc1CNC[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000372671967	557534208	/nfs/dbraw/zinc/53/42/08/557534208.db2.gz	FTOYBWKXHLVVQP-RTWAWAEBSA-N	1	1	350.466	2.361	20	30		FEEDMO
COC(=O)c1ccc(N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c(C#N)n1	ZINC000520254477	562152001	/nfs/dbraw/zinc/15/20/01/562152001.db2.gz	ZALSJGDPMRDOIQ-MRXNPFEDSA-N	1	1	350.422	2.103	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000373700194	557741256	/nfs/dbraw/zinc/74/12/56/557741256.db2.gz	LSGCVXREKOXSAT-APWZRJJASA-N	1	1	368.481	2.040	20	30		FEEDMO
CN(C(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1)c1ccccc1	ZINC000374046177	557813286	/nfs/dbraw/zinc/81/32/86/557813286.db2.gz	RJLDQYOEXOTBCX-QGZVFWFLSA-N	1	1	362.433	2.482	20	30		FEEDMO
CN(C(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1)c1ccccc1	ZINC000374046177	557813287	/nfs/dbraw/zinc/81/32/87/557813287.db2.gz	RJLDQYOEXOTBCX-QGZVFWFLSA-N	1	1	362.433	2.482	20	30		FEEDMO
CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000374333346	557867302	/nfs/dbraw/zinc/86/73/02/557867302.db2.gz	UOUFMUSSMUUXPQ-KLHJMIIUSA-N	1	1	366.465	2.121	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)c1	ZINC000374556511	557899379	/nfs/dbraw/zinc/89/93/79/557899379.db2.gz	MRMAKLCOASLPBE-QFIPXVFZSA-N	1	1	363.461	2.201	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)c1	ZINC000374556511	557899381	/nfs/dbraw/zinc/89/93/81/557899381.db2.gz	MRMAKLCOASLPBE-QFIPXVFZSA-N	1	1	363.461	2.201	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[NH2+][C@@H](c1ccc(OC)cc1)c1ccc2c(c1)CCO2	ZINC000375119027	557980434	/nfs/dbraw/zinc/98/04/34/557980434.db2.gz	BMNPAORQEZWDOW-BTYIYWSLSA-N	1	1	364.445	2.447	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)COc1ccc(C#N)cc1	ZINC000375274818	558002772	/nfs/dbraw/zinc/00/27/72/558002772.db2.gz	KNBHQODLFSMJHK-RXVVDRJESA-N	1	1	364.449	2.483	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@]4(C3)C(=O)Nc3ccccc34)C2=O)cc1	ZINC000375316566	558008052	/nfs/dbraw/zinc/00/80/52/558008052.db2.gz	ADXAAFIPVWNUPL-SIKLNZKXSA-N	1	1	372.428	2.259	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+]([C@H]2CCc3ccccc3NC2=O)CC1	ZINC000375462786	558031436	/nfs/dbraw/zinc/03/14/36/558031436.db2.gz	SYJVGSQPXDUXNQ-IBGZPJMESA-N	1	1	361.449	2.419	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+]([C@H]2CCc3ccccc3NC2=O)CC1	ZINC000375462786	558031437	/nfs/dbraw/zinc/03/14/37/558031437.db2.gz	SYJVGSQPXDUXNQ-IBGZPJMESA-N	1	1	361.449	2.419	20	30		FEEDMO
CC(C)n1nc2c(cc1=O)C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC2	ZINC000375884009	558093456	/nfs/dbraw/zinc/09/34/56/558093456.db2.gz	USUNAJVJBQIHSR-UHFFFAOYSA-N	1	1	365.437	2.083	20	30		FEEDMO
CC(C)N1CCN([C@H]2CC[N@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000375890715	558094654	/nfs/dbraw/zinc/09/46/54/558094654.db2.gz	NUBNHRTYGZKFHB-FQEVSTJZSA-N	1	1	356.514	2.427	20	30		FEEDMO
CC(C)N1CCN([C@H]2CC[N@@H+](CCCOc3ccc(C#N)cc3)C2)CC1	ZINC000375890715	558094656	/nfs/dbraw/zinc/09/46/56/558094656.db2.gz	NUBNHRTYGZKFHB-FQEVSTJZSA-N	1	1	356.514	2.427	20	30		FEEDMO
N#Cc1ccc(S(N)(=O)=O)cc1N[C@@H]1CCC[N@H+](C2CCCCC2)C1	ZINC000376189793	558138806	/nfs/dbraw/zinc/13/88/06/558138806.db2.gz	TVYKUFJNJMJMRH-OAHLLOKOSA-N	1	1	362.499	2.415	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@H+]3CCCN(c4cncc(F)c4)CC3)n2c1	ZINC000377246981	558297611	/nfs/dbraw/zinc/29/76/11/558297611.db2.gz	XUARDJGWWAIJPK-UHFFFAOYSA-N	1	1	350.401	2.452	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@@H+]3CCCN(c4cncc(F)c4)CC3)n2c1	ZINC000377246981	558297615	/nfs/dbraw/zinc/29/76/15/558297615.db2.gz	XUARDJGWWAIJPK-UHFFFAOYSA-N	1	1	350.401	2.452	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1	ZINC000522061918	562190610	/nfs/dbraw/zinc/19/06/10/562190610.db2.gz	BHAAQOMGLNKROF-SFHVURJKSA-N	1	1	361.486	2.407	20	30		FEEDMO
N#CCCCCS(=O)(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1	ZINC000377770846	558416628	/nfs/dbraw/zinc/41/66/28/558416628.db2.gz	QWQQALBUDWGGAF-RTBURBONSA-N	1	1	361.511	2.464	20	30		FEEDMO
N#CCOc1ccc(CNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1	ZINC000377808969	558424145	/nfs/dbraw/zinc/42/41/45/558424145.db2.gz	JPFWUCCHDHOELD-YTQUADARSA-N	1	1	354.454	2.215	20	30		FEEDMO
N#Cc1ccc(Cn2cnc(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)n2)cc1	ZINC000378008444	558462236	/nfs/dbraw/zinc/46/22/36/558462236.db2.gz	IPQCBDXQCYCRLK-IRXDYDNUSA-N	1	1	350.426	2.011	20	30		FEEDMO
C[N@@H+](C[C@H]1CC12CCN(C(=O)C#Cc1ccc3c(c1)OCO3)CC2)C1CC1	ZINC000378352306	558536680	/nfs/dbraw/zinc/53/66/80/558536680.db2.gz	CUFUWDMFYWDNJS-QGZVFWFLSA-N	1	1	366.461	2.490	20	30		FEEDMO
Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)cn1	ZINC000378357588	558537601	/nfs/dbraw/zinc/53/76/01/558537601.db2.gz	CKFFBKHZPGWEER-HKUYNNGSSA-N	1	1	367.453	2.208	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1	ZINC000378459542	558562534	/nfs/dbraw/zinc/56/25/34/558562534.db2.gz	UAQWJEUSAZPSTG-GJYPPUQNSA-N	1	1	358.461	2.487	20	30		FEEDMO
COCCn1cc2c(n1)[C@@H]([NH2+]Cc1cnc3ccc(C#N)cn13)CCC2	ZINC000378556490	558581944	/nfs/dbraw/zinc/58/19/44/558581944.db2.gz	ALEQVFQGCRRWIB-KRWDZBQOSA-N	1	1	350.426	2.216	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1C#N	ZINC000386500160	558607078	/nfs/dbraw/zinc/60/70/78/558607078.db2.gz	YXSYNAWUARELBG-CQSZACIVSA-N	1	1	358.467	2.061	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)c(F)c1	ZINC000523818312	562220336	/nfs/dbraw/zinc/22/03/36/562220336.db2.gz	ZKGQPNWSHQJIOR-PKOBYXMFSA-N	1	1	371.460	2.156	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000398059184	558626288	/nfs/dbraw/zinc/62/62/88/558626288.db2.gz	BGKJNXOGDPGINS-KDOFPFPSSA-N	1	1	370.478	2.203	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1C#N	ZINC000398059184	558626291	/nfs/dbraw/zinc/62/62/91/558626291.db2.gz	BGKJNXOGDPGINS-KDOFPFPSSA-N	1	1	370.478	2.203	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[N@H+](C)C[C@H]3C(C)C)C2)n1	ZINC000408283602	558663877	/nfs/dbraw/zinc/66/38/77/558663877.db2.gz	MNIDUTJTCRWLHS-MOPGFXCFSA-N	1	1	369.513	2.277	20	30		FEEDMO
CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)N(C)C[C@H](C)C#N	ZINC000409507843	558698879	/nfs/dbraw/zinc/69/88/79/558698879.db2.gz	BJCNSUXJONHWML-SJLPKXTDSA-N	1	1	366.531	2.069	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](c1ccsc1)[NH+](CC)CC	ZINC000409575713	558704646	/nfs/dbraw/zinc/70/46/46/558704646.db2.gz	KXWYUZMHLSNJGI-GOEBONIOSA-N	1	1	372.560	2.447	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1	ZINC000410130908	558740595	/nfs/dbraw/zinc/74/05/95/558740595.db2.gz	OYAPYMMPZABGIH-UHFFFAOYSA-N	1	1	364.515	2.063	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1	ZINC000410130908	558740597	/nfs/dbraw/zinc/74/05/97/558740597.db2.gz	OYAPYMMPZABGIH-UHFFFAOYSA-N	1	1	364.515	2.063	20	30		FEEDMO
C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCN1c1nccn2cnnc12	ZINC000411381400	558886512	/nfs/dbraw/zinc/88/65/12/558886512.db2.gz	CTMWYGPHGZEIBJ-INIZCTEOSA-N	1	1	353.474	2.499	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)CCC1	ZINC000525886091	562258630	/nfs/dbraw/zinc/25/86/30/562258630.db2.gz	YKHOJPRWOAUSKS-MRXNPFEDSA-N	1	1	364.453	2.214	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)CCC1	ZINC000525886091	562258631	/nfs/dbraw/zinc/25/86/31/562258631.db2.gz	YKHOJPRWOAUSKS-MRXNPFEDSA-N	1	1	364.453	2.214	20	30		FEEDMO
Cc1cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413127148	559080856	/nfs/dbraw/zinc/08/08/56/559080856.db2.gz	AOYCQOXIDDRHDN-KRWDZBQOSA-N	1	1	357.458	2.381	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C	ZINC000413840429	559134184	/nfs/dbraw/zinc/13/41/84/559134184.db2.gz	VFJNEBNKMJWGOY-PKOBYXMFSA-N	1	1	373.497	2.453	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C	ZINC000413840429	559134185	/nfs/dbraw/zinc/13/41/85/559134185.db2.gz	VFJNEBNKMJWGOY-PKOBYXMFSA-N	1	1	373.497	2.453	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1	ZINC000527048601	562274679	/nfs/dbraw/zinc/27/46/79/562274679.db2.gz	UOZSGTLHJIBEQE-AWEZNQCLSA-N	1	1	372.444	2.427	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(C#N)cc1Br	ZINC000419346357	559438761	/nfs/dbraw/zinc/43/87/61/559438761.db2.gz	VBPUCYGUXWZXPK-QWHCGFSZSA-N	1	1	352.276	2.208	20	30		FEEDMO
C[N@@H+](CCCO)C1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1	ZINC000419633457	559450673	/nfs/dbraw/zinc/45/06/73/559450673.db2.gz	HBBIVVUXPUSCBW-HXUWFJFHSA-N	1	1	370.497	2.424	20	30		FEEDMO
C=CCC[C@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)C1=O	ZINC000420078811	559471482	/nfs/dbraw/zinc/47/14/82/559471482.db2.gz	DFOKASMRNRDKBW-IPMKNSEASA-N	1	1	371.481	2.410	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@@H](C)C[C@H](CO)C1	ZINC000420950826	559513610	/nfs/dbraw/zinc/51/36/10/559513610.db2.gz	WQPFRBODLDJKEH-ULQDDVLXSA-N	1	1	359.470	2.281	20	30		FEEDMO
CC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000420975680	559516345	/nfs/dbraw/zinc/51/63/45/559516345.db2.gz	AGUVTNWMARVPPD-AWEZNQCLSA-N	1	1	374.510	2.428	20	30		FEEDMO
CNC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1	ZINC000420980494	559516850	/nfs/dbraw/zinc/51/68/50/559516850.db2.gz	USMIHXKBWHNSJS-OLZOCXBDSA-N	1	1	374.510	2.141	20	30		FEEDMO
CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[N@H+]1C	ZINC000420996224	559518573	/nfs/dbraw/zinc/51/85/73/559518573.db2.gz	FRBXDTYXBLPIBF-KRWDZBQOSA-N	1	1	367.415	2.199	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C#N)cn1CC	ZINC000421189384	559530117	/nfs/dbraw/zinc/53/01/17/559530117.db2.gz	ZYJKWTLRFCLSDP-LJQANCHMSA-N	1	1	373.457	2.116	20	30		FEEDMO
CCOCC[N@H+]1CCN(C(=O)NCc2ccc(C#N)s2)C[C@@H]1CC	ZINC000422219642	559572164	/nfs/dbraw/zinc/57/21/64/559572164.db2.gz	OVKJUTVSECXEKI-AWEZNQCLSA-N	1	1	350.488	2.262	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1	ZINC000422307704	559577401	/nfs/dbraw/zinc/57/74/01/559577401.db2.gz	OMHFXMXLRJNVJM-WMZOPIPTSA-N	1	1	370.497	2.212	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCC(C)(C)CC#N	ZINC000422343172	559579928	/nfs/dbraw/zinc/57/99/28/559579928.db2.gz	SGPJNNMNURFVAA-FUHWJXTLSA-N	1	1	370.497	2.069	20	30		FEEDMO
C=CCOc1ccc(C(=O)NC2CCC([NH+]3CCNCC3)CC2)cc1OC	ZINC000423950951	559647770	/nfs/dbraw/zinc/64/77/70/559647770.db2.gz	OITLZNZJDPPRIW-UHFFFAOYSA-N	1	1	373.497	2.206	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1	ZINC000424501918	559667753	/nfs/dbraw/zinc/66/77/53/559667753.db2.gz	OTBYDIXGQWMNOW-MSOLQXFVSA-N	1	1	374.481	2.159	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1	ZINC000424501918	559667754	/nfs/dbraw/zinc/66/77/54/559667754.db2.gz	OTBYDIXGQWMNOW-MSOLQXFVSA-N	1	1	374.481	2.159	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CC[NH+](C(C)(C)COC)CC2)cc1OC	ZINC000425000270	559682978	/nfs/dbraw/zinc/68/29/78/559682978.db2.gz	MTZOGRZCTOUPBY-UHFFFAOYSA-N	1	1	362.470	2.443	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)nn1	ZINC000425430210	559702017	/nfs/dbraw/zinc/70/20/17/559702017.db2.gz	DPVIDRLMPKLPJL-LJQANCHMSA-N	1	1	368.485	2.318	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000425458144	559703133	/nfs/dbraw/zinc/70/31/33/559703133.db2.gz	LWAWLMFCOBKNNI-BJLQDIEVSA-N	1	1	372.513	2.087	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN(C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000425547027	559709062	/nfs/dbraw/zinc/70/90/62/559709062.db2.gz	WWNUUXFAOFNTEW-XLIONFOSSA-N	1	1	372.513	2.024	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000425995181	559727153	/nfs/dbraw/zinc/72/71/53/559727153.db2.gz	TVVOZFJCHZORFE-UGKGYDQZSA-N	1	1	371.525	2.144	20	30		FEEDMO
Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(C)c1	ZINC000428771055	559783015	/nfs/dbraw/zinc/78/30/15/559783015.db2.gz	HGDJZWAMWBYFQJ-OALUTQOASA-N	1	1	367.449	2.463	20	30		FEEDMO
C[C@@H](c1ccccc1)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C(N)=O	ZINC000428860741	559784970	/nfs/dbraw/zinc/78/49/70/559784970.db2.gz	NHMOVURUZTWKQN-SGTLLEGYSA-N	1	1	370.840	2.397	20	30		FEEDMO
C[C@H]1C[C@H]1[N@H+]1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)C1	ZINC000429019583	559788678	/nfs/dbraw/zinc/78/86/78/559788678.db2.gz	JNKUVQHNZFLHMN-WOUAJJJCSA-N	1	1	352.482	2.326	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1	ZINC000429128424	559791415	/nfs/dbraw/zinc/79/14/15/559791415.db2.gz	PFXJUOLWMBLXFO-VBNZEHGJSA-N	1	1	350.846	2.219	20	30		FEEDMO
Cc1[nH]nc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1C#N	ZINC000431444383	559839288	/nfs/dbraw/zinc/83/92/88/559839288.db2.gz	JXPSNOFDDALECT-STQMWFEESA-N	1	1	353.426	2.451	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(C)CC(C)(C)C#N	ZINC000433282524	559875705	/nfs/dbraw/zinc/87/57/05/559875705.db2.gz	BHJUIUFVWGKBRQ-KRWDZBQOSA-N	1	1	372.513	2.005	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C#N)s1)c1cccc(F)c1	ZINC000435437013	559923016	/nfs/dbraw/zinc/92/30/16/559923016.db2.gz	IDMJUYWEOVSOSE-CQSZACIVSA-N	1	1	353.444	2.340	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc(F)cc3)CC2)CCC1	ZINC000527384703	562287401	/nfs/dbraw/zinc/28/74/01/562287401.db2.gz	XAINKZFXJZGMNU-UHFFFAOYSA-N	1	1	358.417	2.039	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000437625552	559966947	/nfs/dbraw/zinc/96/69/47/559966947.db2.gz	PDGWBLNKLCLEKB-PMACEKPBSA-N	1	1	373.497	2.299	20	30		FEEDMO
COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3Cl)C2)nn1	ZINC000439461209	559994419	/nfs/dbraw/zinc/99/44/19/559994419.db2.gz	ZUFYYOIGZVUATM-AWEZNQCLSA-N	1	1	359.817	2.427	20	30		FEEDMO
COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)nn1	ZINC000439461209	559994420	/nfs/dbraw/zinc/99/44/20/559994420.db2.gz	ZUFYYOIGZVUATM-AWEZNQCLSA-N	1	1	359.817	2.427	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000440989653	560020924	/nfs/dbraw/zinc/02/09/24/560020924.db2.gz	UNCFPGLTMIDHMV-UHFFFAOYSA-N	1	1	350.532	2.472	20	30		FEEDMO
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCC(=O)Nc1cccc(C#N)c1	ZINC000441250369	560027246	/nfs/dbraw/zinc/02/72/46/560027246.db2.gz	QIQXFDWTIHSMKZ-QYZOEREBSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@H](C#N)CN(C(=O)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)C1CC1	ZINC000441940997	560041348	/nfs/dbraw/zinc/04/13/48/560041348.db2.gz	GDJGBPPMVZYWLW-OAHLLOKOSA-N	1	1	368.481	2.412	20	30		FEEDMO
C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000442272797	560047496	/nfs/dbraw/zinc/04/74/96/560047496.db2.gz	UHAKXCUUVWHXTC-QWRGUYRKSA-N	1	1	368.359	2.067	20	30		FEEDMO
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000442272797	560047497	/nfs/dbraw/zinc/04/74/97/560047497.db2.gz	UHAKXCUUVWHXTC-QWRGUYRKSA-N	1	1	368.359	2.067	20	30		FEEDMO
Cc1cc(C)c(C(=O)NC2CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)o1	ZINC000527578175	562295964	/nfs/dbraw/zinc/29/59/64/562295964.db2.gz	PEMRVFPWOKYCJH-HNNXBMFYSA-N	1	1	372.469	2.042	20	30		FEEDMO
N#CC(CC[N@@H+]1CC[C@H](S(N)(=O)=O)C1)(c1ccccc1)c1ccccc1	ZINC000444668246	560117908	/nfs/dbraw/zinc/11/79/08/560117908.db2.gz	ZIPBKHBLDKFVCV-IBGZPJMESA-N	1	1	369.490	2.249	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1	ZINC000447820798	560169994	/nfs/dbraw/zinc/16/99/94/560169994.db2.gz	HZLVANMKAHRTAE-HKUYNNGSSA-N	1	1	361.482	2.425	20	30		FEEDMO
C[C@@H]1C[C@]1(C#N)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1	ZINC000448739091	560197353	/nfs/dbraw/zinc/19/73/53/560197353.db2.gz	SHOOGDGUORNWNR-WIYYLYMNSA-N	1	1	354.498	2.250	20	30		FEEDMO
CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1	ZINC000448900490	560205680	/nfs/dbraw/zinc/20/56/80/560205680.db2.gz	ZRBNNPLSQIAPTG-CQSZACIVSA-N	1	1	374.872	2.165	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000448982110	560210286	/nfs/dbraw/zinc/21/02/86/560210286.db2.gz	WIUVMTRLOOCMMK-DZGCQCFKSA-N	1	1	374.872	2.117	20	30		FEEDMO
N#CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)c1	ZINC000451052896	560284755	/nfs/dbraw/zinc/28/47/55/560284755.db2.gz	FZOWOMWWGPSLBJ-CABCVRRESA-N	1	1	353.875	2.311	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1	ZINC000451232020	560294561	/nfs/dbraw/zinc/29/45/61/560294561.db2.gz	WZQCHZRJKDUIPZ-DLBZAZTESA-N	1	1	362.433	2.168	20	30		FEEDMO
C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000451880589	560334060	/nfs/dbraw/zinc/33/40/60/560334060.db2.gz	WZPXEQDVXIVICT-HOCLYGCPSA-N	1	1	371.403	2.114	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H]([C@H](O)C(F)(F)F)C3)C2=O)cc1	ZINC000451882235	560334365	/nfs/dbraw/zinc/33/43/65/560334365.db2.gz	CJJZTMSFOGCRMF-KBMXLJTQSA-N	1	1	367.371	2.299	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H]([C@H](O)C(F)(F)F)C3)C2=O)cc1	ZINC000451882235	560334366	/nfs/dbraw/zinc/33/43/66/560334366.db2.gz	CJJZTMSFOGCRMF-KBMXLJTQSA-N	1	1	367.371	2.299	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]1c1ccccc1	ZINC000451994621	560343581	/nfs/dbraw/zinc/34/35/81/560343581.db2.gz	MHQCIPFMOXDYCP-QZTJIDSGSA-N	1	1	369.465	2.218	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@@H]1c1ccccc1	ZINC000451994621	560343582	/nfs/dbraw/zinc/34/35/82/560343582.db2.gz	MHQCIPFMOXDYCP-QZTJIDSGSA-N	1	1	369.465	2.218	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CCOCC)CC1	ZINC000453459487	560387194	/nfs/dbraw/zinc/38/71/94/560387194.db2.gz	CIPMLFQAKNPFCN-KRWDZBQOSA-N	1	1	363.506	2.254	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1	ZINC000453589059	560389985	/nfs/dbraw/zinc/38/99/85/560389985.db2.gz	FEECXRIYBYUBCI-HNNXBMFYSA-N	1	1	356.470	2.434	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000453615767	560391410	/nfs/dbraw/zinc/39/14/10/560391410.db2.gz	GEKUVYAZFHUPCR-AWEZNQCLSA-N	1	1	362.861	2.193	20	30		FEEDMO
CCC[NH+]1CCN(C(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)CC1	ZINC000453626816	560391932	/nfs/dbraw/zinc/39/19/32/560391932.db2.gz	UHLCIFPELZXKTM-UHFFFAOYSA-N	1	1	362.499	2.410	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453629497	560392099	/nfs/dbraw/zinc/39/20/99/560392099.db2.gz	XXGMJKYPUDLQEM-HNNXBMFYSA-N	1	1	356.470	2.318	20	30		FEEDMO
N#CCc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c(Cl)c1	ZINC000453647395	560393184	/nfs/dbraw/zinc/39/31/84/560393184.db2.gz	VSFUYGMLPZBYJF-CQSZACIVSA-N	1	1	374.872	2.478	20	30		FEEDMO
CC(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(=O)NCC[NH+]3CCC3)sc2C1	ZINC000453671024	560395394	/nfs/dbraw/zinc/39/53/94/560395394.db2.gz	LRZGOTOGWBLBLT-CYBMUJFWSA-N	1	1	374.510	2.141	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000453674458	560395757	/nfs/dbraw/zinc/39/57/57/560395757.db2.gz	RGLQQGWICVTMLM-LPHOPBHVSA-N	1	1	366.465	2.281	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453679638	560396063	/nfs/dbraw/zinc/39/60/63/560396063.db2.gz	YOEIHBPETZRQMB-QGZVFWFLSA-N	1	1	356.470	2.175	20	30		FEEDMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453706824	560398476	/nfs/dbraw/zinc/39/84/76/560398476.db2.gz	GHSHYDGFBHGVAX-JSGCOSHPSA-N	1	1	360.845	2.040	20	30		FEEDMO
CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC1	ZINC000453992292	560420248	/nfs/dbraw/zinc/42/02/48/560420248.db2.gz	GXRVBTUXWCOBTC-ZDUSSCGKSA-N	1	1	362.861	2.287	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CCO)C[C@H]1C	ZINC000454751557	560456801	/nfs/dbraw/zinc/45/68/01/560456801.db2.gz	KTVBPKAUOMUOMC-LSDHHAIUSA-N	1	1	362.499	2.469	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C	ZINC000454751557	560456802	/nfs/dbraw/zinc/45/68/02/560456802.db2.gz	KTVBPKAUOMUOMC-LSDHHAIUSA-N	1	1	362.499	2.469	20	30		FEEDMO
C=CC(C)(C)CNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000455360684	560479504	/nfs/dbraw/zinc/47/95/04/560479504.db2.gz	CRBIBHVOMWHIMJ-SFHVURJKSA-N	1	1	372.513	2.395	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1	ZINC000456009289	560504317	/nfs/dbraw/zinc/50/43/17/560504317.db2.gz	SNPZGMARLFTURA-FQEVSTJZSA-N	1	1	364.449	2.407	20	30		FEEDMO
Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)ncc1C#N	ZINC000457692674	560582105	/nfs/dbraw/zinc/58/21/05/560582105.db2.gz	GWTBBJYZVODOFQ-IBGZPJMESA-N	1	1	364.449	2.148	20	30		FEEDMO
CN(CC(C)(C)C#N)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000457707179	560582887	/nfs/dbraw/zinc/58/28/87/560582887.db2.gz	AMQLKQRVVYYJDH-UHFFFAOYSA-N	1	1	371.529	2.385	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC	ZINC000458734777	560644565	/nfs/dbraw/zinc/64/45/65/560644565.db2.gz	MTTXLPWWHMCUPO-BSLJZLGVSA-N	1	1	365.518	2.251	20	30		FEEDMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[C@@H](CC#N)C1	ZINC000459005234	560661265	/nfs/dbraw/zinc/66/12/65/560661265.db2.gz	HLSBZUKAVCCPOI-CUWPLCDZSA-N	1	1	370.497	2.347	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1	ZINC000467313832	560908461	/nfs/dbraw/zinc/90/84/61/560908461.db2.gz	HJYVCFRZFJCBSV-HOTGVXAUSA-N	1	1	359.470	2.269	20	30		FEEDMO
N#CCCCn1cc(C(=O)NCC[N@H+]2CCCOCC2)c2ccccc21	ZINC000469834536	560965931	/nfs/dbraw/zinc/96/59/31/560965931.db2.gz	PNIBDUKSXMPCJB-UHFFFAOYSA-N	1	1	354.454	2.397	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H]1C	ZINC000469998849	560971351	/nfs/dbraw/zinc/97/13/51/560971351.db2.gz	HVHJGAIMBUUTPC-NWDGAFQWSA-N	1	1	361.467	2.320	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@](C)(C(=O)OC)C2)cc1	ZINC000470033059	560972460	/nfs/dbraw/zinc/97/24/60/560972460.db2.gz	VICWAUNVXFXIBR-FQEVSTJZSA-N	1	1	373.453	2.217	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@](C)(C(=O)OC)C2)cc1	ZINC000470033059	560972461	/nfs/dbraw/zinc/97/24/61/560972461.db2.gz	VICWAUNVXFXIBR-FQEVSTJZSA-N	1	1	373.453	2.217	20	30		FEEDMO
C=CCOCCC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1	ZINC000470868592	560992379	/nfs/dbraw/zinc/99/23/79/560992379.db2.gz	OANZMPBBRHMPPR-DNVCBOLYSA-N	1	1	355.442	2.473	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1	ZINC000471065889	560997535	/nfs/dbraw/zinc/99/75/35/560997535.db2.gz	KUBMOOQCRDPLJY-RBUKOAKNSA-N	1	1	370.497	2.257	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1	ZINC000471065889	560997536	/nfs/dbraw/zinc/99/75/36/560997536.db2.gz	KUBMOOQCRDPLJY-RBUKOAKNSA-N	1	1	370.497	2.257	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1	ZINC000473296417	561046935	/nfs/dbraw/zinc/04/69/35/561046935.db2.gz	ZYPVVNJWNFQLKK-KRWDZBQOSA-N	1	1	371.481	2.380	20	30		FEEDMO
CCCNC(=O)C[NH+]1CCC(NC(=O)C[C@H](CC#N)c2ccccc2)CC1	ZINC000474781020	561082667	/nfs/dbraw/zinc/08/26/67/561082667.db2.gz	UQADYRQSNWMRFC-SFHVURJKSA-N	1	1	370.497	2.181	20	30		FEEDMO
C=C(C)COCCNC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1	ZINC000475069671	561089476	/nfs/dbraw/zinc/08/94/76/561089476.db2.gz	ZRAISIZDBMZZCQ-UHFFFAOYSA-N	1	1	374.529	2.038	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2ccsc2)CC1	ZINC000528341618	562323651	/nfs/dbraw/zinc/32/36/51/562323651.db2.gz	WHXSSUYSZAZCLF-SFHVURJKSA-N	1	1	357.479	2.177	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C	ZINC000528399347	562326947	/nfs/dbraw/zinc/32/69/47/562326947.db2.gz	VVWVPUYUAXVJRG-SJORKVTESA-N	1	1	353.466	2.091	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1	ZINC000528405182	562327246	/nfs/dbraw/zinc/32/72/46/562327246.db2.gz	SIIRNGHPUXTFOP-KSZLIROESA-N	1	1	356.422	2.479	20	30		FEEDMO
CC(C)n1cnnc1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528422934	562328479	/nfs/dbraw/zinc/32/84/79/562328479.db2.gz	GRJLHPQQOPLICB-QZTJIDSGSA-N	1	1	369.469	2.350	20	30		FEEDMO
C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cccnc1C#N	ZINC000528529180	562334284	/nfs/dbraw/zinc/33/42/84/562334284.db2.gz	GWVXGMOPCWXANE-YJBOKZPZSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1cccnc1C#N	ZINC000528529180	562334285	/nfs/dbraw/zinc/33/42/85/562334285.db2.gz	GWVXGMOPCWXANE-YJBOKZPZSA-N	1	1	370.478	2.142	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1	ZINC000528534676	562334753	/nfs/dbraw/zinc/33/47/53/562334753.db2.gz	CZMUMGVZXVZRNJ-QFBILLFUSA-N	1	1	352.434	2.177	20	30		FEEDMO
COCCC1CC[NH+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1	ZINC000530093939	562397943	/nfs/dbraw/zinc/39/79/43/562397943.db2.gz	GUIHAQZPCJAKSL-FQEVSTJZSA-N	1	1	370.453	2.031	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1	ZINC000531283689	562440619	/nfs/dbraw/zinc/44/06/19/562440619.db2.gz	KDVXVODOYICVAK-LSDHHAIUSA-N	1	1	374.510	2.335	20	30		FEEDMO
C=CC[N@H+](Cc1cn2cccnc2n1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000531904869	562460917	/nfs/dbraw/zinc/46/09/17/562460917.db2.gz	JFDSYVRMGZSPDL-HNNXBMFYSA-N	1	1	360.425	2.454	20	30		FEEDMO
C=CC[N@@H+](Cc1cn2cccnc2n1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000531904869	562460918	/nfs/dbraw/zinc/46/09/18/562460918.db2.gz	JFDSYVRMGZSPDL-HNNXBMFYSA-N	1	1	360.425	2.454	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C#N)cc1F	ZINC000533038951	562496509	/nfs/dbraw/zinc/49/65/09/562496509.db2.gz	WJGAJSLFPBMYKE-HNNXBMFYSA-N	1	1	353.463	2.486	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000533094549	562498087	/nfs/dbraw/zinc/49/80/87/562498087.db2.gz	CBAVLCVZDAQCAW-NSHDSACASA-N	1	1	361.389	2.197	20	30		FEEDMO
C=CC[N@H+](CC(=O)c1cccn1C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000533281088	562503873	/nfs/dbraw/zinc/50/38/73/562503873.db2.gz	JQFSSJNZAZGMED-HNNXBMFYSA-N	1	1	350.426	2.433	20	30		FEEDMO
C=CC[N@@H+](CC(=O)c1cccn1C)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000533281088	562503874	/nfs/dbraw/zinc/50/38/74/562503874.db2.gz	JQFSSJNZAZGMED-HNNXBMFYSA-N	1	1	350.426	2.433	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000534129340	562525944	/nfs/dbraw/zinc/52/59/44/562525944.db2.gz	NHMVWZWRNPAXBN-WMZOPIPTSA-N	1	1	354.454	2.018	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000534129340	562525945	/nfs/dbraw/zinc/52/59/45/562525945.db2.gz	NHMVWZWRNPAXBN-WMZOPIPTSA-N	1	1	354.454	2.018	20	30		FEEDMO
CN(C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[C@@H]1CCC[C@H]1C#N	ZINC000602065178	567923663	/nfs/dbraw/zinc/92/36/63/567923663.db2.gz	CCRCPUHXCNUQLS-BLLLJJGKSA-N	1	1	362.861	2.491	20	30		FEEDMO
CC(C)c1[nH+]ccn1CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000602096003	567933408	/nfs/dbraw/zinc/93/34/08/567933408.db2.gz	GEUXDQROZOXQOY-GOSISDBHSA-N	1	1	351.454	2.243	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNC(=O)N2CCc3c(CC#N)cccc3C2)CCCO1	ZINC000602303605	567965075	/nfs/dbraw/zinc/96/50/75/567965075.db2.gz	WBHMWABLERBZEP-QGZVFWFLSA-N	1	1	370.497	2.321	20	30		FEEDMO
CCN1CCN(c2ccc(C[NH2+][C@@H](C)CC3(C#N)CCOCC3)cn2)CC1	ZINC000602513720	567989498	/nfs/dbraw/zinc/98/94/98/567989498.db2.gz	HBFBCJCZUOMCEF-SFHVURJKSA-N	1	1	371.529	2.412	20	30		FEEDMO
Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1	ZINC000602853890	568001937	/nfs/dbraw/zinc/00/19/37/568001937.db2.gz	MOYFUOUTIYWMIY-OWCLPIDISA-N	1	1	351.878	2.306	20	30		FEEDMO
C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1	ZINC000602854904	568002050	/nfs/dbraw/zinc/00/20/50/568002050.db2.gz	DQIHZHGWWJYLCD-GTWCRQPWSA-N	1	1	373.497	2.386	20	30		FEEDMO
CO[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@](C)(CO)C1	ZINC000602964495	568023903	/nfs/dbraw/zinc/02/39/03/568023903.db2.gz	QMBSTAMZWJYNQH-SJLPKXTDSA-N	1	1	365.861	2.058	20	30		FEEDMO
CO[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@@](C)(CO)C1	ZINC000602964495	568023905	/nfs/dbraw/zinc/02/39/05/568023905.db2.gz	QMBSTAMZWJYNQH-SJLPKXTDSA-N	1	1	365.861	2.058	20	30		FEEDMO
CO[C@H]1C[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@](C)(CO)C1	ZINC000602964071	568023937	/nfs/dbraw/zinc/02/39/37/568023937.db2.gz	MJZBLYYRKWFEPV-UYAOXDASSA-N	1	1	359.470	2.022	20	30		FEEDMO
CO[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@](C)(CO)C1	ZINC000602964071	568023939	/nfs/dbraw/zinc/02/39/39/568023939.db2.gz	MJZBLYYRKWFEPV-UYAOXDASSA-N	1	1	359.470	2.022	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(C[NH+]2CCCC2)nn1	ZINC000603192549	568072223	/nfs/dbraw/zinc/07/22/23/568072223.db2.gz	OAENCQCWDVEKML-KOHRHEQBSA-N	1	1	358.490	2.366	20	30		FEEDMO
CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C3(C#N)CCCC3)cc2)CC1	ZINC000604477331	568299656	/nfs/dbraw/zinc/29/96/56/568299656.db2.gz	CLFMQTVVKPHWEB-UHFFFAOYSA-N	1	1	354.454	2.487	20	30		FEEDMO
COC(=O)[C@@H](CC[NH+]1CCN(c2cnccc2C#N)CC1)c1ccccc1	ZINC000570156861	568456153	/nfs/dbraw/zinc/45/61/53/568456153.db2.gz	VZUCWWPDSHNMDN-IBGZPJMESA-N	1	1	364.449	2.422	20	30		FEEDMO
COC(=O)[C@H](CC[NH+]1CCN(c2cnccc2C#N)CC1)c1ccccc1	ZINC000570156863	568456449	/nfs/dbraw/zinc/45/64/49/568456449.db2.gz	VZUCWWPDSHNMDN-LJQANCHMSA-N	1	1	364.449	2.422	20	30		FEEDMO
C=CC[N@H+](Cc1cccc(C(=O)NC)c1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000735426275	598870413	/nfs/dbraw/zinc/87/04/13/598870413.db2.gz	OCWYWOXXBLHNAJ-UHFFFAOYSA-N	1	1	362.437	2.415	20	30		FEEDMO
CN(CC(C)(C)C#N)C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1	ZINC000556639351	674409730	/nfs/dbraw/zinc/40/97/30/674409730.db2.gz	REGCLEIEPIWION-UHFFFAOYSA-N	1	1	350.850	2.348	20	30		FEEDMO
C#C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C	ZINC000807878686	674433026	/nfs/dbraw/zinc/43/30/26/674433026.db2.gz	YPIJOJHDPAVOTB-OAHLLOKOSA-N	1	1	351.491	2.093	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C[C@H](C)C#N	ZINC000736535955	598760289	/nfs/dbraw/zinc/76/02/89/598760289.db2.gz	ZLLRMAAYZGEUPU-LLVKDONJSA-N	1	1	361.837	2.330	20	30		FEEDMO
C[NH+](C)Cc1cnc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)s1	ZINC000809639961	674502268	/nfs/dbraw/zinc/50/22/68/674502268.db2.gz	RLRUIGUDOOKZKQ-TZMCWYRMSA-N	1	1	365.503	2.053	20	30		FEEDMO
COCC[N@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(C#N)cc1	ZINC000826159057	608567814	/nfs/dbraw/zinc/56/78/14/608567814.db2.gz	OKPRDLHFLSVTRN-UHFFFAOYSA-N	1	1	354.439	2.448	20	30		FEEDMO
COCC[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(C#N)cc1	ZINC000826159057	608567815	/nfs/dbraw/zinc/56/78/15/608567815.db2.gz	OKPRDLHFLSVTRN-UHFFFAOYSA-N	1	1	354.439	2.448	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1	ZINC000559978115	674562538	/nfs/dbraw/zinc/56/25/38/674562538.db2.gz	KKQRFZKNHQQNRZ-LSDHHAIUSA-N	1	1	363.527	2.472	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1	ZINC000559978115	674562541	/nfs/dbraw/zinc/56/25/41/674562541.db2.gz	KKQRFZKNHQQNRZ-LSDHHAIUSA-N	1	1	363.527	2.472	20	30		FEEDMO
Cc1nsc(N2CCN(Cc3ncc(C[NH+](C)C)s3)CC2)c1C#N	ZINC000811515362	674610383	/nfs/dbraw/zinc/61/03/83/674610383.db2.gz	ZDMLBTWMRKWFGZ-UHFFFAOYSA-N	1	1	362.528	2.164	20	30		FEEDMO
C#C[C@@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000811516316	674610686	/nfs/dbraw/zinc/61/06/86/674610686.db2.gz	KOQUARCOVVUENI-HXUWFJFHSA-N	1	1	361.917	2.401	20	30		FEEDMO
COC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCOCCC#N)CC1	ZINC000815019444	674898599	/nfs/dbraw/zinc/89/85/99/674898599.db2.gz	HYZVVDOFRJNIPO-QGZVFWFLSA-N	1	1	365.861	2.102	20	30		FEEDMO
N#Cc1csc(CNc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)n1	ZINC000564410726	675012037	/nfs/dbraw/zinc/01/20/37/675012037.db2.gz	CKYSNFAKGQSUDV-AWEZNQCLSA-N	1	1	355.467	2.324	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nc(C)c(C)s3)C[C@@H]2C1	ZINC001049068661	675022282	/nfs/dbraw/zinc/02/22/82/675022282.db2.gz	YJWUUCVYVMUCJU-TWMKSMIVSA-N	1	1	361.511	2.241	20	30		FEEDMO
Cc1cc(C(O)=CONC(=[NH2+])COC(C)C)c(C)n1-c1nccs1	ZINC000063460288	670407335	/nfs/dbraw/zinc/40/73/35/670407335.db2.gz	JJAADGJWGPREPW-UHFFFAOYSA-N	1	1	350.444	2.447	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1	ZINC000570739124	670761782	/nfs/dbraw/zinc/76/17/82/670761782.db2.gz	QWCYZKBDYGTJES-QAPCUYQASA-N	1	1	360.889	2.391	20	30		FEEDMO
NC(=[NH+]OCc1cc2c(cc1Br)OCCO2)C1CCOCC1	ZINC000112086908	670865794	/nfs/dbraw/zinc/86/57/94/670865794.db2.gz	FZTMMAVHJGJQAX-UHFFFAOYSA-N	1	1	371.231	2.436	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)nn1	ZINC000573478718	671127846	/nfs/dbraw/zinc/12/78/46/671127846.db2.gz	PXDGNSRRPUDMKL-CYBMUJFWSA-N	1	1	357.241	2.300	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)s1	ZINC000575821432	671323597	/nfs/dbraw/zinc/32/35/97/671323597.db2.gz	DBOPEEKEONNXJC-UHFFFAOYSA-N	1	1	371.553	2.260	20	30		FEEDMO
C[C@@H](CNc1nc2c(cc1C#N)COCC2)[N@H+]1CCc2sccc2C1	ZINC000576075019	671342137	/nfs/dbraw/zinc/34/21/37/671342137.db2.gz	WTJUVHTXNDXVSK-ZDUSSCGKSA-N	1	1	354.479	2.946	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH+]1CCC(Oc2cncc(Cl)c2)CC1	ZINC000576540005	671375538	/nfs/dbraw/zinc/37/55/38/671375538.db2.gz	JMDCNVRQVWILRH-UHFFFAOYSA-N	1	1	350.850	2.340	20	30		FEEDMO
CNC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000609040595	675909234	/nfs/dbraw/zinc/90/92/34/675909234.db2.gz	BSENXXPARWQWKY-LBPRGKRZSA-N	1	1	362.499	2.284	20	30		FEEDMO
CNC(=O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000609040595	675909237	/nfs/dbraw/zinc/90/92/37/675909237.db2.gz	BSENXXPARWQWKY-LBPRGKRZSA-N	1	1	362.499	2.284	20	30		FEEDMO
C=CCCCCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C	ZINC000578081434	671639152	/nfs/dbraw/zinc/63/91/52/671639152.db2.gz	VAPUXXUEPYXPFM-ALOPSCKCSA-N	1	1	350.507	2.116	20	30		FEEDMO
CC[C@H]1C[N@H+](C)CCN1C(=O)COc1cccc(Br)c1C#N	ZINC000580815600	671836577	/nfs/dbraw/zinc/83/65/77/671836577.db2.gz	RPGYOCVCGSZCSL-LBPRGKRZSA-N	1	1	366.259	2.252	20	30		FEEDMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)COc1cccc(Br)c1C#N	ZINC000580815600	671836581	/nfs/dbraw/zinc/83/65/81/671836581.db2.gz	RPGYOCVCGSZCSL-LBPRGKRZSA-N	1	1	366.259	2.252	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1	ZINC000610080803	675951847	/nfs/dbraw/zinc/95/18/47/675951847.db2.gz	PHVDSGGJLJNGIQ-MRXNPFEDSA-N	1	1	359.426	2.250	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1	ZINC000610080803	675951850	/nfs/dbraw/zinc/95/18/50/675951850.db2.gz	PHVDSGGJLJNGIQ-MRXNPFEDSA-N	1	1	359.426	2.250	20	30		FEEDMO
N#CCc1ccc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c(Cl)c1	ZINC000582401770	671998750	/nfs/dbraw/zinc/99/87/50/671998750.db2.gz	PVQZGYSHFBOLRG-UHFFFAOYSA-N	1	1	364.858	2.417	20	30		FEEDMO
C[C@@H](O)[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1F	ZINC000583143350	672067495	/nfs/dbraw/zinc/06/74/95/672067495.db2.gz	HQRZVRULBKHROI-ACJLOTCBSA-N	1	1	362.426	2.183	20	30		FEEDMO
COC(=O)[C@H]1CN(c2cc(Br)c(C#N)cc2F)CC[N@@H+](C)C1	ZINC000583153783	672068482	/nfs/dbraw/zinc/06/84/82/672068482.db2.gz	SEUXFMWVJUBQRT-LLVKDONJSA-N	1	1	370.222	2.001	20	30		FEEDMO
[NH2+]=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)NCC1CCC1	ZINC000170914687	672327085	/nfs/dbraw/zinc/32/70/85/672327085.db2.gz	MGIDXWJSFQKAEK-UHFFFAOYSA-N	1	1	363.263	2.439	20	30		FEEDMO
[NH2+]=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)NCC1CCC1	ZINC000170914687	672327086	/nfs/dbraw/zinc/32/70/86/672327086.db2.gz	MGIDXWJSFQKAEK-UHFFFAOYSA-N	1	1	363.263	2.439	20	30		FEEDMO
N#Cc1csc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)n1	ZINC000593066077	672871158	/nfs/dbraw/zinc/87/11/58/672871158.db2.gz	BIQVTUDUISJASM-ROUUACIJSA-N	1	1	354.479	2.490	20	30		FEEDMO
O=C(NCC[NH2+]Cc1ncc(-c2ccccc2)s1)C1N=CC=CC1=O	ZINC000255086849	672883983	/nfs/dbraw/zinc/88/39/83/672883983.db2.gz	LDXAXHOITXKXAT-ISLYRVAYSA-N	1	1	354.435	2.426	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCCC[N@@H+](CC)C1CCCCC1	ZINC000593627450	672962241	/nfs/dbraw/zinc/96/22/41/672962241.db2.gz	UFRGHDDPQRYLPA-INIZCTEOSA-N	1	1	358.552	2.347	20	30		FEEDMO
CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000593657570	672972568	/nfs/dbraw/zinc/97/25/68/672972568.db2.gz	NWSGCNPVPSMYQO-UHFFFAOYSA-N	1	1	350.850	2.244	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl	ZINC000594326948	673058999	/nfs/dbraw/zinc/05/89/99/673058999.db2.gz	SNMWHQXYWKVISU-CVEARBPZSA-N	1	1	360.845	2.283	20	30		FEEDMO
C[C@@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H](C)O1	ZINC000328660174	673064301	/nfs/dbraw/zinc/06/43/01/673064301.db2.gz	UXQRFJMVQAPTTC-QBPKDAKJSA-N	1	1	352.523	2.005	20	30		FEEDMO
C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1C(N)=O	ZINC000328946239	673069907	/nfs/dbraw/zinc/06/99/07/673069907.db2.gz	GLKRFPCIYPVWPV-HUUCEWRRSA-N	1	1	352.479	2.039	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)C1	ZINC000329246378	673074057	/nfs/dbraw/zinc/07/40/57/673074057.db2.gz	RCFDMDPIPHUSLW-BBWFWOEESA-N	1	1	351.491	2.092	20	30		FEEDMO
C=CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccsc3C(=O)OC)C2=O)C1	ZINC000594659571	673109421	/nfs/dbraw/zinc/10/94/21/673109421.db2.gz	FNMDWWSESVGZIQ-TZMCWYRMSA-N	1	1	362.451	2.455	20	30		FEEDMO
C=CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccsc3C(=O)OC)C2=O)C1	ZINC000594659571	673109429	/nfs/dbraw/zinc/10/94/29/673109429.db2.gz	FNMDWWSESVGZIQ-TZMCWYRMSA-N	1	1	362.451	2.455	20	30		FEEDMO
CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](CCCCC#N)C1	ZINC000726602040	673131494	/nfs/dbraw/zinc/13/14/94/673131494.db2.gz	VRVXZDJPPWPAQI-OAHLLOKOSA-N	1	1	352.479	2.033	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N1C[C@H]2C[N@H+](C)C[C@H]2C1	ZINC000594769802	673136304	/nfs/dbraw/zinc/13/63/04/673136304.db2.gz	KYBIHHYZQFKNDW-OKILXGFUSA-N	1	1	361.492	2.264	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000595194494	673207690	/nfs/dbraw/zinc/20/76/90/673207690.db2.gz	NWFWMEBBCAOUOL-CQSZACIVSA-N	1	1	360.483	2.231	20	30		FEEDMO
CCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000595355931	673231833	/nfs/dbraw/zinc/23/18/33/673231833.db2.gz	STDFXMUHQXPXOA-LBPRGKRZSA-N	1	1	372.288	2.083	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C[N@H+]1C1CC1	ZINC000595553436	673265476	/nfs/dbraw/zinc/26/54/76/673265476.db2.gz	HEPKZILDXADQEB-UONOGXRCSA-N	1	1	359.499	2.077	20	30		FEEDMO
C=C[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2	ZINC000595864029	673331702	/nfs/dbraw/zinc/33/17/02/673331702.db2.gz	MZQAMGXFAQMNFV-NWDGAFQWSA-N	1	1	366.483	2.267	20	30		FEEDMO
C=C[C@H](CO)[NH2+]CC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2	ZINC000595863965	673331876	/nfs/dbraw/zinc/33/18/76/673331876.db2.gz	LWXUYECCRVZPEP-VXGBXAGGSA-N	1	1	366.483	2.125	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1	ZINC000731835310	673344468	/nfs/dbraw/zinc/34/44/68/673344468.db2.gz	YLHPIUXXSDINLB-HNNXBMFYSA-N	1	1	358.829	2.146	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1	ZINC000731835310	673344471	/nfs/dbraw/zinc/34/44/71/673344471.db2.gz	YLHPIUXXSDINLB-HNNXBMFYSA-N	1	1	358.829	2.146	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1nc(C#N)c(Cl)s1	ZINC000596130344	673361982	/nfs/dbraw/zinc/36/19/82/673361982.db2.gz	CKDIJQFSXQRLCS-GFCCVEGCSA-N	1	1	362.890	2.686	20	30		FEEDMO
COCCC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000596980336	673432500	/nfs/dbraw/zinc/43/25/00/673432500.db2.gz	MUEMABDRBGUDMQ-SFHVURJKSA-N	1	1	362.495	2.267	20	30		FEEDMO
COCCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000596980336	673432505	/nfs/dbraw/zinc/43/25/05/673432505.db2.gz	MUEMABDRBGUDMQ-SFHVURJKSA-N	1	1	362.495	2.267	20	30		FEEDMO
CCOCCC[N@H+]1CCC(=NNS(=O)(=O)Cc2ccccc2)[C@@H](C)C1	ZINC000735229826	673486890	/nfs/dbraw/zinc/48/68/90/673486890.db2.gz	SKHISWIQAUAETO-INIZCTEOSA-N	1	1	367.515	2.230	20	30		FEEDMO
C=C(Cl)CNC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000736399277	673524271	/nfs/dbraw/zinc/52/42/71/673524271.db2.gz	YFDUFAQVOKPIGD-QGZVFWFLSA-N	1	1	350.894	2.417	20	30		FEEDMO
C=C(Cl)CNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000736399277	673524274	/nfs/dbraw/zinc/52/42/74/673524274.db2.gz	YFDUFAQVOKPIGD-QGZVFWFLSA-N	1	1	350.894	2.417	20	30		FEEDMO
C=C(Cl)CNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000736399277	673524277	/nfs/dbraw/zinc/52/42/77/673524277.db2.gz	YFDUFAQVOKPIGD-QGZVFWFLSA-N	1	1	350.894	2.417	20	30		FEEDMO
C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(C#N)s2)C1	ZINC000598503417	673576814	/nfs/dbraw/zinc/57/68/14/673576814.db2.gz	BRDAMCKJXKUIKA-MRXNPFEDSA-N	1	1	354.479	2.166	20	30		FEEDMO
C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2ccc(C#N)s2)C1	ZINC000598503417	673576817	/nfs/dbraw/zinc/57/68/17/673576817.db2.gz	BRDAMCKJXKUIKA-MRXNPFEDSA-N	1	1	354.479	2.166	20	30		FEEDMO
C[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C(N)=O)c1cccc(Br)c1	ZINC000598601962	673588181	/nfs/dbraw/zinc/58/81/81/673588181.db2.gz	YBYPDOLWDULAQF-KBPBESRZSA-N	1	1	368.275	2.208	20	30		FEEDMO
C[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C(N)=O)c1cccc(Br)c1	ZINC000598601962	673588182	/nfs/dbraw/zinc/58/81/82/673588182.db2.gz	YBYPDOLWDULAQF-KBPBESRZSA-N	1	1	368.275	2.208	20	30		FEEDMO
C[NH+]1CCN(CC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1	ZINC000740127597	673642375	/nfs/dbraw/zinc/64/23/75/673642375.db2.gz	CXBXXBBBUNZKEZ-UHFFFAOYSA-N	1	1	354.479	2.150	20	30		FEEDMO
CCc1ccc([C@H](CO)[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1	ZINC000543806424	673671862	/nfs/dbraw/zinc/67/18/62/673671862.db2.gz	CHFOGAZBGJFBLK-IBGZPJMESA-N	1	1	358.463	2.218	20	30		FEEDMO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1	ZINC000545156252	673747342	/nfs/dbraw/zinc/74/73/42/673747342.db2.gz	QGDVTCJLAKSSKW-INIZCTEOSA-N	1	1	358.360	2.067	20	30		FEEDMO
COc1ccc(C[N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)cc1C#N	ZINC000602880207	673912460	/nfs/dbraw/zinc/91/24/60/673912460.db2.gz	FORJCNUXVMDPTK-GOSISDBHSA-N	1	1	361.511	2.207	20	30		FEEDMO
C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(C#N)c(Br)cn1	ZINC000603373373	673927159	/nfs/dbraw/zinc/92/71/59/673927159.db2.gz	CQUYLGVDCJCLHG-DGCLKSJQSA-N	1	1	351.248	2.015	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H](C)Oc1ccc(F)cc1Br	ZINC000818584566	675226213	/nfs/dbraw/zinc/22/62/13/675226213.db2.gz	OZRZXUXZNWNMKU-LBPRGKRZSA-N	1	1	371.250	2.427	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@]1(CC)CCCN1C(=O)OC(C)(C)C	ZINC000818592848	675226405	/nfs/dbraw/zinc/22/64/05/675226405.db2.gz	BHFXYGBBTIASDZ-LJQANCHMSA-N	1	1	351.491	2.237	20	30		FEEDMO
C[C@](CO)([NH2+]CC(=O)NC1(C#N)CCC1)c1cccc(C(F)(F)F)c1	ZINC000615224853	676207974	/nfs/dbraw/zinc/20/79/74/676207974.db2.gz	VIXXBZFKNHRAMK-OAHLLOKOSA-N	1	1	355.360	2.065	20	30		FEEDMO
COc1c(C)cnc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1C	ZINC000818987936	675250188	/nfs/dbraw/zinc/25/01/88/675250188.db2.gz	IYUIMIVYXJAWDP-UHFFFAOYSA-N	1	1	359.451	2.142	20	30		FEEDMO
CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000566943510	675254563	/nfs/dbraw/zinc/25/45/63/675254563.db2.gz	VCSVLBAONBOHHZ-AWEZNQCLSA-N	1	1	350.488	2.132	20	30		FEEDMO
C#CCO[C@H](C)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000822773353	675505863	/nfs/dbraw/zinc/50/58/63/675505863.db2.gz	UFKYSPVPIMAMCN-MRXNPFEDSA-N	1	1	363.889	2.007	20	30		FEEDMO
COCC[N@@H+]1[C@H](C)CN(C(=O)NCc2ccc(C#N)c(Cl)c2)C[C@@H]1C	ZINC000827050779	675725685	/nfs/dbraw/zinc/72/56/85/675725685.db2.gz	ZTCXFTUQHKGJLI-OKILXGFUSA-N	1	1	364.877	2.462	20	30		FEEDMO
Cc1c(Cl)cnc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c1C#N	ZINC000603424451	675799025	/nfs/dbraw/zinc/79/90/25/675799025.db2.gz	WKRAHMFWBPOCJJ-OAHLLOKOSA-N	1	1	363.893	2.124	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)[NH+]1CCOCC1	ZINC000619754436	676393558	/nfs/dbraw/zinc/39/35/58/676393558.db2.gz	XKRXXPQXOSZARH-QGZVFWFLSA-N	1	1	364.877	2.368	20	30		FEEDMO
N#Cc1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl	ZINC000619828579	676396543	/nfs/dbraw/zinc/39/65/43/676396543.db2.gz	VLTNEXHSHJRIGV-INIZCTEOSA-N	1	1	362.861	2.218	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)cc1OC	ZINC000628495288	676805089	/nfs/dbraw/zinc/80/50/89/676805089.db2.gz	NAVFEAVGDHCGNV-MRXNPFEDSA-N	1	1	368.499	2.021	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCNc1cccc(Br)c1	ZINC000838623527	680706743	/nfs/dbraw/zinc/70/67/43/680706743.db2.gz	GYYPNWKEYNCTPK-UHFFFAOYSA-N	1	1	367.291	2.115	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=S)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000761187928	680714235	/nfs/dbraw/zinc/71/42/35/680714235.db2.gz	OULSBOUVWAOBDI-ZWKOTPCHSA-N	1	1	358.511	2.290	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)C1=O	ZINC000839090413	680737254	/nfs/dbraw/zinc/73/72/54/680737254.db2.gz	JZJZMJWNXJOHCU-OAGGEKHMSA-N	1	1	351.491	2.256	20	30		FEEDMO
C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cc(-n2cnnn2)ccc1Cl	ZINC000662087668	678575622	/nfs/dbraw/zinc/57/56/22/678575622.db2.gz	HMTDPHIVEQHZLF-BETUJISGSA-N	1	1	358.833	2.437	20	30		FEEDMO
C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cc(-n2cnnn2)ccc1Cl	ZINC000662087668	678575624	/nfs/dbraw/zinc/57/56/24/678575624.db2.gz	HMTDPHIVEQHZLF-BETUJISGSA-N	1	1	358.833	2.437	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCC(F)(F)C1	ZINC000669334260	679229838	/nfs/dbraw/zinc/22/98/38/679229838.db2.gz	AXFKUEWHLQAKQL-KGLIPLIRSA-N	1	1	353.417	2.235	20	30		FEEDMO
Fc1ccc(/C=C\C=NNC(=S)NCCC[NH+]2CCOCC2)cc1	ZINC000747745781	679900928	/nfs/dbraw/zinc/90/09/28/679900928.db2.gz	ANWFLPUFRMAZPR-JGUKSJKXSA-N	1	1	350.463	2.011	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1	ZINC001008848175	679968690	/nfs/dbraw/zinc/96/86/90/679968690.db2.gz	XCLWEAIMMUWFEN-ULQDDVLXSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001008848175	679968693	/nfs/dbraw/zinc/96/86/93/679968693.db2.gz	XCLWEAIMMUWFEN-ULQDDVLXSA-N	1	1	366.893	2.098	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1	ZINC000831819155	680048167	/nfs/dbraw/zinc/04/81/67/680048167.db2.gz	YACZNFHICYRADH-UHFFFAOYSA-N	1	1	352.479	2.128	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1	ZINC000831819155	680048172	/nfs/dbraw/zinc/04/81/72/680048172.db2.gz	YACZNFHICYRADH-UHFFFAOYSA-N	1	1	352.479	2.128	20	30		FEEDMO
C=C(Br)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[C@@H](C)O2)CC1	ZINC001016838267	680065145	/nfs/dbraw/zinc/06/51/45/680065145.db2.gz	KZLRHYHJIVAJDW-MCIONIFRSA-N	1	1	357.292	2.433	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(=C)Br)CC2	ZINC001016831579	680065200	/nfs/dbraw/zinc/06/52/00/680065200.db2.gz	AGYJWGKVQGXRBE-ILXRZTDVSA-N	1	1	369.303	2.457	20	30		FEEDMO
C=CCN1C(=S)N=NC1c1sc(NC(=O)[C@H](C)[NH+](C)C)nc1C	ZINC000750016108	680096084	/nfs/dbraw/zinc/09/60/84/680096084.db2.gz	JEYJRTVNZMHFLR-VIFPVBQESA-N	1	1	352.489	2.073	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ncc(C)s3)C[C@H]21	ZINC000978842956	680181640	/nfs/dbraw/zinc/18/16/40/680181640.db2.gz	RZWWYUPUWMDOLR-FDPKGLCPSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ncc(C)s3)C[C@H]21	ZINC000978842956	680181643	/nfs/dbraw/zinc/18/16/43/680181643.db2.gz	RZWWYUPUWMDOLR-FDPKGLCPSA-N	1	1	361.511	2.227	20	30		FEEDMO
C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCO[C@H]3C(=C)C)[C@@H]2C1	ZINC000978854120	680181827	/nfs/dbraw/zinc/18/18/27/680181827.db2.gz	KBWCHRVKBRUCKS-GVRJEKJASA-N	1	1	369.303	2.170	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](CC[C@@H]2CCCCO2)CC1	ZINC000981185735	680218882	/nfs/dbraw/zinc/21/88/82/680218882.db2.gz	DEENCSOTJXISRD-OTWHNJEPSA-N	1	1	350.503	2.461	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CCCN(Cc3ccc(C#N)s3)CC2)CC[N@H+]1C	ZINC000981197963	680220595	/nfs/dbraw/zinc/22/05/95/680220595.db2.gz	SWRASLACXIIQEQ-ZWKOTPCHSA-N	1	1	360.527	2.384	20	30		FEEDMO
C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@@]2(C)C1	ZINC000982571452	680280995	/nfs/dbraw/zinc/28/09/95/680280995.db2.gz	NEVFNONBDAJOBE-RGCFKVTRSA-N	1	1	362.905	2.447	20	30		FEEDMO
C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@@]2(C)C1	ZINC000982571452	680280996	/nfs/dbraw/zinc/28/09/96/680280996.db2.gz	NEVFNONBDAJOBE-RGCFKVTRSA-N	1	1	362.905	2.447	20	30		FEEDMO
O=[N+]([O-])c1ccc(OC(F)F)c(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1	ZINC000753927503	680324818	/nfs/dbraw/zinc/32/48/18/680324818.db2.gz	CRPPEEDBGTWBFF-TXEJJXNPSA-N	1	1	353.329	2.390	20	30		FEEDMO
O=C1Nc2c(cccc2C(F)(F)F)C1=NNC1=[NH+][C@H]2CCCC[C@@H]2N1	ZINC000753937195	680325232	/nfs/dbraw/zinc/32/52/32/680325232.db2.gz	WSWTUORHKKIODK-QWRGUYRKSA-N	1	1	351.332	2.222	20	30		FEEDMO
CCS(=O)(=O)Nc1ccc(C(C)=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc1	ZINC000753941651	680325826	/nfs/dbraw/zinc/32/58/26/680325826.db2.gz	ZVKBOSHPSYZAEM-IYBDPMFKSA-N	1	1	363.487	2.032	20	30		FEEDMO
C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1	ZINC000996684437	680338945	/nfs/dbraw/zinc/33/89/45/680338945.db2.gz	MZGYYESABYFPOM-CHWSQXEVSA-N	1	1	353.264	2.002	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC000998065434	680373964	/nfs/dbraw/zinc/37/39/64/680373964.db2.gz	GPJGXUAYJXDCFW-XLAORIBOSA-N	1	1	370.921	2.493	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCn2cc(Cl)cn2)C1	ZINC001033498438	680424482	/nfs/dbraw/zinc/42/44/82/680424482.db2.gz	YCGKZCZQYCINDT-IKGGRYGDSA-N	1	1	366.893	2.050	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001033498438	680424485	/nfs/dbraw/zinc/42/44/85/680424485.db2.gz	YCGKZCZQYCINDT-IKGGRYGDSA-N	1	1	366.893	2.050	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1cc(Br)ccc1F	ZINC000836215320	680436411	/nfs/dbraw/zinc/43/64/11/680436411.db2.gz	ASNXTHGQCWENBF-UHFFFAOYSA-N	1	1	356.239	2.343	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC1=CC[N@@H+](CCc2ccns2)CC1	ZINC001001257175	680455956	/nfs/dbraw/zinc/45/59/56/680455956.db2.gz	SACDSDDNRQZNIA-ROUUACIJSA-N	1	1	361.511	2.415	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)COC	ZINC001039941298	680468090	/nfs/dbraw/zinc/46/80/90/680468090.db2.gz	KWHCWQVQZQUCRQ-GFEQUFNTSA-N	1	1	350.503	2.458	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1COC(=O)CSCC(=O)N(C)C1CCCCC1	ZINC000756542325	680483863	/nfs/dbraw/zinc/48/38/63/680483863.db2.gz	HMCRHWXUXNYPSL-KRWDZBQOSA-N	1	1	366.527	2.152	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)CSCC(=O)N(C)C1CCCCC1	ZINC000756542325	680483867	/nfs/dbraw/zinc/48/38/67/680483867.db2.gz	HMCRHWXUXNYPSL-KRWDZBQOSA-N	1	1	366.527	2.152	20	30		FEEDMO
C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)s3)C2)C1	ZINC001041689580	680508296	/nfs/dbraw/zinc/50/82/96/680508296.db2.gz	FKPYIOWEEZYCSX-LJHODMEESA-N	1	1	359.495	2.469	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1Nc1nc(Cl)c(C#N)s1	ZINC001043252449	680569673	/nfs/dbraw/zinc/56/96/73/680569673.db2.gz	RWLSYHFSZPWASB-IJLUTSLNSA-N	1	1	367.906	2.269	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCCC2CCC2)C[C@@H]1O	ZINC001047385422	680661998	/nfs/dbraw/zinc/66/19/98/680661998.db2.gz	LPYXDTIJYYKPGV-XWSJACJDSA-N	1	1	350.503	2.051	20	30		FEEDMO
C[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21	ZINC001050144888	681042612	/nfs/dbraw/zinc/04/26/12/681042612.db2.gz	RHMILRDCXGNOJU-NONVJHHQSA-N	1	1	359.495	2.468	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CCCC1CCC1	ZINC001051155490	681064436	/nfs/dbraw/zinc/06/44/36/681064436.db2.gz	NXPIZJOCAQILEO-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1CCCC1CCC1	ZINC001051155490	681064437	/nfs/dbraw/zinc/06/44/37/681064437.db2.gz	NXPIZJOCAQILEO-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1	ZINC001052043308	681070806	/nfs/dbraw/zinc/07/08/06/681070806.db2.gz	URVFKSYYWFIKMB-CEXWTWQISA-N	1	1	357.523	2.093	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNc1ncc(C#N)cc1Cl	ZINC001053666069	681103299	/nfs/dbraw/zinc/10/32/99/681103299.db2.gz	AJYIXCQYUZNGHB-XPKDYRNWSA-N	1	1	361.877	2.207	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CCC2(C[NH+](CCCF)C2)O1	ZINC001053676812	681103743	/nfs/dbraw/zinc/10/37/43/681103743.db2.gz	KDOOYGCYHWWVPA-ULQDDVLXSA-N	1	1	354.466	2.067	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2	ZINC001054170564	681106351	/nfs/dbraw/zinc/10/63/51/681106351.db2.gz	GODNNMXNIFMDBE-BMFAXAFESA-N	1	1	368.905	2.105	20	30		FEEDMO
CC[C@H](CSC)[N@H+](C)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000773253592	681133207	/nfs/dbraw/zinc/13/32/07/681133207.db2.gz	CXKGOTMKPLGJNF-QAPCUYQASA-N	1	1	360.483	2.356	20	30		FEEDMO
CC[C@H](CSC)[N@@H+](C)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000773253592	681133210	/nfs/dbraw/zinc/13/32/10/681133210.db2.gz	CXKGOTMKPLGJNF-QAPCUYQASA-N	1	1	360.483	2.356	20	30		FEEDMO
C#C[C@@H]1CCC[N@@H+](Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)C1	ZINC000847032867	681323038	/nfs/dbraw/zinc/32/30/38/681323038.db2.gz	VOYPGVNRPJCSLW-LLVKDONJSA-N	1	1	353.348	2.387	20	30		FEEDMO
C#C[C@@H]1CCC[N@H+](Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)C1	ZINC000847032867	681323042	/nfs/dbraw/zinc/32/30/42/681323042.db2.gz	VOYPGVNRPJCSLW-LLVKDONJSA-N	1	1	353.348	2.387	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@H](CC#N)C(F)(F)F)C[C@H](C)O1	ZINC000932926948	681329678	/nfs/dbraw/zinc/32/96/78/681329678.db2.gz	QJBRESWSAUPCHY-GRYCIOLGSA-N	1	1	350.385	2.018	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@H](CC#N)C(F)(F)F)C[C@H](C)O1	ZINC000932926948	681329682	/nfs/dbraw/zinc/32/96/82/681329682.db2.gz	QJBRESWSAUPCHY-GRYCIOLGSA-N	1	1	350.385	2.018	20	30		FEEDMO
N#CC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932944813	681333047	/nfs/dbraw/zinc/33/30/47/681333047.db2.gz	MYHJWCLOUSIVCA-PRJMDXOYSA-N	1	1	352.225	2.364	20	30		FEEDMO
N#CC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932944813	681333049	/nfs/dbraw/zinc/33/30/49/681333049.db2.gz	MYHJWCLOUSIVCA-PRJMDXOYSA-N	1	1	352.225	2.364	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)C2(C#N)CCSCC2)[C@H](C)C1	ZINC000932945632	681333121	/nfs/dbraw/zinc/33/31/21/681333121.db2.gz	DMPNNPCNJYSBKF-CVEARBPZSA-N	1	1	353.532	2.277	20	30		FEEDMO
C#C[C@@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)[C@H]1CCCO1	ZINC000775793744	681335814	/nfs/dbraw/zinc/33/58/14/681335814.db2.gz	NMWFBKALMZWXMX-NVXWUHKLSA-N	1	1	356.447	2.119	20	30		FEEDMO
C=CC1(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000933492778	681420701	/nfs/dbraw/zinc/42/07/01/681420701.db2.gz	VLOIVMJWJNQXTB-HUUCEWRRSA-N	1	1	351.491	2.399	20	30		FEEDMO
COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)Cc1cc(C#N)cs1	ZINC000933774345	681467001	/nfs/dbraw/zinc/46/70/01/681467001.db2.gz	OIVYYAKHWHEMHQ-CHHVJCJISA-N	1	1	365.480	2.031	20	30		FEEDMO
S=C(NCc1ccc2c(c1)OCO2)NN=C1CCC[N@@H+]2CCCC[C@@H]12	ZINC000848400684	681536108	/nfs/dbraw/zinc/53/61/08/681536108.db2.gz	KTXKJJRFDZEWDJ-HNNXBMFYSA-N	1	1	360.483	2.384	20	30		FEEDMO
S=C(NCc1ccc2c(c1)OCO2)NN=C1CCC[N@H+]2CCCC[C@@H]12	ZINC000848400684	681536114	/nfs/dbraw/zinc/53/61/14/681536114.db2.gz	KTXKJJRFDZEWDJ-HNNXBMFYSA-N	1	1	360.483	2.384	20	30		FEEDMO
COCC[N@H+](CCC(=O)OC)Cc1ccc(C#N)cc1Br	ZINC000778215245	681586010	/nfs/dbraw/zinc/58/60/10/681586010.db2.gz	OCEWBAWFPGZLTJ-UHFFFAOYSA-N	1	1	355.232	2.332	20	30		FEEDMO
COCC[N@@H+](CCC(=O)OC)Cc1ccc(C#N)cc1Br	ZINC000778215245	681586014	/nfs/dbraw/zinc/58/60/14/681586014.db2.gz	OCEWBAWFPGZLTJ-UHFFFAOYSA-N	1	1	355.232	2.332	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](C[C@H](C)CC)CCO2	ZINC000949477028	681643028	/nfs/dbraw/zinc/64/30/28/681643028.db2.gz	OQEVAIOXZBQNRA-KURKYZTESA-N	1	1	350.503	2.317	20	30		FEEDMO
Cc1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)ccc1Cl	ZINC000779758270	681750907	/nfs/dbraw/zinc/75/09/07/681750907.db2.gz	ACBCBXWPXCNAHT-UHFFFAOYSA-N	1	1	354.907	2.169	20	30		FEEDMO
CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)Cc1csc(C#N)c1	ZINC000914200801	685498539	/nfs/dbraw/zinc/49/85/39/685498539.db2.gz	QATHNLYEQYGGSW-CABCVRRESA-N	1	1	353.513	2.398	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)Cc1csc(C#N)c1	ZINC000914200801	685498540	/nfs/dbraw/zinc/49/85/40/685498540.db2.gz	QATHNLYEQYGGSW-CABCVRRESA-N	1	1	353.513	2.398	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21	ZINC000914267253	685501628	/nfs/dbraw/zinc/50/16/28/685501628.db2.gz	HCDMMBQCSPRMCR-PKOBYXMFSA-N	1	1	361.511	2.421	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2snnc2C)CC1(C)C	ZINC000941040246	682096660	/nfs/dbraw/zinc/09/66/60/682096660.db2.gz	YMLGTWOQUGFZQW-IJEWVQPXSA-N	1	1	364.515	2.154	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2snnc2C)CC1(C)C	ZINC000941040246	682096668	/nfs/dbraw/zinc/09/66/68/682096668.db2.gz	YMLGTWOQUGFZQW-IJEWVQPXSA-N	1	1	364.515	2.154	20	30		FEEDMO
C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)C1	ZINC000941603592	682138111	/nfs/dbraw/zinc/13/81/11/682138111.db2.gz	KHHPUVYIQALDFF-RBUKOAKNSA-N	1	1	359.901	2.458	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1	ZINC000917654586	685533514	/nfs/dbraw/zinc/53/35/14/685533514.db2.gz	HNSPHENXPDYPET-QWHCGFSZSA-N	1	1	373.400	2.482	20	30		FEEDMO
C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C[C@]2(C)C1	ZINC000918352834	685538627	/nfs/dbraw/zinc/53/86/27/685538627.db2.gz	WRKLGJWXVSPKEI-IYBDPMFKSA-N	1	1	353.875	2.174	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(NC(=O)OC)CC1	ZINC000852768289	682340509	/nfs/dbraw/zinc/34/05/09/682340509.db2.gz	PYMXGIXLFQBGPE-AWEZNQCLSA-N	1	1	365.499	2.472	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)Cc2cc(OC)ns2)C1	ZINC000971556941	682359221	/nfs/dbraw/zinc/35/92/21/682359221.db2.gz	VZMKVTVCADCUQA-IMJJTQAJSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)Cc2cc(OC)ns2)C1	ZINC000971556941	682359227	/nfs/dbraw/zinc/35/92/27/682359227.db2.gz	VZMKVTVCADCUQA-IMJJTQAJSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCn2cc(Cl)cn2)C1	ZINC000972520532	682419099	/nfs/dbraw/zinc/41/90/99/682419099.db2.gz	CIVIQTJMHBJHPO-IKGGRYGDSA-N	1	1	366.893	2.050	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCC(C)C)CCO2	ZINC000972597990	682425886	/nfs/dbraw/zinc/42/58/86/682425886.db2.gz	YEEVNTWFCPWEPR-BJLQDIEVSA-N	1	1	350.503	2.317	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000788677191	682549775	/nfs/dbraw/zinc/54/97/75/682549775.db2.gz	QUMCBUSATRRISQ-LLVKDONJSA-N	1	1	372.288	2.083	20	30		FEEDMO
C[C@H]1CCSCC[N@@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000790480470	682681303	/nfs/dbraw/zinc/68/13/03/682681303.db2.gz	LNGJJWGMJCWQEB-UGSOOPFHSA-N	1	1	358.467	2.110	20	30		FEEDMO
C[C@H]1CCSCC[N@H+]1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O	ZINC000790480470	682681305	/nfs/dbraw/zinc/68/13/05/682681305.db2.gz	LNGJJWGMJCWQEB-UGSOOPFHSA-N	1	1	358.467	2.110	20	30		FEEDMO
C=CC[C@]1(C(=O)N2CC[N@H+](C)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000790677718	682694681	/nfs/dbraw/zinc/69/46/81/682694681.db2.gz	LEBTWSKNTFEDID-DNVCBOLYSA-N	1	1	351.491	2.495	20	30		FEEDMO
C=CC[C@]1(C(=O)N2CC[N@@H+](C)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000790677718	682694684	/nfs/dbraw/zinc/69/46/84/682694684.db2.gz	LEBTWSKNTFEDID-DNVCBOLYSA-N	1	1	351.491	2.495	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCOc2cc(Br)ccc2C1	ZINC000856307796	682763099	/nfs/dbraw/zinc/76/30/99/682763099.db2.gz	UMQHVTNIJCWHDD-HNNXBMFYSA-N	1	1	363.255	2.268	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCOc2cc(Br)ccc2C1	ZINC000856307796	682763101	/nfs/dbraw/zinc/76/31/01/682763101.db2.gz	UMQHVTNIJCWHDD-HNNXBMFYSA-N	1	1	363.255	2.268	20	30		FEEDMO
C=C(C)CS(=O)(=O)N1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1	ZINC000856549795	682792607	/nfs/dbraw/zinc/79/26/07/682792607.db2.gz	UZLRTVSFGHTWDV-GOSISDBHSA-N	1	1	367.515	2.281	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc(Br)c(OC)c2)CC1	ZINC000859003347	683024712	/nfs/dbraw/zinc/02/47/12/683024712.db2.gz	KPQKUUFWMLOODW-UHFFFAOYSA-N	1	1	351.244	2.239	20	30		FEEDMO
N#CCSCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)(F)F	ZINC000860050518	683195080	/nfs/dbraw/zinc/19/50/80/683195080.db2.gz	XADHWWDKYZPUBD-FQUUOJAGSA-N	1	1	361.433	2.364	20	30		FEEDMO
N#CCSCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000928121058	683398259	/nfs/dbraw/zinc/39/82/59/683398259.db2.gz	CTZUMONLBPHVKG-ZIAGYGMSSA-N	1	1	357.401	2.422	20	30		FEEDMO
N#CCSCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000928121058	683398266	/nfs/dbraw/zinc/39/82/66/683398266.db2.gz	CTZUMONLBPHVKG-ZIAGYGMSSA-N	1	1	357.401	2.422	20	30		FEEDMO
Fc1ccc(Br)c(F)c1C=NNCCC[NH+]1CCOCC1	ZINC000799887666	683505732	/nfs/dbraw/zinc/50/57/32/683505732.db2.gz	GXOQESDMAPUGGK-UHFFFAOYSA-N	1	1	362.218	2.373	20	30		FEEDMO
C#CCCCS(=O)(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1	ZINC000921633743	683527132	/nfs/dbraw/zinc/52/71/32/683527132.db2.gz	SBPAPZVPURBZGH-UHFFFAOYSA-N	1	1	364.511	2.000	20	30		FEEDMO
C=CC[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000862543782	683599920	/nfs/dbraw/zinc/59/99/20/683599920.db2.gz	LBPPNQKHRZOBET-MRXNPFEDSA-N	1	1	351.491	2.354	20	30		FEEDMO
C[C@@H]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2Br)CS1(=O)=O	ZINC000922246227	683687198	/nfs/dbraw/zinc/68/71/98/683687198.db2.gz	KAKZCTWOVROCLY-MFKMUULPSA-N	1	1	357.273	2.376	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1	ZINC000930189296	683690586	/nfs/dbraw/zinc/69/05/86/683690586.db2.gz	JBUCATNBUSBTCH-MRXNPFEDSA-N	1	1	362.495	2.088	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@@H+]2CCn3c(Br)cnc3C2)cc1	ZINC000930258763	683700444	/nfs/dbraw/zinc/70/04/44/683700444.db2.gz	BEHUHXAHBCQCEZ-UHFFFAOYSA-N	1	1	373.254	2.471	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@H+]2CCn3c(Br)cnc3C2)cc1	ZINC000930258763	683700449	/nfs/dbraw/zinc/70/04/49/683700449.db2.gz	BEHUHXAHBCQCEZ-UHFFFAOYSA-N	1	1	373.254	2.471	20	30		FEEDMO
N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12	ZINC000930385492	683723058	/nfs/dbraw/zinc/72/30/58/683723058.db2.gz	CJKGSTMNKGUIPI-UKRRQHHQSA-N	1	1	364.446	2.429	20	30		FEEDMO
C#CC1(O)CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1	ZINC000931141531	683840658	/nfs/dbraw/zinc/84/06/58/683840658.db2.gz	AEUKFVUZGZGZEG-ZDUSSCGKSA-N	1	1	365.271	2.086	20	30		FEEDMO
[NH3+]CCOCCN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000923532089	684299935	/nfs/dbraw/zinc/29/99/35/684299935.db2.gz	ZJVARFRIWRWPKX-OCAPTIKFSA-N	1	1	356.257	2.065	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2Cl)C1	ZINC000923559727	684305604	/nfs/dbraw/zinc/30/56/04/684305604.db2.gz	JVOAYISJKSKNGC-MRXNPFEDSA-N	1	1	356.857	2.412	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2Cl)C1	ZINC000923559727	684305610	/nfs/dbraw/zinc/30/56/10/684305610.db2.gz	JVOAYISJKSKNGC-MRXNPFEDSA-N	1	1	356.857	2.412	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(C(C)C)c2Br)C1	ZINC000923599248	684311822	/nfs/dbraw/zinc/31/18/22/684311822.db2.gz	SLZZULSWSYQKNF-GFCCVEGCSA-N	1	1	353.264	2.054	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(C(C)C)c2Br)C1	ZINC000923599248	684311829	/nfs/dbraw/zinc/31/18/29/684311829.db2.gz	SLZZULSWSYQKNF-GFCCVEGCSA-N	1	1	353.264	2.054	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CC[C@@H](C2OCCO2)C1)c1cccc(Cl)c1	ZINC000932008447	684388805	/nfs/dbraw/zinc/38/88/05/684388805.db2.gz	RSWREOFIXRQFLB-CQSZACIVSA-N	1	1	363.845	2.281	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC[C@@H]21	ZINC000867812929	684397356	/nfs/dbraw/zinc/39/73/56/684397356.db2.gz	OEIAVHAOZLFXNT-DOMZBBRYSA-N	1	1	373.400	2.292	20	30		FEEDMO
C=CCC1(C(=O)N2CCC(C[N@H+](CCO)C(C)C)CC2)CCOCC1	ZINC000910875077	685133414	/nfs/dbraw/zinc/13/34/14/685133414.db2.gz	HPILFMBXOUDXAG-UHFFFAOYSA-N	1	1	352.519	2.301	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1	ZINC000876782417	686268432	/nfs/dbraw/zinc/26/84/32/686268432.db2.gz	QEBXQPPGYVCBSV-CZUORRHYSA-N	1	1	368.884	2.225	20	30		FEEDMO
N#Cc1cnc(Cl)c(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000877059101	686319772	/nfs/dbraw/zinc/31/97/72/686319772.db2.gz	QOWASNVVNXOEQQ-LJQANCHMSA-N	1	1	356.857	2.333	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCN(CC)CC2)c(F)c1	ZINC000877265758	686346223	/nfs/dbraw/zinc/34/62/23/686346223.db2.gz	IVGOODGVSAQGES-HNNXBMFYSA-N	1	1	354.857	2.376	20	30		FEEDMO
N#Cc1cnc(Cl)c(C[NH2+]Cc2ccc(CN3CCNC3=O)cc2)c1	ZINC000877735446	686447091	/nfs/dbraw/zinc/44/70/91/686447091.db2.gz	UKUNPFSMYYKMQW-UHFFFAOYSA-N	1	1	355.829	2.422	20	30		FEEDMO
C#CCOCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000880025994	686977955	/nfs/dbraw/zinc/97/79/55/686977955.db2.gz	CUKKOAFOQKRKAF-STQMWFEESA-N	1	1	350.381	2.271	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1	ZINC000880050403	686986662	/nfs/dbraw/zinc/98/66/62/686986662.db2.gz	BYTCEURTIANHDH-XPKDYRNWSA-N	1	1	358.360	2.340	20	30		FEEDMO
C[C@H]1C[N@H+](CCOCCC#N)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1	ZINC000880219438	687018032	/nfs/dbraw/zinc/01/80/32/687018032.db2.gz	NNYURPJSZUQQPL-YJBOKZPZSA-N	1	1	353.463	2.017	20	30		FEEDMO
C[C@H]1C[N@@H+](CCOCCC#N)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1	ZINC000880219438	687018037	/nfs/dbraw/zinc/01/80/37/687018037.db2.gz	NNYURPJSZUQQPL-YJBOKZPZSA-N	1	1	353.463	2.017	20	30		FEEDMO
COC(=O)C(C)(C)C[N@@H+](CC(C)C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000880383653	687042599	/nfs/dbraw/zinc/04/25/99/687042599.db2.gz	HRMRIGBVFNPDNY-INIZCTEOSA-N	1	1	354.491	2.215	20	30		FEEDMO
C#CCC1(O)CC[NH+](C[C@@H](O)c2ccc(F)c(Br)c2)CC1	ZINC000880481522	687052983	/nfs/dbraw/zinc/05/29/83/687052983.db2.gz	VRMOJIFNGHYZIS-OAHLLOKOSA-N	1	1	356.235	2.472	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNC(=O)Nc2cc(C#N)c(F)cc2F)CCCO1	ZINC000880712514	687077453	/nfs/dbraw/zinc/07/74/53/687077453.db2.gz	PONMFYLHOPPAIS-LBPRGKRZSA-N	1	1	352.385	2.459	20	30		FEEDMO
CCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(Br)c(C#N)n2)C1	ZINC000883116796	687569509	/nfs/dbraw/zinc/56/95/09/687569509.db2.gz	GGFOWUQEBLLHFY-JTQLQIEISA-N	1	1	352.236	2.322	20	30		FEEDMO
N#CC1(C[C@H](O)C[NH+]2CCN(CCCOCC(F)(F)F)CC2)CCC1	ZINC000885964642	688187567	/nfs/dbraw/zinc/18/75/67/688187567.db2.gz	DMCXZSQOHIXBED-HNNXBMFYSA-N	1	1	363.424	2.018	20	30		FEEDMO
C=CCC1(O)CC[NH+](CC(=O)NCc2cc(Cl)ccc2OC)CC1	ZINC000886766713	688304427	/nfs/dbraw/zinc/30/44/27/688304427.db2.gz	PPEHNRPIYWASCD-UHFFFAOYSA-N	1	1	352.862	2.368	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1	ZINC000887965638	688527713	/nfs/dbraw/zinc/52/77/13/688527713.db2.gz	KPXCWSMBEBCPDQ-SJORKVTESA-N	1	1	357.483	2.047	20	30		FEEDMO
C[N@@H+]1CCN(Cc2csc(C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000894285950	689500986	/nfs/dbraw/zinc/50/09/86/689500986.db2.gz	SOBDNACYYSNRIL-AWEZNQCLSA-N	1	1	350.488	2.260	20	30		FEEDMO
C[N@H+]1CCN(Cc2csc(C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000894285950	689500989	/nfs/dbraw/zinc/50/09/89/689500989.db2.gz	SOBDNACYYSNRIL-AWEZNQCLSA-N	1	1	350.488	2.260	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNC(=O)N(C)Cc2cc(C#N)cs2)CCCO1	ZINC000894448993	689533589	/nfs/dbraw/zinc/53/35/89/689533589.db2.gz	RBYUCTLGNDAEII-CQSZACIVSA-N	1	1	350.488	2.262	20	30		FEEDMO
N#Cc1cc(CN2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cs1	ZINC000894451332	689534847	/nfs/dbraw/zinc/53/48/47/689534847.db2.gz	KIYPHBGVHSNXED-UHFFFAOYSA-N	1	1	360.527	2.434	20	30		FEEDMO
Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCc3nc(C#N)cs3)C2)cc1	ZINC000896140897	689825749	/nfs/dbraw/zinc/82/57/49/689825749.db2.gz	JISVBRNMPMSMPF-HNNXBMFYSA-N	1	1	355.467	2.397	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@H+](Cc2cc(C#N)cs2)C1	ZINC000896981973	689958207	/nfs/dbraw/zinc/95/82/07/689958207.db2.gz	NPPIMSNTRFODPK-KRWDZBQOSA-N	1	1	351.472	2.471	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@@]1(CO)CCC[N@@H+](Cc2cc(C#N)cs2)C1	ZINC000896981973	689958211	/nfs/dbraw/zinc/95/82/11/689958211.db2.gz	NPPIMSNTRFODPK-KRWDZBQOSA-N	1	1	351.472	2.471	20	30		FEEDMO
C=CCCn1cc(C(=O)Nc2ccc(NC3=[NH+]CCN3)c(Cl)c2)nn1	ZINC000899047781	690292956	/nfs/dbraw/zinc/29/29/56/690292956.db2.gz	VJKDWMYLBCXMQP-UHFFFAOYSA-N	1	1	359.821	2.131	20	30		FEEDMO
N#Cc1ccccc1C(F)(F)C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO	ZINC000901139261	690617565	/nfs/dbraw/zinc/61/75/65/690617565.db2.gz	PIJDZXJUDRCIQB-OAHLLOKOSA-N	1	1	351.397	2.003	20	30		FEEDMO
C=CCC[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)[C@@]1(C)CCCCO1	ZINC000902792791	690808129	/nfs/dbraw/zinc/80/81/29/690808129.db2.gz	DIWCARWLFJGNGB-CMKODMSKSA-N	1	1	351.535	2.457	20	30		FEEDMO
N#Cc1cc(Cl)cc(CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000903446149	690894410	/nfs/dbraw/zinc/89/44/10/690894410.db2.gz	UJEWXPNUOULTNU-KBXCAEBGSA-N	1	1	360.889	2.292	20	30		FEEDMO
CC(=O)N1CCc2c(C#N)c(NC(=O)[C@H]3CCC[N@H+]3C(C)C)sc2C1	ZINC000906052537	691221621	/nfs/dbraw/zinc/22/16/21/691221621.db2.gz	RJSONQWAEQQTAH-OAHLLOKOSA-N	1	1	360.483	2.336	20	30		FEEDMO
CC(=O)N1CCc2c(C#N)c(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)sc2C1	ZINC000906052537	691221624	/nfs/dbraw/zinc/22/16/24/691221624.db2.gz	RJSONQWAEQQTAH-OAHLLOKOSA-N	1	1	360.483	2.336	20	30		FEEDMO
C[NH+]1CCN([C@H](CNC(=O)c2ccsc2C#N)c2cccs2)CC1	ZINC000906671187	691299716	/nfs/dbraw/zinc/29/97/16/691299716.db2.gz	OKQVOLBJQSPRBS-CQSZACIVSA-N	1	1	360.508	2.400	20	30		FEEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)cc(C)c1C#N)CC2	ZINC001164686273	719700242	/nfs/dbraw/zinc/70/02/42/719700242.db2.gz	YRJYIDPNVYJROL-UHFFFAOYSA-N	1	1	361.877	2.096	20	30		FEEDMO
N#Cc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl	ZINC001164870873	721054958	/nfs/dbraw/zinc/05/49/58/721054958.db2.gz	WZIHLMPZWWJYTI-JKSUJKDBSA-N	1	1	369.856	2.481	20	30		FEEDMO
N#Cc1c(Cl)ccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164871912	721065164	/nfs/dbraw/zinc/06/51/64/721065164.db2.gz	ZQNFCZYMABWXIL-HOTGVXAUSA-N	1	1	369.856	2.481	20	30		FEEDMO
Cc1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(C=NO)c1	ZINC001164877038	721122659	/nfs/dbraw/zinc/12/26/59/721122659.db2.gz	OFEXVUDMUYUOPJ-OALUTQOASA-N	1	1	367.453	2.073	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH]ccc5ncc(C#N)c4-5)C[C@@H]3C2)cn1	ZINC001164773337	721180761	/nfs/dbraw/zinc/18/07/61/721180761.db2.gz	WHTHXEVHRNFIEB-WBVHZDCISA-N	1	1	361.453	2.126	20	30		FEEDMO
Cc1nc(Cl)nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1C#N	ZINC001164781764	721411475	/nfs/dbraw/zinc/41/14/75/721411475.db2.gz	DTSIAHFGXCVWKG-VXGBXAGGSA-N	1	1	360.874	2.335	20	30		FEEDMO
COc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1C#N	ZINC001164897527	721510477	/nfs/dbraw/zinc/51/04/77/721510477.db2.gz	FRHFPGRRXUPYGE-WMZOPIPTSA-N	1	1	368.412	2.443	20	30		FEEDMO
N#Cc1nc(Cl)cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164897214	721519847	/nfs/dbraw/zinc/51/98/47/721519847.db2.gz	FIXFYLQWBOOFMY-UKRRQHHQSA-N	1	1	373.819	2.483	20	30		FEEDMO
COc1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N	ZINC001164902676	721527182	/nfs/dbraw/zinc/52/71/82/721527182.db2.gz	AYTRJPIUEHYCPQ-DOTOQJQBSA-N	1	1	368.412	2.443	20	30		FEEDMO
N#Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cn1	ZINC001164907484	721587542	/nfs/dbraw/zinc/58/75/42/721587542.db2.gz	UFGCDWAOPMVGDY-SFHVURJKSA-N	1	1	370.407	2.481	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1c(C#N)cnc2cnc(Cl)cc21	ZINC001164930447	721852674	/nfs/dbraw/zinc/85/26/74/721852674.db2.gz	SATHLYRYTXCEAJ-DLBZAZTESA-N	1	1	370.888	2.369	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1c(C#N)cnc2cnc(Cl)cc21	ZINC001164930447	721852675	/nfs/dbraw/zinc/85/26/75/721852675.db2.gz	SATHLYRYTXCEAJ-DLBZAZTESA-N	1	1	370.888	2.369	20	30		FEEDMO
N#Cc1cc2c(nc1N1CC[NH+](CCOc3ccccc3)CC1)CCOC2	ZINC000579315519	721961054	/nfs/dbraw/zinc/96/10/54/721961054.db2.gz	DIRCWAFUMRBFSR-UHFFFAOYSA-N	1	1	364.449	2.227	20	30		FEEDMO
Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1C#N	ZINC001164973152	722129457	/nfs/dbraw/zinc/12/94/57/722129457.db2.gz	BARRXMNAXZPOGE-WOJBJXKFSA-N	1	1	363.465	2.384	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000498758896	885703459	/nfs/dbraw/zinc/70/34/59/885703459.db2.gz	GQJCZOBOXQYPBF-ZDUSSCGKSA-N	1	1	356.405	2.441	20	30		FEEDMO
CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCCCC1(C#N)CCOCC1	ZINC000800176080	674029520	/nfs/dbraw/zinc/02/95/20/674029520.db2.gz	WQGISOOUCIGRFA-QGZVFWFLSA-N	1	1	352.475	2.423	20	30		FEEDMO
C=C[C@H](C(=O)OC)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000800329066	674042606	/nfs/dbraw/zinc/04/26/06/674042606.db2.gz	ZTTOCXRBNUPZLA-OAHLLOKOSA-N	1	1	358.360	2.430	20	30		FEEDMO
CO[C@H](C)c1nc(CN2CCC[N@@H+](CCOCCC#N)CC2)cs1	ZINC000549470670	674043539	/nfs/dbraw/zinc/04/35/39/674043539.db2.gz	DLXIDLFPXHATMP-OAHLLOKOSA-N	1	1	352.504	2.288	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc2C1=O	ZINC000008351450	539485344	/nfs/dbraw/zinc/48/53/44/539485344.db2.gz	OCFNJXPDBQDNJO-OAHLLOKOSA-N	1	1	369.465	2.463	20	30		FEEDMO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[N@@H+]1CCCC[C@H]1C	ZINC000047144133	540292282	/nfs/dbraw/zinc/29/22/82/540292282.db2.gz	WURHJDIFOGEYLB-CQSZACIVSA-N	1	1	368.485	2.141	20	30		FEEDMO
CCC[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(C#N)cc1	ZINC000047740031	540326410	/nfs/dbraw/zinc/32/64/10/540326410.db2.gz	SKCNAOWEPAFDNZ-UHFFFAOYSA-N	1	1	373.478	2.497	20	30		FEEDMO
Cc1cccc(C)c1OC[C@H](O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1	ZINC000047859912	540331157	/nfs/dbraw/zinc/33/11/57/540331157.db2.gz	LQRVMPQBLXVMIP-LJQANCHMSA-N	1	1	366.465	2.132	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000048132458	540346799	/nfs/dbraw/zinc/34/67/99/540346799.db2.gz	VGXCABQYHACTAL-UHFFFAOYSA-N	1	1	374.554	2.325	20	30		FEEDMO
N#Cc1c(F)cccc1N1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1	ZINC000048041662	540341806	/nfs/dbraw/zinc/34/18/06/540341806.db2.gz	WLNPTXNKYCTOJW-INIZCTEOSA-N	1	1	373.403	2.398	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000051056938	540420854	/nfs/dbraw/zinc/42/08/54/540420854.db2.gz	FPTIRHRLPYRLOH-BXWFABGCSA-N	1	1	350.507	2.058	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000051056938	540420856	/nfs/dbraw/zinc/42/08/56/540420856.db2.gz	FPTIRHRLPYRLOH-BXWFABGCSA-N	1	1	350.507	2.058	20	30		FEEDMO
N#Cc1c(Cl)nsc1NCCC[NH+]1CCN(c2ncccn2)CC1	ZINC000051677608	540440719	/nfs/dbraw/zinc/44/07/19/540440719.db2.gz	DLVNXMWEEUUKIQ-UHFFFAOYSA-N	1	1	363.878	2.082	20	30		FEEDMO
CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](C)Cc1cccc(C#N)c1)cc2=O	ZINC000052580244	540474355	/nfs/dbraw/zinc/47/43/55/540474355.db2.gz	MFOHEAJLRIULEZ-UHFFFAOYSA-N	1	1	365.393	2.115	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000052800849	540490193	/nfs/dbraw/zinc/49/01/93/540490193.db2.gz	KOOPIGKSOUKBBY-KRWDZBQOSA-N	1	1	353.470	2.079	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000052800849	540490194	/nfs/dbraw/zinc/49/01/94/540490194.db2.gz	KOOPIGKSOUKBBY-KRWDZBQOSA-N	1	1	353.470	2.079	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)N2CCCC2)CC1	ZINC000053846087	540558145	/nfs/dbraw/zinc/55/81/45/540558145.db2.gz	MYVDPUAPFPWKRT-INIZCTEOSA-N	1	1	360.502	2.052	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C[N@H+]3CCC[C@@H](C)C3)cc2C1=O	ZINC000055402743	540651245	/nfs/dbraw/zinc/65/12/45/540651245.db2.gz	DEIKHNQZDSXXNY-HUUCEWRRSA-N	1	1	369.465	2.319	20	30		FEEDMO
N#CCc1cccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)c1	ZINC000057261729	540783501	/nfs/dbraw/zinc/78/35/01/540783501.db2.gz	XKAUGWAEDYUFRH-LJQANCHMSA-N	1	1	362.433	2.455	20	30		FEEDMO
N#CCc1cccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c1	ZINC000057261729	540783504	/nfs/dbraw/zinc/78/35/04/540783504.db2.gz	XKAUGWAEDYUFRH-LJQANCHMSA-N	1	1	362.433	2.455	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CNc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000057552787	540802598	/nfs/dbraw/zinc/80/25/98/540802598.db2.gz	DKRYVLHARNDZJE-MDZRGWNJSA-N	1	1	356.470	2.070	20	30		FEEDMO
Cc1nn(Cc2cn3cc(Br)ccc3[nH+]2)c(=O)c(C#N)c1C	ZINC000064026146	541193009	/nfs/dbraw/zinc/19/30/09/541193009.db2.gz	YXDVZCMGQIOAIV-UHFFFAOYSA-N	1	1	358.199	2.190	20	30		FEEDMO
CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064633446	541213136	/nfs/dbraw/zinc/21/31/36/541213136.db2.gz	VCZVILHLVOCYSB-GOSISDBHSA-N	1	1	355.486	2.256	20	30		FEEDMO
CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064633446	541213139	/nfs/dbraw/zinc/21/31/39/541213139.db2.gz	VCZVILHLVOCYSB-GOSISDBHSA-N	1	1	355.486	2.256	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)C(=O)NCCC[N@@H+](C)C1CCCCC1	ZINC000064764281	541217515	/nfs/dbraw/zinc/21/75/15/541217515.db2.gz	RLJUOFCESFJRHZ-UHFFFAOYSA-N	1	1	372.469	2.276	20	30		FEEDMO
CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000065638736	541250554	/nfs/dbraw/zinc/25/05/54/541250554.db2.gz	IOFFOUAJFGVGRF-MRXNPFEDSA-N	1	1	372.469	2.154	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)CCCCC1	ZINC000065965198	541274797	/nfs/dbraw/zinc/27/47/97/541274797.db2.gz	ZGWUQSGXLMAERL-UHFFFAOYSA-N	1	1	374.529	2.490	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000066313962	541300386	/nfs/dbraw/zinc/30/03/86/541300386.db2.gz	UNXNJMHUZZJFCB-UYAOXDASSA-N	1	1	359.514	2.463	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000066313962	541300390	/nfs/dbraw/zinc/30/03/90/541300390.db2.gz	UNXNJMHUZZJFCB-UYAOXDASSA-N	1	1	359.514	2.463	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000066313962	541300394	/nfs/dbraw/zinc/30/03/94/541300394.db2.gz	UNXNJMHUZZJFCB-UYAOXDASSA-N	1	1	359.514	2.463	20	30		FEEDMO
C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437760	541318529	/nfs/dbraw/zinc/31/85/29/541318529.db2.gz	LIJIBFIDJZJUCY-KZNAEPCWSA-N	1	1	369.513	2.358	20	30		FEEDMO
C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437760	541318532	/nfs/dbraw/zinc/31/85/32/541318532.db2.gz	LIJIBFIDJZJUCY-KZNAEPCWSA-N	1	1	369.513	2.358	20	30		FEEDMO
CC(C)[C@@H](C(=O)NCc1ccc(OCC#N)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000067925901	541528815	/nfs/dbraw/zinc/52/88/15/541528815.db2.gz	OEUFNTIFXPRNES-FCEWJHQRSA-N	1	1	359.470	2.339	20	30		FEEDMO
CC(C)[C@@H](C(=O)NCc1ccc(OCC#N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000067925901	541528817	/nfs/dbraw/zinc/52/88/17/541528817.db2.gz	OEUFNTIFXPRNES-FCEWJHQRSA-N	1	1	359.470	2.339	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)[C@@H](C)C1	ZINC000550879147	674115442	/nfs/dbraw/zinc/11/54/42/674115442.db2.gz	BVXGDTMLQRQERI-LBPRGKRZSA-N	1	1	362.499	2.408	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)[C@@H](C)C1	ZINC000550879147	674115444	/nfs/dbraw/zinc/11/54/44/674115444.db2.gz	BVXGDTMLQRQERI-LBPRGKRZSA-N	1	1	362.499	2.408	20	30		FEEDMO
CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)CS(=O)(=O)CC	ZINC000072633128	541841922	/nfs/dbraw/zinc/84/19/22/541841922.db2.gz	TWHWMWSKMJJZEM-AWEZNQCLSA-N	1	1	351.472	2.032	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)CS(=O)(=O)CC	ZINC000072633128	541841925	/nfs/dbraw/zinc/84/19/25/541841925.db2.gz	TWHWMWSKMJJZEM-AWEZNQCLSA-N	1	1	351.472	2.032	20	30		FEEDMO
C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(N2CCOCC2)cc1	ZINC000072878905	541887917	/nfs/dbraw/zinc/88/79/17/541887917.db2.gz	URVKRQDUDNTAEP-UHFFFAOYSA-N	1	1	370.497	2.298	20	30		FEEDMO
C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(N2CCOCC2)cc1	ZINC000072878905	541887922	/nfs/dbraw/zinc/88/79/22/541887922.db2.gz	URVKRQDUDNTAEP-UHFFFAOYSA-N	1	1	370.497	2.298	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+](CCO)[C@@H]1CCCc2ccccc21	ZINC000074312282	542067778	/nfs/dbraw/zinc/06/77/78/542067778.db2.gz	WFSLWOVFTOWZDM-LJQANCHMSA-N	1	1	354.454	2.014	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000074656845	542108208	/nfs/dbraw/zinc/10/82/08/542108208.db2.gz	DPPMISNZQZHMED-IBGZPJMESA-N	1	1	358.530	2.310	20	30		FEEDMO
CCOC(=O)c1cnc(N2CC[NH+](CCCSCC#N)CC2)s1	ZINC000074991808	542145217	/nfs/dbraw/zinc/14/52/17/542145217.db2.gz	OPACTPICJBNTJU-UHFFFAOYSA-N	1	1	354.501	2.089	20	30		FEEDMO
CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC1CCN(c2ccccn2)CC1	ZINC000076108501	542234195	/nfs/dbraw/zinc/23/41/95/542234195.db2.gz	FPBXCIUTGZLCEX-NRFANRHFSA-N	1	1	369.513	2.428	20	30		FEEDMO
Cc1nc(C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccc1C#N	ZINC000078152741	542445996	/nfs/dbraw/zinc/44/59/96/542445996.db2.gz	GPISATJFJFLJOM-OXQOHEQNSA-N	1	1	364.449	2.281	20	30		FEEDMO
Cc1nc(C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccc1C#N	ZINC000078152741	542445997	/nfs/dbraw/zinc/44/59/97/542445997.db2.gz	GPISATJFJFLJOM-OXQOHEQNSA-N	1	1	364.449	2.281	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1	ZINC000079303683	542511557	/nfs/dbraw/zinc/51/15/57/542511557.db2.gz	LHHKGTVHQRNXOF-IRXDYDNUSA-N	1	1	372.513	2.408	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1	ZINC000079303683	542511560	/nfs/dbraw/zinc/51/15/60/542511560.db2.gz	LHHKGTVHQRNXOF-IRXDYDNUSA-N	1	1	372.513	2.408	20	30		FEEDMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3(C#N)CCC3)cc2)CC1	ZINC000079755914	542541206	/nfs/dbraw/zinc/54/12/06/542541206.db2.gz	QAFJARUZZGRFFD-UHFFFAOYSA-N	1	1	354.454	2.026	20	30		FEEDMO
Cc1ccc(NC(=O)C2CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC2)nc1	ZINC000079895936	542548297	/nfs/dbraw/zinc/54/82/97/542548297.db2.gz	LUEPIVXNKRMNFF-HXUWFJFHSA-N	1	1	371.485	2.095	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1	ZINC000080326233	542584543	/nfs/dbraw/zinc/58/45/43/542584543.db2.gz	MNVLPLUVDBDJNB-UYAOXDASSA-N	1	1	373.497	2.435	20	30		FEEDMO
COc1ccc(C[N@H+](CCCSCC#N)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000080626335	542598335	/nfs/dbraw/zinc/59/83/35/542598335.db2.gz	UNQDSAOVFOJCAR-MRXNPFEDSA-N	1	1	368.524	2.331	20	30		FEEDMO
COc1ccc(C[N@@H+](CCCSCC#N)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000080626335	542598337	/nfs/dbraw/zinc/59/83/37/542598337.db2.gz	UNQDSAOVFOJCAR-MRXNPFEDSA-N	1	1	368.524	2.331	20	30		FEEDMO
CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000081576429	542665879	/nfs/dbraw/zinc/66/58/79/542665879.db2.gz	XWVYVKLXDMEMSP-AWEZNQCLSA-N	1	1	364.877	2.209	20	30		FEEDMO
CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000081525718	542663207	/nfs/dbraw/zinc/66/32/07/542663207.db2.gz	DFKBFVHCEZDKNI-KGLIPLIRSA-N	1	1	362.499	2.333	20	30		FEEDMO
N#CCN1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000081688299	542672857	/nfs/dbraw/zinc/67/28/57/542672857.db2.gz	LFOSHOFIBQVDJK-LJQANCHMSA-N	1	1	358.461	2.284	20	30		FEEDMO
N#CCN1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1	ZINC000081688299	542672861	/nfs/dbraw/zinc/67/28/61/542672861.db2.gz	LFOSHOFIBQVDJK-LJQANCHMSA-N	1	1	358.461	2.284	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2cccc(OCC#N)c2)[C@H](C)C1	ZINC000089770595	542770534	/nfs/dbraw/zinc/77/05/34/542770534.db2.gz	FTYQMZBEEIRKPQ-YLJYHZDGSA-N	1	1	373.497	2.385	20	30		FEEDMO
C[C@H](c1nc(Cc2ccccc2)no1)[N@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089942502	542775739	/nfs/dbraw/zinc/77/57/39/542775739.db2.gz	VIGWAWLXIGVSBN-CYBMUJFWSA-N	1	1	365.441	2.463	20	30		FEEDMO
C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089942502	542775741	/nfs/dbraw/zinc/77/57/41/542775741.db2.gz	VIGWAWLXIGVSBN-CYBMUJFWSA-N	1	1	365.441	2.463	20	30		FEEDMO
Cc1nn(-c2ccccc2)c(CN2CCC[C@@H]2C[NH+]2CCOCC2)c1C#N	ZINC000091070763	542793128	/nfs/dbraw/zinc/79/31/28/542793128.db2.gz	HYQVVCOGWMHQJN-LJQANCHMSA-N	1	1	365.481	2.349	20	30		FEEDMO
COc1ccccc1COC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000092423565	542863430	/nfs/dbraw/zinc/86/34/30/542863430.db2.gz	GYOJACQODMGPEM-NRFANRHFSA-N	1	1	371.481	2.485	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000093360548	542928791	/nfs/dbraw/zinc/92/87/91/542928791.db2.gz	KPZHKEXOZYOUOC-KRWDZBQOSA-N	1	1	351.454	2.422	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000093360547	542928856	/nfs/dbraw/zinc/92/88/56/542928856.db2.gz	KPZHKEXOZYOUOC-QGZVFWFLSA-N	1	1	351.454	2.422	20	30		FEEDMO
COc1ccc(NC(=O)CC[NH+]2CCN(c3ncccc3C#N)CC2)cc1	ZINC000101543716	543030041	/nfs/dbraw/zinc/03/00/41/543030041.db2.gz	WRVRGMJNVFFEHU-UHFFFAOYSA-N	1	1	365.437	2.113	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1	ZINC000103474863	543109323	/nfs/dbraw/zinc/10/93/23/543109323.db2.gz	UBZQZDKZZIXHMY-OAHLLOKOSA-N	1	1	369.469	2.341	20	30		FEEDMO
CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104713396	543138531	/nfs/dbraw/zinc/13/85/31/543138531.db2.gz	GXFCTQICBHKWBN-OAHLLOKOSA-N	1	1	372.469	2.272	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104712461	543138597	/nfs/dbraw/zinc/13/85/97/543138597.db2.gz	SKWZCYYGADBXHQ-MRXNPFEDSA-N	1	1	354.454	2.410	20	30		FEEDMO
CC(C)[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H](C)O	ZINC000107041970	543260135	/nfs/dbraw/zinc/26/01/35/543260135.db2.gz	CKRHKAIIDZWFNI-AWEZNQCLSA-N	1	1	356.388	2.264	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000111265904	543390539	/nfs/dbraw/zinc/39/05/39/543390539.db2.gz	QSEUYRYKQZTSBW-QGZVFWFLSA-N	1	1	356.470	2.008	20	30		FEEDMO
C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000113259032	543479781	/nfs/dbraw/zinc/47/97/81/543479781.db2.gz	BKASIFHWPVPXHY-RYUDHWBXSA-N	1	1	371.890	2.294	20	30		FEEDMO
C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000113259032	543479784	/nfs/dbraw/zinc/47/97/84/543479784.db2.gz	BKASIFHWPVPXHY-RYUDHWBXSA-N	1	1	371.890	2.294	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CC(C)(C)O)c1C#N	ZINC000114728640	543533968	/nfs/dbraw/zinc/53/39/68/543533968.db2.gz	GDFADAIIVASBBI-UHFFFAOYSA-N	1	1	358.442	2.259	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1	ZINC000118975006	543662832	/nfs/dbraw/zinc/66/28/32/543662832.db2.gz	KYBCBHDYDUHPEH-HNNXBMFYSA-N	1	1	370.482	2.244	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](Cn2ccnn2)C1	ZINC000118975006	543662834	/nfs/dbraw/zinc/66/28/34/543662834.db2.gz	KYBCBHDYDUHPEH-HNNXBMFYSA-N	1	1	370.482	2.244	20	30		FEEDMO
CC[N@@H+](CCC(=O)OC)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000119919176	543673270	/nfs/dbraw/zinc/67/32/70/543673270.db2.gz	AQLPKQITKDSIIZ-UHFFFAOYSA-N	1	1	370.371	2.058	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c(F)c1	ZINC000123292256	543753402	/nfs/dbraw/zinc/75/34/02/543753402.db2.gz	VYJRBEDJYSQFCH-UHFFFAOYSA-N	1	1	351.447	2.336	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1	ZINC000124910065	543850433	/nfs/dbraw/zinc/85/04/33/543850433.db2.gz	CDAGOESEGSSDEF-SFHVURJKSA-N	1	1	362.470	2.347	20	30		FEEDMO
C[N@@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C2(CCCCC2)C1	ZINC000125198690	543867431	/nfs/dbraw/zinc/86/74/31/543867431.db2.gz	ITNAJUGQDJKKFD-UHFFFAOYSA-N	1	1	351.447	2.336	20	30		FEEDMO
C[N@H+]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)C2(CCCCC2)C1	ZINC000125198690	543867433	/nfs/dbraw/zinc/86/74/33/543867433.db2.gz	ITNAJUGQDJKKFD-UHFFFAOYSA-N	1	1	351.447	2.336	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000126431413	543935358	/nfs/dbraw/zinc/93/53/58/543935358.db2.gz	VMTFVTDKUSDWLX-FUHWJXTLSA-N	1	1	369.465	2.421	20	30		FEEDMO
O=C(C#Cc1ccc2c(c1)OCO2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000126552080	543942909	/nfs/dbraw/zinc/94/29/09/543942909.db2.gz	NDUINDVUACONTL-SJLPKXTDSA-N	1	1	352.434	2.242	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2nnc(-c3ccccc3)[nH]2)CC1	ZINC000128051479	544029448	/nfs/dbraw/zinc/02/94/48/544029448.db2.gz	CDROJFZWXZJYFZ-GOSISDBHSA-N	1	1	363.465	2.480	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)cc1	ZINC000132569012	544236226	/nfs/dbraw/zinc/23/62/26/544236226.db2.gz	XBNXDZYRMGUUDO-SFHVURJKSA-N	1	1	363.465	2.436	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)cc1	ZINC000132569012	544236228	/nfs/dbraw/zinc/23/62/28/544236228.db2.gz	XBNXDZYRMGUUDO-SFHVURJKSA-N	1	1	363.465	2.436	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000133283287	544263219	/nfs/dbraw/zinc/26/32/19/544263219.db2.gz	GTKJYGGXNSGIHV-CABCVRRESA-N	1	1	360.845	2.235	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)c1	ZINC000139046902	544399720	/nfs/dbraw/zinc/39/97/20/544399720.db2.gz	GFKHXKAYXAYAFH-UHFFFAOYSA-N	1	1	353.401	2.433	20	30		FEEDMO
CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1	ZINC000151093189	544504308	/nfs/dbraw/zinc/50/43/08/544504308.db2.gz	USRDWWNYQCKSSU-UHFFFAOYSA-N	1	1	353.463	2.440	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000151097225	544504763	/nfs/dbraw/zinc/50/47/63/544504763.db2.gz	QPIHPZBXMORLIS-ZDUSSCGKSA-N	1	1	353.463	2.486	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCCC[N@H+]1CCC[C@H]1CO	ZINC000152158418	544620342	/nfs/dbraw/zinc/62/03/42/544620342.db2.gz	PFFOMGADCCHFJT-KRWDZBQOSA-N	1	1	359.470	2.069	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1	ZINC000152168233	544620955	/nfs/dbraw/zinc/62/09/55/544620955.db2.gz	AFRBAQNFTICGJY-WTANOLMUSA-N	1	1	358.490	2.304	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1	ZINC000152168233	544620959	/nfs/dbraw/zinc/62/09/59/544620959.db2.gz	AFRBAQNFTICGJY-WTANOLMUSA-N	1	1	358.490	2.304	20	30		FEEDMO
C=C(C)C[NH+]1CCC(N[C@H](C)c2cccc(S(=O)(=O)NC)c2)CC1	ZINC000153003990	544721656	/nfs/dbraw/zinc/72/16/56/544721656.db2.gz	SXCCOJNKJKRHOG-OAHLLOKOSA-N	1	1	351.516	2.286	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N(CC[NH+](C)C)c1ccccc1	ZINC000185545114	327921838	/nfs/dbraw/zinc/92/18/38/327921838.db2.gz	UFEILAJDFRXSGK-UHFFFAOYSA-N	1	1	359.451	2.324	20	30		FEEDMO
COCCN(C)c1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)cn1	ZINC000191213147	328254207	/nfs/dbraw/zinc/25/42/07/328254207.db2.gz	MFRDAIZMUGRGHK-UHFFFAOYSA-N	1	1	365.481	2.358	20	30		FEEDMO
COc1cccc(OCC[NH+]2CCN(Cc3cc(C#N)n(C)c3)CC2)c1	ZINC000191417514	328264630	/nfs/dbraw/zinc/26/46/30/328264630.db2.gz	AGLLSSZXDYKZAE-UHFFFAOYSA-N	1	1	354.454	2.102	20	30		FEEDMO
C[C@]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)(C(N)=O)c1ccccc1	ZINC000192651465	328330919	/nfs/dbraw/zinc/33/09/19/328330919.db2.gz	MSIXJCSRBQOVLE-GHTZIAJQSA-N	1	1	362.433	2.044	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccccc3Cl)CC2)nc1	ZINC000193849417	328398819	/nfs/dbraw/zinc/39/88/19/328398819.db2.gz	LAAACODSEHBZHX-MRXNPFEDSA-N	1	1	372.856	2.169	20	30		FEEDMO
CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000081527152	325181690	/nfs/dbraw/zinc/18/16/90/325181690.db2.gz	XGWSOIAIXPMVDX-GFCCVEGCSA-N	1	1	362.499	2.141	20	30		FEEDMO
CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000081527152	325181691	/nfs/dbraw/zinc/18/16/91/325181691.db2.gz	XGWSOIAIXPMVDX-GFCCVEGCSA-N	1	1	362.499	2.141	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000088771281	325300831	/nfs/dbraw/zinc/30/08/31/325300831.db2.gz	FUGRKASNJJSLIM-CHWSQXEVSA-N	1	1	362.861	2.387	20	30		FEEDMO
CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000118093030	326079668	/nfs/dbraw/zinc/07/96/68/326079668.db2.gz	YHNJVCJYLCPFHC-UHFFFAOYSA-N	1	1	356.470	2.467	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C1	ZINC000119008878	326118296	/nfs/dbraw/zinc/11/82/96/326118296.db2.gz	PFIDMOWRRDDTES-OAHLLOKOSA-N	1	1	372.469	2.084	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)[C@H](C)C1	ZINC000119708293	326189758	/nfs/dbraw/zinc/18/97/58/326189758.db2.gz	HVCZSYUCBRBEDD-MLGOLLRUSA-N	1	1	362.861	2.339	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000120467301	326261025	/nfs/dbraw/zinc/26/10/25/326261025.db2.gz	CJNVIBSBVHAUNR-HOCLYGCPSA-N	1	1	372.469	2.225	20	30		FEEDMO
C[NH+]1CCN([C@H](C(=O)Nc2ccc(C#N)c(C#N)c2)c2ccccc2)CC1	ZINC000152581323	326710929	/nfs/dbraw/zinc/71/09/29/326710929.db2.gz	HDQAXDVLZCNIFH-FQEVSTJZSA-N	1	1	359.433	2.357	20	30		FEEDMO
CCO[C@H]1C[C@@H](O)C12CC[NH+]([C@@H](C)C(=O)Nc1cccc(C#N)c1)CC2	ZINC000152825337	326717262	/nfs/dbraw/zinc/71/72/62/326717262.db2.gz	QDZXHSILDHSWTE-QGTPRVQTSA-N	1	1	357.454	2.137	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)Cc1cccc(C#N)c1	ZINC000162420067	327025482	/nfs/dbraw/zinc/02/54/82/327025482.db2.gz	AAQFAISRYNUHQN-UZLBHIALSA-N	1	1	369.490	2.498	20	30		FEEDMO
CN(C)c1nc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)ns1	ZINC000163711986	327057131	/nfs/dbraw/zinc/05/71/31/327057131.db2.gz	KLWGBTREPWNWGG-UHFFFAOYSA-N	1	1	356.499	2.184	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000163961494	327061809	/nfs/dbraw/zinc/06/18/09/327061809.db2.gz	DOXAKUPSYDHYNP-OAHLLOKOSA-N	1	1	353.463	2.191	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1	ZINC000171086373	327116849	/nfs/dbraw/zinc/11/68/49/327116849.db2.gz	JEKHDVIJBAUPHX-GOSISDBHSA-N	1	1	370.478	2.286	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cn1	ZINC000171086373	327116850	/nfs/dbraw/zinc/11/68/50/327116850.db2.gz	JEKHDVIJBAUPHX-GOSISDBHSA-N	1	1	370.478	2.286	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1	ZINC000174039556	327302837	/nfs/dbraw/zinc/30/28/37/327302837.db2.gz	BTNXZVQCORBSFC-KRWDZBQOSA-N	1	1	370.478	2.096	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1	ZINC000174886818	327358487	/nfs/dbraw/zinc/35/84/87/327358487.db2.gz	SYKMRPYZEMRAKU-LJQANCHMSA-N	1	1	372.513	2.048	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1C#N	ZINC000174953792	327363487	/nfs/dbraw/zinc/36/34/87/327363487.db2.gz	OXMPAXOHRLPCKI-UHFFFAOYSA-N	1	1	354.454	2.282	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)CCCC[NH+]1CCOCC1	ZINC000264682744	329048175	/nfs/dbraw/zinc/04/81/75/329048175.db2.gz	AKTFTTPMOQQKMO-UHFFFAOYSA-N	1	1	359.470	2.036	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000264729170	329054091	/nfs/dbraw/zinc/05/40/91/329054091.db2.gz	QBJYUTYNLADFFU-QGZVFWFLSA-N	1	1	368.485	2.141	20	30		FEEDMO
CN1CC[N@H+](C)C[C@@H]1CNCc1cccc(OCc2cccc(C#N)c2)c1	ZINC000264769134	329058501	/nfs/dbraw/zinc/05/85/01/329058501.db2.gz	QPAHRZBHMQMUBI-NRFANRHFSA-N	1	1	364.493	2.473	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNCc1cccc(OCc2cccc(C#N)c2)c1	ZINC000264769134	329058503	/nfs/dbraw/zinc/05/85/03/329058503.db2.gz	QPAHRZBHMQMUBI-NRFANRHFSA-N	1	1	364.493	2.473	20	30		FEEDMO
CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H](C)C(=O)Nc1ccccc1C#N)CC2	ZINC000266076629	329187976	/nfs/dbraw/zinc/18/79/76/329187976.db2.gz	XVQBPKKWRGDUKW-ZTFGCOKTSA-N	1	1	357.454	2.137	20	30		FEEDMO
C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCOC1	ZINC000266563458	329236379	/nfs/dbraw/zinc/23/63/79/329236379.db2.gz	NFQSKGAZLGZIEQ-APWZRJJASA-N	1	1	356.470	2.201	20	30		FEEDMO
Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000267540930	329336752	/nfs/dbraw/zinc/33/67/52/329336752.db2.gz	ACFWVICDLJVINX-UHFFFAOYSA-N	1	1	372.372	2.451	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000267553930	329337855	/nfs/dbraw/zinc/33/78/55/329337855.db2.gz	KGWMCQNFOABFHN-QGZVFWFLSA-N	1	1	366.396	2.027	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(N)=O	ZINC000268204777	329396678	/nfs/dbraw/zinc/39/66/78/329396678.db2.gz	RYJALUCSWOFHIT-OAHLLOKOSA-N	1	1	350.422	2.435	20	30		FEEDMO
CC(C)(C)c1nc(CN2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)no1	ZINC000268637342	329441620	/nfs/dbraw/zinc/44/16/20/329441620.db2.gz	GHGWSHUCQAZUIX-KRWDZBQOSA-N	1	1	369.469	2.090	20	30		FEEDMO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(O)cc([N+](=O)[O-])c1	ZINC000274646206	329967565	/nfs/dbraw/zinc/96/75/65/329967565.db2.gz	RJELKSSRKUCLKW-UHFFFAOYSA-N	1	1	368.393	2.376	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)o1	ZINC000286422335	330183721	/nfs/dbraw/zinc/18/37/21/330183721.db2.gz	GQAXKNGFNZTMNQ-CYBMUJFWSA-N	1	1	351.453	2.328	20	30		FEEDMO
CC(C)(CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[N+](=O)[O-]	ZINC000294203489	330192573	/nfs/dbraw/zinc/19/25/73/330192573.db2.gz	AARDDOOIXWMOFN-UHFFFAOYSA-N	1	1	358.442	2.428	20	30		FEEDMO
COc1cc(OC)c2ncc(C#N)c(N3CC[NH+]([C@@H]4CCOC4)CC3)c2c1	ZINC000367260670	330237675	/nfs/dbraw/zinc/23/76/75/330237675.db2.gz	QXIMEOCLYRLHSJ-OAHLLOKOSA-N	1	1	368.437	2.035	20	30		FEEDMO
CNC(=O)CCC[N@@H+](C)CC(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000155315183	545510083	/nfs/dbraw/zinc/51/00/83/545510083.db2.gz	JDENGPYFPMLEMZ-AWEZNQCLSA-N	1	1	362.499	2.477	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1	ZINC000156419796	545626024	/nfs/dbraw/zinc/62/60/24/545626024.db2.gz	YCAVZBUUPXQEET-RDJZCZTQSA-N	1	1	363.527	2.451	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1C#N	ZINC000158034015	545814040	/nfs/dbraw/zinc/81/40/40/545814040.db2.gz	OXODJNHHJBZDSG-ZBEGNZNMSA-N	1	1	360.483	2.001	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1C#N	ZINC000158034015	545814044	/nfs/dbraw/zinc/81/40/44/545814044.db2.gz	OXODJNHHJBZDSG-ZBEGNZNMSA-N	1	1	360.483	2.001	20	30		FEEDMO
C#CCCCCNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000159103656	545921876	/nfs/dbraw/zinc/92/18/76/545921876.db2.gz	OLFODLAWTWBGON-IRXDYDNUSA-N	1	1	371.481	2.154	20	30		FEEDMO
C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1C[N@H+](C)CCO1	ZINC000159130370	545923683	/nfs/dbraw/zinc/92/36/83/545923683.db2.gz	IORWVJVNJOCEAT-HZMBPMFUSA-N	1	1	354.357	2.000	20	30		FEEDMO
C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1C[N@@H+](C)CCO1	ZINC000159130370	545923685	/nfs/dbraw/zinc/92/36/85/545923685.db2.gz	IORWVJVNJOCEAT-HZMBPMFUSA-N	1	1	354.357	2.000	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1	ZINC000160628002	546057799	/nfs/dbraw/zinc/05/77/99/546057799.db2.gz	BWXXUKOTZGDTIP-ABLYMHCQSA-N	1	1	367.449	2.032	20	30		FEEDMO
[NH2+]=C(NCCCCN1CCOCC1)Nc1ccccc1OC(F)(F)F	ZINC000160662818	546060636	/nfs/dbraw/zinc/06/06/36/546060636.db2.gz	BGYOUCIRGNUBTL-UHFFFAOYSA-N	1	1	360.380	2.424	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)NCCCCC#N)[C@H](c2ccccc2)C1	ZINC000171740279	546223259	/nfs/dbraw/zinc/22/32/59/546223259.db2.gz	XHBSHPIUZJVCGA-IBGZPJMESA-N	1	1	357.502	2.358	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)NCCCCC#N)[C@H](c2ccccc2)C1	ZINC000171740279	546223264	/nfs/dbraw/zinc/22/32/64/546223264.db2.gz	XHBSHPIUZJVCGA-IBGZPJMESA-N	1	1	357.502	2.358	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)NCCCCC#N)[C@H](c2ccccc2)C1	ZINC000171740279	546223271	/nfs/dbraw/zinc/22/32/71/546223271.db2.gz	XHBSHPIUZJVCGA-IBGZPJMESA-N	1	1	357.502	2.358	20	30		FEEDMO
C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)CC2	ZINC000173223547	546275574	/nfs/dbraw/zinc/27/55/74/546275574.db2.gz	ZPJYPYQJIWYJKD-SJORKVTESA-N	1	1	354.454	2.121	20	30		FEEDMO
C=CCOc1ccccc1CNc1nc(N2CCn3cnnc3C2)cc[nH+]1	ZINC000479751296	561196320	/nfs/dbraw/zinc/19/63/20/561196320.db2.gz	IMFSQRMAYZYQIH-UHFFFAOYSA-N	1	1	363.425	2.265	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1	ZINC000175851585	546361274	/nfs/dbraw/zinc/36/12/74/546361274.db2.gz	BTENQAFJFZTROE-HOTGVXAUSA-N	1	1	360.483	2.292	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC1	ZINC000176962556	546514993	/nfs/dbraw/zinc/51/49/93/546514993.db2.gz	HQQCSVZJRBXBRM-UHFFFAOYSA-N	1	1	372.874	2.055	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000177470106	546625346	/nfs/dbraw/zinc/62/53/46/546625346.db2.gz	WBZHTCCINVHQQB-SFHVURJKSA-N	1	1	363.845	2.472	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000177470106	546625349	/nfs/dbraw/zinc/62/53/49/546625349.db2.gz	WBZHTCCINVHQQB-SFHVURJKSA-N	1	1	363.845	2.472	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000177514350	546635403	/nfs/dbraw/zinc/63/54/03/546635403.db2.gz	OSHMQPVGTMOVRB-HZPDHXFCSA-N	1	1	365.499	2.034	20	30		FEEDMO
C=C(C)C[N@@H+](C)CC(=O)N(CCOC)CC(=O)Nc1c(C)cccc1C	ZINC000481325407	561230817	/nfs/dbraw/zinc/23/08/17/561230817.db2.gz	ZJRGBAHIZCTXBV-UHFFFAOYSA-N	1	1	361.486	2.225	20	30		FEEDMO
C=C(C)C[N@H+](C)CC(=O)N(CCOC)CC(=O)Nc1c(C)cccc1C	ZINC000481325407	561230818	/nfs/dbraw/zinc/23/08/18/561230818.db2.gz	ZJRGBAHIZCTXBV-UHFFFAOYSA-N	1	1	361.486	2.225	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1	ZINC000178408575	546788058	/nfs/dbraw/zinc/78/80/58/546788058.db2.gz	MTPVLLGLCNBFQO-KRWDZBQOSA-N	1	1	366.421	2.352	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1	ZINC000481617591	561237388	/nfs/dbraw/zinc/23/73/88/561237388.db2.gz	VCPQDOLUSDPLDI-LJQANCHMSA-N	1	1	361.461	2.250	20	30		FEEDMO
Cn1nc2c(cc1=O)C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2	ZINC000179027052	546888741	/nfs/dbraw/zinc/88/87/41/546888741.db2.gz	ULBPMGRIZBGRCT-UHFFFAOYSA-N	1	1	363.339	2.089	20	30		FEEDMO
Cn1nc2c(cc1=O)C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2	ZINC000179027052	546888745	/nfs/dbraw/zinc/88/87/45/546888745.db2.gz	ULBPMGRIZBGRCT-UHFFFAOYSA-N	1	1	363.339	2.089	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2nnc3n2CCCC3)CC1	ZINC000481841043	561243652	/nfs/dbraw/zinc/24/36/52/561243652.db2.gz	NGXZYHSHMAGXHZ-QRWLVFNGSA-N	1	1	372.517	2.237	20	30		FEEDMO
Cn1cc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180011033	547038742	/nfs/dbraw/zinc/03/87/42/547038742.db2.gz	YWRBNOLISLBHOU-INIZCTEOSA-N	1	1	351.454	2.436	20	30		FEEDMO
CC(C)[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)N1CC[NH+](C)CC1	ZINC000180390185	547099027	/nfs/dbraw/zinc/09/90/27/547099027.db2.gz	FNNSBKFPLFFHOO-IBGZPJMESA-N	1	1	354.498	2.244	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](CC3CC3)CC3CCC3)CC2)o1	ZINC000483267563	561272219	/nfs/dbraw/zinc/27/22/19/561272219.db2.gz	XSRZIGQMACLSHK-UHFFFAOYSA-N	1	1	371.485	2.015	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C	ZINC000483294807	561273331	/nfs/dbraw/zinc/27/33/31/561273331.db2.gz	JNFPMPSVIWQFBE-GDBMZVCRSA-N	1	1	350.484	2.375	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)C[N@H+](CCO)[C@@H]1CCO[C@@H]1C	ZINC000483294807	561273332	/nfs/dbraw/zinc/27/33/32/561273332.db2.gz	JNFPMPSVIWQFBE-GDBMZVCRSA-N	1	1	350.484	2.375	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CO)c1cccc(Br)c1	ZINC000183915709	547738946	/nfs/dbraw/zinc/73/89/46/547738946.db2.gz	MUTWUKXLEPWVPN-DOMZBBRYSA-N	1	1	368.275	2.080	20	30		FEEDMO
C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1nnnn1-c1ccccc1	ZINC000184841874	547886377	/nfs/dbraw/zinc/88/63/77/547886377.db2.gz	YHGWRUIVOHZQGW-CQSZACIVSA-N	1	1	361.409	2.213	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000185785754	548035961	/nfs/dbraw/zinc/03/59/61/548035961.db2.gz	GBFOIELMAAWQBU-WBVHZDCISA-N	1	1	356.388	2.494	20	30		FEEDMO
C[C@@]1(C(N)=O)CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000185915285	548059208	/nfs/dbraw/zinc/05/92/08/548059208.db2.gz	SPNDLGNMLKCCTO-SFHVURJKSA-N	1	1	360.483	2.167	20	30		FEEDMO
C=CC[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1	ZINC000186634897	548163376	/nfs/dbraw/zinc/16/33/76/548163376.db2.gz	GCDFETAMMBYGRK-OALUTQOASA-N	1	1	355.482	2.111	20	30		FEEDMO
C[C@@H](O)C[NH+]1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1	ZINC000186814893	548199261	/nfs/dbraw/zinc/19/92/61/548199261.db2.gz	IJDRETCJLKBJMW-MRXNPFEDSA-N	1	1	365.433	2.489	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1	ZINC000188342292	548277356	/nfs/dbraw/zinc/27/73/56/548277356.db2.gz	LPNQKLDZJWIAIE-NRFANRHFSA-N	1	1	373.497	2.170	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1	ZINC000191942742	548353350	/nfs/dbraw/zinc/35/33/50/548353350.db2.gz	FOTHSZPNPIQWGW-UHFFFAOYSA-N	1	1	353.444	2.140	20	30		FEEDMO
C=CCn1c2nnc(SCCc3c[nH+]cn3C)n2c2ccccc2c1=O	ZINC000487121471	561364305	/nfs/dbraw/zinc/36/43/05/561364305.db2.gz	XTQZMCGCSGBORS-UHFFFAOYSA-N	1	1	366.450	2.299	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@@H](CC(N)=O)C1	ZINC000245409468	548910915	/nfs/dbraw/zinc/91/09/15/548910915.db2.gz	MLMMTJJUCFTUEN-NEPJUHHUSA-N	1	1	360.483	2.023	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@@H](CC(N)=O)C1	ZINC000245409468	548910918	/nfs/dbraw/zinc/91/09/18/548910918.db2.gz	MLMMTJJUCFTUEN-NEPJUHHUSA-N	1	1	360.483	2.023	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc(Cl)c1C#N	ZINC000246097181	549050886	/nfs/dbraw/zinc/05/08/86/549050886.db2.gz	LLGSXRYSKJGCON-STQMWFEESA-N	1	1	353.875	2.459	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](Cn2ccnn2)C1	ZINC000246486147	549143820	/nfs/dbraw/zinc/14/38/20/549143820.db2.gz	AJNXPIYPTRJGPF-SFANZJOMSA-N	1	1	372.517	2.309	20	30		FEEDMO
C=C(C)COCCNC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000246633139	549179137	/nfs/dbraw/zinc/17/91/37/549179137.db2.gz	XMKBRHSELJKCOJ-FQEVSTJZSA-N	1	1	374.529	2.257	20	30		FEEDMO
C=C(C)COCCNC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1	ZINC000246633139	549179140	/nfs/dbraw/zinc/17/91/40/549179140.db2.gz	XMKBRHSELJKCOJ-FQEVSTJZSA-N	1	1	374.529	2.257	20	30		FEEDMO
C=C(C)COCCNC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000246633139	549179144	/nfs/dbraw/zinc/17/91/44/549179144.db2.gz	XMKBRHSELJKCOJ-FQEVSTJZSA-N	1	1	374.529	2.257	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@@H](C)C1	ZINC000246693137	549190149	/nfs/dbraw/zinc/19/01/49/549190149.db2.gz	DGLHHNRLCRVWEK-FUHWJXTLSA-N	1	1	359.470	2.456	20	30		FEEDMO
CCOc1ccc(OCC[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1	ZINC000247007842	549263659	/nfs/dbraw/zinc/26/36/59/549263659.db2.gz	HAPLKGWPROUJSZ-MRXNPFEDSA-N	1	1	367.453	2.336	20	30		FEEDMO
CCOc1ccc(OCC[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)cc1	ZINC000247007842	549263663	/nfs/dbraw/zinc/26/36/63/549263663.db2.gz	HAPLKGWPROUJSZ-MRXNPFEDSA-N	1	1	367.453	2.336	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCO[C@@H](C#N)C2)cc1	ZINC000247868145	549387299	/nfs/dbraw/zinc/38/72/99/549387299.db2.gz	XCJSWJRUNMTNII-LPHOPBHVSA-N	1	1	356.470	2.495	20	30		FEEDMO
Cc1cc(C)cc(OC[C@H](O)C[NH+]2CCN(c3ncccc3C#N)CC2)c1	ZINC000247879452	549388490	/nfs/dbraw/zinc/38/84/90/549388490.db2.gz	QMTKLYJUGCPARI-LJQANCHMSA-N	1	1	366.465	2.132	20	30		FEEDMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cn3ccccc3c2C#N)C1	ZINC000247879487	549388504	/nfs/dbraw/zinc/38/85/04/549388504.db2.gz	PLTGDROPBRMJDE-JKSUJKDBSA-N	1	1	354.454	2.174	20	30		FEEDMO
Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)nn1-c1cccc(C#N)c1	ZINC000489332814	561408372	/nfs/dbraw/zinc/40/83/72/561408372.db2.gz	RNHSCMWAGJZPDY-IBGZPJMESA-N	1	1	351.454	2.465	20	30		FEEDMO
CC1([C@H]2CCC[N@@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)OCCO1	ZINC000248451729	549441373	/nfs/dbraw/zinc/44/13/73/549441373.db2.gz	JFSACJMJNWUBPO-GJZGRUSLSA-N	1	1	361.467	2.200	20	30		FEEDMO
CC1([C@H]2CCC[N@H+]([C@H]3CCN(c4sccc4C#N)C3=O)C2)OCCO1	ZINC000248451729	549441377	/nfs/dbraw/zinc/44/13/77/549441377.db2.gz	JFSACJMJNWUBPO-GJZGRUSLSA-N	1	1	361.467	2.200	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000248705401	549487346	/nfs/dbraw/zinc/48/73/46/549487346.db2.gz	ASBNRUURRZJCLL-RDTXWAMCSA-N	1	1	373.453	2.496	20	30		FEEDMO
C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000489473862	561412301	/nfs/dbraw/zinc/41/23/01/561412301.db2.gz	JWGHXSVLLJFGII-DLBZAZTESA-N	1	1	358.511	2.497	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000489636313	561416075	/nfs/dbraw/zinc/41/60/75/561416075.db2.gz	RTHJEUXEYPSOMJ-AUUYWEPGSA-N	1	1	373.453	2.496	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000249288123	549576560	/nfs/dbraw/zinc/57/65/60/549576560.db2.gz	LYELFEBJBUJBBO-QFBILLFUSA-N	1	1	358.486	2.223	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](N[C@@H](C(=O)OC)c2cccc(C#N)c2)[C@@H](C)C1	ZINC000249450333	549593589	/nfs/dbraw/zinc/59/35/89/549593589.db2.gz	OFMKHPYOZUMOPA-FFZOFVMBSA-N	1	1	373.497	2.499	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)C1	ZINC000250216311	549639692	/nfs/dbraw/zinc/63/96/92/549639692.db2.gz	ULUILDYZMMPBIM-QAPCUYQASA-N	1	1	357.454	2.353	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)C1	ZINC000250216311	549639696	/nfs/dbraw/zinc/63/96/96/549639696.db2.gz	ULUILDYZMMPBIM-QAPCUYQASA-N	1	1	357.454	2.353	20	30		FEEDMO
C=C(C)C[N@H+](CC)[C@@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000263735405	549928711	/nfs/dbraw/zinc/92/87/11/549928711.db2.gz	FTWBXKQWPCXIOC-NSHDSACASA-N	1	1	357.376	2.445	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1OC	ZINC000264562808	549997774	/nfs/dbraw/zinc/99/77/74/549997774.db2.gz	RCVPARGBJIHIFF-DBWMJRBXSA-N	1	1	360.454	2.110	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1	ZINC000264938894	550004461	/nfs/dbraw/zinc/00/44/61/550004461.db2.gz	HLGWJFMMQKRLDJ-UHFFFAOYSA-N	1	1	355.482	2.424	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](COCc2ccccc2)C1	ZINC000266773630	550024183	/nfs/dbraw/zinc/02/41/83/550024183.db2.gz	XVPGVAQMVSHLMX-IBGZPJMESA-N	1	1	354.454	2.181	20	30		FEEDMO
N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1	ZINC000267537333	550032819	/nfs/dbraw/zinc/03/28/19/550032819.db2.gz	UAVZCGKJLLCWFL-MJGOQNOKSA-N	1	1	358.461	2.142	20	30		FEEDMO
N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1	ZINC000267537333	550032821	/nfs/dbraw/zinc/03/28/21/550032821.db2.gz	UAVZCGKJLLCWFL-MJGOQNOKSA-N	1	1	358.461	2.142	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CCOCCOC)Cc1ccccc1	ZINC000268366991	550055045	/nfs/dbraw/zinc/05/50/45/550055045.db2.gz	VEUUFBVVKNHTAD-SFHVURJKSA-N	1	1	361.486	2.160	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CCOCCOC)Cc1ccccc1	ZINC000268366991	550055047	/nfs/dbraw/zinc/05/50/47/550055047.db2.gz	VEUUFBVVKNHTAD-SFHVURJKSA-N	1	1	361.486	2.160	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000268394571	550058531	/nfs/dbraw/zinc/05/85/31/550058531.db2.gz	YHRVPWAOHAKSAV-YWZLYKJASA-N	1	1	373.453	2.215	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000268394571	550058534	/nfs/dbraw/zinc/05/85/34/550058534.db2.gz	YHRVPWAOHAKSAV-YWZLYKJASA-N	1	1	373.453	2.215	20	30		FEEDMO
C[C@@H](C#N)CN(C)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000269061579	550150067	/nfs/dbraw/zinc/15/00/67/550150067.db2.gz	ZYRVHRPEQWMOEC-HNNXBMFYSA-N	1	1	363.893	2.263	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2cccc(OCC(F)(F)F)c2)CC1	ZINC000269263192	550173455	/nfs/dbraw/zinc/17/34/55/550173455.db2.gz	ITQAGYLOSHNURE-UHFFFAOYSA-N	1	1	354.372	2.338	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000269724530	550220271	/nfs/dbraw/zinc/22/02/71/550220271.db2.gz	RAAACDFOAGALPS-UHFFFAOYSA-N	1	1	363.465	2.204	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21)C1CC1	ZINC000270439284	550272557	/nfs/dbraw/zinc/27/25/57/550272557.db2.gz	JKUXVLVKVWNSHT-UZLBHIALSA-N	1	1	351.454	2.309	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2	ZINC000270679665	550296011	/nfs/dbraw/zinc/29/60/11/550296011.db2.gz	UKEBHZFLVHENPS-UHFFFAOYSA-N	1	1	369.368	2.211	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1	ZINC000270878740	550316611	/nfs/dbraw/zinc/31/66/11/550316611.db2.gz	JXENOLNHKCWMPT-GOSISDBHSA-N	1	1	368.481	2.247	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c1	ZINC000270878740	550316613	/nfs/dbraw/zinc/31/66/13/550316613.db2.gz	JXENOLNHKCWMPT-GOSISDBHSA-N	1	1	368.481	2.247	20	30		FEEDMO
COc1cc(OC)cc(OCCC[N@@H+](C)CCC(=O)N(C)CCC#N)c1	ZINC000271519010	550381625	/nfs/dbraw/zinc/38/16/25/550381625.db2.gz	IZDRGVZABZBLJX-UHFFFAOYSA-N	1	1	363.458	2.167	20	30		FEEDMO
C=CCCOCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000272931501	550477082	/nfs/dbraw/zinc/47/70/82/550477082.db2.gz	CHNJKGNPYLDVQL-LJQANCHMSA-N	1	1	361.486	2.035	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1	ZINC000273048835	550482437	/nfs/dbraw/zinc/48/24/37/550482437.db2.gz	WONKSJCPEOIXSX-QGZVFWFLSA-N	1	1	359.451	2.408	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CO)c1cnn(C)c1	ZINC000275220810	550571121	/nfs/dbraw/zinc/57/11/21/550571121.db2.gz	UIZFAEBMZIVQAK-CJNGLKHVSA-N	1	1	373.482	2.076	20	30		FEEDMO
C=CCC[N@H+](C)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1	ZINC000276082036	550576482	/nfs/dbraw/zinc/57/64/82/550576482.db2.gz	BAWSXWLIZIDAKY-UHFFFAOYSA-N	1	1	357.498	2.234	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000276513651	550578823	/nfs/dbraw/zinc/57/88/23/550578823.db2.gz	XWMJTAYJYQHCPP-IYBDPMFKSA-N	1	1	359.470	2.269	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000276513651	550578825	/nfs/dbraw/zinc/57/88/25/550578825.db2.gz	XWMJTAYJYQHCPP-IYBDPMFKSA-N	1	1	359.470	2.269	20	30		FEEDMO
C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@@](=O)C1	ZINC000277588733	550688436	/nfs/dbraw/zinc/68/84/36/550688436.db2.gz	WNLRBOKGFOLNOM-DAOPMYJZSA-N	1	1	353.875	2.241	20	30		FEEDMO
C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@@](=O)C1	ZINC000277588733	550688438	/nfs/dbraw/zinc/68/84/38/550688438.db2.gz	WNLRBOKGFOLNOM-DAOPMYJZSA-N	1	1	353.875	2.241	20	30		FEEDMO
CN(CC[N@@H+]1CCOC(C)(C)C1)CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000279714530	550920513	/nfs/dbraw/zinc/92/05/13/550920513.db2.gz	KWEVSIPOXHFOFQ-UHFFFAOYSA-N	1	1	364.877	2.193	20	30		FEEDMO
CN(CC[N@H+]1CCOC(C)(C)C1)CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000279714530	550920514	/nfs/dbraw/zinc/92/05/14/550920514.db2.gz	KWEVSIPOXHFOFQ-UHFFFAOYSA-N	1	1	364.877	2.193	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNC(=O)c2cc(-c3cccc(C#N)c3)no2)CCCO1	ZINC000280006698	550951841	/nfs/dbraw/zinc/95/18/41/550951841.db2.gz	CCZGINBMOIKFBI-HNNXBMFYSA-N	1	1	368.437	2.444	20	30		FEEDMO
C=CCCCNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000280171830	550967981	/nfs/dbraw/zinc/96/79/81/550967981.db2.gz	SWRVDCWUIYEPQE-UHFFFAOYSA-N	1	1	374.485	2.113	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1	ZINC000280578421	551009716	/nfs/dbraw/zinc/00/97/16/551009716.db2.gz	HJNXSVJGYNVUHW-UHFFFAOYSA-N	1	1	366.421	2.029	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000280981148	551051692	/nfs/dbraw/zinc/05/16/92/551051692.db2.gz	DAXMPDQRMHVQNY-VQIMIIECSA-N	1	1	353.422	2.073	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)C1=O	ZINC000281386127	551090923	/nfs/dbraw/zinc/09/09/23/551090923.db2.gz	PLSAKQAHYROBMU-LSDHHAIUSA-N	1	1	371.250	2.340	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)C1=O	ZINC000281386127	551090924	/nfs/dbraw/zinc/09/09/24/551090924.db2.gz	PLSAKQAHYROBMU-LSDHHAIUSA-N	1	1	371.250	2.340	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C	ZINC000496647943	561495197	/nfs/dbraw/zinc/49/51/97/561495197.db2.gz	GBKUQJAKZGRPLC-UHFFFAOYSA-N	1	1	353.426	2.498	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1	ZINC000281534154	551109809	/nfs/dbraw/zinc/10/98/09/551109809.db2.gz	WKRRNYDAOVGVLV-GUDVDZBRSA-N	1	1	362.495	2.347	20	30		FEEDMO
COc1cc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1C#N	ZINC000281790032	551143571	/nfs/dbraw/zinc/14/35/71/551143571.db2.gz	UJKSBSVCQBMIGM-HXUWFJFHSA-N	1	1	351.450	2.076	20	30		FEEDMO
COc1cc(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1C#N	ZINC000281790032	551143573	/nfs/dbraw/zinc/14/35/73/551143573.db2.gz	UJKSBSVCQBMIGM-HXUWFJFHSA-N	1	1	351.450	2.076	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1	ZINC000281855854	551149085	/nfs/dbraw/zinc/14/90/85/551149085.db2.gz	RPCYOWJEWGJWHS-FUHWJXTLSA-N	1	1	355.442	2.356	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)C1=O	ZINC000281869027	551150782	/nfs/dbraw/zinc/15/07/82/551150782.db2.gz	BZQLRAYHGIMDBB-UKRRQHHQSA-N	1	1	372.387	2.164	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2	ZINC000281939472	551160140	/nfs/dbraw/zinc/16/01/40/551160140.db2.gz	XETYXTRKQIDRQG-HNAYVOBHSA-N	1	1	371.481	2.448	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2	ZINC000281939472	551160141	/nfs/dbraw/zinc/16/01/41/551160141.db2.gz	XETYXTRKQIDRQG-HNAYVOBHSA-N	1	1	371.481	2.448	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCNC1=O	ZINC000282278598	551205380	/nfs/dbraw/zinc/20/53/80/551205380.db2.gz	IBRUPAMQDLUFGP-CQSZACIVSA-N	1	1	360.483	2.038	20	30		FEEDMO
C=CCn1c(-c2cccnc2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000282280552	551205572	/nfs/dbraw/zinc/20/55/72/551205572.db2.gz	MZIKRRXTZUPHTC-IYBDPMFKSA-N	1	1	356.474	2.072	20	30		FEEDMO
C=CCn1c(-c2cccnc2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000282280552	551205574	/nfs/dbraw/zinc/20/55/74/551205574.db2.gz	MZIKRRXTZUPHTC-IYBDPMFKSA-N	1	1	356.474	2.072	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)O1	ZINC000282365757	551218155	/nfs/dbraw/zinc/21/81/55/551218155.db2.gz	DOKSQKNTHITYQR-PILAGYSTSA-N	1	1	371.437	2.070	20	30		FEEDMO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000282644903	551255532	/nfs/dbraw/zinc/25/55/32/551255532.db2.gz	QCGMSAUOKPCFDR-QAPCUYQASA-N	1	1	367.501	2.318	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c(F)c1	ZINC000283069526	551306773	/nfs/dbraw/zinc/30/67/73/551306773.db2.gz	XIJOLTXWPURYRQ-STQMWFEESA-N	1	1	363.408	2.121	20	30		FEEDMO
C[C@H](NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1	ZINC000283534111	551383081	/nfs/dbraw/zinc/38/30/81/551383081.db2.gz	DKSOICIYUBEUAK-YJBOKZPZSA-N	1	1	356.470	2.068	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000498017867	561513986	/nfs/dbraw/zinc/51/39/86/561513986.db2.gz	JMISGONPVKWFDR-PMACEKPBSA-N	1	1	354.498	2.487	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1	ZINC000283913414	551448749	/nfs/dbraw/zinc/44/87/49/551448749.db2.gz	IQINYNMNPYDAKH-WMZOPIPTSA-N	1	1	370.497	2.220	20	30		FEEDMO
C[N@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1	ZINC000283992918	551464063	/nfs/dbraw/zinc/46/40/63/551464063.db2.gz	DECKJOXSNPWHJV-SFTDATJTSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1	ZINC000283992918	551464065	/nfs/dbraw/zinc/46/40/65/551464065.db2.gz	DECKJOXSNPWHJV-SFTDATJTSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1	ZINC000283992918	551464069	/nfs/dbraw/zinc/46/40/69/551464069.db2.gz	DECKJOXSNPWHJV-SFTDATJTSA-N	1	1	365.477	2.157	20	30		FEEDMO
COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)Cc2cccc(C#N)c2)cc1	ZINC000284012253	551467806	/nfs/dbraw/zinc/46/78/06/551467806.db2.gz	PYPWDSDEDUYJAW-LJQANCHMSA-N	1	1	373.478	2.289	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH2+][C@H](c1nc(C)no1)C1CCOCC1	ZINC000498338302	561522659	/nfs/dbraw/zinc/52/26/59/561522659.db2.gz	BEBDXAMWDGVONK-SFHVURJKSA-N	1	1	372.425	2.395	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)o1)C(C)C	ZINC000498362255	561523194	/nfs/dbraw/zinc/52/31/94/561523194.db2.gz	HRPMYBIQBMGEKG-AWEZNQCLSA-N	1	1	354.472	2.112	20	30		FEEDMO
Cc1nc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)ccc1C#N	ZINC000284696673	551610774	/nfs/dbraw/zinc/61/07/74/551610774.db2.gz	YHRBBJNIGQHRTP-QFBILLFUSA-N	1	1	366.469	2.150	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C	ZINC000285771425	551808431	/nfs/dbraw/zinc/80/84/31/551808431.db2.gz	DMBCBSOFXNYWJR-HBFSDRIKSA-N	1	1	370.497	2.117	20	30		FEEDMO
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C#N)o1	ZINC000286442960	551885804	/nfs/dbraw/zinc/88/58/04/551885804.db2.gz	HZVURXGMMZMNLM-RDJZCZTQSA-N	1	1	357.435	2.456	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1	ZINC000286919230	551940262	/nfs/dbraw/zinc/94/02/62/551940262.db2.gz	AWPJPNSOIYZLNP-LEWJYISDSA-N	1	1	370.541	2.192	20	30		FEEDMO
N#Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc(N)c1[N+](=O)[O-]	ZINC000287185935	551974371	/nfs/dbraw/zinc/97/43/71/551974371.db2.gz	ZVDVSOMWNONVEU-KRWDZBQOSA-N	1	1	367.409	2.362	20	30		FEEDMO
N#Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(N)c1[N+](=O)[O-]	ZINC000287185935	551974372	/nfs/dbraw/zinc/97/43/72/551974372.db2.gz	ZVDVSOMWNONVEU-KRWDZBQOSA-N	1	1	367.409	2.362	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000287721840	552038155	/nfs/dbraw/zinc/03/81/55/552038155.db2.gz	ACJYSCQHHUSOEG-BEFAXECRSA-N	1	1	362.433	2.276	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(c3ccnc(C#N)c3)CC2)C1	ZINC000288327805	552134140	/nfs/dbraw/zinc/13/41/40/552134140.db2.gz	VINMSKPICAMILV-KRWDZBQOSA-N	1	1	357.458	2.085	20	30		FEEDMO
COC(=O)[C@H](N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1(OC)CCC1	ZINC000289442995	552322080	/nfs/dbraw/zinc/32/20/80/552322080.db2.gz	WQIJDJJXORWBGY-IBGZPJMESA-N	1	1	371.481	2.177	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)c1ccc(Cl)cc1	ZINC000290090835	552425440	/nfs/dbraw/zinc/42/54/40/552425440.db2.gz	HVDDQNWDYKQHDU-MRXNPFEDSA-N	1	1	364.858	2.188	20	30		FEEDMO
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000290099602	552427443	/nfs/dbraw/zinc/42/74/43/552427443.db2.gz	QHBLISDHOJDMJX-CABCVRRESA-N	1	1	360.458	2.153	20	30		FEEDMO
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000290162358	552436825	/nfs/dbraw/zinc/43/68/25/552436825.db2.gz	WZDNZGCFQFULSL-CQSZACIVSA-N	1	1	361.490	2.290	20	30		FEEDMO
C#Cc1ccccc1CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000290476798	552485125	/nfs/dbraw/zinc/48/51/25/552485125.db2.gz	KLUTYWRZDMNAFQ-UHFFFAOYSA-N	1	1	361.445	2.237	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000501116439	561590380	/nfs/dbraw/zinc/59/03/80/561590380.db2.gz	RQUKYDDCSGVQFB-HSALFYBXSA-N	1	1	362.562	2.066	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000501116441	561590425	/nfs/dbraw/zinc/59/04/25/561590425.db2.gz	RQUKYDDCSGVQFB-ZCNNSNEGSA-N	1	1	362.562	2.066	20	30		FEEDMO
Cn1cc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C(F)F)n1	ZINC000291011201	552576091	/nfs/dbraw/zinc/57/60/91/552576091.db2.gz	FBAHLWGNRKEEIV-HNNXBMFYSA-N	1	1	359.380	2.120	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1	ZINC000291194649	552598720	/nfs/dbraw/zinc/59/87/20/552598720.db2.gz	JTHDFNXIKSMWJD-RTBURBONSA-N	1	1	356.470	2.223	20	30		FEEDMO
CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000291460685	552626770	/nfs/dbraw/zinc/62/67/70/552626770.db2.gz	DFMBEUIFYFTVID-CQSZACIVSA-N	1	1	361.490	2.308	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](n3cccn3)C2)c(OC)c1	ZINC000292014061	552684784	/nfs/dbraw/zinc/68/47/84/552684784.db2.gz	XXUXJAWFWXBIMH-ROUUACIJSA-N	1	1	357.454	2.307	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1	ZINC000292048366	552688455	/nfs/dbraw/zinc/68/84/55/552688455.db2.gz	AQUJZVONZCZWPG-UZLBHIALSA-N	1	1	356.445	2.078	20	30		FEEDMO
COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292104286	552694254	/nfs/dbraw/zinc/69/42/54/552694254.db2.gz	GQFKENYXVLTHPP-KDOFPFPSSA-N	1	1	366.421	2.442	20	30		FEEDMO
COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000292104286	552694255	/nfs/dbraw/zinc/69/42/55/552694255.db2.gz	GQFKENYXVLTHPP-KDOFPFPSSA-N	1	1	366.421	2.442	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2=O)cc1	ZINC000292248570	552708683	/nfs/dbraw/zinc/70/86/83/552708683.db2.gz	QSCXRFSIGBAQHZ-MOPGFXCFSA-N	1	1	373.416	2.084	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2=O)cc1	ZINC000292248570	552708684	/nfs/dbraw/zinc/70/86/84/552708684.db2.gz	QSCXRFSIGBAQHZ-MOPGFXCFSA-N	1	1	373.416	2.084	20	30		FEEDMO
CCS(=O)(=O)CCCCC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292272687	552711040	/nfs/dbraw/zinc/71/10/40/552711040.db2.gz	SHULMNSKWOYWER-INIZCTEOSA-N	1	1	351.472	2.011	20	30		FEEDMO
CCS(=O)(=O)CCCCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292272687	552711041	/nfs/dbraw/zinc/71/10/41/552711041.db2.gz	SHULMNSKWOYWER-INIZCTEOSA-N	1	1	351.472	2.011	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)nc1	ZINC000292350147	552718632	/nfs/dbraw/zinc/71/86/32/552718632.db2.gz	XKJPRWLEDHDJFM-OAHLLOKOSA-N	1	1	354.366	2.394	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(C)c1	ZINC000293493228	552829271	/nfs/dbraw/zinc/82/92/71/552829271.db2.gz	WOVKOVGOLJLRAW-UHFFFAOYSA-N	1	1	355.360	2.024	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(F)cc1OC(C)(C)C	ZINC000293503054	552830275	/nfs/dbraw/zinc/83/02/75/552830275.db2.gz	XKVWZPQSVWEKQO-UHFFFAOYSA-N	1	1	363.433	2.013	20	30		FEEDMO
N#Cc1ccsc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000293666692	552845330	/nfs/dbraw/zinc/84/53/30/552845330.db2.gz	MJTIMRYDHVZTOS-UKRRQHHQSA-N	1	1	358.467	2.034	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)C(=O)Nc2sccc2C#N)C[N@H+]1Cc1ccccc1	ZINC000294230827	552889828	/nfs/dbraw/zinc/88/98/28/552889828.db2.gz	XNZCXLCNHIGPIM-XJKSGUPXSA-N	1	1	368.462	2.337	20	30		FEEDMO
C=CC(C)(C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000294321722	552896816	/nfs/dbraw/zinc/89/68/16/552896816.db2.gz	DXSSKZIVRSGANA-UHFFFAOYSA-N	1	1	359.470	2.176	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000501795509	561605634	/nfs/dbraw/zinc/60/56/34/561605634.db2.gz	YTSQTZCBDKYMCH-FVJLSDCUSA-N	1	1	354.498	2.390	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2	ZINC000295148935	552963446	/nfs/dbraw/zinc/96/34/46/552963446.db2.gz	NGCOXGNCUOJKGX-GOSISDBHSA-N	1	1	360.502	2.041	20	30		FEEDMO
C[C@H]1CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC[N@H+](C2CC2)C1	ZINC000295260509	552977834	/nfs/dbraw/zinc/97/78/34/552977834.db2.gz	FZBCHMLQSKTCJN-WBVHZDCISA-N	1	1	370.472	2.466	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1	ZINC000296842001	553218969	/nfs/dbraw/zinc/21/89/69/553218969.db2.gz	JIUWPODNKVEVTN-UHFFFAOYSA-N	1	1	371.407	2.204	20	30		FEEDMO
CO[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000296931356	553231457	/nfs/dbraw/zinc/23/14/57/553231457.db2.gz	OYGCHARFHOFRBV-LJQANCHMSA-N	1	1	356.470	2.201	20	30		FEEDMO
C[C@@H]1C[NH+](CCOC2CCN(C(=O)CC(C)(C)C#N)CC2)C[C@@H](C)O1	ZINC000503300873	561639139	/nfs/dbraw/zinc/63/91/39/561639139.db2.gz	GOWGIRJIEUASRR-HZPDHXFCSA-N	1	1	351.491	2.043	20	30		FEEDMO
COc1ccc(OCC[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)cc1	ZINC000298457495	553427000	/nfs/dbraw/zinc/42/70/00/553427000.db2.gz	JXBGHCIZVXYBEH-UHFFFAOYSA-N	1	1	353.422	2.194	20	30		FEEDMO
COc1ccc(OCC[N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)cc1	ZINC000298457495	553427002	/nfs/dbraw/zinc/42/70/02/553427002.db2.gz	JXBGHCIZVXYBEH-UHFFFAOYSA-N	1	1	353.422	2.194	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)C1CN(C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000504657652	561660733	/nfs/dbraw/zinc/66/07/33/561660733.db2.gz	HBLMGTUAQTULPL-NRFANRHFSA-N	1	1	365.477	2.309	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1	ZINC000301906511	553690795	/nfs/dbraw/zinc/69/07/95/553690795.db2.gz	AETQUFDZXKHSEI-MRXNPFEDSA-N	1	1	366.387	2.496	20	30		FEEDMO
N#Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1	ZINC000302198505	553709942	/nfs/dbraw/zinc/70/99/42/553709942.db2.gz	GBTUXDUQMMZXDK-QGZVFWFLSA-N	1	1	352.394	2.298	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2	ZINC000505555181	561673866	/nfs/dbraw/zinc/67/38/66/561673866.db2.gz	JFPBQHADROVZRC-FQEVSTJZSA-N	1	1	357.502	2.291	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNc2cc(C#N)c(Br)cn2)CC1	ZINC000603280329	553752504	/nfs/dbraw/zinc/75/25/04/553752504.db2.gz	UXSMHBHGZGQSFX-CYBMUJFWSA-N	1	1	366.307	2.401	20	30		FEEDMO
COc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1	ZINC000327019466	553785498	/nfs/dbraw/zinc/78/54/98/553785498.db2.gz	HWDRUTVHSDLJIF-UHFFFAOYSA-N	1	1	360.435	2.139	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)C1	ZINC000328682670	553806817	/nfs/dbraw/zinc/80/68/17/553806817.db2.gz	DCINSMACQQWCBM-CQSZACIVSA-N	1	1	365.499	2.164	20	30		FEEDMO
Cc1ccc2c(c1)nc(CNC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)n2C	ZINC000328685680	553807347	/nfs/dbraw/zinc/80/73/47/553807347.db2.gz	FTPMESDANOUGHS-INIZCTEOSA-N	1	1	373.501	2.242	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CCCO1	ZINC000328842267	553831230	/nfs/dbraw/zinc/83/12/30/553831230.db2.gz	IAGBWHPXBVYQLK-MRXNPFEDSA-N	1	1	359.470	2.093	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CCO[C@H]1C1CC1	ZINC000328849898	553832305	/nfs/dbraw/zinc/83/23/05/553832305.db2.gz	UHWZULJBWMFDSE-AHRSYUTCSA-N	1	1	372.513	2.268	20	30		FEEDMO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000328954680	553852977	/nfs/dbraw/zinc/85/29/77/553852977.db2.gz	IOAYALHSYDSQRK-UWVAXJGDSA-N	1	1	368.437	2.360	20	30		FEEDMO
CO[C@H]1C[C@@H](CN(C)CC(=O)Nc2nc3c(s2)CCCC3)[N@@H+](C)C1	ZINC000329000930	553862195	/nfs/dbraw/zinc/86/21/95/553862195.db2.gz	GUULSRNEPNHKTF-STQMWFEESA-N	1	1	352.504	2.261	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3ccccc3c(=O)n2C)C1	ZINC000329028567	553867097	/nfs/dbraw/zinc/86/70/97/553867097.db2.gz	WKWPHPHTNOTRKG-INIZCTEOSA-N	1	1	357.454	2.200	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCCN(C(=O)N2CCCC2)C1	ZINC000329036645	553869128	/nfs/dbraw/zinc/86/91/28/553869128.db2.gz	YXDQUKIQQLZKRT-IAGOWNOFSA-N	1	1	365.522	2.045	20	30		FEEDMO
CCc1cc(N2CCC[C@H](NC(=O)N3C[C@H](C)[N@@H+](CC)C[C@@H]3C)C2)ncn1	ZINC000329068239	553874440	/nfs/dbraw/zinc/87/44/40/553874440.db2.gz	XLFVLVOMYSOROT-BQFCYCMXSA-N	1	1	374.533	2.336	20	30		FEEDMO
COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3COCCN3C)CC[N@H+]2C2CC2)c1	ZINC000329068876	553874507	/nfs/dbraw/zinc/87/45/07/553874507.db2.gz	XUGBAMSEONCWIH-CEXWTWQISA-N	1	1	359.470	2.260	20	30		FEEDMO
O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CC12CCCCC2	ZINC000329107035	553881349	/nfs/dbraw/zinc/88/13/49/553881349.db2.gz	HSJCZXSTRDHSTQ-IRXDYDNUSA-N	1	1	363.502	2.379	20	30		FEEDMO
O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1	ZINC000329138066	553887500	/nfs/dbraw/zinc/88/75/00/553887500.db2.gz	HZHPXVNDGVGOGR-YFVAEKQCSA-N	1	1	374.481	2.479	20	30		FEEDMO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)N[C@@H](C)C[N@H+]3CCC[C@@H](C)C3)CC[C@@H]21	ZINC000329148745	553889704	/nfs/dbraw/zinc/88/97/04/553889704.db2.gz	YMYDOFREKVKKRV-TWMKSMIVSA-N	1	1	365.522	2.102	20	30		FEEDMO
CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)NCC2CCCC2)cc[nH+]1	ZINC000329165635	553893556	/nfs/dbraw/zinc/89/35/56/553893556.db2.gz	HOZDHFDXQHANGC-GJZGRUSLSA-N	1	1	364.469	2.153	20	30		FEEDMO
C[C@@H](C(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1)[NH+]1CCSCC1	ZINC000329191112	553898836	/nfs/dbraw/zinc/89/88/36/553898836.db2.gz	QIDKBKZAJHBDGX-XCRHUMRWSA-N	1	1	374.510	2.280	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000329231671	553907499	/nfs/dbraw/zinc/90/74/99/553907499.db2.gz	KUTBMPBNIHOLRH-IAGOWNOFSA-N	1	1	350.507	2.109	20	30		FEEDMO
COc1ccccc1[C@@H](CNC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)[NH+](C)C	ZINC000329250691	553911268	/nfs/dbraw/zinc/91/12/68/553911268.db2.gz	XTNJBFCWNGLDFZ-BZUAXINKSA-N	1	1	360.458	2.263	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C1	ZINC000506399266	561697871	/nfs/dbraw/zinc/69/78/71/561697871.db2.gz	TVFANHYMMIVDGL-HNAYVOBHSA-N	1	1	362.433	2.448	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)[C@H]2C1	ZINC000329257237	553912136	/nfs/dbraw/zinc/91/21/36/553912136.db2.gz	BVRVMEGRUOLSMM-NXHRZFHOSA-N	1	1	362.518	2.108	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3csc(N4CCCC4)n3)[C@H]2C1	ZINC000329278820	553916547	/nfs/dbraw/zinc/91/65/47/553916547.db2.gz	LIGVOWDWAFPCCP-ZBFHGGJFSA-N	1	1	363.531	2.226	20	30		FEEDMO
CCN1CCOC[C@H]1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000329376993	553934106	/nfs/dbraw/zinc/93/41/06/553934106.db2.gz	MACBCEMXQYCUKY-KRWDZBQOSA-N	1	1	367.534	2.477	20	30		FEEDMO
Cc1nc([C@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)c2ccccc2F)no1	ZINC000329399010	553939092	/nfs/dbraw/zinc/93/90/92/553939092.db2.gz	ANYYNMLXZYMCOR-MLGOLLRUSA-N	1	1	361.421	2.199	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000329430580	553945322	/nfs/dbraw/zinc/94/53/22/553945322.db2.gz	HPGMKWSISAUSAX-OAGGEKHMSA-N	1	1	364.490	2.380	20	30		FEEDMO
C[N@H+](CC(=O)Nc1cccc2c1CCN2S(C)(=O)=O)[C@@H]1CCSC1	ZINC000329469322	553952407	/nfs/dbraw/zinc/95/24/07/553952407.db2.gz	XKKLZGFNTRQQGC-GFCCVEGCSA-N	1	1	369.512	2.034	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1cccc2c1CCN2S(C)(=O)=O)[C@@H]1CCSC1	ZINC000329469322	553952410	/nfs/dbraw/zinc/95/24/10/553952410.db2.gz	XKKLZGFNTRQQGC-GFCCVEGCSA-N	1	1	369.512	2.034	20	30		FEEDMO
C[C@]1(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCO[C@@H]1C1CC1	ZINC000329571577	553969673	/nfs/dbraw/zinc/96/96/73/553969673.db2.gz	QSIFDGFGNUNHJB-CTNGQTDRSA-N	1	1	373.497	2.480	20	30		FEEDMO
COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1OC	ZINC000329620958	553978344	/nfs/dbraw/zinc/97/83/44/553978344.db2.gz	GVMWCIQRCLRALN-ZBFHGGJFSA-N	1	1	363.458	2.087	20	30		FEEDMO
COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)cc1OC	ZINC000329620958	553978345	/nfs/dbraw/zinc/97/83/45/553978345.db2.gz	GVMWCIQRCLRALN-ZBFHGGJFSA-N	1	1	363.458	2.087	20	30		FEEDMO
C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O	ZINC000329641321	553981436	/nfs/dbraw/zinc/98/14/36/553981436.db2.gz	XRHJOLSNXUQSDT-SIZVQLJJSA-N	1	1	370.497	2.020	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)N3CCC[C@H]4C(=O)NC[C@H]43)CC2)nc(C)[nH+]1	ZINC000329654422	553982656	/nfs/dbraw/zinc/98/26/56/553982656.db2.gz	LVOVABACPOYYOP-HZPDHXFCSA-N	1	1	372.473	2.027	20	30		FEEDMO
CC(C)(C)[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000329679599	553987325	/nfs/dbraw/zinc/98/73/25/553987325.db2.gz	XLMYHKDWPXGANA-ZIAGYGMSSA-N	1	1	373.519	2.192	20	30		FEEDMO
CC(C)(C)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000329679599	553987329	/nfs/dbraw/zinc/98/73/29/553987329.db2.gz	XLMYHKDWPXGANA-ZIAGYGMSSA-N	1	1	373.519	2.192	20	30		FEEDMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCC2(C1)CCOCC2	ZINC000329688314	553989063	/nfs/dbraw/zinc/98/90/63/553989063.db2.gz	CAZNHKJVYUGMGX-UHFFFAOYSA-N	1	1	373.497	2.435	20	30		FEEDMO
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000329716290	553994332	/nfs/dbraw/zinc/99/43/32/553994332.db2.gz	WGDOBQWKYUWHSO-SJORKVTESA-N	1	1	362.522	2.103	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cccc3c2OCC(=O)N3)C[C@@H]1[NH+]1CCOCC1	ZINC000329729637	553996567	/nfs/dbraw/zinc/99/65/67/553996567.db2.gz	CXRQDOHNXASCSY-BBRMVZONSA-N	1	1	374.441	2.255	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncnc4sccc43)CC2)CC[N@H+]1C	ZINC000329815291	554010903	/nfs/dbraw/zinc/01/09/03/554010903.db2.gz	VDNOGGFNSLLOET-KGLIPLIRSA-N	1	1	374.514	2.210	20	30		FEEDMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2csc(-c3ccccn3)n2)C[C@H]1C	ZINC000329814517	554011068	/nfs/dbraw/zinc/01/10/68/554011068.db2.gz	DTRHMMXSZYKDLW-CHWSQXEVSA-N	1	1	361.471	2.138	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2csc(-c3ccccn3)n2)C[C@H]1C	ZINC000329814517	554011076	/nfs/dbraw/zinc/01/10/76/554011076.db2.gz	DTRHMMXSZYKDLW-CHWSQXEVSA-N	1	1	361.471	2.138	20	30		FEEDMO
Cn1ccnc(N2CCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)c1=O	ZINC000329834090	554014819	/nfs/dbraw/zinc/01/48/19/554014819.db2.gz	LMYWGOOUKGJUTF-DOTOQJQBSA-N	1	1	373.501	2.113	20	30		FEEDMO
CN1CCO[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]21	ZINC000329964489	554040324	/nfs/dbraw/zinc/04/03/24/554040324.db2.gz	QOFTVZOAFLBVKJ-GJZGRUSLSA-N	1	1	360.483	2.101	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C(=O)N1c1ccccc1	ZINC000329970318	554041844	/nfs/dbraw/zinc/04/18/44/554041844.db2.gz	XBGLYDBACVMROX-VYDXJSESSA-N	1	1	367.453	2.143	20	30		FEEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCN(C(C)=O)C1	ZINC000329994420	554046053	/nfs/dbraw/zinc/04/60/53/554046053.db2.gz	ZHFBMOSBHLPKNL-UXHICEINSA-N	1	1	372.513	2.365	20	30		FEEDMO
O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCn2ncnc2C1	ZINC000329994561	554046424	/nfs/dbraw/zinc/04/64/24/554046424.db2.gz	ZJGXFXBLJZHQEA-AYHJJNSGSA-N	1	1	366.469	2.203	20	30		FEEDMO
Cc1nn(C)c(C)c1CCNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C	ZINC000329998487	554046733	/nfs/dbraw/zinc/04/67/33/554046733.db2.gz	SIVZSUFOQDMIRJ-UHFFFAOYSA-N	1	1	355.446	2.120	20	30		FEEDMO
Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1=O	ZINC000330056735	554056646	/nfs/dbraw/zinc/05/66/46/554056646.db2.gz	WIPRTOXFIJHNMZ-HOTGVXAUSA-N	1	1	359.474	2.279	20	30		FEEDMO
C[C@@H]1CN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC[N@H+]1CC(C)(C)O	ZINC000330095637	554063309	/nfs/dbraw/zinc/06/33/09/554063309.db2.gz	VVUURDOYEJSNFN-ODIFPOPNSA-N	1	1	365.518	2.215	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(c2nnc3n2CCCC3)CC1	ZINC000330144608	554073338	/nfs/dbraw/zinc/07/33/38/554073338.db2.gz	KUBBLCFNOCOKIQ-GFCCVEGCSA-N	1	1	360.462	2.215	20	30		FEEDMO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cn1	ZINC000330188296	554081211	/nfs/dbraw/zinc/08/12/11/554081211.db2.gz	UKTAALNGVUYDCY-DNMXQMFDSA-N	1	1	374.489	2.003	20	30		FEEDMO
CC(C)[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CCO1	ZINC000330228383	554089199	/nfs/dbraw/zinc/08/91/99/554089199.db2.gz	PQBAPOUSGJWXQS-BQFCYCMXSA-N	1	1	353.507	2.289	20	30		FEEDMO
CCN(CC(=O)NC(C)C)C(=O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1	ZINC000507714928	561738744	/nfs/dbraw/zinc/73/87/44/561738744.db2.gz	CJBLIWFBCMLNMD-MRXNPFEDSA-N	1	1	358.486	2.314	20	30		FEEDMO
CCN(CC(=O)NC(C)C)C(=O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1	ZINC000507714928	561738746	/nfs/dbraw/zinc/73/87/46/561738746.db2.gz	CJBLIWFBCMLNMD-MRXNPFEDSA-N	1	1	358.486	2.314	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1	ZINC000330258665	554094631	/nfs/dbraw/zinc/09/46/31/554094631.db2.gz	MRQZBPCDIYITNG-IAGOWNOFSA-N	1	1	353.507	2.196	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](Oc3ncccc3F)C2)CC[N@H+]1C	ZINC000330271083	554097288	/nfs/dbraw/zinc/09/72/88/554097288.db2.gz	VJCRFVTWNFXPNT-RBSFLKMASA-N	1	1	350.438	2.461	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21	ZINC000330272569	554097292	/nfs/dbraw/zinc/09/72/92/554097292.db2.gz	XSLLWWGGBYJVJL-SPUZQDLCSA-N	1	1	351.491	2.043	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@H+]1CCC[C@H](C)C1	ZINC000330486464	554128023	/nfs/dbraw/zinc/12/80/23/554128023.db2.gz	CRNOYSXDZMFKNC-UONOGXRCSA-N	1	1	353.463	2.237	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)[C@@H](C)C1	ZINC000330541962	554135368	/nfs/dbraw/zinc/13/53/68/554135368.db2.gz	WTFKNCWAJQKVNR-QWRGUYRKSA-N	1	1	361.364	2.360	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)Nc2c(C)nn(CCOC)c2C)C[C@@H]1C	ZINC000330641983	554149859	/nfs/dbraw/zinc/14/98/59/554149859.db2.gz	DEUFFFIKMKXWSF-BBRMVZONSA-N	1	1	351.495	2.496	20	30		FEEDMO
CN(C)S(=O)(=O)c1ccsc1C(=O)NCC[N@H+]1CCCC(C)(C)C1	ZINC000330950908	554192967	/nfs/dbraw/zinc/19/29/67/554192967.db2.gz	DLMUDDQDHICKRN-UHFFFAOYSA-N	1	1	373.544	2.425	20	30		FEEDMO
CC(=O)N1CC[C@H](NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1	ZINC000331001791	554199369	/nfs/dbraw/zinc/19/93/69/554199369.db2.gz	FWAMGNDDMJQOJH-BBRMVZONSA-N	1	1	352.866	2.067	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2ccc(C(N)=O)cc2F)CC[N@H+]1C[C@@H](C)O	ZINC000331192742	554229049	/nfs/dbraw/zinc/22/90/49/554229049.db2.gz	MCBDFSFXBCFDEN-DGCLKSJQSA-N	1	1	352.410	2.032	20	30		FEEDMO
COC[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1ccc(F)cc1	ZINC000331238481	554234688	/nfs/dbraw/zinc/23/46/88/554234688.db2.gz	VQISBOOKQUPXJH-PBHICJAKSA-N	1	1	367.465	2.204	20	30		FEEDMO
C[C@H](CS(C)(=O)=O)N(C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1	ZINC000331245716	554235878	/nfs/dbraw/zinc/23/58/78/554235878.db2.gz	LYMPFNKQFYMYOA-GDBMZVCRSA-N	1	1	359.536	2.062	20	30		FEEDMO
CC(=O)Nc1ccc(F)c(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1	ZINC000331282191	554241125	/nfs/dbraw/zinc/24/11/25/554241125.db2.gz	VLEMBEHIVONASO-UHFFFAOYSA-N	1	1	365.453	2.136	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@H](CC(F)(F)F)C3)C2=O)cc1	ZINC000555829802	674377880	/nfs/dbraw/zinc/37/78/80/674377880.db2.gz	GZQKRNAWFWFCSO-OCCSQVGLSA-N	1	1	351.328	2.464	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@H](CC(F)(F)F)C3)C2=O)cc1	ZINC000555829802	674377882	/nfs/dbraw/zinc/37/78/82/674377882.db2.gz	GZQKRNAWFWFCSO-OCCSQVGLSA-N	1	1	351.328	2.464	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000331376056	554253702	/nfs/dbraw/zinc/25/37/02/554253702.db2.gz	KVZZLCPSVDUJLQ-OAHLLOKOSA-N	1	1	374.872	2.485	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000331376056	554253704	/nfs/dbraw/zinc/25/37/04/554253704.db2.gz	KVZZLCPSVDUJLQ-OAHLLOKOSA-N	1	1	374.872	2.485	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)N2CCN(c3ccccc3C#N)CC2)C1	ZINC000331464495	554269227	/nfs/dbraw/zinc/26/92/27/554269227.db2.gz	ZPODWZKHHWJYPG-KRWDZBQOSA-N	1	1	355.486	2.122	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000509439616	561799892	/nfs/dbraw/zinc/79/98/92/561799892.db2.gz	XQEHWOFYQYXJNF-HUUCEWRRSA-N	1	1	367.415	2.198	20	30		FEEDMO
C[C@@]1(F)C[NH2+]CCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000332341762	554428960	/nfs/dbraw/zinc/42/89/60/554428960.db2.gz	STYCBQPOZPZQQH-CQSZACIVSA-N	1	1	355.211	2.486	20	30		FEEDMO
C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000332522123	554462167	/nfs/dbraw/zinc/46/21/67/554462167.db2.gz	ZOLWFGXJYPZGOG-GXTWGEPZSA-N	1	1	360.845	2.235	20	30		FEEDMO
C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000332522123	554462170	/nfs/dbraw/zinc/46/21/70/554462170.db2.gz	ZOLWFGXJYPZGOG-GXTWGEPZSA-N	1	1	360.845	2.235	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@H+]1CCCC(C)(C)C1	ZINC000332583748	554476434	/nfs/dbraw/zinc/47/64/34/554476434.db2.gz	ATJVWNQGSUANCA-UHFFFAOYSA-N	1	1	358.486	2.447	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000333044652	554563601	/nfs/dbraw/zinc/56/36/01/554563601.db2.gz	PGANEGISNDOYKB-RDJZCZTQSA-N	1	1	358.511	2.389	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000333357289	554605746	/nfs/dbraw/zinc/60/57/46/554605746.db2.gz	STXDJDUNYDQGSQ-HNNXBMFYSA-N	1	1	361.877	2.137	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)CC1)C1(C#N)CCCCC1	ZINC000334027738	554670269	/nfs/dbraw/zinc/67/02/69/554670269.db2.gz	IMVJLVYMTVUOOJ-KRWDZBQOSA-N	1	1	360.502	2.148	20	30		FEEDMO
N#Cc1ccc(N2CCC[N@@H+](CC(=O)NCc3cccc(C#N)c3)CC2)cc1	ZINC000362069006	554948178	/nfs/dbraw/zinc/94/81/78/554948178.db2.gz	TWFRAURBWMNUPG-UHFFFAOYSA-N	1	1	373.460	2.258	20	30		FEEDMO
N#Cc1ccc(N2CCC[N@H+](CC(=O)NCc3cccc(C#N)c3)CC2)cc1	ZINC000362069006	554948179	/nfs/dbraw/zinc/94/81/79/554948179.db2.gz	TWFRAURBWMNUPG-UHFFFAOYSA-N	1	1	373.460	2.258	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)[C@H](C)C1	ZINC000362231950	554957156	/nfs/dbraw/zinc/95/71/56/554957156.db2.gz	AINDXWITWDKIPK-OAHLLOKOSA-N	1	1	368.437	2.282	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(Cc2ncc(-c3ccc(C#N)cc3)o2)[C@H](C)C1	ZINC000362231950	554957157	/nfs/dbraw/zinc/95/71/57/554957157.db2.gz	AINDXWITWDKIPK-OAHLLOKOSA-N	1	1	368.437	2.282	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)CCCCC1	ZINC000362625003	554976474	/nfs/dbraw/zinc/97/64/74/554976474.db2.gz	YJUVGOLTOKPVHT-KRWDZBQOSA-N	1	1	372.513	2.054	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1	ZINC000511668129	561877367	/nfs/dbraw/zinc/87/73/67/561877367.db2.gz	RRDNPTDMONPJTK-MCIONIFRSA-N	1	1	361.408	2.210	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1	ZINC000511668129	561877368	/nfs/dbraw/zinc/87/73/68/561877368.db2.gz	RRDNPTDMONPJTK-MCIONIFRSA-N	1	1	361.408	2.210	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NC3CCCCC3)C2)CCCCC1	ZINC000363078731	555025178	/nfs/dbraw/zinc/02/51/78/555025178.db2.gz	BLSPWQUCHAGIBU-QGZVFWFLSA-N	1	1	374.529	2.490	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NC3CCCCC3)C2)CCCCC1	ZINC000363078731	555025180	/nfs/dbraw/zinc/02/51/80/555025180.db2.gz	BLSPWQUCHAGIBU-QGZVFWFLSA-N	1	1	374.529	2.490	20	30		FEEDMO
CS[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1N(C)C	ZINC000363689819	555164982	/nfs/dbraw/zinc/16/49/82/555164982.db2.gz	OQKIQYMRYJDMEP-ZWKOTPCHSA-N	1	1	355.511	2.436	20	30		FEEDMO
CS[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1N(C)C	ZINC000363689819	555164984	/nfs/dbraw/zinc/16/49/84/555164984.db2.gz	OQKIQYMRYJDMEP-ZWKOTPCHSA-N	1	1	355.511	2.436	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCC#Cc2cccc(F)c2)C[C@@H](C)O1	ZINC000512183388	561895191	/nfs/dbraw/zinc/89/51/91/561895191.db2.gz	KKPYFQDZRHKRAY-HZPDHXFCSA-N	1	1	361.461	2.364	20	30		FEEDMO
CC[C@H]1CN(C(=O)c2cccc(SCC#N)c2)C[C@@H]1[NH+]1CCOCC1	ZINC000364184710	555265531	/nfs/dbraw/zinc/26/55/31/555265531.db2.gz	TWUCJSBTZNRCPQ-YJBOKZPZSA-N	1	1	359.495	2.485	20	30		FEEDMO
C=CCN(C(=O)Nc1nccn(C)c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364288296	555285520	/nfs/dbraw/zinc/28/55/20/555285520.db2.gz	GSLLVJZDEHEQDF-KRWDZBQOSA-N	1	1	367.453	2.075	20	30		FEEDMO
C[NH+](C)CCN1CCC(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1	ZINC000512334155	561900861	/nfs/dbraw/zinc/90/08/61/561900861.db2.gz	MPKFFBTTXPVYDV-UHFFFAOYSA-N	1	1	372.488	2.119	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nn1-c1cccc(C#N)c1	ZINC000364511187	555327147	/nfs/dbraw/zinc/32/71/47/555327147.db2.gz	UOJKVJONLPZXBN-AEFFLSMTSA-N	1	1	364.453	2.753	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@H]2CCn3c(cnc3-c3ccccc3)C2)CC1	ZINC000364728820	555387251	/nfs/dbraw/zinc/38/72/51/555387251.db2.gz	VHCJJACXMBIFGE-IBGZPJMESA-N	1	1	362.477	2.280	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000512573321	561909499	/nfs/dbraw/zinc/90/94/99/561909499.db2.gz	QSAYAEPOOKPHNT-IEBWSBKVSA-N	1	1	357.502	2.136	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CCN(C)C2=O)CC1	ZINC000365489030	555589030	/nfs/dbraw/zinc/58/90/30/555589030.db2.gz	YOUAWMDSVUDFOS-ZDUSSCGKSA-N	1	1	374.872	2.483	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)C2)n1	ZINC000366039774	555734057	/nfs/dbraw/zinc/73/40/57/555734057.db2.gz	HIXBCTRIBOWFIS-UCLAIMLFSA-N	1	1	367.497	2.077	20	30		FEEDMO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000366148597	555765026	/nfs/dbraw/zinc/76/50/26/555765026.db2.gz	ZMHDACKQWORXQR-OAHLLOKOSA-N	1	1	371.485	2.186	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N1CCC([NH+]2CCN(CCC)CC2)CC1)OCC	ZINC000366824772	555944175	/nfs/dbraw/zinc/94/41/75/555944175.db2.gz	GPHXNLDXUNHNNN-IBGZPJMESA-N	1	1	351.535	2.376	20	30		FEEDMO
N#CC1(CCC[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)CCOCC1	ZINC000367085626	556001024	/nfs/dbraw/zinc/00/10/24/556001024.db2.gz	QUJUCJWEIQHXLX-GOSISDBHSA-N	1	1	363.502	2.094	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1CC[N@H+](CC)C2	ZINC000367194499	556003581	/nfs/dbraw/zinc/00/35/81/556003581.db2.gz	JRMRKUQQPUDVPQ-KXBFYZLASA-N	1	1	371.481	2.101	20	30		FEEDMO
C=CCN(C(=O)c1nc(C)c(C)[nH]c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000367199126	556003607	/nfs/dbraw/zinc/00/36/07/556003607.db2.gz	AZADMSWONBZXED-GOSISDBHSA-N	1	1	366.465	2.289	20	30		FEEDMO
C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[N@@H+]1C1CCN(C)CC1	ZINC000367454274	556054201	/nfs/dbraw/zinc/05/42/01/556054201.db2.gz	NZGHKQOCLPSXLN-DKRLNXSXSA-N	1	1	352.482	2.198	20	30		FEEDMO
C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[N@H+]1C1CCN(C)CC1	ZINC000367454274	556054202	/nfs/dbraw/zinc/05/42/02/556054202.db2.gz	NZGHKQOCLPSXLN-DKRLNXSXSA-N	1	1	352.482	2.198	20	30		FEEDMO
CCCN1CC[NH+](C2CCN(C(=O)c3ccc(F)c(C#N)c3)CC2)CC1	ZINC000367598748	556093923	/nfs/dbraw/zinc/09/39/23/556093923.db2.gz	GGPAKFWBCXEJHN-UHFFFAOYSA-N	1	1	358.461	2.330	20	30		FEEDMO
N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)n2)c(F)c1	ZINC000367804529	556143342	/nfs/dbraw/zinc/14/33/42/556143342.db2.gz	UTRYOCPZXWVSRE-HUUCEWRRSA-N	1	1	368.416	2.631	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1	ZINC000515473100	562011899	/nfs/dbraw/zinc/01/18/99/562011899.db2.gz	VDDBETKVAQUAPC-LJQANCHMSA-N	1	1	357.498	2.438	20	30		FEEDMO
N#Cc1ccc2ncc(C[NH2+]Cc3ccncc3OC[C@@H]3CCOC3)n2c1	ZINC000515701282	562019801	/nfs/dbraw/zinc/01/98/01/562019801.db2.gz	LFYPRLQUOMAGGP-MRXNPFEDSA-N	1	1	363.421	2.306	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1	ZINC000368999729	556472499	/nfs/dbraw/zinc/47/24/99/556472499.db2.gz	GEXIKKJXYQIWGX-HNNXBMFYSA-N	1	1	368.397	2.329	20	30		FEEDMO
N#Cc1cccc(CCNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1	ZINC000369161847	556521602	/nfs/dbraw/zinc/52/16/02/556521602.db2.gz	GCRVZOJYFZDGAO-MOPGFXCFSA-N	1	1	356.470	2.043	20	30		FEEDMO
CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1	ZINC000369311383	556571970	/nfs/dbraw/zinc/57/19/70/556571970.db2.gz	GQGULDAAWJNJFQ-CQSZACIVSA-N	1	1	368.441	2.213	20	30		FEEDMO
Cn1cc([C@@H]2[C@H](CNC(=O)Nc3ccc(C#N)cc3)CCC[N@H+]2C)cn1	ZINC000369421571	556596757	/nfs/dbraw/zinc/59/67/57/556596757.db2.gz	ORHJPKDQRDXZDC-YJBOKZPZSA-N	1	1	352.442	2.496	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000369662216	556662837	/nfs/dbraw/zinc/66/28/37/556662837.db2.gz	GOHBKXWOESVTOZ-NXWXRZEISA-N	1	1	360.502	2.291	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2ccccc2)n1	ZINC000369783918	556693608	/nfs/dbraw/zinc/69/36/08/556693608.db2.gz	LCRQKHZUGQLBNW-IBGZPJMESA-N	1	1	366.469	2.306	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CC(=O)N(CCC#N)c2ccccc2)n1	ZINC000369783918	556693610	/nfs/dbraw/zinc/69/36/10/556693610.db2.gz	LCRQKHZUGQLBNW-IBGZPJMESA-N	1	1	366.469	2.306	20	30		FEEDMO
N#Cc1ccc(Cl)c(S(=O)(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1	ZINC000370440285	556873982	/nfs/dbraw/zinc/87/39/82/556873982.db2.gz	WVDVRRNAKLHDSX-LZWOXQAQSA-N	1	1	365.886	2.316	20	30		FEEDMO
N#CC1(c2ccccn2)CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1	ZINC000370532718	556901762	/nfs/dbraw/zinc/90/17/62/556901762.db2.gz	DHVATKFEKVMVOQ-UHFFFAOYSA-N	1	1	369.494	2.432	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000370550343	556906526	/nfs/dbraw/zinc/90/65/26/556906526.db2.gz	VLCOOAVRCBURSK-ZYSHUDEJSA-N	1	1	357.454	2.085	20	30		FEEDMO
C[C@H](NS(=O)(=O)c1ccc(C#N)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000370668173	556935621	/nfs/dbraw/zinc/93/56/21/556935621.db2.gz	UAVYQKYSVKFQPV-HOCLYGCPSA-N	1	1	359.451	2.340	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3ccc(C#N)nc3)[C@@H](C)C2)s1	ZINC000370962500	557028465	/nfs/dbraw/zinc/02/84/65/557028465.db2.gz	OOJYOIPZWKLUOC-SJCJKPOMSA-N	1	1	355.467	2.359	20	30		FEEDMO
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCC(=O)Nc1ccc(C#N)cc1	ZINC000371288876	557132973	/nfs/dbraw/zinc/13/29/73/557132973.db2.gz	GAZCETFJHJGKTE-QRVBRYPASA-N	1	1	356.470	2.070	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1	ZINC000371298314	557136582	/nfs/dbraw/zinc/13/65/82/557136582.db2.gz	UKILKKCTNPKDTN-WMZOPIPTSA-N	1	1	357.454	2.085	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1	ZINC000371298314	557136584	/nfs/dbraw/zinc/13/65/84/557136584.db2.gz	UKILKKCTNPKDTN-WMZOPIPTSA-N	1	1	357.454	2.085	20	30		FEEDMO
C[NH+](C)[C@H](C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)c1ccccc1	ZINC000371322442	557145882	/nfs/dbraw/zinc/14/58/82/557145882.db2.gz	FRJNAXVEZANHJN-XWFZLUIHSA-N	1	1	374.444	2.161	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1	ZINC000371334060	557149907	/nfs/dbraw/zinc/14/99/07/557149907.db2.gz	DDTKYPIETUWGSD-NJAFHUGGSA-N	1	1	373.501	2.039	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1	ZINC000371549591	557219236	/nfs/dbraw/zinc/21/92/36/557219236.db2.gz	XFLRVBFVJLTVMV-QGZVFWFLSA-N	1	1	365.481	2.346	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1	ZINC000371549591	557219240	/nfs/dbraw/zinc/21/92/40/557219240.db2.gz	XFLRVBFVJLTVMV-QGZVFWFLSA-N	1	1	365.481	2.346	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1	ZINC000371571997	557226221	/nfs/dbraw/zinc/22/62/21/557226221.db2.gz	VTFRYIWLSPQDQR-HNNXBMFYSA-N	1	1	372.494	2.328	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000371843062	557309645	/nfs/dbraw/zinc/30/96/45/557309645.db2.gz	QEAJOLMTPRYMFF-FUHWJXTLSA-N	1	1	357.502	2.325	20	30		FEEDMO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2c[nH]nc21	ZINC000372215689	557411516	/nfs/dbraw/zinc/41/15/16/557411516.db2.gz	HYBAIOIZWDUNOW-SFHVURJKSA-N	1	1	351.454	2.292	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1	ZINC000372341373	557444777	/nfs/dbraw/zinc/44/47/77/557444777.db2.gz	BITKPIWRBIMZTF-PKOBYXMFSA-N	1	1	356.470	2.373	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1	ZINC000372367765	557452387	/nfs/dbraw/zinc/45/23/87/557452387.db2.gz	RMGWNONUQCYLES-CJLVFECKSA-N	1	1	372.513	2.298	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)c2ccccc2OCC#N)[C@@H]1c1cccnc1	ZINC000372387411	557457018	/nfs/dbraw/zinc/45/70/18/557457018.db2.gz	PVCUSDXKTWQZOO-LPHOPBHVSA-N	1	1	350.422	2.407	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc(OC)c1O	ZINC000372434771	557469335	/nfs/dbraw/zinc/46/93/35/557469335.db2.gz	FDGSSKIWTDCMGI-GOSISDBHSA-N	1	1	374.481	2.343	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCCO3)CC2)cc(OC)c1O	ZINC000372434771	557469337	/nfs/dbraw/zinc/46/93/37/557469337.db2.gz	FDGSSKIWTDCMGI-GOSISDBHSA-N	1	1	374.481	2.343	20	30		FEEDMO
C=CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372598011	557516551	/nfs/dbraw/zinc/51/65/51/557516551.db2.gz	COLIAGQKCCMPGF-QGZVFWFLSA-N	1	1	369.425	2.080	20	30		FEEDMO
CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1	ZINC000372618883	557522745	/nfs/dbraw/zinc/52/27/45/557522745.db2.gz	LURQENULQFOVGK-MRXNPFEDSA-N	1	1	354.429	2.482	20	30		FEEDMO
CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1	ZINC000372618883	557522748	/nfs/dbraw/zinc/52/27/48/557522748.db2.gz	LURQENULQFOVGK-MRXNPFEDSA-N	1	1	354.429	2.482	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1	ZINC000519548963	562134368	/nfs/dbraw/zinc/13/43/68/562134368.db2.gz	RFJVBDXIGKYXEX-SFHVURJKSA-N	1	1	352.438	2.301	20	30		FEEDMO
CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(CC#N)cc1	ZINC000372670102	557533192	/nfs/dbraw/zinc/53/31/92/557533192.db2.gz	MFICPBNWTHAMEG-KRWDZBQOSA-N	1	1	365.437	2.141	20	30		FEEDMO
COC(=O)c1coc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000373053960	557618195	/nfs/dbraw/zinc/61/81/95/557618195.db2.gz	UUPOATZSUMSIJT-GUYCJALGSA-N	1	1	367.405	2.390	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1	ZINC000373805260	557762904	/nfs/dbraw/zinc/76/29/04/557762904.db2.gz	BZXYHVLUAMSCEP-AKCHCHLHSA-N	1	1	371.485	2.136	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1	ZINC000374306501	557862559	/nfs/dbraw/zinc/86/25/59/557862559.db2.gz	DWPVLIFMQUKDKD-NIKGAXFTSA-N	1	1	367.453	2.207	20	30		FEEDMO
CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000374333344	557867223	/nfs/dbraw/zinc/86/72/23/557867223.db2.gz	UOUFMUSSMUUXPQ-FPDPHYFHSA-N	1	1	366.465	2.121	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000374363480	557871869	/nfs/dbraw/zinc/87/18/69/557871869.db2.gz	SLWWZDBIMPGYMO-FOIQADDNSA-N	1	1	362.389	2.483	20	30		FEEDMO
N#C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000374363480	557871870	/nfs/dbraw/zinc/87/18/70/557871870.db2.gz	SLWWZDBIMPGYMO-FOIQADDNSA-N	1	1	362.389	2.483	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1	ZINC000374623462	557908408	/nfs/dbraw/zinc/90/84/08/557908408.db2.gz	WBSMQAOXYANSOD-OAHLLOKOSA-N	1	1	371.441	2.274	20	30		FEEDMO
Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc(F)c(C#N)c3)CCC[N@H+]2C)cn1	ZINC000375104892	557978556	/nfs/dbraw/zinc/97/85/56/557978556.db2.gz	JCLXTWKMYXHOOB-KDOFPFPSSA-N	1	1	355.417	2.244	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1)C1CC1	ZINC000375349603	558013686	/nfs/dbraw/zinc/01/36/86/558013686.db2.gz	OAACVDRLOAPESA-LJQANCHMSA-N	1	1	362.424	2.285	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1)C1CC1	ZINC000375349603	558013688	/nfs/dbraw/zinc/01/36/88/558013688.db2.gz	OAACVDRLOAPESA-LJQANCHMSA-N	1	1	362.424	2.285	20	30		FEEDMO
Cc1ncccc1O[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000375457482	558030669	/nfs/dbraw/zinc/03/06/69/558030669.db2.gz	JZJYHYUUPQCYNB-IEBWSBKVSA-N	1	1	353.422	2.155	20	30		FEEDMO
C=CCN(C(=O)c1ccoc1CC(N)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375640008	558061035	/nfs/dbraw/zinc/06/10/35/558061035.db2.gz	FDNMZKNAJBPUIM-QGZVFWFLSA-N	1	1	367.449	2.210	20	30		FEEDMO
Cn1cc(C[C@@H]2CC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1	ZINC000375819675	558084732	/nfs/dbraw/zinc/08/47/32/558084732.db2.gz	ZLKNMGDKUUKHOX-PXNSSMCTSA-N	1	1	363.465	2.352	20	30		FEEDMO
Cn1cc(C[C@H]2CC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1	ZINC000375819677	558084824	/nfs/dbraw/zinc/08/48/24/558084824.db2.gz	ZLKNMGDKUUKHOX-YLJYHZDGSA-N	1	1	363.465	2.352	20	30		FEEDMO
C#CCC(CC#C)C(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000376901373	558236379	/nfs/dbraw/zinc/23/63/79/558236379.db2.gz	DFAVYJMTIJAPQZ-NHCUHLMSSA-N	1	1	352.478	2.445	20	30		FEEDMO
C#CCC(CC#C)C(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000376901373	558236380	/nfs/dbraw/zinc/23/63/80/558236380.db2.gz	DFAVYJMTIJAPQZ-NHCUHLMSSA-N	1	1	352.478	2.445	20	30		FEEDMO
C#CCC(CC#C)C(=O)N(C)[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000376982284	558247676	/nfs/dbraw/zinc/24/76/76/558247676.db2.gz	ZJVGEVKSMXOCKG-NQIIRXRSSA-N	1	1	352.478	2.397	20	30		FEEDMO
C#CCC(CC#C)C(=O)N(C)[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000376982284	558247678	/nfs/dbraw/zinc/24/76/78/558247678.db2.gz	ZJVGEVKSMXOCKG-NQIIRXRSSA-N	1	1	352.478	2.397	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](O)Cc3ccccc3)CC2)cc1	ZINC000377074838	558260759	/nfs/dbraw/zinc/26/07/59/558260759.db2.gz	VKWWFYIKYSLURA-NRFANRHFSA-N	1	1	363.461	2.196	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](O)Cc3ccccc3)CC2)cc1	ZINC000377074838	558260763	/nfs/dbraw/zinc/26/07/63/558260763.db2.gz	VKWWFYIKYSLURA-NRFANRHFSA-N	1	1	363.461	2.196	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1	ZINC000377310601	558312149	/nfs/dbraw/zinc/31/21/49/558312149.db2.gz	LFYDFQAYJPILIK-SJLPKXTDSA-N	1	1	350.484	2.021	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CC(N)=O)C1	ZINC000377608982	558376324	/nfs/dbraw/zinc/37/63/24/558376324.db2.gz	WPTGOBITPGAUHU-KBPBESRZSA-N	1	1	360.483	2.217	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CC(N)=O)C1	ZINC000377608982	558376326	/nfs/dbraw/zinc/37/63/26/558376326.db2.gz	WPTGOBITPGAUHU-KBPBESRZSA-N	1	1	360.483	2.217	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)c1	ZINC000378339221	558533384	/nfs/dbraw/zinc/53/33/84/558533384.db2.gz	VWTMXFFHZYGOAS-KRWDZBQOSA-N	1	1	365.477	2.329	20	30		FEEDMO
C[N@@H+](C[C@@H]1CC12CCN(C(=O)C#Cc1ccc3c(c1)OCO3)CC2)C1CC1	ZINC000378352304	558536722	/nfs/dbraw/zinc/53/67/22/558536722.db2.gz	CUFUWDMFYWDNJS-KRWDZBQOSA-N	1	1	366.461	2.490	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1	ZINC000408135712	558650441	/nfs/dbraw/zinc/65/04/41/558650441.db2.gz	ZIMADOALLVCEAH-IRXDYDNUSA-N	1	1	360.502	2.052	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CN(c3c(C#N)cnc4c(Br)cccc43)C[C@H]21	ZINC000408424787	558675919	/nfs/dbraw/zinc/67/59/19/558675919.db2.gz	XRBIELYITRWIKT-CABCVRRESA-N	1	1	373.254	2.388	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1	ZINC000410162684	558743366	/nfs/dbraw/zinc/74/33/66/558743366.db2.gz	UFJCDNGJEIBILS-KRWDZBQOSA-N	1	1	364.515	2.063	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)C1=O	ZINC000410394522	558755115	/nfs/dbraw/zinc/75/51/15/558755115.db2.gz	YZJQMGBRSQWZRL-GOEBONIOSA-N	1	1	372.387	2.164	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](CC2CC2)CC1	ZINC000410714339	558802598	/nfs/dbraw/zinc/80/25/98/558802598.db2.gz	MBAPNIWJOLSDQR-UHFFFAOYSA-N	1	1	355.482	2.146	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1	ZINC000410838625	558815509	/nfs/dbraw/zinc/81/55/09/558815509.db2.gz	BKSJIXYSVINIHZ-MOPGFXCFSA-N	1	1	355.482	2.001	20	30		FEEDMO
C=CC[N@H+](CC1CCCCC1)[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1	ZINC000411264127	558863264	/nfs/dbraw/zinc/86/32/64/558863264.db2.gz	UVSFDNFTGJPTSE-WMZOPIPTSA-N	1	1	370.559	2.479	20	30		FEEDMO
C=CC[N@@H+](CC1CCCCC1)[C@@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1	ZINC000411264127	558863266	/nfs/dbraw/zinc/86/32/66/558863266.db2.gz	UVSFDNFTGJPTSE-WMZOPIPTSA-N	1	1	370.559	2.479	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O	ZINC000411646890	558935370	/nfs/dbraw/zinc/93/53/70/558935370.db2.gz	WOOOYNPDGGYZNQ-LJQANCHMSA-N	1	1	361.486	2.249	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCCCC(C)(C)C3)CC2)o1	ZINC000525838578	562256837	/nfs/dbraw/zinc/25/68/37/562256837.db2.gz	KLXLUFGXEBFCFD-UHFFFAOYSA-N	1	1	359.474	2.015	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)cc1	ZINC000411966538	558996584	/nfs/dbraw/zinc/99/65/84/558996584.db2.gz	LUQDMDVNIJIYNY-OAQYLSRUSA-N	1	1	362.433	2.016	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)cn1C	ZINC000412675619	559050077	/nfs/dbraw/zinc/05/00/77/559050077.db2.gz	QLWOKOHTUDZZAV-UYAOXDASSA-N	1	1	366.465	2.164	20	30		FEEDMO
Cc1cc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(C#N)cc1[N+](=O)[O-]	ZINC000413127150	559080813	/nfs/dbraw/zinc/08/08/13/559080813.db2.gz	AOYCQOXIDDRHDN-QGZVFWFLSA-N	1	1	357.458	2.381	20	30		FEEDMO
CC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000413263694	559093192	/nfs/dbraw/zinc/09/31/92/559093192.db2.gz	MSQHBGOWZWZDBG-HOTGVXAUSA-N	1	1	359.449	2.060	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CCSC[C@@H](C(=O)OC)C2)cc(OC)c1O	ZINC000414566217	559172284	/nfs/dbraw/zinc/17/22/84/559172284.db2.gz	HZFOGOACXRKUSZ-HNNXBMFYSA-N	1	1	351.468	2.467	20	30		FEEDMO
CCCc1c(NC(=O)NCC(F)(F)C[NH3+])cnn1-c1cccc(C#N)c1	ZINC000415563179	559249919	/nfs/dbraw/zinc/24/99/19/559249919.db2.gz	HFGKKMXCKOSIHJ-UHFFFAOYSA-N	1	1	362.384	2.412	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnn(C)c1C#N	ZINC000527251303	562282413	/nfs/dbraw/zinc/28/24/13/562282413.db2.gz	BUIGKOGWNVXGSX-INIZCTEOSA-N	1	1	367.453	2.124	20	30		FEEDMO
C[C@H](C#N)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000416444072	559313202	/nfs/dbraw/zinc/31/32/02/559313202.db2.gz	XEIYBQXVRQTHDF-IFUGULHKSA-N	1	1	359.854	2.303	20	30		FEEDMO
C[C@H](C#N)S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000416444072	559313203	/nfs/dbraw/zinc/31/32/03/559313203.db2.gz	XEIYBQXVRQTHDF-IFUGULHKSA-N	1	1	359.854	2.303	20	30		FEEDMO
C[C@H]1[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)CCC[N@@H+]1C	ZINC000416458250	559314402	/nfs/dbraw/zinc/31/44/02/559314402.db2.gz	QDBIUSQHBZVGLY-GXFFZTMASA-N	1	1	372.288	2.082	20	30		FEEDMO
C[C@H]1[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)CCC[N@H+]1C	ZINC000416458250	559314403	/nfs/dbraw/zinc/31/44/03/559314403.db2.gz	QDBIUSQHBZVGLY-GXFFZTMASA-N	1	1	372.288	2.082	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Br)ccc1C#N	ZINC000416481156	559316293	/nfs/dbraw/zinc/31/62/93/559316293.db2.gz	BGDOPPDATHXHKW-LLVKDONJSA-N	1	1	374.304	2.328	20	30		FEEDMO
N#Cc1ccc(CN2CCCN(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1	ZINC000418707338	559411846	/nfs/dbraw/zinc/41/18/46/559411846.db2.gz	BNWJLNYFHVJBBS-UXHICEINSA-N	1	1	369.513	2.293	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(Br)cc1C#N	ZINC000419347707	559438860	/nfs/dbraw/zinc/43/88/60/559438860.db2.gz	XGSJUWFTDKKELB-QWHCGFSZSA-N	1	1	352.276	2.208	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)C[C@H](C)[N@@H+]1CCO	ZINC000419621563	559450155	/nfs/dbraw/zinc/45/01/55/559450155.db2.gz	RVTFLABXZGYKGX-KHYOSLBOSA-N	1	1	356.470	2.032	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C[C@H](C)[N@@H+]1CCO	ZINC000419621566	559450201	/nfs/dbraw/zinc/45/02/01/559450201.db2.gz	RVTFLABXZGYKGX-ZRGWGRIASA-N	1	1	356.470	2.032	20	30		FEEDMO
C=CCC[C@@H]1NC(=O)N(C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OCC)C1=O	ZINC000420078805	559471485	/nfs/dbraw/zinc/47/14/85/559471485.db2.gz	DFOKASMRNRDKBW-GBESFXJTSA-N	1	1	371.481	2.410	20	30		FEEDMO
CNC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000420969900	559515605	/nfs/dbraw/zinc/51/56/05/559515605.db2.gz	FOVVBGBLWDEMRP-SJORKVTESA-N	1	1	356.470	2.007	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)C[C@H]1CCC[N@H+]1C	ZINC000420993747	559518232	/nfs/dbraw/zinc/51/82/32/559518232.db2.gz	BAJGJCJKGLHVDT-IAGOWNOFSA-N	1	1	358.486	2.356	20	30		FEEDMO
N#Cc1cc(C#N)c(SCc2ccc(C[NH+]3CCOCC3)cc2)nc1N	ZINC000421183633	559529545	/nfs/dbraw/zinc/52/95/45/559529545.db2.gz	OIZDKOBVZSMMJE-UHFFFAOYSA-N	1	1	365.462	2.532	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000422352209	559580717	/nfs/dbraw/zinc/58/07/17/559580717.db2.gz	MMWMSTKMCVVDGM-UMQXSMKFSA-N	1	1	369.509	2.422	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1	ZINC000422533404	559593446	/nfs/dbraw/zinc/59/34/46/559593446.db2.gz	XCIKRXXOLZZZRS-RTBURBONSA-N	1	1	357.498	2.090	20	30		FEEDMO
COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)CCN2C2CC2)c1	ZINC000424177939	559656726	/nfs/dbraw/zinc/65/67/26/559656726.db2.gz	VNHYXVXBFZTGNS-CEXWTWQISA-N	1	1	356.470	2.110	20	30		FEEDMO
N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1	ZINC000424192377	559657274	/nfs/dbraw/zinc/65/72/74/559657274.db2.gz	SCTWTEZVRWUQRX-CHWSQXEVSA-N	1	1	366.347	2.050	20	30		FEEDMO
COCC(C)(C)[NH+]1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000424991535	559682588	/nfs/dbraw/zinc/68/25/88/559682588.db2.gz	OJAMXHAUNSAHCD-UHFFFAOYSA-N	1	1	359.470	2.285	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000425386693	559699388	/nfs/dbraw/zinc/69/93/88/559699388.db2.gz	POYVCMCKIOUUPY-SJLPKXTDSA-N	1	1	370.497	2.268	20	30		FEEDMO
C[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1)C(=O)N1CCCCC1	ZINC000425529175	559707852	/nfs/dbraw/zinc/70/78/52/559707852.db2.gz	AUGWEBUWIFDMOW-HZPDHXFCSA-N	1	1	356.470	2.068	20	30		FEEDMO
C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)C(=O)N1CCCCC1	ZINC000425529175	559707853	/nfs/dbraw/zinc/70/78/53/559707853.db2.gz	AUGWEBUWIFDMOW-HZPDHXFCSA-N	1	1	356.470	2.068	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000425529359	559708027	/nfs/dbraw/zinc/70/80/27/559708027.db2.gz	BHEMHUKHUMNHBK-YLJYHZDGSA-N	1	1	367.497	2.243	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)CC1	ZINC000425529359	559708028	/nfs/dbraw/zinc/70/80/28/559708028.db2.gz	BHEMHUKHUMNHBK-YLJYHZDGSA-N	1	1	367.497	2.243	20	30		FEEDMO
CC[N@H+](CCNC(=O)C(=O)Nc1cccc(C#N)c1C)CCC(F)(F)F	ZINC000426463965	559734968	/nfs/dbraw/zinc/73/49/68/559734968.db2.gz	ZNVSEPWXUNZWEG-UHFFFAOYSA-N	1	1	370.375	2.196	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1cccc(C#N)c1C)CCC(F)(F)F	ZINC000426463965	559734969	/nfs/dbraw/zinc/73/49/69/559734969.db2.gz	ZNVSEPWXUNZWEG-UHFFFAOYSA-N	1	1	370.375	2.196	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2ncc(C#N)cc2Cl)C[C@H](C)O1	ZINC000427926361	559765409	/nfs/dbraw/zinc/76/54/09/559765409.db2.gz	XBOOZMZUOJLPHI-VNHYZAJKSA-N	1	1	362.861	2.320	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2ncc(C#N)cc2Cl)C[C@H](C)O1	ZINC000427926361	559765410	/nfs/dbraw/zinc/76/54/10/559765410.db2.gz	XBOOZMZUOJLPHI-VNHYZAJKSA-N	1	1	362.861	2.320	20	30		FEEDMO
COC(=O)[C@@]1(c2ccccc2)CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1	ZINC000428772342	559782818	/nfs/dbraw/zinc/78/28/18/559782818.db2.gz	LQTPQKMUTUDTJA-NRFANRHFSA-N	1	1	363.417	2.313	20	30		FEEDMO
COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1	ZINC000428772342	559782819	/nfs/dbraw/zinc/78/28/19/559782819.db2.gz	LQTPQKMUTUDTJA-NRFANRHFSA-N	1	1	363.417	2.313	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C)C(C)(C)COC	ZINC000429244094	559793733	/nfs/dbraw/zinc/79/37/33/559793733.db2.gz	IYIKZSWOWAHYFC-UHFFFAOYSA-N	1	1	364.490	2.308	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1	ZINC000430310090	559817531	/nfs/dbraw/zinc/81/75/31/559817531.db2.gz	YHFQVRPBBJHKCX-LZJOCLMNSA-N	1	1	370.497	2.414	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC1(CC#N)CC1	ZINC000430848538	559829099	/nfs/dbraw/zinc/82/90/99/559829099.db2.gz	BGLPQAFOZSXONH-QGZVFWFLSA-N	1	1	355.486	2.190	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000431862415	559847500	/nfs/dbraw/zinc/84/75/00/559847500.db2.gz	AHYANXHGFKMTNW-SFHVURJKSA-N	1	1	362.433	2.196	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1	ZINC000434554220	559902406	/nfs/dbraw/zinc/90/24/06/559902406.db2.gz	BOPADYYQHNDNRV-QGZVFWFLSA-N	1	1	357.454	2.323	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C[C@@H]1C	ZINC000434807342	559909885	/nfs/dbraw/zinc/90/98/85/559909885.db2.gz	DZIFKJAUADNXRI-HOCLYGCPSA-N	1	1	373.501	2.384	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)[NH+]1CCOCC1	ZINC000435041629	559914792	/nfs/dbraw/zinc/91/47/92/559914792.db2.gz	QOPBBYBPWXSMOM-LJQANCHMSA-N	1	1	355.482	2.453	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)c1ccc(C#N)c(O)c1	ZINC000442979910	560064934	/nfs/dbraw/zinc/06/49/34/560064934.db2.gz	VAQHTPLEKPILCK-HKUYNNGSSA-N	1	1	350.422	2.424	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000443357940	560081801	/nfs/dbraw/zinc/08/18/01/560081801.db2.gz	FOBMNRIMZAKIFE-MJBXVCDLSA-N	1	1	353.463	2.342	20	30		FEEDMO
CCO[C@@H]1C[C@](CO)([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C1(C)C	ZINC000444806252	560121452	/nfs/dbraw/zinc/12/14/52/560121452.db2.gz	WSBPBVJKGSORTM-DNVCBOLYSA-N	1	1	356.426	2.264	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000448321749	560184156	/nfs/dbraw/zinc/18/41/56/560184156.db2.gz	NPRAMKLOMLNOCF-HNNXBMFYSA-N	1	1	362.861	2.387	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000448677213	560193648	/nfs/dbraw/zinc/19/36/48/560193648.db2.gz	LJHNWVKOMHKDEI-FQEVSTJZSA-N	1	1	365.481	2.005	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000448677213	560193649	/nfs/dbraw/zinc/19/36/49/560193649.db2.gz	LJHNWVKOMHKDEI-FQEVSTJZSA-N	1	1	365.481	2.005	20	30		FEEDMO
Cn1c(C#N)ccc1C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1	ZINC000448677213	560193650	/nfs/dbraw/zinc/19/36/50/560193650.db2.gz	LJHNWVKOMHKDEI-FQEVSTJZSA-N	1	1	365.481	2.005	20	30		FEEDMO
CC[N@@H+](CCNC(=O)COc1cccc(Br)c1C#N)C1CC1	ZINC000449838849	560241952	/nfs/dbraw/zinc/24/19/52/560241952.db2.gz	JDUPRBXODPEHEG-UHFFFAOYSA-N	1	1	366.259	2.300	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(c3nccc(-c4cnccn4)n3)CC2)cc1	ZINC000450221644	560254528	/nfs/dbraw/zinc/25/45/28/560254528.db2.gz	UWTOHUJOCXXIRW-UHFFFAOYSA-N	1	1	357.421	2.127	20	30		FEEDMO
N#CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)c1	ZINC000451052897	560284762	/nfs/dbraw/zinc/28/47/62/560284762.db2.gz	FZOWOMWWGPSLBJ-GJZGRUSLSA-N	1	1	353.875	2.311	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)CC1	ZINC000451170155	560291147	/nfs/dbraw/zinc/29/11/47/560291147.db2.gz	IUDFSDPGVJWKSL-UHFFFAOYSA-N	1	1	365.499	2.210	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1	ZINC000451269012	560297264	/nfs/dbraw/zinc/29/72/64/560297264.db2.gz	SJMCHFRQDJDTQC-GIVPXCGWSA-N	1	1	370.424	2.098	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1	ZINC000451269012	560297265	/nfs/dbraw/zinc/29/72/65/560297265.db2.gz	SJMCHFRQDJDTQC-GIVPXCGWSA-N	1	1	370.424	2.098	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000451549121	560313939	/nfs/dbraw/zinc/31/39/39/560313939.db2.gz	OZJSKIIDYMXCJW-QGZVFWFLSA-N	1	1	369.425	2.430	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000451549121	560313940	/nfs/dbraw/zinc/31/39/40/560313940.db2.gz	OZJSKIIDYMXCJW-QGZVFWFLSA-N	1	1	369.425	2.430	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1	ZINC000451605460	560317084	/nfs/dbraw/zinc/31/70/84/560317084.db2.gz	KLHGXDNFWCMDPH-OLZOCXBDSA-N	1	1	361.398	2.196	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H]1CS(C)(=O)=O	ZINC000451662637	560320608	/nfs/dbraw/zinc/32/06/08/560320608.db2.gz	VYFAEIZRZSAVTG-ZWKOTPCHSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1CS(C)(=O)=O	ZINC000451662637	560320609	/nfs/dbraw/zinc/32/06/09/560320609.db2.gz	VYFAEIZRZSAVTG-ZWKOTPCHSA-N	1	1	367.511	2.054	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)COc2cccc(Br)c2C#N)[C@@H](C)C1	ZINC000451675420	560321341	/nfs/dbraw/zinc/32/13/41/560321341.db2.gz	AAYWEMJBFCUNLR-LBPRGKRZSA-N	1	1	366.259	2.252	20	30		FEEDMO
C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000451880588	560333932	/nfs/dbraw/zinc/33/39/32/560333932.db2.gz	WZPXEQDVXIVICT-GOEBONIOSA-N	1	1	371.403	2.114	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)c1ccccc1	ZINC000451881633	560334307	/nfs/dbraw/zinc/33/43/07/560334307.db2.gz	BDZJBQOVKZVSBJ-XJKSGUPXSA-N	1	1	355.360	2.178	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)c1ccccc1	ZINC000451881633	560334308	/nfs/dbraw/zinc/33/43/08/560334308.db2.gz	BDZJBQOVKZVSBJ-XJKSGUPXSA-N	1	1	355.360	2.178	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+](Cc2ccccc2)C1	ZINC000451923347	560337646	/nfs/dbraw/zinc/33/76/46/560337646.db2.gz	HFUUPCUWXBVAOX-OAHLLOKOSA-N	1	1	359.451	2.294	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+](Cc2ccccc2)C1	ZINC000451923347	560337647	/nfs/dbraw/zinc/33/76/47/560337647.db2.gz	HFUUPCUWXBVAOX-OAHLLOKOSA-N	1	1	359.451	2.294	20	30		FEEDMO
N#CC(CC[N@H+]1CCOC[C@@H]1CC(N)=O)(c1ccccc1)c1ccccc1	ZINC000452080925	560349929	/nfs/dbraw/zinc/34/99/29/560349929.db2.gz	HTXCFNULQGXSJX-FQEVSTJZSA-N	1	1	363.461	2.463	20	30		FEEDMO
N#CC(CC[N@@H+]1CCOC[C@@H]1CC(N)=O)(c1ccccc1)c1ccccc1	ZINC000452080925	560349930	/nfs/dbraw/zinc/34/99/30/560349930.db2.gz	HTXCFNULQGXSJX-FQEVSTJZSA-N	1	1	363.461	2.463	20	30		FEEDMO
C=CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CCOC(C)C)CC1	ZINC000453444490	560386814	/nfs/dbraw/zinc/38/68/14/560386814.db2.gz	SDDYDMAJNVKQFN-QGZVFWFLSA-N	1	1	363.506	2.253	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C(=O)Nc1cccc(CC#N)c1)Cc1ccccc1	ZINC000453585635	560389883	/nfs/dbraw/zinc/38/98/83/560389883.db2.gz	QGRGLCFVMZJHEI-UHFFFAOYSA-N	1	1	364.449	2.329	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)[N@@H+](C)Cc1ccccc1	ZINC000453672239	560395501	/nfs/dbraw/zinc/39/55/01/560395501.db2.gz	LKOKGCJELHEKQG-INIZCTEOSA-N	1	1	364.449	2.328	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000453674459	560395715	/nfs/dbraw/zinc/39/57/15/560395715.db2.gz	RGLQQGWICVTMLM-QFBILLFUSA-N	1	1	366.465	2.281	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(CC#N)c2)[C@H]1c1ccccc1	ZINC000453686230	560396609	/nfs/dbraw/zinc/39/66/09/560396609.db2.gz	DNEKUUKQKZYBLM-RBUKOAKNSA-N	1	1	362.433	2.253	20	30		FEEDMO
C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CCC[N@H+]1C	ZINC000453698904	560397657	/nfs/dbraw/zinc/39/76/57/560397657.db2.gz	JRKUPMYIXWUQHO-XJKSGUPXSA-N	1	1	372.469	2.273	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453706835	560398377	/nfs/dbraw/zinc/39/83/77/560398377.db2.gz	GHSHYDGFBHGVAX-TZMCWYRMSA-N	1	1	360.845	2.040	20	30		FEEDMO
CC(C)(C)Oc1ccc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)cc1C#N	ZINC000453733855	560400328	/nfs/dbraw/zinc/40/03/28/560400328.db2.gz	UZFRIYBXTVBXCB-UHFFFAOYSA-N	1	1	370.453	2.052	20	30		FEEDMO
CC(C)(C)Oc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)cc1C#N	ZINC000453733855	560400329	/nfs/dbraw/zinc/40/03/29/560400329.db2.gz	UZFRIYBXTVBXCB-UHFFFAOYSA-N	1	1	370.453	2.052	20	30		FEEDMO
CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000453980385	560418878	/nfs/dbraw/zinc/41/88/78/560418878.db2.gz	RGFAIVKXBKKBKK-QGZVFWFLSA-N	1	1	372.469	2.227	20	30		FEEDMO
CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(OC(C)C)c(C#N)c1	ZINC000453980385	560418879	/nfs/dbraw/zinc/41/88/79/560418879.db2.gz	RGFAIVKXBKKBKK-QGZVFWFLSA-N	1	1	372.469	2.227	20	30		FEEDMO
C=CCC1(CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCC1	ZINC000454439373	560444547	/nfs/dbraw/zinc/44/45/47/560444547.db2.gz	OYXOISDYXLFOEM-MRXNPFEDSA-N	1	1	350.507	2.010	20	30		FEEDMO
N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1	ZINC000454711104	560455234	/nfs/dbraw/zinc/45/52/34/560455234.db2.gz	JBRGFXCWWXTJLW-CYBMUJFWSA-N	1	1	368.384	2.128	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)Nc2ccc(C)cc2S(C)(=O)=O)CC1	ZINC000455937034	560501009	/nfs/dbraw/zinc/50/10/09/560501009.db2.gz	QQIMBBDXBXNBRF-UHFFFAOYSA-N	1	1	351.472	2.170	20	30		FEEDMO
CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000456393314	560518941	/nfs/dbraw/zinc/51/89/41/560518941.db2.gz	XVVUIMJQICMJMD-MOPGFXCFSA-N	1	1	369.513	2.421	20	30		FEEDMO
C=CCC[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)C(=O)OCC	ZINC000456600939	560525548	/nfs/dbraw/zinc/52/55/48/560525548.db2.gz	FONJUFOPLDPRPC-MOPGFXCFSA-N	1	1	374.481	2.199	20	30		FEEDMO
CC1(C)CCC[N@H+]1CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000457056421	560546202	/nfs/dbraw/zinc/54/62/02/560546202.db2.gz	NWDUDRFTAZTODD-GOSISDBHSA-N	1	1	368.481	2.040	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C[N@H+](CC)CCC)cc2C1=O	ZINC000461651415	560778894	/nfs/dbraw/zinc/77/88/94/560778894.db2.gz	WZOHMYLGYFCNGW-AWEZNQCLSA-N	1	1	357.454	2.319	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@@H]1CCC[C@H]1C#N)CC2	ZINC000461945445	560789028	/nfs/dbraw/zinc/78/90/28/560789028.db2.gz	CNYFOADWKRCWLW-DOTOQJQBSA-N	1	1	372.469	2.053	20	30		FEEDMO
COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@@H]1CCC[C@H]1C#N)CC2	ZINC000461945445	560789030	/nfs/dbraw/zinc/78/90/30/560789030.db2.gz	CNYFOADWKRCWLW-DOTOQJQBSA-N	1	1	372.469	2.053	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@H]3C#N)C2)cc(OC)c1	ZINC000461945058	560789083	/nfs/dbraw/zinc/78/90/83/560789083.db2.gz	BUVTUSNVXXORTA-BXWFABGCSA-N	1	1	372.469	2.270	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@H]3C#N)C2)cc(OC)c1	ZINC000461945058	560789084	/nfs/dbraw/zinc/78/90/84/560789084.db2.gz	BUVTUSNVXXORTA-BXWFABGCSA-N	1	1	372.469	2.270	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](n3cccn3)C2)cc1	ZINC000463444013	560814958	/nfs/dbraw/zinc/81/49/58/560814958.db2.gz	ZGCQODFLSVQNSI-GOSISDBHSA-N	1	1	367.453	2.475	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](n3cccn3)C2)cc1	ZINC000463444013	560814960	/nfs/dbraw/zinc/81/49/60/560814960.db2.gz	ZGCQODFLSVQNSI-GOSISDBHSA-N	1	1	367.453	2.475	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2OC)C[C@@H]1C	ZINC000464420364	560841350	/nfs/dbraw/zinc/84/13/50/560841350.db2.gz	PTEPWNAPEQHZRI-DZGCQCFKSA-N	1	1	351.472	2.060	20	30		FEEDMO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000467098788	560903570	/nfs/dbraw/zinc/90/35/70/560903570.db2.gz	AQXQYSPKDNVFMA-QGZVFWFLSA-N	1	1	351.454	2.292	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(c2cc(OC)cc(OC)c2)CC1	ZINC000468142836	560923537	/nfs/dbraw/zinc/92/35/37/560923537.db2.gz	ABXBXPNIZLYZEQ-UHFFFAOYSA-N	1	1	373.497	2.417	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H]1C	ZINC000469998848	560971341	/nfs/dbraw/zinc/97/13/41/560971341.db2.gz	HVHJGAIMBUUTPC-NEPJUHHUSA-N	1	1	361.467	2.320	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)c(OC)c1	ZINC000470003327	560971682	/nfs/dbraw/zinc/97/16/82/560971682.db2.gz	QDWLDBROGJTMDG-USXIJHARSA-N	1	1	363.454	2.047	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)c1	ZINC000471052895	560997105	/nfs/dbraw/zinc/99/71/05/560997105.db2.gz	KYBVEBKAUKVITO-IBGZPJMESA-N	1	1	359.433	2.293	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000473506722	561051566	/nfs/dbraw/zinc/05/15/66/561051566.db2.gz	NOXOYDFCBBZBOG-MOPGFXCFSA-N	1	1	369.513	2.421	20	30		FEEDMO
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C[C@H](CC#N)c1ccccc1	ZINC000475530826	561099490	/nfs/dbraw/zinc/09/94/90/561099490.db2.gz	OTSRPZPVPVBNHD-OALUTQOASA-N	1	1	370.497	2.133	20	30		FEEDMO
CC[N@H+](CC(N)=O)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1	ZINC000475539498	561099623	/nfs/dbraw/zinc/09/96/23/561099623.db2.gz	VXHABWWVBAZNES-UHFFFAOYSA-N	1	1	353.422	2.453	20	30		FEEDMO
CC[N@@H+](CC(N)=O)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1	ZINC000475539498	561099624	/nfs/dbraw/zinc/09/96/24/561099624.db2.gz	VXHABWWVBAZNES-UHFFFAOYSA-N	1	1	353.422	2.453	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cnn(C)c3C#N)cc2)C1	ZINC000476125599	561111589	/nfs/dbraw/zinc/11/15/89/561111589.db2.gz	ALTQZEARWHDVKQ-AWEZNQCLSA-N	1	1	353.426	2.265	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)C2)nc1	ZINC000528294609	562321438	/nfs/dbraw/zinc/32/14/38/562321438.db2.gz	LLSBXIWRADXJOA-ROUUACIJSA-N	1	1	369.469	2.133	20	30		FEEDMO
CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C[C@@H](O)COc1ccccc1C#N	ZINC000530233564	562403283	/nfs/dbraw/zinc/40/32/83/562403283.db2.gz	WZUUFPFTHXZKIZ-HZPDHXFCSA-N	1	1	355.442	2.138	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1	ZINC000531044475	562432653	/nfs/dbraw/zinc/43/26/53/562432653.db2.gz	NCVGWPGHHKKQLT-HUUCEWRRSA-N	1	1	374.510	2.477	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+](CC(C)(C)O)C1CCOCC1	ZINC000531415926	562445127	/nfs/dbraw/zinc/44/51/27/562445127.db2.gz	FODQWXXDNCUYHA-IBGZPJMESA-N	1	1	363.498	2.407	20	30		FEEDMO
CN(C)c1nc(N2CCN(c3cc(C#N)c4ccccc4n3)CC2)cc[nH+]1	ZINC000531485505	562447538	/nfs/dbraw/zinc/44/75/38/562447538.db2.gz	LBCVSCMBEPUGAH-UHFFFAOYSA-N	1	1	359.437	2.289	20	30		FEEDMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3(C#N)CC(C)C3)cc2)CC1	ZINC000531824053	562457883	/nfs/dbraw/zinc/45/78/83/562457883.db2.gz	BULNQXWYVYCNLA-UHFFFAOYSA-N	1	1	368.481	2.272	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1	ZINC000532378841	562475815	/nfs/dbraw/zinc/47/58/15/562475815.db2.gz	GZMDFXCSXZAAJT-BEFAXECRSA-N	1	1	351.491	2.485	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1	ZINC000532378841	562475816	/nfs/dbraw/zinc/47/58/16/562475816.db2.gz	GZMDFXCSXZAAJT-BEFAXECRSA-N	1	1	351.491	2.485	20	30		FEEDMO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCOCC1	ZINC000533308579	562504700	/nfs/dbraw/zinc/50/47/00/562504700.db2.gz	DBNVGSZSTMRRND-UHFFFAOYSA-N	1	1	354.372	2.284	20	30		FEEDMO
C=CC1CC[NH+]([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1	ZINC000533424483	562508345	/nfs/dbraw/zinc/50/83/45/562508345.db2.gz	VOVNVMDKOPZBFP-CYBMUJFWSA-N	1	1	374.437	2.485	20	30		FEEDMO
Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)c(C)s1	ZINC000533446373	562509244	/nfs/dbraw/zinc/50/92/44/562509244.db2.gz	ZHOZEQTUXMZLQN-UHFFFAOYSA-N	1	1	367.471	2.444	20	30		FEEDMO
COC(=O)c1cccc(C[N@H+](C)CC(C)(C)CN2CCOCC2)c1C#N	ZINC000533761494	562517691	/nfs/dbraw/zinc/51/76/91/562517691.db2.gz	KPEPWORJVZHAGN-UHFFFAOYSA-N	1	1	359.470	2.135	20	30		FEEDMO
COC(=O)c1cccc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)c1C#N	ZINC000533761494	562517692	/nfs/dbraw/zinc/51/76/92/562517692.db2.gz	KPEPWORJVZHAGN-UHFFFAOYSA-N	1	1	359.470	2.135	20	30		FEEDMO
CCC(CC)[C@@H](CNC(=O)N1CCC(CC#N)CC1)[NH+]1CCOCC1	ZINC000540992383	562599706	/nfs/dbraw/zinc/59/97/06/562599706.db2.gz	WFQCWYKRMHQYQG-GOSISDBHSA-N	1	1	350.507	2.459	20	30		FEEDMO
CC(=O)NC1CCC([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000541316723	562608994	/nfs/dbraw/zinc/60/89/94/562608994.db2.gz	CNHJLDMWRVQZSV-UHFFFAOYSA-N	1	1	356.470	2.312	20	30		FEEDMO
Cc1[nH+]c2cc3c(cc2n1C[C@@H](O)CC1(C#N)CCOCC1)OCCO3	ZINC000601953356	567884463	/nfs/dbraw/zinc/88/44/63/567884463.db2.gz	FLHFSCWEBYFYKI-AWEZNQCLSA-N	1	1	357.410	2.187	20	30		FEEDMO
N#CCCN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1	ZINC000602210232	567952949	/nfs/dbraw/zinc/95/29/49/567952949.db2.gz	NEOBWIYGSJYSFU-GOSISDBHSA-N	1	1	358.461	2.096	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@@H+](C[C@H](C)CCC#N)CC2)cc1	ZINC000602484833	567985272	/nfs/dbraw/zinc/98/52/72/567985272.db2.gz	IWJQRBBUDJVXAW-MRXNPFEDSA-N	1	1	365.499	2.331	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc3ccccc32)C[C@H](C)N1CC#N	ZINC000602857364	568002733	/nfs/dbraw/zinc/00/27/33/568002733.db2.gz	RASXMRUVFZKMCE-ZIFCJYIRSA-N	1	1	353.466	2.498	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2Cl)C[C@H](C)N1CC#N	ZINC000602858178	568002881	/nfs/dbraw/zinc/00/28/81/568002881.db2.gz	ZVDSSMHJDPZLQS-HLLBOEOZSA-N	1	1	351.878	2.136	20	30		FEEDMO
COc1ccc(CN(C(=O)C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)C2CC2)cc1	ZINC000602857931	568002901	/nfs/dbraw/zinc/00/29/01/568002901.db2.gz	XBRZXINOXJDVNT-IRXDYDNUSA-N	1	1	370.497	2.104	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1	ZINC000602889951	568007014	/nfs/dbraw/zinc/00/70/14/568007014.db2.gz	XNTWJWDOSLSCKV-KRWDZBQOSA-N	1	1	362.437	2.075	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1	ZINC000602889951	568007015	/nfs/dbraw/zinc/00/70/15/568007015.db2.gz	XNTWJWDOSLSCKV-KRWDZBQOSA-N	1	1	362.437	2.075	20	30		FEEDMO
COc1ccc(C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@@H](C)CCCO)cc1	ZINC000602966658	568024804	/nfs/dbraw/zinc/02/48/04/568024804.db2.gz	NBZLQYVACMDQHL-INIZCTEOSA-N	1	1	359.470	2.221	20	30		FEEDMO
Cn1cc([C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)CC2(C)C)cn1	ZINC000568468359	568041510	/nfs/dbraw/zinc/04/15/10/568041510.db2.gz	VYEUQALHOKRWCE-HKUYNNGSSA-N	1	1	354.454	2.157	20	30		FEEDMO
N#CCCN1CCN(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1	ZINC000602814362	568043074	/nfs/dbraw/zinc/04/30/74/568043074.db2.gz	DLZPZRWJGFZFHR-UHFFFAOYSA-N	1	1	373.526	2.299	20	30		FEEDMO
O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1C[C@H]2CC[C@@H](C1)O2	ZINC000330275407	568083045	/nfs/dbraw/zinc/08/30/45/568083045.db2.gz	LLRMJFKJVZIBGW-CEXWTWQISA-N	1	1	359.470	2.055	20	30		FEEDMO
CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000569325286	568383351	/nfs/dbraw/zinc/38/33/51/568383351.db2.gz	JFRIDBBPRRWJTJ-TUKIKUTGSA-N	1	1	363.483	2.219	20	30		FEEDMO
C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000570231498	568463856	/nfs/dbraw/zinc/46/38/56/568463856.db2.gz	HMGYDLSSEPPWES-HPFXQQBRSA-N	1	1	356.470	2.299	20	30		FEEDMO
C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000570231498	568463858	/nfs/dbraw/zinc/46/38/58/568463858.db2.gz	HMGYDLSSEPPWES-HPFXQQBRSA-N	1	1	356.470	2.299	20	30		FEEDMO
N#Cc1cc(F)ccc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000822823650	599466305	/nfs/dbraw/zinc/46/63/05/599466305.db2.gz	WOURYBJFVKYJEA-UHFFFAOYSA-N	1	1	363.400	2.200	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccc(C#N)o1)C1CC1	ZINC000557836638	674469665	/nfs/dbraw/zinc/46/96/65/674469665.db2.gz	SUJQSGBRICFTOM-QGZVFWFLSA-N	1	1	359.451	2.340	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000736763360	600566238	/nfs/dbraw/zinc/56/62/38/600566238.db2.gz	WYDAACZCILKAAQ-QKLQHJQFSA-N	1	1	370.497	2.174	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000736763360	600566240	/nfs/dbraw/zinc/56/62/40/600566240.db2.gz	WYDAACZCILKAAQ-QKLQHJQFSA-N	1	1	370.497	2.174	20	30		FEEDMO
CC[NH+]1CCN(c2ccc(C(=O)N[C@](C)(C#N)CSC)cc2F)CC1	ZINC000558247308	674489552	/nfs/dbraw/zinc/48/95/52/674489552.db2.gz	SQFKMQFPGZFVHN-GOSISDBHSA-N	1	1	364.490	2.343	20	30		FEEDMO
C=CC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C1CC1	ZINC000823904018	608267121	/nfs/dbraw/zinc/26/71/21/608267121.db2.gz	RJGRLQLWTBWHRX-UHFFFAOYSA-N	1	1	358.471	2.396	20	30		FEEDMO
CC(=NNCCC[NH+]1CCOCC1)[C@@H]1CCCN1C(=O)OC(C)(C)C	ZINC000814923665	674889016	/nfs/dbraw/zinc/88/90/16/674889016.db2.gz	MLLDMNGGVYHSHX-INIZCTEOSA-N	1	1	354.495	2.074	20	30		FEEDMO
C#CC[N@H+](C)CCCNS(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000815082971	674913947	/nfs/dbraw/zinc/91/39/47/674913947.db2.gz	JTBSABKDCXVHQM-UHFFFAOYSA-N	1	1	359.495	2.139	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)/C=C/c1ccccc1Br	ZINC000815082962	674914015	/nfs/dbraw/zinc/91/40/15/674914015.db2.gz	JPMMDRAGEZYECW-UKTHLTGXSA-N	1	1	371.300	2.294	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)O	ZINC001048570236	675010696	/nfs/dbraw/zinc/01/06/96/675010696.db2.gz	IDWIVIFMOKSALQ-XEZGLNCPSA-N	1	1	350.503	2.098	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3c(C)nsc3C)C[C@@H]2C1	ZINC001049069739	675022366	/nfs/dbraw/zinc/02/23/66/675022366.db2.gz	OOFUCKSHTJVOKY-HPFXQQBRSA-N	1	1	361.511	2.241	20	30		FEEDMO
C=CCn1c(SC[C@H](O)C[N@H+](C)C(C)C)nc2sccc2c1=O	ZINC000565725758	675147015	/nfs/dbraw/zinc/14/70/15/675147015.db2.gz	KOMXXYKPUHTRJT-GFCCVEGCSA-N	1	1	353.513	2.437	20	30		FEEDMO
C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c2ccccc2O1	ZINC000572475971	671006218	/nfs/dbraw/zinc/00/62/18/671006218.db2.gz	BEJYSOWQXIQXBR-CZUORRHYSA-N	1	1	357.435	2.229	20	30		FEEDMO
C=CCOCC[N@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1	ZINC000575818731	671323398	/nfs/dbraw/zinc/32/33/98/671323398.db2.gz	XWOPKGSAXKXVMO-QGZVFWFLSA-N	1	1	350.484	2.046	20	30		FEEDMO
CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1	ZINC000576097752	671343770	/nfs/dbraw/zinc/34/37/70/671343770.db2.gz	SAGPJQGPAADYTC-UHFFFAOYSA-N	1	1	350.850	2.491	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)o1	ZINC000576969776	671408070	/nfs/dbraw/zinc/40/80/70/671408070.db2.gz	RVNPUZDYSRLPEO-OAHLLOKOSA-N	1	1	351.472	2.474	20	30		FEEDMO
CNC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000609040594	675909221	/nfs/dbraw/zinc/90/92/21/675909221.db2.gz	BSENXXPARWQWKY-GFCCVEGCSA-N	1	1	362.499	2.284	20	30		FEEDMO
CNC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000609040594	675909223	/nfs/dbraw/zinc/90/92/23/675909223.db2.gz	BSENXXPARWQWKY-GFCCVEGCSA-N	1	1	362.499	2.284	20	30		FEEDMO
C[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCc2ccccc2C1	ZINC000579520906	671741804	/nfs/dbraw/zinc/74/18/04/671741804.db2.gz	OQFNBSYQFLOLNA-SFHVURJKSA-N	1	1	355.463	2.216	20	30		FEEDMO
C[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1CCc2ccccc2C1	ZINC000579520906	671741806	/nfs/dbraw/zinc/74/18/06/671741806.db2.gz	OQFNBSYQFLOLNA-SFHVURJKSA-N	1	1	355.463	2.216	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c(C(F)(F)F)c1	ZINC000579656188	671750843	/nfs/dbraw/zinc/75/08/43/671750843.db2.gz	DEEXFKXKSASQCW-LBPRGKRZSA-N	1	1	361.389	2.078	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c(C(F)(F)F)c1	ZINC000579656188	671750845	/nfs/dbraw/zinc/75/08/45/671750845.db2.gz	DEEXFKXKSASQCW-LBPRGKRZSA-N	1	1	361.389	2.078	20	30		FEEDMO
C[N@H+]1C[C@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)[C@@H]2C1	ZINC000590010708	672554740	/nfs/dbraw/zinc/55/47/40/672554740.db2.gz	BYSIAHYLNUKLTM-CZUORRHYSA-N	1	1	358.511	2.463	20	30		FEEDMO
CN1C[C@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)[C@@H]2C1	ZINC000590010708	672554744	/nfs/dbraw/zinc/55/47/44/672554744.db2.gz	BYSIAHYLNUKLTM-CZUORRHYSA-N	1	1	358.511	2.463	20	30		FEEDMO
CN1C[C@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)[C@@H]2C1	ZINC000590010708	672554746	/nfs/dbraw/zinc/55/47/46/672554746.db2.gz	BYSIAHYLNUKLTM-CZUORRHYSA-N	1	1	358.511	2.463	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1	ZINC000590226856	672566545	/nfs/dbraw/zinc/56/65/45/672566545.db2.gz	VVPGMBKBDPBIDP-GFCCVEGCSA-N	1	1	362.499	2.314	20	30		FEEDMO
C[N@H+]1C[C@@H]2CCN(C(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)[C@@H]2C1	ZINC000590278492	672569518	/nfs/dbraw/zinc/56/95/18/672569518.db2.gz	LGEHGXVICQYBSZ-SMDDNHRTSA-N	1	1	360.483	2.018	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCc3sccc3C2)CC1	ZINC000611371728	676034555	/nfs/dbraw/zinc/03/45/55/676034555.db2.gz	LOUWPFLLOXCBIT-KRWDZBQOSA-N	1	1	360.527	2.189	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCc3sccc3C2)CC1	ZINC000611371728	676034556	/nfs/dbraw/zinc/03/45/56/676034556.db2.gz	LOUWPFLLOXCBIT-KRWDZBQOSA-N	1	1	360.527	2.189	20	30		FEEDMO
C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@](O)(CC#N)C2)[C@H]1c1ccc(Cl)cc1	ZINC000591996904	672731336	/nfs/dbraw/zinc/73/13/36/672731336.db2.gz	GOFBBRLLEXDZQV-JZXOWHBKSA-N	1	1	362.861	2.145	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N2CC[C@@](O)(CC#N)C2)[C@H]1c1ccc(Cl)cc1	ZINC000591996904	672731339	/nfs/dbraw/zinc/73/13/39/672731339.db2.gz	GOFBBRLLEXDZQV-JZXOWHBKSA-N	1	1	362.861	2.145	20	30		FEEDMO
COc1cc(NC(=O)CC[N@H+]2CC[C@](O)(CC#N)C2)c(OC)cc1Cl	ZINC000592152518	672764763	/nfs/dbraw/zinc/76/47/63/672764763.db2.gz	YNZXAVMCEQZDEJ-QGZVFWFLSA-N	1	1	367.833	2.036	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC23CCCC3)CC1	ZINC000593039394	672867193	/nfs/dbraw/zinc/86/71/93/672867193.db2.gz	RYSMEFSYWCNRAY-INIZCTEOSA-N	1	1	358.511	2.475	20	30		FEEDMO
N#Cc1cc(Br)ccc1CC(=O)NCC[NH+]1CCSCC1	ZINC000593464189	672927064	/nfs/dbraw/zinc/92/70/64/672927064.db2.gz	FIKYDSQJZJHNAI-UHFFFAOYSA-N	1	1	368.300	2.028	20	30		FEEDMO
CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000593657004	672972620	/nfs/dbraw/zinc/97/26/20/672972620.db2.gz	DVKAQKAEHCZREY-UHFFFAOYSA-N	1	1	350.850	2.244	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(Br)sc1C	ZINC000327982595	673062465	/nfs/dbraw/zinc/06/24/65/673062465.db2.gz	JDJIOCHQANDXEA-UHFFFAOYSA-N	1	1	365.318	2.052	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1	ZINC000725809209	673091639	/nfs/dbraw/zinc/09/16/39/673091639.db2.gz	IUJWINKNWSZSMR-JKSUJKDBSA-N	1	1	351.491	2.422	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](CC#N)C2)[C@H](C)C1	ZINC000595512324	673259632	/nfs/dbraw/zinc/25/96/32/673259632.db2.gz	XOPJYXUBHBDZDK-SQNIBIBYSA-N	1	1	350.507	2.459	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1	ZINC000730284528	673269123	/nfs/dbraw/zinc/26/91/23/673269123.db2.gz	WISRAFNVBUQXMF-HOTGVXAUSA-N	1	1	361.873	2.141	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1	ZINC000730284528	673269129	/nfs/dbraw/zinc/26/91/29/673269129.db2.gz	WISRAFNVBUQXMF-HOTGVXAUSA-N	1	1	361.873	2.141	20	30		FEEDMO
Cc1cccc(OC[C@@H](O)C[NH+]2CCN(c3ccsc3C#N)CC2)c1	ZINC000595634556	673276752	/nfs/dbraw/zinc/27/67/52/673276752.db2.gz	XSKPSTCKOWUDFK-INIZCTEOSA-N	1	1	357.479	2.490	20	30		FEEDMO
C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(Br)cc1OCCCO	ZINC000463370543	673308237	/nfs/dbraw/zinc/30/82/37/673308237.db2.gz	WJVIGJMWNODVEW-LBPRGKRZSA-N	1	1	371.275	2.163	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@H]1CC1(C)C	ZINC000595910944	673337382	/nfs/dbraw/zinc/33/73/82/673337382.db2.gz	UTJURRNTZBSBJD-CVEARBPZSA-N	1	1	360.527	2.435	20	30		FEEDMO
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cccs2)CC1	ZINC000508918252	673342232	/nfs/dbraw/zinc/34/22/32/673342232.db2.gz	DRMIMWJQKFAJAC-OAHLLOKOSA-N	1	1	359.499	2.352	20	30		FEEDMO
C=C(C)COc1cc(C[N@H+]2CCC[C@@H]2CS(=O)(=O)NC)ccc1OC	ZINC000537658782	673400115	/nfs/dbraw/zinc/40/01/15/673400115.db2.gz	PEPRDOZUOSINCF-MRXNPFEDSA-N	1	1	368.499	2.164	20	30		FEEDMO
C=C(C)COc1cc(C[N@@H+]2CCC[C@@H]2CS(=O)(=O)NC)ccc1OC	ZINC000537658782	673400116	/nfs/dbraw/zinc/40/01/16/673400116.db2.gz	PEPRDOZUOSINCF-MRXNPFEDSA-N	1	1	368.499	2.164	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccn2)CCC1=NNS(=O)(=O)c1ccccc1	ZINC000734361394	673461076	/nfs/dbraw/zinc/46/10/76/673461076.db2.gz	CFTXIPDXRLZEAR-HNNXBMFYSA-N	1	1	358.467	2.258	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NNS(=O)(=O)c1ccccc1	ZINC000734361394	673461080	/nfs/dbraw/zinc/46/10/80/673461080.db2.gz	CFTXIPDXRLZEAR-HNNXBMFYSA-N	1	1	358.467	2.258	20	30		FEEDMO
C=CCCSCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1	ZINC000597277449	673462357	/nfs/dbraw/zinc/46/23/57/673462357.db2.gz	AQFZSXMSQIWMML-KRWDZBQOSA-N	1	1	367.559	2.325	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccccc3SCC#N)CC2)C1	ZINC000734454319	673463977	/nfs/dbraw/zinc/46/39/77/673463977.db2.gz	WIRPOWHEHRALNK-MRXNPFEDSA-N	1	1	358.511	2.154	20	30		FEEDMO
N#Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)cnc1C(F)(F)F	ZINC000597577438	673489169	/nfs/dbraw/zinc/48/91/69/673489169.db2.gz	GNEIAELPEGASTF-CHWSQXEVSA-N	1	1	356.323	2.230	20	30		FEEDMO
CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1	ZINC000598590857	673587190	/nfs/dbraw/zinc/58/71/90/673587190.db2.gz	UOYUCIYFWPHUKT-AWEZNQCLSA-N	1	1	351.397	2.023	20	30		FEEDMO
C[N@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H](O)COc1ccccc1C#N	ZINC000599309339	673656484	/nfs/dbraw/zinc/65/64/84/673656484.db2.gz	WJOBWNJPGJBFCN-CRICUBBOSA-N	1	1	358.463	2.167	20	30		FEEDMO
CCOC(=O)CC[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599339001	673661110	/nfs/dbraw/zinc/66/11/10/673661110.db2.gz	DMMXMRHDKNTEJB-DLBZAZTESA-N	1	1	352.475	2.113	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599343730	673662118	/nfs/dbraw/zinc/66/21/18/673662118.db2.gz	TVJDDRQTEXNJNI-CVEARBPZSA-N	1	1	352.475	2.254	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599343730	673662120	/nfs/dbraw/zinc/66/21/20/673662120.db2.gz	TVJDDRQTEXNJNI-CVEARBPZSA-N	1	1	352.475	2.254	20	30		FEEDMO
CO[C@@]1(C(F)(F)F)CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599380856	673667047	/nfs/dbraw/zinc/66/70/47/673667047.db2.gz	ZTKGSGUCCXXTQT-HIFRSBDPSA-N	1	1	350.381	2.101	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)C1CC1	ZINC000543808988	673671871	/nfs/dbraw/zinc/67/18/71/673671871.db2.gz	CXBOPYRFNCIYRD-ZBFHGGJFSA-N	1	1	355.360	2.137	20	30		FEEDMO
CC[C@@](C)(C(=O)OC)[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)CC1CC1	ZINC000599439918	673675800	/nfs/dbraw/zinc/67/58/00/673675800.db2.gz	JHIUNJJHHRIXQF-WMZOPIPTSA-N	1	1	352.475	2.111	20	30		FEEDMO
CCC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc(F)ccc1F	ZINC000743424500	673759528	/nfs/dbraw/zinc/75/95/28/673759528.db2.gz	LVZMKVIEXCFJGK-UHFFFAOYSA-N	1	1	370.469	2.265	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)c1ccccc1CC#N)CCC(F)(F)F	ZINC000601402400	673856218	/nfs/dbraw/zinc/85/62/18/673856218.db2.gz	LWTCLVSBKZPHPD-UHFFFAOYSA-N	1	1	363.405	2.305	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1ccccc1CC#N)CCC(F)(F)F	ZINC000601402400	673856220	/nfs/dbraw/zinc/85/62/20/673856220.db2.gz	LWTCLVSBKZPHPD-UHFFFAOYSA-N	1	1	363.405	2.305	20	30		FEEDMO
C[C@@H](CCN1CC[NH+](C)CC1)Nc1cc(C#N)c(Br)cn1	ZINC000603345231	673925549	/nfs/dbraw/zinc/92/55/49/673925549.db2.gz	ZIYHOOITRKHMLW-LBPRGKRZSA-N	1	1	352.280	2.154	20	30		FEEDMO
C[C@H]1COCC[N@H+]1C1CCN(c2ncc(Br)cc2C#N)CC1	ZINC000603402205	673929649	/nfs/dbraw/zinc/92/96/49/673929649.db2.gz	OTJLQOMLQNBDFE-LBPRGKRZSA-N	1	1	365.275	2.405	20	30		FEEDMO
CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819143510	675264308	/nfs/dbraw/zinc/26/43/08/675264308.db2.gz	GPYZOPYKVCQDLS-LSDHHAIUSA-N	1	1	352.479	2.032	20	30		FEEDMO
CC[N@H+]1CC[C@@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000819143508	675264374	/nfs/dbraw/zinc/26/43/74/675264374.db2.gz	GPYZOPYKVCQDLS-GJZGRUSLSA-N	1	1	352.479	2.032	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC[N@H+]1C	ZINC000819314265	675280363	/nfs/dbraw/zinc/28/03/63/675280363.db2.gz	WGNBEOFYNLCFAT-QLFBSQMISA-N	1	1	352.479	2.172	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC[N@@H+]1C	ZINC000819459697	675292229	/nfs/dbraw/zinc/29/22/29/675292229.db2.gz	ZWVXMBSLWOEZSY-QLFBSQMISA-N	1	1	352.479	2.125	20	30		FEEDMO
C#CC[C@@H]1CCC[N@H+](CCOc2ccc(S(=O)(=O)N(C)C)cc2)C1	ZINC000829769398	675890101	/nfs/dbraw/zinc/89/01/01/675890101.db2.gz	USZBWNVFOVGSNM-MRXNPFEDSA-N	1	1	350.484	2.051	20	30		FEEDMO
C#CC[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C1	ZINC000829794402	675891430	/nfs/dbraw/zinc/89/14/30/675891430.db2.gz	XHRLOQNINBPZSO-HNNXBMFYSA-N	1	1	361.873	2.438	20	30		FEEDMO
C#CC[N@@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000761504942	680725220	/nfs/dbraw/zinc/72/52/20/680725220.db2.gz	BCYPXJFILBZAOD-GOEBONIOSA-N	1	1	353.459	2.135	20	30		FEEDMO
C#CC[N@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000761504942	680725222	/nfs/dbraw/zinc/72/52/22/680725222.db2.gz	BCYPXJFILBZAOD-GOEBONIOSA-N	1	1	353.459	2.135	20	30		FEEDMO
C=CCCCS(=O)(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000657184818	677976413	/nfs/dbraw/zinc/97/64/13/677976413.db2.gz	NSQOUYOJWBWBFF-UHFFFAOYSA-N	1	1	363.527	2.227	20	30		FEEDMO
C=CCNC(=O)c1cccc(S(=O)(=O)NC(C)(C)C[N@H+](C)CCC)c1	ZINC000660107626	678283652	/nfs/dbraw/zinc/28/36/52/678283652.db2.gz	QBEMAOZTWSOEAM-UHFFFAOYSA-N	1	1	367.515	2.001	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@](CO)(OC)C1	ZINC000661392679	678475505	/nfs/dbraw/zinc/47/55/05/678475505.db2.gz	XLHJTXUMZONNAL-CRAIPNDOSA-N	1	1	352.500	2.125	20	30		FEEDMO
C=CC[N@@H+](CC(=O)NCC1(N2CCOCC2)CCCCC1)C(C)(C)C	ZINC000661755627	678530104	/nfs/dbraw/zinc/53/01/04/678530104.db2.gz	OAZNLAJYNWMXTE-UHFFFAOYSA-N	1	1	351.535	2.424	20	30		FEEDMO
FC(F)O[C@@H]1CCCN(CC#CC[N@@H+]2CCC[C@@H](OC(F)F)C2)C1	ZINC000671243045	679318337	/nfs/dbraw/zinc/31/83/37/679318337.db2.gz	LKGOOZOKCRNQSM-ZIAGYGMSSA-N	1	1	352.372	2.397	20	30		FEEDMO
FC(F)O[C@@H]1CCCN(CC#CC[N@H+]2CCC[C@@H](OC(F)F)C2)C1	ZINC000671243045	679318339	/nfs/dbraw/zinc/31/83/39/679318339.db2.gz	LKGOOZOKCRNQSM-ZIAGYGMSSA-N	1	1	352.372	2.397	20	30		FEEDMO
COC[C@@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000674500002	679492131	/nfs/dbraw/zinc/49/21/31/679492131.db2.gz	LMLYKFLSKTUFKM-INIZCTEOSA-N	1	1	354.372	2.284	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1	ZINC000974542983	679957309	/nfs/dbraw/zinc/95/73/09/679957309.db2.gz	MNGOEIYIEXDZPX-HUUCEWRRSA-N	1	1	364.877	2.030	20	30		FEEDMO
C=C(Br)CN1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1	ZINC000974606478	679963496	/nfs/dbraw/zinc/96/34/96/679963496.db2.gz	PUGQHZQUEXHNTD-MCIONIFRSA-N	1	1	358.324	2.062	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C	ZINC000749491210	680054503	/nfs/dbraw/zinc/05/45/03/680054503.db2.gz	WHYFLFFWRSJFHM-CABCVRRESA-N	1	1	352.479	2.126	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C	ZINC000749491210	680054508	/nfs/dbraw/zinc/05/45/08/680054508.db2.gz	WHYFLFFWRSJFHM-CABCVRRESA-N	1	1	352.479	2.126	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(c2ccccc2C#N)CC1	ZINC000751015048	680148025	/nfs/dbraw/zinc/14/80/25/680148025.db2.gz	QYOZXLPBNBMISD-KRWDZBQOSA-N	1	1	357.527	2.039	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@H](O)c1ccccc1Br	ZINC000832671975	680163373	/nfs/dbraw/zinc/16/33/73/680163373.db2.gz	HBBMOOIMQIQOKH-WFASDCNBSA-N	1	1	368.275	2.175	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@H](O)c1ccccc1Br	ZINC000832671975	680163377	/nfs/dbraw/zinc/16/33/77/680163377.db2.gz	HBBMOOIMQIQOKH-WFASDCNBSA-N	1	1	368.275	2.175	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1	ZINC001022174346	680201142	/nfs/dbraw/zinc/20/11/42/680201142.db2.gz	DHQGDGREPMHCDG-LSDHHAIUSA-N	1	1	364.877	2.030	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H](OC)C2CCC2)CC1	ZINC000981189964	680219565	/nfs/dbraw/zinc/21/95/65/680219565.db2.gz	IONGTOWIGVLIIV-CEXWTWQISA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CC[N@@H+]1CCCC2(CN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C2)C1	ZINC000981823982	680254026	/nfs/dbraw/zinc/25/40/26/680254026.db2.gz	IPFSCZHGSXCDED-LSDHHAIUSA-N	1	1	358.404	2.434	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](Cc1ncc(C)s1)C2	ZINC000982023654	680263618	/nfs/dbraw/zinc/26/36/18/680263618.db2.gz	QAHVWNZFDSSBGX-CVEARBPZSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1ncc(C)s1)C2	ZINC000982023654	680263621	/nfs/dbraw/zinc/26/36/21/680263621.db2.gz	QAHVWNZFDSSBGX-CVEARBPZSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CCOCC2)C1	ZINC001023599815	680265171	/nfs/dbraw/zinc/26/51/71/680265171.db2.gz	VTKITSIKRMOQQM-OTWHNJEPSA-N	1	1	350.503	2.222	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)COC)C2	ZINC000982061405	680265672	/nfs/dbraw/zinc/26/56/72/680265672.db2.gz	TXKUMHDVIPZDSP-BZSNNMDCSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@@H](C)OC)C[C@]2(C)C1	ZINC000982282283	680274604	/nfs/dbraw/zinc/27/46/04/680274604.db2.gz	VJZVENWQQGIZOT-VROUVPMXSA-N	1	1	350.503	2.173	20	30		FEEDMO
C[C@H]1CC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)C[N@H+]1C1CC1	ZINC000753955077	680326299	/nfs/dbraw/zinc/32/62/99/680326299.db2.gz	KQZKGGPAANVRAS-LBPRGKRZSA-N	1	1	365.503	2.183	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(OC)ns2)C1	ZINC001027586300	680360526	/nfs/dbraw/zinc/36/05/26/680360526.db2.gz	ZFHLSHNLBLZHDD-IMJJTQAJSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)Cc2cc(OC)ns2)C1	ZINC001027586300	680360530	/nfs/dbraw/zinc/36/05/30/680360530.db2.gz	ZFHLSHNLBLZHDD-IMJJTQAJSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCC1CCOCC1	ZINC001028195804	680372469	/nfs/dbraw/zinc/37/24/69/680372469.db2.gz	WMQMSSJGKNINDB-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC001028607439	680378824	/nfs/dbraw/zinc/37/88/24/680378824.db2.gz	RXNKNBUHGFKNLY-BFYDXBDKSA-N	1	1	366.893	2.171	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC001028607439	680378831	/nfs/dbraw/zinc/37/88/31/680378831.db2.gz	RXNKNBUHGFKNLY-BFYDXBDKSA-N	1	1	366.893	2.171	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1	ZINC001028809610	680383014	/nfs/dbraw/zinc/38/30/14/680383014.db2.gz	LJDSKSZWJHUBGO-QBIMZIAESA-N	1	1	350.409	2.494	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCc1scnc1C	ZINC001032411409	680412536	/nfs/dbraw/zinc/41/25/36/680412536.db2.gz	PVNYFPFHUJKNMI-NXOAAHMSSA-N	1	1	361.511	2.260	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1scnc1C	ZINC001032411409	680412538	/nfs/dbraw/zinc/41/25/38/680412538.db2.gz	PVNYFPFHUJKNMI-NXOAAHMSSA-N	1	1	361.511	2.260	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnc(C3CC3)s2)C1	ZINC001000240961	680424665	/nfs/dbraw/zinc/42/46/65/680424665.db2.gz	KZONPFBYKOOJMT-ZNMIVQPWSA-N	1	1	362.499	2.087	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](CCOC2CCC2)C1	ZINC001033836754	680426040	/nfs/dbraw/zinc/42/60/40/680426040.db2.gz	JJRCIJUXNABYAZ-QRQLOZEOSA-N	1	1	350.503	2.460	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)CC1	ZINC001000263355	680426086	/nfs/dbraw/zinc/42/60/86/680426086.db2.gz	ISXFCJKTDSISHC-KGLIPLIRSA-N	1	1	353.894	2.001	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csnn2)CC1	ZINC001034753232	680439816	/nfs/dbraw/zinc/43/98/16/680439816.db2.gz	CECKQLUBOWDYTI-SDADXPQNSA-N	1	1	350.488	2.036	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C(C)C)s1	ZINC001035054527	680442644	/nfs/dbraw/zinc/44/26/44/680442644.db2.gz	OROHGZSYDOMPKB-KFWWJZLASA-N	1	1	364.515	2.333	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CCOC)C2)CC1	ZINC001039131847	680462182	/nfs/dbraw/zinc/46/21/82/680462182.db2.gz	XLMDDMWPOOXBBY-OTWHNJEPSA-N	1	1	350.503	2.175	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(Cl)c(N2CCNC2=O)c1	ZINC000756541596	680484003	/nfs/dbraw/zinc/48/40/03/680484003.db2.gz	JKOHVGQZGYWSEL-CQSZACIVSA-N	1	1	361.829	2.124	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC000756545457	680484225	/nfs/dbraw/zinc/48/42/25/680484225.db2.gz	YBUVVCCLMVVTGK-CABCVRRESA-N	1	1	360.841	2.334	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)OCC[NH+]1CCSCC1	ZINC000757929469	680543186	/nfs/dbraw/zinc/54/31/86/680543186.db2.gz	OHFPRXMJTDQZOB-UHFFFAOYSA-N	1	1	364.467	2.318	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1Nc1nc(C#N)c(Cl)s1	ZINC001043451531	680582634	/nfs/dbraw/zinc/58/26/34/680582634.db2.gz	QBEALHBCZNUSAT-RTXFEEFZSA-N	1	1	367.906	2.411	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1Nc1snc(Cl)c1C#N	ZINC001043561470	680587691	/nfs/dbraw/zinc/58/76/91/680587691.db2.gz	CBMNRQJVFGRWSY-PRULPYPASA-N	1	1	367.906	2.267	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC1(C)CC[NH+](Cc2cc(OC)ns2)CC1	ZINC001045560415	680634364	/nfs/dbraw/zinc/63/43/64/680634364.db2.gz	RPYIWHVVFXIPQQ-CABCVRRESA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C(Br)CN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC001007368813	680637577	/nfs/dbraw/zinc/63/75/77/680637577.db2.gz	KZBORWFDAOQBOU-QLFBSQMISA-N	1	1	358.324	2.206	20	30		FEEDMO
C[C@H](C(=O)NCCc1cccs1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1	ZINC000844366309	681054130	/nfs/dbraw/zinc/05/41/30/681054130.db2.gz	IKPKHJQHRGATFX-KDOFPFPSSA-N	1	1	357.479	2.332	20	30		FEEDMO
C[C@H](C(=O)NCCc1cccs1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1	ZINC000844366309	681054134	/nfs/dbraw/zinc/05/41/34/681054134.db2.gz	IKPKHJQHRGATFX-KDOFPFPSSA-N	1	1	357.479	2.332	20	30		FEEDMO
C[C@H](C(=O)NCCc1cccs1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1	ZINC000844366313	681054631	/nfs/dbraw/zinc/05/46/31/681054631.db2.gz	IKPKHJQHRGATFX-RDTXWAMCSA-N	1	1	357.479	2.332	20	30		FEEDMO
C[C@H](C(=O)NCCc1cccs1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1	ZINC000844366313	681054633	/nfs/dbraw/zinc/05/46/33/681054633.db2.gz	IKPKHJQHRGATFX-RDTXWAMCSA-N	1	1	357.479	2.332	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1c1nc(C#N)c(Cl)s1	ZINC001051014867	681059827	/nfs/dbraw/zinc/05/98/27/681059827.db2.gz	FBOSJKWLQZUQHS-TUAOUCFPSA-N	1	1	367.906	2.093	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CCN1c1ncc(C#N)cc1Cl	ZINC001051014744	681059926	/nfs/dbraw/zinc/05/99/26/681059926.db2.gz	CNCBXNAEWHDUNS-ZENOOKHLSA-N	1	1	361.877	2.032	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCCO1	ZINC000773259386	681133351	/nfs/dbraw/zinc/13/33/51/681133351.db2.gz	MAWYZXKQBGYANA-NJAFHUGGSA-N	1	1	361.511	2.440	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCCO1	ZINC000773259383	681133374	/nfs/dbraw/zinc/13/33/74/681133374.db2.gz	MAWYZXKQBGYANA-BPQIPLTHSA-N	1	1	361.511	2.440	20	30		FEEDMO
CCc1cc(N[C@@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C(F)(F)F)nc(C)[nH+]1	ZINC001055607082	681144041	/nfs/dbraw/zinc/14/40/41/681144041.db2.gz	LRBHGXIXXMKTOI-OASPWFOLSA-N	1	1	355.364	2.308	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001057770993	681164186	/nfs/dbraw/zinc/16/41/86/681164186.db2.gz	QWGWNEOEVSDEJI-IJLUTSLNSA-N	1	1	367.906	2.411	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2ncc(C(=O)OC)s2)C1	ZINC000932663983	681280133	/nfs/dbraw/zinc/28/01/33/681280133.db2.gz	KOMODXJEKGSZHS-ZIAGYGMSSA-N	1	1	363.483	2.308	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ncc(C(=O)OC)s2)C1	ZINC000932663983	681280135	/nfs/dbraw/zinc/28/01/35/681280135.db2.gz	KOMODXJEKGSZHS-ZIAGYGMSSA-N	1	1	363.483	2.308	20	30		FEEDMO
C[N@H+]1C[C@@H](CNC(=O)N[C@H](CC#N)C(F)(F)F)[C@H](c2ccccc2)C1	ZINC000932887527	681322967	/nfs/dbraw/zinc/32/29/67/681322967.db2.gz	PGHPBGKTBOJDRS-QLFBSQMISA-N	1	1	354.376	2.476	20	30		FEEDMO
N#CC[C@H](NC(=O)N1CC[NH+](CCc2ccccc2)CC1)C(F)(F)F	ZINC000932927302	681329724	/nfs/dbraw/zinc/32/97/24/681329724.db2.gz	ULTZKWHZCQYGGP-HNNXBMFYSA-N	1	1	354.376	2.401	20	30		FEEDMO
N#CC[C@@H](O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932944812	681333020	/nfs/dbraw/zinc/33/30/20/681333020.db2.gz	MYHJWCLOUSIVCA-CSMHCCOUSA-N	1	1	352.225	2.364	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)[C@@H]1CCCO1	ZINC000775789233	681335096	/nfs/dbraw/zinc/33/50/96/681335096.db2.gz	LJPRZMFVWVHFAG-RCBQFDQVSA-N	1	1	365.271	2.397	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@@H]1CCCO1	ZINC000775785993	681335219	/nfs/dbraw/zinc/33/52/19/681335219.db2.gz	UIPOZEWNFZKDTB-HOTGVXAUSA-N	1	1	352.381	2.017	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1)[C@H]1CCCO1	ZINC000775789235	681335349	/nfs/dbraw/zinc/33/53/49/681335349.db2.gz	LJPRZMFVWVHFAG-VBNZEHGJSA-N	1	1	365.271	2.397	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)[C@@H]1CCCO1	ZINC000775792066	681335595	/nfs/dbraw/zinc/33/55/95/681335595.db2.gz	PVKFEJOXEUNXIM-KBPBESRZSA-N	1	1	364.467	2.251	20	30		FEEDMO
C[N@H+]1CCCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1	ZINC000847284750	681358732	/nfs/dbraw/zinc/35/87/32/681358732.db2.gz	PYVDABKTEYKFEA-OAHLLOKOSA-N	1	1	352.479	2.128	20	30		FEEDMO
CCC1(CC)CNC(=O)[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000933291807	681388928	/nfs/dbraw/zinc/38/89/28/681388928.db2.gz	VCLDWEYDFVHUAO-XHDPSFHLSA-N	1	1	362.861	2.433	20	30		FEEDMO
C[N@@H+](Cc1cc(C#N)cs1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1	ZINC000933771815	681466592	/nfs/dbraw/zinc/46/65/92/681466592.db2.gz	UPKRYFTWDNCVOR-QGZVFWFLSA-N	1	1	351.472	2.423	20	30		FEEDMO
CC[N@@H+](CCC(=O)NC)CC(=O)Nc1ccccc1S[C@H](C)CC#N	ZINC000933862913	681475775	/nfs/dbraw/zinc/47/57/75/681475775.db2.gz	FMLVBFJDRVMFGU-CQSZACIVSA-N	1	1	362.499	2.477	20	30		FEEDMO
CN(C)S(=O)(=O)c1ccc(N=NC2CCC[N@H+]3CCCC[C@H]23)cc1	ZINC000848410483	681536406	/nfs/dbraw/zinc/53/64/06/681536406.db2.gz	POBSCAZXWUPKCU-QGZVFWFLSA-N	1	1	350.488	2.353	20	30		FEEDMO
C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000934467508	681574933	/nfs/dbraw/zinc/57/49/33/681574933.db2.gz	RKHUOWVFZOWOCM-GDBMZVCRSA-N	1	1	365.499	2.351	20	30		FEEDMO
C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000934467508	681574940	/nfs/dbraw/zinc/57/49/40/681574940.db2.gz	RKHUOWVFZOWOCM-GDBMZVCRSA-N	1	1	365.499	2.351	20	30		FEEDMO
C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000934472588	681575327	/nfs/dbraw/zinc/57/53/27/681575327.db2.gz	OJBIQAYIPKLSKH-GHMZBOCLSA-N	1	1	355.360	2.198	20	30		FEEDMO
C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000934472588	681575329	/nfs/dbraw/zinc/57/53/29/681575329.db2.gz	OJBIQAYIPKLSKH-GHMZBOCLSA-N	1	1	355.360	2.198	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC000948638470	681591546	/nfs/dbraw/zinc/59/15/46/681591546.db2.gz	AZWOZKFJDUURHR-LUKYLMHMSA-N	1	1	356.894	2.103	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2snnc2C)CC1	ZINC000948785501	681597861	/nfs/dbraw/zinc/59/78/61/681597861.db2.gz	LIKBJXORDNYBPZ-OAGGEKHMSA-N	1	1	364.515	2.251	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1	ZINC000951595225	681749500	/nfs/dbraw/zinc/74/95/00/681749500.db2.gz	YRQZZPLJNHUKCQ-BZSNNMDCSA-N	1	1	350.503	2.317	20	30		FEEDMO
COc1cc(C(C)=NNc2cc[nH+]cc2)ccc1S(=O)(=O)C(F)F	ZINC000779812320	681756012	/nfs/dbraw/zinc/75/60/12/681756012.db2.gz	RHSBGBCJMZHBGX-UHFFFAOYSA-N	1	1	355.366	2.345	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1csc(C#N)c1)c1cccc(F)c1	ZINC000913850714	685486603	/nfs/dbraw/zinc/48/66/03/685486603.db2.gz	PPIMSARNQYXGMO-INIZCTEOSA-N	1	1	367.471	2.481	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+](CCOC)C2)CC1	ZINC000961411753	682092565	/nfs/dbraw/zinc/09/25/65/682092565.db2.gz	NWHPPIUHHZJECZ-QRVBRYPASA-N	1	1	350.503	2.175	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21	ZINC000962019310	682106958	/nfs/dbraw/zinc/10/69/58/682106958.db2.gz	UHUCCNFWBITOIX-AVEIZBFRSA-N	1	1	357.479	2.147	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)CC[N@H+](C2CCC2)C1	ZINC000915841922	685518828	/nfs/dbraw/zinc/51/88/28/685518828.db2.gz	AODYAJJRBOKSCB-CYBMUJFWSA-N	1	1	353.513	2.256	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc(C)sc1C	ZINC000916311976	685523571	/nfs/dbraw/zinc/52/35/71/685523571.db2.gz	WHXWBQRUMCAPHC-UHFFFAOYSA-N	1	1	354.545	2.275	20	30		FEEDMO
C#CCOCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1	ZINC000851884317	682176694	/nfs/dbraw/zinc/17/66/94/682176694.db2.gz	BRLAGFKWXZERJB-KRWDZBQOSA-N	1	1	362.271	2.281	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C(C)C)s2)C1	ZINC000970242104	682290835	/nfs/dbraw/zinc/29/08/35/682290835.db2.gz	SMUHPMNVTASJLV-YCPHGPKFSA-N	1	1	364.515	2.333	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCn2cc(Cl)cn2)C1	ZINC000971558670	682359124	/nfs/dbraw/zinc/35/91/24/682359124.db2.gz	DGYUDERPPDNBHL-BBWFWOEESA-N	1	1	366.893	2.050	20	30		FEEDMO
C=CC[C@@H]1CCC[N@@H+](CN2C(=O)C(=O)N(CCc3cccs3)C2=O)C1	ZINC000853536196	682429826	/nfs/dbraw/zinc/42/98/26/682429826.db2.gz	OSBOHGUEVKQGOQ-CQSZACIVSA-N	1	1	361.467	2.327	20	30		FEEDMO
COc1cc([N-][NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)ccc1Cl	ZINC000788468344	682531939	/nfs/dbraw/zinc/53/19/39/682531939.db2.gz	TUNDRNNZGLJQOQ-UHFFFAOYSA-N	1	1	360.849	2.336	20	30		FEEDMO
C[C@@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)CC(C)(C)C#N)CC1	ZINC000790038857	682650172	/nfs/dbraw/zinc/65/01/72/682650172.db2.gz	NBZBBOROEZBKRB-AWEZNQCLSA-N	1	1	350.488	2.076	20	30		FEEDMO
CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(C#N)ccc1Cl)C2	ZINC000926150076	683083125	/nfs/dbraw/zinc/08/31/25/683083125.db2.gz	FMTJDLULNQDWSZ-VXIBKDFQSA-N	1	1	361.873	2.421	20	30		FEEDMO
C=CC[C@@H]1CC[N@H+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000859445100	683110954	/nfs/dbraw/zinc/11/09/54/683110954.db2.gz	AZFBXGVHERWEST-MRXNPFEDSA-N	1	1	351.491	2.354	20	30		FEEDMO
CC[N@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C	ZINC000859529046	683123767	/nfs/dbraw/zinc/12/37/67/683123767.db2.gz	HYHGZBGCOOJHQR-KSSFIOAISA-N	1	1	354.495	2.276	20	30		FEEDMO
CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C	ZINC000859529046	683123769	/nfs/dbraw/zinc/12/37/69/683123769.db2.gz	HYHGZBGCOOJHQR-KSSFIOAISA-N	1	1	354.495	2.276	20	30		FEEDMO
CC[N@H+](CCNC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C	ZINC000859529047	683123910	/nfs/dbraw/zinc/12/39/10/683123910.db2.gz	HYHGZBGCOOJHQR-RDTXWAMCSA-N	1	1	354.495	2.276	20	30		FEEDMO
CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C	ZINC000859529047	683123913	/nfs/dbraw/zinc/12/39/13/683123913.db2.gz	HYHGZBGCOOJHQR-RDTXWAMCSA-N	1	1	354.495	2.276	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC(F)(F)CC2)CC1	ZINC000796539079	683168342	/nfs/dbraw/zinc/16/83/42/683168342.db2.gz	JNWDHQHGJXLZLQ-CQSZACIVSA-N	1	1	368.453	2.188	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000798956584	683407920	/nfs/dbraw/zinc/40/79/20/683407920.db2.gz	DTBBUXFWLBOCET-JKSUJKDBSA-N	1	1	351.491	2.352	20	30		FEEDMO
COc1ccc(Br)c(C=NNCCC[NH+]2CCOCC2)c1	ZINC000799489109	683460284	/nfs/dbraw/zinc/46/02/84/683460284.db2.gz	OYVZJRIQQHBDBO-UHFFFAOYSA-N	1	1	356.264	2.104	20	30		FEEDMO
C=CCn1nnn(CN2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1=S	ZINC000799943611	683513091	/nfs/dbraw/zinc/51/30/91/683513091.db2.gz	UPWGYWKKZJCZQN-CQSZACIVSA-N	1	1	359.503	2.365	20	30		FEEDMO
C#CC[C@H](CO)NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000921701725	683548638	/nfs/dbraw/zinc/54/86/38/683548638.db2.gz	BNPWCLWIWIDMNX-CPUCHLNUSA-N	1	1	367.852	2.155	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1	ZINC000930000614	683667121	/nfs/dbraw/zinc/66/71/21/683667121.db2.gz	NCCGKUBIBJYILY-MSOLQXFVSA-N	1	1	362.495	2.284	20	30		FEEDMO
N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1	ZINC000930277462	683703497	/nfs/dbraw/zinc/70/34/97/683703497.db2.gz	COZKLCRPIYRTJV-QXCFHYIPSA-N	1	1	361.873	2.326	20	30		FEEDMO
N#CC[C@@H](O)C[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F	ZINC000930503135	683744444	/nfs/dbraw/zinc/74/44/44/683744444.db2.gz	LGQUXFOBDSYSLO-ZIAGYGMSSA-N	1	1	350.768	2.382	20	30		FEEDMO
N#CC[C@@H](O)C[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F	ZINC000930503135	683744449	/nfs/dbraw/zinc/74/44/49/683744449.db2.gz	LGQUXFOBDSYSLO-ZIAGYGMSSA-N	1	1	350.768	2.382	20	30		FEEDMO
C#C[C@H](NS(=O)(=O)CC1([NH+](C)C)CC1)c1ccc(Br)cc1	ZINC000867316969	684246773	/nfs/dbraw/zinc/24/67/73/684246773.db2.gz	BSUBPXBYZAPCDG-AWEZNQCLSA-N	1	1	371.300	2.137	20	30		FEEDMO
Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(C#N)c2)cn1	ZINC000931426296	684281581	/nfs/dbraw/zinc/28/15/81/684281581.db2.gz	MFCIVECBQVDXKY-KRWDZBQOSA-N	1	1	357.845	2.340	20	30		FEEDMO
Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(C#N)c2)cn1	ZINC000931426296	684281584	/nfs/dbraw/zinc/28/15/84/684281584.db2.gz	MFCIVECBQVDXKY-KRWDZBQOSA-N	1	1	357.845	2.340	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2c(C(F)(F)F)nc3ccccn32)C1	ZINC000923555848	684305091	/nfs/dbraw/zinc/30/50/91/684305091.db2.gz	SPRUJGKULXNYHQ-LBPRGKRZSA-N	1	1	350.344	2.181	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(C(F)(F)F)nc3ccccn32)C1	ZINC000923555848	684305097	/nfs/dbraw/zinc/30/50/97/684305097.db2.gz	SPRUJGKULXNYHQ-LBPRGKRZSA-N	1	1	350.344	2.181	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Cc2csc(Cc3ccccc3)n2)C1	ZINC000923584484	684308719	/nfs/dbraw/zinc/30/87/19/684308719.db2.gz	XJBLMFXFKJDCOM-KRWDZBQOSA-N	1	1	353.491	2.490	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2csc(Cc3ccccc3)n2)C1	ZINC000923584484	684308723	/nfs/dbraw/zinc/30/87/23/684308723.db2.gz	XJBLMFXFKJDCOM-KRWDZBQOSA-N	1	1	353.491	2.490	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C1	ZINC000923591988	684310327	/nfs/dbraw/zinc/31/03/27/684310327.db2.gz	NBHKOSIXIVTRHM-OAHLLOKOSA-N	1	1	359.857	2.294	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)C1	ZINC000923591988	684310330	/nfs/dbraw/zinc/31/03/30/684310330.db2.gz	NBHKOSIXIVTRHM-OAHLLOKOSA-N	1	1	359.857	2.294	20	30		FEEDMO
COC1(OC)CCOC[C@@H]1[NH2+]CC#Cc1ccc(OC(F)(F)F)cc1	ZINC000931672428	684326607	/nfs/dbraw/zinc/32/66/07/684326607.db2.gz	ALVQTYBVPKGQFD-HNNXBMFYSA-N	1	1	359.344	2.304	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C2OCCO2)C1	ZINC000932003598	684386680	/nfs/dbraw/zinc/38/66/80/684386680.db2.gz	WRXKTQZTDKQVNO-HUUCEWRRSA-N	1	1	350.484	2.346	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[N@@H+]1CC=CCC1	ZINC000867921617	684426789	/nfs/dbraw/zinc/42/67/89/684426789.db2.gz	NPKGBHQGAKGRGN-AWEZNQCLSA-N	1	1	357.882	2.400	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](N2C(=O)N[C@H](c3ccc(OC)c(Cl)c3)C2=O)C1	ZINC000925325488	684549867	/nfs/dbraw/zinc/54/98/67/684549867.db2.gz	LSZDLYOHGAZZQW-XJKSGUPXSA-N	1	1	361.829	2.039	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](N2C(=O)N[C@H](c3ccc(OC)c(Cl)c3)C2=O)C1	ZINC000925325488	684549872	/nfs/dbraw/zinc/54/98/72/684549872.db2.gz	LSZDLYOHGAZZQW-XJKSGUPXSA-N	1	1	361.829	2.039	20	30		FEEDMO
C[N@H+](CC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)[C@@H]1CCSC1	ZINC000871182753	684795277	/nfs/dbraw/zinc/79/52/77/684795277.db2.gz	IECYCRRVSMEIRJ-QGZVFWFLSA-N	1	1	355.467	2.179	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)[C@@H]1CCSC1	ZINC000871182753	684795279	/nfs/dbraw/zinc/79/52/79/684795279.db2.gz	IECYCRRVSMEIRJ-QGZVFWFLSA-N	1	1	355.467	2.179	20	30		FEEDMO
C=C(Cl)C[C@@H](N)c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1	ZINC000872178281	684924886	/nfs/dbraw/zinc/92/48/86/684924886.db2.gz	UIACEPHLFBXTJH-CQSZACIVSA-N	1	1	362.865	2.416	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@@H](C[N@@H+]1CC[C@](O)(CC#N)C1)CC(F)(F)F	ZINC000877606159	686420706	/nfs/dbraw/zinc/42/07/06/686420706.db2.gz	RGCRLDOCLNALNK-BXUZGUMPSA-N	1	1	351.369	2.183	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@@H](C[N@H+]1CC[C@](O)(CC#N)C1)CC(F)(F)F	ZINC000877606159	686420709	/nfs/dbraw/zinc/42/07/09/686420709.db2.gz	RGCRLDOCLNALNK-BXUZGUMPSA-N	1	1	351.369	2.183	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[NH+]2CCC(CO)(CO)CC2)cc1OC	ZINC000877796058	686465151	/nfs/dbraw/zinc/46/51/51/686465151.db2.gz	GPVQHGRQAIWYNU-UHFFFAOYSA-N	1	1	355.862	2.480	20	30		FEEDMO
C[NH+]1CCN(CCCCNc2ncc(C#N)cc2Br)CC1	ZINC000881802707	687220759	/nfs/dbraw/zinc/22/07/59/687220759.db2.gz	DYEWIXLWYGRYAG-UHFFFAOYSA-N	1	1	352.280	2.155	20	30		FEEDMO
C#CC[N@@H+](C)CCCNc1ccccc1S(=O)(=O)NCc1ccco1	ZINC000882402615	687361144	/nfs/dbraw/zinc/36/11/44/687361144.db2.gz	NSYOUVIDGFIRDD-UHFFFAOYSA-N	1	1	361.467	2.125	20	30		FEEDMO
C=CCCS(=O)(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2	ZINC000882789947	687491044	/nfs/dbraw/zinc/49/10/44/687491044.db2.gz	JLVXJEXEBKBKDE-HKUYNNGSSA-N	1	1	364.511	2.258	20	30		FEEDMO
C=CCCS(=O)(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2	ZINC000882789947	687491046	/nfs/dbraw/zinc/49/10/46/687491046.db2.gz	JLVXJEXEBKBKDE-HKUYNNGSSA-N	1	1	364.511	2.258	20	30		FEEDMO
N#Cc1nc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)ccc1Br	ZINC000883086642	687560691	/nfs/dbraw/zinc/56/06/91/687560691.db2.gz	ATMXDXZDDMDMGO-NSHDSACASA-N	1	1	364.247	2.322	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Br)c(C#N)n2)CC[N@H+]1C	ZINC000883092292	687562017	/nfs/dbraw/zinc/56/20/17/687562017.db2.gz	LDQQLSXLZLHLMR-ZJUUUORDSA-N	1	1	352.236	2.320	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000885456119	688076989	/nfs/dbraw/zinc/07/69/89/688076989.db2.gz	YCHTZWVURMDXES-KGLIPLIRSA-N	1	1	353.875	2.459	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@@H](c4nccs4)C3)C2=O)cc1	ZINC000887303641	688402967	/nfs/dbraw/zinc/40/29/67/688402967.db2.gz	YZBSFSIWICPMKF-UKRRQHHQSA-N	1	1	352.419	2.136	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@@H](c4nccs4)C3)C2=O)cc1	ZINC000887303641	688402970	/nfs/dbraw/zinc/40/29/70/688402970.db2.gz	YZBSFSIWICPMKF-UKRRQHHQSA-N	1	1	352.419	2.136	20	30		FEEDMO
C[N@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(Br)c(C#N)c2)C1	ZINC000887994966	688532762	/nfs/dbraw/zinc/53/27/62/688532762.db2.gz	QMEHMHAABOXENS-OAHLLOKOSA-N	1	1	352.232	2.106	20	30		FEEDMO
O=C1[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CCCN1O	ZINC000895164689	689670474	/nfs/dbraw/zinc/67/04/74/689670474.db2.gz	HRELHSHKYFXGLW-LBPRGKRZSA-N	1	1	371.231	2.080	20	30		FEEDMO
O=C1[C@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCCN1O	ZINC000895166323	689670515	/nfs/dbraw/zinc/67/05/15/689670515.db2.gz	POCQDGUAVWBIAK-CQSZACIVSA-N	1	1	365.231	2.105	20	30		FEEDMO
C[N@@H+]1CCN(C(=O)NCc2nc(C#N)cs2)C[C@H]1Cc1ccccc1	ZINC000897275399	689998938	/nfs/dbraw/zinc/99/89/38/689998938.db2.gz	MRJAEOBEFKKWRM-MRXNPFEDSA-N	1	1	355.467	2.083	20	30		FEEDMO
C[N@H+]1CCN(C(=O)NCc2nc(C#N)cs2)C[C@H]1Cc1ccccc1	ZINC000897275399	689998941	/nfs/dbraw/zinc/99/89/41/689998941.db2.gz	MRJAEOBEFKKWRM-MRXNPFEDSA-N	1	1	355.467	2.083	20	30		FEEDMO
NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC#C[C@@H]1CCCCO1	ZINC000901704490	690682054	/nfs/dbraw/zinc/68/20/54/690682054.db2.gz	VDDJDJZYWCLCLA-JKSUJKDBSA-N	1	1	354.372	2.264	20	30		FEEDMO
C[C@@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1cc(C#N)ccn1	ZINC000903327293	690882725	/nfs/dbraw/zinc/88/27/25/690882725.db2.gz	ZLRUCFAKQJJQOP-YMTOWFKASA-N	1	1	372.226	2.325	20	30		FEEDMO
C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000906798115	691317790	/nfs/dbraw/zinc/31/77/90/691317790.db2.gz	NXBWHZVBEUFYBQ-HUUCEWRRSA-N	1	1	351.491	2.399	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1C#N)C2	ZINC001164807470	720103714	/nfs/dbraw/zinc/10/37/14/720103714.db2.gz	CMUIPLQGKILHOY-VQIMIIECSA-N	1	1	371.441	2.046	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(OC)cc(C#N)n1)C2	ZINC001164816173	720123402	/nfs/dbraw/zinc/12/34/02/720123402.db2.gz	YBNZLRZNIBERBV-JXFKEZNVSA-N	1	1	356.470	2.147	20	30		FEEDMO
N#Cc1ccc(C(F)(F)N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)nc1Cl	ZINC001164964844	722067699	/nfs/dbraw/zinc/06/76/99/722067699.db2.gz	DAMMNXKDALFHFQ-OKILXGFUSA-N	1	1	368.815	2.451	20	30		FEEDMO
N#Cc1ccc(C(F)(F)N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc1Cl	ZINC001164964844	722067701	/nfs/dbraw/zinc/06/77/01/722067701.db2.gz	DAMMNXKDALFHFQ-OKILXGFUSA-N	1	1	368.815	2.451	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@H+](C)CC[C@@H]1C	ZINC000499127630	889030970	/nfs/dbraw/zinc/03/09/70/889030970.db2.gz	MVMHXYWTRAILSJ-AWEZNQCLSA-N	1	1	353.430	2.005	20	30		FEEDMO
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCCCC1(C#N)CCOCC1	ZINC000800176077	674029493	/nfs/dbraw/zinc/02/94/93/674029493.db2.gz	WQGISOOUCIGRFA-KRWDZBQOSA-N	1	1	352.475	2.423	20	30		FEEDMO
C[N@@H+](CCOc1cccc(CNC(=O)C(C)(C)C#N)c1)C1CCOCC1	ZINC000076224931	542247152	/nfs/dbraw/zinc/24/71/52/542247152.db2.gz	WYWNRHFKOZBIKO-UHFFFAOYSA-N	1	1	359.470	2.342	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)CC1	ZINC000057153444	210206719	/nfs/dbraw/zinc/20/67/19/210206719.db2.gz	WGXGSDQVGFVHKR-UHFFFAOYSA-N	1	1	354.450	2.159	20	30		FEEDMO
Cc1cc(NC(=O)[C@@H](C)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)on1	ZINC000022969642	539703561	/nfs/dbraw/zinc/70/35/61/539703561.db2.gz	QWTDALUNLORWLS-MRXNPFEDSA-N	1	1	367.453	2.390	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](CCC(C)C)C3CC3)CC2)o1	ZINC000029719669	539862424	/nfs/dbraw/zinc/86/24/24/539862424.db2.gz	BIBSWDLYJJKNKM-UHFFFAOYSA-N	1	1	359.474	2.014	20	30		FEEDMO
CC(C)(C)C(=O)NCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000029985941	539871808	/nfs/dbraw/zinc/87/18/08/539871808.db2.gz	DJCITIIQPQQUMY-UHFFFAOYSA-N	1	1	370.497	2.145	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)[C@@H](C)c3cccs3)CC2)o1	ZINC000031583317	539912210	/nfs/dbraw/zinc/91/22/10/539912210.db2.gz	VWHQJZNKEBHRRE-ZDUSSCGKSA-N	1	1	373.482	2.258	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@@H](C)c3cccs3)CC2)o1	ZINC000031583317	539912215	/nfs/dbraw/zinc/91/22/15/539912215.db2.gz	VWHQJZNKEBHRRE-ZDUSSCGKSA-N	1	1	373.482	2.258	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+](C)CC(=O)N2CCC(C(=O)OCC)CC2)cc1	ZINC000042364526	540060096	/nfs/dbraw/zinc/06/00/96/540060096.db2.gz	MBLIJSCXFJFSCO-UHFFFAOYSA-N	1	1	374.481	2.485	20	30		FEEDMO
C=CCOc1ccc(C[N@H+](C)CC(=O)N2CCC(C(=O)OCC)CC2)cc1	ZINC000042364526	540060098	/nfs/dbraw/zinc/06/00/98/540060098.db2.gz	MBLIJSCXFJFSCO-UHFFFAOYSA-N	1	1	374.481	2.485	20	30		FEEDMO
CC(C)N(C)C(=O)C1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1	ZINC000042147746	540053019	/nfs/dbraw/zinc/05/30/19/540053019.db2.gz	IVZDDFVZYQCYKS-MRXNPFEDSA-N	1	1	362.518	2.296	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(C#N)cc1	ZINC000046526902	540261273	/nfs/dbraw/zinc/26/12/73/540261273.db2.gz	RERRBUGLQWXVTA-UHFFFAOYSA-N	1	1	366.440	2.478	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(C#N)cc1	ZINC000046526902	540261276	/nfs/dbraw/zinc/26/12/76/540261276.db2.gz	RERRBUGLQWXVTA-UHFFFAOYSA-N	1	1	366.440	2.478	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1cc(Br)cs1	ZINC000048575445	540366729	/nfs/dbraw/zinc/36/67/29/540366729.db2.gz	ZRXQQWSYMCLEMH-VIFPVBQESA-N	1	1	360.277	2.343	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1cc(Br)cs1	ZINC000048575445	540366734	/nfs/dbraw/zinc/36/67/34/540366734.db2.gz	ZRXQQWSYMCLEMH-VIFPVBQESA-N	1	1	360.277	2.343	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)cc1	ZINC000051557654	540437738	/nfs/dbraw/zinc/43/77/38/540437738.db2.gz	YJADKINUSHOORB-RBUKOAKNSA-N	1	1	371.481	2.022	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C(=O)N2CCCC2)CC1	ZINC000053846089	540557838	/nfs/dbraw/zinc/55/78/38/540557838.db2.gz	MYVDPUAPFPWKRT-MRXNPFEDSA-N	1	1	360.502	2.052	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000055014584	540621411	/nfs/dbraw/zinc/62/14/11/540621411.db2.gz	OHPASBNRRPYVHJ-HNNXBMFYSA-N	1	1	374.510	2.428	20	30		FEEDMO
N#Cc1ccc(OCC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1	ZINC000056039469	540695521	/nfs/dbraw/zinc/69/55/21/540695521.db2.gz	WVYQZYYTKPARDZ-UHFFFAOYSA-N	1	1	365.433	2.450	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCC[C@H](C(=O)OCC)C1)Cc1ccc(OC)cc1	ZINC000056291331	540716236	/nfs/dbraw/zinc/71/62/36/540716236.db2.gz	IZYJXQYLFMWTTO-SFHVURJKSA-N	1	1	374.481	2.485	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCC[C@H](C(=O)OCC)C1)Cc1ccc(OC)cc1	ZINC000056291331	540716237	/nfs/dbraw/zinc/71/62/37/540716237.db2.gz	IZYJXQYLFMWTTO-SFHVURJKSA-N	1	1	374.481	2.485	20	30		FEEDMO
N#Cc1ccnc(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000065532996	541244137	/nfs/dbraw/zinc/24/41/37/541244137.db2.gz	SIHKNRTZHYIAMT-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000066196174	541289589	/nfs/dbraw/zinc/28/95/89/541289589.db2.gz	CMXZOEWGWYTICY-KRWDZBQOSA-N	1	1	357.502	2.116	20	30		FEEDMO
C[C@H](NC(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1)c1ccccc1	ZINC000066437825	541318297	/nfs/dbraw/zinc/31/82/97/541318297.db2.gz	AGQZYZRLZAOSPY-KRWDZBQOSA-N	1	1	363.465	2.343	20	30		FEEDMO
C[C@H](NC(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1)c1ccccc1	ZINC000066437825	541318300	/nfs/dbraw/zinc/31/83/00/541318300.db2.gz	AGQZYZRLZAOSPY-KRWDZBQOSA-N	1	1	363.465	2.343	20	30		FEEDMO
Cc1occc1C(=O)NC1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000066891653	541386931	/nfs/dbraw/zinc/38/69/31/541386931.db2.gz	TYRTVDZZFOQROH-VLIAUNLRSA-N	1	1	374.485	2.225	20	30		FEEDMO
CNC(=O)c1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)cc1	ZINC000066871594	541383752	/nfs/dbraw/zinc/38/37/52/541383752.db2.gz	POEMNSLUNJWTKJ-UHFFFAOYSA-N	1	1	352.413	2.379	20	30		FEEDMO
CNC(=O)c1ccc(C[NH+]2CCN(c3ccc(C#N)cc3F)CC2)cc1	ZINC000066873570	541385187	/nfs/dbraw/zinc/38/51/87/541385187.db2.gz	CKOFSXNCZQABOL-UHFFFAOYSA-N	1	1	352.413	2.379	20	30		FEEDMO
CC(C)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(N)=O	ZINC000067962951	541533920	/nfs/dbraw/zinc/53/39/20/541533920.db2.gz	IDKMMYZXLDWDOD-UHFFFAOYSA-N	1	1	362.499	2.270	20	30		FEEDMO
COCCOC[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000072796258	541866353	/nfs/dbraw/zinc/86/63/53/541866353.db2.gz	GAJSIWJJTBCTDK-NRGCRIOASA-N	1	1	365.518	2.291	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)o2)cc1	ZINC000075738817	542201126	/nfs/dbraw/zinc/20/11/26/542201126.db2.gz	KWUURGUILURSKJ-QGZVFWFLSA-N	1	1	365.437	2.443	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)o2)cc1	ZINC000075738817	542201131	/nfs/dbraw/zinc/20/11/31/542201131.db2.gz	KWUURGUILURSKJ-QGZVFWFLSA-N	1	1	365.437	2.443	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)o2)c1	ZINC000075738887	542201544	/nfs/dbraw/zinc/20/15/44/542201544.db2.gz	WBIAKRSMNVHJCM-QGZVFWFLSA-N	1	1	365.437	2.443	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)o2)c1	ZINC000075738887	542201547	/nfs/dbraw/zinc/20/15/47/542201547.db2.gz	WBIAKRSMNVHJCM-QGZVFWFLSA-N	1	1	365.437	2.443	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CC[N@H+](CC)C[C@H]3C)cc2C1=O	ZINC000076483343	542283941	/nfs/dbraw/zinc/28/39/41/542283941.db2.gz	DKHHIPRNRTUPLR-RDTXWAMCSA-N	1	1	369.465	2.271	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1	ZINC000076576076	542295658	/nfs/dbraw/zinc/29/56/58/542295658.db2.gz	DFNNRYJNRIODOM-ALOPSCKCSA-N	1	1	357.454	2.321	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH+]1CCN(c2ccccc2O)CC1	ZINC000077247079	542359309	/nfs/dbraw/zinc/35/93/09/542359309.db2.gz	XUJYAJGYVXAXDY-UHFFFAOYSA-N	1	1	353.422	2.473	20	30		FEEDMO
COc1ccccc1C[N@@H+](CCO)CCOc1ccc(C#N)cc1OC	ZINC000077280989	542362006	/nfs/dbraw/zinc/36/20/06/542362006.db2.gz	HHETZYIYXXITIR-UHFFFAOYSA-N	1	1	356.422	2.449	20	30		FEEDMO
COc1cc(C#N)ccc1OCCN1CCC[N@H+](C2CCOCC2)CC1	ZINC000077318420	542366524	/nfs/dbraw/zinc/36/65/24/542366524.db2.gz	SBGWFUAYCIVMCS-UHFFFAOYSA-N	1	1	359.470	2.132	20	30		FEEDMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NCCCCC#N)cc2)CC1	ZINC000079856628	542545708	/nfs/dbraw/zinc/54/57/08/542545708.db2.gz	DXUAKFPKDDHOMA-UHFFFAOYSA-N	1	1	371.485	2.209	20	30		FEEDMO
CC(C)[N@@H+](C)CC1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000081513169	542662412	/nfs/dbraw/zinc/66/24/12/542662412.db2.gz	RAOYJXYKBTZDEK-UHFFFAOYSA-N	1	1	363.527	2.384	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H](N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)C1=O	ZINC000083209619	542694761	/nfs/dbraw/zinc/69/47/61/542694761.db2.gz	SXLOBHNUWGUWMO-HZMVEIRTSA-N	1	1	356.495	2.141	20	30		FEEDMO
CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000088562258	542753176	/nfs/dbraw/zinc/75/31/76/542753176.db2.gz	DHSCAGCZVZRNOY-GOSISDBHSA-N	1	1	353.470	2.373	20	30		FEEDMO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1OC	ZINC000090462768	542785305	/nfs/dbraw/zinc/78/53/05/542785305.db2.gz	HATHKRVRPJQIFG-IAGOWNOFSA-N	1	1	360.454	2.243	20	30		FEEDMO
C=CCOc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1OC	ZINC000090462768	542785306	/nfs/dbraw/zinc/78/53/06/542785306.db2.gz	HATHKRVRPJQIFG-IAGOWNOFSA-N	1	1	360.454	2.243	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)CC1	ZINC000091589385	542814464	/nfs/dbraw/zinc/81/44/64/542814464.db2.gz	UVZWKWGPZSJOMI-LMNJBCLMSA-N	1	1	354.498	2.372	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)CC1	ZINC000091589385	542814466	/nfs/dbraw/zinc/81/44/66/542814466.db2.gz	UVZWKWGPZSJOMI-LMNJBCLMSA-N	1	1	354.498	2.372	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C(N)=O)O1	ZINC000092007998	542837058	/nfs/dbraw/zinc/83/70/58/542837058.db2.gz	NVJFBLQKWFUJEC-FOIQADDNSA-N	1	1	365.433	2.212	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C(N)=O)O1	ZINC000092007998	542837062	/nfs/dbraw/zinc/83/70/62/542837062.db2.gz	NVJFBLQKWFUJEC-FOIQADDNSA-N	1	1	365.433	2.212	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)CC1	ZINC000092616711	542875298	/nfs/dbraw/zinc/87/52/98/542875298.db2.gz	LMUVEQNIRDRNTG-FQEVSTJZSA-N	1	1	372.488	2.482	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)CC1	ZINC000092616711	542875301	/nfs/dbraw/zinc/87/53/01/542875301.db2.gz	LMUVEQNIRDRNTG-FQEVSTJZSA-N	1	1	372.488	2.482	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2c(F)cc(Br)cc2F)CC1	ZINC000094715650	542956270	/nfs/dbraw/zinc/95/62/70/542956270.db2.gz	NAWWNNSXXJCDKP-UHFFFAOYSA-N	1	1	358.186	2.445	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1	ZINC000103163903	543095888	/nfs/dbraw/zinc/09/58/88/543095888.db2.gz	UVYIBJAHZFQTTN-LJQANCHMSA-N	1	1	369.490	2.401	20	30		FEEDMO
CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000103477826	543111141	/nfs/dbraw/zinc/11/11/41/543111141.db2.gz	USEHIGQORFHIKR-JKSUJKDBSA-N	1	1	358.490	2.209	20	30		FEEDMO
CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000103477826	543111144	/nfs/dbraw/zinc/11/11/44/543111144.db2.gz	USEHIGQORFHIKR-JKSUJKDBSA-N	1	1	358.490	2.209	20	30		FEEDMO
C[N@@H+](CCN1CCN(C(=O)c2cccc(C#N)c2)CC1)Cc1ccccc1	ZINC000104437801	543131748	/nfs/dbraw/zinc/13/17/48/543131748.db2.gz	ZMTXQIQIYPHLGU-UHFFFAOYSA-N	1	1	362.477	2.448	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000104136466	543124353	/nfs/dbraw/zinc/12/43/53/543124353.db2.gz	ICYKBRDMHUOTLS-OAHLLOKOSA-N	1	1	366.469	2.320	20	30		FEEDMO
Cn1nnc2cc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)ccc21	ZINC000104221054	543126844	/nfs/dbraw/zinc/12/68/44/543126844.db2.gz	GFRIFNGUTLHOPP-UHFFFAOYSA-N	1	1	374.448	2.188	20	30		FEEDMO
Cn1nnc2cc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)ccc21	ZINC000104221054	543126846	/nfs/dbraw/zinc/12/68/46/543126846.db2.gz	GFRIFNGUTLHOPP-UHFFFAOYSA-N	1	1	374.448	2.188	20	30		FEEDMO
CC1(C)CN(CC(=O)N(CCC#N)CCC#N)CC[N@H+]1Cc1ccccc1	ZINC000104731700	543139971	/nfs/dbraw/zinc/13/99/71/543139971.db2.gz	RXOCAGKVIJHSFA-UHFFFAOYSA-N	1	1	367.497	2.239	20	30		FEEDMO
C[C@H](CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[N@H+](C)C1CC1	ZINC000105266110	543167305	/nfs/dbraw/zinc/16/73/05/543167305.db2.gz	ZMBMRJXHLYRCFH-QGZVFWFLSA-N	1	1	369.513	2.258	20	30		FEEDMO
C[C@H](CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[N@@H+](C)C1CC1	ZINC000105266110	543167307	/nfs/dbraw/zinc/16/73/07/543167307.db2.gz	ZMBMRJXHLYRCFH-QGZVFWFLSA-N	1	1	369.513	2.258	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@H]1CCCN1c1cccnn1	ZINC000106087087	543193431	/nfs/dbraw/zinc/19/34/31/543193431.db2.gz	ADWYXZMTABYDML-QGZVFWFLSA-N	1	1	364.453	2.278	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCCN1c1cccnn1	ZINC000106089598	543193645	/nfs/dbraw/zinc/19/36/45/543193645.db2.gz	OLSNVBDYCYCXLI-GOSISDBHSA-N	1	1	364.453	2.278	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C[C@H](C)O)C(C)C	ZINC000107042459	543259509	/nfs/dbraw/zinc/25/95/09/543259509.db2.gz	FPCRKHOMAFLLTL-AWEZNQCLSA-N	1	1	364.490	2.043	20	30		FEEDMO
N#Cc1cccc(NC(=O)CNc2ccccc2C[NH+]2CCOCC2)c1	ZINC000108428752	543289396	/nfs/dbraw/zinc/28/93/96/543289396.db2.gz	QAHQXRHXYKECHU-UHFFFAOYSA-N	1	1	350.422	2.441	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1)c1ccccc1	ZINC000109820041	543340702	/nfs/dbraw/zinc/34/07/02/543340702.db2.gz	VLWNMJVYLJWWCG-FQEVSTJZSA-N	1	1	370.497	2.120	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCCC[C@H]1CN1CCOCC1)c1ccccc1	ZINC000109820041	543340705	/nfs/dbraw/zinc/34/07/05/543340705.db2.gz	VLWNMJVYLJWWCG-FQEVSTJZSA-N	1	1	370.497	2.120	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2CC(N)=O)cc1	ZINC000110524466	543360327	/nfs/dbraw/zinc/36/03/27/543360327.db2.gz	DZYSYNGJAFTHOS-QGZVFWFLSA-N	1	1	372.469	2.062	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000111265166	543389741	/nfs/dbraw/zinc/38/97/41/543389741.db2.gz	OFPYSFZMIWSOCN-MSOLQXFVSA-N	1	1	370.497	2.397	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(CNS(=O)(=O)CCCC#N)cc2)C[C@H](C)O1	ZINC000111328148	543396911	/nfs/dbraw/zinc/39/69/11/543396911.db2.gz	IFBDEAOLSKIUGC-IYBDPMFKSA-N	1	1	365.499	2.019	20	30		FEEDMO
C[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)CN1CC[NH+](C)CC1	ZINC000111661165	543410778	/nfs/dbraw/zinc/41/07/78/543410778.db2.gz	PARKQAOTZGATPS-SFHVURJKSA-N	1	1	372.513	2.107	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000112700834	543458037	/nfs/dbraw/zinc/45/80/37/543458037.db2.gz	GKEJTYHJQMFGDE-MRXNPFEDSA-N	1	1	362.518	2.203	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000112700834	543458039	/nfs/dbraw/zinc/45/80/39/543458039.db2.gz	GKEJTYHJQMFGDE-MRXNPFEDSA-N	1	1	362.518	2.203	20	30		FEEDMO
C[N@@H+](CCNC(=O)C(=O)Nc1cccc(OCCCC#N)c1)C1CCCC1	ZINC000118132124	543647893	/nfs/dbraw/zinc/64/78/93/543647893.db2.gz	CICBMWZGUZUQDZ-UHFFFAOYSA-N	1	1	372.469	2.298	20	30		FEEDMO
O=C(C[N@@H+]1CCCC[C@H]1CO)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000123021066	543738187	/nfs/dbraw/zinc/73/81/87/543738187.db2.gz	YHTNTDKYPPSGIE-INIZCTEOSA-N	1	1	354.372	2.020	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1	ZINC000122240207	543704863	/nfs/dbraw/zinc/70/48/63/543704863.db2.gz	YLIAMATWQNUARK-UHFFFAOYSA-N	1	1	350.466	2.168	20	30		FEEDMO
COc1c(C)c[nH+]c(CN2CCC(N(C)c3cnc(C#N)cn3)CC2)c1C	ZINC000123736023	543779874	/nfs/dbraw/zinc/77/98/74/543779874.db2.gz	PIKZBKPEFWMVKQ-UHFFFAOYSA-N	1	1	366.469	2.470	20	30		FEEDMO
C=CCOc1cccc(C[NH+]2CCN(c3ncnc4c3cnn4C)CC2)c1	ZINC000124359233	543816480	/nfs/dbraw/zinc/81/64/80/543816480.db2.gz	OSMLIUHDIHSKRA-UHFFFAOYSA-N	1	1	364.453	2.250	20	30		FEEDMO
C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC(C)(C)CN1CCOCC1	ZINC000124093164	543799950	/nfs/dbraw/zinc/79/99/50/543799950.db2.gz	CSBRVAUEDVHKNG-UHFFFAOYSA-N	1	1	369.469	2.398	20	30		FEEDMO
C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC(C)(C)CN1CCOCC1	ZINC000124093164	543799954	/nfs/dbraw/zinc/79/99/54/543799954.db2.gz	CSBRVAUEDVHKNG-UHFFFAOYSA-N	1	1	369.469	2.398	20	30		FEEDMO
CN(Cc1nnc(-c2ccc(C#N)cc2)o1)CC(C)(C)C[NH+]1CCOCC1	ZINC000124093164	543799958	/nfs/dbraw/zinc/79/99/58/543799958.db2.gz	CSBRVAUEDVHKNG-UHFFFAOYSA-N	1	1	369.469	2.398	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000125853424	543905958	/nfs/dbraw/zinc/90/59/58/543905958.db2.gz	HEXJCYNZKANGHR-PKOBYXMFSA-N	1	1	352.438	2.296	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000125853424	543905960	/nfs/dbraw/zinc/90/59/60/543905960.db2.gz	HEXJCYNZKANGHR-PKOBYXMFSA-N	1	1	352.438	2.296	20	30		FEEDMO
C[N@@H+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C2(CCCCC2)C1	ZINC000125999143	543912887	/nfs/dbraw/zinc/91/28/87/543912887.db2.gz	AALJZHLTJUGNGR-UHFFFAOYSA-N	1	1	369.437	2.475	20	30		FEEDMO
C[N@H+]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)C2(CCCCC2)C1	ZINC000125999143	543912889	/nfs/dbraw/zinc/91/28/89/543912889.db2.gz	AALJZHLTJUGNGR-UHFFFAOYSA-N	1	1	369.437	2.475	20	30		FEEDMO
C#CCOCCC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1	ZINC000127342781	543987286	/nfs/dbraw/zinc/98/72/86/543987286.db2.gz	DKDIESVBCIJITG-UHFFFAOYSA-N	1	1	367.449	2.462	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1	ZINC000127455421	543994089	/nfs/dbraw/zinc/99/40/89/543994089.db2.gz	ZKQGUDBRNQDICN-MAUKXSAKSA-N	1	1	356.470	2.341	20	30		FEEDMO
C[N@@H+](CCc1cccc(NC(=O)C(=O)N(CCC#N)CC2CC2)c1)C1CC1	ZINC000132821838	544245006	/nfs/dbraw/zinc/24/50/06/544245006.db2.gz	INVMPVLWPVYEDS-UHFFFAOYSA-N	1	1	368.481	2.414	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@H](CO)C(C)(C)C	ZINC000134397861	544306713	/nfs/dbraw/zinc/30/67/13/544306713.db2.gz	JIPKLKCIQNTOCH-MRXNPFEDSA-N	1	1	355.442	2.021	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3CCC(C)C)CC2)o1	ZINC000135315486	544341623	/nfs/dbraw/zinc/34/16/23/544341623.db2.gz	RBNCFBPAGDMKGG-QGZVFWFLSA-N	1	1	373.501	2.404	20	30		FEEDMO
COC(=O)[C@H](O)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000135384918	544345007	/nfs/dbraw/zinc/34/50/07/544345007.db2.gz	OUVPFOXFQCZSFM-MRXNPFEDSA-N	1	1	371.355	2.183	20	30		FEEDMO
CCN(CC)C(=O)CN1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000135937187	544363880	/nfs/dbraw/zinc/36/38/80/544363880.db2.gz	NKAOESGZXAEUBK-UHFFFAOYSA-N	1	1	371.529	2.022	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)C1CC1	ZINC000137278115	544388010	/nfs/dbraw/zinc/38/80/10/544388010.db2.gz	ZAGGPSXLCJERSP-FQEVSTJZSA-N	1	1	354.454	2.146	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2CC(=O)Nc2cccc(C#N)c2)C[C@@H](C)O1	ZINC000139096692	544400039	/nfs/dbraw/zinc/40/00/39/544400039.db2.gz	HAGNOHSBMYJALE-MDZRGWNJSA-N	1	1	356.470	2.070	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2ccc(C#N)nc2)cc1	ZINC000152209980	544626125	/nfs/dbraw/zinc/62/61/25/544626125.db2.gz	IRTOZBAPKSEJHU-ZDUSSCGKSA-N	1	1	367.434	2.487	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000152521035	544664159	/nfs/dbraw/zinc/66/41/59/544664159.db2.gz	VJGMKKVREHFMRJ-AWEZNQCLSA-N	1	1	353.426	2.172	20	30		FEEDMO
CCC[C@@H](NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000153311387	544759596	/nfs/dbraw/zinc/75/95/96/544759596.db2.gz	KMMLBKRHHSLXKX-QGZVFWFLSA-N	1	1	368.485	2.386	20	30		FEEDMO
C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153325952	544761433	/nfs/dbraw/zinc/76/14/33/544761433.db2.gz	BFKUEUXDAIXQPJ-GFCCVEGCSA-N	1	1	374.876	2.086	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CN(c3c(C#N)cnc4ccc(OC(F)F)cc43)C[C@@H]21	ZINC000153137579	544738335	/nfs/dbraw/zinc/73/83/35/544738335.db2.gz	IQEBICRNCIGPRW-JKSUJKDBSA-N	1	1	360.364	2.227	20	30		FEEDMO
C[C@H](O)C[C@@H]1CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000153162069	544741275	/nfs/dbraw/zinc/74/12/75/544741275.db2.gz	WYXOMQLPXNFCQI-YOEHRIQHSA-N	1	1	368.399	2.408	20	30		FEEDMO
C#CCSCCNC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1	ZINC000154268042	544884333	/nfs/dbraw/zinc/88/43/33/544884333.db2.gz	XFPCPGPIUGTLFB-UHFFFAOYSA-N	1	1	364.515	2.169	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000155197410	545000558	/nfs/dbraw/zinc/00/05/58/545000558.db2.gz	WKMCLJJSASMSFJ-NSHDSACASA-N	1	1	374.304	2.329	20	30		FEEDMO
C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000552472203	674211235	/nfs/dbraw/zinc/21/12/35/674211235.db2.gz	BNLVHESAZZDRKX-GFCCVEGCSA-N	1	1	367.902	2.269	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cccc(F)c2C#N)CC1	ZINC000188875489	328115368	/nfs/dbraw/zinc/11/53/68/328115368.db2.gz	XXJLQYLULYGXSL-IYBDPMFKSA-N	1	1	358.461	2.328	20	30		FEEDMO
N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1O	ZINC000192231103	328308054	/nfs/dbraw/zinc/30/80/54/328308054.db2.gz	FYFLVOARQVHKHE-IBGZPJMESA-N	1	1	365.433	2.285	20	30		FEEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000193163353	328360588	/nfs/dbraw/zinc/36/05/88/328360588.db2.gz	SSVYHPWLJWCETD-MRXNPFEDSA-N	1	1	373.501	2.386	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](CC3CCC3)C(C)C)CC2)o1	ZINC000193201036	328362123	/nfs/dbraw/zinc/36/21/23/328362123.db2.gz	IWATZZOLTXQPBJ-UHFFFAOYSA-N	1	1	359.474	2.014	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc(C#N)cn3C)c2)CCO1	ZINC000081713923	325193421	/nfs/dbraw/zinc/19/34/21/325193421.db2.gz	QHVDLEVASVEDNF-OAHLLOKOSA-N	1	1	352.438	2.047	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc(C#N)cn3C)c2)CCO1	ZINC000081713923	325193425	/nfs/dbraw/zinc/19/34/25/325193425.db2.gz	QHVDLEVASVEDNF-OAHLLOKOSA-N	1	1	352.438	2.047	20	30		FEEDMO
C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104714242	325543177	/nfs/dbraw/zinc/54/31/77/325543177.db2.gz	OUSZRWSFJGMKRC-AWEZNQCLSA-N	1	1	372.469	2.414	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)c1	ZINC000119319197	326148760	/nfs/dbraw/zinc/14/87/60/326148760.db2.gz	IDDRLCAWPMFACT-UHFFFAOYSA-N	1	1	365.437	2.172	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c(C#N)c1C	ZINC000119390444	326156662	/nfs/dbraw/zinc/15/66/62/326156662.db2.gz	XTWIQCWGGPQWFO-HIFRSBDPSA-N	1	1	356.430	2.099	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Cn3ccnn3)C2)c(C#N)c1C	ZINC000119390444	326156663	/nfs/dbraw/zinc/15/66/63/326156663.db2.gz	XTWIQCWGGPQWFO-HIFRSBDPSA-N	1	1	356.430	2.099	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1CCCC[C@@H]1C	ZINC000120152096	326235256	/nfs/dbraw/zinc/23/52/56/326235256.db2.gz	PJPVJNOTSNERMA-MAUKXSAKSA-N	1	1	373.501	2.404	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000122028845	326381148	/nfs/dbraw/zinc/38/11/48/326381148.db2.gz	BMPSOCAVYGNRLA-WBMJQRKESA-N	1	1	360.845	2.093	20	30		FEEDMO
COc1cccc([C@@H](CNS(=O)(=O)c2cccc(C)c2C#N)[NH+](C)C)c1	ZINC000156160577	326819775	/nfs/dbraw/zinc/81/97/75/326819775.db2.gz	OPKIOBXOTQVCAO-GOSISDBHSA-N	1	1	373.478	2.457	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)[C@H](C)CO)c1C#N	ZINC000163184646	327044969	/nfs/dbraw/zinc/04/49/69/327044969.db2.gz	XDLGUWGHNOXRKQ-GFCCVEGCSA-N	1	1	358.417	2.356	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)[C@H](C)CO)c1C#N	ZINC000163184646	327044972	/nfs/dbraw/zinc/04/49/72/327044972.db2.gz	XDLGUWGHNOXRKQ-GFCCVEGCSA-N	1	1	358.417	2.356	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)[C@@H](C)CO)c1C#N	ZINC000163184523	327044996	/nfs/dbraw/zinc/04/49/96/327044996.db2.gz	XDLGUWGHNOXRKQ-LBPRGKRZSA-N	1	1	358.417	2.356	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)[C@@H](C)CO)c1C#N	ZINC000163184523	327044997	/nfs/dbraw/zinc/04/49/97/327044997.db2.gz	XDLGUWGHNOXRKQ-LBPRGKRZSA-N	1	1	358.417	2.356	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)C[NH+]1CCOCC1	ZINC000163317917	327048801	/nfs/dbraw/zinc/04/88/01/327048801.db2.gz	IZVSFMXLNZWYRX-QGZVFWFLSA-N	1	1	358.486	2.448	20	30		FEEDMO
CCc1ccc([C@H](CNS(=O)(=O)c2ccc(C#N)nc2)[NH+](C)C)cc1	ZINC000170655537	327091434	/nfs/dbraw/zinc/09/14/34/327091434.db2.gz	BIXAKUNXJCPJNG-SFHVURJKSA-N	1	1	358.467	2.097	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000171623955	327149095	/nfs/dbraw/zinc/14/90/95/327149095.db2.gz	JJJVOZWALGWZKG-HOCLYGCPSA-N	1	1	364.453	2.303	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000171623955	327149096	/nfs/dbraw/zinc/14/90/96/327149096.db2.gz	JJJVOZWALGWZKG-HOCLYGCPSA-N	1	1	364.453	2.303	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](n2cncn2)C1	ZINC000171702449	327155917	/nfs/dbraw/zinc/15/59/17/327155917.db2.gz	ZDQQVHQHFMNABJ-DOMZBBRYSA-N	1	1	358.833	2.467	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](n2cncn2)C1	ZINC000171702449	327155918	/nfs/dbraw/zinc/15/59/18/327155918.db2.gz	ZDQQVHQHFMNABJ-DOMZBBRYSA-N	1	1	358.833	2.467	20	30		FEEDMO
COCC[N@@H+](CCn1cnc2ccccc2c1=O)Cc1ccc(C#N)cc1	ZINC000172245734	327189613	/nfs/dbraw/zinc/18/96/13/327189613.db2.gz	SIWWCPONYVBMSZ-UHFFFAOYSA-N	1	1	362.433	2.417	20	30		FEEDMO
CC[C@]1(C)CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000173779331	327283571	/nfs/dbraw/zinc/28/35/71/327283571.db2.gz	VLVXKQCHMQARMO-LJQANCHMSA-N	1	1	359.474	2.015	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)NCc1cc(C#N)ccc1F)[NH+]1CCOCC1	ZINC000174863972	327356032	/nfs/dbraw/zinc/35/60/32/327356032.db2.gz	YRCVTIQMZQMMMX-QGZVFWFLSA-N	1	1	362.449	2.243	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1	ZINC000175102902	327374424	/nfs/dbraw/zinc/37/44/24/327374424.db2.gz	WGWCPDAGWBISNR-CQSZACIVSA-N	1	1	366.421	2.464	20	30		FEEDMO
C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(S(C)(=O)=O)cc1	ZINC000265919767	329172844	/nfs/dbraw/zinc/17/28/44/329172844.db2.gz	ZUSHQSKCAIMESS-UHFFFAOYSA-N	1	1	371.462	2.422	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(S(C)(=O)=O)cc1	ZINC000265919767	329172846	/nfs/dbraw/zinc/17/28/46/329172846.db2.gz	ZUSHQSKCAIMESS-UHFFFAOYSA-N	1	1	371.462	2.422	20	30		FEEDMO
CC(=O)NCC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000554289453	674311242	/nfs/dbraw/zinc/31/12/42/674311242.db2.gz	CLADQXRZKXYCED-AWEZNQCLSA-N	1	1	362.861	2.388	20	30		FEEDMO
CC(=O)NCC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000554289453	674311245	/nfs/dbraw/zinc/31/12/45/674311245.db2.gz	CLADQXRZKXYCED-AWEZNQCLSA-N	1	1	362.861	2.388	20	30		FEEDMO
C#C[C@@H](NC(=O)N[C@H]1CC[N@H+](CCOC)C1)c1ccc(Cl)cc1F	ZINC000805136226	674321811	/nfs/dbraw/zinc/32/18/11/674321811.db2.gz	AWQYRMQCQOCMKJ-XJKSGUPXSA-N	1	1	353.825	2.173	20	30		FEEDMO
C#C[C@H](NC(=O)NCc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)cc1F	ZINC000805187504	674325000	/nfs/dbraw/zinc/32/50/00/674325000.db2.gz	OTDGHSYADWSLKJ-HNNXBMFYSA-N	1	1	363.824	2.452	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H](C(=O)OCC[NH+]3CCSCC3)C2)c(F)c1	ZINC000805590646	674346618	/nfs/dbraw/zinc/34/66/18/674346618.db2.gz	FZQZKIZHXULULZ-OAHLLOKOSA-N	1	1	363.458	2.116	20	30		FEEDMO
CNC(=O)OC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N	ZINC000805825399	674355824	/nfs/dbraw/zinc/35/58/24/674355824.db2.gz	SZYJFKPSEIZDMF-ZDUSSCGKSA-N	1	1	350.444	2.159	20	30		FEEDMO
C=CCc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000555566209	674367003	/nfs/dbraw/zinc/36/70/03/674367003.db2.gz	IFBJGSAIYRNCGE-GRDNDAEWSA-N	1	1	350.415	2.172	20	30		FEEDMO
N#Cc1cccc(OCCC[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c1	ZINC000156590834	545638185	/nfs/dbraw/zinc/63/81/85/545638185.db2.gz	HBTITVTTYZKSME-HXUWFJFHSA-N	1	1	371.481	2.431	20	30		FEEDMO
CCc1ccc(C[NH+]2CCN(CC(=O)N(CC)C[C@@H](C)C#N)CC2)s1	ZINC000156813937	545664240	/nfs/dbraw/zinc/66/42/40/545664240.db2.gz	YAPYKRXWLIPCNY-INIZCTEOSA-N	1	1	362.543	2.436	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)CC1CCN(c2ccccn2)CC1	ZINC000160043998	546002971	/nfs/dbraw/zinc/00/29/71/546002971.db2.gz	PZAJYZPLBYNNDX-MRXNPFEDSA-N	1	1	373.501	2.020	20	30		FEEDMO
N#Cc1cccc(/C=C/C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1	ZINC000160588235	546054980	/nfs/dbraw/zinc/05/49/80/546054980.db2.gz	MIQAVCYYQOYODJ-XMHHWPDXSA-N	1	1	361.445	2.323	20	30		FEEDMO
CC(C)(C)[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)C(N)=O	ZINC000162807298	546141659	/nfs/dbraw/zinc/14/16/59/546141659.db2.gz	YGQJUIQQFPRLOX-HNNXBMFYSA-N	1	1	350.850	2.076	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)nc2Cl)CC1	ZINC000171536640	546213134	/nfs/dbraw/zinc/21/31/34/546213134.db2.gz	ZZELKQDEYQKHJQ-UHFFFAOYSA-N	1	1	350.271	2.317	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccn(CCC#N)n1	ZINC000173380211	546280459	/nfs/dbraw/zinc/28/04/59/546280459.db2.gz	MMBVRGPKFMLCLS-WBVHZDCISA-N	1	1	367.457	2.224	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(c2nc(C)ns2)CC1	ZINC000174171106	546292517	/nfs/dbraw/zinc/29/25/17/546292517.db2.gz	LKWKOMVXSMOBNM-CQSZACIVSA-N	1	1	351.520	2.172	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(c2nc(C)ns2)CC1	ZINC000174171106	546292519	/nfs/dbraw/zinc/29/25/19/546292519.db2.gz	LKWKOMVXSMOBNM-CQSZACIVSA-N	1	1	351.520	2.172	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)c1C	ZINC000175201523	546307096	/nfs/dbraw/zinc/30/70/96/546307096.db2.gz	QIPOFTNVUBNZRN-QGZVFWFLSA-N	1	1	356.470	2.138	20	30		FEEDMO
CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2C#N)c1	ZINC000175992261	546386297	/nfs/dbraw/zinc/38/62/97/546386297.db2.gz	MURCERMSXOSCBI-UHFFFAOYSA-N	1	1	368.412	2.404	20	30		FEEDMO
C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2cc(C#N)cn2C)C[C@@H](C)O1	ZINC000176738644	546481409	/nfs/dbraw/zinc/48/14/09/546481409.db2.gz	NZAZYULNCARCJW-HZPDHXFCSA-N	1	1	366.465	2.436	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)NCC[N@@H+](C)Cc1ccc(F)cc1	ZINC000176916481	546508103	/nfs/dbraw/zinc/50/81/03/546508103.db2.gz	PAKOXOWXVRAIKA-UHFFFAOYSA-N	1	1	361.442	2.416	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)NCC[N@H+](C)Cc1ccc(F)cc1	ZINC000176916481	546508106	/nfs/dbraw/zinc/50/81/06/546508106.db2.gz	PAKOXOWXVRAIKA-UHFFFAOYSA-N	1	1	361.442	2.416	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000177738817	546677259	/nfs/dbraw/zinc/67/72/59/546677259.db2.gz	WOJNAGLEVKGGFI-KRWDZBQOSA-N	1	1	356.470	2.241	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000481132560	561225884	/nfs/dbraw/zinc/22/58/84/561225884.db2.gz	XKEVSYTVPAMXTM-ZWKOTPCHSA-N	1	1	357.498	2.438	20	30		FEEDMO
N#CCc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1	ZINC000178441297	546794984	/nfs/dbraw/zinc/79/49/84/546794984.db2.gz	UAKHJLJEPZRDOF-NHCUHLMSSA-N	1	1	363.461	2.365	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Cl)cc2C(=O)OC)CC1	ZINC000178986253	546883778	/nfs/dbraw/zinc/88/37/78/546883778.db2.gz	IDAPALVFNGCJLV-UHFFFAOYSA-N	1	1	372.874	2.055	20	30		FEEDMO
N#Cc1ccccc1/C=C/C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1	ZINC000179486161	546963389	/nfs/dbraw/zinc/96/33/89/546963389.db2.gz	AEFLCALIIUISLQ-VRDGUJSXSA-N	1	1	361.445	2.323	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH2+][C@@H](CN2CCCC2=O)c2ccccc2)cc1	ZINC000179560536	546976823	/nfs/dbraw/zinc/97/68/23/546976823.db2.gz	BGNZLKAEDHKVRP-IBGZPJMESA-N	1	1	362.433	2.450	20	30		FEEDMO
COc1ccc(C[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](CO)C(C)C)cc1	ZINC000179926742	547030041	/nfs/dbraw/zinc/03/00/41/547030041.db2.gz	AZWBHYKGOFQMNK-CTNGQTDRSA-N	1	1	373.497	2.323	20	30		FEEDMO
COc1ccnc(N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)n1	ZINC000180015110	547039169	/nfs/dbraw/zinc/03/91/69/547039169.db2.gz	ASWSYMKVMFHSBC-UHFFFAOYSA-N	1	1	366.469	2.157	20	30		FEEDMO
CC(C)[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)N1CC[NH+](C)CC1	ZINC000180081912	547048511	/nfs/dbraw/zinc/04/85/11/547048511.db2.gz	NTOFQUJCDSLQRE-WMZOPIPTSA-N	1	1	373.501	2.371	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000180405858	547102675	/nfs/dbraw/zinc/10/26/75/547102675.db2.gz	UAGUBZPGFRKHKX-GDBMZVCRSA-N	1	1	354.454	2.266	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000181091893	547248028	/nfs/dbraw/zinc/24/80/28/547248028.db2.gz	FJVYPEGRCDZLDF-KRWDZBQOSA-N	1	1	364.534	2.317	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000181286283	547286213	/nfs/dbraw/zinc/28/62/13/547286213.db2.gz	NFFQOBQTQJQKAD-KRWDZBQOSA-N	1	1	366.469	2.413	20	30		FEEDMO
C=CCNC(=O)CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1	ZINC000181729488	547369580	/nfs/dbraw/zinc/36/95/80/547369580.db2.gz	AMQWMMCMRKQCBM-UHFFFAOYSA-N	1	1	351.450	2.351	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(=O)N(C)C)CC1	ZINC000181964555	547414777	/nfs/dbraw/zinc/41/47/77/547414777.db2.gz	UKTSAHADFHDNTQ-MRXNPFEDSA-N	1	1	356.470	2.122	20	30		FEEDMO
C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nnc2ccccn21	ZINC000182673432	547531059	/nfs/dbraw/zinc/53/10/59/547531059.db2.gz	OQAUPOZBRMYWRU-YOEHRIQHSA-N	1	1	360.421	2.447	20	30		FEEDMO
CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182735301	547543270	/nfs/dbraw/zinc/54/32/70/547543270.db2.gz	VYXVJLPWKHJROV-IEBWSBKVSA-N	1	1	368.481	2.434	20	30		FEEDMO
CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182735301	547543275	/nfs/dbraw/zinc/54/32/75/547543275.db2.gz	VYXVJLPWKHJROV-IEBWSBKVSA-N	1	1	368.481	2.434	20	30		FEEDMO
N#Cc1ccc(CN2CCC([NH2+]Cc3nnc4n3CCCC4)CC2)cc1	ZINC000183868899	547731274	/nfs/dbraw/zinc/73/12/74/547731274.db2.gz	QXMQJKCLAPCQHC-UHFFFAOYSA-N	1	1	350.470	2.240	20	30		FEEDMO
C=CC[N@@H+](CCOC)CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C	ZINC000484677108	561303179	/nfs/dbraw/zinc/30/31/79/561303179.db2.gz	GYNPPWIEFWZFNI-FQEVSTJZSA-N	1	1	362.470	2.406	20	30		FEEDMO
C=CC[N@H+](CCOC)CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C	ZINC000484677108	561303180	/nfs/dbraw/zinc/30/31/80/561303180.db2.gz	GYNPPWIEFWZFNI-FQEVSTJZSA-N	1	1	362.470	2.406	20	30		FEEDMO
CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc(C#N)nc1	ZINC000184333604	547808991	/nfs/dbraw/zinc/80/89/91/547808991.db2.gz	QKVGVEGRUOYACK-IBGZPJMESA-N	1	1	372.494	2.388	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000185227991	547955356	/nfs/dbraw/zinc/95/53/56/547955356.db2.gz	QHSTWCGEQOXZOP-UHFFFAOYSA-N	1	1	361.389	2.292	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1	ZINC000187347416	548256415	/nfs/dbraw/zinc/25/64/15/548256415.db2.gz	UEEZSFPBCOURNN-KRWDZBQOSA-N	1	1	371.481	2.265	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1	ZINC000189162191	548297609	/nfs/dbraw/zinc/29/76/09/548297609.db2.gz	DQIPLTMJUMBTQM-JKSUJKDBSA-N	1	1	372.469	2.026	20	30		FEEDMO
COCCO[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000189659389	548308324	/nfs/dbraw/zinc/30/83/24/548308324.db2.gz	LZYRYQFDOCYBPO-ISXWCOSWSA-N	1	1	351.491	2.043	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000190074180	548316561	/nfs/dbraw/zinc/31/65/61/548316561.db2.gz	AWTGBWBJXOOBJC-RHSMWYFYSA-N	1	1	354.454	2.121	20	30		FEEDMO
CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCC(=O)N(C)CCC#N)n1	ZINC000191448416	548345064	/nfs/dbraw/zinc/34/50/64/548345064.db2.gz	UOVXIJZYVBYGPX-CQSZACIVSA-N	1	1	364.471	2.219	20	30		FEEDMO
CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCC(=O)N(C)CCC#N)n1	ZINC000191448416	548345069	/nfs/dbraw/zinc/34/50/69/548345069.db2.gz	UOVXIJZYVBYGPX-CQSZACIVSA-N	1	1	364.471	2.219	20	30		FEEDMO
C[N@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)[C@H](c2ccccc2)C1	ZINC000194732112	548522466	/nfs/dbraw/zinc/52/24/66/548522466.db2.gz	JQCOBZZZVHTLHV-FPOVZHCZSA-N	1	1	351.450	2.287	20	30		FEEDMO
CN1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@H](c2ccccc2)C1	ZINC000194732112	548522477	/nfs/dbraw/zinc/52/24/77/548522477.db2.gz	JQCOBZZZVHTLHV-FPOVZHCZSA-N	1	1	351.450	2.287	20	30		FEEDMO
CN1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@H](c2ccccc2)C1	ZINC000194732112	548522481	/nfs/dbraw/zinc/52/24/81/548522481.db2.gz	JQCOBZZZVHTLHV-FPOVZHCZSA-N	1	1	351.450	2.287	20	30		FEEDMO
N#Cc1ccc(C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C2CC2)cc1	ZINC000194962614	548556497	/nfs/dbraw/zinc/55/64/97/548556497.db2.gz	JUDKIDDUAJYFAW-UHFFFAOYSA-N	1	1	371.462	2.249	20	30		FEEDMO
CCOc1cccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1	ZINC000486884871	561358942	/nfs/dbraw/zinc/35/89/42/561358942.db2.gz	KDXKYHLVHFYIAQ-GOSISDBHSA-N	1	1	350.422	2.243	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](CCC(N)=O)C3)C2=O)cc1	ZINC000245516024	548936943	/nfs/dbraw/zinc/93/69/43/548936943.db2.gz	FKISOTVOHCMGHI-FUHWJXTLSA-N	1	1	354.454	2.031	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](C4OCCO4)C3)C2=O)cc1	ZINC000245532558	548940743	/nfs/dbraw/zinc/94/07/43/548940743.db2.gz	USZUPTUWCNGAQH-SJLPKXTDSA-N	1	1	355.438	2.139	20	30		FEEDMO
N#Cc1cccc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)c1	ZINC000245545333	548942808	/nfs/dbraw/zinc/94/28/08/548942808.db2.gz	CFMMAJFIGAVFFC-RBUKOAKNSA-N	1	1	350.422	2.315	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)cc1	ZINC000245582478	548951497	/nfs/dbraw/zinc/95/14/97/548951497.db2.gz	CYUHXLORCFLQCH-QFBILLFUSA-N	1	1	366.465	2.362	20	30		FEEDMO
C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)C[C@@H](C)O1	ZINC000246090617	549049983	/nfs/dbraw/zinc/04/99/83/549049983.db2.gz	GGKMXPJMHGUNHI-ZHALLVOQSA-N	1	1	370.497	2.460	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCc3ccccc3C2)CC1	ZINC000246113899	549055583	/nfs/dbraw/zinc/05/55/83/549055583.db2.gz	PWXRWXVMWKKQGQ-SFTDATJTSA-N	1	1	368.525	2.168	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)C[C@@H](O)COCc1ccccc1	ZINC000246313980	549103496	/nfs/dbraw/zinc/10/34/96/549103496.db2.gz	DPZJLVDHXIUYSF-OXQOHEQNSA-N	1	1	367.449	2.395	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)COCc1ccccc1	ZINC000246313980	549103498	/nfs/dbraw/zinc/10/34/98/549103498.db2.gz	DPZJLVDHXIUYSF-OXQOHEQNSA-N	1	1	367.449	2.395	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)C[C@@H](O)COCc1ccccc1	ZINC000246407185	549127187	/nfs/dbraw/zinc/12/71/87/549127187.db2.gz	RINMDEZIMQTISJ-VQIMIIECSA-N	1	1	367.449	2.395	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H](O)COCc1ccccc1	ZINC000246407185	549127192	/nfs/dbraw/zinc/12/71/92/549127192.db2.gz	RINMDEZIMQTISJ-VQIMIIECSA-N	1	1	367.449	2.395	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000246416173	549127978	/nfs/dbraw/zinc/12/79/78/549127978.db2.gz	KIGVSIGJBLSDQF-CVEARBPZSA-N	1	1	374.510	2.353	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000246416173	549127983	/nfs/dbraw/zinc/12/79/83/549127983.db2.gz	KIGVSIGJBLSDQF-CVEARBPZSA-N	1	1	374.510	2.353	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](OCCO)C2)c1	ZINC000246696216	549191244	/nfs/dbraw/zinc/19/12/44/549191244.db2.gz	DJFKDBJKFQKCDE-UYAOXDASSA-N	1	1	373.497	2.412	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](OCCO)C2)c1	ZINC000246696216	549191247	/nfs/dbraw/zinc/19/12/47/549191247.db2.gz	DJFKDBJKFQKCDE-UYAOXDASSA-N	1	1	373.497	2.412	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC[C@H]21	ZINC000246832742	549224625	/nfs/dbraw/zinc/22/46/25/549224625.db2.gz	BTOPUOIAJNHKPN-XJKSGUPXSA-N	1	1	353.875	2.316	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c(C#N)c1C	ZINC000246903284	549238717	/nfs/dbraw/zinc/23/87/17/549238717.db2.gz	XTWIQCWGGPQWFO-UKRRQHHQSA-N	1	1	356.430	2.099	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c(C#N)c1C	ZINC000246903284	549238719	/nfs/dbraw/zinc/23/87/19/549238719.db2.gz	XTWIQCWGGPQWFO-UKRRQHHQSA-N	1	1	356.430	2.099	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1	ZINC000246984306	549257918	/nfs/dbraw/zinc/25/79/18/549257918.db2.gz	JRQQFSXLHZLUNI-SJLPKXTDSA-N	1	1	359.470	2.110	20	30		FEEDMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cn3ccccc3c2C#N)C1	ZINC000247879486	549388255	/nfs/dbraw/zinc/38/82/55/549388255.db2.gz	PLTGDROPBRMJDE-HZPDHXFCSA-N	1	1	354.454	2.174	20	30		FEEDMO
CC(C)[C@@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC[N@H+]1C	ZINC000489372090	561409274	/nfs/dbraw/zinc/40/92/74/561409274.db2.gz	KXEZWJUMCHTBJA-SFHVURJKSA-N	1	1	356.470	2.466	20	30		FEEDMO
C=C(C)CS(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000248831911	549509409	/nfs/dbraw/zinc/50/94/09/549509409.db2.gz	INVTYIOQXABVLT-MSOLQXFVSA-N	1	1	350.484	2.469	20	30		FEEDMO
C=C(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000248831911	549509412	/nfs/dbraw/zinc/50/94/12/549509412.db2.gz	INVTYIOQXABVLT-MSOLQXFVSA-N	1	1	350.484	2.469	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000249117914	549555564	/nfs/dbraw/zinc/55/55/64/549555564.db2.gz	BMPSOCAVYGNRLA-BLLLJJGKSA-N	1	1	360.845	2.093	20	30		FEEDMO
C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)N(C)CCC#N	ZINC000249296892	549577924	/nfs/dbraw/zinc/57/79/24/549577924.db2.gz	NBRNFQIJMFRVKR-WGMWDUQUSA-N	1	1	356.514	2.495	20	30		FEEDMO
Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)n1	ZINC000249687483	549614955	/nfs/dbraw/zinc/61/49/55/549614955.db2.gz	RPKULIOJRSUVOI-OXJNMPFZSA-N	1	1	371.485	2.095	20	30		FEEDMO
Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)n1	ZINC000249687483	549614958	/nfs/dbraw/zinc/61/49/58/549614958.db2.gz	RPKULIOJRSUVOI-OXJNMPFZSA-N	1	1	371.485	2.095	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000249838306	549632839	/nfs/dbraw/zinc/63/28/39/549632839.db2.gz	XVFIQNWYQXGEKX-JSGCOSHPSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000249838306	549632842	/nfs/dbraw/zinc/63/28/42/549632842.db2.gz	XVFIQNWYQXGEKX-JSGCOSHPSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000249838309	549632947	/nfs/dbraw/zinc/63/29/47/549632947.db2.gz	XVFIQNWYQXGEKX-OCCSQVGLSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000249838309	549632951	/nfs/dbraw/zinc/63/29/51/549632951.db2.gz	XVFIQNWYQXGEKX-OCCSQVGLSA-N	1	1	362.861	2.387	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000250485326	549642833	/nfs/dbraw/zinc/64/28/33/549642833.db2.gz	KVOUWBUQTCPQMC-YTQUADARSA-N	1	1	373.497	2.315	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1	ZINC000250671163	549643924	/nfs/dbraw/zinc/64/39/24/549643924.db2.gz	XHJAYNZGPCFRHK-CVEARBPZSA-N	1	1	359.470	2.427	20	30		FEEDMO
C[NH+]=C(N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)NC1CCN(Cc2ccccn2)CC1	ZINC000262389644	549816036	/nfs/dbraw/zinc/81/60/36/549816036.db2.gz	LYKFUTNQJYBULR-GUDVDZBRSA-N	1	1	371.529	2.025	20	30		FEEDMO
CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000263660539	549914822	/nfs/dbraw/zinc/91/48/22/549914822.db2.gz	AUCWZFXJIMDDQU-KRWDZBQOSA-N	1	1	356.470	2.371	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000263775076	549935160	/nfs/dbraw/zinc/93/51/60/549935160.db2.gz	KRMGPNFUDLHSAL-INIZCTEOSA-N	1	1	356.470	2.059	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](CC(N)=O)C1	ZINC000266925005	550025859	/nfs/dbraw/zinc/02/58/59/550025859.db2.gz	KAFHQEKRDXAENB-CABCVRRESA-N	1	1	360.433	2.048	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)ccc1OCC#N	ZINC000268221150	550038008	/nfs/dbraw/zinc/03/80/08/550038008.db2.gz	LYCZXGGHCOYYJF-NRBJAHEWSA-N	1	1	355.438	2.210	20	30		FEEDMO
COCCOCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1	ZINC000268354591	550053532	/nfs/dbraw/zinc/05/35/32/550053532.db2.gz	RXUJBKBXESDTFU-HXUWFJFHSA-N	1	1	361.486	2.206	20	30		FEEDMO
COCCOCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1	ZINC000268354591	550053534	/nfs/dbraw/zinc/05/35/34/550053534.db2.gz	RXUJBKBXESDTFU-HXUWFJFHSA-N	1	1	361.486	2.206	20	30		FEEDMO
COc1ccc([C@@H](C#N)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)cc1	ZINC000492817532	561452933	/nfs/dbraw/zinc/45/29/33/561452933.db2.gz	KVHSRHYMFPQSKW-VQTJNVASSA-N	1	1	368.481	2.031	20	30		FEEDMO
C=CCOc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1OC	ZINC000269281601	550176034	/nfs/dbraw/zinc/17/60/34/550176034.db2.gz	AYHRBTYABLNYMO-KRWDZBQOSA-N	1	1	362.470	2.227	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1C#N	ZINC000269411852	550192432	/nfs/dbraw/zinc/19/24/32/550192432.db2.gz	ZWTAXRIZPDVACL-DLBZAZTESA-N	1	1	370.453	2.027	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCc2ccc(C#N)cc21	ZINC000270145194	550251917	/nfs/dbraw/zinc/25/19/17/550251917.db2.gz	FFQGDYWYEWVUNG-MRXNPFEDSA-N	1	1	368.481	2.218	20	30		FEEDMO
C#CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccccc1	ZINC000270370955	550266455	/nfs/dbraw/zinc/26/64/55/550266455.db2.gz	TXUAMKFBRRQNAJ-HXUWFJFHSA-N	1	1	356.514	2.418	20	30		FEEDMO
C#CC[C@@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1	ZINC000270370955	550266457	/nfs/dbraw/zinc/26/64/57/550266457.db2.gz	TXUAMKFBRRQNAJ-HXUWFJFHSA-N	1	1	356.514	2.418	20	30		FEEDMO
C=C(C)COc1cc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)ccc1OC	ZINC000271163490	550347437	/nfs/dbraw/zinc/34/74/37/550347437.db2.gz	GJQINNOXYXSNLL-MRXNPFEDSA-N	1	1	368.499	2.151	20	30		FEEDMO
Cc1cc(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)nn1CCC#N	ZINC000272138672	550424895	/nfs/dbraw/zinc/42/48/95/550424895.db2.gz	WBXFMHWRPUQQOB-GJZGRUSLSA-N	1	1	362.478	2.115	20	30		FEEDMO
C[C@@H](NC(=O)N1CCCN(c2ccccc2C#N)CC1)C1=CC[N@@H+](C)CC1	ZINC000272740149	550467801	/nfs/dbraw/zinc/46/78/01/550467801.db2.gz	CQFSINHBAKGFIW-QGZVFWFLSA-N	1	1	367.497	2.430	20	30		FEEDMO
C[N@@H+](CCCNS(=O)(=O)Cc1ccc(C#N)cc1)Cc1ccccc1	ZINC000272978520	550479466	/nfs/dbraw/zinc/47/94/66/550479466.db2.gz	CRFIULYEMDRVBJ-UHFFFAOYSA-N	1	1	357.479	2.500	20	30		FEEDMO
C[C@@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)C1=CC[N@@H+](C)CC1	ZINC000273056283	550482712	/nfs/dbraw/zinc/48/27/12/550482712.db2.gz	XYUREECZYVRPEF-MRXNPFEDSA-N	1	1	353.470	2.040	20	30		FEEDMO
N#CC1(c2nc(-c3ccccc3C[N@H+]3CCC[C@@H]3C(N)=O)no2)CCC1	ZINC000273730572	550509450	/nfs/dbraw/zinc/50/94/50/550509450.db2.gz	AIBOGHOTVRUVQU-OAHLLOKOSA-N	1	1	351.410	2.132	20	30		FEEDMO
N#CC1(c2nc(-c3ccccc3C[N@@H+]3CCC[C@@H]3C(N)=O)no2)CCC1	ZINC000273730572	550509451	/nfs/dbraw/zinc/50/94/51/550509451.db2.gz	AIBOGHOTVRUVQU-OAHLLOKOSA-N	1	1	351.410	2.132	20	30		FEEDMO
C#CCCCCc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1	ZINC000273779174	550511066	/nfs/dbraw/zinc/51/10/66/550511066.db2.gz	QZGUXWDAXLHZMF-UHFFFAOYSA-N	1	1	352.438	2.470	20	30		FEEDMO
CS[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1N1CCCC1	ZINC000274087199	550522686	/nfs/dbraw/zinc/52/26/86/550522686.db2.gz	RGLDJSNIFOLNOO-ZWKOTPCHSA-N	1	1	358.511	2.398	20	30		FEEDMO
CS[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H]1N1CCCC1	ZINC000274087199	550522687	/nfs/dbraw/zinc/52/26/87/550522687.db2.gz	RGLDJSNIFOLNOO-ZWKOTPCHSA-N	1	1	358.511	2.398	20	30		FEEDMO
CC(C)[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)CC1	ZINC000274243774	550529503	/nfs/dbraw/zinc/52/95/03/550529503.db2.gz	VEVLEUAXFXKXSV-UHFFFAOYSA-N	1	1	357.458	2.461	20	30		FEEDMO
C=CC[C@@H](C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1	ZINC000275126065	550570747	/nfs/dbraw/zinc/57/07/47/550570747.db2.gz	KCIPSEWJZITVOJ-HXUWFJFHSA-N	1	1	369.509	2.359	20	30		FEEDMO
C=CCC[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000276388594	550578381	/nfs/dbraw/zinc/57/83/81/550578381.db2.gz	IZYCHRVTVYXABQ-UHFFFAOYSA-N	1	1	373.906	2.427	20	30		FEEDMO
CO[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@@H]1OC	ZINC000276834895	550601391	/nfs/dbraw/zinc/60/13/91/550601391.db2.gz	HBJHBJKBIVJXQC-GASCZTMLSA-N	1	1	363.483	2.173	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1)C1CC1	ZINC000277757945	550710717	/nfs/dbraw/zinc/71/07/17/550710717.db2.gz	JVQLTWYAKDQSIN-ZBEGNZNMSA-N	1	1	369.391	2.416	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1)C1CC1	ZINC000277757945	550710719	/nfs/dbraw/zinc/71/07/19/550710719.db2.gz	JVQLTWYAKDQSIN-ZBEGNZNMSA-N	1	1	369.391	2.416	20	30		FEEDMO
CC(C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C[C@@H](O)COc1ccccc1	ZINC000277843152	550720587	/nfs/dbraw/zinc/72/05/87/550720587.db2.gz	SDBLRDRTJWLZGT-XLIONFOSSA-N	1	1	361.486	2.191	20	30		FEEDMO
CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1	ZINC000278813439	550824751	/nfs/dbraw/zinc/82/47/51/550824751.db2.gz	NSUJTYDZPOXCRH-UHFFFAOYSA-N	1	1	372.288	2.037	20	30		FEEDMO
CC[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1	ZINC000278813439	550824753	/nfs/dbraw/zinc/82/47/53/550824753.db2.gz	NSUJTYDZPOXCRH-UHFFFAOYSA-N	1	1	372.288	2.037	20	30		FEEDMO
Cc1c[nH+]ccc1OC1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000278846794	550828453	/nfs/dbraw/zinc/82/84/53/550828453.db2.gz	KRFBQWBNEMAKJR-UHFFFAOYSA-N	1	1	357.435	2.494	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1	ZINC000279177287	550861964	/nfs/dbraw/zinc/86/19/64/550861964.db2.gz	GKEKDOCWDKHCDH-LJQANCHMSA-N	1	1	365.481	2.322	20	30		FEEDMO
N#Cc1cc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)ccc1F	ZINC000279281043	550872920	/nfs/dbraw/zinc/87/29/20/550872920.db2.gz	XNWHGEBCTCOGKQ-SFHVURJKSA-N	1	1	366.396	2.399	20	30		FEEDMO
N#Cc1cc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)ccc1F	ZINC000279281043	550872921	/nfs/dbraw/zinc/87/29/21/550872921.db2.gz	XNWHGEBCTCOGKQ-SFHVURJKSA-N	1	1	366.396	2.399	20	30		FEEDMO
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000279437563	550890128	/nfs/dbraw/zinc/89/01/28/550890128.db2.gz	OSBADGUZPMYPRO-MRXNPFEDSA-N	1	1	371.485	2.186	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1	ZINC000279883266	550939289	/nfs/dbraw/zinc/93/92/89/550939289.db2.gz	CVJPKKWXVIHUEZ-VQTJNVASSA-N	1	1	365.481	2.493	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCOC2)O1	ZINC000280333333	550981812	/nfs/dbraw/zinc/98/18/12/550981812.db2.gz	HUOBDUJBMNNMEH-FZKQIMNGSA-N	1	1	363.845	2.420	20	30		FEEDMO
C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(Br)cn1	ZINC000280658031	551018134	/nfs/dbraw/zinc/01/81/34/551018134.db2.gz	ZSQWARHELSMUIV-GFCCVEGCSA-N	1	1	364.247	2.151	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1	ZINC000280658375	551018595	/nfs/dbraw/zinc/01/85/95/551018595.db2.gz	DRRLBNPDKPUDDK-JXFKEZNVSA-N	1	1	356.470	2.026	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1	ZINC000281029360	551056292	/nfs/dbraw/zinc/05/62/92/551056292.db2.gz	QDXCXAIQEMRSDP-GOSISDBHSA-N	1	1	354.454	2.410	20	30		FEEDMO
CCOC(=O)[C@@]1(COC)CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1	ZINC000281219647	551075085	/nfs/dbraw/zinc/07/50/85/551075085.db2.gz	BPOMHOPTIYAVMP-FQEVSTJZSA-N	1	1	373.453	2.179	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1=O	ZINC000281377518	551090211	/nfs/dbraw/zinc/09/02/11/551090211.db2.gz	OXZVEFBXBKGTDO-CVEARBPZSA-N	1	1	356.388	2.328	20	30		FEEDMO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000282644889	551255301	/nfs/dbraw/zinc/25/53/01/551255301.db2.gz	QCGMSAUOKPCFDR-CRAIPNDOSA-N	1	1	367.501	2.318	20	30		FEEDMO
C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@H+](CCOC)C1	ZINC000497839605	561509732	/nfs/dbraw/zinc/50/97/32/561509732.db2.gz	ITNJKSAIGFBXPJ-SFHVURJKSA-N	1	1	363.506	2.272	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C	ZINC000283908265	551448195	/nfs/dbraw/zinc/44/81/95/551448195.db2.gz	DFLPLPIYAORZPH-SFHVURJKSA-N	1	1	369.465	2.256	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[C@H](C)C1	ZINC000284576277	551581138	/nfs/dbraw/zinc/58/11/38/551581138.db2.gz	KNWHGCNJICRXFX-NEPJUHHUSA-N	1	1	370.375	2.496	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C[C@@H]1C	ZINC000498572150	561529031	/nfs/dbraw/zinc/52/90/31/561529031.db2.gz	OAAUIXURUMVZAU-LNLFQRSKSA-N	1	1	369.513	2.419	20	30		FEEDMO
COCCCNC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000285518103	551768960	/nfs/dbraw/zinc/76/89/60/551768960.db2.gz	OPTNTYOIGFCLGL-CQSZACIVSA-N	1	1	363.433	2.082	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1	ZINC000285743399	551804186	/nfs/dbraw/zinc/80/41/86/551804186.db2.gz	FGBBGRMFAVDODV-QGZVFWFLSA-N	1	1	361.486	2.073	20	30		FEEDMO
CCNC(=O)OC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N	ZINC000285759377	551806541	/nfs/dbraw/zinc/80/65/41/551806541.db2.gz	WZTKVRYKFHUCMO-MRXNPFEDSA-N	1	1	358.442	2.487	20	30		FEEDMO
COC(=O)c1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)nc1	ZINC000285837613	551817409	/nfs/dbraw/zinc/81/74/09/551817409.db2.gz	CFRYWGKLGBOFIF-UHFFFAOYSA-N	1	1	350.422	2.452	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000286728618	551919679	/nfs/dbraw/zinc/91/96/79/551919679.db2.gz	BLSHADSGAFUTFV-DZGCQCFKSA-N	1	1	374.872	2.483	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)c(Br)c2)C1	ZINC000287145925	551969247	/nfs/dbraw/zinc/96/92/47/551969247.db2.gz	HWRCBCMGNOZZIK-ZDUSSCGKSA-N	1	1	367.247	2.163	20	30		FEEDMO
CC[C@@H](C)[N@@H+](CCO)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000287233661	551979427	/nfs/dbraw/zinc/97/94/27/551979427.db2.gz	GAZJMFJZIRSEHL-CQSZACIVSA-N	1	1	356.388	2.266	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1Cl	ZINC000287425017	552002482	/nfs/dbraw/zinc/00/24/82/552002482.db2.gz	PEBHDLNGFRTFJL-HNNXBMFYSA-N	1	1	374.872	2.485	20	30		FEEDMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)o1	ZINC000287680072	552033581	/nfs/dbraw/zinc/03/35/81/552033581.db2.gz	DQJRTIUHTXMYBY-MRXNPFEDSA-N	1	1	359.451	2.294	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(c3ccc(C#N)nc3)CC2)C1	ZINC000288335334	552135608	/nfs/dbraw/zinc/13/56/08/552135608.db2.gz	VWSAPNSMUGKGQC-KRWDZBQOSA-N	1	1	357.458	2.085	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1	ZINC000288731637	552202392	/nfs/dbraw/zinc/20/23/92/552202392.db2.gz	GQFPXFLJHGJIJG-UXHICEINSA-N	1	1	361.461	2.107	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1	ZINC000288731637	552202394	/nfs/dbraw/zinc/20/23/94/552202394.db2.gz	GQFPXFLJHGJIJG-UXHICEINSA-N	1	1	361.461	2.107	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C#N)ccc1OCC	ZINC000288735114	552203268	/nfs/dbraw/zinc/20/32/68/552203268.db2.gz	GQBVXHHNMATSRG-AWEZNQCLSA-N	1	1	360.458	2.132	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1c1ccccc1	ZINC000289044287	552257061	/nfs/dbraw/zinc/25/70/61/552257061.db2.gz	CYRBGRDEDRXXIN-RTBURBONSA-N	1	1	355.463	2.423	20	30		FEEDMO
C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289462180	552325345	/nfs/dbraw/zinc/32/53/45/552325345.db2.gz	MDDMAVSRTSLTHZ-CRAIPNDOSA-N	1	1	370.478	2.142	20	30		FEEDMO
CC#CCCCc1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1	ZINC000290251174	552448678	/nfs/dbraw/zinc/44/86/78/552448678.db2.gz	ZQUQLTRJFQJQLQ-UHFFFAOYSA-N	1	1	352.438	2.470	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)c(F)c2)C1	ZINC000290318986	552459531	/nfs/dbraw/zinc/45/95/31/552459531.db2.gz	VKBALQCPFVFVDI-CYBMUJFWSA-N	1	1	360.433	2.263	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccsc1	ZINC000500833932	561583981	/nfs/dbraw/zinc/58/39/81/561583981.db2.gz	QLCFYYCOGCYCDH-INIZCTEOSA-N	1	1	367.471	2.481	20	30		FEEDMO
CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000290471572	552484380	/nfs/dbraw/zinc/48/43/80/552484380.db2.gz	RXJPLGCDJLOOAG-GFCCVEGCSA-N	1	1	350.850	2.387	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C	ZINC000290812442	552542247	/nfs/dbraw/zinc/54/22/47/552542247.db2.gz	VZSVWBFQSLOEJO-SJLPKXTDSA-N	1	1	359.470	2.256	20	30		FEEDMO
CC(C)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCOC1	ZINC000291751705	552658043	/nfs/dbraw/zinc/65/80/43/552658043.db2.gz	KPOQFDUWLFDJQK-QGZVFWFLSA-N	1	1	353.426	2.182	20	30		FEEDMO
CC(C)[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)[C@@H]1CCOC1	ZINC000291751705	552658045	/nfs/dbraw/zinc/65/80/45/552658045.db2.gz	KPOQFDUWLFDJQK-QGZVFWFLSA-N	1	1	353.426	2.182	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1	ZINC000291755209	552658564	/nfs/dbraw/zinc/65/85/64/552658564.db2.gz	KTROCJXKTAIMTF-NHCUHLMSSA-N	1	1	357.498	2.358	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1	ZINC000291755209	552658565	/nfs/dbraw/zinc/65/85/65/552658565.db2.gz	KTROCJXKTAIMTF-NHCUHLMSSA-N	1	1	357.498	2.358	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC[N@H+](C2CCC2)C1	ZINC000291839891	552666915	/nfs/dbraw/zinc/66/69/15/552666915.db2.gz	GRCPGEXETOJZMD-LBPRGKRZSA-N	1	1	369.437	2.331	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1	ZINC000292094837	552693346	/nfs/dbraw/zinc/69/33/46/552693346.db2.gz	HFRQRKFMUAGDJL-IBGZPJMESA-N	1	1	358.511	2.465	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000292632859	552744913	/nfs/dbraw/zinc/74/49/13/552744913.db2.gz	MTFNVZAHRADQKL-UHFFFAOYSA-N	1	1	362.499	2.237	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)[C@H](C)C1	ZINC000292839245	552763825	/nfs/dbraw/zinc/76/38/25/552763825.db2.gz	VOUBALNFMMGKFW-OXQOHEQNSA-N	1	1	372.513	2.491	20	30		FEEDMO
N#C[C@@H]1CC[C@@H]([NH+]2CCN(CC(=O)N3CCCc4ccccc43)CC2)C1	ZINC000292872777	552767241	/nfs/dbraw/zinc/76/72/41/552767241.db2.gz	SQWIJGOWFMZXJS-IEBWSBKVSA-N	1	1	352.482	2.276	20	30		FEEDMO
C[N@H+]1CCC[C@@]2(CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1	ZINC000292968393	552775910	/nfs/dbraw/zinc/77/59/10/552775910.db2.gz	MCTZXLJDKQMHFE-TZIWHRDSSA-N	1	1	352.482	2.471	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)Nc2sccc2C#N)C1	ZINC000292971701	552776364	/nfs/dbraw/zinc/77/63/64/552776364.db2.gz	GSZGRMZKDNXAQT-OKILXGFUSA-N	1	1	362.499	2.433	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1	ZINC000293476475	552827640	/nfs/dbraw/zinc/82/76/40/552827640.db2.gz	VHQBONATUOXQEP-HXUWFJFHSA-N	1	1	357.454	2.134	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)CC2)o1	ZINC000293832672	552860487	/nfs/dbraw/zinc/86/04/87/552860487.db2.gz	BYZOHGOSJQXJGF-FQEVSTJZSA-N	1	1	371.485	2.015	20	30		FEEDMO
CC[N@H+]1CC[C@H]2OCCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)[C@H]2C1	ZINC000293877059	552864424	/nfs/dbraw/zinc/86/44/24/552864424.db2.gz	KSMUCIHUGYUZFO-ZWKOTPCHSA-N	1	1	357.454	2.037	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1	ZINC000294050505	552878264	/nfs/dbraw/zinc/87/82/64/552878264.db2.gz	UCJLRCFIILWXGE-OAQYLSRUSA-N	1	1	355.482	2.000	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000294174917	552887934	/nfs/dbraw/zinc/88/79/34/552887934.db2.gz	JQFUUVHJOMDLTR-KBPBESRZSA-N	1	1	353.463	2.237	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)c1cccs1	ZINC000294371593	552900954	/nfs/dbraw/zinc/90/09/54/552900954.db2.gz	LMBBEIXVUKNIGS-OAHLLOKOSA-N	1	1	367.471	2.481	20	30		FEEDMO
CO[C@H]1COCC[C@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000294480232	552909613	/nfs/dbraw/zinc/90/96/13/552909613.db2.gz	QQRXIUOODJWQBM-PMACEKPBSA-N	1	1	371.481	2.034	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)C[C@H]1CCCS(=O)(=O)C1)C(C)C	ZINC000294678231	552925921	/nfs/dbraw/zinc/92/59/21/552925921.db2.gz	HXUVFDDCPZYBMI-IAGOWNOFSA-N	1	1	356.532	2.016	20	30		FEEDMO
COc1c(C)c[nH+]c(CN(C)CC(=O)NCc2ccc(C#N)cc2)c1C	ZINC000295182254	552967115	/nfs/dbraw/zinc/96/71/15/552967115.db2.gz	PVLVJLITBBDWSU-UHFFFAOYSA-N	1	1	352.438	2.327	20	30		FEEDMO
CN(Cc1cc(C#N)ccc1Br)[C@@H]1CC[N@@H+]2CCO[C@H]1C2	ZINC000295313737	552985499	/nfs/dbraw/zinc/98/54/99/552985499.db2.gz	GHDROYGGNRLIRJ-CVEARBPZSA-N	1	1	350.260	2.226	20	30		FEEDMO
CN(Cc1cc(C#N)ccc1Br)[C@@H]1CC[N@H+]2CCO[C@H]1C2	ZINC000295313737	552985501	/nfs/dbraw/zinc/98/55/01/552985501.db2.gz	GHDROYGGNRLIRJ-CVEARBPZSA-N	1	1	350.260	2.226	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1	ZINC000296313071	553139270	/nfs/dbraw/zinc/13/92/70/553139270.db2.gz	LATUWQUFJGQTFC-LPHOPBHVSA-N	1	1	356.470	2.400	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NCc1ccc(N2CCC(C)CC2)nc1	ZINC000296445049	553161344	/nfs/dbraw/zinc/16/13/44/553161344.db2.gz	UXBYGAARLMFWET-UHFFFAOYSA-N	1	1	357.502	2.072	20	30		FEEDMO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)s1	ZINC000297033408	553244884	/nfs/dbraw/zinc/24/48/84/553244884.db2.gz	RQRVDBIMWXSAAD-UHFFFAOYSA-N	1	1	360.483	2.234	20	30		FEEDMO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)s1	ZINC000297033408	553244885	/nfs/dbraw/zinc/24/48/85/553244885.db2.gz	RQRVDBIMWXSAAD-UHFFFAOYSA-N	1	1	360.483	2.234	20	30		FEEDMO
Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)nn1-c1cccc(C#N)c1	ZINC000503419855	561640837	/nfs/dbraw/zinc/64/08/37/561640837.db2.gz	HTFWEHNPIQLDTF-KUHUBIRLSA-N	1	1	351.454	2.465	20	30		FEEDMO
C[S@](=O)C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1ccccc1	ZINC000299023313	553504885	/nfs/dbraw/zinc/50/48/85/553504885.db2.gz	REWYXRDNKPLUNF-MVYHEMRASA-N	1	1	367.474	2.373	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000299428188	553561647	/nfs/dbraw/zinc/56/16/47/553561647.db2.gz	HKFQEYDSFZGZFM-MOPGFXCFSA-N	1	1	356.470	2.343	20	30		FEEDMO
CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000299468705	553567544	/nfs/dbraw/zinc/56/75/44/553567544.db2.gz	MZXHVFNNRAVOSB-AWEZNQCLSA-N	1	1	362.861	2.388	20	30		FEEDMO
CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000299468705	553567546	/nfs/dbraw/zinc/56/75/46/553567546.db2.gz	MZXHVFNNRAVOSB-AWEZNQCLSA-N	1	1	362.861	2.388	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1(C(N)=O)CCCC1	ZINC000299643333	553594922	/nfs/dbraw/zinc/59/49/22/553594922.db2.gz	KPLOGPZKAPEAJW-UHFFFAOYSA-N	1	1	360.483	2.167	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1	ZINC000504413420	561657918	/nfs/dbraw/zinc/65/79/18/561657918.db2.gz	JYIJCFAAIMSVHP-KRWDZBQOSA-N	1	1	373.497	2.361	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000505005621	561665261	/nfs/dbraw/zinc/66/52/61/561665261.db2.gz	MFXWFDHYRLDYQZ-UHFFFAOYSA-N	1	1	358.486	2.479	20	30		FEEDMO
CN(C)c1nc(N2CCN(c3nc4c(cc3C#N)CCCC4)CC2)cc[nH+]1	ZINC000301863883	553686335	/nfs/dbraw/zinc/68/63/35/553686335.db2.gz	FLCUGYPTFIQWTE-UHFFFAOYSA-N	1	1	363.469	2.015	20	30		FEEDMO
COc1c(C)c[nH+]c(CN2CCC(N(C)c3ccc(C#N)nn3)CC2)c1C	ZINC000301988852	553696804	/nfs/dbraw/zinc/69/68/04/553696804.db2.gz	LQUFHJJBJYMJHT-UHFFFAOYSA-N	1	1	366.469	2.470	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(C#N)ccc1[N+](=O)[O-]	ZINC000302188606	553709636	/nfs/dbraw/zinc/70/96/36/553709636.db2.gz	AHEYASRLHDDZGU-HNNXBMFYSA-N	1	1	366.425	2.484	20	30		FEEDMO
CCC(CC)[C@H](CNC(=O)Cc1c(F)cccc1C#N)[NH+]1CCOCC1	ZINC000505345319	561669836	/nfs/dbraw/zinc/66/98/36/561669836.db2.gz	SIBGVEBCCXVWEZ-IBGZPJMESA-N	1	1	361.461	2.493	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNc2cc(C#N)c(Br)cn2)CC1	ZINC000603280330	553752420	/nfs/dbraw/zinc/75/24/20/553752420.db2.gz	UXSMHBHGZGQSFX-ZDUSSCGKSA-N	1	1	366.307	2.401	20	30		FEEDMO
Cn1ncc2c1C[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)CC2	ZINC000328688261	553807335	/nfs/dbraw/zinc/80/73/35/553807335.db2.gz	ZSEYIWGEXTUJPK-NEWSRXKRSA-N	1	1	368.481	2.117	20	30		FEEDMO
CCc1cc(N2CCC(NC(=O)NC[C@H]3CCC[N@H+](CC)C3)CC2)ncn1	ZINC000328705712	553810147	/nfs/dbraw/zinc/81/01/47/553810147.db2.gz	LFVKGMGBFDFYJT-MRXNPFEDSA-N	1	1	374.533	2.243	20	30		FEEDMO
CC(C)Cn1ncc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1C(F)F	ZINC000328848938	553832366	/nfs/dbraw/zinc/83/23/66/553832366.db2.gz	TVPAVHJXOIOXJZ-LBPRGKRZSA-N	1	1	358.437	2.048	20	30		FEEDMO
CC(C)c1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H](C3CC[NH+](C)CC3)C1)CC2	ZINC000328853179	553833411	/nfs/dbraw/zinc/83/34/11/553833411.db2.gz	JCMRMIFIFFEZPS-IAGOWNOFSA-N	1	1	374.533	2.294	20	30		FEEDMO
CC(C)[C@H](C)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000505885903	561684196	/nfs/dbraw/zinc/68/41/96/561684196.db2.gz	WZBHCVXUCKVBQB-QGZVFWFLSA-N	1	1	370.497	2.001	20	30		FEEDMO
CC(C)[C@H](C)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000505885903	561684197	/nfs/dbraw/zinc/68/41/97/561684197.db2.gz	WZBHCVXUCKVBQB-QGZVFWFLSA-N	1	1	370.497	2.001	20	30		FEEDMO
C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+]1CCC[C@](O)(Cn2ccnn2)C1	ZINC000328938164	553849369	/nfs/dbraw/zinc/84/93/69/553849369.db2.gz	JZOFKGOFPNZIQP-NLEPDTAZSA-N	1	1	363.506	2.275	20	30		FEEDMO
C[C@@H]1C[C@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1=O	ZINC000328944355	553850290	/nfs/dbraw/zinc/85/02/90/553850290.db2.gz	JEUYUTPPCUHPQN-SJLPKXTDSA-N	1	1	371.481	2.293	20	30		FEEDMO
COc1ccc2c(c1)OC[C@H](NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)C2	ZINC000329005347	553862626	/nfs/dbraw/zinc/86/26/26/553862626.db2.gz	MPPPHKLDPPOPJY-NVXWUHKLSA-N	1	1	361.486	2.480	20	30		FEEDMO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@@H](C)[N@H+]3CCC[C@@H](C)C3)CC[C@@H]21	ZINC000329011442	553863959	/nfs/dbraw/zinc/86/39/59/553863959.db2.gz	DSTKPTQAEDQMPR-VQHPVUNQSA-N	1	1	365.522	2.102	20	30		FEEDMO
C[N@H+]1CC[C@H]2OCCN(CC(=O)Nc3nc4c(s3)CCCC4)[C@@H]2C1	ZINC000329030509	553867788	/nfs/dbraw/zinc/86/77/88/553867788.db2.gz	PMPWIEHFQDQTCW-ZIAGYGMSSA-N	1	1	350.488	2.015	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)c1cnc2c(c1)NC(=O)CO2)[NH+]1CCOCC1	ZINC000329087102	553878091	/nfs/dbraw/zinc/87/80/91/553878091.db2.gz	HDEHXAOZHMXKOB-CQSZACIVSA-N	1	1	362.430	2.114	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC000329104303	553881183	/nfs/dbraw/zinc/88/11/83/553881183.db2.gz	GOWHICNOFIIFHX-HZPDHXFCSA-N	1	1	350.507	2.298	20	30		FEEDMO
COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N1CCC[N@H+](C)CC1	ZINC000329173200	553894946	/nfs/dbraw/zinc/89/49/46/553894946.db2.gz	LIIFHMOVJDYNAZ-UHFFFAOYSA-N	1	1	367.471	2.019	20	30		FEEDMO
COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N1CCC[N@@H+](C)CC1	ZINC000329173200	553894950	/nfs/dbraw/zinc/89/49/50/553894950.db2.gz	LIIFHMOVJDYNAZ-UHFFFAOYSA-N	1	1	367.471	2.019	20	30		FEEDMO
CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC3(CCCCC3)O2)[N@@H+](C)C1	ZINC000329190476	553898593	/nfs/dbraw/zinc/89/85/93/553898593.db2.gz	QBQOWCFADNXLKQ-ULQDDVLXSA-N	1	1	353.507	2.433	20	30		FEEDMO
C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)N1CCSCC1	ZINC000329209587	553902619	/nfs/dbraw/zinc/90/26/19/553902619.db2.gz	YLRRMPRQZMKNAS-HLLBOEOZSA-N	1	1	365.547	2.197	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@@H]1C	ZINC000329221446	553905327	/nfs/dbraw/zinc/90/53/27/553905327.db2.gz	UURRANMYMQSGTD-YQQAZPJKSA-N	1	1	358.461	2.465	20	30		FEEDMO
Cn1nccc1C1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1	ZINC000329268325	553914112	/nfs/dbraw/zinc/91/41/12/553914112.db2.gz	DRLJXGGGWKOQBD-MRXNPFEDSA-N	1	1	370.453	2.396	20	30		FEEDMO
Cc1nc([C@@H]2CN(C(=O)N[C@H](C)C[N@@H+]3C[C@H](C)C[C@H](C)C3)CCO2)no1	ZINC000329268045	553914317	/nfs/dbraw/zinc/91/43/17/553914317.db2.gz	DOXOICXYIISCLO-CTASWTNQSA-N	1	1	365.478	2.032	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C(=O)N1c1ccccc1	ZINC000329302036	553921100	/nfs/dbraw/zinc/92/11/00/553921100.db2.gz	WNQWJTIMDXEQEH-FZCLSBEQSA-N	1	1	356.470	2.120	20	30		FEEDMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCOCC2(CCC2)C1	ZINC000329446830	553948806	/nfs/dbraw/zinc/94/88/06/553948806.db2.gz	CQDBDOGVVNMIBP-UHFFFAOYSA-N	1	1	373.497	2.435	20	30		FEEDMO
COc1ccc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1N1CCCC1=O	ZINC000329471334	553952360	/nfs/dbraw/zinc/95/23/60/553952360.db2.gz	ZLTQJORQQIUDFB-YOEHRIQHSA-N	1	1	372.469	2.394	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C[C@H]1[NH+]1CCOCC1	ZINC000329714945	553994366	/nfs/dbraw/zinc/99/43/66/553994366.db2.gz	UFYQKBZUJOMWLF-KCYZZUKISA-N	1	1	366.506	2.087	20	30		FEEDMO
CC[C@@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000329830002	554014123	/nfs/dbraw/zinc/01/41/23/554014123.db2.gz	SHYAPMSSGTXASG-IXDOHACOSA-N	1	1	351.491	2.235	20	30		FEEDMO
O=C(N[C@@H]1CCc2c[nH]nc2C1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000329850700	554018768	/nfs/dbraw/zinc/01/87/68/554018768.db2.gz	SMNVQPJDZQGRQA-MSOLQXFVSA-N	1	1	353.470	2.435	20	30		FEEDMO
Cc1c([C@@H]2[C@H](C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)CC(=O)N2C)cnn1C	ZINC000329884497	554024650	/nfs/dbraw/zinc/02/46/50/554024650.db2.gz	SLQLSYFTMHQBPA-OGWOLHLISA-N	1	1	373.501	2.221	20	30		FEEDMO
C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cn(C)nc2[C@@H]2CCOC2)C[C@@H](C)O1	ZINC000329883764	554024769	/nfs/dbraw/zinc/02/47/69/554024769.db2.gz	RLYMVJUNGVUBDM-RBSFLKMASA-N	1	1	364.490	2.116	20	30		FEEDMO
C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)CCO1	ZINC000329896527	554027175	/nfs/dbraw/zinc/02/71/75/554027175.db2.gz	COGIYPAFXOFOHG-QPSCCSFWSA-N	1	1	365.453	2.231	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)C2)n1	ZINC000329920510	554031684	/nfs/dbraw/zinc/03/16/84/554031684.db2.gz	DZQAFUDGHJJUPB-PKOBYXMFSA-N	1	1	369.513	2.278	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1	ZINC000330094098	554063196	/nfs/dbraw/zinc/06/31/96/554063196.db2.gz	SJTOPMXDTMDZEP-MRXNPFEDSA-N	1	1	374.533	2.440	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)CC1	ZINC000330096297	554064017	/nfs/dbraw/zinc/06/40/17/554064017.db2.gz	XCWLLOQUQKDVIG-MISYRCLQSA-N	1	1	369.513	2.157	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1	ZINC000330200638	554083986	/nfs/dbraw/zinc/08/39/86/554083986.db2.gz	WSEARFLDOQXWOT-MDZLAQPJSA-N	1	1	362.396	2.224	20	30		FEEDMO
C[C@H](NC(=O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1)C(=O)N1CCCCC1	ZINC000330230886	554089386	/nfs/dbraw/zinc/08/93/86/554089386.db2.gz	DSQGTEXCEYTHIZ-RDJZCZTQSA-N	1	1	351.491	2.092	20	30		FEEDMO
C[C@H](NC(=O)C[N@H+]1CCOC[C@@H](C2CCC2)C1)C(=O)N1CCCCC1	ZINC000330230886	554089389	/nfs/dbraw/zinc/08/93/89/554089389.db2.gz	DSQGTEXCEYTHIZ-RDJZCZTQSA-N	1	1	351.491	2.092	20	30		FEEDMO
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cn2)CC1	ZINC000330270960	554097157	/nfs/dbraw/zinc/09/71/57/554097157.db2.gz	VBZYKQAWJICHOW-SFHVURJKSA-N	1	1	357.502	2.307	20	30		FEEDMO
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)cn2)CC1	ZINC000330270960	554097159	/nfs/dbraw/zinc/09/71/59/554097159.db2.gz	VBZYKQAWJICHOW-SFHVURJKSA-N	1	1	357.502	2.307	20	30		FEEDMO
CCOC(=O)c1cc(C)sc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1	ZINC000330394132	554115927	/nfs/dbraw/zinc/11/59/27/554115927.db2.gz	IRKQFDQJXWIGJR-UHFFFAOYSA-N	1	1	369.487	2.167	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1	ZINC000330409228	554117868	/nfs/dbraw/zinc/11/78/68/554117868.db2.gz	JYTRTDQFFOZWSC-SJLPKXTDSA-N	1	1	364.515	2.109	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000330415288	554118715	/nfs/dbraw/zinc/11/87/15/554118715.db2.gz	NQPZRPIDMRXTQG-IIAWOOMASA-N	1	1	370.544	2.199	20	30		FEEDMO
CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000330425963	554120145	/nfs/dbraw/zinc/12/01/45/554120145.db2.gz	DUCAXBWGRGWPKN-GDLCADMTSA-N	1	1	373.375	2.252	20	30		FEEDMO
CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000330425963	554120147	/nfs/dbraw/zinc/12/01/47/554120147.db2.gz	DUCAXBWGRGWPKN-GDLCADMTSA-N	1	1	373.375	2.252	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(S(N)(=O)=O)cc2Cl)C1	ZINC000330452539	554123611	/nfs/dbraw/zinc/12/36/11/554123611.db2.gz	KUAFRMQDUJIIIK-NSHDSACASA-N	1	1	359.879	2.024	20	30		FEEDMO
C[C@H](COCC(F)(F)F)NC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1	ZINC000330481273	554126608	/nfs/dbraw/zinc/12/66/08/554126608.db2.gz	PEBAPBPPBBEYRR-OLZOCXBDSA-N	1	1	367.412	2.053	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1	ZINC000330550278	554136920	/nfs/dbraw/zinc/13/69/20/554136920.db2.gz	WXHFZCMTODBMKM-CHWSQXEVSA-N	1	1	371.407	2.379	20	30		FEEDMO
CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1	ZINC000331017485	554201370	/nfs/dbraw/zinc/20/13/70/554201370.db2.gz	HSZURUBSPBSZMU-GJZGRUSLSA-N	1	1	362.474	2.276	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1	ZINC000331170292	554225482	/nfs/dbraw/zinc/22/54/82/554225482.db2.gz	VKARYNQUWLZQDL-CYBMUJFWSA-N	1	1	353.463	2.013	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1	ZINC000331170292	554225488	/nfs/dbraw/zinc/22/54/88/554225488.db2.gz	VKARYNQUWLZQDL-CYBMUJFWSA-N	1	1	353.463	2.013	20	30		FEEDMO
COc1cccc(C[C@H](C)NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1	ZINC000331226169	554233638	/nfs/dbraw/zinc/23/36/38/554233638.db2.gz	NGPGUEXNVWQHGE-HOTGVXAUSA-N	1	1	363.502	2.317	20	30		FEEDMO
Cc1ccc(NC(=O)N(C)C)cc1NC(=O)C[N@H+](C)[C@H]1CCSC1	ZINC000331245153	554236089	/nfs/dbraw/zinc/23/60/89/554236089.db2.gz	RFFRSYPQMOWOFM-AWEZNQCLSA-N	1	1	350.488	2.478	20	30		FEEDMO
Cc1ccc(NC(=O)N(C)C)cc1NC(=O)C[N@@H+](C)[C@H]1CCSC1	ZINC000331245153	554236091	/nfs/dbraw/zinc/23/60/91/554236091.db2.gz	RFFRSYPQMOWOFM-AWEZNQCLSA-N	1	1	350.488	2.478	20	30		FEEDMO
C[C@H]1CN(C(=O)C(C)(C)NC(=O)c2ccccc2)CC[N@H+]1CC(C)(C)O	ZINC000331299387	554243407	/nfs/dbraw/zinc/24/34/07/554243407.db2.gz	QASHPSQKQQPLLI-HNNXBMFYSA-N	1	1	361.486	2.073	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(C#N)cc1OC(F)F	ZINC000331306757	554244326	/nfs/dbraw/zinc/24/43/26/554244326.db2.gz	VYHZYIRDMVHNBM-ZDUSSCGKSA-N	1	1	353.413	2.437	20	30		FEEDMO
COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1NC(C)=O	ZINC000331304867	554244644	/nfs/dbraw/zinc/24/46/44/554244644.db2.gz	YRJNMZQMVXTYCG-SUMWQHHRSA-N	1	1	362.474	2.340	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000508974545	561780025	/nfs/dbraw/zinc/78/00/25/561780025.db2.gz	DHKDWNGNMXSOBI-INIZCTEOSA-N	1	1	372.469	2.275	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C1	ZINC000331627993	554297981	/nfs/dbraw/zinc/29/79/81/554297981.db2.gz	RJVXJDBQPZYEIO-MJGOQNOKSA-N	1	1	369.513	2.278	20	30		FEEDMO
C[C@@H]([NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1)c1ccc(C#N)cc1F	ZINC000331942127	554349711	/nfs/dbraw/zinc/34/97/11/554349711.db2.gz	XSDODNVXFASTFB-HIFRSBDPSA-N	1	1	355.417	2.111	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000332222210	554403758	/nfs/dbraw/zinc/40/37/58/554403758.db2.gz	AULPOQYXRLCEMT-KBPBESRZSA-N	1	1	373.400	2.482	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC[N@H+]1C	ZINC000332534705	554465873	/nfs/dbraw/zinc/46/58/73/554465873.db2.gz	IKNPAJUTWNSUAC-GJZGRUSLSA-N	1	1	359.449	2.012	20	30		FEEDMO
Cc1cccc([C@H]2CC[N@H+](CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)c1	ZINC000332667962	554493914	/nfs/dbraw/zinc/49/39/14/554493914.db2.gz	MJCGOAHHJNOCSB-LEWJYISDSA-N	1	1	368.525	2.477	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[N@@H+]1C	ZINC000332936429	554545749	/nfs/dbraw/zinc/54/57/49/554545749.db2.gz	XALCJMVJEUSQLF-PXNSSMCTSA-N	1	1	369.513	2.258	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C	ZINC000332936429	554545751	/nfs/dbraw/zinc/54/57/51/554545751.db2.gz	XALCJMVJEUSQLF-PXNSSMCTSA-N	1	1	369.513	2.258	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@]2(C#N)CC23CCCC3)CC1	ZINC000333241149	554593222	/nfs/dbraw/zinc/59/32/22/554593222.db2.gz	WKSHMZYHBLREQG-UEXGIBASSA-N	1	1	358.530	2.477	20	30		FEEDMO
C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(F)(C#N)CC1	ZINC000510936419	561851671	/nfs/dbraw/zinc/85/16/71/561851671.db2.gz	PFUMOKLNCFJWML-FUHWJXTLSA-N	1	1	358.461	2.093	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N(C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1=O	ZINC000348608150	554691411	/nfs/dbraw/zinc/69/14/11/554691411.db2.gz	ZWEUMDPFOUUBEM-MSOLQXFVSA-N	1	1	357.454	2.020	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1	ZINC000359991567	554858389	/nfs/dbraw/zinc/85/83/89/554858389.db2.gz	DWXWACRMNBWOTK-YHUYYLMFSA-N	1	1	351.491	2.302	20	30		FEEDMO
CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1	ZINC000360403455	554873838	/nfs/dbraw/zinc/87/38/38/554873838.db2.gz	YBDJRMREDMXXQN-UXHICEINSA-N	1	1	368.481	2.409	20	30		FEEDMO
N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1	ZINC000362018643	554944987	/nfs/dbraw/zinc/94/49/87/554944987.db2.gz	CDLZJTXSTCQBRR-NRFANRHFSA-N	1	1	360.461	2.231	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCCC3)C2)cc1	ZINC000363196869	555050851	/nfs/dbraw/zinc/05/08/51/555050851.db2.gz	XFIXYRYNNLLEAG-QGZVFWFLSA-N	1	1	354.454	2.410	20	30		FEEDMO
CC(C)NC(=O)CCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000363387708	555092353	/nfs/dbraw/zinc/09/23/53/555092353.db2.gz	JIVUDBWBWRAVEX-UHFFFAOYSA-N	1	1	370.497	2.287	20	30		FEEDMO
C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1	ZINC000363526111	555128639	/nfs/dbraw/zinc/12/86/39/555128639.db2.gz	UHDLIWAAMCRJPZ-ROUUACIJSA-N	1	1	366.396	2.197	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1	ZINC000363526111	555128641	/nfs/dbraw/zinc/12/86/41/555128641.db2.gz	UHDLIWAAMCRJPZ-ROUUACIJSA-N	1	1	366.396	2.197	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1Cl	ZINC000363557793	555136417	/nfs/dbraw/zinc/13/64/17/555136417.db2.gz	LRYUKZGXAWJYEJ-YSVLISHTSA-N	1	1	372.856	2.093	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000363634632	555151419	/nfs/dbraw/zinc/15/14/19/555151419.db2.gz	VVLQNSIEZUEERR-RBUKOAKNSA-N	1	1	354.454	2.362	20	30		FEEDMO
CCCc1c(NC(=O)[C@H]2C[N@H+](CC)CCO2)cnn1-c1cccc(C#N)c1	ZINC000363885029	555206740	/nfs/dbraw/zinc/20/67/40/555206740.db2.gz	CGXJBWGEPZNFKP-LJQANCHMSA-N	1	1	367.453	2.356	20	30		FEEDMO
CCCc1c(NC(=O)[C@H]2C[N@@H+](CC)CCO2)cnn1-c1cccc(C#N)c1	ZINC000363885029	555206743	/nfs/dbraw/zinc/20/67/43/555206743.db2.gz	CGXJBWGEPZNFKP-LJQANCHMSA-N	1	1	367.453	2.356	20	30		FEEDMO
C#CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)C1CCCC1	ZINC000363956746	555221478	/nfs/dbraw/zinc/22/14/78/555221478.db2.gz	CUPROMHRCATXHB-LPHOPBHVSA-N	1	1	357.502	2.390	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000364019606	555234843	/nfs/dbraw/zinc/23/48/43/555234843.db2.gz	LWMMPZHESFAIHS-QZTJIDSGSA-N	1	1	360.502	2.147	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O	ZINC000364434590	555313676	/nfs/dbraw/zinc/31/36/76/555313676.db2.gz	NNPZYNIIESYWPF-QVKFZJNVSA-N	1	1	366.465	2.313	20	30		FEEDMO
C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)COC1CCOCC1	ZINC000512548226	561908819	/nfs/dbraw/zinc/90/88/19/561908819.db2.gz	ZDZVQFUIYNJCTN-GOSISDBHSA-N	1	1	351.491	2.399	20	30		FEEDMO
C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F	ZINC000512474330	561906518	/nfs/dbraw/zinc/90/65/18/561906518.db2.gz	JHPNWAIRJJQZOC-BBRMVZONSA-N	1	1	351.397	2.455	20	30		FEEDMO
C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F	ZINC000512474330	561906519	/nfs/dbraw/zinc/90/65/19/561906519.db2.gz	JHPNWAIRJJQZOC-BBRMVZONSA-N	1	1	351.397	2.455	20	30		FEEDMO
C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F	ZINC000512474331	561906619	/nfs/dbraw/zinc/90/66/19/561906619.db2.gz	JHPNWAIRJJQZOC-CJNGLKHVSA-N	1	1	351.397	2.455	20	30		FEEDMO
C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F	ZINC000512474331	561906621	/nfs/dbraw/zinc/90/66/21/561906621.db2.gz	JHPNWAIRJJQZOC-CJNGLKHVSA-N	1	1	351.397	2.455	20	30		FEEDMO
C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000364681500	555373455	/nfs/dbraw/zinc/37/34/55/555373455.db2.gz	IKBGSYRLHVFWIB-FCEWJHQRSA-N	1	1	359.518	2.021	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000364685560	555374619	/nfs/dbraw/zinc/37/46/19/555374619.db2.gz	IKSXVUMBQHSQDD-OAHLLOKOSA-N	1	1	370.432	2.689	20	30		FEEDMO
N#Cc1cnccc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F	ZINC000512710661	561913140	/nfs/dbraw/zinc/91/31/40/561913140.db2.gz	XHXAVJXMCPNSIT-INIZCTEOSA-N	1	1	356.376	2.471	20	30		FEEDMO
C=CCN(C(=O)NOC[C@@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364959638	555450628	/nfs/dbraw/zinc/45/06/28/555450628.db2.gz	XREUEVCQEGQKBZ-RTBURBONSA-N	1	1	359.470	2.427	20	30		FEEDMO
COC(=O)C[C@@](C)([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)c1cccc(F)c1	ZINC000513149444	561927198	/nfs/dbraw/zinc/92/71/98/561927198.db2.gz	KXBNFJRBMXWUFG-RTBURBONSA-N	1	1	363.433	2.248	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1Cl	ZINC000365548071	555606043	/nfs/dbraw/zinc/60/60/43/555606043.db2.gz	CNTZKBBYALWGHY-LXZKKBNFSA-N	1	1	365.886	2.316	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCCN(c3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1	ZINC000365925476	555702455	/nfs/dbraw/zinc/70/24/55/555702455.db2.gz	WYSOPOYUAYPTFY-AEFFLSMTSA-N	1	1	367.497	2.405	20	30		FEEDMO
Cc1c(C#N)cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000513608542	561944376	/nfs/dbraw/zinc/94/43/76/561944376.db2.gz	JKAOWUNEWSYQDW-PZJWPPBQSA-N	1	1	363.461	2.480	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)ccc1F	ZINC000366203494	555780964	/nfs/dbraw/zinc/78/09/64/555780964.db2.gz	KSTWGUIQKKSQMG-PXNSSMCTSA-N	1	1	367.424	2.310	20	30		FEEDMO
C[C@H](C#N)CN(C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)C1CC1	ZINC000513868026	561952914	/nfs/dbraw/zinc/95/29/14/561952914.db2.gz	PCMPAUYXXVWYAO-RDTXWAMCSA-N	1	1	369.469	2.292	20	30		FEEDMO
C[C@H](C#N)CN(C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)C1CC1	ZINC000513868026	561952916	/nfs/dbraw/zinc/95/29/16/561952916.db2.gz	PCMPAUYXXVWYAO-RDTXWAMCSA-N	1	1	369.469	2.292	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](CCc3nc4ccccc4c(=O)[nH]3)C2)nc1	ZINC000366425803	555840081	/nfs/dbraw/zinc/84/00/81/555840081.db2.gz	XOQAKAVGDXWIMF-OAHLLOKOSA-N	1	1	361.405	2.298	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)CC1	ZINC000367552207	556081183	/nfs/dbraw/zinc/08/11/83/556081183.db2.gz	MTSDLMXFOKSMSS-DLBZAZTESA-N	1	1	361.490	2.057	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)CC1	ZINC000367552207	556081185	/nfs/dbraw/zinc/08/11/85/556081185.db2.gz	MTSDLMXFOKSMSS-DLBZAZTESA-N	1	1	361.490	2.057	20	30		FEEDMO
Cn1cc([C@@H]2[C@H](CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)CCC[N@H+]2C)cn1	ZINC000367732385	556125820	/nfs/dbraw/zinc/12/58/20/556125820.db2.gz	ZIBJGIBSKYDJEE-SJCJKPOMSA-N	1	1	369.429	2.277	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH+]1CCN(c2ccc(F)cn2)CC1	ZINC000367744454	556128669	/nfs/dbraw/zinc/12/86/69/556128669.db2.gz	BDCYRZTUOMRLLL-UHFFFAOYSA-N	1	1	356.401	2.302	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)nc1	ZINC000367776701	556136282	/nfs/dbraw/zinc/13/62/82/556136282.db2.gz	GDAKKBUEMVSQDH-FQEVSTJZSA-N	1	1	364.449	2.443	20	30		FEEDMO
COC(=O)[C@]12CCC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2	ZINC000367794136	556141031	/nfs/dbraw/zinc/14/10/31/556141031.db2.gz	KRUUVWCMHFDGRT-TVZGQMOCSA-N	1	1	359.426	2.370	20	30		FEEDMO
COC(=O)[C@]12CCC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C2	ZINC000367794136	556141034	/nfs/dbraw/zinc/14/10/34/556141034.db2.gz	KRUUVWCMHFDGRT-TVZGQMOCSA-N	1	1	359.426	2.370	20	30		FEEDMO
CC(C)(C)Oc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)n1	ZINC000515055567	561994205	/nfs/dbraw/zinc/99/42/05/561994205.db2.gz	XCQANIFUBJQQER-UHFFFAOYSA-N	1	1	374.466	2.089	20	30		FEEDMO
Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNc1nccc(C)c1C#N	ZINC000368357243	556286819	/nfs/dbraw/zinc/28/68/19/556286819.db2.gz	JDZUFVHUCQUMQH-UHFFFAOYSA-N	1	1	353.474	2.058	20	30		FEEDMO
C=CCn1c([C@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C	ZINC000515333513	562005741	/nfs/dbraw/zinc/00/57/41/562005741.db2.gz	STGXTFAZBJDAPO-YESZJQIVSA-N	1	1	365.522	2.355	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C[C@@H]21	ZINC000368588665	556354348	/nfs/dbraw/zinc/35/43/48/556354348.db2.gz	GTYOYNBGAGDOMC-MJGOQNOKSA-N	1	1	368.481	2.266	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000368666139	556379337	/nfs/dbraw/zinc/37/93/37/556379337.db2.gz	CJTPZUPPDPTOOP-YZGWKJHDSA-N	1	1	371.481	2.163	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)[C@H]2CCCc3cccnc32)CC1	ZINC000369049035	556488651	/nfs/dbraw/zinc/48/86/51/556488651.db2.gz	RVQXMQDSNQOECU-RBUKOAKNSA-N	1	1	369.513	2.083	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCCc3cccnc32)CC1	ZINC000369049035	556488653	/nfs/dbraw/zinc/48/86/53/556488653.db2.gz	RVQXMQDSNQOECU-RBUKOAKNSA-N	1	1	369.513	2.083	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1	ZINC000369179544	556527351	/nfs/dbraw/zinc/52/73/51/556527351.db2.gz	SXCREYVYZCJENQ-DOMZBBRYSA-N	1	1	351.497	2.257	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C1	ZINC000515970345	562026681	/nfs/dbraw/zinc/02/66/81/562026681.db2.gz	MGFPQBBKOUUFCZ-ICSRJNTNSA-N	1	1	373.497	2.435	20	30		FEEDMO
Cn1cc([C@H]2[C@@H](CNC(=O)NCc3ccc(C#N)cc3)CCC[N@H+]2C)cn1	ZINC000369427840	556598385	/nfs/dbraw/zinc/59/83/85/556598385.db2.gz	RXBOZHAZKFYVOH-IEBWSBKVSA-N	1	1	366.469	2.174	20	30		FEEDMO
CN1C(=O)[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)CCN2C1=O	ZINC000369460785	556605313	/nfs/dbraw/zinc/60/53/13/556605313.db2.gz	FPONINAAHZHRAY-LJQANCHMSA-N	1	1	360.417	2.303	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3sc(C(C)(C)C)cc3C#N)C[C@@H]21	ZINC000516248870	562037290	/nfs/dbraw/zinc/03/72/90/562037290.db2.gz	NCUOVAXNDIQHIN-YPMHNXCESA-N	1	1	360.483	2.018	20	30		FEEDMO
Cc1nc2c(nccc2C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)[nH]1	ZINC000369788573	556695682	/nfs/dbraw/zinc/69/56/82/556695682.db2.gz	SSBOGPGTBHAWAX-UHFFFAOYSA-N	1	1	374.448	2.486	20	30		FEEDMO
Cc1nc2c(nccc2C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)[nH]1	ZINC000369788573	556695684	/nfs/dbraw/zinc/69/56/84/556695684.db2.gz	SSBOGPGTBHAWAX-UHFFFAOYSA-N	1	1	374.448	2.486	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](Cc2nnc3ccccn32)C1	ZINC000369942608	556736584	/nfs/dbraw/zinc/73/65/84/556736584.db2.gz	BWSAIYMKRMEPFW-OXQOHEQNSA-N	1	1	368.485	2.038	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@H](N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)C1=O	ZINC000370236649	556819008	/nfs/dbraw/zinc/81/90/08/556819008.db2.gz	SXLOBHNUWGUWMO-QAETUUGQSA-N	1	1	356.495	2.141	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c1C	ZINC000370355158	556848975	/nfs/dbraw/zinc/84/89/75/556848975.db2.gz	LDRADMLDHJKOAE-RBUKOAKNSA-N	1	1	359.514	2.395	20	30		FEEDMO
Cc1cc(CN2CCC([N@@H+](C)C[C@@H](O)c3ccc(C#N)cc3)CC2)on1	ZINC000370557709	556908373	/nfs/dbraw/zinc/90/83/73/556908373.db2.gz	PCIQKRSHXLPITG-HXUWFJFHSA-N	1	1	354.454	2.485	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(Cc3cnc(C)s3)C[C@H]2C)CC1	ZINC000370942578	557023796	/nfs/dbraw/zinc/02/37/96/557023796.db2.gz	QRZKFWFTDSDJTI-DNVCBOLYSA-N	1	1	374.554	2.123	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000371282347	557130689	/nfs/dbraw/zinc/13/06/89/557130689.db2.gz	AJJWJJWOZVCMDM-GOSISDBHSA-N	1	1	353.426	2.236	20	30		FEEDMO
CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1	ZINC000517589608	562093404	/nfs/dbraw/zinc/09/34/04/562093404.db2.gz	STZASGIRCSSYJL-QGZVFWFLSA-N	1	1	355.486	2.379	20	30		FEEDMO
C#CCOc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1	ZINC000371762715	557285886	/nfs/dbraw/zinc/28/58/86/557285886.db2.gz	NWNHIPYIVSNJMV-PXNSSMCTSA-N	1	1	366.465	2.245	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCC[C@H](n3cc(C(=O)OC)nn3)C2)cc1	ZINC000372038225	557363727	/nfs/dbraw/zinc/36/37/27/557363727.db2.gz	NBRPQAWSJSBCHJ-KRWDZBQOSA-N	1	1	368.437	2.304	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@@H+](C)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000372184409	557402159	/nfs/dbraw/zinc/40/21/59/557402159.db2.gz	DBKUAOVVAAVAMN-UHFFFAOYSA-N	1	1	370.497	2.085	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1	ZINC000518972242	562122301	/nfs/dbraw/zinc/12/23/01/562122301.db2.gz	VVHCMVPYQKZKIO-RDJZCZTQSA-N	1	1	361.461	2.235	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3CCOC(=O)[C@H]32)sc2c1CCCC2	ZINC000372357069	557449093	/nfs/dbraw/zinc/44/90/93/557449093.db2.gz	OTTXMEURNZXDLR-SJCJKPOMSA-N	1	1	373.478	2.465	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@H]3CCOC(=O)[C@H]32)sc2c1CCCC2	ZINC000372357069	557449095	/nfs/dbraw/zinc/44/90/95/557449095.db2.gz	OTTXMEURNZXDLR-SJCJKPOMSA-N	1	1	373.478	2.465	20	30		FEEDMO
C=CCN(C(=O)c1ccc(C(N)=O)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372602686	557517715	/nfs/dbraw/zinc/51/77/15/557517715.db2.gz	WQMKAZFRRCKMCS-SFHVURJKSA-N	1	1	364.449	2.083	20	30		FEEDMO
CCc1cnc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)C2)o1	ZINC000372814164	557567548	/nfs/dbraw/zinc/56/75/48/557567548.db2.gz	YKXLPYGUGHSVAV-INIZCTEOSA-N	1	1	355.442	2.070	20	30		FEEDMO
CCc1cnc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)o1	ZINC000372814164	557567550	/nfs/dbraw/zinc/56/75/50/557567550.db2.gz	YKXLPYGUGHSVAV-INIZCTEOSA-N	1	1	355.442	2.070	20	30		FEEDMO
O=C(NCCNC1CC[NH+](CC2CCCCC2)CC1)C1N=CC=CC1=O	ZINC000373136238	557635942	/nfs/dbraw/zinc/63/59/42/557635942.db2.gz	COVAVMXFYPQODI-VXPUYCOJSA-N	1	1	360.502	2.147	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1	ZINC000374456264	557886233	/nfs/dbraw/zinc/88/62/33/557886233.db2.gz	KALRESBLJVKCKG-JKSUJKDBSA-N	1	1	367.519	2.370	20	30		FEEDMO
C[C@@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C1=CC[N@@H+](C)CC1	ZINC000374727538	557922190	/nfs/dbraw/zinc/92/21/90/557922190.db2.gz	BQKIYAXKXNUUEA-BEFAXECRSA-N	1	1	354.454	2.292	20	30		FEEDMO
N#Cc1ccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)nc1Cl	ZINC000375008001	557963224	/nfs/dbraw/zinc/96/32/24/557963224.db2.gz	IQRMMWLYOCJMPL-UHFFFAOYSA-N	1	1	362.861	2.372	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1	ZINC000375471097	558033056	/nfs/dbraw/zinc/03/30/56/558033056.db2.gz	PPQNTISZANVLSR-HZPDHXFCSA-N	1	1	354.410	2.048	20	30		FEEDMO
C#CCCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000375485628	558036086	/nfs/dbraw/zinc/03/60/86/558036086.db2.gz	VHDCJIXHNQQCAG-UXHICEINSA-N	1	1	350.466	2.165	20	30		FEEDMO
CC(C)(CCC#N)C[N@H+]1CCC[C@H](n2ncc(N3CCOCC3)cc2=O)C1	ZINC000375573071	558051086	/nfs/dbraw/zinc/05/10/86/558051086.db2.gz	VCSHANNJZXGCPR-KRWDZBQOSA-N	1	1	373.501	2.047	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)C[C@H](CC#N)c3ccccc3)CC2)C1	ZINC000375694214	558068808	/nfs/dbraw/zinc/06/88/08/558068808.db2.gz	WIDOGODAMUYIBV-VQTJNVASSA-N	1	1	354.498	2.312	20	30		FEEDMO
CCN(CCC#N)C(=O)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000375762098	558078745	/nfs/dbraw/zinc/07/87/45/558078745.db2.gz	XRFZULNUPABUKH-OAQYLSRUSA-N	1	1	354.498	2.347	20	30		FEEDMO
C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1csnn1	ZINC000521579152	562179268	/nfs/dbraw/zinc/17/92/68/562179268.db2.gz	URFIZGDCXMYLMW-CQSZACIVSA-N	1	1	370.482	2.388	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1	ZINC000375964841	558106333	/nfs/dbraw/zinc/10/63/33/558106333.db2.gz	VYOUYUSOLZSLQP-ZRGWGRIASA-N	1	1	355.442	2.207	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H]2OCC[C@H]2C1	ZINC000376042691	558118309	/nfs/dbraw/zinc/11/83/09/558118309.db2.gz	MTZBYEQWLMPYTF-XYJFISCASA-N	1	1	357.454	2.441	20	30		FEEDMO
CCCc1c(NC(=O)N2CC[NH+](C)CC2)cnn1-c1cccc(C#N)c1	ZINC000376252855	558148286	/nfs/dbraw/zinc/14/82/86/558148286.db2.gz	IVLKRPOKXGVGAY-UHFFFAOYSA-N	1	1	352.442	2.476	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1	ZINC000376641014	558201922	/nfs/dbraw/zinc/20/19/22/558201922.db2.gz	IHRYGACNCMRLOC-FXAWDEMLSA-N	1	1	374.529	2.155	20	30		FEEDMO
CC1(C)C[NH+](CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1	ZINC000521898127	562186037	/nfs/dbraw/zinc/18/60/37/562186037.db2.gz	RQAGEMHFAXDBKU-QGZVFWFLSA-N	1	1	360.889	2.391	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([NH+]3CCC(NC(=O)C4CCC4)CC3)C2=O)cc1	ZINC000377519514	558356005	/nfs/dbraw/zinc/35/60/05/558356005.db2.gz	NZVMAFACRSUSHI-IBGZPJMESA-N	1	1	366.465	2.044	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000377554019	558363321	/nfs/dbraw/zinc/36/33/21/558363321.db2.gz	KLNXJCZZAMQFDB-AWEZNQCLSA-N	1	1	355.446	2.381	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC1(C#N)CCCCC1	ZINC000377562401	558365169	/nfs/dbraw/zinc/36/51/69/558365169.db2.gz	DWHGZDYAMRCSCZ-KBAYOESNSA-N	1	1	360.502	2.193	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@@H]21	ZINC000378459776	558562512	/nfs/dbraw/zinc/56/25/12/558562512.db2.gz	ZPPHWSBYPUINRI-RISCZKNCSA-N	1	1	373.400	2.292	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1	ZINC000378564035	558584139	/nfs/dbraw/zinc/58/41/39/558584139.db2.gz	HVCXKPDWJUXKLK-LJQANCHMSA-N	1	1	359.433	2.471	20	30		FEEDMO
C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000392357355	558617228	/nfs/dbraw/zinc/61/72/28/558617228.db2.gz	NZYISSHGGAGKKN-RDJZCZTQSA-N	1	1	350.484	2.347	20	30		FEEDMO
C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000392357355	558617230	/nfs/dbraw/zinc/61/72/30/558617230.db2.gz	NZYISSHGGAGKKN-RDJZCZTQSA-N	1	1	350.484	2.347	20	30		FEEDMO
C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[NH+]1CCC(C)(C#N)CC1	ZINC000408160346	558652350	/nfs/dbraw/zinc/65/23/50/558652350.db2.gz	VHRHNEFCDCWPAM-INIZCTEOSA-N	1	1	356.470	2.055	20	30		FEEDMO
CC[N@@H+](CCC1CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC1)CC(C)C	ZINC000409479166	558695592	/nfs/dbraw/zinc/69/55/92/558695592.db2.gz	WAIPNBVQSPYLLB-KRWDZBQOSA-N	1	1	372.579	2.403	20	30		FEEDMO
C[C@@H](C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409851837	558723442	/nfs/dbraw/zinc/72/34/42/558723442.db2.gz	ANTHJMROWSAIHV-RYRKJORJSA-N	1	1	366.469	2.128	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000410131580	558740665	/nfs/dbraw/zinc/74/06/65/558740665.db2.gz	SDPIQAQYLNRORX-HOCLYGCPSA-N	1	1	370.544	2.201	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1	ZINC000410815882	558813565	/nfs/dbraw/zinc/81/35/65/558813565.db2.gz	UOSVBHUUQVOQSM-OALUTQOASA-N	1	1	355.482	2.001	20	30		FEEDMO
CC(C)OC[C@H](CO)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000411640346	558934014	/nfs/dbraw/zinc/93/40/14/558934014.db2.gz	VQXZPZSLAQQBED-HNNXBMFYSA-N	1	1	353.850	2.258	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1C#N	ZINC000411667268	558939585	/nfs/dbraw/zinc/93/95/85/558939585.db2.gz	HTRMRXAEOHNIRS-HNNXBMFYSA-N	1	1	372.469	2.132	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000413257937	559092733	/nfs/dbraw/zinc/09/27/33/559092733.db2.gz	GJSIIECMFFUDEP-IBGZPJMESA-N	1	1	372.513	2.026	20	30		FEEDMO
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NC3(C#N)CC[NH+](C)CC3)n2)n1	ZINC000526996475	562272495	/nfs/dbraw/zinc/27/24/95/562272495.db2.gz	XIFAAMKJYPEVJN-UHFFFAOYSA-N	1	1	372.860	2.255	20	30		FEEDMO
Cn1c2ccc(C[NH+]3CCN(c4cccc(C#N)n4)CC3)cc2sc1=O	ZINC000527233915	562281410	/nfs/dbraw/zinc/28/14/10/562281410.db2.gz	YQDWIHOVIVATHX-UHFFFAOYSA-N	1	1	365.462	2.189	20	30		FEEDMO
CC(C)(C)c1cc(C#N)c(NC(=O)C(=O)N2CC[NH2+]C[C@](C)(F)C2)s1	ZINC000415795617	559271908	/nfs/dbraw/zinc/27/19/08/559271908.db2.gz	YLJYWSCHCSIDSE-KRWDZBQOSA-N	1	1	366.462	2.016	20	30		FEEDMO
CCCC[C@H](C[NH3+])NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000418445067	559401937	/nfs/dbraw/zinc/40/19/37/559401937.db2.gz	MWUOAATXCMAISY-LJQANCHMSA-N	1	1	357.502	2.293	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC	ZINC000419155524	559430387	/nfs/dbraw/zinc/43/03/87/559430387.db2.gz	RRKUEOSGFFRXAA-RDJZCZTQSA-N	1	1	359.470	2.029	20	30		FEEDMO
C=CCC[C@H]1NC(=O)N(C[C@H]2CSCC[N@H+]2Cc2ccccc2)C1=O	ZINC000419938780	559465561	/nfs/dbraw/zinc/46/55/61/559465561.db2.gz	QGGPHKFJIGCYSD-DLBZAZTESA-N	1	1	359.495	2.491	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)NCc1ccc(C#N)s1)[NH+]1CCOCC1	ZINC000420765089	559503104	/nfs/dbraw/zinc/50/31/04/559503104.db2.gz	QAUIHXKMVSKXQG-AWEZNQCLSA-N	1	1	350.488	2.166	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@H](C)C[C@@H](CO)C1	ZINC000420950824	559513448	/nfs/dbraw/zinc/51/34/48/559513448.db2.gz	WQPFRBODLDJKEH-IXDOHACOSA-N	1	1	359.470	2.281	20	30		FEEDMO
CNC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000420980063	559516936	/nfs/dbraw/zinc/51/69/36/559516936.db2.gz	UBBGQGUJJVUUIZ-OLZOCXBDSA-N	1	1	374.510	2.284	20	30		FEEDMO
CNC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000420980063	559516937	/nfs/dbraw/zinc/51/69/37/559516937.db2.gz	UBBGQGUJJVUUIZ-OLZOCXBDSA-N	1	1	374.510	2.284	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c(C#N)cn1CC	ZINC000421173673	559528750	/nfs/dbraw/zinc/52/87/50/559528750.db2.gz	MCXSNBCQAZEFJQ-JSGCOSHPSA-N	1	1	361.446	2.161	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)cn1CC	ZINC000421179341	559529179	/nfs/dbraw/zinc/52/91/79/559529179.db2.gz	ZTNIZCXDALJDSP-TZMCWYRMSA-N	1	1	361.446	2.161	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000421298121	559536936	/nfs/dbraw/zinc/53/69/36/559536936.db2.gz	MLMQXJHNIBLMLG-ZDUSSCGKSA-N	1	1	368.359	2.068	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000422071215	559563766	/nfs/dbraw/zinc/56/37/66/559563766.db2.gz	MGVISYPJBIYUDN-QYZOEREBSA-N	1	1	355.482	2.033	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)CC[N@@H+]1Cc1ccccc1	ZINC000422480507	559590961	/nfs/dbraw/zinc/59/09/61/559590961.db2.gz	MNWCPTZHRBSVRS-GOSISDBHSA-N	1	1	370.497	2.165	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C(=O)NCC(C)(C)CC#N)CC[N@H+]1Cc1ccccc1	ZINC000422480507	559590962	/nfs/dbraw/zinc/59/09/62/559590962.db2.gz	MNWCPTZHRBSVRS-GOSISDBHSA-N	1	1	370.497	2.165	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1	ZINC000422520482	559592571	/nfs/dbraw/zinc/59/25/71/559592571.db2.gz	BZTCRISTFOPWKL-WOJBJXKFSA-N	1	1	371.525	2.384	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CCC)C1	ZINC000422548030	559594385	/nfs/dbraw/zinc/59/43/85/559594385.db2.gz	YIGZAQVEZPRFMO-RBUKOAKNSA-N	1	1	357.498	2.138	20	30		FEEDMO
C=CCn1c([C@H]2CCCS2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000424120341	559655371	/nfs/dbraw/zinc/65/53/71/559655371.db2.gz	GIDYDVHGAOWRPO-JKSUJKDBSA-N	1	1	363.531	2.191	20	30		FEEDMO
COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)CCN2C2CC2)c1	ZINC000424177942	559656657	/nfs/dbraw/zinc/65/66/57/559656657.db2.gz	VNHYXVXBFZTGNS-IPMKNSEASA-N	1	1	356.470	2.110	20	30		FEEDMO
C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[NH+](CCOC)CC1	ZINC000424257856	559659589	/nfs/dbraw/zinc/65/95/89/559659589.db2.gz	WQQNAJBKPGXGID-OAHLLOKOSA-N	1	1	351.520	2.191	20	30		FEEDMO
C=CCC1(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCOCC1	ZINC000424697107	559673879	/nfs/dbraw/zinc/67/38/79/559673879.db2.gz	NZAZUAOUEQFDBE-OAQYLSRUSA-N	1	1	358.482	2.113	20	30		FEEDMO
C=CCCn1cc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)nn1	ZINC000424807536	559677357	/nfs/dbraw/zinc/67/73/57/559677357.db2.gz	SQRJCEKRSZYNCL-KRWDZBQOSA-N	1	1	371.510	2.202	20	30		FEEDMO
C=CCCn1cc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)nn1	ZINC000424807536	559677358	/nfs/dbraw/zinc/67/73/58/559677358.db2.gz	SQRJCEKRSZYNCL-KRWDZBQOSA-N	1	1	371.510	2.202	20	30		FEEDMO
C=CCn1cc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nn1	ZINC000424908017	559679761	/nfs/dbraw/zinc/67/97/61/559679761.db2.gz	MTJOOZLFYWRKHV-MRXNPFEDSA-N	1	1	357.433	2.132	20	30		FEEDMO
CC(C)(C)N1CC[C@@H]([N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000425384562	559699190	/nfs/dbraw/zinc/69/91/90/559699190.db2.gz	MARWGRDYDRGJOA-LJQANCHMSA-N	1	1	354.498	2.465	20	30		FEEDMO
CC(C)(C)N1CC[C@@H](N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000425384562	559699191	/nfs/dbraw/zinc/69/91/91/559699191.db2.gz	MARWGRDYDRGJOA-LJQANCHMSA-N	1	1	354.498	2.465	20	30		FEEDMO
CC(C)(C)N1CC[C@@H](N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000425384562	559699192	/nfs/dbraw/zinc/69/91/92/559699192.db2.gz	MARWGRDYDRGJOA-LJQANCHMSA-N	1	1	354.498	2.465	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CC[C@H](C#N)C3)C2)cc(OC)c1	ZINC000425608304	559711453	/nfs/dbraw/zinc/71/14/53/559711453.db2.gz	IJLNQTFPDRWHFV-USXIJHARSA-N	1	1	372.469	2.270	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)N[C@@H]3CC[C@H](C#N)C3)C2)cc(OC)c1	ZINC000425608304	559711454	/nfs/dbraw/zinc/71/14/54/559711454.db2.gz	IJLNQTFPDRWHFV-USXIJHARSA-N	1	1	372.469	2.270	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1	ZINC000425809275	559720622	/nfs/dbraw/zinc/72/06/22/559720622.db2.gz	VZPPDNCULDYHGC-UHFFFAOYSA-N	1	1	373.497	2.313	20	30		FEEDMO
CC[C@@]1(O)CC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000425918227	559725197	/nfs/dbraw/zinc/72/51/97/559725197.db2.gz	LAEGLFUKADQGGQ-QGZVFWFLSA-N	1	1	354.372	2.020	20	30		FEEDMO
N#Cc1ccnc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-]	ZINC000428662595	559780654	/nfs/dbraw/zinc/78/06/54/559780654.db2.gz	ZKDWWRGYUXUINJ-INIZCTEOSA-N	1	1	369.450	2.891	20	30		FEEDMO
N#Cc1ccnc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-]	ZINC000428662595	559780655	/nfs/dbraw/zinc/78/06/55/559780655.db2.gz	ZKDWWRGYUXUINJ-INIZCTEOSA-N	1	1	369.450	2.891	20	30		FEEDMO
Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(C)c1	ZINC000428771056	559782840	/nfs/dbraw/zinc/78/28/40/559782840.db2.gz	HGDJZWAMWBYFQJ-RBUKOAKNSA-N	1	1	367.449	2.463	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)nc1	ZINC000428804110	559783629	/nfs/dbraw/zinc/78/36/29/559783629.db2.gz	GUNYKJKOUYNFAL-KRWDZBQOSA-N	1	1	354.366	2.394	20	30		FEEDMO
Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000428820338	559784001	/nfs/dbraw/zinc/78/40/01/559784001.db2.gz	URXXKYNKTXUFKY-VQIMIIECSA-N	1	1	364.449	2.420	20	30		FEEDMO
Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000428820338	559784002	/nfs/dbraw/zinc/78/40/02/559784002.db2.gz	URXXKYNKTXUFKY-VQIMIIECSA-N	1	1	364.449	2.420	20	30		FEEDMO
C=CC[C@H](CO)CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000429036847	559789843	/nfs/dbraw/zinc/78/98/43/559789843.db2.gz	UVDBFSYWYIZJJJ-ZWKOTPCHSA-N	1	1	363.527	2.088	20	30		FEEDMO
C=CC[C@H](CO)CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429036847	559789844	/nfs/dbraw/zinc/78/98/44/559789844.db2.gz	UVDBFSYWYIZJJJ-ZWKOTPCHSA-N	1	1	363.527	2.088	20	30		FEEDMO
C[N@H+](CCCNC(=O)C1CCC1)CC(=O)Nc1ccccc1SCC#N	ZINC000429546200	559800899	/nfs/dbraw/zinc/80/08/99/559800899.db2.gz	HJWBNLUZMMRLRK-UHFFFAOYSA-N	1	1	374.510	2.479	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C1CCC1)CC(=O)Nc1ccccc1SCC#N	ZINC000429546200	559800900	/nfs/dbraw/zinc/80/09/00/559800900.db2.gz	HJWBNLUZMMRLRK-UHFFFAOYSA-N	1	1	374.510	2.479	20	30		FEEDMO
COc1cc2c(cc1C[N@@H+]1CC[C@H](Oc3ccc(C#N)cn3)C1)OCO2	ZINC000430187336	559815052	/nfs/dbraw/zinc/81/50/52/559815052.db2.gz	OUPMMSZYNSAKPP-HNNXBMFYSA-N	1	1	353.378	2.344	20	30		FEEDMO
COc1cc2c(cc1C[N@H+]1CC[C@H](Oc3ccc(C#N)cn3)C1)OCO2	ZINC000430187336	559815053	/nfs/dbraw/zinc/81/50/53/559815053.db2.gz	OUPMMSZYNSAKPP-HNNXBMFYSA-N	1	1	353.378	2.344	20	30		FEEDMO
COc1c(C)c[nH+]c(Cn2cnc(NCc3ccc(C#N)s3)n2)c1C	ZINC000432740477	559863633	/nfs/dbraw/zinc/86/36/33/559863633.db2.gz	BECUDXKXSJXLGU-UHFFFAOYSA-N	1	1	354.439	2.892	20	30		FEEDMO
C[C@@H](C[NH+]1CCOCC1)N(C)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1	ZINC000432943368	559868369	/nfs/dbraw/zinc/86/83/69/559868369.db2.gz	HBMUHHMKZKWLPD-ZDUSSCGKSA-N	1	1	355.398	2.172	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H](C(N)=O)c1ccc(C#N)cc1	ZINC000434739662	559908334	/nfs/dbraw/zinc/90/83/34/559908334.db2.gz	WLCAZRISPNKDLG-SLFFLAALSA-N	1	1	363.465	2.104	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000434834844	559910526	/nfs/dbraw/zinc/91/05/26/559910526.db2.gz	VTAWXOXYEGAJPF-KRWDZBQOSA-N	1	1	366.469	2.207	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)no1	ZINC000435885688	559931835	/nfs/dbraw/zinc/93/18/35/559931835.db2.gz	MZHXGIUOBTVWGO-CQSZACIVSA-N	1	1	359.455	2.188	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)no1	ZINC000435885688	559931836	/nfs/dbraw/zinc/93/18/36/559931836.db2.gz	MZHXGIUOBTVWGO-CQSZACIVSA-N	1	1	359.455	2.188	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)CCC1	ZINC000527378171	562287151	/nfs/dbraw/zinc/28/71/51/562287151.db2.gz	YFEJLJFXABZNHV-UHFFFAOYSA-N	1	1	364.453	2.214	20	30		FEEDMO
CN(C)c1cc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)c2ccccc2n1	ZINC000439583471	559997314	/nfs/dbraw/zinc/99/73/14/559997314.db2.gz	YDURBOJZTYSRHM-HXUWFJFHSA-N	1	1	359.433	2.489	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000440056984	560003980	/nfs/dbraw/zinc/00/39/80/560003980.db2.gz	VILHASKSROROSQ-OAHLLOKOSA-N	1	1	353.463	2.191	20	30		FEEDMO
CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@H]1C	ZINC000441088756	560023336	/nfs/dbraw/zinc/02/33/36/560023336.db2.gz	QSAHWHCEUDEPIS-HUUCEWRRSA-N	1	1	372.469	2.225	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)C[C@H]1C	ZINC000441088756	560023337	/nfs/dbraw/zinc/02/33/37/560023337.db2.gz	QSAHWHCEUDEPIS-HUUCEWRRSA-N	1	1	372.469	2.225	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2CC(=O)OC)cc1	ZINC000441137331	560025091	/nfs/dbraw/zinc/02/50/91/560025091.db2.gz	FHRUUCVVKVFSPU-QGZVFWFLSA-N	1	1	373.453	2.359	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2CC(=O)OC)cc1	ZINC000441137331	560025092	/nfs/dbraw/zinc/02/50/92/560025092.db2.gz	FHRUUCVVKVFSPU-QGZVFWFLSA-N	1	1	373.453	2.359	20	30		FEEDMO
C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000443321231	560079620	/nfs/dbraw/zinc/07/96/20/560079620.db2.gz	PTRHTBYUYLFNAX-VKJFTORMSA-N	1	1	367.453	2.164	20	30		FEEDMO
C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000443321231	560079621	/nfs/dbraw/zinc/07/96/21/560079621.db2.gz	PTRHTBYUYLFNAX-VKJFTORMSA-N	1	1	367.453	2.164	20	30		FEEDMO
Cc1cccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1C#N	ZINC000443356692	560081598	/nfs/dbraw/zinc/08/15/98/560081598.db2.gz	YCRTYKJKHYKEMY-UHFFFAOYSA-N	1	1	361.442	2.416	20	30		FEEDMO
Cc1cccc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1C#N	ZINC000443356692	560081599	/nfs/dbraw/zinc/08/15/99/560081599.db2.gz	YCRTYKJKHYKEMY-UHFFFAOYSA-N	1	1	361.442	2.416	20	30		FEEDMO
Cc1cc(C)c(C(=O)NC2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)o1	ZINC000527578177	562295838	/nfs/dbraw/zinc/29/58/38/562295838.db2.gz	PEMRVFPWOKYCJH-OAHLLOKOSA-N	1	1	372.469	2.042	20	30		FEEDMO
C=CC[C@H]1[N@@H+](CC(=O)NCC(C)(C)N2CCOCC2)CCCC1(C)C	ZINC000444781212	560120785	/nfs/dbraw/zinc/12/07/85/560120785.db2.gz	GWUDMRXGYFJNST-QGZVFWFLSA-N	1	1	351.535	2.280	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1	ZINC000444806185	560121272	/nfs/dbraw/zinc/12/12/72/560121272.db2.gz	UBLBRYKYFBNSCV-MSOLQXFVSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1	ZINC000444806185	560121273	/nfs/dbraw/zinc/12/12/73/560121273.db2.gz	UBLBRYKYFBNSCV-MSOLQXFVSA-N	1	1	367.511	2.054	20	30		FEEDMO
CCO[C@H]1C[C@](CO)([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C1(C)C	ZINC000444806253	560121495	/nfs/dbraw/zinc/12/14/95/560121495.db2.gz	WSBPBVJKGSORTM-HNAYVOBHSA-N	1	1	356.426	2.264	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCC[N@H+]1C	ZINC000446629705	560148826	/nfs/dbraw/zinc/14/88/26/560148826.db2.gz	VXXUCUGMCMINHH-LTDKPHRXSA-N	1	1	371.485	2.425	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C	ZINC000447922454	560172973	/nfs/dbraw/zinc/17/29/73/560172973.db2.gz	AOJDJVYNKJRSBK-LQWHRVPQSA-N	1	1	373.497	2.037	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000447927569	560173423	/nfs/dbraw/zinc/17/34/23/560173423.db2.gz	BNVMSQZQXLIAFD-INIZCTEOSA-N	1	1	353.463	2.237	20	30		FEEDMO
COc1ccccc1CN1C(=O)C[C@H]([N@H+](C)Cc2cccc(C#N)c2)C1=O	ZINC000448555217	560189963	/nfs/dbraw/zinc/18/99/63/560189963.db2.gz	LJUVINXZIRUGCL-SFHVURJKSA-N	1	1	363.417	2.326	20	30		FEEDMO
COc1ccccc1CN1C(=O)C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1=O	ZINC000448555217	560189964	/nfs/dbraw/zinc/18/99/64/560189964.db2.gz	LJUVINXZIRUGCL-SFHVURJKSA-N	1	1	363.417	2.326	20	30		FEEDMO
COCC[N@H+]1CCCN(C(=O)c2cccc(C#N)c2Br)CC1	ZINC000448799934	560200064	/nfs/dbraw/zinc/20/00/64/560200064.db2.gz	YTXIJSSRBXYLRH-UHFFFAOYSA-N	1	1	366.259	2.115	20	30		FEEDMO
CN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCC[N@@H+](C)C1	ZINC000449943886	560245946	/nfs/dbraw/zinc/24/59/46/560245946.db2.gz	DFXURPOPIXAWSU-ZDUSSCGKSA-N	1	1	366.259	2.252	20	30		FEEDMO
CN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CCC[N@@H+](C)C1	ZINC000449944815	560246082	/nfs/dbraw/zinc/24/60/82/560246082.db2.gz	KVUVZEFDGDFKGR-LBPRGKRZSA-N	1	1	366.259	2.252	20	30		FEEDMO
CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451195128	560292473	/nfs/dbraw/zinc/29/24/73/560292473.db2.gz	XCWVQOUYOGYZFZ-AWEZNQCLSA-N	1	1	353.875	2.263	20	30		FEEDMO
CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451195128	560292474	/nfs/dbraw/zinc/29/24/74/560292474.db2.gz	XCWVQOUYOGYZFZ-AWEZNQCLSA-N	1	1	353.875	2.263	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)C[C@@H]1C	ZINC000451236053	560294923	/nfs/dbraw/zinc/29/49/23/560294923.db2.gz	MKIDWSUKJZIZAP-GUYCJALGSA-N	1	1	353.463	2.332	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451238807	560295173	/nfs/dbraw/zinc/29/51/73/560295173.db2.gz	DXPDJKIYTBXUEY-IUODEOHRSA-N	1	1	355.891	2.367	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)CC[N@@H+](Cc2ccccc2)C1	ZINC000451921636	560337542	/nfs/dbraw/zinc/33/75/42/560337542.db2.gz	CONDLMRZQPJYBX-KRWDZBQOSA-N	1	1	361.511	2.464	20	30		FEEDMO
CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccccc1S[C@H](C)CC#N	ZINC000451947703	560340068	/nfs/dbraw/zinc/34/00/68/560340068.db2.gz	QEFAMVNUOVHDGD-FVQBIDKESA-N	1	1	363.483	2.413	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000453608152	560391011	/nfs/dbraw/zinc/39/10/11/560391011.db2.gz	OQDQVAAIXZORJJ-ZDUSSCGKSA-N	1	1	362.861	2.193	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)c1	ZINC000453614853	560391249	/nfs/dbraw/zinc/39/12/49/560391249.db2.gz	FCTRKDNXFUKKHZ-UHFFFAOYSA-N	1	1	350.422	2.053	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453650639	560393399	/nfs/dbraw/zinc/39/33/99/560393399.db2.gz	HYKAGTHKUAYGGH-CQSZACIVSA-N	1	1	362.861	2.335	20	30		FEEDMO
C[N@@H+](CCNC(=O)C(=O)Nc1cccc(CC#N)c1)Cc1ccc(F)cc1	ZINC000453702003	560397983	/nfs/dbraw/zinc/39/79/83/560397983.db2.gz	UIFWNLOXDAQEPH-UHFFFAOYSA-N	1	1	368.412	2.078	20	30		FEEDMO
C=C(C)CCNC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000455310043	560477468	/nfs/dbraw/zinc/47/74/68/560477468.db2.gz	LRBCOQMIZPDFAY-SFHVURJKSA-N	1	1	358.486	2.149	20	30		FEEDMO
C[N@@H+](CCCCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)C1CC1	ZINC000455622555	560489621	/nfs/dbraw/zinc/48/96/21/560489621.db2.gz	UJFBGYMXMVVDHR-UHFFFAOYSA-N	1	1	373.476	2.403	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(CC#N)cc2Cl)[C@H](C)C1	ZINC000455740796	560493485	/nfs/dbraw/zinc/49/34/85/560493485.db2.gz	YQPNTUWSLBZNRU-OLZOCXBDSA-N	1	1	350.850	2.325	20	30		FEEDMO
CCN1CC[NH+](CC(C)(C)NC(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000455759643	560494061	/nfs/dbraw/zinc/49/40/61/560494061.db2.gz	LMTHXLIXWSTSFR-UHFFFAOYSA-N	1	1	364.881	2.144	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2cccc(CC#N)c2)CC1	ZINC000455957799	560501967	/nfs/dbraw/zinc/50/19/67/560501967.db2.gz	ZREFMWDDYVSKTA-UHFFFAOYSA-N	1	1	371.485	2.161	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2cccc(CC#N)c2)CC1	ZINC000455957799	560501968	/nfs/dbraw/zinc/50/19/68/560501968.db2.gz	ZREFMWDDYVSKTA-UHFFFAOYSA-N	1	1	371.485	2.161	20	30		FEEDMO
C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1	ZINC000456022986	560504873	/nfs/dbraw/zinc/50/48/73/560504873.db2.gz	NWYVNECXHICFJH-MRXNPFEDSA-N	1	1	357.498	2.431	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCC[N@H+]3CCCC3(C)C)C2)n1	ZINC000457052148	560545846	/nfs/dbraw/zinc/54/58/46/560545846.db2.gz	INOJRDSHFIVLSR-SFHVURJKSA-N	1	1	369.513	2.469	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000459038709	560663214	/nfs/dbraw/zinc/66/32/14/560663214.db2.gz	WKTHGXJDNXGDMP-WTGUMLROSA-N	1	1	355.482	2.493	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1C#N	ZINC000461232606	560764723	/nfs/dbraw/zinc/76/47/23/560764723.db2.gz	KEWAVWCAIPUVOL-QWHCGFSZSA-N	1	1	374.510	2.080	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1C#N	ZINC000461232606	560764724	/nfs/dbraw/zinc/76/47/24/560764724.db2.gz	KEWAVWCAIPUVOL-QWHCGFSZSA-N	1	1	374.510	2.080	20	30		FEEDMO
N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1	ZINC000461482731	560773729	/nfs/dbraw/zinc/77/37/29/560773729.db2.gz	SBFWOPNIZREIHS-OALUTQOASA-N	1	1	372.488	2.389	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[C@@H]2C#N)CC1	ZINC000461962773	560789842	/nfs/dbraw/zinc/78/98/42/560789842.db2.gz	GZCVCUOPCKTHSC-YLJYHZDGSA-N	1	1	369.513	2.316	20	30		FEEDMO
C[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1cccc(C#N)c1	ZINC000462046621	560793979	/nfs/dbraw/zinc/79/39/79/560793979.db2.gz	KQBXXKRWSZYDIM-FXAWDEMLSA-N	1	1	354.498	2.290	20	30		FEEDMO
CC(C)c1cc(N2CCN(c3ncccc3C#N)CC2)nc(N(C)C)[nH+]1	ZINC000462083652	560795924	/nfs/dbraw/zinc/79/59/24/560795924.db2.gz	IOSKDSXYLQBCGT-UHFFFAOYSA-N	1	1	351.458	2.259	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000464333818	560839037	/nfs/dbraw/zinc/83/90/37/560839037.db2.gz	KPZLNOFNOXRBQA-QGZVFWFLSA-N	1	1	357.454	2.326	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC000469328765	560952655	/nfs/dbraw/zinc/95/26/55/560952655.db2.gz	PFQUJWKAYGWVSX-MRXNPFEDSA-N	1	1	354.410	2.054	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000469605761	560959561	/nfs/dbraw/zinc/95/95/61/560959561.db2.gz	XHFROFIXEUBOQG-AWEZNQCLSA-N	1	1	372.425	2.389	20	30		FEEDMO
Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccc(F)cc1C#N	ZINC000470807112	560990075	/nfs/dbraw/zinc/99/00/75/560990075.db2.gz	XPGJFIBALWJNOD-HKUYNNGSSA-N	1	1	359.424	2.475	20	30		FEEDMO
Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ccc(F)cc1C#N	ZINC000470807112	560990076	/nfs/dbraw/zinc/99/00/76/560990076.db2.gz	XPGJFIBALWJNOD-HKUYNNGSSA-N	1	1	359.424	2.475	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCOC(F)(F)F)CC2)cc1	ZINC000473533705	561052089	/nfs/dbraw/zinc/05/20/89/561052089.db2.gz	PHGGTFCAGCZVKF-UHFFFAOYSA-N	1	1	370.375	2.312	20	30		FEEDMO
COC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)NCc1cccc(C#N)c1	ZINC000475745625	561104384	/nfs/dbraw/zinc/10/43/84/561104384.db2.gz	FXENDPVDGRQNQT-HXUWFJFHSA-N	1	1	351.450	2.364	20	30		FEEDMO
COC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1	ZINC000475745625	561104385	/nfs/dbraw/zinc/10/43/85/561104385.db2.gz	FXENDPVDGRQNQT-HXUWFJFHSA-N	1	1	351.450	2.364	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H](C)C1	ZINC000476548218	561122261	/nfs/dbraw/zinc/12/22/61/561122261.db2.gz	RQBKWXLHXRFSEY-WMZOPIPTSA-N	1	1	357.454	2.170	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H](C)C1	ZINC000476548218	561122262	/nfs/dbraw/zinc/12/22/62/561122262.db2.gz	RQBKWXLHXRFSEY-WMZOPIPTSA-N	1	1	357.454	2.170	20	30		FEEDMO
CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000528405164	562327239	/nfs/dbraw/zinc/32/72/39/562327239.db2.gz	QIRMPOHPOGILOK-QAPCUYQASA-N	1	1	369.444	2.256	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12	ZINC000528454154	562330321	/nfs/dbraw/zinc/33/03/21/562330321.db2.gz	YCEDCTMVCRDLJK-RXVVDRJESA-N	1	1	350.418	2.429	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1C[C@H](O)COc1ccccc1C#N	ZINC000528513876	562333480	/nfs/dbraw/zinc/33/34/80/562333480.db2.gz	WLXKLYCZTGPUMS-NUJGCVRESA-N	1	1	373.497	2.265	20	30		FEEDMO
C[N@@H+](C[C@H](O)COc1ccccc1C#N)C1CCN(CC(F)(F)F)CC1	ZINC000528518006	562333647	/nfs/dbraw/zinc/33/36/47/562333647.db2.gz	OYDQPLOKAKPHFL-INIZCTEOSA-N	1	1	371.403	2.256	20	30		FEEDMO
C[N@H+]1CCN(C[C@H](O)COc2ccccc2C#N)[C@@H](Cc2ccccc2)C1	ZINC000528535426	562334894	/nfs/dbraw/zinc/33/48/94/562334894.db2.gz	UYIOOQDMRWLBDQ-SFTDATJTSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@H+](C[C@H](O)COc2ccccc2C#N)[C@@H](Cc2ccccc2)C1	ZINC000528535426	562334895	/nfs/dbraw/zinc/33/48/95/562334895.db2.gz	UYIOOQDMRWLBDQ-SFTDATJTSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)[C@@H](Cc2ccccc2)C1	ZINC000528535426	562334896	/nfs/dbraw/zinc/33/48/96/562334896.db2.gz	UYIOOQDMRWLBDQ-SFTDATJTSA-N	1	1	365.477	2.157	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CC4(CCOCC4)CC[C@H]3CO)o2)cc1	ZINC000528639421	562339648	/nfs/dbraw/zinc/33/96/48/562339648.db2.gz	KMPHHPQFBHSDAY-KRWDZBQOSA-N	1	1	368.437	2.362	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CC[N@H+]3C3CCCC3)cc2C1=O	ZINC000530026666	562395049	/nfs/dbraw/zinc/39/50/49/562395049.db2.gz	NDNXBLDCHISIER-MRXNPFEDSA-N	1	1	367.449	2.215	20	30		FEEDMO
C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1O	ZINC000530108939	562398693	/nfs/dbraw/zinc/39/86/93/562398693.db2.gz	ULKWNMMLRFAKQY-SJORKVTESA-N	1	1	351.468	2.281	20	30		FEEDMO
C=CCc1cc(OC)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1O	ZINC000530108939	562398694	/nfs/dbraw/zinc/39/86/94/562398694.db2.gz	ULKWNMMLRFAKQY-SJORKVTESA-N	1	1	351.468	2.281	20	30		FEEDMO
Cc1ccccc1C(=O)NC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1	ZINC000530335345	562407277	/nfs/dbraw/zinc/40/72/77/562407277.db2.gz	GICNJTPGFOQOKX-INIZCTEOSA-N	1	1	368.481	2.140	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)c1C#N	ZINC000530413775	562410132	/nfs/dbraw/zinc/41/01/32/562410132.db2.gz	AGUYSDBSMXJYPV-PXAZEXFGSA-N	1	1	370.428	2.499	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)c1C#N	ZINC000530413775	562410133	/nfs/dbraw/zinc/41/01/33/562410133.db2.gz	AGUYSDBSMXJYPV-PXAZEXFGSA-N	1	1	370.428	2.499	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)Cc3cccc(C#N)c3)CC2)C[C@H](C)O1	ZINC000530676266	562420184	/nfs/dbraw/zinc/42/01/84/562420184.db2.gz	ULLZUCNIFYIXFP-CALCHBBNSA-N	1	1	355.482	2.449	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1	ZINC000531044476	562432769	/nfs/dbraw/zinc/43/27/69/562432769.db2.gz	NCVGWPGHHKKQLT-LSDHHAIUSA-N	1	1	374.510	2.477	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)c1ccc(Cl)cc1	ZINC000531095117	562434515	/nfs/dbraw/zinc/43/45/15/562434515.db2.gz	AJVUQQRXSORYHS-INIZCTEOSA-N	1	1	364.858	2.188	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)cc1	ZINC000534109160	562525388	/nfs/dbraw/zinc/52/53/88/562525388.db2.gz	COZGXDNSUWZYNQ-DLBZAZTESA-N	1	1	359.470	2.425	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]([C@H](C)O)C2)cc1	ZINC000534109160	562525389	/nfs/dbraw/zinc/52/53/89/562525389.db2.gz	COZGXDNSUWZYNQ-DLBZAZTESA-N	1	1	359.470	2.425	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)OCC	ZINC000534185278	562527001	/nfs/dbraw/zinc/52/70/01/562527001.db2.gz	LDUVQCRPYMSITJ-AABGKKOBSA-N	1	1	360.498	2.357	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C[C@H]2CCC[C@H]2O)cc1	ZINC000535118608	562551476	/nfs/dbraw/zinc/55/14/76/562551476.db2.gz	UYPCCNSSXKUPQE-VQIMIIECSA-N	1	1	359.470	2.425	20	30		FEEDMO
N#Cc1c(F)cccc1OCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000535134833	562551661	/nfs/dbraw/zinc/55/16/61/562551661.db2.gz	QEIWHHQKPZELJE-UHFFFAOYSA-N	1	1	353.397	2.421	20	30		FEEDMO
COC(=O)c1cccc(C[NH+]2CCC(C(=O)N(C)C(C)C)CC2)c1C#N	ZINC000535226428	562553400	/nfs/dbraw/zinc/55/34/00/562553400.db2.gz	OEUISIYLNPWABK-UHFFFAOYSA-N	1	1	357.454	2.424	20	30		FEEDMO
N#Cc1ccc(OC2CCC(NC(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)nc1	ZINC000536651857	562580437	/nfs/dbraw/zinc/58/04/37/562580437.db2.gz	MCIDAYZQJODTEN-PQUAAJSLSA-N	1	1	369.469	2.179	20	30		FEEDMO
COCCOc1ccc(C[NH+]2CCN(c3cccc(C#N)n3)CC2)cc1	ZINC000545553136	562628797	/nfs/dbraw/zinc/62/87/97/562628797.db2.gz	YQDVPGBHUKHNQI-UHFFFAOYSA-N	1	1	352.438	2.301	20	30		FEEDMO
C[NH+]1CCN(c2ccc(-c3noc(-c4cc(C#N)cs4)n3)cn2)CC1	ZINC000546311539	562635981	/nfs/dbraw/zinc/63/59/81/562635981.db2.gz	GIIOBZMXUHGXGH-UHFFFAOYSA-N	1	1	352.423	2.484	20	30		FEEDMO
N#CCC1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1	ZINC000602149908	567937390	/nfs/dbraw/zinc/93/73/90/567937390.db2.gz	XWFYSQZVIBHKOL-GHTZIAJQSA-N	1	1	353.466	2.335	20	30		FEEDMO
C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(N2CCN(C)CC2)nc1	ZINC000602510603	567989165	/nfs/dbraw/zinc/98/91/65/567989165.db2.gz	KCGZISJTVMZIGN-QGZVFWFLSA-N	1	1	357.502	2.022	20	30		FEEDMO
N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)CCOCC1	ZINC000602882022	568004614	/nfs/dbraw/zinc/00/46/14/568004614.db2.gz	IRNKZSADTPSTSQ-ZWKOTPCHSA-N	1	1	366.465	2.490	20	30		FEEDMO
N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)CCOCC1	ZINC000602882020	568004689	/nfs/dbraw/zinc/00/46/89/568004689.db2.gz	IRNKZSADTPSTSQ-QZTJIDSGSA-N	1	1	366.465	2.490	20	30		FEEDMO
CO[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@](C)(CO)C1	ZINC000602963401	568023562	/nfs/dbraw/zinc/02/35/62/568023562.db2.gz	FNZUWDREWGADBR-PXNSSMCTSA-N	1	1	359.470	2.022	20	30		FEEDMO
CO[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)[C@](C)(CO)C1	ZINC000602963401	568023563	/nfs/dbraw/zinc/02/35/63/568023563.db2.gz	FNZUWDREWGADBR-PXNSSMCTSA-N	1	1	359.470	2.022	20	30		FEEDMO
CCOC(=O)c1nnn(C2CC[NH+](CC3(C#N)CC3)CC2)c1C(F)F	ZINC000602968304	568025571	/nfs/dbraw/zinc/02/55/71/568025571.db2.gz	BKVMAJRLPSACTO-UHFFFAOYSA-N	1	1	353.373	2.333	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(c2cc(C(=O)OC)on2)CC1	ZINC000602999894	568043800	/nfs/dbraw/zinc/04/38/00/568043800.db2.gz	PHHSRJHJESIHSE-CQSZACIVSA-N	1	1	361.442	2.230	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000603554262	568116480	/nfs/dbraw/zinc/11/64/80/568116480.db2.gz	VURYPQFCVDUMFF-BTYIYWSLSA-N	1	1	370.497	2.454	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000603554262	568116481	/nfs/dbraw/zinc/11/64/81/568116481.db2.gz	VURYPQFCVDUMFF-BTYIYWSLSA-N	1	1	370.497	2.454	20	30		FEEDMO
N#CCCN(C(=O)CN1CCC[N@@H+](C[C@H]2CCCO2)CC1)c1ccccc1	ZINC000603848320	568163378	/nfs/dbraw/zinc/16/33/78/568163378.db2.gz	KTQHBPQHEOGRCI-HXUWFJFHSA-N	1	1	370.497	2.120	20	30		FEEDMO
COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C)Cc1cccc(C#N)c1	ZINC000737033665	598983068	/nfs/dbraw/zinc/98/30/68/598983068.db2.gz	WTZKNLHJUIHNRB-UHFFFAOYSA-N	1	1	364.409	2.258	20	30		FEEDMO
C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc(Br)cc1C#N	ZINC000558118566	674483728	/nfs/dbraw/zinc/48/37/28/674483728.db2.gz	KOITUVRTXHZMNC-CYBMUJFWSA-N	1	1	352.276	2.473	20	30		FEEDMO
C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(Br)cc1C#N	ZINC000558118566	674483732	/nfs/dbraw/zinc/48/37/32/674483732.db2.gz	KOITUVRTXHZMNC-CYBMUJFWSA-N	1	1	352.276	2.473	20	30		FEEDMO
C[C@H](C[NH+]1CCOCC1)N(C)Cc1ccc(Br)cc1C#N	ZINC000558118566	674483734	/nfs/dbraw/zinc/48/37/34/674483734.db2.gz	KOITUVRTXHZMNC-CYBMUJFWSA-N	1	1	352.276	2.473	20	30		FEEDMO
C#CC[C@@]1(C(=O)NCC[N@H+](C)C(C)C)CCCN1C(=O)OC(C)(C)C	ZINC000809647136	674502961	/nfs/dbraw/zinc/50/29/61/674502961.db2.gz	KHUJPEYZPORUDS-IBGZPJMESA-N	1	1	351.491	2.236	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1	ZINC000810070658	674529493	/nfs/dbraw/zinc/52/94/93/674529493.db2.gz	RQZJAVLZAGBMFH-KGLIPLIRSA-N	1	1	363.424	2.190	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1	ZINC000811446039	674604283	/nfs/dbraw/zinc/60/42/83/674604283.db2.gz	RXAKWCQYIHJHHO-VHSSKADRSA-N	1	1	355.454	2.185	20	30		FEEDMO
C#C[C@H](NC(=O)NCCCCN1CC[NH+](C)CC1)c1ccc(Cl)cc1	ZINC000811859556	674633970	/nfs/dbraw/zinc/63/39/70/674633970.db2.gz	UCZVBKMSYGBVLY-SFHVURJKSA-N	1	1	362.905	2.341	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(C(=O)NCc3ccc(C#N)cn3)CC2)cs1	ZINC000813710521	674772666	/nfs/dbraw/zinc/77/26/66/674772666.db2.gz	LXWCAGACYOXDDE-UHFFFAOYSA-N	1	1	355.467	2.247	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1	ZINC000816642420	675070080	/nfs/dbraw/zinc/07/00/80/675070080.db2.gz	YXAHTDCHJWGWQV-HNNXBMFYSA-N	1	1	360.845	2.273	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H]2C[N@@H+](C)C[C@H]21	ZINC000564879854	675071471	/nfs/dbraw/zinc/07/14/71/675071471.db2.gz	CNOOYSBKWQGHFB-DVOMOZLQSA-N	1	1	358.511	2.461	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1	ZINC000816642420	675070078	/nfs/dbraw/zinc/07/00/78/675070078.db2.gz	YXAHTDCHJWGWQV-HNNXBMFYSA-N	1	1	360.845	2.273	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cscc3C#N)cc2)CC1	ZINC000570266452	670686693	/nfs/dbraw/zinc/68/66/93/670686693.db2.gz	DPRUQHFKELAMBJ-UHFFFAOYSA-N	1	1	354.435	2.260	20	30		FEEDMO
C[NH+]=C(NCC1(N(C)C)CCOCC1)N(C)Cc1ccccc1Cl	ZINC000088382532	670691296	/nfs/dbraw/zinc/69/12/96/670691296.db2.gz	NBMKVPJWKFAWOB-UHFFFAOYSA-N	1	1	352.910	2.458	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)nn1	ZINC000565770223	675149956	/nfs/dbraw/zinc/14/99/56/675149956.db2.gz	KVZDRVYDTMEINF-DYVFJYSZSA-N	1	1	350.850	2.346	20	30		FEEDMO
CC(C)[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000571726301	670917206	/nfs/dbraw/zinc/91/72/06/670917206.db2.gz	VEJKJCNIDHJJRI-AWEZNQCLSA-N	1	1	362.499	2.476	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)Cc2ccc(CC#N)cc2)CC[N@H+](C2CCC2)C1	ZINC000577844763	671623933	/nfs/dbraw/zinc/62/39/33/671623933.db2.gz	AXTPTMDCKWMOJT-MRXNPFEDSA-N	1	1	361.511	2.389	20	30		FEEDMO
C[C@](O)(CNc1c(C#N)cnc2c(Cl)cccc21)C[NH+]1CCOCC1	ZINC000577949495	671630219	/nfs/dbraw/zinc/63/02/19/671630219.db2.gz	PUASDFPFKIQECL-SFHVURJKSA-N	1	1	360.845	2.255	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000583592546	672109596	/nfs/dbraw/zinc/10/95/96/672109596.db2.gz	MXEIDNVLXHJWJI-NSHDSACASA-N	1	1	374.304	2.328	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2	ZINC000180467890	672414004	/nfs/dbraw/zinc/41/40/04/672414004.db2.gz	YQEMTHWVILXLGL-MNOVXSKESA-N	1	1	367.243	2.009	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)C[C@H](C)N1C(=O)OC(C)(C)C	ZINC000181569645	672428147	/nfs/dbraw/zinc/42/81/47/672428147.db2.gz	HMLALIHZKQILRR-GASCZTMLSA-N	1	1	352.479	2.078	20	30		FEEDMO
COc1ccccc1S(=O)(=O)CCCO[NH+]=C(N)Cc1ccccc1	ZINC000185093339	672518803	/nfs/dbraw/zinc/51/88/03/672518803.db2.gz	HFMHQSNPSYIFTI-UHFFFAOYSA-N	1	1	362.451	2.391	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@@H]1C	ZINC000590684803	672601921	/nfs/dbraw/zinc/60/19/21/672601921.db2.gz	SLXOKWJANFNHDY-LBPRGKRZSA-N	1	1	366.259	2.252	20	30		FEEDMO
COCC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1	ZINC000611500479	676041012	/nfs/dbraw/zinc/04/10/12/676041012.db2.gz	CUSAEYXLDCNMHU-UHFFFAOYSA-N	1	1	366.259	2.048	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)sc2c1CCCC2	ZINC000593100587	672876283	/nfs/dbraw/zinc/87/62/83/672876283.db2.gz	LILJVOKFXCJKHB-CTRJTCCGSA-N	1	1	363.508	2.032	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)sc2c1CCCC2	ZINC000593100587	672876290	/nfs/dbraw/zinc/87/62/90/672876290.db2.gz	LILJVOKFXCJKHB-CTRJTCCGSA-N	1	1	363.508	2.032	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc(Br)cc1C#N	ZINC000593165341	672885727	/nfs/dbraw/zinc/88/57/27/672885727.db2.gz	DNSCLELLCPAGIX-OAHLLOKOSA-N	1	1	350.260	2.416	20	30		FEEDMO
COCCOCC[NH+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1	ZINC000593518087	672932489	/nfs/dbraw/zinc/93/24/89/672932489.db2.gz	OOSXDGJFTICYLV-UHFFFAOYSA-N	1	1	357.376	2.362	20	30		FEEDMO
N#Cc1sccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000593588852	672951913	/nfs/dbraw/zinc/95/19/13/672951913.db2.gz	NSWUWMHTXLVNBX-HNNXBMFYSA-N	1	1	361.492	2.420	20	30		FEEDMO
CC[C@@H](C#N)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1	ZINC000593737388	672985162	/nfs/dbraw/zinc/98/51/62/672985162.db2.gz	KETQMPCLYCFEPN-NSHDSACASA-N	1	1	366.263	2.084	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCCN(Cc2cscn2)CC1	ZINC000328898140	673069216	/nfs/dbraw/zinc/06/92/16/673069216.db2.gz	XWLHDHBKIRKXDI-IAGOWNOFSA-N	1	1	363.531	2.192	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C[C@@H](C)S1(=O)=O	ZINC000329804624	673083645	/nfs/dbraw/zinc/08/36/45/673083645.db2.gz	KGFVYFCITYSLMA-IXDOHACOSA-N	1	1	373.563	2.166	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)N1CCC2(C1)CCOCC2)[NH+]1CCOCC1	ZINC000329806012	673083659	/nfs/dbraw/zinc/08/36/59/673083659.db2.gz	KZGCZDKJZNURDX-KRWDZBQOSA-N	1	1	353.507	2.150	20	30		FEEDMO
N#Cc1ccc(-n2cc(C[N@H+]3CCC[C@H]3CO)nn2)cc1C(F)(F)F	ZINC000594658205	673109516	/nfs/dbraw/zinc/10/95/16/673109516.db2.gz	VDHSYLXZRJNSEC-AWEZNQCLSA-N	1	1	351.332	2.114	20	30		FEEDMO
N#Cc1ccc(-n2cc(C[N@@H+]3CCC[C@H]3CO)nn2)cc1C(F)(F)F	ZINC000594658205	673109520	/nfs/dbraw/zinc/10/95/20/673109520.db2.gz	VDHSYLXZRJNSEC-AWEZNQCLSA-N	1	1	351.332	2.114	20	30		FEEDMO
N#Cc1ccc(-n2cc(C[N@H+]3CCC[C@@H]3CO)nn2)cc1C(F)(F)F	ZINC000594658206	673109622	/nfs/dbraw/zinc/10/96/22/673109622.db2.gz	VDHSYLXZRJNSEC-CQSZACIVSA-N	1	1	351.332	2.114	20	30		FEEDMO
N#Cc1ccc(-n2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)cc1C(F)(F)F	ZINC000594658206	673109624	/nfs/dbraw/zinc/10/96/24/673109624.db2.gz	VDHSYLXZRJNSEC-CQSZACIVSA-N	1	1	351.332	2.114	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000595074692	673190814	/nfs/dbraw/zinc/19/08/14/673190814.db2.gz	UBWHZRXGEMAYPN-ZDUSSCGKSA-N	1	1	362.861	2.387	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1	ZINC000595357483	673231998	/nfs/dbraw/zinc/23/19/98/673231998.db2.gz	ZVAFITXHAAEPBE-GFCCVEGCSA-N	1	1	361.389	2.340	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2ccsc2C#N)CC1	ZINC000595498114	673258402	/nfs/dbraw/zinc/25/84/02/673258402.db2.gz	BMNGHZRYTBKLEU-OAHLLOKOSA-N	1	1	361.515	2.326	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1cc(Br)ccc1F	ZINC000730281318	673268510	/nfs/dbraw/zinc/26/85/10/673268510.db2.gz	TWXWEIMALFHKGH-HNNXBMFYSA-N	1	1	353.235	2.345	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1cc(Br)ccc1F	ZINC000730281318	673268511	/nfs/dbraw/zinc/26/85/11/673268511.db2.gz	TWXWEIMALFHKGH-HNNXBMFYSA-N	1	1	353.235	2.345	20	30		FEEDMO
C=CCCSCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1	ZINC000595579933	673269248	/nfs/dbraw/zinc/26/92/48/673269248.db2.gz	DIYDMAKEIOQGLI-GOSISDBHSA-N	1	1	363.527	2.362	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000595743181	673288080	/nfs/dbraw/zinc/28/80/80/673288080.db2.gz	QXLLUBYBDOWOMS-KFNAQCHYSA-N	1	1	360.845	2.139	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1	ZINC000595743181	673288083	/nfs/dbraw/zinc/28/80/83/673288083.db2.gz	QXLLUBYBDOWOMS-KFNAQCHYSA-N	1	1	360.845	2.139	20	30		FEEDMO
CCC(Cc1cccs1)=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000730946388	673296314	/nfs/dbraw/zinc/29/63/14/673296314.db2.gz	SLMFVIXNBOGBNT-UHFFFAOYSA-N	1	1	354.545	2.243	20	30		FEEDMO
C[NH+](C)[C@@H](C(=O)NCCNc1ncccc1C#N)c1cccc(Cl)c1	ZINC000731871020	673345883	/nfs/dbraw/zinc/34/58/83/673345883.db2.gz	CIPUFMAXYFVVFY-MRXNPFEDSA-N	1	1	357.845	2.438	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCN(C(=O)OCC)CC1)CC1CCCCC1	ZINC000732667599	673377291	/nfs/dbraw/zinc/37/72/91/673377291.db2.gz	SZQKVPPHJNCDBO-UHFFFAOYSA-N	1	1	351.491	2.355	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCC[C@@H]1CSC	ZINC000597283835	673463384	/nfs/dbraw/zinc/46/33/84/673463384.db2.gz	HXBVQWVTXUSBHL-OAGGEKHMSA-N	1	1	363.531	2.332	20	30		FEEDMO
C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599308841	673656679	/nfs/dbraw/zinc/65/66/79/673656679.db2.gz	YBLWIZNHNUVWND-VFHHBZAHSA-N	1	1	364.511	2.488	20	30		FEEDMO
N#CC1(NC(=O)C[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CCC1	ZINC000599544054	673689850	/nfs/dbraw/zinc/68/98/50/673689850.db2.gz	HMCKWUOHYMUQPM-IUODEOHRSA-N	1	1	353.344	2.073	20	30		FEEDMO
Fc1ccc2oc(C=NNC(=S)NCCC[NH+]3CCOCC3)cc2c1	ZINC000741758547	673696638	/nfs/dbraw/zinc/69/66/38/673696638.db2.gz	VBVQMFIBUWTQMW-UHFFFAOYSA-N	1	1	364.446	2.092	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)NC2CC([NH+]3CCOCC3)C2)c(Cl)c1	ZINC000600066142	673738230	/nfs/dbraw/zinc/73/82/30/673738230.db2.gz	FYNAQHADLHCGKR-UHFFFAOYSA-N	1	1	354.237	2.458	20	30		FEEDMO
C[C@@H](C(=O)N1CCC(Nc2ccccc2C#N)CC1)[NH+]1CCSCC1	ZINC000602188444	673903164	/nfs/dbraw/zinc/90/31/64/673903164.db2.gz	CIFXPVPVAZCSHJ-HNNXBMFYSA-N	1	1	358.511	2.398	20	30		FEEDMO
CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc(C#N)n2)cc1	ZINC000602522440	673907487	/nfs/dbraw/zinc/90/74/87/673907487.db2.gz	UQCQRTONVGEACF-UHFFFAOYSA-N	1	1	358.467	2.272	20	30		FEEDMO
N#Cc1ccsc1NC(=O)C[NH2+][C@H](c1ccncc1)C1(CO)CCC1	ZINC000602900542	673913579	/nfs/dbraw/zinc/91/35/79/673913579.db2.gz	CUUBRBGYEVUZEK-MRXNPFEDSA-N	1	1	356.451	2.447	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603290543	673922830	/nfs/dbraw/zinc/92/28/30/673922830.db2.gz	CCEPKOVNKGZTBZ-MRXNPFEDSA-N	1	1	350.488	2.023	20	30		FEEDMO
N#Cc1cc(N2CCC[C@@H]([NH+]3CCOCC3)C2)ncc1Br	ZINC000603388176	673929076	/nfs/dbraw/zinc/92/90/76/673929076.db2.gz	VMZRLDXEOVDRFO-CYBMUJFWSA-N	1	1	351.248	2.017	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1	ZINC000548766596	673993659	/nfs/dbraw/zinc/99/36/59/673993659.db2.gz	LRCMRURECQHNDE-NSHDSACASA-N	1	1	361.389	2.197	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1cn(C)nc1-c1ccc(Cl)s1	ZINC000818588900	675226099	/nfs/dbraw/zinc/22/60/99/675226099.db2.gz	JFZFWKARGUUVRH-UHFFFAOYSA-N	1	1	350.875	2.487	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CC	ZINC000818602916	675227735	/nfs/dbraw/zinc/22/77/35/675227735.db2.gz	JMSRAYYDAVVHBZ-HOTGVXAUSA-N	1	1	351.491	2.093	20	30		FEEDMO
CC1(C)Oc2ccsc2[C@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@H]1O	ZINC000821311875	675425905	/nfs/dbraw/zinc/42/59/05/675425905.db2.gz	OWFFLSJXSMJMON-GXTWGEPZSA-N	1	1	363.464	2.483	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N(CC)C2CC[NH+](C)CC2)c1	ZINC000821401148	675433160	/nfs/dbraw/zinc/43/31/60/675433160.db2.gz	QXNCAIWYIKCWMI-UHFFFAOYSA-N	1	1	362.495	2.040	20	30		FEEDMO
CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O	ZINC000823677132	675566831	/nfs/dbraw/zinc/56/68/31/675566831.db2.gz	QCKGFOBOENXVMU-LBTNJELSSA-N	1	1	352.479	2.029	20	30		FEEDMO
COCC[N@@H+]1[C@H](C)CN(c2ncc(Br)cc2C#N)C[C@@H]1C	ZINC000826632418	675696616	/nfs/dbraw/zinc/69/66/16/675696616.db2.gz	GMBVEKHEGFACOD-TXEJJXNPSA-N	1	1	353.264	2.261	20	30		FEEDMO
C=CCOCCCC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000608134279	675885615	/nfs/dbraw/zinc/88/56/15/675885615.db2.gz	RLYVWIBQVFGDJO-MRXNPFEDSA-N	1	1	351.516	2.136	20	30		FEEDMO
CC(C)[C@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)[NH+]1CCOCC1	ZINC000619754435	676393500	/nfs/dbraw/zinc/39/35/00/676393500.db2.gz	XKRXXPQXOSZARH-KRWDZBQOSA-N	1	1	364.877	2.368	20	30		FEEDMO
C=CCCOCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000677290196	679674358	/nfs/dbraw/zinc/67/43/58/679674358.db2.gz	IKAZLAGQQFEBBV-OALUTQOASA-N	1	1	351.535	2.375	20	30		FEEDMO
Cc1cc(C[NH2+]Cc2c(I)cnn2C)ccc1C#N	ZINC000865868498	684039364	/nfs/dbraw/zinc/03/93/64/684039364.db2.gz	KTUSRGMSLUMYEF-UHFFFAOYSA-N	1	1	366.206	2.495	20	30		FEEDMO
C=C(C)[C@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccc(F)c(F)c1	ZINC000651039800	677402660	/nfs/dbraw/zinc/40/26/60/677402660.db2.gz	UOLWRSXZTNISNH-PBHICJAKSA-N	1	1	351.397	2.042	20	30		FEEDMO
C=C(C)[C@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccc(F)c(F)c1	ZINC000651039800	677402662	/nfs/dbraw/zinc/40/26/62/677402662.db2.gz	UOLWRSXZTNISNH-PBHICJAKSA-N	1	1	351.397	2.042	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000761187924	680714206	/nfs/dbraw/zinc/71/42/06/680714206.db2.gz	OULSBOUVWAOBDI-MSOLQXFVSA-N	1	1	358.511	2.290	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1c(Br)nc2n1CCCC2	ZINC000838795057	680719886	/nfs/dbraw/zinc/71/98/86/680719886.db2.gz	ASACEQOBCBFVHT-GFCCVEGCSA-N	1	1	366.259	2.236	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1c(Br)nc2n1CCCC2	ZINC000838795057	680719888	/nfs/dbraw/zinc/71/98/88/680719888.db2.gz	ASACEQOBCBFVHT-GFCCVEGCSA-N	1	1	366.259	2.236	20	30		FEEDMO
N#CC1(NC(=O)c2ccc(Cl)nn2)CC[NH+](Cc2ccccc2)CC1	ZINC000839319815	680748931	/nfs/dbraw/zinc/74/89/31/680748931.db2.gz	XMBHMGNRELPPRE-UHFFFAOYSA-N	1	1	355.829	2.418	20	30		FEEDMO
C=CCCC1(CNC(=O)NC2CC[NH+](CC(=O)NC)CC2)CCCC1	ZINC000660329098	678324862	/nfs/dbraw/zinc/32/48/62/678324862.db2.gz	DBXUDRUMRWRQAX-UHFFFAOYSA-N	1	1	350.507	2.023	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)[C@H](C)COC	ZINC000661243351	678457520	/nfs/dbraw/zinc/45/75/20/678457520.db2.gz	JKNAEMAHNKBBLO-QAPCUYQASA-N	1	1	350.434	2.249	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)[C@H](C)COC	ZINC000661243351	678457524	/nfs/dbraw/zinc/45/75/24/678457524.db2.gz	JKNAEMAHNKBBLO-QAPCUYQASA-N	1	1	350.434	2.249	20	30		FEEDMO
C[C@H]1CN(Cn2nc(CC#N)n(C)c2=S)CC[N@H+]1Cc1ccccc1	ZINC000840178974	680804892	/nfs/dbraw/zinc/80/48/92/680804892.db2.gz	PMHCMMQCBKSWNG-HNNXBMFYSA-N	1	1	356.499	2.181	20	30		FEEDMO
C#CCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1	ZINC000840242797	680809535	/nfs/dbraw/zinc/80/95/35/680809535.db2.gz	BAXJRVDXBJOLAR-UHFFFAOYSA-N	1	1	350.260	2.346	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)Cc1nccs1	ZINC000669034622	679216200	/nfs/dbraw/zinc/21/62/00/679216200.db2.gz	TXKDCYATIZEFPZ-KGLIPLIRSA-N	1	1	360.487	2.093	20	30		FEEDMO
Fc1ccc(/C=C/C=NNC(=S)NCCC[NH+]2CCOCC2)cc1	ZINC000747745783	679900779	/nfs/dbraw/zinc/90/07/79/679900779.db2.gz	ANWFLPUFRMAZPR-NCCFKQSJSA-N	1	1	350.463	2.011	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1	ZINC000974587167	679960702	/nfs/dbraw/zinc/96/07/02/679960702.db2.gz	XTBHHZPWLRKGKO-BZUAXINKSA-N	1	1	367.921	2.166	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCn2cc(Cl)cn2)C1	ZINC001008848174	679968849	/nfs/dbraw/zinc/96/88/49/679968849.db2.gz	XCLWEAIMMUWFEN-IKGGRYGDSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001008848174	679968856	/nfs/dbraw/zinc/96/88/56/679968856.db2.gz	XCLWEAIMMUWFEN-IKGGRYGDSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(CC)s2)C1	ZINC001020715816	680113214	/nfs/dbraw/zinc/11/32/14/680113214.db2.gz	KTNKGDMADOUJPR-WSMBLCCSSA-N	1	1	364.515	2.209	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@H]2CC(C)(C)CO2)CC1	ZINC000982179563	680272951	/nfs/dbraw/zinc/27/29/51/680272951.db2.gz	WVYAEZLNWMMVDA-SQNIBIBYSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2	ZINC000995920824	680312190	/nfs/dbraw/zinc/31/21/90/680312190.db2.gz	WZWKNCFYKGVIEC-CBBWQLFWSA-N	1	1	353.894	2.107	20	30		FEEDMO
C[C@@H]1CC(N=Nc2ncnc3c2c(Br)nn3C)C[N@H+]1C1CC1	ZINC000753959186	680326984	/nfs/dbraw/zinc/32/69/84/680326984.db2.gz	FLPGFPKWEACOIP-MRVPVSSYSA-N	1	1	364.251	2.150	20	30		FEEDMO
CC(C)[N@H+]1CC(=NNS(=O)(=O)c2ccc(Br)cc2)[C@@H](C)C1	ZINC000754253311	680345587	/nfs/dbraw/zinc/34/55/87/680345587.db2.gz	CQIYCSQTMJJPFR-NSHDSACASA-N	1	1	374.304	2.444	20	30		FEEDMO
CC(C)[N@@H+]1CC(=NNS(=O)(=O)c2ccc(Br)cc2)[C@@H](C)C1	ZINC000754253311	680345590	/nfs/dbraw/zinc/34/55/90/680345590.db2.gz	CQIYCSQTMJJPFR-NSHDSACASA-N	1	1	374.304	2.444	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2csnn2)CC1	ZINC001026574137	680347560	/nfs/dbraw/zinc/34/75/60/680347560.db2.gz	JHQLPCSTSFKVLY-LCSXWQTCSA-N	1	1	364.515	2.426	20	30		FEEDMO
C=C(Br)CN(C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC001027417171	680356203	/nfs/dbraw/zinc/35/62/03/680356203.db2.gz	WLLPTACIDSMAHK-QLFBSQMISA-N	1	1	358.324	2.158	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3ccc(C#N)s3)C2)CC[N@@H+]1C	ZINC001028552567	680375805	/nfs/dbraw/zinc/37/58/05/680375805.db2.gz	QHSGVMKXNASANO-FHLIZLRMSA-N	1	1	360.527	2.288	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC001028552567	680375809	/nfs/dbraw/zinc/37/58/09/680375809.db2.gz	QHSGVMKXNASANO-FHLIZLRMSA-N	1	1	360.527	2.288	20	30		FEEDMO
O=C(NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1)[C@]12C[C@H]1COC2	ZINC001028555394	680376768	/nfs/dbraw/zinc/37/67/68/680376768.db2.gz	WMXATWURDYFWLM-KNBMTAEXSA-N	1	1	358.869	2.166	20	30		FEEDMO
O=C(NC[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1)[C@]12C[C@H]1COC2	ZINC001028555394	680376776	/nfs/dbraw/zinc/37/67/76/680376776.db2.gz	WMXATWURDYFWLM-KNBMTAEXSA-N	1	1	358.869	2.166	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1	ZINC001028695391	680380242	/nfs/dbraw/zinc/38/02/42/680380242.db2.gz	PVABGPIQSIYVPB-ZQDZILKHSA-N	1	1	357.292	2.148	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1	ZINC001028695391	680380244	/nfs/dbraw/zinc/38/02/44/680380244.db2.gz	PVABGPIQSIYVPB-ZQDZILKHSA-N	1	1	357.292	2.148	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000754904590	680388070	/nfs/dbraw/zinc/38/80/70/680388070.db2.gz	YDQQSORHKYLFEP-FGTMMUONSA-N	1	1	363.864	2.438	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000754904590	680388073	/nfs/dbraw/zinc/38/80/73/680388073.db2.gz	YDQQSORHKYLFEP-FGTMMUONSA-N	1	1	363.864	2.438	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cnns2)C1	ZINC001029862417	680393786	/nfs/dbraw/zinc/39/37/86/680393786.db2.gz	PDLDRFICDVGGFV-XIRDDKMYSA-N	1	1	364.515	2.190	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cnns2)C1	ZINC001029862417	680393790	/nfs/dbraw/zinc/39/37/90/680393790.db2.gz	PDLDRFICDVGGFV-XIRDDKMYSA-N	1	1	364.515	2.190	20	30		FEEDMO
CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1	ZINC001033279549	680421262	/nfs/dbraw/zinc/42/12/62/680421262.db2.gz	BJXCKAOOIJUDBU-OLMNPRSZSA-N	1	1	359.495	2.468	20	30		FEEDMO
CN(C(=O)[C@@H]1CCO[C@H]1C1CC1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC001033279549	680421264	/nfs/dbraw/zinc/42/12/64/680421264.db2.gz	BJXCKAOOIJUDBU-OLMNPRSZSA-N	1	1	359.495	2.468	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@H+](Cc2snnc2C)C1	ZINC001033839589	680425959	/nfs/dbraw/zinc/42/59/59/680425959.db2.gz	XZFUXOMJWWHAKZ-XHSDSOJGSA-N	1	1	364.515	2.251	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)[C@H]1CC[N@@H+](Cc2snnc2C)C1	ZINC001033839589	680425960	/nfs/dbraw/zinc/42/59/60/680425960.db2.gz	XZFUXOMJWWHAKZ-XHSDSOJGSA-N	1	1	364.515	2.251	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2snnc2C)CC1	ZINC000985435787	680447680	/nfs/dbraw/zinc/44/76/80/680447680.db2.gz	ORHPPNQDSWYTBZ-CVEARBPZSA-N	1	1	364.515	2.251	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([N@@H+](C)C[C@H]2CC(C)(C)CO2)CC1	ZINC000985662380	680467738	/nfs/dbraw/zinc/46/77/38/680467738.db2.gz	STIYJBQHEJCWKF-KURKYZTESA-N	1	1	350.503	2.315	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@]3(CCN(C(=O)[C@]45C[C@H]4COC5)C3)C2)s1	ZINC001041304963	680503848	/nfs/dbraw/zinc/50/38/48/680503848.db2.gz	QLTQLCXJSGCSPD-JVPBZIDWSA-N	1	1	357.479	2.081	20	30		FEEDMO
Fc1ccc(/C=C\C=NNC(=S)NCCC[NH+]2CCOCC2)c(F)c1	ZINC000758080816	680554238	/nfs/dbraw/zinc/55/42/38/680554238.db2.gz	XHSAYSDCMWTUDM-MFKVDARVSA-N	1	1	368.453	2.150	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[C@@H](C)CC(=O)N1)C2	ZINC001045939173	680641806	/nfs/dbraw/zinc/64/18/06/680641806.db2.gz	XCZBFLIFXNUOET-OGWOLHLISA-N	1	1	367.921	2.358	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CCCO)C2)C1	ZINC001045939254	680641854	/nfs/dbraw/zinc/64/18/54/680641854.db2.gz	YTDQELKCFGNWOQ-HBFSDRIKSA-N	1	1	350.503	2.055	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CCOC)C2)C1	ZINC001045974151	680642773	/nfs/dbraw/zinc/64/27/73/680642773.db2.gz	ZILIRRGSMVCMCK-CMKODMSKSA-N	1	1	350.503	2.319	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CCN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC001046330995	680646911	/nfs/dbraw/zinc/64/69/11/680646911.db2.gz	ZBAAWNISRKKGGG-YQVWRLOYSA-N	1	1	360.527	2.431	20	30		FEEDMO
C[C@]1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@H+](Cc2ccc(C#N)s2)C1	ZINC001046499087	680650133	/nfs/dbraw/zinc/65/01/33/680650133.db2.gz	PYNNRYNVQYIXQT-ORVJBUBXSA-N	1	1	357.479	2.124	20	30		FEEDMO
C[C@]1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC001046499087	680650136	/nfs/dbraw/zinc/65/01/36/680650136.db2.gz	PYNNRYNVQYIXQT-ORVJBUBXSA-N	1	1	357.479	2.124	20	30		FEEDMO
C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1	ZINC001046976083	680655677	/nfs/dbraw/zinc/65/56/77/680655677.db2.gz	CLCBDTFQYRUEPN-HRCADAONSA-N	1	1	352.429	2.173	20	30		FEEDMO
C#CC1CC[NH+]([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1	ZINC000843267557	680994419	/nfs/dbraw/zinc/99/44/19/680994419.db2.gz	AVSQGHKGMGNYIR-HNNXBMFYSA-N	1	1	361.239	2.426	20	30		FEEDMO
C=C(Br)CN1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1	ZINC001050050381	681039809	/nfs/dbraw/zinc/03/98/09/681039809.db2.gz	BAPPRNCXVDFRSN-QKPAOTATSA-N	1	1	370.335	2.158	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](CCc3ccns3)C[C@H]21	ZINC001050144246	681042180	/nfs/dbraw/zinc/04/21/80/681042180.db2.gz	MYBDPHWHZMMJIT-HPBDAGMYSA-N	1	1	361.511	2.200	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CCCC1CCC1	ZINC001050924786	681058155	/nfs/dbraw/zinc/05/81/55/681058155.db2.gz	JPEGXUWRXKDGGS-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CCCC1CCC1	ZINC001050924786	681058157	/nfs/dbraw/zinc/05/81/57/681058157.db2.gz	JPEGXUWRXKDGGS-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NCC2CC(Nc3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001052124787	681071831	/nfs/dbraw/zinc/07/18/31/681071831.db2.gz	VMHVWMGYVNZPNC-HBIQZDMRSA-N	1	1	367.906	2.315	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCCF)C2)O1	ZINC001053676811	681103739	/nfs/dbraw/zinc/10/37/39/681103739.db2.gz	KDOOYGCYHWWVPA-IKGGRYGDSA-N	1	1	354.466	2.067	20	30		FEEDMO
CC(Cc1ccc(Cl)cc1)=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000773194888	681129907	/nfs/dbraw/zinc/12/99/07/681129907.db2.gz	ZSDMNZDSESJEIY-UHFFFAOYSA-N	1	1	368.934	2.445	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC(Nc3snc(Cl)c3C#N)CC2)CC[N@H+]1C	ZINC001057443351	681160899	/nfs/dbraw/zinc/16/08/99/681160899.db2.gz	KZYAMPQRPSDPDC-ZYHUDNBSSA-N	1	1	367.906	2.411	20	30		FEEDMO
C#CCN1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1	ZINC000846100836	681183304	/nfs/dbraw/zinc/18/33/04/681183304.db2.gz	AMMFXWPFLARVFR-MJGOQNOKSA-N	1	1	359.539	2.434	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](CO)C[C@H](OCCOC)C1	ZINC000775207033	681285123	/nfs/dbraw/zinc/28/51/23/681285123.db2.gz	ZVJXKYHJVBBXPV-CVEARBPZSA-N	1	1	367.873	2.198	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](CO)C[C@H](OCCOC)C1	ZINC000775207033	681285126	/nfs/dbraw/zinc/28/51/26/681285126.db2.gz	ZVJXKYHJVBBXPV-CVEARBPZSA-N	1	1	367.873	2.198	20	30		FEEDMO
C#C[C@@H]1CCC[N@@H+](CC(=O)N(C)CC(=O)Nc2ccccc2SC)C1	ZINC000847032228	681323076	/nfs/dbraw/zinc/32/30/76/681323076.db2.gz	WCYHEGTVCHREFI-OAHLLOKOSA-N	1	1	359.495	2.151	20	30		FEEDMO
C#C[C@@H]1CCC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2SC)C1	ZINC000847032228	681323079	/nfs/dbraw/zinc/32/30/79/681323079.db2.gz	WCYHEGTVCHREFI-OAHLLOKOSA-N	1	1	359.495	2.151	20	30		FEEDMO
N#CC[C@@H](O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932944811	681332992	/nfs/dbraw/zinc/33/29/92/681332992.db2.gz	MYHJWCLOUSIVCA-BWZBUEFSSA-N	1	1	352.225	2.364	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)Nc2ccccc2S(=O)(=O)C2CC2)CC1	ZINC000933267851	681382225	/nfs/dbraw/zinc/38/22/25/681382225.db2.gz	CGQITTARMMSECB-UHFFFAOYSA-N	1	1	363.483	2.395	20	30		FEEDMO
COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cc(C#N)cs2)cc1	ZINC000933779380	681467428	/nfs/dbraw/zinc/46/74/28/681467428.db2.gz	CAILQAMMHGZNCS-HNNXBMFYSA-N	1	1	360.435	2.278	20	30		FEEDMO
CN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+](C)CC1	ZINC000933993609	681494536	/nfs/dbraw/zinc/49/45/36/681494536.db2.gz	YYDVPWYKJSNQSF-UHFFFAOYSA-N	1	1	355.404	2.116	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@@H]1CCCC(=NNCCC[NH+]2CCOCC2)C1	ZINC000848410473	681536378	/nfs/dbraw/zinc/53/63/78/681536378.db2.gz	LIDPTXJHKXTTTG-OAHLLOKOSA-N	1	1	354.495	2.122	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(OC(F)F)c1	ZINC000934262490	681537285	/nfs/dbraw/zinc/53/72/85/681537285.db2.gz	KFJJEIDXSVKAEN-HZPDHXFCSA-N	1	1	351.397	2.191	20	30		FEEDMO
N#Cc1ccc(Br)c(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1	ZINC000934264932	681538865	/nfs/dbraw/zinc/53/88/65/681538865.db2.gz	JSHIAZMMAJPFAX-IRXDYDNUSA-N	1	1	364.287	2.352	20	30		FEEDMO
N#Cc1cc(Br)ccc1CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO	ZINC000934270371	681540955	/nfs/dbraw/zinc/54/09/55/681540955.db2.gz	UXIZWXSJXLSBAR-DLBZAZTESA-N	1	1	364.287	2.352	20	30		FEEDMO
CN(C)S(=O)(=O)c1ccccc1-c1noc([C@@H]([NH3+])CCCCC#N)n1	ZINC000848624535	681591129	/nfs/dbraw/zinc/59/11/29/681591129.db2.gz	MLAKOPZDNVVFOD-ZDUSSCGKSA-N	1	1	363.443	2.071	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1OC[C@@H]3CCC[C@@H]31)CCO2	ZINC000949141818	681620818	/nfs/dbraw/zinc/62/08/18/681620818.db2.gz	LPOCXZAOVCJMKZ-YESZJQIVSA-N	1	1	368.905	2.247	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1	ZINC000778961478	681667466	/nfs/dbraw/zinc/66/74/66/681667466.db2.gz	SXTZMQLMVCDJQV-AWEZNQCLSA-N	1	1	354.376	2.163	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1	ZINC000778961478	681667472	/nfs/dbraw/zinc/66/74/72/681667472.db2.gz	SXTZMQLMVCDJQV-AWEZNQCLSA-N	1	1	354.376	2.163	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1	ZINC000935430126	681749084	/nfs/dbraw/zinc/74/90/84/681749084.db2.gz	UYRDTWFLJXSMPD-KRWDZBQOSA-N	1	1	362.495	2.086	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1	ZINC000935430126	681749093	/nfs/dbraw/zinc/74/90/93/681749093.db2.gz	UYRDTWFLJXSMPD-KRWDZBQOSA-N	1	1	362.495	2.086	20	30		FEEDMO
COc1cc(C=NNc2cc[nH+]cc2)cc(I)c1O	ZINC000779810679	681755218	/nfs/dbraw/zinc/75/52/18/681755218.db2.gz	HDQAQVPZUMLNSC-UHFFFAOYSA-N	1	1	369.162	2.268	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)Cc2csc(C#N)c2)C1	ZINC000914272401	685501909	/nfs/dbraw/zinc/50/19/09/685501909.db2.gz	AUJIVWUTXKPVOB-AWEZNQCLSA-N	1	1	355.529	2.407	20	30		FEEDMO
CC(C)(C#N)CS(=O)(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12	ZINC000914361186	685505444	/nfs/dbraw/zinc/50/54/44/685505444.db2.gz	INPNVUWDJCBMQZ-KZNAEPCWSA-N	1	1	361.511	2.366	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)NC[C@H]1CCc2[nH+]ccn2C1	ZINC000914404027	685506986	/nfs/dbraw/zinc/50/69/86/685506986.db2.gz	NXNOQSJWTGENCA-OAHLLOKOSA-N	1	1	358.467	2.054	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCOCC1	ZINC000960648941	682056323	/nfs/dbraw/zinc/05/63/23/682056323.db2.gz	VSSMPJNQLHAWGO-OTWHNJEPSA-N	1	1	350.503	2.317	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=C1CCCCc2ccccc21	ZINC000916309800	685523542	/nfs/dbraw/zinc/52/35/42/685523542.db2.gz	IXELLAXIBWYFES-UHFFFAOYSA-N	1	1	360.527	2.304	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C[C@@H]2C1	ZINC000916666495	685526873	/nfs/dbraw/zinc/52/68/73/685526873.db2.gz	OTLXGMSXCHXTNU-OLZOCXBDSA-N	1	1	373.400	2.149	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)C1=O	ZINC000852335557	682262157	/nfs/dbraw/zinc/26/21/57/682262157.db2.gz	JWBFOIWDFJEECE-CQSZACIVSA-N	1	1	353.344	2.290	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+]2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)C1=O	ZINC000852335557	682262161	/nfs/dbraw/zinc/26/21/61/682262161.db2.gz	JWBFOIWDFJEECE-CQSZACIVSA-N	1	1	353.344	2.290	20	30		FEEDMO
C[C@@]1(C#N)CC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1	ZINC000852684152	682320204	/nfs/dbraw/zinc/32/02/04/682320204.db2.gz	BUIAOADSCTYUJZ-SFHVURJKSA-N	1	1	360.483	2.290	20	30		FEEDMO
C[C@@]1(C#N)CC[N@@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1	ZINC000852684152	682320207	/nfs/dbraw/zinc/32/02/07/682320207.db2.gz	BUIAOADSCTYUJZ-SFHVURJKSA-N	1	1	360.483	2.290	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]21	ZINC000972339383	682407562	/nfs/dbraw/zinc/40/75/62/682407562.db2.gz	DQADDDNLUFDVPI-NUEKZKHPSA-N	1	1	367.921	2.309	20	30		FEEDMO
C=CCn1nnn(CN2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1=S	ZINC000853559768	682434121	/nfs/dbraw/zinc/43/41/21/682434121.db2.gz	IPQRPLBLHKIKEM-QGZVFWFLSA-N	1	1	358.515	2.201	20	30		FEEDMO
C=C(COC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C(=O)OCC	ZINC000787228010	682442974	/nfs/dbraw/zinc/44/29/74/682442974.db2.gz	PZPJLFALZMCYBO-UHFFFAOYSA-N	1	1	351.309	2.481	20	30		FEEDMO
C[N@@H+](CCOCC(F)(F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1=O	ZINC000787239096	682444030	/nfs/dbraw/zinc/44/40/30/682444030.db2.gz	HXRZGBIQNMZNHT-MRVPVSSYSA-N	1	1	372.256	2.296	20	30		FEEDMO
C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1	ZINC000853684232	682456092	/nfs/dbraw/zinc/45/60/92/682456092.db2.gz	NRFBQHOENKPLQA-MRXNPFEDSA-N	1	1	351.491	2.093	20	30		FEEDMO
Clc1c(C=NNCCC[NH+]2CCOCC2)cnn1Cc1ccccc1	ZINC000789063673	682576631	/nfs/dbraw/zinc/57/66/31/682576631.db2.gz	VRKGOPXLBJCDHC-UHFFFAOYSA-N	1	1	361.877	2.231	20	30		FEEDMO
C=CC[C@@]1(C(=O)N2CC[NH+](CC)CC2)CCCN1C(=O)OC(C)(C)C	ZINC000790096472	682655977	/nfs/dbraw/zinc/65/59/77/682655977.db2.gz	BMJAFGHZSOEUPT-IBGZPJMESA-N	1	1	351.491	2.496	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)CSCC#N)C2)ccn1	ZINC000856658633	682795399	/nfs/dbraw/zinc/79/53/99/682795399.db2.gz	CWSBINSKOWCNMV-KRWDZBQOSA-N	1	1	362.499	2.158	20	30		FEEDMO
CC1(C)C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@](C)(C(F)(F)F)O1	ZINC000859315472	683081150	/nfs/dbraw/zinc/08/11/50/683081150.db2.gz	DRMRCUJMEVTHTD-UKRRQHHQSA-N	1	1	364.408	2.490	20	30		FEEDMO
CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C[C@](C)(C(F)(F)F)O1	ZINC000859315472	683081153	/nfs/dbraw/zinc/08/11/53/683081153.db2.gz	DRMRCUJMEVTHTD-UKRRQHHQSA-N	1	1	364.408	2.490	20	30		FEEDMO
CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cc(C#N)ccc1Cl)C2	ZINC000926150078	683083168	/nfs/dbraw/zinc/08/31/68/683083168.db2.gz	FMTJDLULNQDWSZ-YWTNHNAXSA-N	1	1	361.873	2.421	20	30		FEEDMO
CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000859328183	683085393	/nfs/dbraw/zinc/08/53/93/683085393.db2.gz	AVNONCCSVHFJQZ-MAUKXSAKSA-N	1	1	352.475	2.111	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@@H+](CCO)Cc2cccnc2Cl)c1	ZINC000796563139	683171866	/nfs/dbraw/zinc/17/18/66/683171866.db2.gz	MSSLECLBDHAJNB-UHFFFAOYSA-N	1	1	358.829	2.430	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+](CCO)Cc2cccnc2Cl)c1	ZINC000796563139	683171869	/nfs/dbraw/zinc/17/18/69/683171869.db2.gz	MSSLECLBDHAJNB-UHFFFAOYSA-N	1	1	358.829	2.430	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+](CCO)Cc1cccnc1Cl	ZINC000796564575	683172055	/nfs/dbraw/zinc/17/20/55/683172055.db2.gz	FUZWOTGWGRLVJD-UHFFFAOYSA-N	1	1	358.829	2.430	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+](CCO)Cc1cccnc1Cl	ZINC000796564575	683172057	/nfs/dbraw/zinc/17/20/57/683172057.db2.gz	FUZWOTGWGRLVJD-UHFFFAOYSA-N	1	1	358.829	2.430	20	30		FEEDMO
COc1cc(OC)c(C(C)=NNCCC[NH+]2CCOCC2)cc1Cl	ZINC000799487935	683459447	/nfs/dbraw/zinc/45/94/47/683459447.db2.gz	IEGYTIZNKDNOJF-UHFFFAOYSA-N	1	1	355.866	2.393	20	30		FEEDMO
Fc1cc(C=NNCCC[NH+]2CCOCC2)ccc1OCC(F)(F)F	ZINC000799486955	683459587	/nfs/dbraw/zinc/45/95/87/683459587.db2.gz	WGUNYTJJUFDPAC-UHFFFAOYSA-N	1	1	363.355	2.413	20	30		FEEDMO
CC(C)(C)OC(=O)NC1CCC(=NNCCC[NH+]2CCOCC2)CC1	ZINC000799488363	683459686	/nfs/dbraw/zinc/45/96/86/683459686.db2.gz	FMGYSKFPIGCIHY-UHFFFAOYSA-N	1	1	354.495	2.122	20	30		FEEDMO
CC(=NNCCC[NH+]1CCOCC1)c1nc2ccccc2n1C(F)F	ZINC000799489078	683460168	/nfs/dbraw/zinc/46/01/68/683460168.db2.gz	OSRPYLAMXYSDPR-UHFFFAOYSA-N	1	1	351.401	2.467	20	30		FEEDMO
O=[N+]([O-])c1cc(Br)ccc1C=NNCCC[NH+]1CCOCC1	ZINC000799492720	683460807	/nfs/dbraw/zinc/46/08/07/683460807.db2.gz	WHUUFXPKABYTLY-UHFFFAOYSA-N	1	1	371.235	2.003	20	30		FEEDMO
C#CC[NH+]1CCC(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC1	ZINC000921438719	683467940	/nfs/dbraw/zinc/46/79/40/683467940.db2.gz	HYAMUHRGMVYHPF-UHFFFAOYSA-N	1	1	360.401	2.222	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-]	ZINC000861837399	683483228	/nfs/dbraw/zinc/48/32/28/683483228.db2.gz	CGGFLAJPYXQCFO-UHFFFAOYSA-N	1	1	354.204	2.042	20	30		FEEDMO
CCN1CCN([C@H](C)C[NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921529737	683493980	/nfs/dbraw/zinc/49/39/80/683493980.db2.gz	OPMGZFBZXVJLFM-CQSZACIVSA-N	1	1	365.319	2.436	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1	ZINC000862552330	683600826	/nfs/dbraw/zinc/60/08/26/683600826.db2.gz	WKKZEGRUHXHMNA-AWEZNQCLSA-N	1	1	370.902	2.113	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](CS(=O)(=O)NC)C1	ZINC000862552330	683600830	/nfs/dbraw/zinc/60/08/30/683600830.db2.gz	WKKZEGRUHXHMNA-AWEZNQCLSA-N	1	1	370.902	2.113	20	30		FEEDMO
N#Cc1ccc(Br)c(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1	ZINC000921984051	683630927	/nfs/dbraw/zinc/63/09/27/683630927.db2.gz	FGPRTJKKCYKYSF-ZDUSSCGKSA-N	1	1	357.273	2.378	20	30		FEEDMO
Fc1ccc(C(F)(F)F)c(Br)c1C=NNC1=[NH+]CCN1	ZINC000863120338	683678162	/nfs/dbraw/zinc/67/81/62/683678162.db2.gz	NSJSYFMWRLSEJP-UHFFFAOYSA-N	1	1	353.117	2.490	20	30		FEEDMO
CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CCC#N)C2	ZINC000922486173	683733221	/nfs/dbraw/zinc/73/32/21/683733221.db2.gz	PWTDKOGPVGDUNM-OAFZBRQQSA-N	1	1	350.507	2.095	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O	ZINC000930548966	683750350	/nfs/dbraw/zinc/75/03/50/683750350.db2.gz	KZGIOASVRVJZHY-DUVNUKRYSA-N	1	1	350.484	2.500	20	30		FEEDMO
COCC#CC[NH+]1CCC(N(C(=O)C(F)(F)F)c2cccnc2)CC1	ZINC000931002763	683816511	/nfs/dbraw/zinc/81/65/11/683816511.db2.gz	JFSVQALWLNRAIN-UHFFFAOYSA-N	1	1	355.360	2.091	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[N@H+](CC)C1	ZINC000864961550	683914741	/nfs/dbraw/zinc/91/47/41/683914741.db2.gz	BQPCBTGMWHFKDK-ZIAGYGMSSA-N	1	1	359.898	2.480	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+]Cc1cc(OC)c(Br)cc1F	ZINC000865523990	683993456	/nfs/dbraw/zinc/99/34/56/683993456.db2.gz	FRFLTUWRJPPSEX-UHFFFAOYSA-N	1	1	366.252	2.287	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1	ZINC000923563179	684306301	/nfs/dbraw/zinc/30/63/01/684306301.db2.gz	JRXKGQNOIXGQFH-LLVKDONJSA-N	1	1	353.325	2.024	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1	ZINC000923563179	684306305	/nfs/dbraw/zinc/30/63/05/684306305.db2.gz	JRXKGQNOIXGQFH-LLVKDONJSA-N	1	1	353.325	2.024	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1C(=O)NCC1(C)C	ZINC000931658035	684321714	/nfs/dbraw/zinc/32/17/14/684321714.db2.gz	IVGGJMGMTUVEFL-WBMJQRKESA-N	1	1	360.483	2.134	20	30		FEEDMO
CN(CCc1cccc(C#N)c1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12	ZINC000925167211	684534271	/nfs/dbraw/zinc/53/42/71/684534271.db2.gz	AYEKMUJXWQGAGI-MSOLQXFVSA-N	1	1	358.511	2.322	20	30		FEEDMO
C=C(C)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1	ZINC000872299702	684935699	/nfs/dbraw/zinc/93/56/99/684935699.db2.gz	PVTIRGMEAWBPNH-KFWWJZLASA-N	1	1	351.447	2.077	20	30		FEEDMO
C[C@@H]1C(N=Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC[N@H+]1C	ZINC000872352756	684939224	/nfs/dbraw/zinc/93/92/24/684939224.db2.gz	FUNANJFPSXHUOY-SNVBAGLBSA-N	1	1	350.348	2.471	20	30		FEEDMO
Cn1c(Cl)ncc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000873876281	685235910	/nfs/dbraw/zinc/23/59/10/685235910.db2.gz	UQHLUQNAIZEEOX-UHFFFAOYSA-N	1	1	357.845	2.293	20	30		FEEDMO
Cn1c(Cl)ncc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000873876281	685235916	/nfs/dbraw/zinc/23/59/16/685235916.db2.gz	UQHLUQNAIZEEOX-UHFFFAOYSA-N	1	1	357.845	2.293	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21)c1cccs1	ZINC000876710154	686249731	/nfs/dbraw/zinc/24/97/31/686249731.db2.gz	FLAHNLONRGIJOU-SJLPKXTDSA-N	1	1	354.479	2.226	20	30		FEEDMO
Cc1nc(C[N@H+](C)CCCc2[nH]nc(N)c2C#N)sc1Br	ZINC000878309403	686562266	/nfs/dbraw/zinc/56/22/66/686562266.db2.gz	NANNIAQZQBGFLK-UHFFFAOYSA-N	1	1	369.292	2.456	20	30		FEEDMO
Cc1nc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)sc1Br	ZINC000878309403	686562271	/nfs/dbraw/zinc/56/22/71/686562271.db2.gz	NANNIAQZQBGFLK-UHFFFAOYSA-N	1	1	369.292	2.456	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+](CC2CC2)[C@H](C(N)=O)C2CC2)cc1Cl	ZINC000879488127	686834149	/nfs/dbraw/zinc/83/41/49/686834149.db2.gz	JYDXHCZGHFMNFP-KRWDZBQOSA-N	1	1	360.845	2.126	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+](CC2CC2)[C@H](C(N)=O)C2CC2)cc1Cl	ZINC000879488127	686834153	/nfs/dbraw/zinc/83/41/53/686834153.db2.gz	JYDXHCZGHFMNFP-KRWDZBQOSA-N	1	1	360.845	2.126	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+]2CC[C@H](c3nc(C)c(C(=O)OCC)s3)C2)C1=O	ZINC000880326081	687036019	/nfs/dbraw/zinc/03/60/19/687036019.db2.gz	ZGSFGIGHTPHSHI-KBPBESRZSA-N	1	1	363.483	2.204	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CC[C@H](c3nc(C)c(C(=O)OCC)s3)C2)C1=O	ZINC000880326081	687036024	/nfs/dbraw/zinc/03/60/24/687036024.db2.gz	ZGSFGIGHTPHSHI-KBPBESRZSA-N	1	1	363.483	2.204	20	30		FEEDMO
CO[C@H]1COCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000880430394	687047631	/nfs/dbraw/zinc/04/76/31/687047631.db2.gz	MFUHJLKQXHUCIA-HOTGVXAUSA-N	1	1	351.834	2.276	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(C#N)c(F)cc1F	ZINC000880713700	687077666	/nfs/dbraw/zinc/07/76/66/687077666.db2.gz	VLPMXMQTJLWHGQ-NSHDSACASA-N	1	1	352.385	2.145	20	30		FEEDMO
CSc1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1C#N	ZINC000884204592	687817564	/nfs/dbraw/zinc/81/75/64/687817564.db2.gz	ZEGLRNRFBUQCIV-AWEZNQCLSA-N	1	1	362.499	2.048	20	30		FEEDMO
CN(C)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)c1ccc(Cl)cc1	ZINC000884231152	687825215	/nfs/dbraw/zinc/82/52/15/687825215.db2.gz	KHULKNWJMQEJPE-HLCARVAJSA-N	1	1	360.889	2.198	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(Br)cn2)C1	ZINC000884311231	687844185	/nfs/dbraw/zinc/84/41/85/687844185.db2.gz	VFCJETRFEAZSPO-JSGCOSHPSA-N	1	1	365.275	2.302	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(Br)cn2)C1	ZINC000884311231	687844188	/nfs/dbraw/zinc/84/41/88/687844188.db2.gz	VFCJETRFEAZSPO-JSGCOSHPSA-N	1	1	365.275	2.302	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000885459636	688078316	/nfs/dbraw/zinc/07/83/16/688078316.db2.gz	MCGKSMZMRJTXBH-SJORKVTESA-N	1	1	351.447	2.086	20	30		FEEDMO
CC[N@@H+](CCC(=O)N(C)CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000886412985	688249069	/nfs/dbraw/zinc/24/90/69/688249069.db2.gz	ZDWJIWWEOCYEIR-OAHLLOKOSA-N	1	1	352.479	2.080	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000887971085	688528275	/nfs/dbraw/zinc/52/82/75/688528275.db2.gz	PPHGVJKVQBYJSF-LJQANCHMSA-N	1	1	355.463	2.215	20	30		FEEDMO
N#Cc1sc(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc1Cl	ZINC000888414170	688607601	/nfs/dbraw/zinc/60/76/01/688607601.db2.gz	OUZYTFYAPBOLPO-QWRGUYRKSA-N	1	1	369.878	2.433	20	30		FEEDMO
C[C@@H]1[C@H](NC(=O)NCc2nc(C#N)cs2)CC[N@H+]1Cc1ccccc1	ZINC000894884960	689614039	/nfs/dbraw/zinc/61/40/39/689614039.db2.gz	MSMNOAVGUAZKAU-CZUORRHYSA-N	1	1	355.467	2.477	20	30		FEEDMO
Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCc3nc(C#N)cs3)C2)cc1	ZINC000896140899	689825770	/nfs/dbraw/zinc/82/57/70/689825770.db2.gz	JISVBRNMPMSMPF-OAHLLOKOSA-N	1	1	355.467	2.397	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1OC	ZINC000897052059	689968071	/nfs/dbraw/zinc/96/80/71/689968071.db2.gz	HBVVEVPNHDBLFF-GFCCVEGCSA-N	1	1	374.890	2.024	20	30		FEEDMO
C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1OC	ZINC000897052059	689968074	/nfs/dbraw/zinc/96/80/74/689968074.db2.gz	HBVVEVPNHDBLFF-GFCCVEGCSA-N	1	1	374.890	2.024	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCc1nc(C#N)cs1	ZINC000897296032	690001597	/nfs/dbraw/zinc/00/15/97/690001597.db2.gz	XHZHHLMKAVOHLT-CQSZACIVSA-N	1	1	355.467	2.431	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1nc(C#N)cs1	ZINC000897296032	690001601	/nfs/dbraw/zinc/00/16/01/690001601.db2.gz	XHZHHLMKAVOHLT-CQSZACIVSA-N	1	1	355.467	2.431	20	30		FEEDMO
CC(=O)CCc1ccc(OC[C@@H](O)C[NH2+]Cc2nc(C#N)cs2)cc1	ZINC000905655293	691157319	/nfs/dbraw/zinc/15/73/19/691157319.db2.gz	KUHCOCWEBDIAMV-INIZCTEOSA-N	1	1	359.451	2.066	20	30		FEEDMO
CN1CC[N@@H+](C)CC(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)C1	ZINC000906602586	691290384	/nfs/dbraw/zinc/29/03/84/691290384.db2.gz	DCPZSGUDUABTKI-AWEZNQCLSA-N	1	1	355.269	2.168	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)nc1	ZINC000906808437	691319756	/nfs/dbraw/zinc/31/97/56/691319756.db2.gz	WGVPGDMNCWSJSC-AWEZNQCLSA-N	1	1	362.480	2.130	20	30		FEEDMO
C#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)cc1	ZINC000906847254	691327839	/nfs/dbraw/zinc/32/78/39/691327839.db2.gz	XJYMHMGBCRWQHZ-UHFFFAOYSA-N	1	1	355.463	2.006	20	30		FEEDMO
Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)S(=O)(=O)CC3(C#N)CC3)C2)s1	ZINC000907344838	691457848	/nfs/dbraw/zinc/45/78/48/691457848.db2.gz	GKHCTWGJOCWXBB-HNNXBMFYSA-N	1	1	367.540	2.444	20	30		FEEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(C3(C#N)CCC3)cn1)CC2	ZINC001164687292	719719026	/nfs/dbraw/zinc/71/90/26/719719026.db2.gz	VTTYFZHCACDVET-UHFFFAOYSA-N	1	1	367.497	2.208	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C#N)cc1C#N)C2	ZINC001164806384	720093485	/nfs/dbraw/zinc/09/34/85/720093485.db2.gz	BTZGDOYKFYYYIG-UYAOXDASSA-N	1	1	351.454	2.010	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1C#N)C2	ZINC001164807465	720104527	/nfs/dbraw/zinc/10/45/27/720104527.db2.gz	CMUIPLQGKILHOY-LPHOPBHVSA-N	1	1	371.441	2.046	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C)cc1C=NO)C2	ZINC001164818804	720150146	/nfs/dbraw/zinc/15/01/46/720150146.db2.gz	UTNFGDJQVOMPGJ-QUCCMNQESA-N	1	1	358.486	2.383	20	30		FEEDMO
Cc1nc(C#N)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164839484	720642387	/nfs/dbraw/zinc/64/23/87/720642387.db2.gz	NKJSQFSSYPLJNZ-QXAKKESOSA-N	1	1	365.485	2.231	20	30		FEEDMO
Cc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(Cl)cc1C#N	ZINC001164743550	720803461	/nfs/dbraw/zinc/80/34/61/720803461.db2.gz	GUAWFLZFJPTIGE-LSDHHAIUSA-N	1	1	370.844	2.047	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(Cl)ncc4C#N)C[C@H]3C2)cn1	ZINC001164771594	721083326	/nfs/dbraw/zinc/08/33/26/721083326.db2.gz	SDUVWHIHUVYMOZ-GOEBONIOSA-N	1	1	356.861	2.298	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(CC#N)cc4Cl)C[C@H]3C2)cn1	ZINC001164774496	721227368	/nfs/dbraw/zinc/22/73/68/721227368.db2.gz	ZYBGWQDHYJPQCH-IAGOWNOFSA-N	1	1	370.888	2.493	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(F)c2C#N)[C@@H]2CCCO[C@@H]12	ZINC001164808774	721562363	/nfs/dbraw/zinc/56/23/63/721562363.db2.gz	VPPSBXORABSBQS-GUDVDZBRSA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(F)c2C#N)[C@@H]2CCCO[C@@H]12	ZINC001164808774	721562367	/nfs/dbraw/zinc/56/23/67/721562367.db2.gz	VPPSBXORABSBQS-GUDVDZBRSA-N	1	1	367.428	2.356	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)cc(Cl)c1C#N	ZINC001164932885	721887259	/nfs/dbraw/zinc/88/72/59/721887259.db2.gz	KEIMEBYVBHIQJO-UONOGXRCSA-N	1	1	354.285	2.475	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc(Cl)cc(Cl)c1C#N	ZINC001164932885	721887261	/nfs/dbraw/zinc/88/72/61/721887261.db2.gz	KEIMEBYVBHIQJO-UONOGXRCSA-N	1	1	354.285	2.475	20	30		FEEDMO
C[C@@H](NC(=O)CNc1ccc(C#N)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000490834397	861941627	/nfs/dbraw/zinc/94/16/27/861941627.db2.gz	MLSRXPMRKGVGKW-APWZRJJASA-N	1	1	363.465	2.392	20	30		FEEDMO
C[C@](C#N)(NC(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1)C1CC1	ZINC000022983190	539704645	/nfs/dbraw/zinc/70/46/45/539704645.db2.gz	KIOVSQXDXVPSTC-HXUWFJFHSA-N	1	1	358.461	2.142	20	30		FEEDMO
CCC(CC)C(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000027611058	539811783	/nfs/dbraw/zinc/81/17/83/539811783.db2.gz	JXTOFWHLYVETFM-UHFFFAOYSA-N	1	1	356.470	2.467	20	30		FEEDMO
C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000031821223	539921105	/nfs/dbraw/zinc/92/11/05/539921105.db2.gz	IHECWWUAOMQLSK-SNVBAGLBSA-N	1	1	360.418	2.208	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[NH+](CCOc2ccccc2)CC1	ZINC000032512208	539942548	/nfs/dbraw/zinc/94/25/48/539942548.db2.gz	DAYDXWYQMGJIIL-GHTZIAJQSA-N	1	1	372.513	2.126	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[N@H+]1CCC[C@@H](C)C1	ZINC000041655009	540029682	/nfs/dbraw/zinc/02/96/82/540029682.db2.gz	HRRRLWPMNGNYJJ-OLZOCXBDSA-N	1	1	362.861	2.387	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc2C1=O	ZINC000044532640	540129624	/nfs/dbraw/zinc/12/96/24/540129624.db2.gz	XCGBNAORUIBNGX-AWEZNQCLSA-N	1	1	355.438	2.073	20	30		FEEDMO
CN(Cc1ccco1)C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000046086854	540241408	/nfs/dbraw/zinc/24/14/08/540241408.db2.gz	JAKMSZKLUSCGNA-UHFFFAOYSA-N	1	1	352.438	2.322	20	30		FEEDMO
CN(Cc1ccco1)C(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000046086854	540241411	/nfs/dbraw/zinc/24/14/11/540241411.db2.gz	JAKMSZKLUSCGNA-UHFFFAOYSA-N	1	1	352.438	2.322	20	30		FEEDMO
C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046530133	540261218	/nfs/dbraw/zinc/26/12/18/540261218.db2.gz	BUWLZLWDFIQWNK-YJBOKZPZSA-N	1	1	365.433	2.335	20	30		FEEDMO
C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000046530133	540261219	/nfs/dbraw/zinc/26/12/19/540261219.db2.gz	BUWLZLWDFIQWNK-YJBOKZPZSA-N	1	1	365.433	2.335	20	30		FEEDMO
COC(=O)c1ccc(CNC(=O)[C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000046529307	540261457	/nfs/dbraw/zinc/26/14/57/540261457.db2.gz	XUUVUCSGJMSVOC-HNNXBMFYSA-N	1	1	365.433	2.482	20	30		FEEDMO
COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1	ZINC000046529307	540261461	/nfs/dbraw/zinc/26/14/61/540261461.db2.gz	XUUVUCSGJMSVOC-HNNXBMFYSA-N	1	1	365.433	2.482	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1	ZINC000050092423	540398901	/nfs/dbraw/zinc/39/89/01/540398901.db2.gz	SKUKYJQTOMKESD-INIZCTEOSA-N	1	1	360.458	2.435	20	30		FEEDMO
CN(CC(F)(F)F)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000052409073	540464834	/nfs/dbraw/zinc/46/48/34/540464834.db2.gz	KDGKKAFEXULZJE-UHFFFAOYSA-N	1	1	368.403	2.087	20	30		FEEDMO
N#Cc1ccc(NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)nc1	ZINC000052486250	540468072	/nfs/dbraw/zinc/46/80/72/540468072.db2.gz	DVKTUFCBHYZADX-UHFFFAOYSA-N	1	1	365.437	2.226	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1cccc(C#N)c1	ZINC000052580660	540474578	/nfs/dbraw/zinc/47/45/78/540474578.db2.gz	SUEYRWVLCUMLQH-UHFFFAOYSA-N	1	1	368.506	2.396	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1cccc(C#N)c1	ZINC000052580660	540474583	/nfs/dbraw/zinc/47/45/83/540474583.db2.gz	SUEYRWVLCUMLQH-UHFFFAOYSA-N	1	1	368.506	2.396	20	30		FEEDMO
Cc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000053420070	540533633	/nfs/dbraw/zinc/53/36/33/540533633.db2.gz	OVANABAQJHKKEK-OAQYLSRUSA-N	1	1	365.477	2.424	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000055014586	540621471	/nfs/dbraw/zinc/62/14/71/540621471.db2.gz	OHPASBNRRPYVHJ-OAHLLOKOSA-N	1	1	374.510	2.428	20	30		FEEDMO
C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1=O	ZINC000055119249	540630282	/nfs/dbraw/zinc/63/02/82/540630282.db2.gz	KRHXOVRIQALGRY-LJQANCHMSA-N	1	1	365.408	2.499	20	30		FEEDMO
C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1=O	ZINC000055119249	540630285	/nfs/dbraw/zinc/63/02/85/540630285.db2.gz	KRHXOVRIQALGRY-LJQANCHMSA-N	1	1	365.408	2.499	20	30		FEEDMO
CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)[C@H](C)c1ccc(C#N)cc1	ZINC000060477400	541113840	/nfs/dbraw/zinc/11/38/40/541113840.db2.gz	CCYDRQTYYPTABD-LLVKDONJSA-N	1	1	356.348	2.329	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(NC(=O)CNc3ccc(C#N)cc3)cc2)CC1	ZINC000064724426	541215440	/nfs/dbraw/zinc/21/54/40/541215440.db2.gz	BTHFGFRIHPEFCC-UHFFFAOYSA-N	1	1	363.465	2.356	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1	ZINC000065965473	541274966	/nfs/dbraw/zinc/27/49/66/541274966.db2.gz	PBSIZYIELFRIOV-IRXDYDNUSA-N	1	1	362.518	2.155	20	30		FEEDMO
C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437756	541318154	/nfs/dbraw/zinc/31/81/54/541318154.db2.gz	LIJIBFIDJZJUCY-FGTMMUONSA-N	1	1	369.513	2.358	20	30		FEEDMO
C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437756	541318160	/nfs/dbraw/zinc/31/81/60/541318160.db2.gz	LIJIBFIDJZJUCY-FGTMMUONSA-N	1	1	369.513	2.358	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437462	541318228	/nfs/dbraw/zinc/31/82/28/541318228.db2.gz	XCJMRAUJZMDQFC-QGZVFWFLSA-N	1	1	355.486	2.278	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437462	541318232	/nfs/dbraw/zinc/31/82/32/541318232.db2.gz	XCJMRAUJZMDQFC-QGZVFWFLSA-N	1	1	355.486	2.278	20	30		FEEDMO
C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437549	541318467	/nfs/dbraw/zinc/31/84/67/541318467.db2.gz	FWMOKWUUPQHYNR-KRWDZBQOSA-N	1	1	355.486	2.256	20	30		FEEDMO
C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437549	541318470	/nfs/dbraw/zinc/31/84/70/541318470.db2.gz	FWMOKWUUPQHYNR-KRWDZBQOSA-N	1	1	355.486	2.256	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(C)=O)C1	ZINC000067413655	541459574	/nfs/dbraw/zinc/45/95/74/541459574.db2.gz	HRUNGIOVUMUSOA-DOTOQJQBSA-N	1	1	363.527	2.499	20	30		FEEDMO
Cc1cc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)no1	ZINC000067607844	541489336	/nfs/dbraw/zinc/48/93/36/541489336.db2.gz	RWKYGJBYEYDUBB-UHFFFAOYSA-N	1	1	353.426	2.272	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cn4ccccc4n3)CC2)cc1	ZINC000068745005	541624407	/nfs/dbraw/zinc/62/44/07/541624407.db2.gz	BUBLRSXFCVRTAX-UHFFFAOYSA-N	1	1	373.460	2.483	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000069121857	541659576	/nfs/dbraw/zinc/65/95/76/541659576.db2.gz	FHZUJVGVRJPJLS-GOSISDBHSA-N	1	1	362.433	2.196	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1	ZINC000072631228	541841509	/nfs/dbraw/zinc/84/15/09/541841509.db2.gz	XZUWJRHUOJWNQD-LJQANCHMSA-N	1	1	356.470	2.074	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1	ZINC000072830582	541874452	/nfs/dbraw/zinc/87/44/52/541874452.db2.gz	WFODODUPECWEKQ-KZULUSFZSA-N	1	1	360.845	2.141	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1	ZINC000072830582	541874455	/nfs/dbraw/zinc/87/44/55/541874455.db2.gz	WFODODUPECWEKQ-KZULUSFZSA-N	1	1	360.845	2.141	20	30		FEEDMO
N#Cc1c(Cl)cccc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000072990210	541905318	/nfs/dbraw/zinc/90/53/18/541905318.db2.gz	UPGRSIZVLXMFIG-UHFFFAOYSA-N	1	1	353.875	2.461	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1	ZINC000073306655	541941979	/nfs/dbraw/zinc/94/19/79/541941979.db2.gz	DABOSYQIGUUQFW-AWEZNQCLSA-N	1	1	366.421	2.464	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000073615838	541973887	/nfs/dbraw/zinc/97/38/87/541973887.db2.gz	KCNMTOIAGBFAIT-QAPCUYQASA-N	1	1	357.454	2.180	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000073615838	541973890	/nfs/dbraw/zinc/97/38/90/541973890.db2.gz	KCNMTOIAGBFAIT-QAPCUYQASA-N	1	1	357.454	2.180	20	30		FEEDMO
COc1ccc(C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N)cc1OC(F)F	ZINC000073618008	541975207	/nfs/dbraw/zinc/97/52/07/541975207.db2.gz	UZPBPEAGZHRBSZ-GFCCVEGCSA-N	1	1	355.385	2.489	20	30		FEEDMO
COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N)cc1OC(F)F	ZINC000073618008	541975211	/nfs/dbraw/zinc/97/52/11/541975211.db2.gz	UZPBPEAGZHRBSZ-GFCCVEGCSA-N	1	1	355.385	2.489	20	30		FEEDMO
N#Cc1ccc(OCC[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)cc1	ZINC000076199215	542242844	/nfs/dbraw/zinc/24/28/44/542242844.db2.gz	HORIDAPUEFUGCL-UHFFFAOYSA-N	1	1	350.422	2.180	20	30		FEEDMO
C=CCCC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000076736343	542319523	/nfs/dbraw/zinc/31/95/23/542319523.db2.gz	XHEYWCWPGVAPPA-SFHVURJKSA-N	1	1	359.514	2.422	20	30		FEEDMO
CCO[C@@H](C)c1nc(CN2CC[NH+](CCO[C@H](C)C#N)CC2)cs1	ZINC000801923294	674155456	/nfs/dbraw/zinc/15/54/56/674155456.db2.gz	DHQPMEMXRXOTOY-CABCVRRESA-N	1	1	352.504	2.287	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2	ZINC000802010689	674158449	/nfs/dbraw/zinc/15/84/49/674158449.db2.gz	HCORGUSACUOARM-DNVCBOLYSA-N	1	1	351.491	2.400	20	30		FEEDMO
C[N@@H+](CCCSCC#N)CC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000080722025	542603934	/nfs/dbraw/zinc/60/39/34/542603934.db2.gz	QKCIPNIHZVGCQW-UHFFFAOYSA-N	1	1	362.499	2.040	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)c(F)c1	ZINC000080621871	542598185	/nfs/dbraw/zinc/59/81/85/542598185.db2.gz	UKCXJGMYWXOETL-IRXDYDNUSA-N	1	1	356.445	2.220	20	30		FEEDMO
CN(C)c1[nH+]cc(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)n1C	ZINC000083737849	542703421	/nfs/dbraw/zinc/70/34/21/542703421.db2.gz	NGTVHMVNZDMVBY-MSOLQXFVSA-N	1	1	366.469	2.467	20	30		FEEDMO
COc1ccccc1NC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000084881064	542722243	/nfs/dbraw/zinc/72/22/43/542722243.db2.gz	TYOVWUVVOXDFKS-FQEVSTJZSA-N	1	1	356.470	2.380	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCCc3ccccc3C2)CC1	ZINC000091558900	542812657	/nfs/dbraw/zinc/81/26/57/542812657.db2.gz	GJIFJYXRKUXMFM-FQEVSTJZSA-N	1	1	354.498	2.127	20	30		FEEDMO
COc1cccc([C@@H](C)[NH+]2CCN(CCC(=O)N(C)CCC#N)CC2)c1	ZINC000092796132	542887411	/nfs/dbraw/zinc/88/74/11/542887411.db2.gz	RISGTPPQNHRDCK-QGZVFWFLSA-N	1	1	358.486	2.136	20	30		FEEDMO
CC(C)[N@H+](C)CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000102063472	543058332	/nfs/dbraw/zinc/05/83/32/543058332.db2.gz	JHADFMUZBBAQHT-UHFFFAOYSA-N	1	1	357.502	2.116	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000102063472	543058333	/nfs/dbraw/zinc/05/83/33/543058333.db2.gz	JHADFMUZBBAQHT-UHFFFAOYSA-N	1	1	357.502	2.116	20	30		FEEDMO
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000104074972	543121893	/nfs/dbraw/zinc/12/18/93/543121893.db2.gz	UPLRABOLOGAYLU-RYUDHWBXSA-N	1	1	360.483	2.023	20	30		FEEDMO
COc1ccc([C@H](CNS(=O)(=O)CCCC#N)[NH+]2CCCCC2)cc1	ZINC000104106885	543123653	/nfs/dbraw/zinc/12/36/53/543123653.db2.gz	CFNOAYVWWZHUNP-SFHVURJKSA-N	1	1	365.499	2.445	20	30		FEEDMO
CNC(=O)[C@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000104671798	543136628	/nfs/dbraw/zinc/13/66/28/543136628.db2.gz	ZRMPNYUKHTULJE-OAHLLOKOSA-N	1	1	374.510	2.428	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000106038357	543186413	/nfs/dbraw/zinc/18/64/13/543186413.db2.gz	HLQKVVQAFATMFV-UHFFFAOYSA-N	1	1	370.902	2.270	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(C)(=O)=O)ccc2C)CC1	ZINC000106040245	543186994	/nfs/dbraw/zinc/18/69/94/543186994.db2.gz	JJQWXBYBSLNLGT-UHFFFAOYSA-N	1	1	350.484	2.169	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cn3cncn3)C2)c(C#N)c1C	ZINC000106173340	543212925	/nfs/dbraw/zinc/21/29/25/543212925.db2.gz	HUZCNWMBOWIVHV-ZFWWWQNUSA-N	1	1	356.430	2.099	20	30		FEEDMO
Cc1oc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cn3cncn3)C2)c(C#N)c1C	ZINC000106173340	543212927	/nfs/dbraw/zinc/21/29/27/543212927.db2.gz	HUZCNWMBOWIVHV-ZFWWWQNUSA-N	1	1	356.430	2.099	20	30		FEEDMO
C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000106863801	543250546	/nfs/dbraw/zinc/25/05/46/543250546.db2.gz	JSQAAWPYZMOLIR-WMLDXEAASA-N	1	1	368.399	2.408	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(CCCOc2ccc(C#N)cc2)CC1	ZINC000109755996	543337641	/nfs/dbraw/zinc/33/76/41/543337641.db2.gz	YXEHQOVWUNBNEI-HXUWFJFHSA-N	1	1	356.514	2.429	20	30		FEEDMO
C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000109815610	543340743	/nfs/dbraw/zinc/34/07/43/543340743.db2.gz	HIRBGAJLKXQZPK-AZUAARDMSA-N	1	1	365.433	2.035	20	30		FEEDMO
C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O	ZINC000109815610	543340746	/nfs/dbraw/zinc/34/07/46/543340746.db2.gz	HIRBGAJLKXQZPK-AZUAARDMSA-N	1	1	365.433	2.035	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cc2ccc(OCC#N)cc2)C[C@H](C)O1	ZINC000110188975	543351045	/nfs/dbraw/zinc/35/10/45/543351045.db2.gz	DBSIHJLSARNFRC-IYBDPMFKSA-N	1	1	359.470	2.135	20	30		FEEDMO
CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1	ZINC000110274316	543354375	/nfs/dbraw/zinc/35/43/75/543354375.db2.gz	HYAQCIGLJGOVLZ-QGZVFWFLSA-N	1	1	362.518	2.300	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1OC	ZINC000114855720	543540950	/nfs/dbraw/zinc/54/09/50/543540950.db2.gz	JNHPHKMHNBFNKN-QKYXPGDISA-N	1	1	372.465	2.253	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1OC	ZINC000114855720	543540952	/nfs/dbraw/zinc/54/09/52/543540952.db2.gz	JNHPHKMHNBFNKN-QKYXPGDISA-N	1	1	372.465	2.253	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@H](C)C1	ZINC000115702182	543581904	/nfs/dbraw/zinc/58/19/04/543581904.db2.gz	PJDHTXYVLAUOQL-APWZRJJASA-N	1	1	358.486	2.494	20	30		FEEDMO
C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1	ZINC000121253158	543691382	/nfs/dbraw/zinc/69/13/82/543691382.db2.gz	GKBVLMJWBRVWRL-HNNXBMFYSA-N	1	1	367.515	2.470	20	30		FEEDMO
C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1	ZINC000121253158	543691384	/nfs/dbraw/zinc/69/13/84/543691384.db2.gz	GKBVLMJWBRVWRL-HNNXBMFYSA-N	1	1	367.515	2.470	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1	ZINC000119715657	543671139	/nfs/dbraw/zinc/67/11/39/543671139.db2.gz	OGNBQLOLHXHUDD-QAPCUYQASA-N	1	1	359.470	2.379	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(N2CCCCC2=O)CC1	ZINC000120164028	543676149	/nfs/dbraw/zinc/67/61/49/543676149.db2.gz	HPQNZEWNVOKOCT-INIZCTEOSA-N	1	1	360.502	2.194	20	30		FEEDMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)N[C@@H](C)CC#N)c1	ZINC000122888129	543729901	/nfs/dbraw/zinc/72/99/01/543729901.db2.gz	AIXGNCCXMAYXMU-AWEZNQCLSA-N	1	1	353.426	2.412	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000124009776	543796178	/nfs/dbraw/zinc/79/61/78/543796178.db2.gz	VJHCNVURKLUWMS-IAGOWNOFSA-N	1	1	362.518	2.346	20	30		FEEDMO
CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000124009938	543796238	/nfs/dbraw/zinc/79/62/38/543796238.db2.gz	VJHCNVURKLUWMS-SJORKVTESA-N	1	1	362.518	2.346	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1	ZINC000124964817	543854214	/nfs/dbraw/zinc/85/42/14/543854214.db2.gz	FPEDPBQUMBTCTC-ZBFHGGJFSA-N	1	1	372.494	2.231	20	30		FEEDMO
N#CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1	ZINC000124964817	543854216	/nfs/dbraw/zinc/85/42/16/543854216.db2.gz	FPEDPBQUMBTCTC-ZBFHGGJFSA-N	1	1	372.494	2.231	20	30		FEEDMO
C=C(C)CNC(=O)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1	ZINC000126639834	543947959	/nfs/dbraw/zinc/94/79/59/543947959.db2.gz	GSRVSIGGCISQRC-UHFFFAOYSA-N	1	1	372.469	2.050	20	30		FEEDMO
Cc1ccc(CN2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1	ZINC000127332498	543986369	/nfs/dbraw/zinc/98/63/69/543986369.db2.gz	DWAPHVNLZBAUKI-UHFFFAOYSA-N	1	1	371.462	2.500	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N(CCC#N)CCC(C)C)cn1	ZINC000133291775	544263859	/nfs/dbraw/zinc/26/38/59/544263859.db2.gz	XKYPQONWSOYBQS-UHFFFAOYSA-N	1	1	368.441	2.303	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1	ZINC000134791810	544321441	/nfs/dbraw/zinc/32/14/41/544321441.db2.gz	QEPMONXCCHGHOW-OALUTQOASA-N	1	1	372.444	2.370	20	30		FEEDMO
CC[N@@H+]1CCc2nc(NC(=O)C#Cc3ccc4c(c3)OCO4)sc2C1	ZINC000136120845	544367032	/nfs/dbraw/zinc/36/70/32/544367032.db2.gz	RJHOLZITCMSOOK-UHFFFAOYSA-N	1	1	355.419	2.240	20	30		FEEDMO
CC[N@H+]1CCc2nc(NC(=O)C#Cc3ccc4c(c3)OCO4)sc2C1	ZINC000136120845	544367034	/nfs/dbraw/zinc/36/70/34/544367034.db2.gz	RJHOLZITCMSOOK-UHFFFAOYSA-N	1	1	355.419	2.240	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)nc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000151447227	544543123	/nfs/dbraw/zinc/54/31/23/544543123.db2.gz	CTKHTNXLOWVAJL-VQTJNVASSA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@H](NC(=O)c1ccc(C#N)nc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000151447227	544543126	/nfs/dbraw/zinc/54/31/26/544543126.db2.gz	CTKHTNXLOWVAJL-VQTJNVASSA-N	1	1	364.449	2.363	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C[N@H+]1C1CC1	ZINC000151866841	544590451	/nfs/dbraw/zinc/59/04/51/544590451.db2.gz	WSKNANWDTFBUAX-KGLIPLIRSA-N	1	1	372.494	2.372	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2ccncc2)CC1	ZINC000153241032	544750905	/nfs/dbraw/zinc/75/09/05/544750905.db2.gz	IVDMLSMIIKVLEE-NRFANRHFSA-N	1	1	367.493	2.368	20	30		FEEDMO
CCOc1cc(C#N)cc(Cl)c1OC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000153565609	544791947	/nfs/dbraw/zinc/79/19/47/544791947.db2.gz	BSDMIVDGJSSUEN-VNHYZAJKSA-N	1	1	368.861	2.459	20	30		FEEDMO
CCOc1cc(C#N)cc(Cl)c1OC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000153565609	544791949	/nfs/dbraw/zinc/79/19/49/544791949.db2.gz	BSDMIVDGJSSUEN-VNHYZAJKSA-N	1	1	368.861	2.459	20	30		FEEDMO
CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC[S@](=O)C(C)(C)C)CC1=O	ZINC000154001826	544850651	/nfs/dbraw/zinc/85/06/51/544850651.db2.gz	GGHGQSLFUWGACV-AREMUKBSSA-N	1	1	374.510	2.193	20	30		FEEDMO
N#Cc1ccc(CN2CCC[N@H+](CCCNC(=O)C(F)(F)F)CC2)cc1	ZINC000154241466	544880220	/nfs/dbraw/zinc/88/02/20/544880220.db2.gz	BRDNAIVPUKYWSO-UHFFFAOYSA-N	1	1	368.403	2.135	20	30		FEEDMO
CNC(=O)CCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1	ZINC000154852956	544957220	/nfs/dbraw/zinc/95/72/20/544957220.db2.gz	XDSDXYKJEBPFLD-KRWDZBQOSA-N	1	1	358.486	2.397	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cccc(F)c3C#N)cc2)CC1	ZINC000187077724	328001036	/nfs/dbraw/zinc/00/10/36/328001036.db2.gz	HXOQKHRXGMZDBY-UHFFFAOYSA-N	1	1	366.396	2.337	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sccc1C#N	ZINC000188150932	328069544	/nfs/dbraw/zinc/06/95/44/328069544.db2.gz	LOGQVZIGYSUAOH-LJQANCHMSA-N	1	1	355.463	2.329	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NCC[N@@H+]3CCCC[C@H]3C)CC2)o1	ZINC000189107745	328129031	/nfs/dbraw/zinc/12/90/31/328129031.db2.gz	SDNCPOCDUIGPDV-CQSZACIVSA-N	1	1	359.474	2.062	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)C[N@H+]3CCC[C@H](C)C3)CC2)o1	ZINC000189219741	328135574	/nfs/dbraw/zinc/13/55/74/328135574.db2.gz	PHMBWMQRTNROTR-GJZGRUSLSA-N	1	1	373.501	2.308	20	30		FEEDMO
CC(C)C[C@@]1(CO)CCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000191667853	328276470	/nfs/dbraw/zinc/27/64/70/328276470.db2.gz	QOXZOPLQNBILIT-GOSISDBHSA-N	1	1	350.484	2.205	20	30		FEEDMO
N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1	ZINC000191794917	328282249	/nfs/dbraw/zinc/28/22/49/328282249.db2.gz	SRAVVGHJQYQLCC-HNNXBMFYSA-N	1	1	364.287	2.475	20	30		FEEDMO
N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1	ZINC000191794917	328282250	/nfs/dbraw/zinc/28/22/50/328282250.db2.gz	SRAVVGHJQYQLCC-HNNXBMFYSA-N	1	1	364.287	2.475	20	30		FEEDMO
CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3ccc(C#N)c(F)c3)CC2)n1	ZINC000192061073	328297736	/nfs/dbraw/zinc/29/77/36/328297736.db2.gz	RBKIDRDFSWERQK-CQSZACIVSA-N	1	1	373.432	2.496	20	30		FEEDMO
CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)n1	ZINC000192061073	328297737	/nfs/dbraw/zinc/29/77/37/328297737.db2.gz	RBKIDRDFSWERQK-CQSZACIVSA-N	1	1	373.432	2.496	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1	ZINC000192449839	328319420	/nfs/dbraw/zinc/31/94/20/328319420.db2.gz	GHBBONVQCFERFK-OKILXGFUSA-N	1	1	364.877	2.191	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)O1	ZINC000192449839	328319421	/nfs/dbraw/zinc/31/94/21/328319421.db2.gz	GHBBONVQCFERFK-OKILXGFUSA-N	1	1	364.877	2.191	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccnc(C#N)c3)cc2)C[C@H](C)O1	ZINC000192651405	328330948	/nfs/dbraw/zinc/33/09/48/328330948.db2.gz	ODRKMROSIRIERN-IYBDPMFKSA-N	1	1	364.449	2.492	20	30		FEEDMO
C[C@@]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)(C(N)=O)c1ccccc1	ZINC000192651450	328331110	/nfs/dbraw/zinc/33/11/10/328331110.db2.gz	MSIXJCSRBQOVLE-NQIIRXRSSA-N	1	1	362.433	2.044	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)C1	ZINC000193055175	328354557	/nfs/dbraw/zinc/35/45/57/328354557.db2.gz	OAGSVUHNYYFJHX-HNNXBMFYSA-N	1	1	373.501	2.244	20	30		FEEDMO
CC[C@H](NC(=O)c1ccnc(C#N)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000193543936	328380757	/nfs/dbraw/zinc/38/07/57/328380757.db2.gz	PFOZVVXNPDJLLZ-VQTJNVASSA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@H](NC(=O)c1ccnc(C#N)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000193543936	328380758	/nfs/dbraw/zinc/38/07/58/328380758.db2.gz	PFOZVVXNPDJLLZ-VQTJNVASSA-N	1	1	364.449	2.363	20	30		FEEDMO
CCOC[C@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000081520318	325180324	/nfs/dbraw/zinc/18/03/24/325180324.db2.gz	RMBXUKIFHOSMGS-HNNXBMFYSA-N	1	1	353.426	2.041	20	30		FEEDMO
CCOC[C@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000081520318	325180326	/nfs/dbraw/zinc/18/03/26/325180326.db2.gz	RMBXUKIFHOSMGS-HNNXBMFYSA-N	1	1	353.426	2.041	20	30		FEEDMO
CCOC[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000081520317	325180984	/nfs/dbraw/zinc/18/09/84/325180984.db2.gz	RMBXUKIFHOSMGS-OAHLLOKOSA-N	1	1	353.426	2.041	20	30		FEEDMO
CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000081520317	325180987	/nfs/dbraw/zinc/18/09/87/325180987.db2.gz	RMBXUKIFHOSMGS-OAHLLOKOSA-N	1	1	353.426	2.041	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cc(C#N)cn3C)cc2)C[C@H](C)O1	ZINC000081664294	325192246	/nfs/dbraw/zinc/19/22/46/325192246.db2.gz	XFCNIBGGBBZERT-IYBDPMFKSA-N	1	1	366.465	2.436	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)[N@@H+](C)C1CC1	ZINC000083537862	325218957	/nfs/dbraw/zinc/21/89/57/325218957.db2.gz	RQEIVSJHVBKSLL-JTQLQIEISA-N	1	1	361.389	2.338	20	30		FEEDMO
C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089942673	325343634	/nfs/dbraw/zinc/34/36/34/325343634.db2.gz	CTHJGJOICSDAJI-ZDUSSCGKSA-N	1	1	372.448	2.087	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1	ZINC000090463498	325359978	/nfs/dbraw/zinc/35/99/78/325359978.db2.gz	RNHWOROMNFEXEW-UYAOXDASSA-N	1	1	371.481	2.477	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1	ZINC000090463498	325359980	/nfs/dbraw/zinc/35/99/80/325359980.db2.gz	RNHWOROMNFEXEW-UYAOXDASSA-N	1	1	371.481	2.477	20	30		FEEDMO
CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1	ZINC000118108645	326082321	/nfs/dbraw/zinc/08/23/21/326082321.db2.gz	KEAQFPHXRNBDDG-UHFFFAOYSA-N	1	1	366.421	2.357	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)[C@@H](C)CO)c1C#N	ZINC000118959114	326112987	/nfs/dbraw/zinc/11/29/87/326112987.db2.gz	NBSNVROQOKCGNV-AWEZNQCLSA-N	1	1	354.454	2.276	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)[C@@H](C)CO)c1C#N	ZINC000118959114	326112989	/nfs/dbraw/zinc/11/29/89/326112989.db2.gz	NBSNVROQOKCGNV-AWEZNQCLSA-N	1	1	354.454	2.276	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000121370627	326333114	/nfs/dbraw/zinc/33/31/14/326333114.db2.gz	HLNHYJMUFAYEGD-ZDUSSCGKSA-N	1	1	359.451	2.407	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1	ZINC000121370627	326333115	/nfs/dbraw/zinc/33/31/15/326333115.db2.gz	HLNHYJMUFAYEGD-ZDUSSCGKSA-N	1	1	359.451	2.407	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000162197926	327019662	/nfs/dbraw/zinc/01/96/62/327019662.db2.gz	GTLOQSWFVWZSDY-ZDUSSCGKSA-N	1	1	372.288	2.083	20	30		FEEDMO
N#Cc1cccc(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)c1	ZINC000172570397	327208979	/nfs/dbraw/zinc/20/89/79/327208979.db2.gz	KSQSSCURJQHIKO-UHFFFAOYSA-N	1	1	366.440	2.245	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC(CN3CCCCC3=O)CC2)cc1	ZINC000173444810	327257480	/nfs/dbraw/zinc/25/74/80/327257480.db2.gz	AZMWRZCSFUDRRK-UHFFFAOYSA-N	1	1	354.454	2.221	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1C#N	ZINC000174856492	327355290	/nfs/dbraw/zinc/35/52/90/327355290.db2.gz	KMQWPUZFBKSXMO-INIZCTEOSA-N	1	1	364.449	2.442	20	30		FEEDMO
N#Cc1c[nH]c(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1	ZINC000178594084	327594330	/nfs/dbraw/zinc/59/43/30/327594330.db2.gz	DEICOQPHOLWSNZ-UHFFFAOYSA-N	1	1	357.845	2.092	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(C(F)(F)F)c1	ZINC000266170512	329197027	/nfs/dbraw/zinc/19/70/27/329197027.db2.gz	JDNBPNDCZSNNOO-ZDUSSCGKSA-N	1	1	371.384	2.212	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)NCCSCc1ccccc1C#N	ZINC000266453359	329224552	/nfs/dbraw/zinc/22/45/52/329224552.db2.gz	CRCABDCJRLUIAH-UHFFFAOYSA-N	1	1	364.515	2.059	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1C#N	ZINC000266584031	329238732	/nfs/dbraw/zinc/23/87/32/329238732.db2.gz	SHYLVKBIIMRPFP-INIZCTEOSA-N	1	1	356.451	2.286	20	30		FEEDMO
CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000271481066	329696849	/nfs/dbraw/zinc/69/68/49/329696849.db2.gz	ANHZAZQMORHYSG-CQSZACIVSA-N	1	1	370.375	2.497	20	30		FEEDMO
CN(C(=O)C(=O)Nc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000275626814	330071954	/nfs/dbraw/zinc/07/19/54/330071954.db2.gz	IUJJQFFWAYSKCN-LJQANCHMSA-N	1	1	362.433	2.230	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000275888816	330100253	/nfs/dbraw/zinc/10/02/53/330100253.db2.gz	FJQHPLKPGPCPDH-CZUORRHYSA-N	1	1	360.845	2.093	20	30		FEEDMO
COCC[N@H+]1CCCN(c2c(C#N)cnc3c(OC)cc(OC)cc32)CC1	ZINC000286419261	330183369	/nfs/dbraw/zinc/18/33/69/330183369.db2.gz	PCJVSGZNCDGKNN-UHFFFAOYSA-N	1	1	370.453	2.282	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1	ZINC000367027897	330208859	/nfs/dbraw/zinc/20/88/59/330208859.db2.gz	HLNQKGGPVYJBHT-XJKSGUPXSA-N	1	1	360.845	2.141	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1	ZINC000367027897	330208861	/nfs/dbraw/zinc/20/88/61/330208861.db2.gz	HLNQKGGPVYJBHT-XJKSGUPXSA-N	1	1	360.845	2.141	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCC(=O)Nc1ccccc1F	ZINC000155498895	545534273	/nfs/dbraw/zinc/53/42/73/545534273.db2.gz	SXMHAJDEDCRKCW-CQSZACIVSA-N	1	1	368.416	2.027	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCC(=O)Nc1ccccc1F	ZINC000155498895	545534274	/nfs/dbraw/zinc/53/42/74/545534274.db2.gz	SXMHAJDEDCRKCW-CQSZACIVSA-N	1	1	368.416	2.027	20	30		FEEDMO
CO[C@H]1CCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000155606139	545548187	/nfs/dbraw/zinc/54/81/87/545548187.db2.gz	LRTMXHJYNPWGBT-OALUTQOASA-N	1	1	356.470	2.343	20	30		FEEDMO
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)C[C@@H](C)O)cc1	ZINC000156343508	545619026	/nfs/dbraw/zinc/61/90/26/545619026.db2.gz	VECLODAOCZLEBS-CYBMUJFWSA-N	1	1	370.453	2.226	20	30		FEEDMO
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)C[C@@H](C)O)cc1	ZINC000156343508	545619029	/nfs/dbraw/zinc/61/90/29/545619029.db2.gz	VECLODAOCZLEBS-CYBMUJFWSA-N	1	1	370.453	2.226	20	30		FEEDMO
CCOCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000157674293	545767743	/nfs/dbraw/zinc/76/77/43/545767743.db2.gz	AXNZMKYGXYDRTL-NRGCRIOASA-N	1	1	365.518	2.433	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(F)cc2C#N)cn1	ZINC000157725666	545775635	/nfs/dbraw/zinc/77/56/35/545775635.db2.gz	IWVMEHYUKYNZSK-UHFFFAOYSA-N	1	1	371.397	2.065	20	30		FEEDMO
Cc1ccc(N2CCC(NC(=O)COc3ccccc3C#N)CC2)[nH+]c1	ZINC000157806616	545786316	/nfs/dbraw/zinc/78/63/16/545786316.db2.gz	BHXYIJBMJWJKDX-UHFFFAOYSA-N	1	1	350.422	2.426	20	30		FEEDMO
CCCc1[nH+]ccn1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000158021438	545812814	/nfs/dbraw/zinc/81/28/14/545812814.db2.gz	MBHGCEAOFPRMCG-SFHVURJKSA-N	1	1	369.444	2.384	20	30		FEEDMO
N#Cc1ccsc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000158637296	545879757	/nfs/dbraw/zinc/87/97/57/545879757.db2.gz	BXOGMUVTVOPQSA-DLBZAZTESA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1ccsc1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000158637296	545879761	/nfs/dbraw/zinc/87/97/61/545879761.db2.gz	BXOGMUVTVOPQSA-DLBZAZTESA-N	1	1	355.463	2.233	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)CC1CCN(c2ccccn2)CC1	ZINC000160043855	546003321	/nfs/dbraw/zinc/00/33/21/546003321.db2.gz	PZAJYZPLBYNNDX-INIZCTEOSA-N	1	1	373.501	2.020	20	30		FEEDMO
Cc1cccc(C[NH+]2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)c1	ZINC000173370959	546280278	/nfs/dbraw/zinc/28/02/78/546280278.db2.gz	ZRWZYOLBZXFQQY-UHFFFAOYSA-N	1	1	352.442	2.455	20	30		FEEDMO
N#CCSCCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1	ZINC000174137362	546292447	/nfs/dbraw/zinc/29/24/47/546292447.db2.gz	RYEDZRDHHPPLDO-OAHLLOKOSA-N	1	1	371.503	2.215	20	30		FEEDMO
Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CCCC(C)(C)C#N)CC1	ZINC000174813322	546303898	/nfs/dbraw/zinc/30/38/98/546303898.db2.gz	AKTGHCCZAJTDQX-UHFFFAOYSA-N	1	1	368.503	2.318	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1	ZINC000175264031	546308071	/nfs/dbraw/zinc/30/80/71/546308071.db2.gz	UZTOEAOCNBITIJ-KRWDZBQOSA-N	1	1	356.470	2.138	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)NCC[N@@H+](C)Cc1ccc(F)cc1	ZINC000176915287	546507060	/nfs/dbraw/zinc/50/70/60/546507060.db2.gz	BGISFBKWZCSZGM-UHFFFAOYSA-N	1	1	361.442	2.416	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)NCC[N@H+](C)Cc1ccc(F)cc1	ZINC000176915287	546507063	/nfs/dbraw/zinc/50/70/63/546507063.db2.gz	BGISFBKWZCSZGM-UHFFFAOYSA-N	1	1	361.442	2.416	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000177440993	546618974	/nfs/dbraw/zinc/61/89/74/546618974.db2.gz	KJKDWGKIGKDTBV-FQEVSTJZSA-N	1	1	357.454	2.435	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000177440993	546618978	/nfs/dbraw/zinc/61/89/78/546618978.db2.gz	KJKDWGKIGKDTBV-FQEVSTJZSA-N	1	1	357.454	2.435	20	30		FEEDMO
CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000177633906	546657452	/nfs/dbraw/zinc/65/74/52/546657452.db2.gz	QMVKFVUACUUWMP-LBPRGKRZSA-N	1	1	361.389	2.340	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000177633906	546657457	/nfs/dbraw/zinc/65/74/57/546657457.db2.gz	QMVKFVUACUUWMP-LBPRGKRZSA-N	1	1	361.389	2.340	20	30		FEEDMO
N#CCCCCNC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000178686898	546832650	/nfs/dbraw/zinc/83/26/50/546832650.db2.gz	QQMUTQYDBCJVJC-UHFFFAOYSA-N	1	1	363.893	2.455	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)CC1	ZINC000178797384	546851117	/nfs/dbraw/zinc/85/11/17/546851117.db2.gz	WWZZRYROOVKISI-UHFFFAOYSA-N	1	1	372.874	2.055	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000481782581	561242050	/nfs/dbraw/zinc/24/20/50/561242050.db2.gz	YGLYBVZETQDAIJ-JKSUJKDBSA-N	1	1	363.527	2.499	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)[C@@H]1c1ccccc1	ZINC000178943605	546878099	/nfs/dbraw/zinc/87/80/99/546878099.db2.gz	RJIXUJYSMVIPRA-WMZOPIPTSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2C#N)[C@@H]1c1ccccc1	ZINC000178943605	546878100	/nfs/dbraw/zinc/87/81/00/546878100.db2.gz	RJIXUJYSMVIPRA-WMZOPIPTSA-N	1	1	359.426	2.421	20	30		FEEDMO
CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000481737671	561240204	/nfs/dbraw/zinc/24/02/04/561240204.db2.gz	PAUQYSXSNOHIHE-HZPDHXFCSA-N	1	1	370.409	2.151	20	30		FEEDMO
CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1	ZINC000481737671	561240205	/nfs/dbraw/zinc/24/02/05/561240205.db2.gz	PAUQYSXSNOHIHE-HZPDHXFCSA-N	1	1	370.409	2.151	20	30		FEEDMO
N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1	ZINC000179892288	547024465	/nfs/dbraw/zinc/02/44/65/547024465.db2.gz	VPJJTPXMLMGONX-LJQANCHMSA-N	1	1	371.481	2.440	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2cc(C#N)ccn2)C[C@H](C)O1	ZINC000482997425	561264567	/nfs/dbraw/zinc/26/45/67/561264567.db2.gz	DJARPRDDMDTWAO-IYBDPMFKSA-N	1	1	364.449	2.492	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2cc(C#N)ccn2)C[C@H](C)O1	ZINC000482997425	561264568	/nfs/dbraw/zinc/26/45/68/561264568.db2.gz	DJARPRDDMDTWAO-IYBDPMFKSA-N	1	1	364.449	2.492	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1	ZINC000181155684	547259199	/nfs/dbraw/zinc/25/91/99/547259199.db2.gz	XFWKSRICRVGSSJ-GJZGRUSLSA-N	1	1	369.469	2.451	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1	ZINC000181155684	547259205	/nfs/dbraw/zinc/25/92/05/547259205.db2.gz	XFWKSRICRVGSSJ-GJZGRUSLSA-N	1	1	369.469	2.451	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1	ZINC000181155684	547259210	/nfs/dbraw/zinc/25/92/10/547259210.db2.gz	XFWKSRICRVGSSJ-GJZGRUSLSA-N	1	1	369.469	2.451	20	30		FEEDMO
N#Cc1cc(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)c[nH]1	ZINC000181217680	547272163	/nfs/dbraw/zinc/27/21/63/547272163.db2.gz	SNEOHJAMKJTLDZ-UHFFFAOYSA-N	1	1	363.421	2.426	20	30		FEEDMO
C[N@H+](Cc1cccc(C#N)c1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1	ZINC000181959074	547413778	/nfs/dbraw/zinc/41/37/78/547413778.db2.gz	JDDXCVAVQGWNIP-IBGZPJMESA-N	1	1	358.463	2.301	20	30		FEEDMO
C[N@@H+](Cc1cccc(C#N)c1)C[C@](C)(O)c1ccc(S(C)(=O)=O)cc1	ZINC000181959074	547413780	/nfs/dbraw/zinc/41/37/80/547413780.db2.gz	JDDXCVAVQGWNIP-IBGZPJMESA-N	1	1	358.463	2.301	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC3(CCC3)C2)CC1	ZINC000182851449	547561844	/nfs/dbraw/zinc/56/18/44/547561844.db2.gz	VVPCZNVMFASSLR-MRXNPFEDSA-N	1	1	358.511	2.333	20	30		FEEDMO
CCOCCO[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182921492	547573396	/nfs/dbraw/zinc/57/33/96/547573396.db2.gz	JDLUXPFWZBFCNZ-RBUKOAKNSA-N	1	1	357.454	2.181	20	30		FEEDMO
CCOCCO[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182921492	547573399	/nfs/dbraw/zinc/57/33/99/547573399.db2.gz	JDLUXPFWZBFCNZ-RBUKOAKNSA-N	1	1	357.454	2.181	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H](C)C1	ZINC000184626602	547856859	/nfs/dbraw/zinc/85/68/59/547856859.db2.gz	CIAWMWQPOSYHNH-PBHICJAKSA-N	1	1	367.457	2.333	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc(C#N)ccc1Cl	ZINC000184918268	547900239	/nfs/dbraw/zinc/90/02/39/547900239.db2.gz	BGRQPJVQNLUFAO-UHFFFAOYSA-N	1	1	352.847	2.475	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)CC1	ZINC000186183791	548095892	/nfs/dbraw/zinc/09/58/92/548095892.db2.gz	ZSPBNAXWLCHORA-FQEVSTJZSA-N	1	1	366.509	2.226	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2Cc3ccccc3C3(CC3)C2)CC1	ZINC000186183791	548095895	/nfs/dbraw/zinc/09/58/95/548095895.db2.gz	ZSPBNAXWLCHORA-FQEVSTJZSA-N	1	1	366.509	2.226	20	30		FEEDMO
COc1cc([C@@H](C#N)NC(=O)[C@@H]2CCCc3[nH+]ccn32)cc(OC)c1OC	ZINC000486125515	561338648	/nfs/dbraw/zinc/33/86/48/561338648.db2.gz	VCUFFKPAVOHAEL-KGLIPLIRSA-N	1	1	370.409	2.167	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C	ZINC000187205538	548253684	/nfs/dbraw/zinc/25/36/84/548253684.db2.gz	YJJORVIXJASFAS-INIZCTEOSA-N	1	1	357.454	2.018	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1	ZINC000187711439	548261347	/nfs/dbraw/zinc/26/13/47/548261347.db2.gz	RDYUVKUZIBXKRZ-AWEZNQCLSA-N	1	1	374.510	2.429	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000187699172	548261600	/nfs/dbraw/zinc/26/16/00/548261600.db2.gz	VERIWURYTRQFBL-UHFFFAOYSA-N	1	1	360.483	2.183	20	30		FEEDMO
C=C(C)[C@@H]([NH2+]CC(=O)N1CCC[C@H](NC(C)=O)C1)c1ccc(F)c(F)c1	ZINC000187754608	548262407	/nfs/dbraw/zinc/26/24/07/548262407.db2.gz	PDBLDRZWFNKLRI-HNAYVOBHSA-N	1	1	365.424	2.299	20	30		FEEDMO
COCCO[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000189707326	548309958	/nfs/dbraw/zinc/30/99/58/548309958.db2.gz	HXFZHXFFOVGSSX-GOSISDBHSA-N	1	1	359.470	2.287	20	30		FEEDMO
COCCO[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000189707326	548309962	/nfs/dbraw/zinc/30/99/62/548309962.db2.gz	HXFZHXFFOVGSSX-GOSISDBHSA-N	1	1	359.470	2.287	20	30		FEEDMO
C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1(O)CCOCC1	ZINC000189755754	548311713	/nfs/dbraw/zinc/31/17/13/548311713.db2.gz	AWKOJCQYVXWMHD-UHFFFAOYSA-N	1	1	355.438	2.211	20	30		FEEDMO
C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)CC1(O)CCOCC1	ZINC000189755754	548311716	/nfs/dbraw/zinc/31/17/16/548311716.db2.gz	AWKOJCQYVXWMHD-UHFFFAOYSA-N	1	1	355.438	2.211	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1	ZINC000189952498	548315125	/nfs/dbraw/zinc/31/51/25/548315125.db2.gz	PNFXLCNDXHXKOC-UHFFFAOYSA-N	1	1	353.444	2.140	20	30		FEEDMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000190074201	548316113	/nfs/dbraw/zinc/31/61/13/548316113.db2.gz	AWTGBWBJXOOBJC-WMLDXEAASA-N	1	1	354.454	2.121	20	30		FEEDMO
C#CCN(CC#C)C(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1	ZINC000190417996	548324041	/nfs/dbraw/zinc/32/40/41/548324041.db2.gz	IMSPQHUWAGFVRB-UHFFFAOYSA-N	1	1	362.433	2.088	20	30		FEEDMO
C[C@@H]1CCCN(C(=O)C2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)C1	ZINC000194223276	548451908	/nfs/dbraw/zinc/45/19/08/548451908.db2.gz	XBOUXJAZOICZJS-MRXNPFEDSA-N	1	1	368.481	2.467	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)O1	ZINC000194572516	548500666	/nfs/dbraw/zinc/50/06/66/548500666.db2.gz	MONONSRNRZBOBT-MDZRGWNJSA-N	1	1	356.470	2.070	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3F)C2=O)cc1	ZINC000486904660	561359307	/nfs/dbraw/zinc/35/93/07/561359307.db2.gz	PTMJNEJXLVYEEY-SFHVURJKSA-N	1	1	368.368	2.496	20	30		FEEDMO
CC[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1CCOC	ZINC000245536700	548940428	/nfs/dbraw/zinc/94/04/28/548940428.db2.gz	XSKMOOMQRBYTTB-QUCCMNQESA-N	1	1	370.497	2.096	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c1	ZINC000245842806	549002801	/nfs/dbraw/zinc/00/28/01/549002801.db2.gz	HSHXCCXHNRLVKK-IAGOWNOFSA-N	1	1	356.470	2.136	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[N@H+]1C1CC1	ZINC000246153308	549063538	/nfs/dbraw/zinc/06/35/38/549063538.db2.gz	DFBIPXYTBVWTFG-KPFFTGBYSA-N	1	1	367.497	2.031	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[C@H]1O	ZINC000246247066	549087818	/nfs/dbraw/zinc/08/78/18/549087818.db2.gz	GOXIVMWRAMRANO-LZLYRXPVSA-N	1	1	359.470	2.423	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@@H](O)COCc1ccccc1	ZINC000246366990	549116772	/nfs/dbraw/zinc/11/67/72/549116772.db2.gz	LQRNOFYXZSOBCE-IEBWSBKVSA-N	1	1	373.497	2.227	20	30		FEEDMO
CCN(C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000488703364	561394950	/nfs/dbraw/zinc/39/49/50/561394950.db2.gz	VGMIDFKJPYZXJN-ZWKOTPCHSA-N	1	1	372.513	2.005	20	30		FEEDMO
C[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000246703933	549192061	/nfs/dbraw/zinc/19/20/61/549192061.db2.gz	KGLXURQAETYACP-DMUMMCEESA-N	1	1	354.498	2.484	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC[C@H]21	ZINC000247136503	549288737	/nfs/dbraw/zinc/28/87/37/549288737.db2.gz	RYXCEFQYGVUDKL-MLGOLLRUSA-N	1	1	353.875	2.316	20	30		FEEDMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cn3ccccc3c2C#N)C1	ZINC000247879484	549388323	/nfs/dbraw/zinc/38/83/23/549388323.db2.gz	PLTGDROPBRMJDE-CVEARBPZSA-N	1	1	354.454	2.174	20	30		FEEDMO
CC[NH+](CC)[C@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccco1	ZINC000489265120	561406877	/nfs/dbraw/zinc/40/68/77/561406877.db2.gz	MLUQUAJZCXAMBA-MRXNPFEDSA-N	1	1	362.455	2.216	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)[C@H]4CCCC[C@H]43)CC2)o1	ZINC000248449498	549439925	/nfs/dbraw/zinc/43/99/25/549439925.db2.gz	XREVEUCDHSULFN-YXJHDRRASA-N	1	1	371.485	2.014	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C	ZINC000248608196	549466812	/nfs/dbraw/zinc/46/68/12/549466812.db2.gz	WCOOWGIDNZIOEX-SJORKVTESA-N	1	1	369.465	2.111	20	30		FEEDMO
C=C(C)CS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000248823805	549507730	/nfs/dbraw/zinc/50/77/30/549507730.db2.gz	FXYSBLFRXXLCOB-MSOLQXFVSA-N	1	1	357.564	2.161	20	30		FEEDMO
C=C(C)CS(=O)(=O)N(C)[C@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1	ZINC000248823805	549507732	/nfs/dbraw/zinc/50/77/32/549507732.db2.gz	FXYSBLFRXXLCOB-MSOLQXFVSA-N	1	1	357.564	2.161	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000248865412	549517196	/nfs/dbraw/zinc/51/71/96/549517196.db2.gz	AWMMNZZDUBSOII-WGMWDUQUSA-N	1	1	356.514	2.495	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1	ZINC000249255306	549573276	/nfs/dbraw/zinc/57/32/76/549573276.db2.gz	YJIUINULIHADLZ-YJBOKZPZSA-N	1	1	357.454	2.133	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)[N@@H+](C)C1CC1	ZINC000263941531	549957812	/nfs/dbraw/zinc/95/78/12/549957812.db2.gz	QLHAULMGOZFISP-JTQLQIEISA-N	1	1	361.389	2.338	20	30		FEEDMO
C#CCOc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1	ZINC000264577907	549998402	/nfs/dbraw/zinc/99/84/02/549998402.db2.gz	WYKWVDCZRLATPG-KRWDZBQOSA-N	1	1	371.481	2.265	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)cc1	ZINC000265044728	550005430	/nfs/dbraw/zinc/00/54/30/550005430.db2.gz	RLZOHLXYALOZPQ-UHFFFAOYSA-N	1	1	354.454	2.123	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cccc(CC#N)c1	ZINC000265436895	550010287	/nfs/dbraw/zinc/01/02/87/550010287.db2.gz	GZTWJFUANHOTQU-QGZVFWFLSA-N	1	1	363.465	2.088	20	30		FEEDMO
N#CCN1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1	ZINC000266109437	550017241	/nfs/dbraw/zinc/01/72/41/550017241.db2.gz	SJYNKENUHZJHJX-UXHICEINSA-N	1	1	354.498	2.250	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000267889212	550035245	/nfs/dbraw/zinc/03/52/45/550035245.db2.gz	REPLWODEVGISIS-LLVKDONJSA-N	1	1	355.360	2.221	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)CC1	ZINC000268518608	550081156	/nfs/dbraw/zinc/08/11/56/550081156.db2.gz	UQLMGGSJDWGBOG-UHFFFAOYSA-N	1	1	367.371	2.445	20	30		FEEDMO
CCC[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC(C)(C)O	ZINC000268571276	550088714	/nfs/dbraw/zinc/08/87/14/550088714.db2.gz	QJKGPUVRFAWXJI-UHFFFAOYSA-N	1	1	355.442	2.165	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)OC	ZINC000268625026	550095924	/nfs/dbraw/zinc/09/59/24/550095924.db2.gz	JIXKCXIBIJVGJS-NVXWUHKLSA-N	1	1	363.454	2.493	20	30		FEEDMO
N#Cc1ccc(/C=C/C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1	ZINC000269587125	550208518	/nfs/dbraw/zinc/20/85/18/550208518.db2.gz	XJGPQKDZWHFYKC-GLCJEOIMSA-N	1	1	361.445	2.107	20	30		FEEDMO
C[C@H](CO)CCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000270532391	550281299	/nfs/dbraw/zinc/28/12/99/550281299.db2.gz	ONNYFIMNGBKCML-KRWDZBQOSA-N	1	1	358.486	2.184	20	30		FEEDMO
COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000271131126	550343327	/nfs/dbraw/zinc/34/33/27/550343327.db2.gz	KDZGEXJTMGODKO-HKUYNNGSSA-N	1	1	372.513	2.400	20	30		FEEDMO
COCCCOCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000271504316	550380467	/nfs/dbraw/zinc/38/04/67/550380467.db2.gz	LRKFGEIETQCLBS-INIZCTEOSA-N	1	1	365.449	2.446	20	30		FEEDMO
COCCCOCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000271504316	550380468	/nfs/dbraw/zinc/38/04/68/550380468.db2.gz	LRKFGEIETQCLBS-INIZCTEOSA-N	1	1	365.449	2.446	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)CC1=O	ZINC000494411534	561469201	/nfs/dbraw/zinc/46/92/01/561469201.db2.gz	BVMKSDAMIVYFQF-IRXDYDNUSA-N	1	1	362.518	2.108	20	30		FEEDMO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCC[N@H+](C(C)C)C1	ZINC000274555432	550543587	/nfs/dbraw/zinc/54/35/87/550543587.db2.gz	YIODCNYEFWHDSS-KRWDZBQOSA-N	1	1	368.485	2.139	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccccc2C(=O)OC)o1	ZINC000274804624	550555852	/nfs/dbraw/zinc/55/58/52/550555852.db2.gz	BQXPSECHQSYJJH-UHFFFAOYSA-N	1	1	363.435	2.424	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](O)C(C)(C)C1	ZINC000275396003	550571954	/nfs/dbraw/zinc/57/19/54/550571954.db2.gz	DDHQITJNQCDWAE-MAUKXSAKSA-N	1	1	359.470	2.423	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](O)C(C)(C)C1	ZINC000275396003	550571955	/nfs/dbraw/zinc/57/19/55/550571955.db2.gz	DDHQITJNQCDWAE-MAUKXSAKSA-N	1	1	359.470	2.423	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@@H+](CCO)C2CCOCC2)cc1C	ZINC000275515073	550572667	/nfs/dbraw/zinc/57/26/67/550572667.db2.gz	IMRLWZJNNFZPQQ-UHFFFAOYSA-N	1	1	359.470	2.023	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1)C1CC1	ZINC000277757942	550710924	/nfs/dbraw/zinc/71/09/24/550710924.db2.gz	JVQLTWYAKDQSIN-MEDUHNTESA-N	1	1	369.391	2.416	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1)C1CC1	ZINC000277757942	550710926	/nfs/dbraw/zinc/71/09/26/550710926.db2.gz	JVQLTWYAKDQSIN-MEDUHNTESA-N	1	1	369.391	2.416	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000277824070	550718351	/nfs/dbraw/zinc/71/83/51/550718351.db2.gz	HUWBPWCBRQJCEY-UHFFFAOYSA-N	1	1	372.860	2.248	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNC(=O)NC2(c3cccc(C#N)c3)CC2)CCCO1	ZINC000277865386	550723067	/nfs/dbraw/zinc/72/30/67/550723067.db2.gz	ZOBPJUGHSXOJPM-MRXNPFEDSA-N	1	1	356.470	2.347	20	30		FEEDMO
N#Cc1cccc(NCC(=O)N2CC[NH+](CCc3cccs3)CC2)c1	ZINC000495066105	561481820	/nfs/dbraw/zinc/48/18/20/561481820.db2.gz	GLINKLXFLBHKKQ-UHFFFAOYSA-N	1	1	354.479	2.419	20	30		FEEDMO
C=CCn1c(=O)[nH]nc1SC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000278686036	550811348	/nfs/dbraw/zinc/81/13/48/550811348.db2.gz	ZANPWBRILQPUHJ-INIZCTEOSA-N	1	1	360.483	2.141	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)CN1CCC(c2[nH+]cc3n2CCCC3)CC1	ZINC000278776981	550820638	/nfs/dbraw/zinc/82/06/38/550820638.db2.gz	CULQSVGZTDHUGY-HXUWFJFHSA-N	1	1	357.502	2.453	20	30		FEEDMO
N#Cc1cc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1F	ZINC000278801759	550823379	/nfs/dbraw/zinc/82/33/79/550823379.db2.gz	PTTLBLYJIAMPHB-SFHVURJKSA-N	1	1	353.397	2.194	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CC)C[C@H](O)COc2cccc3[nH]ccc32)n1	ZINC000279661258	550914013	/nfs/dbraw/zinc/91/40/13/550914013.db2.gz	CVNOQUMQMTXELJ-KRWDZBQOSA-N	1	1	352.438	2.259	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CC)C[C@H](O)COc2cccc3[nH]ccc32)n1	ZINC000279661258	550914015	/nfs/dbraw/zinc/91/40/15/550914015.db2.gz	CVNOQUMQMTXELJ-KRWDZBQOSA-N	1	1	352.438	2.259	20	30		FEEDMO
Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ccc(OCC#N)cc1	ZINC000279692460	550917417	/nfs/dbraw/zinc/91/74/17/550917417.db2.gz	IBIMZZDLQCSALA-HKUYNNGSSA-N	1	1	371.460	2.367	20	30		FEEDMO
Cc1cccc(CC2(O)CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)c1	ZINC000280541459	551005740	/nfs/dbraw/zinc/00/57/40/551005740.db2.gz	PSOMRYSLTIWYOY-UHFFFAOYSA-N	1	1	368.481	2.020	20	30		FEEDMO
C[C@@]1(C(N)=O)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000280693399	551021885	/nfs/dbraw/zinc/02/18/85/551021885.db2.gz	HUDJOZNEHOAQKA-LJQANCHMSA-N	1	1	374.510	2.415	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000281412066	551093914	/nfs/dbraw/zinc/09/39/14/551093914.db2.gz	MZFMOWMODBCMQN-ZJOUEHCJSA-N	1	1	358.482	2.375	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000281412066	551093916	/nfs/dbraw/zinc/09/39/16/551093916.db2.gz	MZFMOWMODBCMQN-ZJOUEHCJSA-N	1	1	358.482	2.375	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)C1=O	ZINC000281442963	551098028	/nfs/dbraw/zinc/09/80/28/551098028.db2.gz	UBSRSRCHRCWFNH-OALUTQOASA-N	1	1	355.482	2.289	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000281575612	551115123	/nfs/dbraw/zinc/11/51/23/551115123.db2.gz	AWPNAQIMSSUFEY-UHFFFAOYSA-N	1	1	358.530	2.453	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH2+][C@@]2(CO)CCOc3ccccc32)cc1Cl	ZINC000281727404	551135938	/nfs/dbraw/zinc/13/59/38/551135938.db2.gz	PMSZPXPJUGBOAR-LJQANCHMSA-N	1	1	371.824	2.410	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1	ZINC000281855848	551149057	/nfs/dbraw/zinc/14/90/57/551149057.db2.gz	RPCYOWJEWGJWHS-AEFFLSMTSA-N	1	1	355.442	2.356	20	30		FEEDMO
CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000497370068	561499648	/nfs/dbraw/zinc/49/96/48/561499648.db2.gz	MTHFKEHGLULSAB-APWZRJJASA-N	1	1	370.497	2.191	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(Cc3ncnn3-c3ccccc3)CC2)cc1	ZINC000282125886	551183792	/nfs/dbraw/zinc/18/37/92/551183792.db2.gz	YEJGCYGCDFZAHL-UHFFFAOYSA-N	1	1	358.449	2.457	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000497383663	561499925	/nfs/dbraw/zinc/49/99/25/561499925.db2.gz	DZYOSGQJHYBNFJ-XLSPSMHOSA-N	1	1	364.534	2.446	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)O1	ZINC000282365751	551218016	/nfs/dbraw/zinc/21/80/16/551218016.db2.gz	DOKSQKNTHITYQR-NBMRYCAZSA-N	1	1	371.437	2.070	20	30		FEEDMO
C=CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000282443511	551229956	/nfs/dbraw/zinc/22/99/56/551229956.db2.gz	ZRVCRUPIESOTAL-RDJZCZTQSA-N	1	1	372.517	2.055	20	30		FEEDMO
N#CC1CCC(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1	ZINC000282573077	551247651	/nfs/dbraw/zinc/24/76/51/551247651.db2.gz	DESPQCCDUXTZKH-UHYCVJNDSA-N	1	1	370.497	2.382	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000283073468	551307500	/nfs/dbraw/zinc/30/75/00/551307500.db2.gz	UYIGODBTOMOTSZ-AEFFLSMTSA-N	1	1	364.515	2.062	20	30		FEEDMO
Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000283215427	551330620	/nfs/dbraw/zinc/33/06/20/551330620.db2.gz	QLIQWWCEHVDKFW-UHFFFAOYSA-N	1	1	359.437	2.071	20	30		FEEDMO
C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000283228051	551332403	/nfs/dbraw/zinc/33/24/03/551332403.db2.gz	JRGGTWPBGMIPDL-QGZVFWFLSA-N	1	1	368.485	2.075	20	30		FEEDMO
COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O	ZINC000284942595	551672930	/nfs/dbraw/zinc/67/29/30/551672930.db2.gz	VUVJSCKNYAFZOR-HLNWXESRSA-N	1	1	358.438	2.024	20	30		FEEDMO
COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O	ZINC000284942595	551672933	/nfs/dbraw/zinc/67/29/33/551672933.db2.gz	VUVJSCKNYAFZOR-HLNWXESRSA-N	1	1	358.438	2.024	20	30		FEEDMO
N#CC1(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)CCOCC1	ZINC000285360294	551743622	/nfs/dbraw/zinc/74/36/22/551743622.db2.gz	BLIFNXHNEOYRAZ-INIZCTEOSA-N	1	1	363.408	2.333	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1	ZINC000498850738	561535832	/nfs/dbraw/zinc/53/58/32/561535832.db2.gz	BRMMIVGUIUXHEF-ZWKOTPCHSA-N	1	1	355.463	2.243	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1	ZINC000498850738	561535833	/nfs/dbraw/zinc/53/58/33/561535833.db2.gz	BRMMIVGUIUXHEF-ZWKOTPCHSA-N	1	1	355.463	2.243	20	30		FEEDMO
CC(C)(C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)cc(C#N)c1	ZINC000285494150	551765364	/nfs/dbraw/zinc/76/53/64/551765364.db2.gz	ARCWSQPJXVVQCN-GOSISDBHSA-N	1	1	361.461	2.328	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000285864330	551820664	/nfs/dbraw/zinc/82/06/64/551820664.db2.gz	DOCUGYOYEXFRKE-IYBDPMFKSA-N	1	1	358.461	2.328	20	30		FEEDMO
CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NCCCCC#N	ZINC000286723109	551918926	/nfs/dbraw/zinc/91/89/26/551918926.db2.gz	LXNVYYGUNOEVAN-GOSISDBHSA-N	1	1	358.486	2.069	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000286919237	551940189	/nfs/dbraw/zinc/94/01/89/551940189.db2.gz	AWPJPNSOIYZLNP-SFTDATJTSA-N	1	1	370.541	2.192	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1	ZINC000288731639	552202404	/nfs/dbraw/zinc/20/24/04/552202404.db2.gz	GQFPXFLJHGJIJG-WOJBJXKFSA-N	1	1	361.461	2.107	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1	ZINC000288731639	552202405	/nfs/dbraw/zinc/20/24/05/552202405.db2.gz	GQFPXFLJHGJIJG-WOJBJXKFSA-N	1	1	361.461	2.107	20	30		FEEDMO
C#CCC(C)(C)c1nc(-c2ccccc2C[N@@H+]2CCC[C@@H]2C(N)=O)no1	ZINC000288922558	552236683	/nfs/dbraw/zinc/23/66/83/552236683.db2.gz	DFAFPZNPVLAUMU-MRXNPFEDSA-N	1	1	352.438	2.487	20	30		FEEDMO
C#CCC(C)(C)c1nc(-c2ccccc2C[N@H+]2CCC[C@@H]2C(N)=O)no1	ZINC000288922558	552236685	/nfs/dbraw/zinc/23/66/85/552236685.db2.gz	DFAFPZNPVLAUMU-MRXNPFEDSA-N	1	1	352.438	2.487	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1	ZINC000288924328	552237137	/nfs/dbraw/zinc/23/71/37/552237137.db2.gz	MAUQBSOOOLNKEG-CRAIPNDOSA-N	1	1	368.481	2.037	20	30		FEEDMO
N#Cc1cncc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1	ZINC000289391311	552313352	/nfs/dbraw/zinc/31/33/52/552313352.db2.gz	CPHOMZQXUGCVGT-HNNXBMFYSA-N	1	1	362.480	2.130	20	30		FEEDMO
Cc1cnccc1OC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000289468307	552326205	/nfs/dbraw/zinc/32/62/05/552326205.db2.gz	WTSZAVKTMNFHON-UHFFFAOYSA-N	1	1	364.449	2.421	20	30		FEEDMO
Cc1csc([C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)n1	ZINC000289938844	552402852	/nfs/dbraw/zinc/40/28/52/552402852.db2.gz	OQHJAYFYZMSIRZ-OAHLLOKOSA-N	1	1	362.480	2.233	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(CNc3nc4ccccn4c3C#N)cc2)CC1	ZINC000290602428	552505036	/nfs/dbraw/zinc/50/50/36/552505036.db2.gz	ZCAUSTSLDBEWHF-UHFFFAOYSA-N	1	1	374.448	2.206	20	30		FEEDMO
C[NH+](C)CCCOc1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1	ZINC000291003502	552574811	/nfs/dbraw/zinc/57/48/11/552574811.db2.gz	VKRQSIJNFUVDMR-UHFFFAOYSA-N	1	1	360.439	2.085	20	30		FEEDMO
COCC[C@@H]1COCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000291131654	552590892	/nfs/dbraw/zinc/59/08/92/552590892.db2.gz	BWRZDLKBOMPJNN-CYBMUJFWSA-N	1	1	363.483	2.174	20	30		FEEDMO
COCC[C@@H]1COCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000291131654	552590894	/nfs/dbraw/zinc/59/08/94/552590894.db2.gz	BWRZDLKBOMPJNN-CYBMUJFWSA-N	1	1	363.483	2.174	20	30		FEEDMO
COCC1(C#N)CCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1	ZINC000501336999	561595434	/nfs/dbraw/zinc/59/54/34/561595434.db2.gz	YJFHRCSCFASCRU-IBGZPJMESA-N	1	1	371.481	2.056	20	30		FEEDMO
COCC1(C#N)CCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1	ZINC000501336999	561595435	/nfs/dbraw/zinc/59/54/35/561595435.db2.gz	YJFHRCSCFASCRU-IBGZPJMESA-N	1	1	371.481	2.056	20	30		FEEDMO
C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292137764	552697470	/nfs/dbraw/zinc/69/74/70/552697470.db2.gz	JGPMUGZYVVZZLY-CRAIPNDOSA-N	1	1	350.422	2.111	20	30		FEEDMO
C[C@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292137764	552697471	/nfs/dbraw/zinc/69/74/71/552697471.db2.gz	JGPMUGZYVVZZLY-CRAIPNDOSA-N	1	1	350.422	2.111	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](C)C2)C1	ZINC000292195755	552703308	/nfs/dbraw/zinc/70/33/08/552703308.db2.gz	RTXQMHXCAMAZKG-DYESRHJHSA-N	1	1	370.497	2.358	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1	ZINC000292661456	552747515	/nfs/dbraw/zinc/74/75/15/552747515.db2.gz	ALFRSFPMHCKXHD-UHFFFAOYSA-N	1	1	362.861	2.019	20	30		FEEDMO
OCc1cn([C@@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)nn1	ZINC000293015718	552780769	/nfs/dbraw/zinc/78/07/69/552780769.db2.gz	QDXUWWRYUKYACZ-QGZVFWFLSA-N	1	1	364.371	2.478	20	30		FEEDMO
OCc1cn([C@@H]2CCC[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)nn1	ZINC000293015718	552780770	/nfs/dbraw/zinc/78/07/70/552780770.db2.gz	QDXUWWRYUKYACZ-QGZVFWFLSA-N	1	1	364.371	2.478	20	30		FEEDMO
CC[N@H+](C[C@@H](O)COc1ccc(CCOC)cc1)C[C@H](C#N)CCC#N	ZINC000293031239	552782491	/nfs/dbraw/zinc/78/24/91/552782491.db2.gz	RPIWHWNTKSPDDC-RBUKOAKNSA-N	1	1	359.470	2.381	20	30		FEEDMO
CC[N@@H+](C[C@@H](O)COc1ccc(CCOC)cc1)C[C@H](C#N)CCC#N	ZINC000293031239	552782492	/nfs/dbraw/zinc/78/24/92/552782492.db2.gz	RPIWHWNTKSPDDC-RBUKOAKNSA-N	1	1	359.470	2.381	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC[N@H+](C2CCC2)C1	ZINC000293436316	552823463	/nfs/dbraw/zinc/82/34/63/552823463.db2.gz	OFBTWUOGZXRASS-ZDUSSCGKSA-N	1	1	374.872	2.483	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1	ZINC000293476471	552827724	/nfs/dbraw/zinc/82/77/24/552827724.db2.gz	VHQBONATUOXQEP-FQEVSTJZSA-N	1	1	357.454	2.134	20	30		FEEDMO
C[N@@H+](C[C@H](O)Cc1ccccc1)[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000293486253	552828693	/nfs/dbraw/zinc/82/86/93/552828693.db2.gz	YMSMJLVVMGWUSU-SJORKVTESA-N	1	1	355.463	2.260	20	30		FEEDMO
CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CC[C@H](C#N)C1	ZINC000293645392	552843505	/nfs/dbraw/zinc/84/35/05/552843505.db2.gz	XSKDOPKAIUWXMN-LPHOPBHVSA-N	1	1	356.470	2.476	20	30		FEEDMO
CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)[C@H]1CC[C@H](C#N)C1	ZINC000293645392	552843507	/nfs/dbraw/zinc/84/35/07/552843507.db2.gz	XSKDOPKAIUWXMN-LPHOPBHVSA-N	1	1	356.470	2.476	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000294174930	552887964	/nfs/dbraw/zinc/88/79/64/552887964.db2.gz	JQFUUVHJOMDLTR-ZIAGYGMSSA-N	1	1	353.463	2.237	20	30		FEEDMO
Cc1nsc(NC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1C#N	ZINC000294305960	552895440	/nfs/dbraw/zinc/89/54/40/552895440.db2.gz	VMHFYFNBIXLFJC-UHFFFAOYSA-N	1	1	351.476	2.145	20	30		FEEDMO
CN(C)c1[nH+]cc(CNC(=O)c2ccc(Br)cc2C#N)n1C	ZINC000294933645	552945352	/nfs/dbraw/zinc/94/53/52/552945352.db2.gz	LSPOTXRNYUTATH-UHFFFAOYSA-N	1	1	362.231	2.050	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCCO1	ZINC000295304353	552984490	/nfs/dbraw/zinc/98/44/90/552984490.db2.gz	KDUQFBBSRRHNIS-GFCCVEGCSA-N	1	1	370.375	2.203	20	30		FEEDMO
CC(C)(C[C@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1)C(N)=O	ZINC000295468603	553011767	/nfs/dbraw/zinc/01/17/67/553011767.db2.gz	GABJCQCCBSYOFZ-HIFRSBDPSA-N	1	1	374.510	2.339	20	30		FEEDMO
CC(C)(C[C@H]1CCC[N@H+]([C@H]2CCN(c3sccc3C#N)C2=O)C1)C(N)=O	ZINC000295468603	553011769	/nfs/dbraw/zinc/01/17/69/553011769.db2.gz	GABJCQCCBSYOFZ-HIFRSBDPSA-N	1	1	374.510	2.339	20	30		FEEDMO
CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1)C(N)=O	ZINC000295513802	553018952	/nfs/dbraw/zinc/01/89/52/553018952.db2.gz	IBTYMYCODPUGES-FUHWJXTLSA-N	1	1	368.481	2.277	20	30		FEEDMO
CC[N@H+]1CC[C@H]2OCCN(c3ncc(Br)cc3C#N)[C@H]2C1	ZINC000295725525	553050681	/nfs/dbraw/zinc/05/06/81/553050681.db2.gz	VAEQYILXPAPVDV-UONOGXRCSA-N	1	1	351.248	2.015	20	30		FEEDMO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](C(C)C)CC1	ZINC000296049510	553095992	/nfs/dbraw/zinc/09/59/92/553095992.db2.gz	RERNDEDBWBRSKM-UHFFFAOYSA-N	1	1	360.506	2.011	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N(C)Cc1ccc(OC)c(OC(F)F)c1	ZINC000296496737	553169751	/nfs/dbraw/zinc/16/97/51/553169751.db2.gz	BEUQDGKHAZLSRM-UHFFFAOYSA-N	1	1	369.412	2.393	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NCc1cccc(NC(=O)[C@H](C)CC)c1	ZINC000296502578	553170906	/nfs/dbraw/zinc/17/09/06/553170906.db2.gz	YSZQWIPSBKSMOR-MRXNPFEDSA-N	1	1	358.486	2.426	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(C#N)o2)[C@@H]1c1cnn(C)c1	ZINC000502731053	561624190	/nfs/dbraw/zinc/62/41/90/561624190.db2.gz	QKKQLVMHTUQMDW-KBXCAEBGSA-N	1	1	355.442	2.430	20	30		FEEDMO
C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)c3[nH+]ccn3c2)c1	ZINC000502766255	561625012	/nfs/dbraw/zinc/62/50/12/561625012.db2.gz	IBHFDFXRCHFKLZ-UHFFFAOYSA-N	1	1	370.434	2.359	20	30		FEEDMO
Cc1nsc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1C#N	ZINC000297291881	553274450	/nfs/dbraw/zinc/27/44/50/553274450.db2.gz	AOGBEFCSKWDTIR-GHMZBOCLSA-N	1	1	351.476	2.333	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1	ZINC000297635671	553318384	/nfs/dbraw/zinc/31/83/84/553318384.db2.gz	IHKBMDKOXXELNY-AOIWGVFYSA-N	1	1	370.497	2.116	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(C/N=C/c3cccc(O)c3O)cc2)CC1	ZINC000298654456	553454687	/nfs/dbraw/zinc/45/46/87/553454687.db2.gz	PPWDSAXJZJWQCI-KGENOOAVSA-N	1	1	353.422	2.105	20	30		FEEDMO
CC[N@H+](CCC(=O)OC)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000299453912	553565533	/nfs/dbraw/zinc/56/55/33/553565533.db2.gz	SXCWQARFFHDEGR-UHFFFAOYSA-N	1	1	351.834	2.472	20	30		FEEDMO
CC[N@@H+](CCC(=O)OC)CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000299453912	553565535	/nfs/dbraw/zinc/56/55/35/553565535.db2.gz	SXCWQARFFHDEGR-UHFFFAOYSA-N	1	1	351.834	2.472	20	30		FEEDMO
CN(C)c1cc[nH+]c(N2CCN(c3c(C#N)cnc4ccccc43)CC2)n1	ZINC000301736809	553675701	/nfs/dbraw/zinc/67/57/01/553675701.db2.gz	ROGGLILXCCXZGD-UHFFFAOYSA-N	1	1	359.437	2.289	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000303445308	553745519	/nfs/dbraw/zinc/74/55/19/553745519.db2.gz	GVPYTVMNMIVYIJ-INIZCTEOSA-N	1	1	373.476	2.403	20	30		FEEDMO
N#CC1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCOCC1	ZINC000312071125	553755981	/nfs/dbraw/zinc/75/59/81/553755981.db2.gz	NPEKDNGWUJPOOY-MOPGFXCFSA-N	1	1	353.466	2.287	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1C#N	ZINC000324110434	553771155	/nfs/dbraw/zinc/77/11/55/553771155.db2.gz	GDPOQGGMTOTSES-UHFFFAOYSA-N	1	1	370.478	2.158	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1C#N	ZINC000324110434	553771156	/nfs/dbraw/zinc/77/11/56/553771156.db2.gz	GDPOQGGMTOTSES-UHFFFAOYSA-N	1	1	370.478	2.158	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)C[N@H+]1C1CC1	ZINC000328604733	553795395	/nfs/dbraw/zinc/79/53/95/553795395.db2.gz	IVWBSACMMMROFU-RVKKMQEKSA-N	1	1	362.518	2.439	20	30		FEEDMO
O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N1C[C@@H]2COC[C@H](C1)O2	ZINC000328662757	553804117	/nfs/dbraw/zinc/80/41/17/553804117.db2.gz	ARZZIJIETUPIBO-KURKYZTESA-N	1	1	351.491	2.045	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1C	ZINC000328720170	553812046	/nfs/dbraw/zinc/81/20/46/553812046.db2.gz	GPQUDURWFJTFBY-ZIAGYGMSSA-N	1	1	359.474	2.012	20	30		FEEDMO
C[C@H]1CN(C(=O)Nc2nccn2-c2ccccc2)C[C@H]1[NH+]1CCOCC1	ZINC000328748870	553816296	/nfs/dbraw/zinc/81/62/96/553816296.db2.gz	PTXPCQCGOBIDMF-DOTOQJQBSA-N	1	1	355.442	2.070	20	30		FEEDMO
Cn1cc[nH+]c1N1CCN(CC(=O)N[C@H]2CCOc3ccccc32)CC1	ZINC000328823447	553827776	/nfs/dbraw/zinc/82/77/76/553827776.db2.gz	GQVPTFZROGZTRP-INIZCTEOSA-N	1	1	355.442	2.022	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1	ZINC000328961178	553853903	/nfs/dbraw/zinc/85/39/03/553853903.db2.gz	PYHNBIMUYZLFSV-GOSISDBHSA-N	1	1	364.534	2.294	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1	ZINC000506008908	561687050	/nfs/dbraw/zinc/68/70/50/561687050.db2.gz	FLEWYRXKDWFZRD-SFHVURJKSA-N	1	1	361.461	2.448	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3ccccc3c(=O)n2C)C1	ZINC000329028570	553867421	/nfs/dbraw/zinc/86/74/21/553867421.db2.gz	WKWPHPHTNOTRKG-MRXNPFEDSA-N	1	1	357.454	2.200	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCS(=O)(=O)C1	ZINC000329046787	553871478	/nfs/dbraw/zinc/87/14/78/553871478.db2.gz	VETVPUIARRSWSA-DJIMGWMZSA-N	1	1	350.484	2.288	20	30		FEEDMO
O=C(NCC[N@H+]1CC=CCC1)c1sccc1S(=O)(=O)N1CCCC1	ZINC000329097975	553880125	/nfs/dbraw/zinc/88/01/25/553880125.db2.gz	LSVDZNOSKLRZMT-UHFFFAOYSA-N	1	1	369.512	2.099	20	30		FEEDMO
O=C(NCC[N@@H+]1CC=CCC1)c1sccc1S(=O)(=O)N1CCCC1	ZINC000329097975	553880126	/nfs/dbraw/zinc/88/01/26/553880126.db2.gz	LSVDZNOSKLRZMT-UHFFFAOYSA-N	1	1	369.512	2.099	20	30		FEEDMO
Cc1c(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cnn1-c1ccc(=O)[nH]n1	ZINC000329108110	553881764	/nfs/dbraw/zinc/88/17/64/553881764.db2.gz	FMQRCNBELQCBNG-CQSZACIVSA-N	1	1	358.446	2.101	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)C1	ZINC000329134944	553887042	/nfs/dbraw/zinc/88/70/42/553887042.db2.gz	QHOAXRVWAQCGGW-XDNAFOTISA-N	1	1	367.534	2.273	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000329149587	553889487	/nfs/dbraw/zinc/88/94/87/553889487.db2.gz	QTUHSRRQPMDOKZ-ZHALLVOQSA-N	1	1	353.507	2.339	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)CC1	ZINC000329182472	553897245	/nfs/dbraw/zinc/89/72/45/553897245.db2.gz	PCBKTPDACCEJDU-UHFFFAOYSA-N	1	1	373.436	2.252	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@@]2(CCCOC2)C1	ZINC000329242193	553909298	/nfs/dbraw/zinc/90/92/98/553909298.db2.gz	SEYLNUMAERYWIV-ZMMAXQRCSA-N	1	1	353.507	2.148	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C1	ZINC000506399265	561697957	/nfs/dbraw/zinc/69/79/57/561697957.db2.gz	TVFANHYMMIVDGL-DNVCBOLYSA-N	1	1	362.433	2.448	20	30		FEEDMO
C[C@H](CNC(=O)[C@H]1CCCN1C(=O)C1CCCC1)CN1CC[NH+](C)CC1	ZINC000329297564	553920355	/nfs/dbraw/zinc/92/03/55/553920355.db2.gz	PCQSQQFXIPZNBX-SJLPKXTDSA-N	1	1	364.534	2.008	20	30		FEEDMO
CS(=O)(=O)C1(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)CCCC1	ZINC000329308665	553922328	/nfs/dbraw/zinc/92/23/28/553922328.db2.gz	QIGLZKBXRLMBJR-UHFFFAOYSA-N	1	1	371.547	2.208	20	30		FEEDMO
CC(C)N1C[C@H](NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1=O	ZINC000329324054	553925169	/nfs/dbraw/zinc/92/51/69/553925169.db2.gz	VJZJGGRTAKQXDN-ARFHVFGLSA-N	1	1	350.507	2.152	20	30		FEEDMO
CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)no1	ZINC000329322750	553925209	/nfs/dbraw/zinc/92/52/09/553925209.db2.gz	JQYAKDQZVTVBCI-KFWWJZLASA-N	1	1	363.462	2.107	20	30		FEEDMO
CC(C)[N@@H+]1CCc2nc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)sc2C1	ZINC000329357756	553931780	/nfs/dbraw/zinc/93/17/80/553931780.db2.gz	AQLNQHLFFJUEGG-NSHDSACASA-N	1	1	357.501	2.322	20	30		FEEDMO
CC(C)[N@H+]1CCc2nc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)sc2C1	ZINC000329357756	553931783	/nfs/dbraw/zinc/93/17/83/553931783.db2.gz	AQLNQHLFFJUEGG-NSHDSACASA-N	1	1	357.501	2.322	20	30		FEEDMO
CCN1CCOC[C@@H]1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000329376995	553934253	/nfs/dbraw/zinc/93/42/53/553934253.db2.gz	MACBCEMXQYCUKY-QGZVFWFLSA-N	1	1	367.534	2.477	20	30		FEEDMO
C[C@@H]1C[C@H](C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC(=O)N1	ZINC000329400748	553939439	/nfs/dbraw/zinc/93/94/39/553939439.db2.gz	BEHRFXZNOFUGLQ-PBHICJAKSA-N	1	1	372.469	2.286	20	30		FEEDMO
COCCCOc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1	ZINC000506615376	561704037	/nfs/dbraw/zinc/70/40/37/561704037.db2.gz	YJJHUHHHGYPCAK-LJQANCHMSA-N	1	1	353.422	2.290	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)[C@@H]2C1	ZINC000329423209	553943555	/nfs/dbraw/zinc/94/35/55/553943555.db2.gz	HSEWDRTZBIOOLE-CRAIPNDOSA-N	1	1	356.470	2.494	20	30		FEEDMO
CC1CCC(N2C[C@H](C(=O)NCC[NH+]3CCSCC3)CC2=O)CC1	ZINC000329434554	553946289	/nfs/dbraw/zinc/94/62/89/553946289.db2.gz	LFXSFWADUUQJCA-HWOWSKLDSA-N	1	1	353.532	2.419	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)NCC[N@@H+]1CC=C(C)CC1	ZINC000506660961	561705141	/nfs/dbraw/zinc/70/51/41/561705141.db2.gz	MGBRLYRIIBNHEZ-UHFFFAOYSA-N	1	1	357.454	2.494	20	30		FEEDMO
C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C1CCOCC1)C(=O)N1CCCCC1	ZINC000329449144	553949352	/nfs/dbraw/zinc/94/93/52/553949352.db2.gz	MMSRTAGRTBRYBA-DOTOQJQBSA-N	1	1	351.491	2.235	20	30		FEEDMO
C[C@@H]1CSCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1	ZINC000329481164	553954870	/nfs/dbraw/zinc/95/48/70/553954870.db2.gz	PLWIBYRTDURHRN-YQQAZPJKSA-N	1	1	365.547	2.402	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000506751191	561707736	/nfs/dbraw/zinc/70/77/36/561707736.db2.gz	XNALCFNIQVIIHO-DNVCBOLYSA-N	1	1	351.491	2.438	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@@H]1C	ZINC000329513490	553960615	/nfs/dbraw/zinc/96/06/15/553960615.db2.gz	LMKVFWWWXUVTOQ-DZGCQCFKSA-N	1	1	372.469	2.305	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCO[C@@]3(CCCOC3)C2)C1	ZINC000329522578	553961562	/nfs/dbraw/zinc/96/15/62/553961562.db2.gz	GEUQQQARPAYVGV-MJGOQNOKSA-N	1	1	353.507	2.150	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)[C@@]12CCCO2	ZINC000329538552	553963941	/nfs/dbraw/zinc/96/39/41/553963941.db2.gz	VOXSTBNNMPCUDA-QKLQHJQFSA-N	1	1	374.485	2.153	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)C1	ZINC000329562238	553968043	/nfs/dbraw/zinc/96/80/43/553968043.db2.gz	RRPKWORBIWHTGN-QZTJIDSGSA-N	1	1	364.534	2.213	20	30		FEEDMO
C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)NC(=O)C1CCCC1	ZINC000329573678	553970158	/nfs/dbraw/zinc/97/01/58/553970158.db2.gz	NKFJNJXNTXTDHP-BFYDXBDKSA-N	1	1	351.491	2.233	20	30		FEEDMO
O=C(Nc1ccccc1C[NH+]1CCSCC1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1	ZINC000329582034	553971361	/nfs/dbraw/zinc/97/13/61/553971361.db2.gz	VHPAIUYITAGQRD-YXJHDRRASA-N	1	1	361.511	2.484	20	30		FEEDMO
O=C(C[NH+]1CCC(c2n[nH]c(=O)[n-]2)CC1)N[C@H]1CCOc2ccccc21	ZINC000329661917	553984711	/nfs/dbraw/zinc/98/47/11/553984711.db2.gz	PEYQVPUQKKAPRT-AWEZNQCLSA-N	1	1	357.414	2.170	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)N[C@H]3CCCOC3)CC2)C[C@H](C)O1	ZINC000329691845	553990181	/nfs/dbraw/zinc/99/01/81/553990181.db2.gz	CAHCCCMQDPSTNZ-JZXOWHBKSA-N	1	1	353.507	2.291	20	30		FEEDMO
CCc1nc(CN2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cs1	ZINC000329797988	554008073	/nfs/dbraw/zinc/00/80/73/554008073.db2.gz	GDKZFBOTZYHAJT-HUUCEWRRSA-N	1	1	365.547	2.220	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)C3CCCCC3)CC2)CC[N@H+]1C	ZINC000329800658	554008649	/nfs/dbraw/zinc/00/86/49/554008649.db2.gz	IUAWODNSWYYWEQ-WBVHZDCISA-N	1	1	350.507	2.108	20	30		FEEDMO
Cc1nnc2n1C[C@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C(C)C)CC2	ZINC000329802530	554008691	/nfs/dbraw/zinc/00/86/91/554008691.db2.gz	KLNJZIOMASNZAB-BBWFWOEESA-N	1	1	360.506	2.010	20	30		FEEDMO
Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C(C)C)CC2	ZINC000329802530	554008692	/nfs/dbraw/zinc/00/86/92/554008692.db2.gz	KLNJZIOMASNZAB-BBWFWOEESA-N	1	1	360.506	2.010	20	30		FEEDMO
Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CC[C@H]3CC[C@@H](C1)[N@H+]3C(C)C)CC2	ZINC000329802530	554008693	/nfs/dbraw/zinc/00/86/93/554008693.db2.gz	KLNJZIOMASNZAB-BBWFWOEESA-N	1	1	360.506	2.010	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCOC[C@H]2C[C@H](C)O)C1	ZINC000329835370	554014836	/nfs/dbraw/zinc/01/48/36/554014836.db2.gz	HJEWQOZJKWZJAD-QFHJOOASSA-N	1	1	361.486	2.208	20	30		FEEDMO
CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CN1CCOCC1=O	ZINC000329836122	554015833	/nfs/dbraw/zinc/01/58/33/554015833.db2.gz	HRSBBYWSQGGYKB-SFHVURJKSA-N	1	1	373.497	2.275	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CSc1nnnn1C1CCCC1	ZINC000329846343	554017911	/nfs/dbraw/zinc/01/79/11/554017911.db2.gz	QRBWFCBXTMHCMJ-BXUZGUMPSA-N	1	1	350.492	2.320	20	30		FEEDMO
O=C(NCCc1cn2c(n1)SCC2)[C@H]1CCC[N@H+]1C1CCOCC1	ZINC000329865005	554021274	/nfs/dbraw/zinc/02/12/74/554021274.db2.gz	TVSJKLAOHMNOGY-OAHLLOKOSA-N	1	1	350.488	2.131	20	30		FEEDMO
C[NH+]1CCN(CCC(C)(C)NC(=O)CN2CCCCCCC2=O)CC1	ZINC000329946174	554036941	/nfs/dbraw/zinc/03/69/41/554036941.db2.gz	GEVOSMFDOODTLG-UHFFFAOYSA-N	1	1	352.523	2.152	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C12CCOCC2	ZINC000329993688	554045798	/nfs/dbraw/zinc/04/57/98/554045798.db2.gz	YPSHEXVTKUDHTC-WCXIOVBPSA-N	1	1	351.491	2.091	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1	ZINC000330018079	554050272	/nfs/dbraw/zinc/05/02/72/554050272.db2.gz	SFGGTZWHMWGTNK-RHSMWYFYSA-N	1	1	369.473	2.047	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cn([C@@H]3CCOC3)nn2)C1	ZINC000330053836	554056082	/nfs/dbraw/zinc/05/60/82/554056082.db2.gz	RAJODFRNWWFLQG-HYVNUMGLSA-N	1	1	355.442	2.380	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cn([C@@H]2CCOC2)nn1	ZINC000330078587	554060780	/nfs/dbraw/zinc/06/07/80/554060780.db2.gz	FPKGPSDJTHMLLM-NXHRZFHOSA-N	1	1	369.469	2.455	20	30		FEEDMO
C[N@@H+](CCO)C1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)CC1	ZINC000330080027	554061353	/nfs/dbraw/zinc/06/13/53/554061353.db2.gz	GGYRASMTANWZQO-KRWDZBQOSA-N	1	1	353.507	2.171	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CC[S@@](=O)C2)CC1	ZINC000330115754	554067345	/nfs/dbraw/zinc/06/73/45/554067345.db2.gz	UIDRIKZIZLEHQS-PNIPZHNDSA-N	1	1	355.548	2.398	20	30		FEEDMO
CN(C(=O)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CCCCC1	ZINC000330141001	554072150	/nfs/dbraw/zinc/07/21/50/554072150.db2.gz	PTTXVVOIRBDGDB-NVXWUHKLSA-N	1	1	350.507	2.108	20	30		FEEDMO
CN(C)C(=O)CC[NH+]1CCN(C(=O)NC[C@H]2CCCCC(F)(F)C2)CC1	ZINC000330163345	554076619	/nfs/dbraw/zinc/07/66/19/554076619.db2.gz	ASXMWEMLWXMENX-HNNXBMFYSA-N	1	1	374.476	2.212	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)N3CCO[C@@H](C4CC4)C3)CC2)nc(C)[nH+]1	ZINC000330187498	554080749	/nfs/dbraw/zinc/08/07/49/554080749.db2.gz	TUCDKRFYODVWEB-QGZVFWFLSA-N	1	1	359.474	2.087	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2cc(F)ccc2F)CC1	ZINC000330202102	554084173	/nfs/dbraw/zinc/08/41/73/554084173.db2.gz	YWOSNDFVZKXTTK-CQSZACIVSA-N	1	1	361.396	2.212	20	30		FEEDMO
CO[C@]1(C)C[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1(C)C	ZINC000330205592	554085239	/nfs/dbraw/zinc/08/52/39/554085239.db2.gz	CPBNUDCTXQAOOE-SIXWZSSISA-N	1	1	353.507	2.289	20	30		FEEDMO
CCn1cc(-c2[nH]ncc2C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cn1	ZINC000330220595	554087484	/nfs/dbraw/zinc/08/74/84/554087484.db2.gz	KYADVMOCLOXQSA-AWEZNQCLSA-N	1	1	372.473	2.099	20	30		FEEDMO
COc1cccc([C@@H](C)[NH+]2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)c1	ZINC000507716156	561738819	/nfs/dbraw/zinc/73/88/19/561738819.db2.gz	HALLHUOKBHXNEC-DYESRHJHSA-N	1	1	372.513	2.428	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1Cc2ccccc2O1	ZINC000330239577	554090996	/nfs/dbraw/zinc/09/09/96/554090996.db2.gz	DVSHCYKCIREULM-MAUKXSAKSA-N	1	1	359.470	2.089	20	30		FEEDMO
Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc3c(c2)OCC(=O)N3)CC1	ZINC000330303465	554102310	/nfs/dbraw/zinc/10/23/10/554102310.db2.gz	PFIFASDRSBTXOT-UHFFFAOYSA-N	1	1	355.398	2.374	20	30		FEEDMO
Cc1nc([C@@H]2CN(C(=O)NCC3([NH+](C)C)CCCCCC3)CCO2)n[nH]1	ZINC000330306512	554102860	/nfs/dbraw/zinc/10/28/60/554102860.db2.gz	RNNCFOSKGCLHAV-HNNXBMFYSA-N	1	1	364.494	2.055	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000330415287	554118804	/nfs/dbraw/zinc/11/88/04/554118804.db2.gz	NQPZRPIDMRXTQG-FMKPAKJESA-N	1	1	370.544	2.199	20	30		FEEDMO
CCN([C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)N(C)CCC#N	ZINC000330486403	554127728	/nfs/dbraw/zinc/12/77/28/554127728.db2.gz	DWCYZPOLLTUUDI-AEFFLSMTSA-N	1	1	364.515	2.234	20	30		FEEDMO
Cc1ccc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1S(C)(=O)=O	ZINC000330497692	554129314	/nfs/dbraw/zinc/12/93/14/554129314.db2.gz	YNNFGFZVUCAFQI-MRXNPFEDSA-N	1	1	371.528	2.162	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000330580922	554141045	/nfs/dbraw/zinc/14/10/45/554141045.db2.gz	UJPJWCWZMJMQGC-CABCVRRESA-N	1	1	367.515	2.362	20	30		FEEDMO
CSCc1cc(F)ccc1CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000330700979	554159584	/nfs/dbraw/zinc/15/95/84/554159584.db2.gz	IUHNLMNCPHKBEO-KBPBESRZSA-N	1	1	369.506	2.490	20	30		FEEDMO
COCCOc1cc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)ccc1OC	ZINC000330867731	554180923	/nfs/dbraw/zinc/18/09/23/554180923.db2.gz	ABCBDKFKRRUFIB-ZIAGYGMSSA-N	1	1	351.447	2.290	20	30		FEEDMO
CCNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1	ZINC000330899989	554185181	/nfs/dbraw/zinc/18/51/81/554185181.db2.gz	JNHYNUBGPXUUKC-UONOGXRCSA-N	1	1	353.488	2.081	20	30		FEEDMO
COC1(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CCC(C)CC1	ZINC000331055978	554207419	/nfs/dbraw/zinc/20/74/19/554207419.db2.gz	LBCNEPGDKGFCMX-WUJZJPHMSA-N	1	1	355.523	2.273	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1C#N	ZINC000331132064	554218704	/nfs/dbraw/zinc/21/87/04/554218704.db2.gz	JNWZRBBRUFLHBJ-UHFFFAOYSA-N	1	1	350.488	2.004	20	30		FEEDMO
CC[C@H](C)n1ncc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](CC)C2)c1C	ZINC000331132718	554218926	/nfs/dbraw/zinc/21/89/26/554218926.db2.gz	PHPTZCAYSAVYFP-OFQRWUPVSA-N	1	1	351.495	2.485	20	30		FEEDMO
C[C@@H]1CN(Cc2ccc(C#N)cc2OC(F)F)CC[N@H+]1CC(C)(C)O	ZINC000331284340	554241251	/nfs/dbraw/zinc/24/12/51/554241251.db2.gz	FSMGBIRECZAPKW-CYBMUJFWSA-N	1	1	353.413	2.437	20	30		FEEDMO
C=CCn1c(CCc2ccco2)nnc1N1CC[NH+](CCOC(C)C)CC1	ZINC000508816236	561773740	/nfs/dbraw/zinc/77/37/40/561773740.db2.gz	HKJDQEYWSASWIZ-UHFFFAOYSA-N	1	1	373.501	2.389	20	30		FEEDMO
C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1	ZINC000508854814	561775429	/nfs/dbraw/zinc/77/54/29/561775429.db2.gz	DWFLBXNAODTYOW-INIZCTEOSA-N	1	1	359.861	2.305	20	30		FEEDMO
C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1	ZINC000508854814	561775431	/nfs/dbraw/zinc/77/54/31/561775431.db2.gz	DWFLBXNAODTYOW-INIZCTEOSA-N	1	1	359.861	2.305	20	30		FEEDMO
N#CCN1CCC(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000331400121	554258277	/nfs/dbraw/zinc/25/82/77/554258277.db2.gz	HGBYKDKHWUCASZ-HXUWFJFHSA-N	1	1	354.498	2.250	20	30		FEEDMO
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](CCOCC)[C@H](C)C1	ZINC000509013085	561781366	/nfs/dbraw/zinc/78/13/66/561781366.db2.gz	OEHPLCSVUJNETG-GVDBMIGSSA-N	1	1	363.506	2.109	20	30		FEEDMO
C=CCn1c(-c2ccccn2)nnc1N1CC[N@@H+](CCOC)[C@H](CCC)C1	ZINC000508922558	561778365	/nfs/dbraw/zinc/77/83/65/561778365.db2.gz	QVXDNPUZHVLPKP-QGZVFWFLSA-N	1	1	370.501	2.463	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000331471810	554270354	/nfs/dbraw/zinc/27/03/54/554270354.db2.gz	IGBCGDJQMLKWSZ-ZUZCIYMTSA-N	1	1	373.400	2.338	20	30		FEEDMO
C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1	ZINC000331562906	554285884	/nfs/dbraw/zinc/28/58/84/554285884.db2.gz	UBWFNIZBKVVGDQ-GOSISDBHSA-N	1	1	356.470	2.403	20	30		FEEDMO
CC[C@](C)(C#N)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1	ZINC000509095398	561784771	/nfs/dbraw/zinc/78/47/71/561784771.db2.gz	FCSYSMVNVSNTAP-LJQANCHMSA-N	1	1	355.442	2.316	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)c1ccc(C#N)c(O)c1	ZINC000331730322	554317234	/nfs/dbraw/zinc/31/72/34/554317234.db2.gz	OXJDGZQYYDSHOS-QFBILLFUSA-N	1	1	367.453	2.152	20	30		FEEDMO
CC[NH+](CC)CCOc1ccc(CNC(=O)N=c2[nH]n(C)cc2C#N)cc1	ZINC000610563715	554529969	/nfs/dbraw/zinc/52/99/69/554529969.db2.gz	DWFNYTTZRMKEHB-UHFFFAOYSA-N	1	1	370.457	2.334	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000510680745	561843240	/nfs/dbraw/zinc/84/32/40/561843240.db2.gz	GMWBQNUJZZBMDS-GXTWGEPZSA-N	1	1	360.376	2.068	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000510680745	561843241	/nfs/dbraw/zinc/84/32/41/561843241.db2.gz	GMWBQNUJZZBMDS-GXTWGEPZSA-N	1	1	360.376	2.068	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1c[nH+]c(N(C)C)n1C	ZINC000511196074	561860852	/nfs/dbraw/zinc/86/08/52/561860852.db2.gz	BZAWVSIJFDSZKH-QGZVFWFLSA-N	1	1	355.442	2.078	20	30		FEEDMO
C=CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)C[C@H]1CCOC1	ZINC000359912234	554856601	/nfs/dbraw/zinc/85/66/01/554856601.db2.gz	YTURMLCUVVQKFN-RBUKOAKNSA-N	1	1	364.511	2.115	20	30		FEEDMO
N#Cc1ccc(OCCC[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1	ZINC000360192451	554866542	/nfs/dbraw/zinc/86/65/42/554866542.db2.gz	GSQWGYDNVJAREY-IBGZPJMESA-N	1	1	357.454	2.040	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1	ZINC000360187115	554866677	/nfs/dbraw/zinc/86/66/77/554866677.db2.gz	JNXRSPYIFCZJDD-YWZLYKJASA-N	1	1	368.481	2.442	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)CN2CC[N@@H+](CC)C[C@@H]2C)cc1	ZINC000511562995	561872478	/nfs/dbraw/zinc/87/24/78/561872478.db2.gz	AJXODEBBAVDQSH-KRWDZBQOSA-N	1	1	358.486	2.358	20	30		FEEDMO
C[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C[NH+]1CCOCC1	ZINC000362652247	554978408	/nfs/dbraw/zinc/97/84/08/554978408.db2.gz	CMTGKNFTPKWQGF-QGZVFWFLSA-N	1	1	368.481	2.325	20	30		FEEDMO
Cc1cnn(C2CC[NH+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)c1	ZINC000363001730	555007389	/nfs/dbraw/zinc/00/73/89/555007389.db2.gz	VKHSBWCPJMMHQH-SFHVURJKSA-N	1	1	363.421	2.032	20	30		FEEDMO
C=CCN(C(=O)C(=O)c1cnn(CC)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363162337	555043598	/nfs/dbraw/zinc/04/35/98/555043598.db2.gz	IVHJDNWILJUMEO-LJQANCHMSA-N	1	1	366.465	2.375	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000363390185	555093070	/nfs/dbraw/zinc/09/30/70/555093070.db2.gz	IPFXEMDCTFJKJE-KRWDZBQOSA-N	1	1	357.502	2.479	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)C1(C#N)CCCCC1	ZINC000363525072	555128389	/nfs/dbraw/zinc/12/83/89/555128389.db2.gz	KRWZAHLJSLHEEB-QGZVFWFLSA-N	1	1	360.502	2.148	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)C1(C#N)CCCCC1	ZINC000363525072	555128393	/nfs/dbraw/zinc/12/83/93/555128393.db2.gz	KRWZAHLJSLHEEB-QGZVFWFLSA-N	1	1	360.502	2.148	20	30		FEEDMO
N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1	ZINC000363944159	555219103	/nfs/dbraw/zinc/21/91/03/555219103.db2.gz	KPLVQEZAAQAZPC-IAGOWNOFSA-N	1	1	370.453	2.051	20	30		FEEDMO
CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1	ZINC000364019607	555234629	/nfs/dbraw/zinc/23/46/29/555234629.db2.gz	LWMMPZHESFAIHS-ROUUACIJSA-N	1	1	360.502	2.147	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCOC4(CCOCC4)CC3)o2)cc1	ZINC000364243427	555277162	/nfs/dbraw/zinc/27/71/62/555277162.db2.gz	SAIXRATZWSQTPU-UHFFFAOYSA-N	1	1	354.410	2.380	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3CCOC4(CCOCC4)CC3)o2)cc1	ZINC000364243427	555277163	/nfs/dbraw/zinc/27/71/63/555277163.db2.gz	SAIXRATZWSQTPU-UHFFFAOYSA-N	1	1	354.410	2.380	20	30		FEEDMO
C[C@H](CO)[N@H+]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000364898249	555429789	/nfs/dbraw/zinc/42/97/89/555429789.db2.gz	VIAGRLXLXXTOCG-OAHLLOKOSA-N	1	1	356.388	2.325	20	30		FEEDMO
C[C@@H](CO)[N@H+]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)CC1	ZINC000364935495	555442715	/nfs/dbraw/zinc/44/27/15/555442715.db2.gz	MSUIXOBIHJJUDF-KRWDZBQOSA-N	1	1	359.470	2.022	20	30		FEEDMO
C[C@@H](CO)[N@H+]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1	ZINC000365004032	555462737	/nfs/dbraw/zinc/46/27/37/555462737.db2.gz	WFIFHCAVKYLOLT-LBPRGKRZSA-N	1	1	368.384	2.080	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)[nH]1	ZINC000617589526	555470468	/nfs/dbraw/zinc/47/04/68/555470468.db2.gz	DSFGIXYKTRMFNX-INIZCTEOSA-N	1	1	370.482	2.031	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)[nH]1	ZINC000617589526	555470470	/nfs/dbraw/zinc/47/04/70/555470470.db2.gz	DSFGIXYKTRMFNX-INIZCTEOSA-N	1	1	370.482	2.031	20	30		FEEDMO
C#CCn1ccc(CN(CCOC)c2cccc(-n3cc[nH+]c3C)n2)n1	ZINC000365120082	555489954	/nfs/dbraw/zinc/48/99/54/555489954.db2.gz	FUKJFNVGDSIRJV-UHFFFAOYSA-N	1	1	350.426	2.058	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCc1cccc(C#N)c1	ZINC000365336494	555546576	/nfs/dbraw/zinc/54/65/76/555546576.db2.gz	MXYVGVVWHDININ-MNEFBYGVSA-N	1	1	356.470	2.247	20	30		FEEDMO
CC(C)(CCC#N)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000513112933	561925601	/nfs/dbraw/zinc/92/56/01/561925601.db2.gz	HMNCFNBFBVRWLY-OALUTQOASA-N	1	1	372.513	2.499	20	30		FEEDMO
CC(C)(CCC#N)CNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000513114242	561925945	/nfs/dbraw/zinc/92/59/45/561925945.db2.gz	YZWNULQRQNEQBE-FQEVSTJZSA-N	1	1	358.486	2.253	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1c(F)cc(C#N)cc1F	ZINC000365959307	555711371	/nfs/dbraw/zinc/71/13/71/555711371.db2.gz	IQTDRAAYHNYREN-IFIJOSMWSA-N	1	1	363.408	2.456	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1	ZINC000366051224	555737404	/nfs/dbraw/zinc/73/74/04/555737404.db2.gz	ADERWUPIBUSKSQ-GOSISDBHSA-N	1	1	357.454	2.040	20	30		FEEDMO
Cc1c(C#N)cccc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000513806373	561950693	/nfs/dbraw/zinc/95/06/93/561950693.db2.gz	IABQVPCZXJGGKC-FPOVZHCZSA-N	1	1	363.461	2.480	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)ccc1F	ZINC000366203498	555780821	/nfs/dbraw/zinc/78/08/21/555780821.db2.gz	KSTWGUIQKKSQMG-YLJYHZDGSA-N	1	1	367.424	2.310	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1CC[NH+]([C@H]2CCOC2)CC1	ZINC000366535558	555870794	/nfs/dbraw/zinc/87/07/94/555870794.db2.gz	RYSUGGNOFAEFRN-INIZCTEOSA-N	1	1	361.511	2.310	20	30		FEEDMO
N#CCC1(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1	ZINC000366607625	555888768	/nfs/dbraw/zinc/88/87/68/555888768.db2.gz	KIHSSFCJORLDQI-SFHVURJKSA-N	1	1	356.470	2.271	20	30		FEEDMO
N#Cc1cnc2c(Br)cccc2c1N1CC[N@@H+]2CCOC[C@@H]2C1	ZINC000366901587	555964213	/nfs/dbraw/zinc/96/42/13/555964213.db2.gz	UECTYZUXSVLHHL-ZDUSSCGKSA-N	1	1	373.254	2.390	20	30		FEEDMO
N#Cc1cnc2c(Br)cccc2c1N1CC[N@H+]2CCOC[C@@H]2C1	ZINC000366901587	555964215	/nfs/dbraw/zinc/96/42/15/555964215.db2.gz	UECTYZUXSVLHHL-ZDUSSCGKSA-N	1	1	373.254	2.390	20	30		FEEDMO
CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCc2[nH+]ccn2C1	ZINC000514812053	561981084	/nfs/dbraw/zinc/98/10/84/561981084.db2.gz	GNTHYWSCMPVLMX-SFHVURJKSA-N	1	1	367.453	2.175	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)C1	ZINC000367745431	556128599	/nfs/dbraw/zinc/12/85/99/556128599.db2.gz	FKQFJRYTIFDROC-OKILXGFUSA-N	1	1	351.472	2.282	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)CC2)c(F)c1	ZINC000368059198	556206824	/nfs/dbraw/zinc/20/68/24/556206824.db2.gz	XYKWZSXXSAVFPC-KRWDZBQOSA-N	1	1	353.401	2.120	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(C#N)cc1F	ZINC000532108384	562467192	/nfs/dbraw/zinc/46/71/92/562467192.db2.gz	OVWRRRGQJCDLPV-MJBXVCDLSA-N	1	1	353.463	2.342	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)C1(C#N)CCCCC1	ZINC000368603352	556359335	/nfs/dbraw/zinc/35/93/35/556359335.db2.gz	QSIFLBQNGPLQNJ-FQEVSTJZSA-N	1	1	359.445	2.404	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1)C1(C#N)CCCCC1	ZINC000368603352	556359338	/nfs/dbraw/zinc/35/93/38/556359338.db2.gz	QSIFLBQNGPLQNJ-FQEVSTJZSA-N	1	1	359.445	2.404	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)nn1-c1cccc(C#N)c1	ZINC000368800885	556416356	/nfs/dbraw/zinc/41/63/56/556416356.db2.gz	SWNHKEFTTJSULB-WMZOPIPTSA-N	1	1	364.453	2.610	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1CCC[N@H+]([C@H](C)CO)CC1	ZINC000368962673	556460923	/nfs/dbraw/zinc/46/09/23/556460923.db2.gz	CFUAYGRXWCHTOL-MRXNPFEDSA-N	1	1	363.527	2.292	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1Cl	ZINC000368975633	556464705	/nfs/dbraw/zinc/46/47/05/556464705.db2.gz	RSUSGORMQDKHGK-DXCKQFNASA-N	1	1	360.845	2.126	20	30		FEEDMO
Cc1nc(CO[C@H]2CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)cs1	ZINC000368998694	556472364	/nfs/dbraw/zinc/47/23/64/556472364.db2.gz	BJSFVBGORLQORR-HKUYNNGSSA-N	1	1	373.478	2.354	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[NH+]3CCC(CN4CCCC4=O)CC3)o2)cc1	ZINC000369810903	556701773	/nfs/dbraw/zinc/70/17/73/556701773.db2.gz	ZIVFXTYVLZXJFU-UHFFFAOYSA-N	1	1	365.437	2.443	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1CCN(c2ccccn2)CC1	ZINC000369899265	556724623	/nfs/dbraw/zinc/72/46/23/556724623.db2.gz	FSMAFXUKFYSPSG-UHFFFAOYSA-N	1	1	363.465	2.170	20	30		FEEDMO
CCS[C@@H]1CC[C@H]([N@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000516599260	562050102	/nfs/dbraw/zinc/05/01/02/562050102.db2.gz	ZBCOXIPBCXPWMJ-LSDHHAIUSA-N	1	1	353.513	2.333	20	30		FEEDMO
CCS[C@@H]1CC[C@H]([N@@H+](C)CCS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000516599260	562050103	/nfs/dbraw/zinc/05/01/03/562050103.db2.gz	ZBCOXIPBCXPWMJ-LSDHHAIUSA-N	1	1	353.513	2.333	20	30		FEEDMO
N#CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1	ZINC000370539493	556903149	/nfs/dbraw/zinc/90/31/49/556903149.db2.gz	MKQDJJACOZBPKU-YECZOLDGSA-N	1	1	369.465	2.362	20	30		FEEDMO
CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)COc1ccc(C#N)cc1OC	ZINC000371129172	557083203	/nfs/dbraw/zinc/08/32/03/557083203.db2.gz	MPANEHFJLLNSII-MRXNPFEDSA-N	1	1	368.437	2.396	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1	ZINC000371298313	557136289	/nfs/dbraw/zinc/13/62/89/557136289.db2.gz	UKILKKCTNPKDTN-FUHWJXTLSA-N	1	1	357.454	2.085	20	30		FEEDMO
CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1	ZINC000371298313	557136290	/nfs/dbraw/zinc/13/62/90/557136290.db2.gz	UKILKKCTNPKDTN-FUHWJXTLSA-N	1	1	357.454	2.085	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000371509419	557204872	/nfs/dbraw/zinc/20/48/72/557204872.db2.gz	OZLXJUDSAJRHFX-KRWDZBQOSA-N	1	1	371.460	2.227	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000518060056	562103508	/nfs/dbraw/zinc/10/35/08/562103508.db2.gz	LQKISTNFOFYOAT-AUUYWEPGSA-N	1	1	353.422	2.479	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000518060056	562103509	/nfs/dbraw/zinc/10/35/09/562103509.db2.gz	LQKISTNFOFYOAT-AUUYWEPGSA-N	1	1	353.422	2.479	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000371706743	557270164	/nfs/dbraw/zinc/27/01/64/557270164.db2.gz	KQQDPXWWJFFRCA-HNNXBMFYSA-N	1	1	370.432	2.831	20	30		FEEDMO
CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000371828955	557305613	/nfs/dbraw/zinc/30/56/13/557305613.db2.gz	OOIJBSIZKQUKCG-GHMZBOCLSA-N	1	1	357.439	2.176	20	30		FEEDMO
Cn1cc([C@H]2[C@@H](CNC(=O)c3c(F)cc(C#N)cc3F)CCC[N@H+]2C)cn1	ZINC000371897221	557323504	/nfs/dbraw/zinc/32/35/04/557323504.db2.gz	KMXHRTLKDPSYLC-FZKQIMNGSA-N	1	1	373.407	2.383	20	30		FEEDMO
CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1c[nH+]c2n1CCCC2	ZINC000518430648	562111407	/nfs/dbraw/zinc/11/14/07/562111407.db2.gz	WRIHNSRLOXVMPP-UHFFFAOYSA-N	1	1	367.453	2.449	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccccc2OC(F)F)nc1	ZINC000518831612	562119418	/nfs/dbraw/zinc/11/94/18/562119418.db2.gz	WJEOXLPRRIVGIJ-UHFFFAOYSA-N	1	1	367.377	2.118	20	30		FEEDMO
C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000519170072	562126533	/nfs/dbraw/zinc/12/65/33/562126533.db2.gz	IWRWCJAVNQCSRG-HNNXBMFYSA-N	1	1	360.477	2.117	20	30		FEEDMO
CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1	ZINC000372811836	557567243	/nfs/dbraw/zinc/56/72/43/557567243.db2.gz	LFDOHGCADADLOU-INIZCTEOSA-N	1	1	370.457	2.026	20	30		FEEDMO
CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1	ZINC000372811836	557567245	/nfs/dbraw/zinc/56/72/45/557567245.db2.gz	LFDOHGCADADLOU-INIZCTEOSA-N	1	1	370.457	2.026	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O	ZINC000372901535	557585114	/nfs/dbraw/zinc/58/51/14/557585114.db2.gz	GCVMCSDAZAALRY-BFUOFWGJSA-N	1	1	374.872	2.483	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)cc2C1=O	ZINC000520150847	562149699	/nfs/dbraw/zinc/14/96/99/562149699.db2.gz	QOHGKTAXGMCWCY-HNNXBMFYSA-N	1	1	369.465	2.319	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O	ZINC000374110059	557825126	/nfs/dbraw/zinc/82/51/26/557825126.db2.gz	URHXHSLMQTYVPU-KXBFYZLASA-N	1	1	359.470	2.001	20	30		FEEDMO
Cc1nccnc1N1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000374141097	557830271	/nfs/dbraw/zinc/83/02/71/557830271.db2.gz	GSZSRSCQRWLOIM-UHFFFAOYSA-N	1	1	373.464	2.379	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)cc1	ZINC000374559053	557899624	/nfs/dbraw/zinc/89/96/24/557899624.db2.gz	VLAJZHMHIYUWGV-MRXNPFEDSA-N	1	1	366.421	2.232	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)cc1	ZINC000374559053	557899625	/nfs/dbraw/zinc/89/96/25/557899625.db2.gz	VLAJZHMHIYUWGV-MRXNPFEDSA-N	1	1	366.421	2.232	20	30		FEEDMO
Cc1noc(C2(C)CC[NH+](CC(=O)N(C)C3(C#N)CCCCC3)CC2)n1	ZINC000374744485	557924124	/nfs/dbraw/zinc/92/41/24/557924124.db2.gz	RYCIFRMTNTWRFE-UHFFFAOYSA-N	1	1	359.474	2.416	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](CCCO[C@H]2CCCCO2)C[C@@]12C(=O)Nc1ccccc12	ZINC000374861788	557942481	/nfs/dbraw/zinc/94/24/81/557942481.db2.gz	IODJMUXNJYCWMA-MOXGXCLJSA-N	1	1	355.438	2.265	20	30		FEEDMO
N#C[C@@H]1C[N@H+](CCCO[C@H]2CCCCO2)C[C@@]12C(=O)Nc1ccccc12	ZINC000374861788	557942482	/nfs/dbraw/zinc/94/24/82/557942482.db2.gz	IODJMUXNJYCWMA-MOXGXCLJSA-N	1	1	355.438	2.265	20	30		FEEDMO
C=CCN(C(=O)c1c(C)nn(C)c1N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375036256	557967952	/nfs/dbraw/zinc/96/79/52/557967952.db2.gz	HZOUVQCSDPRXHG-QGZVFWFLSA-N	1	1	353.470	2.213	20	30		FEEDMO
CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(CC#N)cc1	ZINC000375263222	558000912	/nfs/dbraw/zinc/00/09/12/558000912.db2.gz	IECQNEQBNVDJKO-QFIPXVFZSA-N	1	1	363.461	2.462	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](n3cncn3)C2)c1C	ZINC000375336080	558010916	/nfs/dbraw/zinc/01/09/16/558010916.db2.gz	YWYXJPXBWFPLGF-KRWDZBQOSA-N	1	1	352.442	2.089	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](n3cncn3)C2)c1C	ZINC000375336080	558010918	/nfs/dbraw/zinc/01/09/18/558010918.db2.gz	YWYXJPXBWFPLGF-KRWDZBQOSA-N	1	1	352.442	2.089	20	30		FEEDMO
C(#CC[N@H+]1CCC[C@H](n2cccn2)C1)CN1CCC[C@H](n2cccn2)C1	ZINC000375386545	558019176	/nfs/dbraw/zinc/01/91/76/558019176.db2.gz	IQQNJXLYWCWPFO-PMACEKPBSA-N	1	1	352.486	2.057	20	30		FEEDMO
C(#CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)CN1CCC[C@@H](c2cc[nH]n2)C1	ZINC000375473795	558033680	/nfs/dbraw/zinc/03/36/80/558033680.db2.gz	OMWDKPVUBJINMF-QZTJIDSGSA-N	1	1	352.486	2.195	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2	ZINC000375707029	558070435	/nfs/dbraw/zinc/07/04/35/558070435.db2.gz	VUFVWWZGJGNVMV-UHFFFAOYSA-N	1	1	364.490	2.224	20	30		FEEDMO
N#Cc1ccc(OC2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)c(F)c1	ZINC000375749277	558076750	/nfs/dbraw/zinc/07/67/50/558076750.db2.gz	CRVDKEMCRZAWLR-UHFFFAOYSA-N	1	1	366.458	2.365	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)NCc1cccc(C#N)c1	ZINC000375790754	558079770	/nfs/dbraw/zinc/07/97/70/558079770.db2.gz	LDQNXYIMJGCBHM-RBUKOAKNSA-N	1	1	368.481	2.040	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1	ZINC000376541337	558187610	/nfs/dbraw/zinc/18/76/10/558187610.db2.gz	OSLLDOWZUGVKMN-MOPGFXCFSA-N	1	1	365.408	2.307	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1	ZINC000376541337	558187611	/nfs/dbraw/zinc/18/76/11/558187611.db2.gz	OSLLDOWZUGVKMN-MOPGFXCFSA-N	1	1	365.408	2.307	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@H+]3CCCN(c4ncccc4F)CC3)n2c1	ZINC000376624907	558199419	/nfs/dbraw/zinc/19/94/19/558199419.db2.gz	ACGQPHNVMNFPOJ-UHFFFAOYSA-N	1	1	350.401	2.452	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@@H+]3CCCN(c4ncccc4F)CC3)n2c1	ZINC000376624907	558199420	/nfs/dbraw/zinc/19/94/20/558199420.db2.gz	ACGQPHNVMNFPOJ-UHFFFAOYSA-N	1	1	350.401	2.452	20	30		FEEDMO
C=CC[N@H+](CC(=O)NCC1CCC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000521808884	562183947	/nfs/dbraw/zinc/18/39/47/562183947.db2.gz	PLGKICXSNRZHSB-OAHLLOKOSA-N	1	1	354.458	2.128	20	30		FEEDMO
C=CC[N@@H+](CC(=O)NCC1CCC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000521808884	562183948	/nfs/dbraw/zinc/18/39/48/562183948.db2.gz	PLGKICXSNRZHSB-OAHLLOKOSA-N	1	1	354.458	2.128	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](CC(N)=O)C2)c1	ZINC000377490136	558350094	/nfs/dbraw/zinc/35/00/94/558350094.db2.gz	KQOOTEAOBSILOR-SJORKVTESA-N	1	1	356.470	2.136	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(-c2ccccc2)n1	ZINC000377703777	558401302	/nfs/dbraw/zinc/40/13/02/558401302.db2.gz	QXNTYALEOREMBC-FUHWJXTLSA-N	1	1	370.478	2.083	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(-c2ccccc2)n1	ZINC000377703777	558401304	/nfs/dbraw/zinc/40/13/04/558401304.db2.gz	QXNTYALEOREMBC-FUHWJXTLSA-N	1	1	370.478	2.083	20	30		FEEDMO
N#CCCCCS(=O)(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1	ZINC000377770844	558416906	/nfs/dbraw/zinc/41/69/06/558416906.db2.gz	QWQQALBUDWGGAF-OALUTQOASA-N	1	1	361.511	2.464	20	30		FEEDMO
Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000377821382	558426573	/nfs/dbraw/zinc/42/65/73/558426573.db2.gz	NRLCYFRICZXRGN-FQEVSTJZSA-N	1	1	374.444	2.491	20	30		FEEDMO
Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000377821382	558426575	/nfs/dbraw/zinc/42/65/75/558426575.db2.gz	NRLCYFRICZXRGN-FQEVSTJZSA-N	1	1	374.444	2.491	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(c3ncccn3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000378491144	558568608	/nfs/dbraw/zinc/56/86/08/558568608.db2.gz	FRAHWJDWRVXGOV-UHFFFAOYSA-N	1	1	373.464	2.461	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000398059188	558625980	/nfs/dbraw/zinc/62/59/80/558625980.db2.gz	BGKJNXOGDPGINS-RDTXWAMCSA-N	1	1	370.478	2.203	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1C#N	ZINC000398059188	558625981	/nfs/dbraw/zinc/62/59/81/558625981.db2.gz	BGKJNXOGDPGINS-RDTXWAMCSA-N	1	1	370.478	2.203	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NC[C@H](c1ccsc1)[NH+](CC)CC	ZINC000409573970	558704422	/nfs/dbraw/zinc/70/44/22/558704422.db2.gz	CNLRCGVOOCQRJN-OAHLLOKOSA-N	1	1	358.533	2.201	20	30		FEEDMO
C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1	ZINC000409747428	558718298	/nfs/dbraw/zinc/71/82/98/558718298.db2.gz	MZVPQNLNRXQTTN-RYRKJORJSA-N	1	1	366.469	2.222	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1	ZINC000410161736	558743406	/nfs/dbraw/zinc/74/34/06/558743406.db2.gz	LYVGCVCSRQOCBA-FUHWJXTLSA-N	1	1	370.563	2.347	20	30		FEEDMO
CC[N@@H+](CCC1CCN(C(=O)C(=O)N2CCC(C#N)CC2)CC1)CC1CC1	ZINC000410435638	558757751	/nfs/dbraw/zinc/75/77/51/558757751.db2.gz	QCSPXRSLJUOWAN-UHFFFAOYSA-N	1	1	374.529	2.109	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](C2CCC2)CC1	ZINC000410714629	558802680	/nfs/dbraw/zinc/80/26/80/558802680.db2.gz	MXPVXPDNDGPOGH-UHFFFAOYSA-N	1	1	355.482	2.288	20	30		FEEDMO
C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000411141349	558844184	/nfs/dbraw/zinc/84/41/84/558844184.db2.gz	VHBMOBUYSDIKMD-INIZCTEOSA-N	1	1	371.510	2.263	20	30		FEEDMO
C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000411141349	558844185	/nfs/dbraw/zinc/84/41/85/558844185.db2.gz	VHBMOBUYSDIKMD-INIZCTEOSA-N	1	1	371.510	2.263	20	30		FEEDMO
CCOC(=O)[C@@H](CC)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000411203419	558852672	/nfs/dbraw/zinc/85/26/72/558852672.db2.gz	ZAKLUQCNSYGZIA-SFHVURJKSA-N	1	1	357.454	2.182	20	30		FEEDMO
C=CC[N@H+](CC1CCCCC1)[C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1	ZINC000411264123	558863353	/nfs/dbraw/zinc/86/33/53/558863353.db2.gz	UVSFDNFTGJPTSE-FUHWJXTLSA-N	1	1	370.559	2.479	20	30		FEEDMO
C=CC[N@@H+](CC1CCCCC1)[C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1	ZINC000411264123	558863354	/nfs/dbraw/zinc/86/33/54/558863354.db2.gz	UVSFDNFTGJPTSE-FUHWJXTLSA-N	1	1	370.559	2.479	20	30		FEEDMO
C[C@@H](c1ccc(NC(=O)C(=O)NCC(C)(C)CC#N)cc1)[NH+]1CCOCC1	ZINC000411643361	558934660	/nfs/dbraw/zinc/93/46/60/558934660.db2.gz	IWDZDSDVACBSPP-HNNXBMFYSA-N	1	1	372.469	2.074	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)CC(=O)N1CCc2[nH]c3ccccc3c2C1	ZINC000411648119	558935546	/nfs/dbraw/zinc/93/55/46/558935546.db2.gz	ZKGYCYAQCGMPFD-UHFFFAOYSA-N	1	1	354.498	2.492	20	30		FEEDMO
CN(C)C(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000411935879	558991126	/nfs/dbraw/zinc/99/11/26/558991126.db2.gz	LCABHTDAHAGURO-CYBMUJFWSA-N	1	1	374.510	2.237	20	30		FEEDMO
C[C@@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000411982937	558998974	/nfs/dbraw/zinc/99/89/74/558998974.db2.gz	KYEVVRSHMZQCIT-GOSISDBHSA-N	1	1	362.477	2.381	20	30		FEEDMO
COC(=O)[C@@H]1CSCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000412086035	559011556	/nfs/dbraw/zinc/01/15/56/559011556.db2.gz	UXRNTQIIQFNCOD-KRWDZBQOSA-N	1	1	370.478	2.297	20	30		FEEDMO
C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000412100077	559013471	/nfs/dbraw/zinc/01/34/71/559013471.db2.gz	XEOJJCXTJBIWEJ-GDBMZVCRSA-N	1	1	368.399	2.266	20	30		FEEDMO
CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)N1CC[NH+](C)CC1	ZINC000412145366	559016795	/nfs/dbraw/zinc/01/67/95/559016795.db2.gz	INXUGSHWFXHZKJ-ZCNNSNEGSA-N	1	1	354.498	2.050	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)o1	ZINC000526029620	562264457	/nfs/dbraw/zinc/26/44/57/562264457.db2.gz	JQTMQNVHZYHLDR-KRWDZBQOSA-N	1	1	373.501	2.308	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)o1	ZINC000412650765	559048552	/nfs/dbraw/zinc/04/85/52/559048552.db2.gz	BQPSEIZTJWVCKI-VQIMIIECSA-N	1	1	353.422	2.418	20	30		FEEDMO
CCCNC(=O)C[NH+]1CCC(Nc2cc(C(F)(F)F)cnc2C#N)CC1	ZINC000413088200	559076649	/nfs/dbraw/zinc/07/66/49/559076649.db2.gz	FTPWTHSJEIEZHW-UHFFFAOYSA-N	1	1	369.391	2.375	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1	ZINC000413257938	559092847	/nfs/dbraw/zinc/09/28/47/559092847.db2.gz	GJSIIECMFFUDEP-LJQANCHMSA-N	1	1	372.513	2.026	20	30		FEEDMO
COC(=O)[C@H]1CN(C(=O)c2sc3ccc(C#N)cc3c2C)CC[N@H+](C)C1	ZINC000413894494	559137804	/nfs/dbraw/zinc/13/78/04/559137804.db2.gz	OLPQDOMONPWYCQ-CQSZACIVSA-N	1	1	371.462	2.258	20	30		FEEDMO
COC(=O)[C@H]1CN(C(=O)c2sc3ccc(C#N)cc3c2C)CC[N@@H+](C)C1	ZINC000413894494	559137805	/nfs/dbraw/zinc/13/78/05/559137805.db2.gz	OLPQDOMONPWYCQ-CQSZACIVSA-N	1	1	371.462	2.258	20	30		FEEDMO
C[C@@H]1[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)CCC[N@@H+]1C	ZINC000416458251	559314456	/nfs/dbraw/zinc/31/44/56/559314456.db2.gz	QDBIUSQHBZVGLY-MFKMUULPSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[C@@H]1[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)CCC[N@H+]1C	ZINC000416458251	559314457	/nfs/dbraw/zinc/31/44/57/559314457.db2.gz	QDBIUSQHBZVGLY-MFKMUULPSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000416462663	559314827	/nfs/dbraw/zinc/31/48/27/559314827.db2.gz	RSACYECSLOZDKO-SFHVURJKSA-N	1	1	365.433	2.315	20	30		FEEDMO
C[C@@]1(F)C[NH2+]CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000416942133	559339580	/nfs/dbraw/zinc/33/95/80/559339580.db2.gz	IUFNJFAUHGDJTJ-MRXNPFEDSA-N	1	1	357.351	2.400	20	30		FEEDMO
COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)NCCc1cccc(C#N)c1	ZINC000418155453	559392198	/nfs/dbraw/zinc/39/21/98/559392198.db2.gz	ZHBAMRXWAITZOL-LJQANCHMSA-N	1	1	364.449	2.465	20	30		FEEDMO
COc1c(C)c[nH+]c(CN2CCC(N(C)c3cncc(C#N)n3)CC2)c1C	ZINC000420582881	559492811	/nfs/dbraw/zinc/49/28/11/559492811.db2.gz	JZOQEHXENLJDAV-UHFFFAOYSA-N	1	1	366.469	2.470	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000420742498	559501773	/nfs/dbraw/zinc/50/17/73/559501773.db2.gz	VEQHTCVPZTWYLP-GFCCVEGCSA-N	1	1	372.288	2.035	20	30		FEEDMO
CNC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1	ZINC000420980495	559516950	/nfs/dbraw/zinc/51/69/50/559516950.db2.gz	USMIHXKBWHNSJS-QWHCGFSZSA-N	1	1	374.510	2.141	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C#N)cn1CC	ZINC000421164268	559527995	/nfs/dbraw/zinc/52/79/95/559527995.db2.gz	KHHDXWCRFXLVTB-HUUCEWRRSA-N	1	1	373.457	2.305	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c(C#N)cn1CC	ZINC000421176718	559528983	/nfs/dbraw/zinc/52/89/83/559528983.db2.gz	SVKUMCZOJYJEON-OLZOCXBDSA-N	1	1	361.446	2.113	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(C#N)cn1CC	ZINC000421176720	559529001	/nfs/dbraw/zinc/52/90/01/559529001.db2.gz	SVKUMCZOJYJEON-STQMWFEESA-N	1	1	361.446	2.113	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C	ZINC000421292470	559536430	/nfs/dbraw/zinc/53/64/30/559536430.db2.gz	BEKPNSDMPUBPMP-GJZGRUSLSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000527295465	562284156	/nfs/dbraw/zinc/28/41/56/562284156.db2.gz	HYIOVDGRNJUEEC-KRWDZBQOSA-N	1	1	365.481	2.017	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000421710880	559550405	/nfs/dbraw/zinc/55/04/05/559550405.db2.gz	MTSPDYXYEPPZRP-ZBFHGGJFSA-N	1	1	374.872	2.117	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1)OCC	ZINC000422021411	559561078	/nfs/dbraw/zinc/56/10/78/559561078.db2.gz	NKAJNQKPSICVJX-IBGZPJMESA-N	1	1	351.535	2.376	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1)OCC	ZINC000422021411	559561079	/nfs/dbraw/zinc/56/10/79/559561079.db2.gz	NKAJNQKPSICVJX-IBGZPJMESA-N	1	1	351.535	2.376	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000422523948	559592854	/nfs/dbraw/zinc/59/28/54/559592854.db2.gz	DVAJCFZDFCWLJV-XUVXKRRUSA-N	1	1	369.509	2.233	20	30		FEEDMO
C=CCCn1cc(C(=O)N(Cc2ccncc2)C[C@H]2CCC[N@@H+]2CC)nn1	ZINC000424665171	559673039	/nfs/dbraw/zinc/67/30/39/559673039.db2.gz	NFYBHAQLFHDQSG-GOSISDBHSA-N	1	1	368.485	2.376	20	30		FEEDMO
N#Cc1cccc([N+](=O)[O-])c1NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000425223471	559692238	/nfs/dbraw/zinc/69/22/38/559692238.db2.gz	MQXNLPHLDREFCG-UHFFFAOYSA-N	1	1	366.425	2.486	20	30		FEEDMO
CC(C)(C)N1CC[C@H]([N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000425384560	559699286	/nfs/dbraw/zinc/69/92/86/559699286.db2.gz	MARWGRDYDRGJOA-IBGZPJMESA-N	1	1	354.498	2.465	20	30		FEEDMO
CC(C)(C)N1CC[C@H](N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000425384560	559699287	/nfs/dbraw/zinc/69/92/87/559699287.db2.gz	MARWGRDYDRGJOA-IBGZPJMESA-N	1	1	354.498	2.465	20	30		FEEDMO
CC(C)(C)N1CC[C@H](N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1=O	ZINC000425384560	559699288	/nfs/dbraw/zinc/69/92/88/559699288.db2.gz	MARWGRDYDRGJOA-IBGZPJMESA-N	1	1	354.498	2.465	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1	ZINC000425387174	559699454	/nfs/dbraw/zinc/69/94/54/559699454.db2.gz	QMHFQFJSHDFOFT-OAHLLOKOSA-N	1	1	367.453	2.131	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000425526259	559707885	/nfs/dbraw/zinc/70/78/85/559707885.db2.gz	JLAMVCWZXAYMRQ-INIZCTEOSA-N	1	1	357.502	2.287	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nn1	ZINC000425567396	559710109	/nfs/dbraw/zinc/71/01/09/559710109.db2.gz	SJSXUDJXARFZRW-PBHICJAKSA-N	1	1	374.514	2.408	20	30		FEEDMO
CC[N@H+](CCNC(=O)C(=O)Nc1cccc(C)c1C#N)CCC(F)(F)F	ZINC000426459489	559734838	/nfs/dbraw/zinc/73/48/38/559734838.db2.gz	KUUJYKWTOLRSDW-UHFFFAOYSA-N	1	1	370.375	2.196	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1cccc(C)c1C#N)CCC(F)(F)F	ZINC000426459489	559734839	/nfs/dbraw/zinc/73/48/39/559734839.db2.gz	KUUJYKWTOLRSDW-UHFFFAOYSA-N	1	1	370.375	2.196	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(Cc3cccc(F)c3C#N)CC2)CC1	ZINC000428240585	559772053	/nfs/dbraw/zinc/77/20/53/559772053.db2.gz	CFNBAPDXNVITKI-UHFFFAOYSA-N	1	1	372.488	2.464	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1	ZINC000429020514	559788789	/nfs/dbraw/zinc/78/87/89/559788789.db2.gz	LTQBLTVWHRNOFW-OAHLLOKOSA-N	1	1	371.250	2.412	20	30		FEEDMO
C=CCCOCCNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000428975790	559787171	/nfs/dbraw/zinc/78/71/71/559787171.db2.gz	ISWIYVVTOZFBCE-GOSISDBHSA-N	1	1	363.527	2.496	20	30		FEEDMO
C=CCCOCCNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000428975790	559787172	/nfs/dbraw/zinc/78/71/72/559787172.db2.gz	ISWIYVVTOZFBCE-GOSISDBHSA-N	1	1	363.527	2.496	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)Cc1ccc(S(=O)(=O)N2CCCC2)o1	ZINC000429711569	559804421	/nfs/dbraw/zinc/80/44/21/559804421.db2.gz	FRUAYJKVOACABI-UHFFFAOYSA-N	1	1	355.504	2.004	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)NCC2(CC#N)CC2)[C@H](c2ccccc2)C1	ZINC000430178152	559814783	/nfs/dbraw/zinc/81/47/83/559814783.db2.gz	NWTXFMSBUPNARQ-IBGZPJMESA-N	1	1	369.513	2.358	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)NCC2(CC#N)CC2)[C@H](c2ccccc2)C1	ZINC000430178152	559814784	/nfs/dbraw/zinc/81/47/84/559814784.db2.gz	NWTXFMSBUPNARQ-IBGZPJMESA-N	1	1	369.513	2.358	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)NCC2(CC#N)CC2)[C@H](c2ccccc2)C1	ZINC000430178152	559814785	/nfs/dbraw/zinc/81/47/85/559814785.db2.gz	NWTXFMSBUPNARQ-IBGZPJMESA-N	1	1	369.513	2.358	20	30		FEEDMO
C[N@@H+](CCc1cccc(NC(=O)C(=O)NCC2(CC#N)CC2)c1)C1CC1	ZINC000430387319	559819224	/nfs/dbraw/zinc/81/92/24/559819224.db2.gz	UNWWSTXBUNSWEZ-UHFFFAOYSA-N	1	1	354.454	2.072	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1	ZINC000430544645	559822051	/nfs/dbraw/zinc/82/20/51/559822051.db2.gz	UBLSJCGCSZSMHA-QGZVFWFLSA-N	1	1	373.497	2.313	20	30		FEEDMO
C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1	ZINC000432186243	559853751	/nfs/dbraw/zinc/85/37/51/559853751.db2.gz	ARQDQKJEGAYJBY-UHFFFAOYSA-N	1	1	357.801	2.359	20	30		FEEDMO
COCC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCCSC1	ZINC000433193390	559873088	/nfs/dbraw/zinc/87/30/88/559873088.db2.gz	QCOYCDGUIQMXPC-SJORKVTESA-N	1	1	350.484	2.142	20	30		FEEDMO
C[C@@H](C[NH+]1CCOCC1)N(C)Cc1ccc(C#N)cc1Br	ZINC000434712439	559907249	/nfs/dbraw/zinc/90/72/49/559907249.db2.gz	BXIRTCHOQRKVGP-ZDUSSCGKSA-N	1	1	352.276	2.473	20	30		FEEDMO
CC[C@H]1CN(C(=O)C2(c3cccc(C#N)c3)CC2)C[C@H]1[NH+]1CCOCC1	ZINC000435090249	559915976	/nfs/dbraw/zinc/91/59/76/559915976.db2.gz	ACBHZVJKZYHPOP-PKOBYXMFSA-N	1	1	353.466	2.159	20	30		FEEDMO
N#Cc1cc(F)ccc1NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000435150862	559917171	/nfs/dbraw/zinc/91/71/71/559917171.db2.gz	UPPOZWDUEVVORG-HXUWFJFHSA-N	1	1	368.412	2.456	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)Nc1ccccc1CC[NH+](C)C	ZINC000438236554	559976114	/nfs/dbraw/zinc/97/61/14/559976114.db2.gz	YDACBFGJPOJJCB-UHFFFAOYSA-N	1	1	359.451	2.472	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C	ZINC000439429419	559993696	/nfs/dbraw/zinc/99/36/96/559993696.db2.gz	FJXOMXYOWJBYOO-KRWDZBQOSA-N	1	1	356.470	2.432	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1)C1(C#N)CCCCC1	ZINC000444727355	560118976	/nfs/dbraw/zinc/11/89/76/560118976.db2.gz	DNCMVZDHZXCCTO-DZGCQCFKSA-N	1	1	361.408	2.306	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1)C1(C#N)CCCCC1	ZINC000444727355	560118977	/nfs/dbraw/zinc/11/89/77/560118977.db2.gz	DNCMVZDHZXCCTO-DZGCQCFKSA-N	1	1	361.408	2.306	20	30		FEEDMO
Cc1cc(NC(=O)CC[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)no1	ZINC000444784854	560120645	/nfs/dbraw/zinc/12/06/45/560120645.db2.gz	PDERWKFCVCZYRB-UHFFFAOYSA-N	1	1	373.844	2.659	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000448601769	560192106	/nfs/dbraw/zinc/19/21/06/560192106.db2.gz	XESFSEONGHBVGX-ZBFHGGJFSA-N	1	1	374.872	2.165	20	30		FEEDMO
CN(C)c1[nH+]cc(CNC(=O)c2cccc(C#N)c2Br)n1C	ZINC000448972069	560209542	/nfs/dbraw/zinc/20/95/42/560209542.db2.gz	RAWPCBJVWPAPPY-UHFFFAOYSA-N	1	1	362.231	2.050	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2C[C@H](C(=O)OCC)C3(COC3)C2)cc1OC	ZINC000449358592	560226755	/nfs/dbraw/zinc/22/67/55/560226755.db2.gz	FWMCECAUAVZGDZ-MRXNPFEDSA-N	1	1	361.438	2.272	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@H+]3CCOC[C@H]3CC(N)=O)c2)c1	ZINC000449768206	560239629	/nfs/dbraw/zinc/23/96/29/560239629.db2.gz	FLNKBAGQHZDRIF-LJQANCHMSA-N	1	1	365.433	2.213	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@@H+]3CCOC[C@H]3CC(N)=O)c2)c1	ZINC000449768206	560239630	/nfs/dbraw/zinc/23/96/30/560239630.db2.gz	FLNKBAGQHZDRIF-LJQANCHMSA-N	1	1	365.433	2.213	20	30		FEEDMO
N#Cc1cnc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1	ZINC000450249689	560255707	/nfs/dbraw/zinc/25/57/07/560255707.db2.gz	BQPSDXXYMNJIDZ-UHFFFAOYSA-N	1	1	370.388	2.235	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)[N@H+]1CCCC[C@@H]1C	ZINC000451046870	560284525	/nfs/dbraw/zinc/28/45/25/560284525.db2.gz	AFJSHYWHXVGVJZ-UONOGXRCSA-N	1	1	353.463	2.380	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1)C1(C#N)CCCCC1	ZINC000451214248	560293490	/nfs/dbraw/zinc/29/34/90/560293490.db2.gz	VSYKRQYYOWUZQU-MRXNPFEDSA-N	1	1	362.518	2.285	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1	ZINC000451214421	560293617	/nfs/dbraw/zinc/29/36/17/560293617.db2.gz	WKJTXVIOSJVEOO-VCBZYWHSSA-N	1	1	350.507	2.043	20	30		FEEDMO
CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@@H+]1C	ZINC000451460391	560308289	/nfs/dbraw/zinc/30/82/89/560308289.db2.gz	RKWRWBJRWHONJM-HNNXBMFYSA-N	1	1	355.891	2.367	20	30		FEEDMO
CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC[N@H+]1C	ZINC000451460391	560308290	/nfs/dbraw/zinc/30/82/90/560308290.db2.gz	RKWRWBJRWHONJM-HNNXBMFYSA-N	1	1	355.891	2.367	20	30		FEEDMO
C[C@@H]1CN(Cc2ccc(C#N)cc2Br)C[C@H](C)[N@@H+]1CCO	ZINC000451660788	560320470	/nfs/dbraw/zinc/32/04/70/560320470.db2.gz	GWLNSGILHDXYQL-BETUJISGSA-N	1	1	352.276	2.208	20	30		FEEDMO
COC[C@]1(CO)CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000451925641	560337985	/nfs/dbraw/zinc/33/79/85/560337985.db2.gz	GHZCIPRHFGYTQI-GHTZIAJQSA-N	1	1	373.497	2.269	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@H](CCCO)C1	ZINC000452127271	560353046	/nfs/dbraw/zinc/35/30/46/560353046.db2.gz	KZXPGAAAULBHPV-DLBZAZTESA-N	1	1	359.470	2.425	20	30		FEEDMO
C=CCn1c([C@@H]2CCCO2)nnc1N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000453427206	560386452	/nfs/dbraw/zinc/38/64/52/560386452.db2.gz	VLKJHVIXGVLLQW-INIZCTEOSA-N	1	1	363.506	2.110	20	30		FEEDMO
C=CCn1c(N2CC[N@@H+](CCOC)[C@@H](CC)C2)nnc1[C@@]1(C)CCCO1	ZINC000453447459	560386772	/nfs/dbraw/zinc/38/67/72/560386772.db2.gz	XKGSDNSPDAHQHT-QFBILLFUSA-N	1	1	363.506	2.037	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1	ZINC000453587695	560389922	/nfs/dbraw/zinc/38/99/22/560389922.db2.gz	BUUALQYITFMWLW-IYBDPMFKSA-N	1	1	356.470	2.289	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1	ZINC000454567106	560449852	/nfs/dbraw/zinc/44/98/52/560449852.db2.gz	AQZCMFYSFGJLMR-GASCZTMLSA-N	1	1	360.458	2.264	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1	ZINC000454567106	560449853	/nfs/dbraw/zinc/44/98/53/560449853.db2.gz	AQZCMFYSFGJLMR-GASCZTMLSA-N	1	1	360.458	2.264	20	30		FEEDMO
CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCCOCC1	ZINC000454999942	560466837	/nfs/dbraw/zinc/46/68/37/560466837.db2.gz	MLIKZHDKCGRTPU-UHFFFAOYSA-N	1	1	358.486	2.448	20	30		FEEDMO
CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@H+]1CCC[C@H]1CO	ZINC000455980056	560503137	/nfs/dbraw/zinc/50/31/37/560503137.db2.gz	CATNDIABZVJVNU-IBGZPJMESA-N	1	1	357.498	2.480	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)C[C@H](C)[N@@H+]1CCO	ZINC000456235133	560512889	/nfs/dbraw/zinc/51/28/89/560512889.db2.gz	HMLIOAUXYPJFLL-CALCHBBNSA-N	1	1	368.481	2.472	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)cc1	ZINC000458773676	560647514	/nfs/dbraw/zinc/64/75/14/560647514.db2.gz	NWDALXDBWCQAGO-UHFFFAOYSA-N	1	1	374.529	2.467	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@@](O)(CO)C3)c2)c1	ZINC000459665826	560701002	/nfs/dbraw/zinc/70/10/02/560701002.db2.gz	BRHYJWNOWLUVHA-NRFANRHFSA-N	1	1	352.434	2.456	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000459821146	560710786	/nfs/dbraw/zinc/71/07/86/560710786.db2.gz	KKOJUODXGPCHAK-WOJBJXKFSA-N	1	1	369.509	2.392	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000459870545	560715147	/nfs/dbraw/zinc/71/51/47/560715147.db2.gz	DPXUOCCRWWJHOS-UHFFFAOYSA-N	1	1	351.450	2.128	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1	ZINC000459995879	560727294	/nfs/dbraw/zinc/72/72/94/560727294.db2.gz	OPBVCDNNBQSSLG-HXUWFJFHSA-N	1	1	369.509	2.392	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCCNS(=O)(=O)CC2(C#N)CCCCC2)C[C@H](C)O1	ZINC000460475279	560744296	/nfs/dbraw/zinc/74/42/96/560744296.db2.gz	YKPCEZCGZRUMQM-CALCHBBNSA-N	1	1	371.547	2.269	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCCNS(=O)(=O)CC2(C#N)CCCCC2)C[C@H](C)O1	ZINC000460475279	560744297	/nfs/dbraw/zinc/74/42/97/560744297.db2.gz	YKPCEZCGZRUMQM-CALCHBBNSA-N	1	1	371.547	2.269	20	30		FEEDMO
C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1	ZINC000460960199	560757179	/nfs/dbraw/zinc/75/71/79/560757179.db2.gz	QTCQFMMFJFNTTA-SFHVURJKSA-N	1	1	369.517	2.389	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@H](c2ccccc2)C1	ZINC000461961462	560789878	/nfs/dbraw/zinc/78/98/78/560789878.db2.gz	VASUFVRJIHYORT-AQNXPRMDSA-N	1	1	369.513	2.357	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@H](c2ccccc2)C1	ZINC000461961462	560789879	/nfs/dbraw/zinc/78/98/79/560789879.db2.gz	VASUFVRJIHYORT-AQNXPRMDSA-N	1	1	369.513	2.357	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@H](c2ccccc2)C1	ZINC000461961462	560789880	/nfs/dbraw/zinc/78/98/80/560789880.db2.gz	VASUFVRJIHYORT-AQNXPRMDSA-N	1	1	369.513	2.357	20	30		FEEDMO
C[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1cccc(C#N)c1	ZINC000462046626	560794072	/nfs/dbraw/zinc/79/40/72/560794072.db2.gz	KQBXXKRWSZYDIM-YLJYHZDGSA-N	1	1	354.498	2.290	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CC(C)C	ZINC000464209443	560836179	/nfs/dbraw/zinc/83/61/79/560836179.db2.gz	VZHJLOIXKSJKEL-MRXNPFEDSA-N	1	1	365.499	2.356	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1	ZINC000464797097	560851303	/nfs/dbraw/zinc/85/13/03/560851303.db2.gz	WFODODUPECWEKQ-SGTLLEGYSA-N	1	1	360.845	2.141	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1	ZINC000464797097	560851304	/nfs/dbraw/zinc/85/13/04/560851304.db2.gz	WFODODUPECWEKQ-SGTLLEGYSA-N	1	1	360.845	2.141	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000467059687	560902631	/nfs/dbraw/zinc/90/26/31/560902631.db2.gz	VNSPNBDZNUNWOD-DYVFJYSZSA-N	1	1	354.454	2.025	20	30		FEEDMO
C=C[C@H](C)NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1	ZINC000467228702	560906927	/nfs/dbraw/zinc/90/69/27/560906927.db2.gz	IECUGRKSRYFHSM-JTQLQIEISA-N	1	1	354.248	2.140	20	30		FEEDMO
CN(CC[N@H+](C)Cc1ccc(F)cc1)S(=O)(=O)c1cccc(C#N)c1	ZINC000468495225	560931651	/nfs/dbraw/zinc/93/16/51/560931651.db2.gz	BKXLZMIPSDQPBM-UHFFFAOYSA-N	1	1	361.442	2.450	20	30		FEEDMO
CN(CC[N@@H+](C)Cc1ccc(F)cc1)S(=O)(=O)c1cccc(C#N)c1	ZINC000468495225	560931652	/nfs/dbraw/zinc/93/16/52/560931652.db2.gz	BKXLZMIPSDQPBM-UHFFFAOYSA-N	1	1	361.442	2.450	20	30		FEEDMO
COc1cccc([C@@H](C)[NH+]2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c1	ZINC000469586583	560959090	/nfs/dbraw/zinc/95/90/90/560959090.db2.gz	HNQSQVMMYORQGS-SJORKVTESA-N	1	1	370.497	2.325	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1	ZINC000469749182	560963605	/nfs/dbraw/zinc/96/36/05/560963605.db2.gz	SELQVKJUHDOKLS-LBPRGKRZSA-N	1	1	373.375	2.416	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)cc1	ZINC000469846672	560966414	/nfs/dbraw/zinc/96/64/14/560966414.db2.gz	NXGMIEANQVZNFF-QAPCUYQASA-N	1	1	373.453	2.215	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)cc1	ZINC000469846672	560966415	/nfs/dbraw/zinc/96/64/15/560966415.db2.gz	NXGMIEANQVZNFF-QAPCUYQASA-N	1	1	373.453	2.215	20	30		FEEDMO
C[C@@H](CN1CCOCC1)[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471013660	560996398	/nfs/dbraw/zinc/99/63/98/560996398.db2.gz	GEUDFVCUQGFCHD-QFBILLFUSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@@H](C[NH+]1CCOCC1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471013660	560996399	/nfs/dbraw/zinc/99/63/99/560996399.db2.gz	GEUDFVCUQGFCHD-QFBILLFUSA-N	1	1	362.905	2.243	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)c1C#N	ZINC000472149301	561019480	/nfs/dbraw/zinc/01/94/80/561019480.db2.gz	CKOVCYRAAGRTFS-UHFFFAOYSA-N	1	1	364.453	2.063	20	30		FEEDMO
COCC[N@@H+](C)CC[C@@H](NC(=O)c1ccnc(C#N)c1)c1ccccc1	ZINC000475669948	561101849	/nfs/dbraw/zinc/10/18/49/561101849.db2.gz	TUHNRFWDZKKUQN-LJQANCHMSA-N	1	1	352.438	2.393	20	30		FEEDMO
C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cnn(C)c3C#N)c2)C[C@@H](C)O1	ZINC000476095904	561111176	/nfs/dbraw/zinc/11/11/76/561111176.db2.gz	PUIZAKUGWQPBEA-ZIAGYGMSSA-N	1	1	353.426	2.153	20	30		FEEDMO
COc1cc[nH]c(=O)c1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000477203605	561139293	/nfs/dbraw/zinc/13/92/93/561139293.db2.gz	NROBKPSTGMASNY-UHFFFAOYSA-N	1	1	366.421	2.016	20	30		FEEDMO
N#Cc1ccc(CC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cn1	ZINC000528123231	562315097	/nfs/dbraw/zinc/31/50/97/562315097.db2.gz	YTHGTTWCZOFUQH-UHFFFAOYSA-N	1	1	350.422	2.009	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12	ZINC000528454153	562330234	/nfs/dbraw/zinc/33/02/34/562330234.db2.gz	YCEDCTMVCRDLJK-NQIIRXRSSA-N	1	1	350.418	2.429	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2ccc(COC)c(C#N)c2)C[C@@H]1[NH+]1CCOCC1	ZINC000529213633	562365122	/nfs/dbraw/zinc/36/51/22/562365122.db2.gz	TWCISGZXYRJKNM-BEFAXECRSA-N	1	1	372.469	2.279	20	30		FEEDMO
N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cc[nH+]c2C2CC2)CC1	ZINC000530130828	562398999	/nfs/dbraw/zinc/39/89/99/562398999.db2.gz	YXSPPZYYVSGYTQ-SFHVURJKSA-N	1	1	367.428	2.309	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[N@H+](C)C[C@@H]2C)c1C#N	ZINC000532578980	562482158	/nfs/dbraw/zinc/48/21/58/562482158.db2.gz	KJWHMVXZGKXHRZ-AWEZNQCLSA-N	1	1	369.469	2.192	20	30		FEEDMO
CC(C)(C)c1nc(CN2CC[NH+](CCOc3ccc(C#N)cc3)CC2)no1	ZINC000533056818	562496993	/nfs/dbraw/zinc/49/69/93/562496993.db2.gz	GXHNNMGWHROAAO-UHFFFAOYSA-N	1	1	369.469	2.435	20	30		FEEDMO
C=CC[N@H+](CC(=O)c1cccn1C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000533281089	562503633	/nfs/dbraw/zinc/50/36/33/562503633.db2.gz	JQFSSJNZAZGMED-OAHLLOKOSA-N	1	1	350.426	2.433	20	30		FEEDMO
C=CC[N@@H+](CC(=O)c1cccn1C)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000533281089	562503634	/nfs/dbraw/zinc/50/36/34/562503634.db2.gz	JQFSSJNZAZGMED-OAHLLOKOSA-N	1	1	350.426	2.433	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1	ZINC000533304159	562504545	/nfs/dbraw/zinc/50/45/45/562504545.db2.gz	UGGSYJZZOYNLLE-LSDHHAIUSA-N	1	1	374.510	2.335	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C1	ZINC000533304159	562504546	/nfs/dbraw/zinc/50/45/46/562504546.db2.gz	UGGSYJZZOYNLLE-LSDHHAIUSA-N	1	1	374.510	2.335	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1	ZINC000533471298	562510032	/nfs/dbraw/zinc/51/00/32/562510032.db2.gz	PEJIWYDRCXSZIK-ZDUSSCGKSA-N	1	1	358.467	2.488	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1	ZINC000533471298	562510033	/nfs/dbraw/zinc/51/00/33/562510033.db2.gz	PEJIWYDRCXSZIK-ZDUSSCGKSA-N	1	1	358.467	2.488	20	30		FEEDMO
C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1	ZINC000541243872	562607151	/nfs/dbraw/zinc/60/71/51/562607151.db2.gz	UOWGYBXOHVEDOF-LBPRGKRZSA-N	1	1	371.359	2.406	20	30		FEEDMO
Cc1nc(-c2nc(-c3ccc(N4CC[NH+](C)CC4)nc3)no2)ccc1C#N	ZINC000546309736	562635914	/nfs/dbraw/zinc/63/59/14/562635914.db2.gz	FWLVDYXDKYGUDC-UHFFFAOYSA-N	1	1	361.409	2.126	20	30		FEEDMO
N#CC1(C[C@H](O)C[NH+]2CC(OCCCc3ccccc3)C2)CCOCC1	ZINC000601960339	567887018	/nfs/dbraw/zinc/88/70/18/567887018.db2.gz	VARKEGJTUYKBQX-IBGZPJMESA-N	1	1	358.482	2.391	20	30		FEEDMO
CN(CCC#N)C[C@@H](O)C[NH+]1CC(Cc2ccccc2Br)C1	ZINC000601966331	567889161	/nfs/dbraw/zinc/88/91/61/567889161.db2.gz	ZUFCTFVOOUQDNK-MRXNPFEDSA-N	1	1	366.303	2.130	20	30		FEEDMO
CCC(C#N)(CC)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000602247769	567959445	/nfs/dbraw/zinc/95/94/45/567959445.db2.gz	CCFYMESAAFTUAW-UHFFFAOYSA-N	1	1	372.469	2.351	20	30		FEEDMO
C[C@H](CC1(C#N)CCOCC1)[NH2+]CCN1CCN(Cc2ccccc2)CC1	ZINC000602499175	567983747	/nfs/dbraw/zinc/98/37/47/567983747.db2.gz	NXPKGJDBNFYMIA-HXUWFJFHSA-N	1	1	370.541	2.493	20	30		FEEDMO
C/C=C\c1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1	ZINC000602854903	568002096	/nfs/dbraw/zinc/00/20/96/568002096.db2.gz	DQIHZHGWWJYLCD-FIVJTZFBSA-N	1	1	373.497	2.386	20	30		FEEDMO
CC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CCN(CC(F)(F)F)C1	ZINC000602890636	568007085	/nfs/dbraw/zinc/00/70/85/568007085.db2.gz	BWIAGBFZESQTHP-GJZGRUSLSA-N	1	1	363.424	2.016	20	30		FEEDMO
C[C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[C@H](C)N1CC#N	ZINC000603099575	568060350	/nfs/dbraw/zinc/06/03/50/568060350.db2.gz	RZQBLXJTRBXMCD-STQMWFEESA-N	1	1	374.395	2.263	20	30		FEEDMO
C[N@@H+](Cc1cn(CC(=O)NC2(C#N)CCCCC2)nn1)C1CCCCC1	ZINC000603173851	568071282	/nfs/dbraw/zinc/07/12/82/568071282.db2.gz	CMZIRLPCRAMRHG-UHFFFAOYSA-N	1	1	358.490	2.385	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1	ZINC000603209003	568073660	/nfs/dbraw/zinc/07/36/60/568073660.db2.gz	MMHYRKGFKQOPMV-DNVCBOLYSA-N	1	1	366.469	2.063	20	30		FEEDMO
C=CCOc1ccc(C(=O)NCCCN2CCC[N@@H+](C)CC2)cc1OC	ZINC000603811185	568143759	/nfs/dbraw/zinc/14/37/59/568143759.db2.gz	NFNXRSLMPGWJHE-UHFFFAOYSA-N	1	1	361.486	2.017	20	30		FEEDMO
C=CCOc1ccc(C(=O)NCCC[N@@H+]2CCCN(C)CC2)cc1OC	ZINC000603811185	568143760	/nfs/dbraw/zinc/14/37/60/568143760.db2.gz	NFNXRSLMPGWJHE-UHFFFAOYSA-N	1	1	361.486	2.017	20	30		FEEDMO
C=CCOc1ccc(C(=O)NCCC[N@H+]2CCCN(C)CC2)cc1OC	ZINC000603811185	568143761	/nfs/dbraw/zinc/14/37/61/568143761.db2.gz	NFNXRSLMPGWJHE-UHFFFAOYSA-N	1	1	361.486	2.017	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(CC(=O)NC2CCCC2)CC1	ZINC000604415992	568281145	/nfs/dbraw/zinc/28/11/45/568281145.db2.gz	RFIHZFJPIOYMIW-INIZCTEOSA-N	1	1	362.518	2.155	20	30		FEEDMO
CSC1(C[NH+]2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1	ZINC000569162336	568300972	/nfs/dbraw/zinc/30/09/72/568300972.db2.gz	UGDPPYOHKARRAG-UHFFFAOYSA-N	1	1	365.524	2.150	20	30		FEEDMO
C=CC[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735409044	599213700	/nfs/dbraw/zinc/21/37/00/599213700.db2.gz	AVVCXLACGDZMFO-OAHLLOKOSA-N	1	1	369.473	2.049	20	30		FEEDMO
N#CC1(NC(=O)C[NH2+][C@H](CCO)c2ccccc2Br)CCC1	ZINC000558093555	674482964	/nfs/dbraw/zinc/48/29/64/674482964.db2.gz	PGCCLHYLQMODKT-CQSZACIVSA-N	1	1	366.259	2.025	20	30		FEEDMO
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000736763356	600566087	/nfs/dbraw/zinc/56/60/87/600566087.db2.gz	WYDAACZCILKAAQ-MBOZVWFJSA-N	1	1	370.497	2.174	20	30		FEEDMO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)n1	ZINC000559184880	674531958	/nfs/dbraw/zinc/53/19/58/674531958.db2.gz	HWRJSCSBIIXPMU-MRXNPFEDSA-N	1	1	355.829	2.963	20	30		FEEDMO
N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)n1	ZINC000559184880	674531959	/nfs/dbraw/zinc/53/19/59/674531959.db2.gz	HWRJSCSBIIXPMU-MRXNPFEDSA-N	1	1	355.829	2.963	20	30		FEEDMO
C[C@]1(C#N)CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1	ZINC000824776832	608125766	/nfs/dbraw/zinc/12/57/66/608125766.db2.gz	DLZFOOSMJKHHCL-QGZVFWFLSA-N	1	1	373.848	2.474	20	30		FEEDMO
C[C@]1(C#N)CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1	ZINC000824776832	608125767	/nfs/dbraw/zinc/12/57/67/608125767.db2.gz	DLZFOOSMJKHHCL-QGZVFWFLSA-N	1	1	373.848	2.474	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1	ZINC000559978112	674562568	/nfs/dbraw/zinc/56/25/68/674562568.db2.gz	KKQRFZKNHQQNRZ-CABCVRRESA-N	1	1	363.527	2.472	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1	ZINC000559978112	674562570	/nfs/dbraw/zinc/56/25/70/674562570.db2.gz	KKQRFZKNHQQNRZ-CABCVRRESA-N	1	1	363.527	2.472	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1	ZINC000560777827	674616265	/nfs/dbraw/zinc/61/62/65/674616265.db2.gz	QQSCRKVRTNKSAY-MRXNPFEDSA-N	1	1	363.527	2.499	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000561504133	674672811	/nfs/dbraw/zinc/67/28/11/674672811.db2.gz	ALKJKZMUBRAIHP-LLVKDONJSA-N	1	1	374.304	2.329	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2C#N)CC[N@H+](C2CCC2)C1	ZINC000813752410	674776871	/nfs/dbraw/zinc/77/68/71/674776871.db2.gz	SAGVLXAYTOSGHT-ZDUSSCGKSA-N	1	1	351.447	2.192	20	30		FEEDMO
Brc1cc2c(s1)CCC2=NNCCC[NH+]1CCOCC1	ZINC000814923371	674888141	/nfs/dbraw/zinc/88/81/41/674888141.db2.gz	GDXOLEKYMYQDBG-UHFFFAOYSA-N	1	1	358.305	2.473	20	30		FEEDMO
CC(C)Oc1ccccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000564202415	674983578	/nfs/dbraw/zinc/98/35/78/674983578.db2.gz	IKBVAVVOYBBXEW-UHFFFAOYSA-N	1	1	359.451	2.304	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)OC	ZINC001048573914	675010994	/nfs/dbraw/zinc/01/09/94/675010994.db2.gz	IRPBPROQKDYLED-XEZGLNCPSA-N	1	1	350.503	2.362	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CCN1c1snc(C)c1C#N	ZINC001049004923	675020875	/nfs/dbraw/zinc/02/08/75/675020875.db2.gz	HDHXVOVFXWHRPL-VBNZEHGJSA-N	1	1	361.515	2.139	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](CC)OC)C[C@@H]2C1	ZINC001049104423	675023220	/nfs/dbraw/zinc/02/32/20/675023220.db2.gz	LSNXGNWPVYSFGS-LFDJNIOPSA-N	1	1	350.503	2.173	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2C1	ZINC001049110871	675023444	/nfs/dbraw/zinc/02/34/44/675023444.db2.gz	CQEWDLBTTGBOKV-MVJTYMMSSA-N	1	1	361.511	2.057	20	30		FEEDMO
CCOc1ccc(O)c(/C=N/C[C@]2([NH+]3CCOCC3)CCSC2)c1	ZINC000041701615	670149267	/nfs/dbraw/zinc/14/92/67/670149267.db2.gz	BBXDDFAOKLLAHZ-LSCADSNKSA-N	1	1	350.484	2.418	20	30		FEEDMO
C=CC[N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000067400059	670457456	/nfs/dbraw/zinc/45/74/56/670457456.db2.gz	PBYRKIVWURMOML-JKSUJKDBSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CC[N@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000067400059	670457459	/nfs/dbraw/zinc/45/74/59/670457459.db2.gz	PBYRKIVWURMOML-JKSUJKDBSA-N	1	1	372.531	2.309	20	30		FEEDMO
Cc1cc(NC(=O)CO[NH+]=C(N)C2CCOCC2)ccc1Br	ZINC000112087496	670865522	/nfs/dbraw/zinc/86/55/22/670865522.db2.gz	KLUMVKTXWRZKOR-UHFFFAOYSA-N	1	1	370.247	2.411	20	30		FEEDMO
CC(C)[C@H](NC(=O)CO[NH+]=C(N)C1CCOCC1)c1ccc(F)cc1	ZINC000112087232	670865716	/nfs/dbraw/zinc/86/57/16/670865716.db2.gz	OZNQFANTTUVYSQ-KRWDZBQOSA-N	1	1	351.422	2.354	20	30		FEEDMO
CC(C)(C)c1nnc(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)s1	ZINC000576030186	671338797	/nfs/dbraw/zinc/33/87/97/671338797.db2.gz	QJYBHEAVTHGTLW-AWEZNQCLSA-N	1	1	360.483	2.431	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1	ZINC000609537739	675925170	/nfs/dbraw/zinc/92/51/70/675925170.db2.gz	DDFUZYOUTSATIY-SJLPKXTDSA-N	1	1	351.878	2.245	20	30		FEEDMO
N#CC1(CC[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)CCCCC1	ZINC000580526081	671815318	/nfs/dbraw/zinc/81/53/18/671815318.db2.gz	VYAWKHFZTCSUDE-UHFFFAOYSA-N	1	1	353.532	2.045	20	30		FEEDMO
C[C@@H](SC[C@@H]1C[N@H+](C)CCO1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000580833024	671838449	/nfs/dbraw/zinc/83/84/49/671838449.db2.gz	QVMMINMKYCUQBO-NDUQDZPOSA-N	1	1	353.532	2.370	20	30		FEEDMO
C[C@@H](SC[C@@H]1C[N@@H+](C)CCO1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000580833024	671838453	/nfs/dbraw/zinc/83/84/53/671838453.db2.gz	QVMMINMKYCUQBO-NDUQDZPOSA-N	1	1	353.532	2.370	20	30		FEEDMO
CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000581051686	671858540	/nfs/dbraw/zinc/85/85/40/671858540.db2.gz	YQCJJXLXHVGYMY-AYOQOUSVSA-N	1	1	351.491	2.341	20	30		FEEDMO
COCCN1CCC[C@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F	ZINC000160712787	672292968	/nfs/dbraw/zinc/29/29/68/672292968.db2.gz	AMPSXIROTNIHRK-LBPRGKRZSA-N	1	1	360.380	2.423	20	30		FEEDMO
C=C(Br)CNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1	ZINC000176008061	672371990	/nfs/dbraw/zinc/37/19/90/672371990.db2.gz	VRTSTCVGHBRDCL-UHFFFAOYSA-N	1	1	368.279	2.270	20	30		FEEDMO
C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1	ZINC000179210354	672399869	/nfs/dbraw/zinc/39/98/69/672399869.db2.gz	ZOKZEPCUAGKFQZ-HOTGVXAUSA-N	1	1	351.491	2.400	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)c1cccc(CC#N)c1)c1ccc(F)cc1	ZINC000588138364	672453135	/nfs/dbraw/zinc/45/31/35/672453135.db2.gz	ZRHPDQJXEXBDIE-SFHVURJKSA-N	1	1	361.442	2.473	20	30		FEEDMO
CC#CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C	ZINC000186098112	672541113	/nfs/dbraw/zinc/54/11/13/672541113.db2.gz	KZRLWXCDEQSZFQ-MRXNPFEDSA-N	1	1	351.491	2.285	20	30		FEEDMO
CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCC[N@H+]1CCCC#N	ZINC000186101295	672541449	/nfs/dbraw/zinc/54/14/49/672541449.db2.gz	OUBYUQQBVTXYJK-OAHLLOKOSA-N	1	1	352.479	2.176	20	30		FEEDMO
C[N@@H+]1C[C@H]2[C@@H](CCN2CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000590012738	672554566	/nfs/dbraw/zinc/55/45/66/672554566.db2.gz	XDOBZISKBHEFMJ-BBRMVZONSA-N	1	1	358.511	2.463	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)COc2cccc(Br)c2C#N)C[C@@H]1C	ZINC000590684781	672601708	/nfs/dbraw/zinc/60/17/08/672601708.db2.gz	MTYZHNSIYZAEAY-LBPRGKRZSA-N	1	1	366.259	2.252	20	30		FEEDMO
COCC#CC[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1	ZINC000591852521	672716264	/nfs/dbraw/zinc/71/62/64/672716264.db2.gz	XWDJAQPHORHRIT-CVEARBPZSA-N	1	1	366.255	2.287	20	30		FEEDMO
N#CC[C@@]1(O)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000592147162	672764164	/nfs/dbraw/zinc/76/41/64/672764164.db2.gz	ITXTXUNWGAMDGM-GOSISDBHSA-N	1	1	358.467	2.178	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1	ZINC000245545254	672820369	/nfs/dbraw/zinc/82/03/69/672820369.db2.gz	SZUUXCQXECHQKD-WBVHZDCISA-N	1	1	365.499	2.271	20	30		FEEDMO
CCC(CC)[C@H](CNC(=O)N1CCC[C@](C)(C#N)C1)[NH+]1CCOCC1	ZINC000612099550	676068723	/nfs/dbraw/zinc/06/87/23/676068723.db2.gz	YVGHFUARUVVQAA-PKOBYXMFSA-N	1	1	350.507	2.459	20	30		FEEDMO
C[NH+]=C(NCc1ccc(Br)cc1)N1CC[C@H](N2CC=CC2)C1	ZINC000262761373	672920535	/nfs/dbraw/zinc/92/05/35/672920535.db2.gz	JNBMGCRJZFBBDQ-INIZCTEOSA-N	1	1	363.303	2.471	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccsc1C#N)c1ccc(F)cc1	ZINC000593533643	672935920	/nfs/dbraw/zinc/93/59/20/672935920.db2.gz	SUSTXJYJSXTXTA-ZDUSSCGKSA-N	1	1	353.444	2.340	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)[N@H+](C)C1	ZINC000329018455	673071034	/nfs/dbraw/zinc/07/10/34/673071034.db2.gz	HCFBXBDCKDQQQK-SRVKXCTJSA-N	1	1	360.380	2.140	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)[N@@H+](C)C1	ZINC000329018455	673071039	/nfs/dbraw/zinc/07/10/39/673071039.db2.gz	HCFBXBDCKDQQQK-SRVKXCTJSA-N	1	1	360.380	2.140	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)[N@H+](C)C1	ZINC000329041591	673071417	/nfs/dbraw/zinc/07/14/17/673071417.db2.gz	OMQMFLIAXBALKY-GLQYFDAESA-N	1	1	369.824	2.260	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)[N@@H+](C)C1	ZINC000329041591	673071419	/nfs/dbraw/zinc/07/14/19/673071419.db2.gz	OMQMFLIAXBALKY-GLQYFDAESA-N	1	1	369.824	2.260	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000725809206	673091412	/nfs/dbraw/zinc/09/14/12/673091412.db2.gz	IUJWINKNWSZSMR-CVEARBPZSA-N	1	1	351.491	2.422	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1	ZINC000595072619	673190887	/nfs/dbraw/zinc/19/08/87/673190887.db2.gz	IMWCHKIUPRZUCQ-CYBMUJFWSA-N	1	1	362.861	2.387	20	30		FEEDMO
C=CCSCCNC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1	ZINC000595492808	673257570	/nfs/dbraw/zinc/25/75/70/673257570.db2.gz	NCGOOAAYDSTQBR-SFHVURJKSA-N	1	1	362.543	2.021	20	30		FEEDMO
C=CCSCCNC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1	ZINC000595492808	673257572	/nfs/dbraw/zinc/25/75/72/673257572.db2.gz	NCGOOAAYDSTQBR-SFHVURJKSA-N	1	1	362.543	2.021	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](CC#N)C2)[C@H](C)C1	ZINC000595512323	673259663	/nfs/dbraw/zinc/25/96/63/673259663.db2.gz	XOPJYXUBHBDZDK-KURKYZTESA-N	1	1	350.507	2.459	20	30		FEEDMO
C[NH+](C)[C@@H](C(=O)NCCNc1ccc(C#N)cn1)c1cccc(Cl)c1	ZINC000732269778	673361159	/nfs/dbraw/zinc/36/11/59/673361159.db2.gz	XXRPYQRULIVDKD-QGZVFWFLSA-N	1	1	357.845	2.438	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)C(=O)NCC1(C#N)CCCCC1)c1ccsc1	ZINC000597187172	673455377	/nfs/dbraw/zinc/45/53/77/673455377.db2.gz	LQUJKKMFBZJZNB-OAHLLOKOSA-N	1	1	362.499	2.057	20	30		FEEDMO
CCC[N@H+]1CC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1	ZINC000598341621	673561364	/nfs/dbraw/zinc/56/13/64/673561364.db2.gz	DWBIRLZIEZCMTK-HNNXBMFYSA-N	1	1	350.260	2.464	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000599597322	673695674	/nfs/dbraw/zinc/69/56/74/673695674.db2.gz	SGGSVOQBGRVYTN-ZRGWGRIASA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1	ZINC000599597322	673695679	/nfs/dbraw/zinc/69/56/79/673695679.db2.gz	SGGSVOQBGRVYTN-ZRGWGRIASA-N	1	1	351.491	2.341	20	30		FEEDMO
C[C@H]1C[NH+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C[C@H](C)S1	ZINC000743376774	673757400	/nfs/dbraw/zinc/75/74/00/673757400.db2.gz	UXPABSSOYKYMBB-KBPBESRZSA-N	1	1	358.467	2.106	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21	ZINC000601374142	673850821	/nfs/dbraw/zinc/85/08/21/673850821.db2.gz	BHCMFXGYJGRTSO-CZUORRHYSA-N	1	1	351.447	2.111	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1	ZINC000602879568	673912250	/nfs/dbraw/zinc/91/22/50/673912250.db2.gz	BRINBMCVKGZEFP-GOSISDBHSA-N	1	1	361.511	2.207	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3ccnn3)CC2)cc1Cl	ZINC000602887246	673912755	/nfs/dbraw/zinc/91/27/55/673912755.db2.gz	GYIOHUAHVSARLX-HNNXBMFYSA-N	1	1	358.833	2.469	20	30		FEEDMO
CN(C[C@H](O)C[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)OC(C)(C)C	ZINC000818164779	675200196	/nfs/dbraw/zinc/20/01/96/675200196.db2.gz	BFDMTEHLIHWMED-OAHLLOKOSA-N	1	1	351.422	2.357	20	30		FEEDMO
CN(C[C@H](O)C[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)OC(C)(C)C	ZINC000818164779	675200201	/nfs/dbraw/zinc/20/02/01/675200201.db2.gz	BFDMTEHLIHWMED-OAHLLOKOSA-N	1	1	351.422	2.357	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1nc(-n2nc(C)cc2C)ccc1Cl	ZINC000818602780	675227792	/nfs/dbraw/zinc/22/77/92/675227792.db2.gz	DUNCXLOMGJTLDB-UHFFFAOYSA-N	1	1	359.861	2.222	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000818608951	675228571	/nfs/dbraw/zinc/22/85/71/675228571.db2.gz	AIIHFFBPDLFHJH-UHFFFAOYSA-N	1	1	355.847	2.412	20	30		FEEDMO
COc1c(C)cnc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)c1C	ZINC000818989107	675250274	/nfs/dbraw/zinc/25/02/74/675250274.db2.gz	YISLBCCIKDIBSV-UHFFFAOYSA-N	1	1	359.451	2.142	20	30		FEEDMO
COc1cccc(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)c1OC	ZINC000567126081	675268914	/nfs/dbraw/zinc/26/89/14/675268914.db2.gz	XUFXURFQMZADQW-UHFFFAOYSA-N	1	1	360.435	2.139	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[NH2+]C2CCN(C3CCCC3)CC2)c1	ZINC000567891564	675333270	/nfs/dbraw/zinc/33/32/70/675333270.db2.gz	JYHAXMBVNMIDQZ-UHFFFAOYSA-N	1	1	361.511	2.329	20	30		FEEDMO
C#C[C@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)c1ccc(Cl)cc1F	ZINC000820755118	675385508	/nfs/dbraw/zinc/38/55/08/675385508.db2.gz	GXMZWLGMGYLIBZ-XNJGSVPQSA-N	1	1	367.852	2.250	20	30		FEEDMO
C#CCN(CC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C	ZINC000828596494	675832835	/nfs/dbraw/zinc/83/28/35/675832835.db2.gz	WQLKABLZVGKJDO-JKSUJKDBSA-N	1	1	351.491	2.045	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(c2[nH]cc[nH+]2)CC1	ZINC000618903238	676356035	/nfs/dbraw/zinc/35/60/35/676356035.db2.gz	DQJRJPXWZMJXAB-LBPRGKRZSA-N	1	1	358.833	2.084	20	30		FEEDMO
N#Cc1cc(Cl)cc(Br)c1N1CCC[N@@H+](CCO)CC1	ZINC000619570508	676385405	/nfs/dbraw/zinc/38/54/05/676385405.db2.gz	LTDSEDNZRRKMPX-UHFFFAOYSA-N	1	1	358.667	2.479	20	30		FEEDMO
N#Cc1cc(Cl)cc(Br)c1N1CCC[N@H+](CCO)CC1	ZINC000619570508	676385407	/nfs/dbraw/zinc/38/54/07/676385407.db2.gz	LTDSEDNZRRKMPX-UHFFFAOYSA-N	1	1	358.667	2.479	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619768390	676393949	/nfs/dbraw/zinc/39/39/49/676393949.db2.gz	NYAUMDIEFNIMEZ-CYBMUJFWSA-N	1	1	364.877	2.198	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@H](CC)[C@@H](O)c1c(F)cccc1F	ZINC000838622839	680706571	/nfs/dbraw/zinc/70/65/71/680706571.db2.gz	PYGDECBETDCRGF-NVXWUHKLSA-N	1	1	353.413	2.031	20	30		FEEDMO
CN(CCO)c1ccc(C=[NH+]NC(=S)NCCc2cccs2)cc1	ZINC000839412951	680752155	/nfs/dbraw/zinc/75/21/55/680752155.db2.gz	MIEAZMPSKKQPEG-UHFFFAOYSA-N	1	1	362.524	2.217	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=C1CCc2ccc(Cl)cc21	ZINC000762442929	680750070	/nfs/dbraw/zinc/75/00/70/680750070.db2.gz	MINZGDCDZSBTIW-UHFFFAOYSA-N	1	1	366.918	2.177	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000839591521	680764368	/nfs/dbraw/zinc/76/43/68/680764368.db2.gz	JPMVTPKCPIFABZ-JKSUJKDBSA-N	1	1	351.491	2.352	20	30		FEEDMO
C=CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)[C@@H](C)COC	ZINC000661246224	678457413	/nfs/dbraw/zinc/45/74/13/678457413.db2.gz	GTXAORBPSDLVKP-AWEZNQCLSA-N	1	1	367.877	2.260	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)[C@@H](C)COC	ZINC000661246224	678457418	/nfs/dbraw/zinc/45/74/18/678457418.db2.gz	GTXAORBPSDLVKP-AWEZNQCLSA-N	1	1	367.877	2.260	20	30		FEEDMO
C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)C1	ZINC000661379701	678472676	/nfs/dbraw/zinc/47/26/76/678472676.db2.gz	HCDXQNOCLOPPLQ-HNNXBMFYSA-N	1	1	365.499	2.130	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)C(C)(C)C	ZINC000661756933	678530370	/nfs/dbraw/zinc/53/03/70/678530370.db2.gz	XZEPANDYUDAUNL-UHFFFAOYSA-N	1	1	353.488	2.128	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@H]1CCCO1	ZINC000763777431	680791983	/nfs/dbraw/zinc/79/19/83/680791983.db2.gz	DIHUQFXOFYIHHS-ARFHVFGLSA-N	1	1	363.255	2.325	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+]Cc1cc(Br)cc2c1OCC2	ZINC000764972486	680826048	/nfs/dbraw/zinc/82/60/48/680826048.db2.gz	KNWOCVSRQDXYCY-UHFFFAOYSA-N	1	1	360.273	2.074	20	30		FEEDMO
C=C(C)Cn1c([C@H]2CCCS2)nnc1N1CC[NH+]([C@H]2CCOC2)CC1	ZINC000669322396	679229040	/nfs/dbraw/zinc/22/90/40/679229040.db2.gz	PYSKYVVFTHDXHJ-JKSUJKDBSA-N	1	1	363.531	2.333	20	30		FEEDMO
Fc1ccc2c(c1)CCCC2=NNC(=S)NCCC[NH+]1CCOCC1	ZINC000747627619	679893289	/nfs/dbraw/zinc/89/32/89/679893289.db2.gz	LJNGVSIZMJOCTH-UHFFFAOYSA-N	1	1	364.490	2.053	20	30		FEEDMO
CCCCO[C@H]1CC(=NNC(=S)NCCC[NH+]2CCOCC2)C1(C)C	ZINC000747628763	679893297	/nfs/dbraw/zinc/89/32/97/679893297.db2.gz	ZWSWEEDNAISNCB-INIZCTEOSA-N	1	1	370.563	2.144	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)CC1	ZINC000747819981	679905191	/nfs/dbraw/zinc/90/51/91/679905191.db2.gz	FURBCCKEHNQUHR-CQSZACIVSA-N	1	1	361.873	2.437	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCn2cc(Cl)cn2)C1	ZINC001015819675	680052486	/nfs/dbraw/zinc/05/24/86/680052486.db2.gz	NYKWDUASNCKEEF-IKGGRYGDSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001015819675	680052493	/nfs/dbraw/zinc/05/24/93/680052493.db2.gz	NYKWDUASNCKEEF-IKGGRYGDSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C(Br)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001016845486	680065649	/nfs/dbraw/zinc/06/56/49/680065649.db2.gz	PAUPFUCZNTUONZ-APIJFGDWSA-N	1	1	369.303	2.433	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2csnn2)C1	ZINC001020714568	680113352	/nfs/dbraw/zinc/11/33/52/680113352.db2.gz	UIUOCFVQQLTYCE-FAHYXWLWSA-N	1	1	350.488	2.207	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC	ZINC000976611886	680140880	/nfs/dbraw/zinc/14/08/80/680140880.db2.gz	XSZPDWFXISBYPW-AALSBFMBSA-N	1	1	367.921	2.068	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnns1	ZINC001021260499	680145265	/nfs/dbraw/zinc/14/52/65/680145265.db2.gz	UAJACGYFYODDRC-QGEPZTFVSA-N	1	1	362.499	2.131	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnns1	ZINC001021260499	680145267	/nfs/dbraw/zinc/14/52/67/680145267.db2.gz	UAJACGYFYODDRC-QGEPZTFVSA-N	1	1	362.499	2.131	20	30		FEEDMO
C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@]2(C)C1	ZINC000982380770	680276042	/nfs/dbraw/zinc/27/60/42/680276042.db2.gz	FFUVBBVQEKETBC-QJDUNDLHSA-N	1	1	350.890	2.333	20	30		FEEDMO
C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@@]2(C)C1	ZINC000982380770	680276043	/nfs/dbraw/zinc/27/60/43/680276043.db2.gz	FFUVBBVQEKETBC-QJDUNDLHSA-N	1	1	350.890	2.333	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]Cc1csnn1	ZINC001025108962	680313802	/nfs/dbraw/zinc/31/38/02/680313802.db2.gz	GYNNXEGEEZPUCG-IKGGRYGDSA-N	1	1	364.515	2.380	20	30		FEEDMO
C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)C[N@H+]1C1CC1	ZINC000753955074	680326412	/nfs/dbraw/zinc/32/64/12/680326412.db2.gz	KQZKGGPAANVRAS-GFCCVEGCSA-N	1	1	365.503	2.183	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nncs2)C(C)(C)C1	ZINC000996392645	680330904	/nfs/dbraw/zinc/33/09/04/680330904.db2.gz	GUNJMGLBEIBBTL-LZWOXQAQSA-N	1	1	364.515	2.236	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC[C@@H]3CC3(Cl)Cl)C[C@H]21	ZINC001026056823	680340465	/nfs/dbraw/zinc/34/04/65/680340465.db2.gz	DRPYDDNZHODGKH-JNWWKETESA-N	1	1	359.297	2.208	20	30		FEEDMO
CCc1[nH+]c(C=NNC(=S)NCCc2ccccn2)c2ccccn21	ZINC000755684034	680428385	/nfs/dbraw/zinc/42/83/85/680428385.db2.gz	XLMMFBIDRCHTKG-UHFFFAOYSA-N	1	1	352.467	2.332	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCn2cc(Cl)cn2)C1	ZINC001034407790	680435308	/nfs/dbraw/zinc/43/53/08/680435308.db2.gz	DHIHHCDHQVNNRA-BBWFWOEESA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCC2CCC2)CCO1	ZINC001035370615	680445210	/nfs/dbraw/zinc/44/52/10/680445210.db2.gz	NRBLRLXQKJLARR-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3cc(C)ns3)C2)C1	ZINC001041696136	680508705	/nfs/dbraw/zinc/50/87/05/680508705.db2.gz	KZDVUMJPKZZNQM-ZIFCJYIRSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1	ZINC001004456805	680556348	/nfs/dbraw/zinc/55/63/48/680556348.db2.gz	IFYRNWYIYYFIBH-UAGQMJEPSA-N	1	1	356.894	2.246	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(NS(=O)(=O)CCC)cc1	ZINC000759327317	680642348	/nfs/dbraw/zinc/64/23/48/680642348.db2.gz	ZKFGXTPPQCMSTL-QGZVFWFLSA-N	1	1	364.467	2.093	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)C2	ZINC001045967204	680642429	/nfs/dbraw/zinc/64/24/29/680642429.db2.gz	PNPYGCXTKNSDNT-JTDSTZFVSA-N	1	1	367.921	2.168	20	30		FEEDMO
CC(C)OC[C@H](O)CO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000768301437	680943665	/nfs/dbraw/zinc/94/36/65/680943665.db2.gz	LOCMUBXEYQRXOB-HNNXBMFYSA-N	1	1	351.403	2.331	20	30		FEEDMO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCO[C@]2(CCSC2)C1	ZINC000842618678	680955050	/nfs/dbraw/zinc/95/50/50/680955050.db2.gz	CILUADIBNVGCNP-GOSISDBHSA-N	1	1	355.467	2.291	20	30		FEEDMO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCO[C@]2(CCSC2)C1	ZINC000842618678	680955052	/nfs/dbraw/zinc/95/50/52/680955052.db2.gz	CILUADIBNVGCNP-GOSISDBHSA-N	1	1	355.467	2.291	20	30		FEEDMO
C#CC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1	ZINC000843267559	680994476	/nfs/dbraw/zinc/99/44/76/680994476.db2.gz	AVSQGHKGMGNYIR-OAHLLOKOSA-N	1	1	361.239	2.426	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2snc(C)c2C#N)[C@@H]1C	ZINC001050357721	681046570	/nfs/dbraw/zinc/04/65/70/681046570.db2.gz	AXXRFMIKNVRNSF-KBMXLJTQSA-N	1	1	361.515	2.281	20	30		FEEDMO
C[C@@H](C(=O)NCCc1cccs1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1	ZINC000844366311	681054234	/nfs/dbraw/zinc/05/42/34/681054234.db2.gz	IKPKHJQHRGATFX-KSSFIOAISA-N	1	1	357.479	2.332	20	30		FEEDMO
C[C@@H](C(=O)NCCc1cccs1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1	ZINC000844366311	681054236	/nfs/dbraw/zinc/05/42/36/681054236.db2.gz	IKPKHJQHRGATFX-KSSFIOAISA-N	1	1	357.479	2.332	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(OC)ns2)CC1	ZINC001052723789	681084385	/nfs/dbraw/zinc/08/43/85/681084385.db2.gz	UYGRQMKKBQNWBM-BMFZPTHFSA-N	1	1	365.499	2.214	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1CNc1nc(Cl)c(C#N)s1	ZINC001053653820	681102615	/nfs/dbraw/zinc/10/26/15/681102615.db2.gz	ZSHSTQMUYOPHQA-UTUOFQBUSA-N	1	1	367.906	2.269	20	30		FEEDMO
C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ncc(Br)s1	ZINC000772986861	681121137	/nfs/dbraw/zinc/12/11/37/681121137.db2.gz	ZOCRYIPQEMOQGM-RWKJSZNZSA-N	1	1	371.260	2.083	20	30		FEEDMO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C3)c1C#N	ZINC001055471753	681137576	/nfs/dbraw/zinc/13/75/76/681137576.db2.gz	SHZGJUQHLJHXRU-DMRZNYOFSA-N	1	1	359.499	2.033	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC2CCN(c3ncc(C#N)cc3Cl)CC2)CC[N@H+]1C	ZINC001057964809	681166280	/nfs/dbraw/zinc/16/62/80/681166280.db2.gz	IWERIYNQXXLIEJ-IUODEOHRSA-N	1	1	361.877	2.032	20	30		FEEDMO
N#C[C@@H]1CNC[C@H]1NC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1	ZINC000846313140	681223916	/nfs/dbraw/zinc/22/39/16/681223916.db2.gz	KJSMCYMXNXZXIX-RHSMWYFYSA-N	1	1	359.499	2.108	20	30		FEEDMO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC1	ZINC000774875045	681244488	/nfs/dbraw/zinc/24/44/88/681244488.db2.gz	GZIOVRAMUKKNMP-ZDUSSCGKSA-N	1	1	354.281	2.421	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCCO1	ZINC000775789239	681335032	/nfs/dbraw/zinc/33/50/32/681335032.db2.gz	LNDJKSAUGKUYJB-HOTGVXAUSA-N	1	1	365.271	2.178	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@H]1CCCO1	ZINC000775794668	681335655	/nfs/dbraw/zinc/33/56/55/681335655.db2.gz	RSNZHTPTOYLTOQ-GXTWGEPZSA-N	1	1	352.818	2.066	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@H]1CCCO1	ZINC000775797376	681336302	/nfs/dbraw/zinc/33/63/02/681336302.db2.gz	DCUCZMYIVMNENL-LZLYRXPVSA-N	1	1	355.463	2.119	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000776592239	681412700	/nfs/dbraw/zinc/41/27/00/681412700.db2.gz	CWFTXBDQRKBNNT-CQSZACIVSA-N	1	1	356.495	2.076	20	30		FEEDMO
CC[N@H+](CCC(=O)NC)CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000933868586	681477019	/nfs/dbraw/zinc/47/70/19/681477019.db2.gz	ZSZUWIVCXARZFY-UHFFFAOYSA-N	1	1	362.499	2.285	20	30		FEEDMO
CC[N@@H+](CCC(=O)NC)CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000933868586	681477020	/nfs/dbraw/zinc/47/70/20/681477020.db2.gz	ZSZUWIVCXARZFY-UHFFFAOYSA-N	1	1	362.499	2.285	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1	ZINC000934263057	681537842	/nfs/dbraw/zinc/53/78/42/681537842.db2.gz	ARBLDAYGQVMBAN-SJORKVTESA-N	1	1	364.287	2.352	20	30		FEEDMO
C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000934465309	681575067	/nfs/dbraw/zinc/57/50/67/681575067.db2.gz	KVXVQHSTXZWZTN-INIZCTEOSA-N	1	1	363.483	2.060	20	30		FEEDMO
C=CC[C@H]1CC[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000934465309	681575070	/nfs/dbraw/zinc/57/50/70/681575070.db2.gz	KVXVQHSTXZWZTN-INIZCTEOSA-N	1	1	363.483	2.060	20	30		FEEDMO
N#Cc1cc(F)c(N2CC[NH+](CCCCO)CC2)cc1Br	ZINC000848669237	681596559	/nfs/dbraw/zinc/59/65/59/681596559.db2.gz	YVZBIRXLFUNCNW-UHFFFAOYSA-N	1	1	356.239	2.354	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](O)[C@@H](F)C2)sc2c1CCCC2	ZINC000934580984	681596536	/nfs/dbraw/zinc/59/65/36/681596536.db2.gz	HPAFXZPAARNJGY-KBPBESRZSA-N	1	1	351.447	2.232	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](O)[C@@H](F)C2)sc2c1CCCC2	ZINC000934580984	681596541	/nfs/dbraw/zinc/59/65/41/681596541.db2.gz	HPAFXZPAARNJGY-KBPBESRZSA-N	1	1	351.447	2.232	20	30		FEEDMO
CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2cccc(C#N)c2F)CC1	ZINC000934751779	681621568	/nfs/dbraw/zinc/62/15/68/681621568.db2.gz	LGKMVHSGOHSTDY-DEOSSOPVSA-N	1	1	352.479	2.484	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCO[C@H]1C(=C)C)CCO2	ZINC000949209789	681624616	/nfs/dbraw/zinc/62/46/16/681624616.db2.gz	USWBEKFYFJVBRO-IRXDYDNUSA-N	1	1	368.905	2.414	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cc1	ZINC000934836981	681645756	/nfs/dbraw/zinc/64/57/56/681645756.db2.gz	GZHBEOGRZDNVSP-ZWKOTPCHSA-N	1	1	362.495	2.471	20	30		FEEDMO
Cc1nn(-c2ccc(Br)cc2)cc1C=NNC1=[NH+]C[C@H](C)N1	ZINC000779792876	681753355	/nfs/dbraw/zinc/75/33/55/681753355.db2.gz	VSWTXQXFFFVEPX-JTQLQIEISA-N	1	1	361.247	2.214	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cn(C(C)(C)C)nc2Br)CC1	ZINC000780012934	681781589	/nfs/dbraw/zinc/78/15/89/681781589.db2.gz	WHAANIWYONYJRI-UHFFFAOYSA-N	1	1	368.279	2.118	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)N2CC[NH+](CCCCCO)CC2)cc1	ZINC000913690835	685482309	/nfs/dbraw/zinc/48/23/09/685482309.db2.gz	XXRVRWQLWZAZKJ-UHFFFAOYSA-N	1	1	361.511	2.098	20	30		FEEDMO
C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)C1	ZINC000913782042	685485087	/nfs/dbraw/zinc/48/50/87/685485087.db2.gz	IRNTUYGWPKBPEN-JKSUJKDBSA-N	1	1	355.360	2.125	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)C[C@@H]2CCOC2)CC1	ZINC000957755549	681922505	/nfs/dbraw/zinc/92/25/05/681922505.db2.gz	IHPUHCBWVOHZKC-OTWHNJEPSA-N	1	1	350.503	2.175	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1csc(C#N)c1	ZINC000914235559	685500180	/nfs/dbraw/zinc/50/01/80/685500180.db2.gz	YKOUFLPGMWTJHV-MJBXVCDLSA-N	1	1	355.529	2.406	20	30		FEEDMO
CC(=[NH+]N[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1	ZINC000916239923	685522816	/nfs/dbraw/zinc/52/28/16/685522816.db2.gz	RSXHCLKYDGTCID-HNNXBMFYSA-N	1	1	353.463	2.317	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)C1CCOCC1	ZINC000851953094	682191078	/nfs/dbraw/zinc/19/10/78/682191078.db2.gz	XFOZQUJMDXBOMG-YOEHRIQHSA-N	1	1	361.511	2.222	20	30		FEEDMO
C#C[C@H](NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)C1CCOCC1	ZINC000851953094	682191080	/nfs/dbraw/zinc/19/10/80/682191080.db2.gz	XFOZQUJMDXBOMG-YOEHRIQHSA-N	1	1	361.511	2.222	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cs1	ZINC000917779063	685534650	/nfs/dbraw/zinc/53/46/50/685534650.db2.gz	XACVREXBTZAADU-CQSZACIVSA-N	1	1	353.513	2.161	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852525900	682295011	/nfs/dbraw/zinc/29/50/11/682295011.db2.gz	AFLZERVGLKDXPQ-UHFFFAOYSA-N	1	1	351.491	2.400	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2	ZINC000852525900	682295016	/nfs/dbraw/zinc/29/50/16/682295016.db2.gz	AFLZERVGLKDXPQ-UHFFFAOYSA-N	1	1	351.491	2.400	20	30		FEEDMO
C#CCC[N@@H+](CCOC)CC(=O)N(C)Cc1cc(Br)cs1	ZINC000852752211	682335501	/nfs/dbraw/zinc/33/55/01/682335501.db2.gz	QGKCJZCQUXSMLI-UHFFFAOYSA-N	1	1	373.316	2.441	20	30		FEEDMO
C#CCC[N@H+](CCOC)CC(=O)N(C)Cc1cc(Br)cs1	ZINC000852752211	682335504	/nfs/dbraw/zinc/33/55/04/682335504.db2.gz	QGKCJZCQUXSMLI-UHFFFAOYSA-N	1	1	373.316	2.441	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCC(C)C)CCO2	ZINC000972391872	682412533	/nfs/dbraw/zinc/41/25/33/682412533.db2.gz	DOIFUWGOLODEHQ-WSTZPKSXSA-N	1	1	350.503	2.317	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)C1CCC(F)(F)CC1	ZINC000788700388	682551914	/nfs/dbraw/zinc/55/19/14/682551914.db2.gz	MPXDLQUQBHXHKA-UHFFFAOYSA-N	1	1	362.490	2.374	20	30		FEEDMO
COCC[N@H+]1CCC[C@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000790596590	682687316	/nfs/dbraw/zinc/68/73/16/682687316.db2.gz	GOFBJOBANUGVDU-INIZCTEOSA-N	1	1	354.372	2.284	20	30		FEEDMO
CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3sccc3CC#N)C2)[C@@H]1C(C)C	ZINC000926264256	683100864	/nfs/dbraw/zinc/10/08/64/683100864.db2.gz	FLGGUFHUHVEJNB-RRIFGTCXSA-N	1	1	361.511	2.414	20	30		FEEDMO
N#Cc1ccccc1C(F)(F)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000928079444	683372283	/nfs/dbraw/zinc/37/22/83/683372283.db2.gz	YPBCXIWEUUIORJ-HUUCEWRRSA-N	1	1	351.422	2.346	20	30		FEEDMO
N#Cc1ccccc1C(F)(F)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12	ZINC000928079444	683372290	/nfs/dbraw/zinc/37/22/90/683372290.db2.gz	YPBCXIWEUUIORJ-HUUCEWRRSA-N	1	1	351.422	2.346	20	30		FEEDMO
COCC(=NNCCC[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1	ZINC000799486660	683459773	/nfs/dbraw/zinc/45/97/73/683459773.db2.gz	KAHPVTRSLUSJIN-UHFFFAOYSA-N	1	1	359.392	2.368	20	30		FEEDMO
Clc1ccccc1Cn1cc(C=NNCCC[NH+]2CCOCC2)cn1	ZINC000799489026	683460172	/nfs/dbraw/zinc/46/01/72/683460172.db2.gz	ZSEGUOIJFBQWSE-UHFFFAOYSA-N	1	1	361.877	2.231	20	30		FEEDMO
N#CC1(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCSCC1	ZINC000929325262	683579384	/nfs/dbraw/zinc/57/93/84/683579384.db2.gz	HXCUFPSIAJVGLW-UHFFFAOYSA-N	1	1	351.516	2.175	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@@H+](CC)[C@@H](C)CS(=O)(=O)CC)cc1	ZINC000929641866	683622322	/nfs/dbraw/zinc/62/23/22/683622322.db2.gz	WNNVBTDILAZIRN-HNNXBMFYSA-N	1	1	350.484	2.142	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@H+](CC)[C@@H](C)CS(=O)(=O)CC)cc1	ZINC000929641866	683622326	/nfs/dbraw/zinc/62/23/26/683622326.db2.gz	WNNVBTDILAZIRN-HNNXBMFYSA-N	1	1	350.484	2.142	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc(NC(C)=O)c(F)cc2F)C1	ZINC000929984312	683665294	/nfs/dbraw/zinc/66/52/94/683665294.db2.gz	OHOUCZVPCGDMIU-GFCCVEGCSA-N	1	1	350.369	2.142	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(NC(C)=O)c(F)cc2F)C1	ZINC000929984312	683665297	/nfs/dbraw/zinc/66/52/97/683665297.db2.gz	OHOUCZVPCGDMIU-GFCCVEGCSA-N	1	1	350.369	2.142	20	30		FEEDMO
CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(C#N)ccc1Br	ZINC000922130937	683666181	/nfs/dbraw/zinc/66/61/81/683666181.db2.gz	JCJUMTQTGHGYET-ZDUSSCGKSA-N	1	1	356.289	2.278	20	30		FEEDMO
CCOC(=O)CNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1	ZINC000930058452	683674764	/nfs/dbraw/zinc/67/47/64/683674764.db2.gz	OYVDOIWKMYQSFJ-UHFFFAOYSA-N	1	1	363.845	2.103	20	30		FEEDMO
COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1	ZINC000930451041	683735659	/nfs/dbraw/zinc/73/56/59/683735659.db2.gz	KTRDVGSKXGVCCB-IUCAKERBSA-N	1	1	373.240	2.362	20	30		FEEDMO
COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1	ZINC000930451041	683735660	/nfs/dbraw/zinc/73/56/60/683735660.db2.gz	KTRDVGSKXGVCCB-IUCAKERBSA-N	1	1	373.240	2.362	20	30		FEEDMO
C[C@@](O)(C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C(F)(F)C(F)(F)F	ZINC000930541958	683749362	/nfs/dbraw/zinc/74/93/62/683749362.db2.gz	QRPYNILNTGDVTH-WCQYABFASA-N	1	1	365.302	2.355	20	30		FEEDMO
C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@](C)(O)C(F)(F)C(F)(F)F	ZINC000930844889	683791866	/nfs/dbraw/zinc/79/18/66/683791866.db2.gz	HNJXYXPEHBRNGE-OLZOCXBDSA-N	1	1	352.303	2.472	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1	ZINC000931146747	683841947	/nfs/dbraw/zinc/84/19/47/683841947.db2.gz	IWPDUZDYDXMNSM-AWEZNQCLSA-N	1	1	357.479	2.103	20	30		FEEDMO
C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cccc(C#N)c1O	ZINC000866380704	684096091	/nfs/dbraw/zinc/09/60/91/684096091.db2.gz	JAWLOGRFJOKJKS-OCCSQVGLSA-N	1	1	358.419	2.149	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1	ZINC000923565259	684306582	/nfs/dbraw/zinc/30/65/82/684306582.db2.gz	FBLGAZFTNDSSJN-GFCCVEGCSA-N	1	1	353.325	2.024	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1	ZINC000923565259	684306591	/nfs/dbraw/zinc/30/65/91/684306591.db2.gz	FBLGAZFTNDSSJN-GFCCVEGCSA-N	1	1	353.325	2.024	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2I)C1	ZINC000923596648	684311346	/nfs/dbraw/zinc/31/13/46/684311346.db2.gz	KBAITJYHYAMGHQ-LBPRGKRZSA-N	1	1	368.218	2.119	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2I)C1	ZINC000923596648	684311347	/nfs/dbraw/zinc/31/13/47/684311347.db2.gz	KBAITJYHYAMGHQ-LBPRGKRZSA-N	1	1	368.218	2.119	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1	ZINC000867874119	684415948	/nfs/dbraw/zinc/41/59/48/684415948.db2.gz	YCCHDQSCSZIAJO-HZSPNIEDSA-N	1	1	357.882	2.042	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000872663890	685000190	/nfs/dbraw/zinc/00/01/90/685000190.db2.gz	PLMNRBCDSCAULU-HUUCEWRRSA-N	1	1	373.400	2.434	20	30		FEEDMO
N#Cc1cnc(Cl)c(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000877059097	686319798	/nfs/dbraw/zinc/31/97/98/686319798.db2.gz	QOWASNVVNXOEQQ-IBGZPJMESA-N	1	1	356.857	2.333	20	30		FEEDMO
C#CCCN1CC[NH+](C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1	ZINC000878313450	686563342	/nfs/dbraw/zinc/56/33/42/686563342.db2.gz	GUMMOQZGVVEHQU-INIZCTEOSA-N	1	1	357.281	2.374	20	30		FEEDMO
CN(C[C@@H](O)C[N@H+](C)Cc1cccc(C#N)c1F)C(=O)OC(C)(C)C	ZINC000879081665	686733121	/nfs/dbraw/zinc/73/31/21/686733121.db2.gz	MLTYCHNBQMLOPV-HNNXBMFYSA-N	1	1	351.422	2.357	20	30		FEEDMO
CN(C[C@@H](O)C[N@@H+](C)Cc1cccc(C#N)c1F)C(=O)OC(C)(C)C	ZINC000879081665	686733126	/nfs/dbraw/zinc/73/31/26/686733126.db2.gz	MLTYCHNBQMLOPV-HNNXBMFYSA-N	1	1	351.422	2.357	20	30		FEEDMO
CN(C[C@@H](O)C[N@@H+](C)Cc1ccc(F)c(C#N)c1)C(=O)OC(C)(C)C	ZINC000879084903	686735042	/nfs/dbraw/zinc/73/50/42/686735042.db2.gz	XSXTXNOFGQSRFK-HNNXBMFYSA-N	1	1	351.422	2.357	20	30		FEEDMO
C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+](C)CCc1cccc(C#N)c1	ZINC000879433944	686820135	/nfs/dbraw/zinc/82/01/35/686820135.db2.gz	KWWLEEWZKPMCGV-GFCCVEGCSA-N	1	1	356.451	2.220	20	30		FEEDMO
C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+](C)CCc1cccc(C#N)c1	ZINC000879433944	686820145	/nfs/dbraw/zinc/82/01/45/686820145.db2.gz	KWWLEEWZKPMCGV-GFCCVEGCSA-N	1	1	356.451	2.220	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)cc1	ZINC000880045427	686983917	/nfs/dbraw/zinc/98/39/17/686983917.db2.gz	XEXPMVJCRVXCOR-HOCLYGCPSA-N	1	1	358.360	2.146	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](C(F)(F)F)CC2)cc1	ZINC000880045427	686983920	/nfs/dbraw/zinc/98/39/20/686983920.db2.gz	XEXPMVJCRVXCOR-HOCLYGCPSA-N	1	1	358.360	2.146	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CC[C@H](C(F)(F)F)O1	ZINC000880065220	686992143	/nfs/dbraw/zinc/99/21/43/686992143.db2.gz	RZLGYXDDEPJABV-MGPQQGTHSA-N	1	1	350.381	2.099	20	30		FEEDMO
CO[C@@H]1COCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000880430395	687047805	/nfs/dbraw/zinc/04/78/05/687047805.db2.gz	MFUHJLKQXHUCIA-HZPDHXFCSA-N	1	1	351.834	2.276	20	30		FEEDMO
CCN1CC[NH+](CCCNc2ncc(C#N)cc2Br)CC1	ZINC000881803691	687221232	/nfs/dbraw/zinc/22/12/32/687221232.db2.gz	DGBHUOVNLCZIJJ-UHFFFAOYSA-N	1	1	352.280	2.155	20	30		FEEDMO
N#Cc1cnc(N2CC[NH+](CC3CCOCC3)CC2)c(Br)c1	ZINC000881996140	687281032	/nfs/dbraw/zinc/28/10/32/687281032.db2.gz	KLXSVAJLLJYYRI-UHFFFAOYSA-N	1	1	365.275	2.264	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCNC(=O)Nc2ccc(Br)c(C#N)n2)C1	ZINC000883093599	687562743	/nfs/dbraw/zinc/56/27/43/687562743.db2.gz	ACQUTSCZGIEBSA-SNVBAGLBSA-N	1	1	352.236	2.179	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Br)c(C#N)n3)CC[C@H]21	ZINC000883121966	687572188	/nfs/dbraw/zinc/57/21/88/687572188.db2.gz	WMQTYZVMJWCXGC-ZWNOBZJWSA-N	1	1	364.247	2.274	20	30		FEEDMO
O=C(C[N@H+]1C[C@@H]2CSC[C@@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000886564184	688275517	/nfs/dbraw/zinc/27/55/17/688275517.db2.gz	PBOMLALYSQQOGA-GASCZTMLSA-N	1	1	368.424	2.468	20	30		FEEDMO
CC[N@@H+]1CCO[C@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	ZINC000504252385	688422974	/nfs/dbraw/zinc/42/29/74/688422974.db2.gz	UUYIRAKJMSMPBY-HNNXBMFYSA-N	1	1	359.817	2.057	20	30		FEEDMO
CC[N@H+]1CCO[C@H](C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1	ZINC000504252385	688422977	/nfs/dbraw/zinc/42/29/77/688422977.db2.gz	UUYIRAKJMSMPBY-HNNXBMFYSA-N	1	1	359.817	2.057	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(Cc3nc(Br)c[nH]3)CC2)cc1	ZINC000891495594	689069823	/nfs/dbraw/zinc/06/98/23/689069823.db2.gz	QKHDZDPFHVTDEK-UHFFFAOYSA-N	1	1	360.259	2.362	20	30		FEEDMO
Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1CCCN(O)C1=O	ZINC000895166379	689670527	/nfs/dbraw/zinc/67/05/27/689670527.db2.gz	QBIIFQPGGRSCEM-OAHLLOKOSA-N	1	1	350.369	2.237	20	30		FEEDMO
C[C@H](NC(=O)c1c(Cl)cc(C#N)cc1Cl)[C@@H]1C[N@@H+](C)CCN1C	ZINC000900801169	690564149	/nfs/dbraw/zinc/56/41/49/690564149.db2.gz	BJENEGDEFYUZII-HZMBPMFUSA-N	1	1	355.269	2.229	20	30		FEEDMO
C[C@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1cc(C#N)ccn1	ZINC000903327290	690882652	/nfs/dbraw/zinc/88/26/52/690882652.db2.gz	ZLRUCFAKQJJQOP-LKFCYVNXSA-N	1	1	372.226	2.325	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2nc(C#N)cs2)c(OC)c1	ZINC000905654641	691156913	/nfs/dbraw/zinc/15/69/13/691156913.db2.gz	HCAVWGKNSHQMMH-OAHLLOKOSA-N	1	1	359.451	2.281	20	30		FEEDMO
CN1CC[N@@H+](C)CC(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)C1	ZINC000906630400	691294452	/nfs/dbraw/zinc/29/44/52/691294452.db2.gz	QFLXGAIANGZVLZ-HNNXBMFYSA-N	1	1	355.269	2.168	20	30		FEEDMO
CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1	ZINC000906919039	691343225	/nfs/dbraw/zinc/34/32/25/691343225.db2.gz	BGDWYXANMVBXSF-UHFFFAOYSA-N	1	1	372.288	2.037	20	30		FEEDMO
CC[N@H+]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1	ZINC000906919039	691343228	/nfs/dbraw/zinc/34/32/28/691343228.db2.gz	BGDWYXANMVBXSF-UHFFFAOYSA-N	1	1	372.288	2.037	20	30		FEEDMO
C=CCn1c(-c2cnsn2)nnc1N1CC[NH+](Cc2ccsc2)CC1	ZINC000908714562	691717448	/nfs/dbraw/zinc/71/74/48/691717448.db2.gz	KDISYPNLXQKAKQ-UHFFFAOYSA-N	1	1	373.511	2.366	20	30		FEEDMO
COc1cc(C#N)nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1	ZINC001164648347	719311983	/nfs/dbraw/zinc/31/19/83/719311983.db2.gz	IICTXJCDWOLWCE-UHFFFAOYSA-N	1	1	354.458	2.364	20	30		FEEDMO
Cc1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)ccc1C#N	ZINC001164812364	720228534	/nfs/dbraw/zinc/22/85/34/720228534.db2.gz	GQGBUOLRDWAIGR-UHFFFAOYSA-N	1	1	366.469	2.069	20	30		FEEDMO
N#Cc1cc2c(nc1N1CC[C@@H]3[C@@H]1CC[N@H+]3Cc1cccnc1)CCOC2	ZINC001164735888	720465103	/nfs/dbraw/zinc/46/51/03/720465103.db2.gz	ZAAMEJDARPQYKF-UXHICEINSA-N	1	1	361.449	2.274	20	30		FEEDMO
CCc1nc(C#N)c(C#N)nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164724809	720473214	/nfs/dbraw/zinc/47/32/14/720473214.db2.gz	HVLJDZZRCGMRBC-RTBURBONSA-N	1	1	359.437	2.031	20	30		FEEDMO
C=CC[NH+]1CCN(c2ncnc3c2ncn3Cc2ccccc2F)CC1	ZINC001165032156	721868181	/nfs/dbraw/zinc/86/81/81/721868181.db2.gz	KCOVGSRLCOWDOQ-UHFFFAOYSA-N	1	1	352.417	2.322	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)Cc1cc(OC)ccc1Br	ZINC000818605991	675228054	/nfs/dbraw/zinc/22/80/54/675228054.db2.gz	AQIPGLOBTHBYFD-UHFFFAOYSA-N	1	1	353.260	2.072	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc4n[nH]nc4c3)CC2)cc1	ZINC000023451046	539715062	/nfs/dbraw/zinc/71/50/62/539715062.db2.gz	CCXGTTZVSBRTCU-UHFFFAOYSA-N	1	1	360.421	2.178	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4n[nH]nc4c3)CC2)cc1	ZINC000023451046	539715067	/nfs/dbraw/zinc/71/50/67/539715067.db2.gz	CCXGTTZVSBRTCU-UHFFFAOYSA-N	1	1	360.421	2.178	20	30		FEEDMO
Cc1cccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c1	ZINC000025226491	539751854	/nfs/dbraw/zinc/75/18/54/539751854.db2.gz	BNTKWMLRFVLJDG-NRFANRHFSA-N	1	1	365.477	2.424	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3cccs3)CC2)cc1	ZINC000025232209	539751896	/nfs/dbraw/zinc/75/18/96/539751896.db2.gz	GOYLLCLXRFSCMG-KRWDZBQOSA-N	1	1	357.479	2.177	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3cccs3)CC2)cc1	ZINC000025232303	539752209	/nfs/dbraw/zinc/75/22/09/539752209.db2.gz	OIYMCAZAPQBMAN-SFHVURJKSA-N	1	1	371.506	2.372	20	30		FEEDMO
C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O	ZINC000028922724	539839651	/nfs/dbraw/zinc/83/96/51/539839651.db2.gz	PYZCVDLCNAAHTQ-QGZVFWFLSA-N	1	1	350.418	2.332	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH+]1CCC(NC(=O)c2cccc(OC)c2)CC1	ZINC000042155646	540053593	/nfs/dbraw/zinc/05/35/93/540053593.db2.gz	XDUVQMHHJZPQTF-UHFFFAOYSA-N	1	1	371.481	2.090	20	30		FEEDMO
C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)Cc1cccc(C#N)c1	ZINC000046518663	540261103	/nfs/dbraw/zinc/26/11/03/540261103.db2.gz	CWXUIEBNJYXQBS-QGZVFWFLSA-N	1	1	363.465	2.122	20	30		FEEDMO
C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000046518663	540261106	/nfs/dbraw/zinc/26/11/06/540261106.db2.gz	CWXUIEBNJYXQBS-QGZVFWFLSA-N	1	1	363.465	2.122	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1	ZINC000047415455	540308524	/nfs/dbraw/zinc/30/85/24/540308524.db2.gz	DKPYFOIWBGCIBB-UONOGXRCSA-N	1	1	358.486	2.033	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1ccc(C#N)cc1	ZINC000052581222	540474924	/nfs/dbraw/zinc/47/49/24/540474924.db2.gz	PISSZAYXVLOLCF-UHFFFAOYSA-N	1	1	368.506	2.396	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1ccc(C#N)cc1	ZINC000052581222	540474926	/nfs/dbraw/zinc/47/49/26/540474926.db2.gz	PISSZAYXVLOLCF-UHFFFAOYSA-N	1	1	368.506	2.396	20	30		FEEDMO
C=CC[NH+](CC=C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000052869349	540496039	/nfs/dbraw/zinc/49/60/39/540496039.db2.gz	COONMJDCHOFWGM-GOSISDBHSA-N	1	1	355.438	2.042	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCOc1cccc(Cl)c1	ZINC000053742207	540551962	/nfs/dbraw/zinc/55/19/62/540551962.db2.gz	XNIGILKWKZPFOQ-ZDUSSCGKSA-N	1	1	353.850	2.441	20	30		FEEDMO
CC[NH+]1CCC(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000053975477	540562486	/nfs/dbraw/zinc/56/24/86/540562486.db2.gz	ZUARBCHASHEFNI-UHFFFAOYSA-N	1	1	369.513	2.260	20	30		FEEDMO
CCCCn1nnnc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000055172087	540632687	/nfs/dbraw/zinc/63/26/87/540632687.db2.gz	SMMWJEQTHCNHOB-UHFFFAOYSA-N	1	1	353.474	2.053	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N2CCC(C#N)CC2)CC1	ZINC000060990237	541124357	/nfs/dbraw/zinc/12/43/57/541124357.db2.gz	KAGHHDHBXPWCTN-UHFFFAOYSA-N	1	1	369.513	2.269	20	30		FEEDMO
COCC[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)Cc1ccc(C#N)cc1	ZINC000063753464	541183914	/nfs/dbraw/zinc/18/39/14/541183914.db2.gz	XROYWDKHFCNGQQ-UHFFFAOYSA-N	1	1	362.433	2.486	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1	ZINC000064634557	541214034	/nfs/dbraw/zinc/21/40/34/541214034.db2.gz	HLMMWXHQKPEOQS-UHFFFAOYSA-N	1	1	367.409	2.453	20	30		FEEDMO
C=C(Br)CN1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1	ZINC000066666900	541357553	/nfs/dbraw/zinc/35/75/53/541357553.db2.gz	HZEYABMLDXHSPY-UHFFFAOYSA-N	1	1	358.324	2.161	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1	ZINC000067345251	541447211	/nfs/dbraw/zinc/44/72/11/541447211.db2.gz	IZFADYPCIWRGJU-HOTGVXAUSA-N	1	1	359.470	2.427	20	30		FEEDMO
Cc1c(Cl)cnc(NCCC[NH+]2CCN(c3ncccn3)CC2)c1C#N	ZINC000544068905	541709699	/nfs/dbraw/zinc/70/96/99/541709699.db2.gz	DWHXEWNBUOGFSS-UHFFFAOYSA-N	1	1	371.876	2.329	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1	ZINC000070758270	541741811	/nfs/dbraw/zinc/74/18/11/541741811.db2.gz	LCUGOXZJTYRYIO-FQEVSTJZSA-N	1	1	358.486	2.009	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1	ZINC000070758270	541741813	/nfs/dbraw/zinc/74/18/13/541741813.db2.gz	LCUGOXZJTYRYIO-FQEVSTJZSA-N	1	1	358.486	2.009	20	30		FEEDMO
C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000072553345	541831021	/nfs/dbraw/zinc/83/10/21/541831021.db2.gz	OABNLZPNQNKUBV-UHFFFAOYSA-N	1	1	373.906	2.427	20	30		FEEDMO
C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000072553345	541831025	/nfs/dbraw/zinc/83/10/25/541831025.db2.gz	OABNLZPNQNKUBV-UHFFFAOYSA-N	1	1	373.906	2.427	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)C[C@@H]1COc2ccccc2O1	ZINC000072535434	541828124	/nfs/dbraw/zinc/82/81/24/541828124.db2.gz	IFLFMIZICLMENJ-HZPDHXFCSA-N	1	1	357.454	2.489	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@@H]1COc2ccccc2O1	ZINC000072535434	541828126	/nfs/dbraw/zinc/82/81/26/541828126.db2.gz	IFLFMIZICLMENJ-HZPDHXFCSA-N	1	1	357.454	2.489	20	30		FEEDMO
CCC[C@@]1(C)CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000072896282	541891103	/nfs/dbraw/zinc/89/11/03/541891103.db2.gz	FYFMXINYTICVCO-FQEVSTJZSA-N	1	1	373.501	2.406	20	30		FEEDMO
CNC(=O)C1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1	ZINC000073158163	541926364	/nfs/dbraw/zinc/92/63/64/541926364.db2.gz	JOKOVCRQOBRRRR-UHFFFAOYSA-N	1	1	352.438	2.196	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000074656846	542108623	/nfs/dbraw/zinc/10/86/23/542108623.db2.gz	DPPMISNZQZHMED-LJQANCHMSA-N	1	1	358.530	2.310	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@H](C)c2cccc(C#N)c2)CC1	ZINC000074659205	542109949	/nfs/dbraw/zinc/10/99/49/542109949.db2.gz	NPMPQPUKMBJPRA-DLBZAZTESA-N	1	1	357.502	2.192	20	30		FEEDMO
C[C@@H](NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1cccc(C#N)c1	ZINC000074917968	542135979	/nfs/dbraw/zinc/13/59/79/542135979.db2.gz	GARCSCLKRQCRTP-APWZRJJASA-N	1	1	355.486	2.041	20	30		FEEDMO
C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1cccc(C#N)c1	ZINC000074917544	542136339	/nfs/dbraw/zinc/13/63/39/542136339.db2.gz	OLZPRGCQKAKKKK-MRXNPFEDSA-N	1	1	357.502	2.287	20	30		FEEDMO
C[C@@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1cccc(C#N)c1	ZINC000074917544	542136343	/nfs/dbraw/zinc/13/63/43/542136343.db2.gz	OLZPRGCQKAKKKK-MRXNPFEDSA-N	1	1	357.502	2.287	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)c1	ZINC000075791361	542203569	/nfs/dbraw/zinc/20/35/69/542203569.db2.gz	HRWJWGILOCQOEV-UHFFFAOYSA-N	1	1	370.478	2.037	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1	ZINC000076000246	542223332	/nfs/dbraw/zinc/22/33/32/542223332.db2.gz	QOHDRDVHSSCTRL-GOSISDBHSA-N	1	1	359.470	2.030	20	30		FEEDMO
N#Cc1cc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)ccc1F	ZINC000076880526	542327458	/nfs/dbraw/zinc/32/74/58/542327458.db2.gz	NCSHKYNMLDJEHO-UHFFFAOYSA-N	1	1	352.413	2.454	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccncc2)CC1	ZINC000076969276	542337833	/nfs/dbraw/zinc/33/78/33/542337833.db2.gz	FUBRWADBFJJAHN-KRWDZBQOSA-N	1	1	358.486	2.043	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccncc2)CC1	ZINC000076969276	542337838	/nfs/dbraw/zinc/33/78/38/542337838.db2.gz	FUBRWADBFJJAHN-KRWDZBQOSA-N	1	1	358.486	2.043	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)c(F)c1	ZINC000076982096	542338620	/nfs/dbraw/zinc/33/86/20/542338620.db2.gz	NDFLAMXFSVCMEV-QGZVFWFLSA-N	1	1	371.460	2.013	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000077371650	542374133	/nfs/dbraw/zinc/37/41/33/542374133.db2.gz	YAFYDFMNDPVIQI-UTKZUKDTSA-N	1	1	354.498	2.391	20	30		FEEDMO
N#CC1(NC(=O)CNc2ccccc2C[NH+]2CCOCC2)CCCCC1	ZINC000079183396	542505717	/nfs/dbraw/zinc/50/57/17/542505717.db2.gz	XOAOQONVLNUUJS-UHFFFAOYSA-N	1	1	356.470	2.273	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)N1CCCN(c2ccc(C#N)cc2)CC1	ZINC000080053076	542560798	/nfs/dbraw/zinc/56/07/98/542560798.db2.gz	HFEPLAQCGWGTOA-UHFFFAOYSA-N	1	1	366.469	2.375	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)C1	ZINC000080210580	542575185	/nfs/dbraw/zinc/57/51/85/542575185.db2.gz	MGFPQBBKOUUFCZ-UYAOXDASSA-N	1	1	373.497	2.435	20	30		FEEDMO
CO[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C(C)C	ZINC000080603473	542595970	/nfs/dbraw/zinc/59/59/70/542595970.db2.gz	TWHCIYWSTPMRTQ-LJQANCHMSA-N	1	1	358.486	2.447	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000083178419	542693962	/nfs/dbraw/zinc/69/39/62/542693962.db2.gz	QVLLYFLNSATHPG-JKSUJKDBSA-N	1	1	372.494	2.059	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)C1=O	ZINC000083178419	542693965	/nfs/dbraw/zinc/69/39/65/542693965.db2.gz	QVLLYFLNSATHPG-JKSUJKDBSA-N	1	1	372.494	2.059	20	30		FEEDMO
COc1ccccc1NC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000084881063	542722191	/nfs/dbraw/zinc/72/21/91/542722191.db2.gz	TYOVWUVVOXDFKS-HXUWFJFHSA-N	1	1	356.470	2.380	20	30		FEEDMO
CCS[C@H]1CCCC[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1	ZINC000092618634	542875570	/nfs/dbraw/zinc/87/55/70/542875570.db2.gz	PMKXNWHHCRMHKF-ROUUACIJSA-N	1	1	366.575	2.286	20	30		FEEDMO
COc1cc(C#N)ccc1C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1	ZINC000093260986	542921782	/nfs/dbraw/zinc/92/17/82/542921782.db2.gz	WNYSWAZJKBEBCT-UHFFFAOYSA-N	1	1	366.421	2.104	20	30		FEEDMO
CCCNC(=O)CCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000104138174	543124259	/nfs/dbraw/zinc/12/42/59/543124259.db2.gz	ZXZMWSOMXODVPY-UHFFFAOYSA-N	1	1	370.497	2.289	20	30		FEEDMO
COc1cc[nH+]c(N2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)c1	ZINC000104719610	543139069	/nfs/dbraw/zinc/13/90/69/543139069.db2.gz	MEKLPIUTDWKTDK-OAHLLOKOSA-N	1	1	365.437	2.111	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@@H]1CCCN1c1cccnn1	ZINC000106087250	543193595	/nfs/dbraw/zinc/19/35/95/543193595.db2.gz	BDZULLLLLCDDHQ-IRXDYDNUSA-N	1	1	370.501	2.108	20	30		FEEDMO
COCC[N@@H+](C)CC[C@@H](NC(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000107477156	543271170	/nfs/dbraw/zinc/27/11/70/543271170.db2.gz	FZEYNQFAZUELEY-GOSISDBHSA-N	1	1	352.438	2.393	20	30		FEEDMO
C=CC[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1ccccc1	ZINC000109105284	543314236	/nfs/dbraw/zinc/31/42/36/543314236.db2.gz	NFYKNQGJMZXJIH-UHFFFAOYSA-N	1	1	373.478	2.351	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1	ZINC000109093652	543314268	/nfs/dbraw/zinc/31/42/68/543314268.db2.gz	QTBICPLEQRSLLH-GOSISDBHSA-N	1	1	366.421	2.261	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000111693692	543412565	/nfs/dbraw/zinc/41/25/65/543412565.db2.gz	SMEUEHLJLPGAAI-AWEZNQCLSA-N	1	1	362.861	2.045	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000111693692	543412569	/nfs/dbraw/zinc/41/25/69/543412569.db2.gz	SMEUEHLJLPGAAI-AWEZNQCLSA-N	1	1	362.861	2.045	20	30		FEEDMO
O=C(NCCC[NH+]1CCOCC1)Nc1cccc(C#Cc2ccccn2)c1	ZINC000111770482	543415238	/nfs/dbraw/zinc/41/52/38/543415238.db2.gz	PKNLDQMEGZMDCI-UHFFFAOYSA-N	1	1	364.449	2.325	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C	ZINC000118105489	543645704	/nfs/dbraw/zinc/64/57/04/543645704.db2.gz	LQHZXCFFSGADRQ-KBPBESRZSA-N	1	1	360.483	2.087	20	30		FEEDMO
C[C@H]1CCC[N@H+]1C1CCN(C(=O)C(=O)Nc2ccc(CC#N)cc2)CC1	ZINC000121800868	543699620	/nfs/dbraw/zinc/69/96/20/543699620.db2.gz	CNRPIJXWNNVRAD-HNNXBMFYSA-N	1	1	354.454	2.166	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)[C@H](C)C1	ZINC000119799922	543671760	/nfs/dbraw/zinc/67/17/60/543671760.db2.gz	GETBNAQNIWWEIX-VYDXJSESSA-N	1	1	372.469	2.105	20	30		FEEDMO
Cc1ccc(N2CCC(NC(=O)C#Cc3ccc4c(c3)OCO4)CC2)[nH+]c1	ZINC000120335659	543678720	/nfs/dbraw/zinc/67/87/20/543678720.db2.gz	ROXOPCSBKRHCJL-UHFFFAOYSA-N	1	1	363.417	2.255	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1	ZINC000122818479	543725624	/nfs/dbraw/zinc/72/56/24/543725624.db2.gz	OQLUZDFGBPBMDR-KXBFYZLASA-N	1	1	362.433	2.276	20	30		FEEDMO
C=CCNC(=O)CN1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1	ZINC000122238482	543705136	/nfs/dbraw/zinc/70/51/36/543705136.db2.gz	ZBTNCGUWDGOXIB-UHFFFAOYSA-N	1	1	372.557	2.064	20	30		FEEDMO
N#Cc1cc(F)c(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c(F)c1	ZINC000123264179	543751211	/nfs/dbraw/zinc/75/12/11/543751211.db2.gz	DIXXETPDHXSIQJ-UHFFFAOYSA-N	1	1	369.437	2.475	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(C)(C)CN1CCOCC1	ZINC000124313274	543813283	/nfs/dbraw/zinc/81/32/83/543813283.db2.gz	XLAMRVZNYPCKEG-UHFFFAOYSA-N	1	1	358.486	2.177	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000124009446	543796441	/nfs/dbraw/zinc/79/64/41/543796441.db2.gz	VJHCNVURKLUWMS-DLBZAZTESA-N	1	1	362.518	2.346	20	30		FEEDMO
CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000125724524	543898130	/nfs/dbraw/zinc/89/81/30/543898130.db2.gz	OPXVZIRPXFRBCF-CYBMUJFWSA-N	1	1	357.426	2.331	20	30		FEEDMO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)[C@H](C)CO)c1C#N	ZINC000132145194	544220686	/nfs/dbraw/zinc/22/06/86/544220686.db2.gz	YBAAJUIQZGNEQU-CYBMUJFWSA-N	1	1	372.444	2.415	20	30		FEEDMO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)[C@H](C)CO)c1C#N	ZINC000132145194	544220687	/nfs/dbraw/zinc/22/06/87/544220687.db2.gz	YBAAJUIQZGNEQU-CYBMUJFWSA-N	1	1	372.444	2.415	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)cc1	ZINC000132568822	544236375	/nfs/dbraw/zinc/23/63/75/544236375.db2.gz	XBNXDZYRMGUUDO-GOSISDBHSA-N	1	1	363.465	2.436	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCc4n[nH]cc43)CC2)cc1	ZINC000132568822	544236378	/nfs/dbraw/zinc/23/63/78/544236378.db2.gz	XBNXDZYRMGUUDO-GOSISDBHSA-N	1	1	363.465	2.436	20	30		FEEDMO
C=CCOc1ccccc1C[NH+]1CCN(c2ncccc2C(N)=O)CC1	ZINC000133165963	544258545	/nfs/dbraw/zinc/25/85/45/544258545.db2.gz	FRFWJUAJFQOUCT-UHFFFAOYSA-N	1	1	352.438	2.068	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(OC2CCOCC2)CC1)C1(C#N)CCCCC1	ZINC000133746046	544281810	/nfs/dbraw/zinc/28/18/10/544281810.db2.gz	SPKSBUVJSCNDMC-UHFFFAOYSA-N	1	1	363.502	2.331	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1	ZINC000134127785	544294954	/nfs/dbraw/zinc/29/49/54/544294954.db2.gz	STPRTESXLMGVSS-MRXNPFEDSA-N	1	1	359.470	2.380	20	30		FEEDMO
COC(=O)[C@@H](O)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000135384941	544345213	/nfs/dbraw/zinc/34/52/13/544345213.db2.gz	OUVPFOXFQCZSFM-INIZCTEOSA-N	1	1	371.355	2.183	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1	ZINC000136039483	544365659	/nfs/dbraw/zinc/36/56/59/544365659.db2.gz	QKHXGOOUGDUBFG-ZDUSSCGKSA-N	1	1	360.433	2.263	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1C#N	ZINC000150712461	544463792	/nfs/dbraw/zinc/46/37/92/544463792.db2.gz	UZOGYDRPZGTDCN-CYBMUJFWSA-N	1	1	374.510	2.251	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)c(F)c1	ZINC000151078600	544503021	/nfs/dbraw/zinc/50/30/21/544503021.db2.gz	GVLRMMVWNUZKJV-UHFFFAOYSA-N	1	1	374.441	2.035	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N3CCC(C#N)CC3)C2)cc(OC)c1	ZINC000151507909	544550974	/nfs/dbraw/zinc/55/09/74/544550974.db2.gz	GGBGYUDONAVGLT-QGZVFWFLSA-N	1	1	372.469	2.223	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)N3CCC(C#N)CC3)C2)cc(OC)c1	ZINC000151507909	544550977	/nfs/dbraw/zinc/55/09/77/544550977.db2.gz	GGBGYUDONAVGLT-QGZVFWFLSA-N	1	1	372.469	2.223	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2SCCC#N)C[N@H+]1C1CC1	ZINC000151866927	544590387	/nfs/dbraw/zinc/59/03/87/544590387.db2.gz	WSKNANWDTFBUAX-KBPBESRZSA-N	1	1	372.494	2.372	20	30		FEEDMO
C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153271610	544754986	/nfs/dbraw/zinc/75/49/86/544754986.db2.gz	RUASPGBWDSSPRY-AWEZNQCLSA-N	1	1	366.469	2.096	20	30		FEEDMO
C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccc(F)cc1	ZINC000153283029	544756342	/nfs/dbraw/zinc/75/63/42/544756342.db2.gz	ALNWEWLUHWRWEY-CHWSQXEVSA-N	1	1	372.448	2.133	20	30		FEEDMO
CCOc1cc(C#N)cc(Cl)c1OC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000153565689	544791980	/nfs/dbraw/zinc/79/19/80/544791980.db2.gz	BSDMIVDGJSSUEN-GUTXKFCHSA-N	1	1	368.861	2.459	20	30		FEEDMO
CCOc1cc(C#N)cc(Cl)c1OC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000153565689	544791983	/nfs/dbraw/zinc/79/19/83/544791983.db2.gz	BSDMIVDGJSSUEN-GUTXKFCHSA-N	1	1	368.861	2.459	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OCCCO)CC1	ZINC000154898558	544962979	/nfs/dbraw/zinc/96/29/79/544962979.db2.gz	ADBOKLHIXBLSJL-ZDUSSCGKSA-N	1	1	365.861	2.402	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](CCC(=O)OCc3ccccc3)CC2)nc1	ZINC000181437508	327730515	/nfs/dbraw/zinc/73/05/15/327730515.db2.gz	VHXGRRWIZGMOIZ-UHFFFAOYSA-N	1	1	350.422	2.209	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Cc1ccc(C#N)cc1	ZINC000188168947	328070753	/nfs/dbraw/zinc/07/07/53/328070753.db2.gz	RLYPGNGAUZGSFY-JOCHJYFZSA-N	1	1	363.461	2.196	20	30		FEEDMO
COC(=O)[C@H](C)C[N@@H+](C1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000192565716	328326260	/nfs/dbraw/zinc/32/62/60/328326260.db2.gz	UGDHXXAOTAQKMF-RDTXWAMCSA-N	1	1	355.438	2.327	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCS[C@H]4COCC[C@@H]43)C2=O)cc1	ZINC000192626152	328329269	/nfs/dbraw/zinc/32/92/69/328329269.db2.gz	JUOLYFLFSUAARE-BZSNNMDCSA-N	1	1	357.479	2.260	20	30		FEEDMO
C[C@]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)(C(N)=O)c1ccccc1	ZINC000192651433	328330968	/nfs/dbraw/zinc/33/09/68/328330968.db2.gz	MSIXJCSRBQOVLE-WIYYLYMNSA-N	1	1	362.433	2.044	20	30		FEEDMO
COc1ccnc(NC2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)n1	ZINC000192869045	328344249	/nfs/dbraw/zinc/34/42/49/328344249.db2.gz	YFQUIPDWXYISPX-UHFFFAOYSA-N	1	1	353.426	2.442	20	30		FEEDMO
COC(=O)[C@H](NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(C#N)c1	ZINC000083022670	325210700	/nfs/dbraw/zinc/21/07/00/325210700.db2.gz	PONXIMSIAAVJLO-LJQANCHMSA-N	1	1	371.481	2.397	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1cccc(Cl)c1	ZINC000089943619	325344100	/nfs/dbraw/zinc/34/41/00/325344100.db2.gz	PQXGPPGBBNKOLF-UHFFFAOYSA-N	1	1	360.849	2.410	20	30		FEEDMO
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943754	325344645	/nfs/dbraw/zinc/34/46/45/325344645.db2.gz	HYRLHNBHBFHNLP-LSDHHAIUSA-N	1	1	368.485	2.302	20	30		FEEDMO
Cn1cc[nH+]c1C[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000090004048	325349425	/nfs/dbraw/zinc/34/94/25/325349425.db2.gz	SLZNZTGHIPTQMN-KRWDZBQOSA-N	1	1	372.494	2.020	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH+]1CCN(c2nc(C)cc(C)n2)CC1	ZINC000161928783	327012906	/nfs/dbraw/zinc/01/29/06/327012906.db2.gz	ZNFSYJKNYKAKJW-UHFFFAOYSA-N	1	1	367.453	2.175	20	30		FEEDMO
CC1(C)C[N@H+](CCNC(=O)CCCCOc2cccc(C#N)c2)CCO1	ZINC000171771319	327160606	/nfs/dbraw/zinc/16/06/06/327160606.db2.gz	BHKXYXPDWUAZQP-UHFFFAOYSA-N	1	1	359.470	2.334	20	30		FEEDMO
CC1(C)C[N@@H+](CCNC(=O)CCCCOc2cccc(C#N)c2)CCO1	ZINC000171771319	327160607	/nfs/dbraw/zinc/16/06/07/327160607.db2.gz	BHKXYXPDWUAZQP-UHFFFAOYSA-N	1	1	359.470	2.334	20	30		FEEDMO
COC(=O)CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1CCCO1	ZINC000173752855	327281418	/nfs/dbraw/zinc/28/14/18/327281418.db2.gz	RQKICBHYMOQTCM-INIZCTEOSA-N	1	1	370.409	2.152	20	30		FEEDMO
COC(=O)CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1CCCO1	ZINC000173752855	327281419	/nfs/dbraw/zinc/28/14/19/327281419.db2.gz	RQKICBHYMOQTCM-INIZCTEOSA-N	1	1	370.409	2.152	20	30		FEEDMO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[N@H+](C)CCO1	ZINC000174612673	327338454	/nfs/dbraw/zinc/33/84/54/327338454.db2.gz	OFJBJHNAIWZKSU-KRWDZBQOSA-N	1	1	352.394	2.323	20	30		FEEDMO
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000174612673	327338455	/nfs/dbraw/zinc/33/84/55/327338455.db2.gz	OFJBJHNAIWZKSU-KRWDZBQOSA-N	1	1	352.394	2.323	20	30		FEEDMO
C[C@H](CCNS(=O)(=O)c1ccc(C#N)nc1)[N@@H+](C)Cc1ccccc1	ZINC000175334202	327387661	/nfs/dbraw/zinc/38/76/61/327387661.db2.gz	IIHMQSGYIVWWAR-OAHLLOKOSA-N	1	1	358.467	2.142	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2cccc(C#N)c2C)cn1	ZINC000178444832	327585499	/nfs/dbraw/zinc/58/54/99/327585499.db2.gz	CKYNHXAJPNLLAK-UHFFFAOYSA-N	1	1	374.404	2.011	20	30		FEEDMO
N#Cc1cccnc1N1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1	ZINC000247660199	328698238	/nfs/dbraw/zinc/69/82/38/328698238.db2.gz	RTHCXWZCGCLODB-UHFFFAOYSA-N	1	1	361.449	2.055	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2c(C#N)nnc3ccccc32)CC1	ZINC000265846594	329166088	/nfs/dbraw/zinc/16/60/88/329166088.db2.gz	PAVRRHBNCYAAQK-CALCHBBNSA-N	1	1	364.497	2.496	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N	ZINC000266549020	329235173	/nfs/dbraw/zinc/23/51/73/329235173.db2.gz	KBZUFDMJFYLNIJ-QGZVFWFLSA-N	1	1	362.433	2.196	20	30		FEEDMO
CC(C)S(=O)(=O)CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000267412963	329324615	/nfs/dbraw/zinc/32/46/15/329324615.db2.gz	ISEBICVJRMRQDZ-UHFFFAOYSA-N	1	1	363.483	2.032	20	30		FEEDMO
Cc1nc2sccn2c1C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000268104211	329385718	/nfs/dbraw/zinc/38/57/18/329385718.db2.gz	BQFBPCFNMZVDOT-HNNXBMFYSA-N	1	1	356.451	2.448	20	30		FEEDMO
Cc1nc2sccn2c1C[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1	ZINC000268104211	329385720	/nfs/dbraw/zinc/38/57/20/329385720.db2.gz	BQFBPCFNMZVDOT-HNNXBMFYSA-N	1	1	356.451	2.448	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NC[C@@]1(C)CCCO1	ZINC000328622549	523041920	/nfs/dbraw/zinc/04/19/20/523041920.db2.gz	ILSURVANRLFTKG-KVSKMBFKSA-N	1	1	363.506	2.218	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCc1cscn1	ZINC000328617197	523042881	/nfs/dbraw/zinc/04/28/81/523042881.db2.gz	CLLVFDLTYWWBJM-XJKSGUPXSA-N	1	1	362.503	2.306	20	30		FEEDMO
Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]CC(=O)NC2CCCCC2)CC(=O)N1C	ZINC000328617836	527663190	/nfs/dbraw/zinc/66/31/90/527663190.db2.gz	DCMLMFPYKFZMQI-DNVCBOLYSA-N	1	1	361.490	2.188	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c(F)c1	ZINC000478155106	561161031	/nfs/dbraw/zinc/16/10/31/561161031.db2.gz	MPKZIIWFSFZYQU-UHFFFAOYSA-N	1	1	351.447	2.087	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)[N@H+]3CCCC[C@@H]3C)cc2C1=O	ZINC000478671308	561172385	/nfs/dbraw/zinc/17/23/85/561172385.db2.gz	UMFFPFXLHYEHAM-LSDHHAIUSA-N	1	1	369.465	2.461	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)Cc1cc(C#N)ccc1F)Cc1ccccc1	ZINC000161132608	546103221	/nfs/dbraw/zinc/10/32/21/546103221.db2.gz	UGSPKFLJXKYLEC-UHFFFAOYSA-N	1	1	361.442	2.249	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)Cc1cc(C#N)ccc1F)Cc1ccccc1	ZINC000161132608	546103227	/nfs/dbraw/zinc/10/32/27/546103227.db2.gz	UGSPKFLJXKYLEC-UHFFFAOYSA-N	1	1	361.442	2.249	20	30		FEEDMO
C[N@@H+]1Cc2ccc(NC(=O)C(=O)N(CCC#N)Cc3ccco3)cc2C1	ZINC000164184496	546149128	/nfs/dbraw/zinc/14/91/28/546149128.db2.gz	JRIVBNCZNCHEDE-UHFFFAOYSA-N	1	1	352.394	2.106	20	30		FEEDMO
C[N@H+]1Cc2ccc(NC(=O)C(=O)N(CCC#N)Cc3ccco3)cc2C1	ZINC000164184496	546149135	/nfs/dbraw/zinc/14/91/35/546149135.db2.gz	JRIVBNCZNCHEDE-UHFFFAOYSA-N	1	1	352.394	2.106	20	30		FEEDMO
CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1	ZINC000479570584	561192175	/nfs/dbraw/zinc/19/21/75/561192175.db2.gz	XTCIOBAGOZFUKF-GOSISDBHSA-N	1	1	365.433	2.336	20	30		FEEDMO
CC[N@H+](CC(=O)NCc1cccc(C#N)c1)C[C@@H]1COc2ccccc2O1	ZINC000479570584	561192176	/nfs/dbraw/zinc/19/21/76/561192176.db2.gz	XTCIOBAGOZFUKF-GOSISDBHSA-N	1	1	365.433	2.336	20	30		FEEDMO
N#CCCn1ccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)n1	ZINC000173377650	546280526	/nfs/dbraw/zinc/28/05/26/546280526.db2.gz	IZFHIWNGNDHVOA-UHFFFAOYSA-N	1	1	352.442	2.367	20	30		FEEDMO
C[C@@H](O[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1)c1nc(C2CC2)no1	ZINC000174127456	546291358	/nfs/dbraw/zinc/29/13/58/546291358.db2.gz	PVMBOKCQYONMRJ-GFCCVEGCSA-N	1	1	371.441	2.306	20	30		FEEDMO
COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000175649531	546327659	/nfs/dbraw/zinc/32/76/59/546327659.db2.gz	LHKHZXPUBNCHMA-LBPRGKRZSA-N	1	1	364.833	2.313	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2cc(C#N)cn2C)C[C@H](C)O1	ZINC000176738617	546481433	/nfs/dbraw/zinc/48/14/33/546481433.db2.gz	NZAZYULNCARCJW-IYBDPMFKSA-N	1	1	366.465	2.436	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2cc(C#N)cn2C)C[C@H](C)O1	ZINC000176738617	546481435	/nfs/dbraw/zinc/48/14/35/546481435.db2.gz	NZAZYULNCARCJW-IYBDPMFKSA-N	1	1	366.465	2.436	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1C(F)(F)F	ZINC000177657550	546661880	/nfs/dbraw/zinc/66/18/80/546661880.db2.gz	WMTNFIRGWMNUQZ-GFCCVEGCSA-N	1	1	359.373	2.046	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+](CC)CC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000178026584	546725254	/nfs/dbraw/zinc/72/52/54/546725254.db2.gz	IRPOECBYUVRUMP-LJQANCHMSA-N	1	1	361.486	2.111	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1	ZINC000178031901	546726513	/nfs/dbraw/zinc/72/65/13/546726513.db2.gz	ASSZVRVTWTXRTP-UHFFFAOYSA-N	1	1	373.472	2.103	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1	ZINC000178031901	546726516	/nfs/dbraw/zinc/72/65/16/546726516.db2.gz	ASSZVRVTWTXRTP-UHFFFAOYSA-N	1	1	373.472	2.103	20	30		FEEDMO
N#CC1(NC(=O)C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)CCCCC1	ZINC000179566988	546977959	/nfs/dbraw/zinc/97/79/59/546977959.db2.gz	LWOSYDGXBNJQHG-GOSISDBHSA-N	1	1	368.481	2.282	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000180174440	547062709	/nfs/dbraw/zinc/06/27/09/547062709.db2.gz	IYIBUQSGIWFPQX-UKRRQHHQSA-N	1	1	353.875	2.316	20	30		FEEDMO
N#CC1(CS(=O)(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC1	ZINC000180408471	547102732	/nfs/dbraw/zinc/10/27/32/547102732.db2.gz	YXEBETYPOPZSRG-UHFFFAOYSA-N	1	1	351.447	2.013	20	30		FEEDMO
C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000181329176	547294021	/nfs/dbraw/zinc/29/40/21/547294021.db2.gz	BJFNSYRPUVNOQG-GFCCVEGCSA-N	1	1	373.906	2.425	20	30		FEEDMO
C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000181329176	547294023	/nfs/dbraw/zinc/29/40/23/547294023.db2.gz	BJFNSYRPUVNOQG-GFCCVEGCSA-N	1	1	373.906	2.425	20	30		FEEDMO
CC[N@@H+](CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)C(C)C	ZINC000483444218	561277290	/nfs/dbraw/zinc/27/72/90/561277290.db2.gz	IXWCQPXBCVSFCQ-CQSZACIVSA-N	1	1	366.487	2.224	20	30		FEEDMO
CC(=O)N1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C(C)(C)C1	ZINC000182177476	547448862	/nfs/dbraw/zinc/44/88/62/547448862.db2.gz	KFVCAUAYPIXPMO-UHFFFAOYSA-N	1	1	362.861	2.483	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)no1	ZINC000483963993	561288003	/nfs/dbraw/zinc/28/80/03/561288003.db2.gz	VDFMLBCRZQRMCZ-MRXNPFEDSA-N	1	1	371.416	2.266	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)no1	ZINC000483963993	561288004	/nfs/dbraw/zinc/28/80/04/561288004.db2.gz	VDFMLBCRZQRMCZ-MRXNPFEDSA-N	1	1	371.416	2.266	20	30		FEEDMO
C[C@H](CCNS(=O)(=O)c1c(F)cc(C#N)cc1F)[NH+]1CCCCC1	ZINC000183293267	547634366	/nfs/dbraw/zinc/63/43/66/547634366.db2.gz	OQYDVIBZOFDLCN-GFCCVEGCSA-N	1	1	357.426	2.379	20	30		FEEDMO
C#CCOc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000183436852	547658756	/nfs/dbraw/zinc/65/87/56/547658756.db2.gz	RANWXQMAGHOUGT-HXUWFJFHSA-N	1	1	364.445	2.195	20	30		FEEDMO
C#CCOc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1	ZINC000183436830	547658888	/nfs/dbraw/zinc/65/88/88/547658888.db2.gz	RANWXQMAGHOUGT-FQEVSTJZSA-N	1	1	364.445	2.195	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC[C@@H](C)C1	ZINC000484870199	561307428	/nfs/dbraw/zinc/30/74/28/561307428.db2.gz	ZLAMJYUTOIRLJZ-WBVHZDCISA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CC[C@@H](C)C1	ZINC000484870199	561307429	/nfs/dbraw/zinc/30/74/29/561307429.db2.gz	ZLAMJYUTOIRLJZ-WBVHZDCISA-N	1	1	350.484	2.469	20	30		FEEDMO
COc1cc(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)ncn1	ZINC000184435969	547826222	/nfs/dbraw/zinc/82/62/22/547826222.db2.gz	PYIAFLMRMDUNHE-UHFFFAOYSA-N	1	1	367.453	2.490	20	30		FEEDMO
Cn1nnc2ccc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc21	ZINC000184933242	547903632	/nfs/dbraw/zinc/90/36/32/547903632.db2.gz	YNUNMNOAKUCUEK-UHFFFAOYSA-N	1	1	374.448	2.188	20	30		FEEDMO
Cn1nnc2ccc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cc21	ZINC000184933242	547903635	/nfs/dbraw/zinc/90/36/35/547903635.db2.gz	YNUNMNOAKUCUEK-UHFFFAOYSA-N	1	1	374.448	2.188	20	30		FEEDMO
C[NH+]1CCN(C(=O)CC2CCN(Cc3cccc(F)c3C#N)CC2)CC1	ZINC000485278911	561316218	/nfs/dbraw/zinc/31/62/18/561316218.db2.gz	ZDQKZUMRBWSOIZ-UHFFFAOYSA-N	1	1	358.461	2.073	20	30		FEEDMO
C#CCC(C)(C)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000185725167	548025218	/nfs/dbraw/zinc/02/52/18/548025218.db2.gz	KXTCJEDSMAEGCR-SFHVURJKSA-N	1	1	355.482	2.050	20	30		FEEDMO
C[C@@H](C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl)N1CC[NH+](C)CC1	ZINC000186228706	548103912	/nfs/dbraw/zinc/10/39/12/548103912.db2.gz	ROIBTLAMDKEYDI-SMDDNHRTSA-N	1	1	355.269	2.310	20	30		FEEDMO
N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCCC3(CC3)C2)CC1	ZINC000186989391	548235489	/nfs/dbraw/zinc/23/54/89/548235489.db2.gz	JJIXRAANBLXJGF-LJQANCHMSA-N	1	1	370.472	2.411	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000187152398	548252052	/nfs/dbraw/zinc/25/20/52/548252052.db2.gz	YTSGWENWEXHWBP-NRFANRHFSA-N	1	1	359.514	2.279	20	30		FEEDMO
C=C(C)[C@@H]([NH2+]CC(=O)NC1CCN(C(C)=O)CC1)c1ccc(F)c(F)c1	ZINC000187778683	548264298	/nfs/dbraw/zinc/26/42/98/548264298.db2.gz	QOGRWBWPYCXGEJ-LJQANCHMSA-N	1	1	365.424	2.299	20	30		FEEDMO
C=CCN(CCOC)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1	ZINC000191134388	548340781	/nfs/dbraw/zinc/34/07/81/548340781.db2.gz	YUVBNMABHNRVCD-QGZVFWFLSA-N	1	1	361.486	2.251	20	30		FEEDMO
C=CCN(CCOC)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1	ZINC000191134388	548340784	/nfs/dbraw/zinc/34/07/84/548340784.db2.gz	YUVBNMABHNRVCD-QGZVFWFLSA-N	1	1	361.486	2.251	20	30		FEEDMO
CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCC(=O)N(C)CCC#N)n1	ZINC000191448403	548345131	/nfs/dbraw/zinc/34/51/31/548345131.db2.gz	UOVXIJZYVBYGPX-AWEZNQCLSA-N	1	1	364.471	2.219	20	30		FEEDMO
CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCC(=O)N(C)CCC#N)n1	ZINC000191448403	548345137	/nfs/dbraw/zinc/34/51/37/548345137.db2.gz	UOVXIJZYVBYGPX-AWEZNQCLSA-N	1	1	364.471	2.219	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1	ZINC000193607469	548391699	/nfs/dbraw/zinc/39/16/99/548391699.db2.gz	ZHWNDXBKTBOCRJ-HRCADAONSA-N	1	1	358.511	2.370	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)N2CCC(C#N)CC2)[C@H](c2ccccc2)C1	ZINC000195327188	548624449	/nfs/dbraw/zinc/62/44/49/548624449.db2.gz	DOMALSJYAYXFFN-FQEVSTJZSA-N	1	1	369.513	2.310	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)N2CCC(C#N)CC2)[C@H](c2ccccc2)C1	ZINC000195327188	548624453	/nfs/dbraw/zinc/62/44/53/548624453.db2.gz	DOMALSJYAYXFFN-FQEVSTJZSA-N	1	1	369.513	2.310	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)N2CCC(C#N)CC2)[C@H](c2ccccc2)C1	ZINC000195327188	548624459	/nfs/dbraw/zinc/62/44/59/548624459.db2.gz	DOMALSJYAYXFFN-FQEVSTJZSA-N	1	1	369.513	2.310	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N	ZINC000487429322	561369659	/nfs/dbraw/zinc/36/96/59/561369659.db2.gz	JCOHAPDXMAOJCB-RHSMWYFYSA-N	1	1	354.454	2.406	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)Nc1ccc(C#N)c(Br)c1	ZINC000487964129	561380108	/nfs/dbraw/zinc/38/01/08/561380108.db2.gz	AISWHHSAVWETHK-UHFFFAOYSA-N	1	1	369.263	2.411	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCC[C@@H]1C	ZINC000487978306	561380442	/nfs/dbraw/zinc/38/04/42/561380442.db2.gz	XNTHMPLDDOTTNX-YJBOKZPZSA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCC[C@@H]1C	ZINC000487978306	561380443	/nfs/dbraw/zinc/38/04/43/561380443.db2.gz	XNTHMPLDDOTTNX-YJBOKZPZSA-N	1	1	350.484	2.469	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](CCC(=O)N(C)CCC#N)C1	ZINC000245547182	548944244	/nfs/dbraw/zinc/94/42/44/548944244.db2.gz	XEQFJFQUKWDRAM-QZTJIDSGSA-N	1	1	357.454	2.027	20	30		FEEDMO
COc1cccc(OCC[NH+]2CCN(c3ccc(C#N)c(C)n3)CC2)c1	ZINC000488075699	561382955	/nfs/dbraw/zinc/38/29/55/561382955.db2.gz	CYPPGIUCYFSEGH-UHFFFAOYSA-N	1	1	352.438	2.471	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000245782129	548993466	/nfs/dbraw/zinc/99/34/66/548993466.db2.gz	HSCWXMLREMIGKS-PXNSSMCTSA-N	1	1	373.522	2.281	20	30		FEEDMO
CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[N@@H+]1C	ZINC000488593642	561392533	/nfs/dbraw/zinc/39/25/33/561392533.db2.gz	GNJRMYLOJLDMLK-MRXNPFEDSA-N	1	1	374.510	2.429	20	30		FEEDMO
CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC[N@H+]1C	ZINC000488593642	561392534	/nfs/dbraw/zinc/39/25/34/561392534.db2.gz	GNJRMYLOJLDMLK-MRXNPFEDSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2C#N)C1	ZINC000246484074	549142633	/nfs/dbraw/zinc/14/26/33/549142633.db2.gz	BANWSNUAZPTAGN-SWLSCSKDSA-N	1	1	353.875	2.316	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1	ZINC000246509463	549150329	/nfs/dbraw/zinc/15/03/29/549150329.db2.gz	ICQJBCNRXOTPSD-IAOVAPTHSA-N	1	1	363.433	2.114	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](OCCO)C1	ZINC000246851185	549227605	/nfs/dbraw/zinc/22/76/05/549227605.db2.gz	QVAUEGRSLKZVBO-JKSUJKDBSA-N	1	1	352.500	2.125	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](OCCO)C1	ZINC000246851185	549227612	/nfs/dbraw/zinc/22/76/12/549227612.db2.gz	QVAUEGRSLKZVBO-JKSUJKDBSA-N	1	1	352.500	2.125	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000247127442	549288053	/nfs/dbraw/zinc/28/80/53/549288053.db2.gz	NIMKMTKNHZVBIO-BBRMVZONSA-N	1	1	360.845	2.093	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	ZINC000247582933	549362564	/nfs/dbraw/zinc/36/25/64/549362564.db2.gz	LTKRENDYXJKDKZ-LSDHHAIUSA-N	1	1	374.510	2.477	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C1	ZINC000247582933	549362568	/nfs/dbraw/zinc/36/25/68/549362568.db2.gz	LTKRENDYXJKDKZ-LSDHHAIUSA-N	1	1	374.510	2.477	20	30		FEEDMO
CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccco1	ZINC000489265117	561406938	/nfs/dbraw/zinc/40/69/38/561406938.db2.gz	MLUQUAJZCXAMBA-INIZCTEOSA-N	1	1	362.455	2.216	20	30		FEEDMO
Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)nn1-c1cccc(C#N)c1	ZINC000489332816	561408323	/nfs/dbraw/zinc/40/83/23/561408323.db2.gz	RNHSCMWAGJZPDY-LJQANCHMSA-N	1	1	351.454	2.465	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000248544744	549454982	/nfs/dbraw/zinc/45/49/82/549454982.db2.gz	IYIBUQSGIWFPQX-DZGCQCFKSA-N	1	1	353.875	2.316	20	30		FEEDMO
CCN(CC)C(=O)[C@H]1CCC[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248716656	549489058	/nfs/dbraw/zinc/48/90/58/549489058.db2.gz	FDJALVCRJDHJNS-MOPGFXCFSA-N	1	1	368.481	2.386	20	30		FEEDMO
CCN(CC)C(=O)[C@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248716656	549489064	/nfs/dbraw/zinc/48/90/64/549489064.db2.gz	FDJALVCRJDHJNS-MOPGFXCFSA-N	1	1	368.481	2.386	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1ccn(CCC#N)n1	ZINC000248796533	549503740	/nfs/dbraw/zinc/50/37/40/549503740.db2.gz	JFRITXXWOXUQRN-DOTOQJQBSA-N	1	1	352.442	2.439	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1	ZINC000248797142	549503770	/nfs/dbraw/zinc/50/37/70/549503770.db2.gz	YWVGKTLLRLKWAG-NQIIRXRSSA-N	1	1	350.418	2.429	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1F	ZINC000489551525	561414032	/nfs/dbraw/zinc/41/40/32/561414032.db2.gz	PFSUGEIELBFILF-OAHLLOKOSA-N	1	1	351.447	2.240	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000249087349	549548804	/nfs/dbraw/zinc/54/88/04/549548804.db2.gz	CGAKOFKNLPUXSC-QAPCUYQASA-N	1	1	357.454	2.353	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)C1	ZINC000249087349	549548806	/nfs/dbraw/zinc/54/88/06/549548806.db2.gz	CGAKOFKNLPUXSC-QAPCUYQASA-N	1	1	357.454	2.353	20	30		FEEDMO
COC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000249148439	549560303	/nfs/dbraw/zinc/56/03/03/549560303.db2.gz	XFSKWVRVFJUTDK-WOJBJXKFSA-N	1	1	354.450	2.487	20	30		FEEDMO
COCCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000249302999	549578703	/nfs/dbraw/zinc/57/87/03/549578703.db2.gz	CLNPIGHWOOELIT-MAUKXSAKSA-N	1	1	363.433	2.198	20	30		FEEDMO
COCCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000249302999	549578708	/nfs/dbraw/zinc/57/87/08/549578708.db2.gz	CLNPIGHWOOELIT-MAUKXSAKSA-N	1	1	363.433	2.198	20	30		FEEDMO
N#Cc1c(F)cccc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000489782776	561418914	/nfs/dbraw/zinc/41/89/14/561418914.db2.gz	UTDPEIVKMZUXFJ-UHFFFAOYSA-N	1	1	353.397	2.460	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1	ZINC000249708467	549617258	/nfs/dbraw/zinc/61/72/58/549617258.db2.gz	CCARABVSCGMMRN-IAGOWNOFSA-N	1	1	356.470	2.345	20	30		FEEDMO
C[N@H+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1	ZINC000249813926	549630564	/nfs/dbraw/zinc/63/05/64/549630564.db2.gz	JQCOBZZZVHTLHV-TZIWHRDSSA-N	1	1	351.450	2.287	20	30		FEEDMO
CN1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1	ZINC000249813926	549630568	/nfs/dbraw/zinc/63/05/68/549630568.db2.gz	JQCOBZZZVHTLHV-TZIWHRDSSA-N	1	1	351.450	2.287	20	30		FEEDMO
CN1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1	ZINC000249813926	549630572	/nfs/dbraw/zinc/63/05/72/549630572.db2.gz	JQCOBZZZVHTLHV-TZIWHRDSSA-N	1	1	351.450	2.287	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000255632068	549707228	/nfs/dbraw/zinc/70/72/28/549707228.db2.gz	UHUATPQTAPPJRW-AEFFLSMTSA-N	1	1	356.470	2.170	20	30		FEEDMO
C[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)NC1CCN(Cc2ccccn2)CC1	ZINC000262389648	549816058	/nfs/dbraw/zinc/81/60/58/549816058.db2.gz	LYKFUTNQJYBULR-QRVBRYPASA-N	1	1	371.529	2.025	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+](CC)Cc2cnn(C)c2)c(OC)c1	ZINC000263692950	549921073	/nfs/dbraw/zinc/92/10/73/549921073.db2.gz	LQTYDGFNEYZUSR-GOSISDBHSA-N	1	1	359.470	2.419	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@@H](C)C1	ZINC000265156397	550006500	/nfs/dbraw/zinc/00/65/00/550006500.db2.gz	CZJSOGKYCFOBJE-AZUAARDMSA-N	1	1	357.498	2.474	20	30		FEEDMO
COCCOC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000265354486	550008796	/nfs/dbraw/zinc/00/87/96/550008796.db2.gz	USBXEBSMGSSBAN-KRWDZBQOSA-N	1	1	359.470	2.449	20	30		FEEDMO
N#CCOc1cccc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1	ZINC000265870076	550014799	/nfs/dbraw/zinc/01/47/99/550014799.db2.gz	YOVPFZRUPAJVLK-UHFFFAOYSA-N	1	1	370.453	2.004	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)CCSc1nnc(C)[nH]1)C(C)C	ZINC000266820316	550024611	/nfs/dbraw/zinc/02/46/11/550024611.db2.gz	ICFAZEDRJUZZHJ-OAHLLOKOSA-N	1	1	351.520	2.410	20	30		FEEDMO
COc1cc(C)c(C[N@H+](C)CC(=O)N(CCC#N)CCC#N)cc1OC	ZINC000267909063	550035511	/nfs/dbraw/zinc/03/55/11/550035511.db2.gz	BTMKEFWBBICFAQ-UHFFFAOYSA-N	1	1	358.442	2.100	20	30		FEEDMO
COc1cc(C)c(C[N@@H+](C)CC(=O)N(CCC#N)CCC#N)cc1OC	ZINC000267909063	550035514	/nfs/dbraw/zinc/03/55/14/550035514.db2.gz	BTMKEFWBBICFAQ-UHFFFAOYSA-N	1	1	358.442	2.100	20	30		FEEDMO
N#Cc1ccnc(NCc2ccccc2C[NH+]2CCOCC2)c1[N+](=O)[O-]	ZINC000268482758	550073718	/nfs/dbraw/zinc/07/37/18/550073718.db2.gz	LWKNQDJSSBUQOO-UHFFFAOYSA-N	1	1	353.382	2.306	20	30		FEEDMO
N#Cc1ccc(C[NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)c(F)c1	ZINC000269456831	550198379	/nfs/dbraw/zinc/19/83/79/550198379.db2.gz	XCGBQZLCEGUDLT-UHFFFAOYSA-N	1	1	353.397	2.460	20	30		FEEDMO
C#CC[C@H](NC(=O)NC1CC[NH+](CC(=O)NCCC)CC1)c1ccccc1	ZINC000270432884	550272165	/nfs/dbraw/zinc/27/21/65/550272165.db2.gz	PMLUHLALSWXUGY-IBGZPJMESA-N	1	1	370.497	2.041	20	30		FEEDMO
N#Cc1csc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1	ZINC000270584432	550286348	/nfs/dbraw/zinc/28/63/48/550286348.db2.gz	DFJXEJGOYLMXBI-SJORKVTESA-N	1	1	355.463	2.233	20	30		FEEDMO
Cc1[nH+]ccn1CCN1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000270639119	550291667	/nfs/dbraw/zinc/29/16/67/550291667.db2.gz	IPIPCCJMRVNZPW-UHFFFAOYSA-N	1	1	352.398	2.133	20	30		FEEDMO
COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000271131131	550343359	/nfs/dbraw/zinc/34/33/59/550343359.db2.gz	KDZGEXJTMGODKO-MJGOQNOKSA-N	1	1	372.513	2.400	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CCc1cnccn1	ZINC000271343140	550366837	/nfs/dbraw/zinc/36/68/37/550366837.db2.gz	NOKKXOCDVCWYKH-UHFFFAOYSA-N	1	1	355.467	2.402	20	30		FEEDMO
C[C@@H]1C[C@@H](CN2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CCO1	ZINC000271347320	550367680	/nfs/dbraw/zinc/36/76/80/550367680.db2.gz	KMQVHVTUHBGSRW-KGLIPLIRSA-N	1	1	354.454	2.461	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@H+](CCC(C)(C)C#N)CC2)cc1	ZINC000272020784	550416684	/nfs/dbraw/zinc/41/66/84/550416684.db2.gz	MWBNRLHGOPHSCH-UHFFFAOYSA-N	1	1	365.499	2.331	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@@H+](CCC(C)(C)C#N)CC2)cc1	ZINC000272020784	550416686	/nfs/dbraw/zinc/41/66/86/550416686.db2.gz	MWBNRLHGOPHSCH-UHFFFAOYSA-N	1	1	365.499	2.331	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1OCC#N	ZINC000272578290	550459011	/nfs/dbraw/zinc/45/90/11/550459011.db2.gz	WAHMMYQRICCEHN-TZNLOLHFSA-N	1	1	355.438	2.163	20	30		FEEDMO
COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1	ZINC000272644702	550462658	/nfs/dbraw/zinc/46/26/58/550462658.db2.gz	FEUFISSWGPWWKD-CABCVRRESA-N	1	1	374.441	2.079	20	30		FEEDMO
C[C@@H](NC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C1=CC[N@@H+](C)CC1	ZINC000272850724	550473611	/nfs/dbraw/zinc/47/36/11/550473611.db2.gz	HHXLKNBLZQCDSE-OAHLLOKOSA-N	1	1	371.460	2.179	20	30		FEEDMO
C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCC2	ZINC000273738071	550509884	/nfs/dbraw/zinc/50/98/84/550509884.db2.gz	LKLXJDXDVVFAFX-HNNXBMFYSA-N	1	1	350.470	2.411	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N(CCC#N)CCC#N	ZINC000274856973	550559906	/nfs/dbraw/zinc/55/99/06/550559906.db2.gz	SNZBKDXBQBEGQK-AZUAARDMSA-N	1	1	367.497	2.143	20	30		FEEDMO
C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)CCC#N	ZINC000274856973	550559907	/nfs/dbraw/zinc/55/99/07/550559907.db2.gz	SNZBKDXBQBEGQK-AZUAARDMSA-N	1	1	367.497	2.143	20	30		FEEDMO
C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@@]1=O	ZINC000277035919	550624362	/nfs/dbraw/zinc/62/43/62/550624362.db2.gz	BLEGZJUZMYQVLJ-SPSFWMDKSA-N	1	1	353.875	2.383	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[S@@]1=O	ZINC000277035919	550624363	/nfs/dbraw/zinc/62/43/63/550624363.db2.gz	BLEGZJUZMYQVLJ-SPSFWMDKSA-N	1	1	353.875	2.383	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc(CC(=O)Nc3ccc(OCC)cc3)no2)CC1	ZINC000277923175	550729433	/nfs/dbraw/zinc/72/94/33/550729433.db2.gz	QACURPGTCNFNEQ-UHFFFAOYSA-N	1	1	368.437	2.462	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000277967955	550733941	/nfs/dbraw/zinc/73/39/41/550733941.db2.gz	PXKAVIFLRXCAOS-INIZCTEOSA-N	1	1	356.470	2.341	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000278202331	550760016	/nfs/dbraw/zinc/76/00/16/550760016.db2.gz	FUFNFVNSXRDOQL-FGTMMUONSA-N	1	1	357.454	2.056	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000278202331	550760018	/nfs/dbraw/zinc/76/00/18/550760018.db2.gz	FUFNFVNSXRDOQL-FGTMMUONSA-N	1	1	357.454	2.056	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CC[N@H+]1CCOC	ZINC000495131561	561482770	/nfs/dbraw/zinc/48/27/70/561482770.db2.gz	ONIRFKJESDSXRF-GOSISDBHSA-N	1	1	358.486	2.197	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1C#N	ZINC000278562771	550799307	/nfs/dbraw/zinc/79/93/07/550799307.db2.gz	MRWFDTYFQXWKIF-GJZGRUSLSA-N	1	1	360.458	2.264	20	30		FEEDMO
CC[C@]1(O)CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1	ZINC000495186960	561483902	/nfs/dbraw/zinc/48/39/02/561483902.db2.gz	BXRDKVRXVCHNFQ-FQEVSTJZSA-N	1	1	370.453	2.403	20	30		FEEDMO
CC[C@]1(O)CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1	ZINC000495186960	561483903	/nfs/dbraw/zinc/48/39/03/561483903.db2.gz	BXRDKVRXVCHNFQ-FQEVSTJZSA-N	1	1	370.453	2.403	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1	ZINC000278938946	550838100	/nfs/dbraw/zinc/83/81/00/550838100.db2.gz	XWIYLCYOWHRHDD-ZDUSSCGKSA-N	1	1	354.372	2.127	20	30		FEEDMO
C=CCCCNC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000280578232	551009774	/nfs/dbraw/zinc/00/97/74/551009774.db2.gz	WMBQQDSUHZJWLE-IYBDPMFKSA-N	1	1	359.470	2.317	20	30		FEEDMO
C=CCCCNC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000280578232	551009776	/nfs/dbraw/zinc/00/97/76/551009776.db2.gz	WMBQQDSUHZJWLE-IYBDPMFKSA-N	1	1	359.470	2.317	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)c2ccc(Br)cc2)C1=O	ZINC000281173823	551070768	/nfs/dbraw/zinc/07/07/68/551070768.db2.gz	AKCUWYVLBWHXFN-CABCVRRESA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)c2ccc(Br)cc2)C1=O	ZINC000281173823	551070770	/nfs/dbraw/zinc/07/07/70/551070770.db2.gz	AKCUWYVLBWHXFN-CABCVRRESA-N	1	1	353.260	2.201	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000281180312	551071154	/nfs/dbraw/zinc/07/11/54/551071154.db2.gz	QSXDIGPJBMXIKV-HXUWFJFHSA-N	1	1	356.470	2.008	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000281248667	551077975	/nfs/dbraw/zinc/07/79/75/551077975.db2.gz	UXFOZFHAAYUCFT-IBGZPJMESA-N	1	1	374.510	2.285	20	30		FEEDMO
Cc1nsc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)c1C#N	ZINC000281265066	551079222	/nfs/dbraw/zinc/07/92/22/551079222.db2.gz	VPFYRGIWXHSOPY-INIZCTEOSA-N	1	1	355.467	2.250	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1=O	ZINC000281500489	551105450	/nfs/dbraw/zinc/10/54/50/551105450.db2.gz	XZLFUFIJULRGQC-ZBFHGGJFSA-N	1	1	372.387	2.164	20	30		FEEDMO
C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCCC1(C#N)CCOCC1	ZINC000282075250	551177099	/nfs/dbraw/zinc/17/70/99/551177099.db2.gz	TYXGORMYXHLAIU-OAHLLOKOSA-N	1	1	365.499	2.427	20	30		FEEDMO
C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[NH+](C2CC2)CC1	ZINC000282163084	551189051	/nfs/dbraw/zinc/18/90/51/551189051.db2.gz	CZNRTFCYQGXDQW-GOSISDBHSA-N	1	1	367.453	2.261	20	30		FEEDMO
C=CCn1c(CCOc2ccccc2)nnc1N1CC[NH+](C2CC2)CC1	ZINC000282293354	551207571	/nfs/dbraw/zinc/20/75/71/551207571.db2.gz	NYNXJTVMUPIWQX-UHFFFAOYSA-N	1	1	353.470	2.370	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)O1	ZINC000282365745	551217988	/nfs/dbraw/zinc/21/79/88/551217988.db2.gz	DOKSQKNTHITYQR-LIRZEXBASA-N	1	1	371.437	2.070	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1	ZINC000282926655	551286078	/nfs/dbraw/zinc/28/60/78/551286078.db2.gz	YFFJIDGMDUAXTR-QGZVFWFLSA-N	1	1	351.454	2.452	20	30		FEEDMO
C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CC[NH+](CCOC)CC1	ZINC000283195977	551327262	/nfs/dbraw/zinc/32/72/62/551327262.db2.gz	HGAGWHODCWFFMA-UHFFFAOYSA-N	1	1	371.485	2.298	20	30		FEEDMO
CN1CCO[C@@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]21	ZINC000284233162	551506698	/nfs/dbraw/zinc/50/66/98/551506698.db2.gz	DPKYMUQDNHAIDR-VQTJNVASSA-N	1	1	365.481	2.369	20	30		FEEDMO
CN1CCO[C@@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C[C@@H]21	ZINC000284233162	551506701	/nfs/dbraw/zinc/50/67/01/551506701.db2.gz	DPKYMUQDNHAIDR-VQTJNVASSA-N	1	1	365.481	2.369	20	30		FEEDMO
C[N@H+]1CC[C@@H]2OCCN(Cc3cn(CCC#N)nc3-c3ccccc3)[C@@H]2C1	ZINC000284459106	551553549	/nfs/dbraw/zinc/55/35/49/551553549.db2.gz	AHKHPRQSWIXUIP-UXHICEINSA-N	1	1	365.481	2.369	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O	ZINC000284900343	551662479	/nfs/dbraw/zinc/66/24/79/551662479.db2.gz	SZAIPFKBNIHKBZ-VXXKDZQQSA-N	1	1	357.454	2.137	20	30		FEEDMO
CCCCCC(=O)NC1CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC1	ZINC000498677123	561531600	/nfs/dbraw/zinc/53/16/00/561531600.db2.gz	UJSCKIQIXFXJAT-INIZCTEOSA-N	1	1	350.507	2.155	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000285626551	551785269	/nfs/dbraw/zinc/78/52/69/551785269.db2.gz	QZQOALGBNNGDPQ-NRFANRHFSA-N	1	1	354.498	2.347	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1	ZINC000285626551	551785271	/nfs/dbraw/zinc/78/52/71/551785271.db2.gz	QZQOALGBNNGDPQ-NRFANRHFSA-N	1	1	354.498	2.347	20	30		FEEDMO
N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccc1F	ZINC000285875887	551822165	/nfs/dbraw/zinc/82/21/65/551822165.db2.gz	WFOPZXWGQNGXSQ-UYAOXDASSA-N	1	1	367.424	2.310	20	30		FEEDMO
C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000286057063	551843827	/nfs/dbraw/zinc/84/38/27/551843827.db2.gz	RIWXPJDKRUTFKT-JXFKEZNVSA-N	1	1	365.481	2.254	20	30		FEEDMO
CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000286229771	551863461	/nfs/dbraw/zinc/86/34/61/551863461.db2.gz	UCJBLFYWKQQDOX-QGZVFWFLSA-N	1	1	358.461	2.466	20	30		FEEDMO
CNC(=O)CC[C@H]1CCCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000286471924	551889993	/nfs/dbraw/zinc/88/99/93/551889993.db2.gz	NTBXMSMHOUAZQA-MJGOQNOKSA-N	1	1	368.481	2.434	20	30		FEEDMO
C[C@H](CC#N)N(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000286745065	551921154	/nfs/dbraw/zinc/92/11/54/551921154.db2.gz	LDRRUJOJYHQCLC-AHRSYUTCSA-N	1	1	365.481	2.396	20	30		FEEDMO
CC[NH+]1CCN(C(=O)CC2CCN(c3snc(C)c3C#N)CC2)CC1	ZINC000287371264	551995575	/nfs/dbraw/zinc/99/55/75/551995575.db2.gz	OCDDCUGPPCCEFV-UHFFFAOYSA-N	1	1	361.515	2.094	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000287503160	552012722	/nfs/dbraw/zinc/01/27/22/552012722.db2.gz	UPQDNANVOCIGPH-XUWXXGDYSA-N	1	1	356.445	2.123	20	30		FEEDMO
C#CCCC[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1	ZINC000287575540	552020925	/nfs/dbraw/zinc/02/09/25/552020925.db2.gz	BYEDFGYNSCTPBR-UHFFFAOYSA-N	1	1	357.479	2.345	20	30		FEEDMO
CC[C@@H](CNC(=O)Cc1noc(C)c1C#N)[N@H+]1CCc2ccccc2C1	ZINC000499542693	561553289	/nfs/dbraw/zinc/55/32/89/561553289.db2.gz	VPBMHLLKAMXBNB-KRWDZBQOSA-N	1	1	352.438	2.350	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(c3nccn(C(F)F)c3=O)CC2)cc1	ZINC000288107325	552092377	/nfs/dbraw/zinc/09/23/77/552092377.db2.gz	KLUFCANEDRWISW-UHFFFAOYSA-N	1	1	359.380	2.222	20	30		FEEDMO
C=CCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C	ZINC000288561928	552175521	/nfs/dbraw/zinc/17/55/21/552175521.db2.gz	JXUCNJSNOVHHGS-GOSISDBHSA-N	1	1	357.498	2.486	20	30		FEEDMO
C[N@H+]1CCCN(c2ccc(-c3noc(-c4ccnc(C#N)c4)n3)cn2)CC1	ZINC000288993113	552249052	/nfs/dbraw/zinc/24/90/52/552249052.db2.gz	SPDDKQXKPLNQRU-UHFFFAOYSA-N	1	1	361.409	2.207	20	30		FEEDMO
C#CCC(C)(C)c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1	ZINC000289960927	552405827	/nfs/dbraw/zinc/40/58/27/552405827.db2.gz	CGFWZPIJJIWXEK-UHFFFAOYSA-N	1	1	352.438	2.425	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(-c3noc(-c4ccnc(C#N)c4)n3)cc2)CC1	ZINC000290118569	552430072	/nfs/dbraw/zinc/43/00/72/552430072.db2.gz	NMBXDSKJNOQTMP-UHFFFAOYSA-N	1	1	374.404	2.058	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C)[C@H](C)C1	ZINC000290321842	552460127	/nfs/dbraw/zinc/46/01/27/552460127.db2.gz	ZOFXRWOUKUCQEK-CRAIPNDOSA-N	1	1	368.485	2.432	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C2)C1	ZINC000292052313	552688620	/nfs/dbraw/zinc/68/86/20/552688620.db2.gz	NSIAGKOOMJIKHR-OAHLLOKOSA-N	1	1	373.400	2.293	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@]2(CC[N@@H+](C)C2)C1	ZINC000292075306	552691014	/nfs/dbraw/zinc/69/10/14/552691014.db2.gz	DZGWVRHLKYBTAB-UZLBHIALSA-N	1	1	358.461	2.488	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1	ZINC000292117295	552695370	/nfs/dbraw/zinc/69/53/70/552695370.db2.gz	GHGYSSPWLDCGDY-HXUWFJFHSA-N	1	1	357.454	2.280	20	30		FEEDMO
C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292193600	552703500	/nfs/dbraw/zinc/70/35/00/552703500.db2.gz	NGOMWRLPBPWSOH-QFBILLFUSA-N	1	1	364.449	2.453	20	30		FEEDMO
C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292193600	552703501	/nfs/dbraw/zinc/70/35/01/552703501.db2.gz	NGOMWRLPBPWSOH-QFBILLFUSA-N	1	1	364.449	2.453	20	30		FEEDMO
C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)C1	ZINC000292715821	552752189	/nfs/dbraw/zinc/75/21/89/552752189.db2.gz	FKZZUCHAIMGDNO-MRXNPFEDSA-N	1	1	353.875	2.318	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CO)CC1	ZINC000293269563	552805311	/nfs/dbraw/zinc/80/53/11/552805311.db2.gz	UVSBLHMMLJOZHF-DLBZAZTESA-N	1	1	359.470	2.425	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1C#N	ZINC000293335261	552812712	/nfs/dbraw/zinc/81/27/12/552812712.db2.gz	DHQBRRUTFKNSQX-CQSZACIVSA-N	1	1	354.454	2.138	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br	ZINC000293924917	552868573	/nfs/dbraw/zinc/86/85/73/552868573.db2.gz	HGDPUJNIMNFCHF-UHFFFAOYSA-N	1	1	372.194	2.181	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000294009477	552875029	/nfs/dbraw/zinc/87/50/29/552875029.db2.gz	PPDMSSLQOHWHGE-UHFFFAOYSA-N	1	1	354.204	2.042	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCO1	ZINC000501849277	561606517	/nfs/dbraw/zinc/60/65/17/561606517.db2.gz	INPKEFWGHMPCJB-VQIMIIECSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCO1	ZINC000501849277	561606518	/nfs/dbraw/zinc/60/65/18/561606518.db2.gz	INPKEFWGHMPCJB-VQIMIIECSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@@H]1CN(CC[NH+]2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCO1	ZINC000501849277	561606519	/nfs/dbraw/zinc/60/65/19/561606519.db2.gz	INPKEFWGHMPCJB-VQIMIIECSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@H]([N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(C)(C)O	ZINC000295123360	552960993	/nfs/dbraw/zinc/96/09/93/552960993.db2.gz	JBDWKAWPFGWWBC-ZDUSSCGKSA-N	1	1	356.388	2.264	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000296040923	553094414	/nfs/dbraw/zinc/09/44/14/553094414.db2.gz	SQRQEDLETJZDLH-CQSZACIVSA-N	1	1	353.463	2.381	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1	ZINC000298590382	553445490	/nfs/dbraw/zinc/44/54/90/553445490.db2.gz	IHNIVTKBUVGBLZ-IAGOWNOFSA-N	1	1	354.454	2.169	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000298803766	553474986	/nfs/dbraw/zinc/47/49/86/553474986.db2.gz	OXZRCIOYFGQCRC-LBPRGKRZSA-N	1	1	361.467	2.322	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2CC(=O)Nc2sccc2C#N)C[C@@H](C)O1	ZINC000299274796	553541017	/nfs/dbraw/zinc/54/10/17/553541017.db2.gz	PXIUCZNKVVRPJD-IIAWOOMASA-N	1	1	362.499	2.132	20	30		FEEDMO
N#CC1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)CCCC1	ZINC000299646368	553595207	/nfs/dbraw/zinc/59/52/07/553595207.db2.gz	UKCNNSVNVDGTGW-MRXNPFEDSA-N	1	1	354.454	2.406	20	30		FEEDMO
C#CCNC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)nc1	ZINC000301323917	553642338	/nfs/dbraw/zinc/64/23/38/553642338.db2.gz	WXPGFHYXSGECKT-QFBILLFUSA-N	1	1	363.465	2.162	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N	ZINC000311879277	553755171	/nfs/dbraw/zinc/75/51/71/553755171.db2.gz	YBMGNRQLAMXYKD-SFHVURJKSA-N	1	1	370.478	2.157	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000311879277	553755176	/nfs/dbraw/zinc/75/51/76/553755176.db2.gz	YBMGNRQLAMXYKD-SFHVURJKSA-N	1	1	370.478	2.157	20	30		FEEDMO
N#Cc1cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc2ccccc12	ZINC000603422795	553784643	/nfs/dbraw/zinc/78/46/43/553784643.db2.gz	JAZFHJIBBIXVHM-GOSISDBHSA-N	1	1	365.481	2.315	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1)C1(C#N)CCCCC1	ZINC000327723248	553791198	/nfs/dbraw/zinc/79/11/98/553791198.db2.gz	FAIQHKFVRPIJNT-INIZCTEOSA-N	1	1	361.408	2.451	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1)C1(C#N)CCCCC1	ZINC000327723248	553791200	/nfs/dbraw/zinc/79/12/00/553791200.db2.gz	FAIQHKFVRPIJNT-INIZCTEOSA-N	1	1	361.408	2.451	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000328609471	553795842	/nfs/dbraw/zinc/79/58/42/553795842.db2.gz	MTZYILOXVBPPTO-BQFCYCMXSA-N	1	1	351.491	2.067	20	30		FEEDMO
Cn1cc([C@@H]2C[N@H+](CC(=O)N[C@H]3CCCc4ccccc43)C[C@H]2CO)cn1	ZINC000328613915	553796283	/nfs/dbraw/zinc/79/62/83/553796283.db2.gz	QSJQEVQHFKTKKC-IHPCNDPISA-N	1	1	368.481	2.462	20	30		FEEDMO
Cn1cc([C@@H]2C[N@@H+](CC(=O)N[C@H]3CCCc4ccccc43)C[C@H]2CO)cn1	ZINC000328613915	553796285	/nfs/dbraw/zinc/79/62/85/553796285.db2.gz	QSJQEVQHFKTKKC-IHPCNDPISA-N	1	1	368.481	2.462	20	30		FEEDMO
CCCc1noc2nc(CC)cc(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)c12	ZINC000328636266	553800073	/nfs/dbraw/zinc/80/00/73/553800073.db2.gz	ADDXHMXLTDYKAA-CQSZACIVSA-N	1	1	359.474	2.288	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@H]2CCCC23CCOCC3)CC[N@H+]1CCOC	ZINC000328689932	553807737	/nfs/dbraw/zinc/80/77/37/553807737.db2.gz	DFGGRKQLSJKGHO-SJORKVTESA-N	1	1	353.507	2.292	20	30		FEEDMO
O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@H]1CCC[N@H+]1C1CCOCC1	ZINC000328722232	553812752	/nfs/dbraw/zinc/81/27/52/553812752.db2.gz	XJTUVRBXCOPOTQ-CGTJXYLNSA-N	1	1	366.502	2.154	20	30		FEEDMO
Cc1csc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CCO2)n1	ZINC000328748636	553815946	/nfs/dbraw/zinc/81/59/46/553815946.db2.gz	QNUCKIRBQQXRCP-ILXRZTDVSA-N	1	1	350.488	2.366	20	30		FEEDMO
Cc1cc([C@@H]2CCCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)C2)n[nH]1	ZINC000328758904	553817587	/nfs/dbraw/zinc/81/75/87/553817587.db2.gz	WAPKNPYUZWUALY-PBHICJAKSA-N	1	1	351.520	2.249	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N1CC[C@@H](C2CCOCC2)C1)[NH+]1CCOCC1	ZINC000328830099	553829635	/nfs/dbraw/zinc/82/96/35/553829635.db2.gz	KJWHQYHMYGZBJW-MSOLQXFVSA-N	1	1	353.507	2.006	20	30		FEEDMO
C[NH+]1CCN([C@@H](C(=O)N2CCc3ccc(C#N)cc32)c2ccccc2)CC1	ZINC000328879015	553837327	/nfs/dbraw/zinc/83/73/27/553837327.db2.gz	VABLDJPBROJWQN-OAQYLSRUSA-N	1	1	360.461	2.436	20	30		FEEDMO
C[C@@H]1C[C@@H](C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1=O	ZINC000328944353	553850535	/nfs/dbraw/zinc/85/05/35/553850535.db2.gz	JEUYUTPPCUHPQN-AEFFLSMTSA-N	1	1	371.481	2.293	20	30		FEEDMO
C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1Cc2ccccc2O1	ZINC000328957775	553852766	/nfs/dbraw/zinc/85/27/66/553852766.db2.gz	JMAPFUDONNBJIL-WIRSXHRWSA-N	1	1	374.481	2.199	20	30		FEEDMO
CNC(=O)c1ccn([C@@H]2CCC[N@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C2)n1	ZINC000328993488	553860873	/nfs/dbraw/zinc/86/08/73/553860873.db2.gz	TVRNYAFQIYXUAE-BZUAXINKSA-N	1	1	361.490	2.415	20	30		FEEDMO
CNC(=O)c1ccn([C@@H]2CCC[N@@H+](CC(=O)N[C@@H]3CCCC[C@H]3C)C2)n1	ZINC000328993488	553860877	/nfs/dbraw/zinc/86/08/77/553860877.db2.gz	TVRNYAFQIYXUAE-BZUAXINKSA-N	1	1	361.490	2.415	20	30		FEEDMO
CC1=CC[N@@H+](CCNC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccccc2)CC1	ZINC000328993559	553861089	/nfs/dbraw/zinc/86/10/89/553861089.db2.gz	JALPSNCNDSUSIA-RTBURBONSA-N	1	1	357.454	2.193	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CCCN2CCOCC2)CC1	ZINC000506033124	561687828	/nfs/dbraw/zinc/68/78/28/561687828.db2.gz	VGHHXHIENGZRNV-IBGZPJMESA-N	1	1	363.546	2.400	20	30		FEEDMO
O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCN2C(=O)CC[C@@H]2C1	ZINC000329009873	553863875	/nfs/dbraw/zinc/86/38/75/553863875.db2.gz	DFKFFMWRRHXMLD-MRXNPFEDSA-N	1	1	374.510	2.088	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C	ZINC000329030256	553867737	/nfs/dbraw/zinc/86/77/37/553867737.db2.gz	WWJZVIMRVYFCNA-FKEXNYPISA-N	1	1	373.501	2.444	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)C2=O)cc1	ZINC000329072946	553875470	/nfs/dbraw/zinc/87/54/70/553875470.db2.gz	ZTOAFGLVHAXPQZ-NVXWUHKLSA-N	1	1	363.421	2.413	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)C2=O)cc1	ZINC000329072946	553875473	/nfs/dbraw/zinc/87/54/73/553875473.db2.gz	ZTOAFGLVHAXPQZ-NVXWUHKLSA-N	1	1	363.421	2.413	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](C(C)C)C2)C[C@H]1[NH+]1CCOCC1	ZINC000329091773	553878850	/nfs/dbraw/zinc/87/88/50/553878850.db2.gz	AITQONYVQSNTPI-TVFCKZIOSA-N	1	1	353.507	2.147	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C(C)(C)C)CC2)o1	ZINC000329111928	553882574	/nfs/dbraw/zinc/88/25/74/553882574.db2.gz	RDDOPQRTFKDAGB-MRXNPFEDSA-N	1	1	359.474	2.014	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)[C@H](C)C1	ZINC000329131494	553886017	/nfs/dbraw/zinc/88/60/17/553886017.db2.gz	AFVFRGRRBTXIPQ-NUJGCVRESA-N	1	1	364.534	2.496	20	30		FEEDMO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)CC[C@@H]21	ZINC000329138237	553887247	/nfs/dbraw/zinc/88/72/47/553887247.db2.gz	RVOVGUSEYBAWSB-BBWFWOEESA-N	1	1	365.522	2.102	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC000329173605	553895838	/nfs/dbraw/zinc/89/58/38/553895838.db2.gz	LNXISDISUJZRJS-INMHGKMJSA-N	1	1	350.507	2.106	20	30		FEEDMO
CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1	ZINC000329205110	553902220	/nfs/dbraw/zinc/90/22/20/553902220.db2.gz	DGUYKRJKXXHXSA-YLJYHZDGSA-N	1	1	364.534	2.213	20	30		FEEDMO
Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000329224844	553905969	/nfs/dbraw/zinc/90/59/69/553905969.db2.gz	FTWRWMAPEHHXPX-OWLYRPNTSA-N	1	1	373.501	2.113	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)C[C@H]1[NH+]1CCOCC1	ZINC000329310386	553922450	/nfs/dbraw/zinc/92/24/50/553922450.db2.gz	ZJWVXUTVEVCVLJ-UTSKFRMZSA-N	1	1	353.507	2.003	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C	ZINC000329361744	553932265	/nfs/dbraw/zinc/93/22/65/553932265.db2.gz	IPUBZMOYLQNRAG-SQWLQELKSA-N	1	1	368.522	2.211	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21	ZINC000329459386	553950627	/nfs/dbraw/zinc/95/06/27/553950627.db2.gz	RKMVYIRWTFVWFQ-VDHUWJSZSA-N	1	1	356.470	2.472	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](c2nccn2C)C2CCOCC2)C[C@@H]1C	ZINC000329456820	553950738	/nfs/dbraw/zinc/95/07/38/553950738.db2.gz	NBWCGIASEDJZIM-ZOBUZTSGSA-N	1	1	363.506	2.216	20	30		FEEDMO
CN(C(=O)N[C@@H]1CCOC2(CCOCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000329460741	553951043	/nfs/dbraw/zinc/95/10/43/553951043.db2.gz	SFPLPWUCIPOKMA-VPSFDDGASA-N	1	1	351.491	2.186	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC000329466334	553951726	/nfs/dbraw/zinc/95/17/26/553951726.db2.gz	RXRLQPJTJQXZAA-OLZOCXBDSA-N	1	1	362.861	2.186	20	30		FEEDMO
Cc1cc(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)nc(C)n1	ZINC000329572834	553969344	/nfs/dbraw/zinc/96/93/44/553969344.db2.gz	JGQNGHCQQVQSQI-UHFFFAOYSA-N	1	1	367.453	2.046	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)[C@@]12CCCO2	ZINC000329606794	553975690	/nfs/dbraw/zinc/97/56/90/553975690.db2.gz	ZZEGAYNQUVDCAN-RDHIYWLCSA-N	1	1	351.491	2.043	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ncn(C(C)(C)C)n1	ZINC000329624615	553978958	/nfs/dbraw/zinc/97/89/58/553978958.db2.gz	OGRBUZVMNBWEAG-ZBFHGGJFSA-N	1	1	356.474	2.880	20	30		FEEDMO
CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3cc(C)nc(C)n3)cc2)CC1	ZINC000329671969	553986052	/nfs/dbraw/zinc/98/60/52/553986052.db2.gz	NJCSRUIPNLMKPW-UHFFFAOYSA-N	1	1	367.453	2.394	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC(=O)N(c2ccccc2F)C1	ZINC000329791666	554006939	/nfs/dbraw/zinc/00/69/39/554006939.db2.gz	DWYQBYLQMWJAKO-XHSDSOJGSA-N	1	1	374.460	2.404	20	30		FEEDMO
CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)CC2CCOCC2)cc[nH+]1	ZINC000329950440	554037378	/nfs/dbraw/zinc/03/73/78/554037378.db2.gz	MIFMRJWDTMXXFG-GJZGRUSLSA-N	1	1	365.453	2.233	20	30		FEEDMO
CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1	ZINC000329974017	554042122	/nfs/dbraw/zinc/04/21/22/554042122.db2.gz	YXKOQCZHPGFLSJ-GOEBONIOSA-N	1	1	357.520	2.022	20	30		FEEDMO
Cc1cc2ncc(C(=O)NC(C)(C)CCN3CC[NH+](C)CC3)c(C)n2n1	ZINC000329996686	554046166	/nfs/dbraw/zinc/04/61/66/554046166.db2.gz	PGOJUAOQJMDCHF-UHFFFAOYSA-N	1	1	358.490	2.067	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C2CCC(NC(=O)C3CC3)CC2)CC[N@H+]1C[C@@H](C)O	ZINC000330009041	554048466	/nfs/dbraw/zinc/04/84/66/554048466.db2.gz	FXCBOBWOQNHVMN-AGERRDQYSA-N	1	1	365.518	2.215	20	30		FEEDMO
Cc1ccnc(OC2CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)c1	ZINC000330201525	554084374	/nfs/dbraw/zinc/08/43/74/554084374.db2.gz	XXKDCCYHZOJJBA-HNNXBMFYSA-N	1	1	355.442	2.359	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3CC)cc2C1=O	ZINC000330238676	554091089	/nfs/dbraw/zinc/09/10/89/554091089.db2.gz	ZYZAQOPHIGUDJT-JKSUJKDBSA-N	1	1	367.449	2.167	20	30		FEEDMO
CCN1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CC3)cn2)CC1	ZINC000330270959	554097265	/nfs/dbraw/zinc/09/72/65/554097265.db2.gz	VBZYKQAWJICHOW-GOSISDBHSA-N	1	1	357.502	2.307	20	30		FEEDMO
CCN1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@H+]3C3CC3)cn2)CC1	ZINC000330270959	554097267	/nfs/dbraw/zinc/09/72/67/554097267.db2.gz	VBZYKQAWJICHOW-GOSISDBHSA-N	1	1	357.502	2.307	20	30		FEEDMO
[O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](c2noc(C3CC3)n2)C1	ZINC000330277358	554098342	/nfs/dbraw/zinc/09/83/42/554098342.db2.gz	OCFNSGNCXDNWRS-UONOGXRCSA-N	1	1	356.430	2.252	20	30		FEEDMO
Cc1c([C@@H]2[C@H](C(=O)NCC[N@@H+]3CCCC[C@H]3C)CC(=O)N2C)cnn1C	ZINC000330289043	554100063	/nfs/dbraw/zinc/10/00/63/554100063.db2.gz	DNLVAHLYYVKACX-SIIHOXLZSA-N	1	1	361.490	2.079	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)C1	ZINC000330311446	554103731	/nfs/dbraw/zinc/10/37/31/554103731.db2.gz	VSSLBKKEFPKHKO-AYOQOUSVSA-N	1	1	359.470	2.273	20	30		FEEDMO
Cc1nsc(N2CCN(C(=O)CC[N@@H+]3CCCC[C@H]3C)CC2)c1C#N	ZINC000330315480	554104141	/nfs/dbraw/zinc/10/41/41/554104141.db2.gz	PQUYFLNKLAEVKB-CQSZACIVSA-N	1	1	361.515	2.236	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)N[C@@H]3CCOC[C@@H]3C)CC2)C[C@H](C)O1	ZINC000330321225	554105031	/nfs/dbraw/zinc/10/50/31/554105031.db2.gz	FTJMZKANFRISTG-LISAXSMJSA-N	1	1	353.507	2.147	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000330368858	554111933	/nfs/dbraw/zinc/11/19/33/554111933.db2.gz	AQHHRGAXJARNEA-SOLBZPMBSA-N	1	1	364.515	2.138	20	30		FEEDMO
CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1	ZINC000330570484	554139758	/nfs/dbraw/zinc/13/97/58/554139758.db2.gz	NMXQCONZXPQBCS-GOSISDBHSA-N	1	1	367.877	2.148	20	30		FEEDMO
CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1	ZINC000330570484	554139760	/nfs/dbraw/zinc/13/97/60/554139760.db2.gz	NMXQCONZXPQBCS-GOSISDBHSA-N	1	1	367.877	2.148	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1	ZINC000330906998	554186446	/nfs/dbraw/zinc/18/64/46/554186446.db2.gz	CDBDFGZHVNOEEV-OLZOCXBDSA-N	1	1	355.479	2.257	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1	ZINC000330906998	554186449	/nfs/dbraw/zinc/18/64/49/554186449.db2.gz	CDBDFGZHVNOEEV-OLZOCXBDSA-N	1	1	355.479	2.257	20	30		FEEDMO
Cc1cc(CCNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc(C)c1O	ZINC000330944943	554192219	/nfs/dbraw/zinc/19/22/19/554192219.db2.gz	FVMHIFLSUPNTPU-MRXNPFEDSA-N	1	1	363.502	2.243	20	30		FEEDMO
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCC([N@@H+](C)CCO)CC1	ZINC000331192307	554228766	/nfs/dbraw/zinc/22/87/66/554228766.db2.gz	XFTBTPHGGWADGR-CQSZACIVSA-N	1	1	365.522	2.310	20	30		FEEDMO
CC1(C)CCC[N@@H+](CCNS(=O)(=O)Cc2ccc(F)cc2C#N)C1	ZINC000331352952	554250132	/nfs/dbraw/zinc/25/01/32/554250132.db2.gz	ZSAFJOZRLVDVPM-UHFFFAOYSA-N	1	1	353.463	2.239	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N	ZINC000331480078	554271568	/nfs/dbraw/zinc/27/15/68/554271568.db2.gz	JKTCDFSOASWRFK-HZMBPMFUSA-N	1	1	373.400	2.338	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)c1ccc(C#N)c(O)c1	ZINC000331736545	554318287	/nfs/dbraw/zinc/31/82/87/554318287.db2.gz	UAQVQOPVVUSBAF-QFBILLFUSA-N	1	1	367.453	2.152	20	30		FEEDMO
Cc1cc(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ncc1C#N	ZINC000332100297	554380484	/nfs/dbraw/zinc/38/04/84/554380484.db2.gz	DWSWPABYGYBWAH-IYBDPMFKSA-N	1	1	356.470	2.223	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([N@@H+]3CC[C@H](CC(F)(F)F)C3)C2=O)cc1	ZINC000555829803	674378015	/nfs/dbraw/zinc/37/80/15/674378015.db2.gz	GZQKRNAWFWFCSO-TZMCWYRMSA-N	1	1	351.328	2.464	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CC[C@H](CC(F)(F)F)C3)C2=O)cc1	ZINC000555829803	674378017	/nfs/dbraw/zinc/37/80/17/674378017.db2.gz	GZQKRNAWFWFCSO-TZMCWYRMSA-N	1	1	351.328	2.464	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1	ZINC000332667930	554493830	/nfs/dbraw/zinc/49/38/30/554493830.db2.gz	MIWCSTLUJUSJLN-QWHCGFSZSA-N	1	1	372.860	2.954	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H](N4CCCC4=O)CC3)C2=O)cc1	ZINC000333684437	554633088	/nfs/dbraw/zinc/63/30/88/554633088.db2.gz	AFOIEYGELUDCQG-MJGOQNOKSA-N	1	1	366.465	2.140	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](N2CCCC2=O)CC1	ZINC000334017558	554668540	/nfs/dbraw/zinc/66/85/40/554668540.db2.gz	BTYZOEJUPOUKTC-SJORKVTESA-N	1	1	360.502	2.194	20	30		FEEDMO
N#Cc1cc2c(nc1NCC1([NH+]3CCOCC3)CCOCC1)CCCC2	ZINC000334017855	554668724	/nfs/dbraw/zinc/66/87/24/554668724.db2.gz	BUPFTFNHIQIAMW-UHFFFAOYSA-N	1	1	356.470	2.125	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@H](N3CCCC3=O)CC2)C1=O	ZINC000334040740	554671771	/nfs/dbraw/zinc/67/17/71/554671771.db2.gz	OILRUMOQVOIAHP-JKSUJKDBSA-N	1	1	372.494	2.202	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@H](N3CCCC3=O)CC2)C1=O	ZINC000334040740	554671772	/nfs/dbraw/zinc/67/17/72/554671772.db2.gz	OILRUMOQVOIAHP-JKSUJKDBSA-N	1	1	372.494	2.202	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2)CC1	ZINC000360853156	554892702	/nfs/dbraw/zinc/89/27/02/554892702.db2.gz	XMHAXDUWPQXPPU-UYAOXDASSA-N	1	1	369.513	2.499	20	30		FEEDMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2)CC1	ZINC000360853156	554892703	/nfs/dbraw/zinc/89/27/03/554892703.db2.gz	XMHAXDUWPQXPPU-UYAOXDASSA-N	1	1	369.513	2.499	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1	ZINC000362356327	554965889	/nfs/dbraw/zinc/96/58/89/554965889.db2.gz	HDYGCTZSLXIVHC-MRXNPFEDSA-N	1	1	367.396	2.423	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1	ZINC000362356327	554965891	/nfs/dbraw/zinc/96/58/91/554965891.db2.gz	HDYGCTZSLXIVHC-MRXNPFEDSA-N	1	1	367.396	2.423	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2CN2CCCC2=O)cc1	ZINC000362776209	554987817	/nfs/dbraw/zinc/98/78/17/554987817.db2.gz	TYBXMUYGDHOTDU-SFHVURJKSA-N	1	1	354.454	2.364	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC1	ZINC000362942900	555001344	/nfs/dbraw/zinc/00/13/44/555001344.db2.gz	QZARNHWANKFXGA-SFHVURJKSA-N	1	1	354.454	2.364	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1	ZINC000363104308	555031668	/nfs/dbraw/zinc/03/16/68/555031668.db2.gz	NSMGKOIPIMRDKI-CTNGQTDRSA-N	1	1	368.481	2.489	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CC[N@H+](C)C[C@@H]3C)C2)n1	ZINC000363114222	555033544	/nfs/dbraw/zinc/03/35/44/555033544.db2.gz	PFBMREZESMNUGS-SNRMKQJTSA-N	1	1	369.513	2.277	20	30		FEEDMO
C[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)C[NH+]1CCOCC1	ZINC000363293011	555072517	/nfs/dbraw/zinc/07/25/17/555072517.db2.gz	SEENHRXCWQPRFB-MISYRCLQSA-N	1	1	370.497	2.436	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1CN1CCCC1=O	ZINC000363524933	555128017	/nfs/dbraw/zinc/12/80/17/555128017.db2.gz	JGZKORXTNPEBRB-QGZVFWFLSA-N	1	1	354.454	2.364	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000363697021	555166370	/nfs/dbraw/zinc/16/63/70/555166370.db2.gz	BUPKUQYWZVZFPV-HNNXBMFYSA-N	1	1	370.432	2.736	20	30		FEEDMO
C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@H+]1C	ZINC000363716436	555170796	/nfs/dbraw/zinc/17/07/96/555170796.db2.gz	RPILFCVJTAAFNF-ZFWWWQNUSA-N	1	1	370.432	2.829	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCN(c2cccnn2)CC1	ZINC000363916377	555213428	/nfs/dbraw/zinc/21/34/28/555213428.db2.gz	BSCDSLULPTUVIW-UHFFFAOYSA-N	1	1	370.482	2.339	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](C[C@@H](O)CCc2ccccc2)C[C@]12C(=O)Nc1ccccc12	ZINC000364944404	555445657	/nfs/dbraw/zinc/44/56/57/555445657.db2.gz	OATPWRNTDIMFIX-FGSXEWAUSA-N	1	1	361.445	2.326	20	30		FEEDMO
N#C[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)C[C@]12C(=O)Nc1ccccc12	ZINC000364944404	555445660	/nfs/dbraw/zinc/44/56/60/555445660.db2.gz	OATPWRNTDIMFIX-FGSXEWAUSA-N	1	1	361.445	2.326	20	30		FEEDMO
FC(F)OC[C@@H]1CCN(CC#CC[N@@H+]2CC[C@@H](COC(F)F)C2)C1	ZINC000512838131	561917355	/nfs/dbraw/zinc/91/73/55/561917355.db2.gz	BKYSENXZCUCVKO-ZIAGYGMSSA-N	1	1	352.372	2.112	20	30		FEEDMO
FC(F)OC[C@@H]1CCN(CC#CC[N@H+]2CC[C@@H](COC(F)F)C2)C1	ZINC000512838131	561917358	/nfs/dbraw/zinc/91/73/58/561917358.db2.gz	BKYSENXZCUCVKO-ZIAGYGMSSA-N	1	1	352.372	2.112	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000365222031	555515163	/nfs/dbraw/zinc/51/51/63/555515163.db2.gz	JQICTYHTJAYSKC-JKSUJKDBSA-N	1	1	364.490	2.080	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000365357296	555552441	/nfs/dbraw/zinc/55/24/41/555552441.db2.gz	KLVXEBKRHTULDK-JKSUJKDBSA-N	1	1	357.454	2.037	20	30		FEEDMO
Cc1oc(NC(=O)C[N@H+](C)C2CCN(c3cnccn3)CC2)c(C#N)c1C	ZINC000366101348	555751749	/nfs/dbraw/zinc/75/17/49/555751749.db2.gz	ANBCVEZAOWOWJO-UHFFFAOYSA-N	1	1	368.441	2.097	20	30		FEEDMO
CCOC(=O)CCCCC[N@H+]1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000513659954	561946253	/nfs/dbraw/zinc/94/62/53/561946253.db2.gz	IKYYROWTLMWCIR-QRWLVFNGSA-N	1	1	355.438	2.455	20	30		FEEDMO
O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCC#Cc1cccc(F)c1	ZINC000513920099	561954536	/nfs/dbraw/zinc/95/45/36/561954536.db2.gz	JSEGTDXFZSHDEX-UHFFFAOYSA-N	1	1	365.452	2.111	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000366427515	555840611	/nfs/dbraw/zinc/84/06/11/555840611.db2.gz	CNWRDSZPYRKEPS-OAHLLOKOSA-N	1	1	367.434	2.368	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000366619197	555892167	/nfs/dbraw/zinc/89/21/67/555892167.db2.gz	IAJUEIIZVIQIML-LJQANCHMSA-N	1	1	352.438	2.178	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CCN(C3CCCC3)CC2)cc1	ZINC000514599972	561969006	/nfs/dbraw/zinc/96/90/06/561969006.db2.gz	SMUOWRWSWNMXFU-UHFFFAOYSA-N	1	1	361.511	2.329	20	30		FEEDMO
C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000366960974	555983270	/nfs/dbraw/zinc/98/32/70/555983270.db2.gz	KAMMCDUIHOGXJY-IBGZPJMESA-N	1	1	372.432	2.243	20	30		FEEDMO
C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000366960974	555983271	/nfs/dbraw/zinc/98/32/71/555983271.db2.gz	KAMMCDUIHOGXJY-IBGZPJMESA-N	1	1	372.432	2.243	20	30		FEEDMO
Cc1cc(C#N)nc(N(C)[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1	ZINC000367333454	556021179	/nfs/dbraw/zinc/02/11/79/556021179.db2.gz	RONHAHSTDXEUAR-APWZRJJASA-N	1	1	351.454	2.382	20	30		FEEDMO
Cc1cc(C#N)nc(N(C)[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1	ZINC000367333454	556021180	/nfs/dbraw/zinc/02/11/80/556021180.db2.gz	RONHAHSTDXEUAR-APWZRJJASA-N	1	1	351.454	2.382	20	30		FEEDMO
CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(OCCCC#N)c2)C1	ZINC000367689460	556115292	/nfs/dbraw/zinc/11/52/92/556115292.db2.gz	VPXSTBSWFUOIDA-SFHVURJKSA-N	1	1	365.499	2.225	20	30		FEEDMO
CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1	ZINC000367689460	556115294	/nfs/dbraw/zinc/11/52/94/556115294.db2.gz	VPXSTBSWFUOIDA-SFHVURJKSA-N	1	1	365.499	2.225	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000367851575	556154760	/nfs/dbraw/zinc/15/47/60/556154760.db2.gz	AXODCLSYKJGIQZ-CABCVRRESA-N	1	1	370.453	2.049	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](Cc2ccc(F)c(F)c2)C1	ZINC000368822729	556423157	/nfs/dbraw/zinc/42/31/57/556423157.db2.gz	GAOFPRRMTBYYKG-MRXNPFEDSA-N	1	1	360.408	2.485	20	30		FEEDMO
Cc1noc(C)c1CO[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000368853072	556429981	/nfs/dbraw/zinc/42/99/81/556429981.db2.gz	ICDKJLXGAUAJGA-HKUYNNGSSA-N	1	1	371.437	2.194	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CC[C@H](n2cncn2)C1)c1cccc(Cl)c1	ZINC000368883032	556437948	/nfs/dbraw/zinc/43/79/48/556437948.db2.gz	VFPZBJXNMPHKCI-INIZCTEOSA-N	1	1	358.833	2.125	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CC[C@H](n2cncn2)C1)c1cccc(Cl)c1	ZINC000368883032	556437949	/nfs/dbraw/zinc/43/79/49/556437949.db2.gz	VFPZBJXNMPHKCI-INIZCTEOSA-N	1	1	358.833	2.125	20	30		FEEDMO
N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1	ZINC000368884089	556438640	/nfs/dbraw/zinc/43/86/40/556438640.db2.gz	NYZDTHWUPSVLOY-ZWKOTPCHSA-N	1	1	353.470	2.017	20	30		FEEDMO
COC(=O)c1ccc(Cl)c(C[NH+]2CCC(n3cnc(C#N)n3)CC2)c1	ZINC000369384539	556586391	/nfs/dbraw/zinc/58/63/91/556586391.db2.gz	SBEOXHSNLLQMRN-UHFFFAOYSA-N	1	1	359.817	2.427	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1	ZINC000369385460	556586912	/nfs/dbraw/zinc/58/69/12/556586912.db2.gz	KJSHEZBKNFJUAC-QGZVFWFLSA-N	1	1	354.454	2.221	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)cc1	ZINC000369385460	556586913	/nfs/dbraw/zinc/58/69/13/556586913.db2.gz	KJSHEZBKNFJUAC-QGZVFWFLSA-N	1	1	354.454	2.221	20	30		FEEDMO
CC(C)(C#N)c1ccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1	ZINC000369532803	556623051	/nfs/dbraw/zinc/62/30/51/556623051.db2.gz	QFMNSBDSMZBFQA-SFHVURJKSA-N	1	1	368.481	2.042	20	30		FEEDMO
C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3c(C#N)cnc4ccccc43)C2)CC1	ZINC000369695642	556670861	/nfs/dbraw/zinc/67/08/61/556670861.db2.gz	IIYGBPFWTGNVCA-MRXNPFEDSA-N	1	1	363.465	2.097	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCC[N@H+]2CC(=O)N(C)C2(C#N)CCCCC2)n1	ZINC000369784722	556694427	/nfs/dbraw/zinc/69/44/27/556694427.db2.gz	QJSMRBCKWJMXBN-QGZVFWFLSA-N	1	1	358.490	2.044	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)N(C)C2(C#N)CCCCC2)n1	ZINC000369784722	556694431	/nfs/dbraw/zinc/69/44/31/556694431.db2.gz	QJSMRBCKWJMXBN-QGZVFWFLSA-N	1	1	358.490	2.044	20	30		FEEDMO
CC(C)[NH+]1CCN(C2CCN(Cc3cnc4ccc(C#N)cn34)CC2)CC1	ZINC000370342427	556845228	/nfs/dbraw/zinc/84/52/28/556845228.db2.gz	VBJOHONANXEQIX-UHFFFAOYSA-N	1	1	366.513	2.196	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c(C#N)c1C	ZINC000370409117	556864793	/nfs/dbraw/zinc/86/47/93/556864793.db2.gz	BBTVNPUFZRWEAA-BFUOFWGJSA-N	1	1	358.442	2.039	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c(C#N)c1C	ZINC000370409117	556864795	/nfs/dbraw/zinc/86/47/95/556864795.db2.gz	BBTVNPUFZRWEAA-BFUOFWGJSA-N	1	1	358.442	2.039	20	30		FEEDMO
CCc1nc(CN2C[C@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@@H]3C2)no1	ZINC000370413645	556865857	/nfs/dbraw/zinc/86/58/57/556865857.db2.gz	GZMALAOQDDBENC-HZPDHXFCSA-N	1	1	355.417	2.207	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCCC[C@@H]3[C@@H]3CNC(=O)C3)C2=O)cc1	ZINC000370500031	556892084	/nfs/dbraw/zinc/89/20/84/556892084.db2.gz	OSLGEHCLLHFWTF-UHOSZYNNSA-N	1	1	366.465	2.044	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1	ZINC000371250080	557119468	/nfs/dbraw/zinc/11/94/68/557119468.db2.gz	RXICUJVSNNIARW-HNNXBMFYSA-N	1	1	374.460	2.139	20	30		FEEDMO
CN1CCC(C#N)(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC1	ZINC000517345567	562086037	/nfs/dbraw/zinc/08/60/37/562086037.db2.gz	HFKIYCJBBYRJLW-KRWDZBQOSA-N	1	1	358.461	2.142	20	30		FEEDMO
CN1CCC(C#N)(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1	ZINC000517345567	562086039	/nfs/dbraw/zinc/08/60/39/562086039.db2.gz	HFKIYCJBBYRJLW-KRWDZBQOSA-N	1	1	358.461	2.142	20	30		FEEDMO
CCNC(=O)NC(=O)C[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000371834213	557306914	/nfs/dbraw/zinc/30/69/14/557306914.db2.gz	HZZLYCABGUGFCA-LLVKDONJSA-N	1	1	357.439	2.178	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21	ZINC000372297664	557432956	/nfs/dbraw/zinc/43/29/56/557432956.db2.gz	JLJUWDLDTXJFGK-QGZVFWFLSA-N	1	1	351.406	2.249	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21	ZINC000372297664	557432958	/nfs/dbraw/zinc/43/29/58/557432958.db2.gz	JLJUWDLDTXJFGK-QGZVFWFLSA-N	1	1	351.406	2.249	20	30		FEEDMO
Cc1cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)nn1-c1cccc(C#N)c1	ZINC000372373120	557453239	/nfs/dbraw/zinc/45/32/39/557453239.db2.gz	BLXBOIHOKCYKAW-MAUKXSAKSA-N	1	1	364.453	2.753	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCCN(CC(=O)NC(C)C)CC2)cc1	ZINC000372391975	557458358	/nfs/dbraw/zinc/45/83/58/557458358.db2.gz	RCWAFRPAPXBFIX-UHFFFAOYSA-N	1	1	357.498	2.121	20	30		FEEDMO
C#CCCOc1ccc(CN2CCC[N@@H+](CC(=O)NC(C)C)CC2)cc1	ZINC000372391975	557458364	/nfs/dbraw/zinc/45/83/64/557458364.db2.gz	RCWAFRPAPXBFIX-UHFFFAOYSA-N	1	1	357.498	2.121	20	30		FEEDMO
C#CCCOc1ccc(CN2CCC[N@H+](CC(=O)NC(C)C)CC2)cc1	ZINC000372391975	557458367	/nfs/dbraw/zinc/45/83/67/557458367.db2.gz	RCWAFRPAPXBFIX-UHFFFAOYSA-N	1	1	357.498	2.121	20	30		FEEDMO
CN1CCC[C@@]2(CC[N@@H+](CC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1=O	ZINC000372504055	557488151	/nfs/dbraw/zinc/48/81/51/557488151.db2.gz	KFLNYODLVCPWJB-SFHVURJKSA-N	1	1	360.845	2.094	20	30		FEEDMO
CO[C@@H](C)c1nc(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)cs1	ZINC000519595041	562136314	/nfs/dbraw/zinc/13/63/14/562136314.db2.gz	GCTQKOQQDGGZRU-XJKSGUPXSA-N	1	1	361.467	2.446	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)cc1	ZINC000372797585	557564380	/nfs/dbraw/zinc/56/43/80/557564380.db2.gz	BGAKHPFHJOSHBY-HOTGVXAUSA-N	1	1	356.451	2.399	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCO[C@@H]3C3CC3)CC2)cc1	ZINC000372858914	557577123	/nfs/dbraw/zinc/57/71/23/557577123.db2.gz	SPKOMFKUWDJZKY-VQTJNVASSA-N	1	1	368.481	2.343	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1cccc(OCC#N)c1	ZINC000372863303	557577922	/nfs/dbraw/zinc/57/79/22/557577922.db2.gz	MNYJYVXIFRXMDB-NSISKUIASA-N	1	1	371.481	2.137	20	30		FEEDMO
CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1	ZINC000373126337	557634235	/nfs/dbraw/zinc/63/42/35/557634235.db2.gz	UHVLJJQPYAQMLR-OAHLLOKOSA-N	1	1	359.455	2.032	20	30		FEEDMO
CS(=O)(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1	ZINC000373126337	557634237	/nfs/dbraw/zinc/63/42/37/557634237.db2.gz	UHVLJJQPYAQMLR-OAHLLOKOSA-N	1	1	359.455	2.032	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000373254144	557659266	/nfs/dbraw/zinc/65/92/66/557659266.db2.gz	GQMDFFCWLIYZRY-SBHAEUEKSA-N	1	1	358.482	2.063	20	30		FEEDMO
Cc1cccc(C[NH+]2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)c1	ZINC000520173114	562149874	/nfs/dbraw/zinc/14/98/74/562149874.db2.gz	LUCMQOHNVXDRKZ-UHFFFAOYSA-N	1	1	362.477	2.301	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)CC2)n1	ZINC000373401098	557687105	/nfs/dbraw/zinc/68/71/05/557687105.db2.gz	UYKMALPMMQBRKV-MRXNPFEDSA-N	1	1	370.844	2.246	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccccc2CC#N)CC1=O	ZINC000520426321	562156367	/nfs/dbraw/zinc/15/63/67/562156367.db2.gz	FBUFFUUZSMWLNE-IAGOWNOFSA-N	1	1	354.454	2.024	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000373700196	557741407	/nfs/dbraw/zinc/74/14/07/557741407.db2.gz	LSGCVXREKOXSAT-QFBILLFUSA-N	1	1	368.481	2.040	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCC3(CC#N)CC3)C2)cc(OC)c1	ZINC000373764149	557754025	/nfs/dbraw/zinc/75/40/25/557754025.db2.gz	AZJGCYFAJMCWCZ-INIZCTEOSA-N	1	1	372.469	2.271	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)NCC3(CC#N)CC3)C2)cc(OC)c1	ZINC000373764149	557754026	/nfs/dbraw/zinc/75/40/26/557754026.db2.gz	AZJGCYFAJMCWCZ-INIZCTEOSA-N	1	1	372.469	2.271	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1	ZINC000373805262	557762947	/nfs/dbraw/zinc/76/29/47/557762947.db2.gz	BZXYHVLUAMSCEP-YYFZDKIDSA-N	1	1	371.485	2.136	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000520595362	562159863	/nfs/dbraw/zinc/15/98/63/562159863.db2.gz	WYLPVDHSWDFHHA-GPMSIDNRSA-N	1	1	350.507	2.058	20	30		FEEDMO
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC(=O)N(CCC#N)CCC#N)C1	ZINC000373909823	557784754	/nfs/dbraw/zinc/78/47/54/557784754.db2.gz	DSLIRZGBMNPXDI-HCXYKTFWSA-N	1	1	360.502	2.294	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1	ZINC000373982940	557800725	/nfs/dbraw/zinc/80/07/25/557800725.db2.gz	ONJPFUAYIKLTQQ-LJQANCHMSA-N	1	1	354.454	2.196	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1c1ccccc1	ZINC000374074629	557819141	/nfs/dbraw/zinc/81/91/41/557819141.db2.gz	MHQCIPFMOXDYCP-ZWKOTPCHSA-N	1	1	369.465	2.218	20	30		FEEDMO
COC(=O)[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)C[C@H]1c1ccccc1	ZINC000374074629	557819144	/nfs/dbraw/zinc/81/91/44/557819144.db2.gz	MHQCIPFMOXDYCP-ZWKOTPCHSA-N	1	1	369.465	2.218	20	30		FEEDMO
N#C[C@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@@]12C(=O)Nc1ccccc12	ZINC000374363585	557871925	/nfs/dbraw/zinc/87/19/25/557871925.db2.gz	CJXSELLFDDBWLB-BLLLJJGKSA-N	1	1	353.344	2.301	20	30		FEEDMO
N#C[C@H]1C[N@H+](CCCOCC(F)(F)F)C[C@@]12C(=O)Nc1ccccc12	ZINC000374363585	557871927	/nfs/dbraw/zinc/87/19/27/557871927.db2.gz	CJXSELLFDDBWLB-BLLLJJGKSA-N	1	1	353.344	2.301	20	30		FEEDMO
CN(C(=O)CC[N@@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)c1ccccc1	ZINC000374385038	557876351	/nfs/dbraw/zinc/87/63/51/557876351.db2.gz	KKEFUGOEAIXBEW-KSFYIVLOSA-N	1	1	374.444	2.385	20	30		FEEDMO
CN(C(=O)CC[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)c1ccccc1	ZINC000374385038	557876352	/nfs/dbraw/zinc/87/63/52/557876352.db2.gz	KKEFUGOEAIXBEW-KSFYIVLOSA-N	1	1	374.444	2.385	20	30		FEEDMO
COc1ccc([C@H](O)[C@@H]2CCC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)cc1	ZINC000374418865	557881536	/nfs/dbraw/zinc/88/15/36/557881536.db2.gz	FSSGGFBAYYXXLA-YSIASYRMSA-N	1	1	357.454	2.001	20	30		FEEDMO
COc1ccc([C@H](O)[C@@H]2CCC[N@H+]2CC(=O)N[C@](C)(C#N)C2CC2)cc1	ZINC000374418865	557881537	/nfs/dbraw/zinc/88/15/37/557881537.db2.gz	FSSGGFBAYYXXLA-YSIASYRMSA-N	1	1	357.454	2.001	20	30		FEEDMO
CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1	ZINC000374827941	557937305	/nfs/dbraw/zinc/93/73/05/557937305.db2.gz	ORMWYKJEKNPXTI-AEFFLSMTSA-N	1	1	353.426	2.153	20	30		FEEDMO
CCS(=O)(=O)NCC[NH2+][C@H](C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000374955246	557956088	/nfs/dbraw/zinc/95/60/88/557956088.db2.gz	PVWWQQNSBVPXKW-GFCCVEGCSA-N	1	1	364.496	2.272	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]21	ZINC000375021471	557965600	/nfs/dbraw/zinc/96/56/00/557965600.db2.gz	OUCBTEGHWWPHKJ-BBRMVZONSA-N	1	1	358.511	2.463	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2ccc(C#N)c(Cl)n2)C[C@@H](C)O1	ZINC000375085132	557975538	/nfs/dbraw/zinc/97/55/38/557975538.db2.gz	QEHAJCVBLBMVHE-UMVBOHGHSA-N	1	1	362.861	2.320	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](n3cncn3)C2)c1	ZINC000375321187	558008589	/nfs/dbraw/zinc/00/85/89/558008589.db2.gz	VQHGMANMKVUUKO-KRWDZBQOSA-N	1	1	352.442	2.089	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](n3cncn3)C2)c1	ZINC000375321187	558008590	/nfs/dbraw/zinc/00/85/90/558008590.db2.gz	VQHGMANMKVUUKO-KRWDZBQOSA-N	1	1	352.442	2.089	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCCC[C@@H]3Cn3ccnn3)C2=O)cc1	ZINC000375692295	558068420	/nfs/dbraw/zinc/06/84/20/558068420.db2.gz	OTLZIJKXTPEAEI-RTBURBONSA-N	1	1	364.453	2.200	20	30		FEEDMO
Cc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000376292389	558153553	/nfs/dbraw/zinc/15/35/53/558153553.db2.gz	CRVDPMPQPMKXIJ-UHFFFAOYSA-N	1	1	359.451	2.356	20	30		FEEDMO
Cc1ccccc1C[N@H+]1CCCN(S(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000376292389	558153554	/nfs/dbraw/zinc/15/35/54/558153554.db2.gz	CRVDPMPQPMKXIJ-UHFFFAOYSA-N	1	1	359.451	2.356	20	30		FEEDMO
N#CC1CCC(CNC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1	ZINC000376388211	558166908	/nfs/dbraw/zinc/16/69/08/558166908.db2.gz	SGONLVCZQYWILM-OTGCGEFBSA-N	1	1	370.497	2.251	20	30		FEEDMO
C[C@@H](NCC(=O)N1CC[NH+](C)CC1)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000376842372	558228617	/nfs/dbraw/zinc/22/86/17/558228617.db2.gz	MEDJEBLGJLTVIQ-CQSZACIVSA-N	1	1	369.494	2.106	20	30		FEEDMO
C=CC[C@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)c1ccccc1	ZINC000376906458	558237196	/nfs/dbraw/zinc/23/71/96/558237196.db2.gz	FMSKFNZJIINZIY-RBUKOAKNSA-N	1	1	355.482	2.287	20	30		FEEDMO
CC(C)c1nc(CN2CCC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)CC2)no1	ZINC000378143908	558490323	/nfs/dbraw/zinc/49/03/23/558490323.db2.gz	PYDBAURVQWHIGA-GOSISDBHSA-N	1	1	369.469	2.306	20	30		FEEDMO
Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)cn1	ZINC000378357591	558537737	/nfs/dbraw/zinc/53/77/37/558537737.db2.gz	CKFFBKHZPGWEER-PKOBYXMFSA-N	1	1	367.453	2.208	20	30		FEEDMO
CCCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000523607392	562215850	/nfs/dbraw/zinc/21/58/50/562215850.db2.gz	XIJMOINCYXXOBE-JTDSTZFVSA-N	1	1	350.507	2.058	20	30		FEEDMO
C[C@@H]1CCOCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000378504284	558571752	/nfs/dbraw/zinc/57/17/52/558571752.db2.gz	OXFRVXJDINDSSP-CQSZACIVSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[C@@H]1CCOCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000378504284	558571754	/nfs/dbraw/zinc/57/17/54/558571754.db2.gz	OXFRVXJDINDSSP-CQSZACIVSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC(C)(C#N)CC1	ZINC000408159600	558652595	/nfs/dbraw/zinc/65/25/95/558652595.db2.gz	QUTDGBQTUMQMEI-INIZCTEOSA-N	1	1	358.461	2.488	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H](c1ccsc1)[NH+](CC)CC	ZINC000409575711	558704456	/nfs/dbraw/zinc/70/44/56/558704456.db2.gz	KXWYUZMHLSNJGI-GDBMZVCRSA-N	1	1	372.560	2.447	20	30		FEEDMO
N#CC1(CCC[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)CCOCC1	ZINC000410391539	558754383	/nfs/dbraw/zinc/75/43/83/558754383.db2.gz	MBTWUGITKASGEK-GOSISDBHSA-N	1	1	363.502	2.190	20	30		FEEDMO
C=CC[N@H+](CC1CCCCC1)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC000411263947	558863360	/nfs/dbraw/zinc/86/33/60/558863360.db2.gz	UILBDWKNXPZGBV-WBVHZDCISA-N	1	1	356.532	2.089	20	30		FEEDMO
C=CC[N@@H+](CC1CCCCC1)[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1	ZINC000411263947	558863362	/nfs/dbraw/zinc/86/33/62/558863362.db2.gz	UILBDWKNXPZGBV-WBVHZDCISA-N	1	1	356.532	2.089	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H](O)C(F)(F)F	ZINC000411435753	558894845	/nfs/dbraw/zinc/89/48/45/558894845.db2.gz	DUBURUYVRJFLEE-GFCCVEGCSA-N	1	1	361.389	2.292	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1	ZINC000411663598	558938554	/nfs/dbraw/zinc/93/85/54/558938554.db2.gz	DBQPLUUEGLAYQF-HNNXBMFYSA-N	1	1	372.469	2.132	20	30		FEEDMO
N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1	ZINC000525990238	562262484	/nfs/dbraw/zinc/26/24/84/562262484.db2.gz	WKJYJMWSACZLGF-MRXNPFEDSA-N	1	1	354.454	2.348	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@](O)(C(F)F)C2)sc2c1CCC2	ZINC000411801676	558966176	/nfs/dbraw/zinc/96/61/76/558966176.db2.gz	NCRFNAPIMNDJNQ-MRXNPFEDSA-N	1	1	355.410	2.139	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C(=O)N(C)C)C1	ZINC000411933368	558990800	/nfs/dbraw/zinc/99/08/00/558990800.db2.gz	AYUFOJVFWWPODK-LSDHHAIUSA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C(=O)N(C)C)C1	ZINC000411933368	558990802	/nfs/dbraw/zinc/99/08/02/558990802.db2.gz	AYUFOJVFWWPODK-LSDHHAIUSA-N	1	1	374.510	2.429	20	30		FEEDMO
COCC(COC)[NH+]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1	ZINC000413470266	559110240	/nfs/dbraw/zinc/11/02/40/559110240.db2.gz	CKPDCNUIMVMUBO-UHFFFAOYSA-N	1	1	372.513	2.351	20	30		FEEDMO
C=C(C)COc1cc(CN2CC[N@@H+](C)C[C@H](C(=O)OC)C2)ccc1OC	ZINC000414489214	559168014	/nfs/dbraw/zinc/16/80/14/559168014.db2.gz	MNYXFUUZSPXOHZ-KRWDZBQOSA-N	1	1	362.470	2.187	20	30		FEEDMO
CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)[C@H]1n1cccn1	ZINC000419299598	559435931	/nfs/dbraw/zinc/43/59/31/559435931.db2.gz	YVCYNOLXUKSASM-XWTMOSNGSA-N	1	1	367.453	2.068	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(Br)cc1C#N	ZINC000419347708	559438817	/nfs/dbraw/zinc/43/88/17/559438817.db2.gz	XGSJUWFTDKKELB-STQMWFEESA-N	1	1	352.276	2.208	20	30		FEEDMO
C=CCC[C@@H]1NC(=O)N([C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)C1=O	ZINC000419948645	559465969	/nfs/dbraw/zinc/46/59/69/559465969.db2.gz	KKTZZBALKYZDKU-QAPCUYQASA-N	1	1	373.453	2.165	20	30		FEEDMO
C=CCC[C@H]1NC(=O)N([C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)C1=O	ZINC000419948638	559466028	/nfs/dbraw/zinc/46/60/28/559466028.db2.gz	KKTZZBALKYZDKU-CRAIPNDOSA-N	1	1	373.453	2.165	20	30		FEEDMO
C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000421021536	559520335	/nfs/dbraw/zinc/52/03/35/559520335.db2.gz	OKELNXRGVBUYDF-YJBOKZPZSA-N	1	1	371.481	2.474	20	30		FEEDMO
C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000421021536	559520336	/nfs/dbraw/zinc/52/03/36/559520336.db2.gz	OKELNXRGVBUYDF-YJBOKZPZSA-N	1	1	371.481	2.474	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000421710878	559550387	/nfs/dbraw/zinc/55/03/87/559550387.db2.gz	MTSPDYXYEPPZRP-GOEBONIOSA-N	1	1	374.872	2.117	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422483932	559591110	/nfs/dbraw/zinc/59/11/10/559591110.db2.gz	YKAANAYRCRZGIA-IRXDYDNUSA-N	1	1	370.497	2.164	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422483932	559591111	/nfs/dbraw/zinc/59/11/11/559591111.db2.gz	YKAANAYRCRZGIA-IRXDYDNUSA-N	1	1	370.497	2.164	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)CCCn1cc[nH+]c1C	ZINC000422524311	559592766	/nfs/dbraw/zinc/59/27/66/559592766.db2.gz	FNWVVECRQWOJBU-LJQANCHMSA-N	1	1	368.481	2.344	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H]1CC[N@H+](CCC)C1	ZINC000422548031	559594329	/nfs/dbraw/zinc/59/43/29/559594329.db2.gz	YIGZAQVEZPRFMO-RTBURBONSA-N	1	1	357.498	2.138	20	30		FEEDMO
N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1	ZINC000424164994	559656636	/nfs/dbraw/zinc/65/66/36/559656636.db2.gz	CXMPTWRHAHSTEG-JKSUJKDBSA-N	1	1	352.442	2.199	20	30		FEEDMO
C=CCCn1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)nn1	ZINC000424876139	559679070	/nfs/dbraw/zinc/67/90/70/559679070.db2.gz	QCWMDIBSCRYKPP-QGZVFWFLSA-N	1	1	353.470	2.448	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2	ZINC000425389023	559699566	/nfs/dbraw/zinc/69/95/66/559699566.db2.gz	TUJVVXUJLVGEBF-KKSFZXQISA-N	1	1	368.481	2.022	20	30		FEEDMO
C[C@H](CNC(=O)N(C)[C@H](C)c1cccc(C#N)c1)CN1CC[NH+](C)CC1	ZINC000425468431	559703867	/nfs/dbraw/zinc/70/38/67/559703867.db2.gz	DOXNWYOZOAJBSE-IAGOWNOFSA-N	1	1	357.502	2.144	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000425886176	559723988	/nfs/dbraw/zinc/72/39/88/559723988.db2.gz	PWMLZQNOXNQJJV-FUHWJXTLSA-N	1	1	370.497	2.314	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(NC(=O)c2sc3ccc(C#N)cc3c2C)CC1	ZINC000428172913	559770900	/nfs/dbraw/zinc/77/09/00/559770900.db2.gz	AVMSNUVUKLERJQ-UHFFFAOYSA-N	1	1	370.478	2.022	20	30		FEEDMO
C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428811089	559783833	/nfs/dbraw/zinc/78/38/33/559783833.db2.gz	ZBXOVSVWQOOESA-VQIMIIECSA-N	1	1	364.449	2.154	20	30		FEEDMO
C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428811089	559783834	/nfs/dbraw/zinc/78/38/34/559783834.db2.gz	ZBXOVSVWQOOESA-VQIMIIECSA-N	1	1	364.449	2.154	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@H]1C(C)C	ZINC000429396750	559797843	/nfs/dbraw/zinc/79/78/43/559797843.db2.gz	GSQGZSIRACBZQT-KSZLIROESA-N	1	1	355.438	2.183	20	30		FEEDMO
COC[C@](C)(C#N)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2	ZINC000435915365	559932283	/nfs/dbraw/zinc/93/22/83/559932283.db2.gz	FVLWYEZERRQIMU-NRFANRHFSA-N	1	1	368.481	2.453	20	30		FEEDMO
CN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@H]1CC[N@H+](C2CC2)C1	ZINC000439595461	559997673	/nfs/dbraw/zinc/99/76/73/559997673.db2.gz	LZHUWJXECKBHTK-HNNXBMFYSA-N	1	1	372.494	2.326	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1	ZINC000439857929	560000925	/nfs/dbraw/zinc/00/09/25/560000925.db2.gz	QYTJJVLXWQOEKN-GFCCVEGCSA-N	1	1	350.850	2.348	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440483245	560011830	/nfs/dbraw/zinc/01/18/30/560011830.db2.gz	CTILQRCDUROADS-FQEVSTJZSA-N	1	1	359.470	2.463	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@H+]1CC[C@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440483245	560011831	/nfs/dbraw/zinc/01/18/31/560011831.db2.gz	CTILQRCDUROADS-FQEVSTJZSA-N	1	1	359.470	2.463	20	30		FEEDMO
CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000441519835	560034821	/nfs/dbraw/zinc/03/48/21/560034821.db2.gz	BNNDURHWWYEAOB-SFHVURJKSA-N	1	1	357.414	2.182	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C[C@H]1C	ZINC000443353913	560081615	/nfs/dbraw/zinc/08/16/15/560081615.db2.gz	DMQWHWFMEGWQQW-DOMZBBRYSA-N	1	1	362.861	2.481	20	30		FEEDMO
N#CC1(NC(=O)c2noc3c2COCC3)CC[NH+](Cc2ccccc2)CC1	ZINC000527607831	562297612	/nfs/dbraw/zinc/29/76/12/562297612.db2.gz	RQYDQWOACFLVEQ-UHFFFAOYSA-N	1	1	366.421	2.035	20	30		FEEDMO
C=CC[C@@H]1N(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCCC1(C)C	ZINC000445095745	560128640	/nfs/dbraw/zinc/12/86/40/560128640.db2.gz	WDBORPMVCZNGGJ-KRWDZBQOSA-N	1	1	364.534	2.315	20	30		FEEDMO
CC(C)c1ccc2ncc(C#N)c(NC[C@@](C)(O)C[NH+]3CCOCC3)c2c1	ZINC000447685690	560167031	/nfs/dbraw/zinc/16/70/31/560167031.db2.gz	AXJUHWGERVWDFU-OAQYLSRUSA-N	1	1	368.481	2.147	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(C#N)n3C)cc2)CC1	ZINC000448695473	560194898	/nfs/dbraw/zinc/19/48/98/560194898.db2.gz	XHXUALBYYITEMB-UHFFFAOYSA-N	1	1	351.454	2.287	20	30		FEEDMO
C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[N@@H+](C)C1CC1	ZINC000448891644	560205244	/nfs/dbraw/zinc/20/52/44/560205244.db2.gz	UVOSAMLYXGPAJG-GXTWGEPZSA-N	1	1	374.872	2.163	20	30		FEEDMO
CC[N@@H+](CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1	ZINC000448900489	560205572	/nfs/dbraw/zinc/20/55/72/560205572.db2.gz	ZRBNNPLSQIAPTG-AWEZNQCLSA-N	1	1	374.872	2.165	20	30		FEEDMO
C=CC[N@@H+](Cc1c(C)nnn1CC)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000449024342	560213110	/nfs/dbraw/zinc/21/31/10/560213110.db2.gz	AKXDFNBJZXKJOQ-OAHLLOKOSA-N	1	1	352.446	2.331	20	30		FEEDMO
C=CC[N@H+](Cc1c(C)nnn1CC)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000449024342	560213111	/nfs/dbraw/zinc/21/31/11/560213111.db2.gz	AKXDFNBJZXKJOQ-OAHLLOKOSA-N	1	1	352.446	2.331	20	30		FEEDMO
Cc1cc(C[N@H+](C)CCN(C)c2ccc(S(N)(=O)=O)cc2)ccc1C#N	ZINC000449430370	560230194	/nfs/dbraw/zinc/23/01/94/560230194.db2.gz	ZAGITZYCSBLLFA-UHFFFAOYSA-N	1	1	372.494	2.082	20	30		FEEDMO
COC[C@]1(CO)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000449704570	560237586	/nfs/dbraw/zinc/23/75/86/560237586.db2.gz	VZNASLGKBJMTSG-HXUWFJFHSA-N	1	1	354.454	2.295	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)COc2cccc(Br)c2C#N)C1	ZINC000449823100	560241420	/nfs/dbraw/zinc/24/14/20/560241420.db2.gz	YZGVKSVRQHJZHX-LBPRGKRZSA-N	1	1	366.259	2.300	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)C1	ZINC000449819091	560241115	/nfs/dbraw/zinc/24/11/15/560241115.db2.gz	HIDWSVNFIPGZIW-ZDUSSCGKSA-N	1	1	366.259	2.300	20	30		FEEDMO
N#Cc1ccc(OCC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1Br	ZINC000449831581	560241724	/nfs/dbraw/zinc/24/17/24/560241724.db2.gz	XAWWJFGXXQUZRJ-ZDUSSCGKSA-N	1	1	364.243	2.006	20	30		FEEDMO
N#Cc1cc(F)ccc1CS(=O)(=O)N1CC[NH+](C2CCCC2)CC1	ZINC000451026052	560283178	/nfs/dbraw/zinc/28/31/78/560283178.db2.gz	DJPUFJBMXDMGKR-UHFFFAOYSA-N	1	1	351.447	2.087	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451322420	560300076	/nfs/dbraw/zinc/30/00/76/560300076.db2.gz	UDKKYNCMQRNGNM-ABAIWWIYSA-N	1	1	353.875	2.167	20	30		FEEDMO
C[C@H]1[C@@H](O)CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000451460357	560308354	/nfs/dbraw/zinc/30/83/54/560308354.db2.gz	RFMSGDJKMXDKRU-BBRMVZONSA-N	1	1	354.372	2.018	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccc(C#N)c(F)c3)C2)CC1	ZINC000451524153	560311913	/nfs/dbraw/zinc/31/19/13/560311913.db2.gz	BQNBTJKJHGWQAE-IBGZPJMESA-N	1	1	372.488	2.464	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453598874	560390408	/nfs/dbraw/zinc/39/04/08/560390408.db2.gz	MNWNMAZBWRKPCU-MRXNPFEDSA-N	1	1	356.470	2.319	20	30		FEEDMO
Cc1nc(NC(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N	ZINC000453608205	560391016	/nfs/dbraw/zinc/39/10/16/560391016.db2.gz	OTDGDCMHFPCLQO-GASCZTMLSA-N	1	1	371.485	2.075	20	30		FEEDMO
C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453643891	560392975	/nfs/dbraw/zinc/39/29/75/560392975.db2.gz	LOHAGLHOCXZYRG-ZFWWWQNUSA-N	1	1	374.872	2.430	20	30		FEEDMO
C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453643891	560392976	/nfs/dbraw/zinc/39/29/76/560392976.db2.gz	LOHAGLHOCXZYRG-ZFWWWQNUSA-N	1	1	374.872	2.430	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453647263	560393230	/nfs/dbraw/zinc/39/32/30/560393230.db2.gz	RLJKSSDVJLIUTN-MRXNPFEDSA-N	1	1	372.469	2.275	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000453712745	560398888	/nfs/dbraw/zinc/39/88/88/560398888.db2.gz	HQPBWTACEXNGOZ-RHSMWYFYSA-N	1	1	374.872	2.287	20	30		FEEDMO
CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453712015	560398907	/nfs/dbraw/zinc/39/89/07/560398907.db2.gz	FBRMTLQVHFZJTG-KRWDZBQOSA-N	1	1	365.437	2.314	20	30		FEEDMO
C[N@@H+](CCCCNC(=O)N1CCN(c2ccccc2C#N)CC1)C1CC1	ZINC000455609123	560489128	/nfs/dbraw/zinc/48/91/28/560489128.db2.gz	KLRGRVMSQPUXRT-UHFFFAOYSA-N	1	1	355.486	2.264	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000455775515	560494413	/nfs/dbraw/zinc/49/44/13/560494413.db2.gz	DRBXZHDAUPJPFJ-ZDUSSCGKSA-N	1	1	364.881	2.002	20	30		FEEDMO
C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	ZINC000457111046	560549988	/nfs/dbraw/zinc/54/99/88/560549988.db2.gz	DWNJQAGXQWHRQG-MRXNPFEDSA-N	1	1	365.433	2.489	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1	ZINC000457111046	560549989	/nfs/dbraw/zinc/54/99/89/560549989.db2.gz	DWNJQAGXQWHRQG-MRXNPFEDSA-N	1	1	365.433	2.489	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	ZINC000459218320	560674737	/nfs/dbraw/zinc/67/47/37/560674737.db2.gz	ZHESKAADSIPIDI-UHFFFAOYSA-N	1	1	373.497	2.266	20	30		FEEDMO
N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)NCCOc1cccc(C(F)(F)F)c1	ZINC000459475403	560688758	/nfs/dbraw/zinc/68/87/58/560688758.db2.gz	ZWRKGTZOKMHIBB-IUODEOHRSA-N	1	1	355.360	2.482	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1	ZINC000459674477	560701345	/nfs/dbraw/zinc/70/13/45/560701345.db2.gz	ZEPUIKVHBQYCDO-AWEZNQCLSA-N	1	1	361.408	2.430	20	30		FEEDMO
Cc1nsc(N2CCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)c1C#N	ZINC000461200462	560763768	/nfs/dbraw/zinc/76/37/68/560763768.db2.gz	LWKBCDPLERQETI-KRWDZBQOSA-N	1	1	369.494	2.275	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)CC2)cc1	ZINC000461939261	560788917	/nfs/dbraw/zinc/78/89/17/560788917.db2.gz	WMMKGFGJIXWVMY-RTBURBONSA-N	1	1	351.454	2.468	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@@H]3C#N)C2)cc(OC)c1	ZINC000461945059	560789107	/nfs/dbraw/zinc/78/91/07/560789107.db2.gz	BUVTUSNVXXORTA-GJYPPUQNSA-N	1	1	372.469	2.270	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@H]3CCC[C@@H]3C#N)C2)cc(OC)c1	ZINC000461945059	560789108	/nfs/dbraw/zinc/78/91/08/560789108.db2.gz	BUVTUSNVXXORTA-GJYPPUQNSA-N	1	1	372.469	2.270	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1	ZINC000461955439	560789590	/nfs/dbraw/zinc/78/95/90/560789590.db2.gz	FQPJQODPDQVFNB-QGZVFWFLSA-N	1	1	356.470	2.451	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@@H](c2ccccc2)C1	ZINC000461961463	560789915	/nfs/dbraw/zinc/78/99/15/560789915.db2.gz	VASUFVRJIHYORT-VAMGGRTRSA-N	1	1	369.513	2.357	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@@H](c2ccccc2)C1	ZINC000461961463	560789916	/nfs/dbraw/zinc/78/99/16/560789916.db2.gz	VASUFVRJIHYORT-VAMGGRTRSA-N	1	1	369.513	2.357	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@@H](c2ccccc2)C1	ZINC000461961463	560789917	/nfs/dbraw/zinc/78/99/17/560789917.db2.gz	VASUFVRJIHYORT-VAMGGRTRSA-N	1	1	369.513	2.357	20	30		FEEDMO
C[C@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1cccc(C#N)c1	ZINC000462047385	560794037	/nfs/dbraw/zinc/79/40/37/560794037.db2.gz	IDTQLAWLHSSTDB-INIZCTEOSA-N	1	1	351.454	2.130	20	30		FEEDMO
C[C@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1cccc(C#N)c1	ZINC000462047385	560794038	/nfs/dbraw/zinc/79/40/38/560794038.db2.gz	IDTQLAWLHSSTDB-INIZCTEOSA-N	1	1	351.454	2.130	20	30		FEEDMO
C[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1cccc(C#N)c1	ZINC000462047386	560794082	/nfs/dbraw/zinc/79/40/82/560794082.db2.gz	IDTQLAWLHSSTDB-MRXNPFEDSA-N	1	1	351.454	2.130	20	30		FEEDMO
C[C@@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1cccc(C#N)c1	ZINC000462047386	560794083	/nfs/dbraw/zinc/79/40/83/560794083.db2.gz	IDTQLAWLHSSTDB-MRXNPFEDSA-N	1	1	351.454	2.130	20	30		FEEDMO
CC[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCOC1	ZINC000463440900	560814617	/nfs/dbraw/zinc/81/46/17/560814617.db2.gz	GYNPXQIYVRJKBP-MRXNPFEDSA-N	1	1	354.372	2.284	20	30		FEEDMO
N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1	ZINC000463449018	560815203	/nfs/dbraw/zinc/81/52/03/560815203.db2.gz	JKMMRWHLECDPRI-IRLDBZIGSA-N	1	1	363.461	2.402	20	30		FEEDMO
N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1	ZINC000463449018	560815204	/nfs/dbraw/zinc/81/52/04/560815204.db2.gz	JKMMRWHLECDPRI-IRLDBZIGSA-N	1	1	363.461	2.402	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000464572254	560845768	/nfs/dbraw/zinc/84/57/68/560845768.db2.gz	QXNMUJYGDANBAX-QGZVFWFLSA-N	1	1	357.454	2.228	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000464572254	560845769	/nfs/dbraw/zinc/84/57/69/560845769.db2.gz	QXNMUJYGDANBAX-QGZVFWFLSA-N	1	1	357.454	2.228	20	30		FEEDMO
CCOCC[C@H](O)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471019821	560996590	/nfs/dbraw/zinc/99/65/90/560996590.db2.gz	RLHJWLHAACLILQ-ZWKOTPCHSA-N	1	1	351.878	2.310	20	30		FEEDMO
CC[NH+]1CCN(C[C@@H](C)CNC(=O)C[C@H](CC#N)c2ccccc2)CC1	ZINC000476041405	561110125	/nfs/dbraw/zinc/11/01/25/561110125.db2.gz	MXFXHBRXLAEYIT-ICSRJNTNSA-N	1	1	356.514	2.464	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@H](C)C1	ZINC000476548215	561122279	/nfs/dbraw/zinc/12/22/79/561122279.db2.gz	RQBKWXLHXRFSEY-AEFFLSMTSA-N	1	1	357.454	2.170	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@H](C)C1	ZINC000476548215	561122280	/nfs/dbraw/zinc/12/22/80/561122280.db2.gz	RQBKWXLHXRFSEY-AEFFLSMTSA-N	1	1	357.454	2.170	20	30		FEEDMO
COc1cccc([C@@H]2[C@H](NC(=O)c3cnn(C)c3C#N)CC[N@H+]2C2CC2)c1	ZINC000476603769	561124088	/nfs/dbraw/zinc/12/40/88/561124088.db2.gz	WIZBGUFFHFPNLR-IEBWSBKVSA-N	1	1	365.437	2.008	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528358223	562324747	/nfs/dbraw/zinc/32/47/47/562324747.db2.gz	KJAORAGAKRYMLY-BHIYHBOVSA-N	1	1	373.497	2.315	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528366806	562325220	/nfs/dbraw/zinc/32/52/20/562325220.db2.gz	PSKBGDXCWCJYBE-UHOSZYNNSA-N	1	1	373.497	2.315	20	30		FEEDMO
C[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@H]1CCN(c2ccccc2)C1=O	ZINC000528414337	562327725	/nfs/dbraw/zinc/32/77/25/562327725.db2.gz	ADRZIEJLUYYKNQ-MOPGFXCFSA-N	1	1	365.433	2.035	20	30		FEEDMO
C[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@H]1CCN(c2ccccc2)C1=O	ZINC000528414337	562327726	/nfs/dbraw/zinc/32/77/26/562327726.db2.gz	ADRZIEJLUYYKNQ-MOPGFXCFSA-N	1	1	365.433	2.035	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1	ZINC000528420966	562328422	/nfs/dbraw/zinc/32/84/22/562328422.db2.gz	MWGNADUIHSNMOM-SJORKVTESA-N	1	1	352.434	2.035	20	30		FEEDMO
Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528431596	562329036	/nfs/dbraw/zinc/32/90/36/562329036.db2.gz	WXPJEAQQKXUROS-GOSISDBHSA-N	1	1	362.433	2.463	20	30		FEEDMO
C[N@H+]1CCN(C[C@H](O)COc2ccccc2C#N)C[C@H]1Cc1ccccc1	ZINC000528495053	562332254	/nfs/dbraw/zinc/33/22/54/562332254.db2.gz	CGDBNWSTSCDEHQ-RTWAWAEBSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C[C@H]1Cc1ccccc1	ZINC000528495053	562332255	/nfs/dbraw/zinc/33/22/55/562332255.db2.gz	CGDBNWSTSCDEHQ-RTWAWAEBSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@H]1Cc1ccccc1	ZINC000528495053	562332256	/nfs/dbraw/zinc/33/22/56/562332256.db2.gz	CGDBNWSTSCDEHQ-RTWAWAEBSA-N	1	1	365.477	2.157	20	30		FEEDMO
CC(C)[C@@]1(CO)CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528511154	562333185	/nfs/dbraw/zinc/33/31/85/562333185.db2.gz	DMNJHAHGRUXDMM-NRFANRHFSA-N	1	1	354.450	2.017	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3	ZINC000528516692	562333625	/nfs/dbraw/zinc/33/36/25/562333625.db2.gz	FPSJPTXILVZPGI-NEWSRXKRSA-N	1	1	372.465	2.306	20	30		FEEDMO
COCc1ccc(NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)cc1C#N	ZINC000529818067	562386591	/nfs/dbraw/zinc/38/65/91/562386591.db2.gz	UNKUCCJAKDWFJG-UHFFFAOYSA-N	1	1	364.409	2.305	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)c2ncc(C#N)cc2C)cc1	ZINC000529833538	562387584	/nfs/dbraw/zinc/38/75/84/562387584.db2.gz	HJYDLBRYOAXZIF-KRWDZBQOSA-N	1	1	350.422	2.275	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)c2ncc(C#N)cc2C)cc1	ZINC000529833538	562387585	/nfs/dbraw/zinc/38/75/85/562387585.db2.gz	HJYDLBRYOAXZIF-KRWDZBQOSA-N	1	1	350.422	2.275	20	30		FEEDMO
Cc1[nH+]cc2n1C[C@@H](C(=O)NC1(c3ccc(C#N)cc3)CCOCC1)CC2	ZINC000530059599	562396355	/nfs/dbraw/zinc/39/63/55/562396355.db2.gz	DZVZDFZJSWQOFT-KRWDZBQOSA-N	1	1	364.449	2.448	20	30		FEEDMO
CN1CC[N@@H+](C)Cc2ccc(NC[C@@H](O)COc3ccccc3C#N)cc21	ZINC000530237716	562403448	/nfs/dbraw/zinc/40/34/48/562403448.db2.gz	JFNYTBIJWILIBI-LJQANCHMSA-N	1	1	366.465	2.292	20	30		FEEDMO
COc1ccc(OC2CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)cc1	ZINC000532097868	562466996	/nfs/dbraw/zinc/46/69/96/562466996.db2.gz	WASINFGJMGERSX-UHFFFAOYSA-N	1	1	370.453	2.194	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CCC[C@H]2COCC[C@@H]21	ZINC000532646767	562484316	/nfs/dbraw/zinc/48/43/16/562484316.db2.gz	ROIDMQWQGANGIB-YJBOKZPZSA-N	1	1	365.437	2.183	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CCC[C@H]2COCC[C@@H]21	ZINC000532646767	562484317	/nfs/dbraw/zinc/48/43/17/562484317.db2.gz	ROIDMQWQGANGIB-YJBOKZPZSA-N	1	1	365.437	2.183	20	30		FEEDMO
N#Cc1ccccc1OCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000532706676	562486209	/nfs/dbraw/zinc/48/62/09/562486209.db2.gz	ZWTPRLJBVPGGIP-HNNXBMFYSA-N	1	1	353.382	2.427	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCN1CCCC1=O	ZINC000534275423	562529439	/nfs/dbraw/zinc/52/94/39/562529439.db2.gz	IAFFKZDMVYBUOF-HNNXBMFYSA-N	1	1	360.433	2.015	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCN1CCCC1=O	ZINC000534275423	562529440	/nfs/dbraw/zinc/52/94/40/562529440.db2.gz	IAFFKZDMVYBUOF-HNNXBMFYSA-N	1	1	360.433	2.015	20	30		FEEDMO
N#Cc1cccc(N2CC[NH+](C[C@@H](O)COc3ccccc3Cl)CC2)n1	ZINC000546211568	562635216	/nfs/dbraw/zinc/63/52/16/562635216.db2.gz	RQPDYEJZBHKQGY-MRXNPFEDSA-N	1	1	372.856	2.169	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(OC)c1	ZINC000602857619	568002770	/nfs/dbraw/zinc/00/27/70/568002770.db2.gz	UJEKOEDNZPUTHO-SCTDSRPQSA-N	1	1	373.497	2.082	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1	ZINC000602885233	568005486	/nfs/dbraw/zinc/00/54/86/568005486.db2.gz	DAJDDVVFSVXKMJ-OXQOHEQNSA-N	1	1	351.454	2.474	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1	ZINC000602885233	568005487	/nfs/dbraw/zinc/00/54/87/568005487.db2.gz	DAJDDVVFSVXKMJ-OXQOHEQNSA-N	1	1	351.454	2.474	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)C1CC1	ZINC000602926729	568018744	/nfs/dbraw/zinc/01/87/44/568018744.db2.gz	WHDIEVUKMDJEIE-RDJZCZTQSA-N	1	1	353.825	2.301	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1	ZINC000603173489	568071233	/nfs/dbraw/zinc/07/12/33/568071233.db2.gz	WZJNJXNAIRZEEO-AZUAARDMSA-N	1	1	366.469	2.110	20	30		FEEDMO
Cc1nc(C#N)n(CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1C	ZINC000603351221	568092903	/nfs/dbraw/zinc/09/29/03/568092903.db2.gz	FGEIWMNRWNKIRC-KRWDZBQOSA-N	1	1	351.454	2.277	20	30		FEEDMO
Cc1noc([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)n1	ZINC000604315986	568245969	/nfs/dbraw/zinc/24/59/69/568245969.db2.gz	KYXJCJJRLSZXOG-DLBZAZTESA-N	1	1	356.426	2.063	20	30		FEEDMO
C[C@H](O)c1ncc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1	ZINC000809636486	674502115	/nfs/dbraw/zinc/50/21/15/674502115.db2.gz	BJMYXKMFYWSJMI-BLLLJJGKSA-N	1	1	356.451	2.353	20	30		FEEDMO
COCC[N@H+](Cc1cc(C#N)cs1)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000826159144	608567267	/nfs/dbraw/zinc/56/72/67/608567267.db2.gz	SJRYGIXLFACTEL-UHFFFAOYSA-N	1	1	354.439	2.448	20	30		FEEDMO
COCC[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000826159144	608567268	/nfs/dbraw/zinc/56/72/68/608567268.db2.gz	SJRYGIXLFACTEL-UHFFFAOYSA-N	1	1	354.439	2.448	20	30		FEEDMO
Cc1nn(-c2ccccc2)c(C[NH+]2CCC(C)(C#N)CC2)c1-c1nn[nH]n1	ZINC000826332252	609143482	/nfs/dbraw/zinc/14/34/82/609143482.db2.gz	ONBSFEWNNTYWFM-UHFFFAOYSA-N	1	1	362.441	2.487	20	30		FEEDMO
C#C[C@@H](NC(=O)NC1CC[NH+](CCN(C)C)CC1)c1ccc(Cl)cc1	ZINC000811999002	674645848	/nfs/dbraw/zinc/64/58/48/674645848.db2.gz	GPYXHRPGMKRGSH-GOSISDBHSA-N	1	1	362.905	2.340	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1	ZINC000562543549	674767706	/nfs/dbraw/zinc/76/77/06/674767706.db2.gz	ZKDYLJLLZFZZDL-LXZKKBNFSA-N	1	1	363.845	2.012	20	30		FEEDMO
N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1	ZINC000562543549	674767709	/nfs/dbraw/zinc/76/77/09/674767709.db2.gz	ZKDYLJLLZFZZDL-LXZKKBNFSA-N	1	1	363.845	2.012	20	30		FEEDMO
C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(C(F)(F)F)c(C#N)n2)C1	ZINC000562741073	674800163	/nfs/dbraw/zinc/80/01/63/674800163.db2.gz	PEIBEDUMQLADAK-SECBINFHSA-N	1	1	369.376	2.061	20	30		FEEDMO
COC(=O)[C@H]([NH2+]CCCC1(C#N)CCOCC1)[C@H]1CCC[C@@H](OC)C1	ZINC000563220714	674859667	/nfs/dbraw/zinc/85/96/67/674859667.db2.gz	BUTFZVSCQVXTBM-GVDBMIGSSA-N	1	1	352.475	2.423	20	30		FEEDMO
C[N@@H+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC12CCCCC2	ZINC000565159834	675098864	/nfs/dbraw/zinc/09/88/64/675098864.db2.gz	AVJIGXINTKKXLO-UHFFFAOYSA-N	1	1	361.511	2.282	20	30		FEEDMO
C[N@H+]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC12CCCCC2	ZINC000565159834	675098866	/nfs/dbraw/zinc/09/88/66/675098866.db2.gz	AVJIGXINTKKXLO-UHFFFAOYSA-N	1	1	361.511	2.282	20	30		FEEDMO
C=CCc1cc(OCC)cc(C[N@@H+]2CC[C@H](S(=O)(=O)NCC)C2)c1O	ZINC000092304336	670738157	/nfs/dbraw/zinc/73/81/57/670738157.db2.gz	SRZMZOQYRUZPHL-KRWDZBQOSA-N	1	1	368.499	2.033	20	30		FEEDMO
C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1	ZINC000571228383	670838157	/nfs/dbraw/zinc/83/81/57/670838157.db2.gz	FMMXCEHTTIMARE-HNNXBMFYSA-N	1	1	359.499	2.412	20	30		FEEDMO
C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1	ZINC000571228383	670838164	/nfs/dbraw/zinc/83/81/64/670838164.db2.gz	FMMXCEHTTIMARE-HNNXBMFYSA-N	1	1	359.499	2.412	20	30		FEEDMO
C=CC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000117078058	670911742	/nfs/dbraw/zinc/91/17/42/670911742.db2.gz	ABTOHOSTPLAKMC-CYBMUJFWSA-N	1	1	364.877	2.111	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)Cc2ccc(CC#N)cc2)C1	ZINC000577277774	671584513	/nfs/dbraw/zinc/58/45/13/671584513.db2.gz	YOPJZTCRCDBYAV-LJQANCHMSA-N	1	1	361.511	2.246	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000577335914	671588432	/nfs/dbraw/zinc/58/84/32/671588432.db2.gz	ZGKFAFHAHHCGDM-VQIMIIECSA-N	1	1	365.543	2.382	20	30		FEEDMO
CCCOc1ncccc1C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1	ZINC000579582069	671746289	/nfs/dbraw/zinc/74/62/89/671746289.db2.gz	IPQCZRAUXJYCFO-UHFFFAOYSA-N	1	1	359.451	2.306	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)CC1	ZINC000121015361	671940181	/nfs/dbraw/zinc/94/01/81/671940181.db2.gz	OHPWXLOFWYOTNS-UHFFFAOYSA-N	1	1	362.861	2.215	20	30		FEEDMO
COCC[N@H+]1[C@H](C)CN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1C	ZINC000121198085	671944512	/nfs/dbraw/zinc/94/45/12/671944512.db2.gz	RXORAGLYPHSCMJ-IYBDPMFKSA-N	1	1	361.511	2.359	20	30		FEEDMO
COCC[N@@H+]1[C@H](C)CN(C(=O)CSCc2ccc(C#N)cc2)C[C@@H]1C	ZINC000121198085	671944514	/nfs/dbraw/zinc/94/45/14/671944514.db2.gz	RXORAGLYPHSCMJ-IYBDPMFKSA-N	1	1	361.511	2.359	20	30		FEEDMO
C[N@@H+](CCCNC(=O)OC(C)(C)C)CC(=O)NC1(C#N)CCCCC1	ZINC000125144946	672007291	/nfs/dbraw/zinc/00/72/91/672007291.db2.gz	QEQMTZSIMBZNSZ-UHFFFAOYSA-N	1	1	352.479	2.176	20	30		FEEDMO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCS[C@@H]2COCC[C@@H]21	ZINC000131139154	672084542	/nfs/dbraw/zinc/08/45/42/672084542.db2.gz	MTVJVEMVRVQEKT-DLBZAZTESA-N	1	1	355.467	2.289	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C	ZINC000134652338	672125415	/nfs/dbraw/zinc/12/54/15/672125415.db2.gz	WHYFLFFWRSJFHM-GJZGRUSLSA-N	1	1	352.479	2.126	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C	ZINC000134652338	672125419	/nfs/dbraw/zinc/12/54/19/672125419.db2.gz	WHYFLFFWRSJFHM-GJZGRUSLSA-N	1	1	352.479	2.126	20	30		FEEDMO
C=CCOCC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000591158465	672655277	/nfs/dbraw/zinc/65/52/77/672655277.db2.gz	QSMPPQDVDGRIHD-UHFFFAOYSA-N	1	1	351.878	2.171	20	30		FEEDMO
N#CC[C@]1(O)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000592147163	672764053	/nfs/dbraw/zinc/76/40/53/672764053.db2.gz	ITXTXUNWGAMDGM-SFHVURJKSA-N	1	1	358.467	2.178	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCNC(=O)Cc2ccc(Br)cc2C#N)C1	ZINC000593499471	672930568	/nfs/dbraw/zinc/93/05/68/672930568.db2.gz	SNDWROLZKNOHSU-LBPRGKRZSA-N	1	1	350.260	2.321	20	30		FEEDMO
COCCOCC[NH+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000593516489	672932033	/nfs/dbraw/zinc/93/20/33/672932033.db2.gz	DIYAXHZVEGQGNF-UHFFFAOYSA-N	1	1	357.376	2.362	20	30		FEEDMO
COCCOCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1	ZINC000593518021	672932393	/nfs/dbraw/zinc/93/23/93/672932393.db2.gz	MSUBDZVWEXDUHH-UHFFFAOYSA-N	1	1	357.376	2.362	20	30		FEEDMO
CC[N@@H+](CCCNS(=O)(=O)c1ccc(C#N)nc1)C1CCCCC1	ZINC000593627041	672961968	/nfs/dbraw/zinc/96/19/68/672961968.db2.gz	LQVWFBSVFFQUPX-UHFFFAOYSA-N	1	1	350.488	2.276	20	30		FEEDMO
CCC(CC)[C@H](CNC(=[NH2+])NCc1ccc(OC)c(OC)c1)N(C)C	ZINC000303784554	673017604	/nfs/dbraw/zinc/01/76/04/673017604.db2.gz	PGQFPYFAKCULGR-INIZCTEOSA-N	1	1	350.507	2.475	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)NC[C@H](c2ccc(C)s2)N2CCOCC2)[N@H+](C)C1	ZINC000329022934	673071066	/nfs/dbraw/zinc/07/10/66/673071066.db2.gz	MSXKLENXPRBYOS-HRCADAONSA-N	1	1	367.515	2.105	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)NC[C@H](c2ccc(C)s2)N2CCOCC2)[N@@H+](C)C1	ZINC000329022934	673071071	/nfs/dbraw/zinc/07/10/71/673071071.db2.gz	MSXKLENXPRBYOS-HRCADAONSA-N	1	1	367.515	2.105	20	30		FEEDMO
N#CCCCC[C@@H]([NH3+])C(=O)NCCc1nnc(-c2ccc(Cl)cc2)[nH]1	ZINC000594469634	673078628	/nfs/dbraw/zinc/07/86/28/673078628.db2.gz	JBWAARKYMKEWEM-CQSZACIVSA-N	1	1	360.849	2.195	20	30		FEEDMO
CC[C@@H]1CN(C(=O)CNC(=O)CC2CCCC2)C[C@@H]1[NH+]1CCOCC1	ZINC000329666409	673081398	/nfs/dbraw/zinc/08/13/98/673081398.db2.gz	QFMDQDCHXZMQAF-SJORKVTESA-N	1	1	351.491	2.092	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@@H](c2ccccc2Cl)[NH+](C)C)C1=O	ZINC000348459987	673115419	/nfs/dbraw/zinc/11/54/19/673115419.db2.gz	KJCAQMKILWIQJU-GJZGRUSLSA-N	1	1	351.834	2.066	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1	ZINC000594854578	673165698	/nfs/dbraw/zinc/16/56/98/673165698.db2.gz	RHFYWDFWHLENCQ-OAHLLOKOSA-N	1	1	351.447	2.383	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(C)CC1)NC(=S)Nc1ccc(C#N)c(Cl)c1	ZINC000730157527	673264573	/nfs/dbraw/zinc/26/45/73/673264573.db2.gz	UIPDOIBYWJFGDA-LBPRGKRZSA-N	1	1	351.907	2.134	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccsc3C#N)CC2)C[N@H+]1C1CC1	ZINC000595553437	673265786	/nfs/dbraw/zinc/26/57/86/673265786.db2.gz	HEPKZILDXADQEB-ZIAGYGMSSA-N	1	1	359.499	2.077	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=S)Nc2ccccc2C#N)CC1	ZINC000730467623	673282037	/nfs/dbraw/zinc/28/20/37/673282037.db2.gz	HKCYHSZMBUVAMF-KRWDZBQOSA-N	1	1	357.527	2.357	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)C2(S(=O)(=O)c3ccccc3)CC2)CC1	ZINC000596100414	673358654	/nfs/dbraw/zinc/35/86/54/673358654.db2.gz	LZVSZEPVGOSUAE-UHFFFAOYSA-N	1	1	362.495	2.150	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](SC)[C@H](N(C)C)C1	ZINC000537288898	673385608	/nfs/dbraw/zinc/38/56/08/673385608.db2.gz	DLUHHEXPOFSOBT-ZHALLVOQSA-N	1	1	350.528	2.132	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](SC)[C@H](N(C)C)C1	ZINC000537288898	673385611	/nfs/dbraw/zinc/38/56/11/673385611.db2.gz	DLUHHEXPOFSOBT-ZHALLVOQSA-N	1	1	350.528	2.132	20	30		FEEDMO
N#Cc1csc(C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)c1	ZINC000597178684	673453768	/nfs/dbraw/zinc/45/37/68/673453768.db2.gz	ABPJQMJZCHLMNS-CALCHBBNSA-N	1	1	351.431	2.237	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCSc2ccc3c(c2)OCCO3)CC1	ZINC000737826788	673582959	/nfs/dbraw/zinc/58/29/59/673582959.db2.gz	KXBKLFHXAAEEKE-UHFFFAOYSA-N	1	1	360.479	2.108	20	30		FEEDMO
C[N@H+](C[C@H](c1cccs1)N1CCOCC1)C[C@@H](O)CC(C)(C)C#N	ZINC000598588413	673587137	/nfs/dbraw/zinc/58/71/37/673587137.db2.gz	LKXAPGGHIALHLB-JKSUJKDBSA-N	1	1	351.516	2.354	20	30		FEEDMO
C=C(Cl)CNC(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1	ZINC000739089177	673628065	/nfs/dbraw/zinc/62/80/65/673628065.db2.gz	OPABZAUJVHITAZ-ZIAGYGMSSA-N	1	1	365.861	2.103	20	30		FEEDMO
CCOC(=O)C1([N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)CCCCC1	ZINC000599330473	673660123	/nfs/dbraw/zinc/66/01/23/673660123.db2.gz	ADTJGKUSMRHOOU-MRXNPFEDSA-N	1	1	352.475	2.256	20	30		FEEDMO
CC(C)OC(=O)C[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599360863	673663877	/nfs/dbraw/zinc/66/38/77/673663877.db2.gz	RIWQLXSDZWPLOU-IAGOWNOFSA-N	1	1	352.475	2.111	20	30		FEEDMO
CO[C@@]1(C(F)(F)F)CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1	ZINC000599380858	673666919	/nfs/dbraw/zinc/66/69/19/673666919.db2.gz	ZTKGSGUCCXXTQT-ZFWWWQNUSA-N	1	1	350.381	2.101	20	30		FEEDMO
N#CC[C@@]1(O)CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1	ZINC000599455149	673677208	/nfs/dbraw/zinc/67/72/08/673677208.db2.gz	IDLOTRFOFDTDSB-GOEBONIOSA-N	1	1	364.243	2.053	20	30		FEEDMO
N#CC[C@@]1(O)CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1	ZINC000599455149	673677209	/nfs/dbraw/zinc/67/72/09/673677209.db2.gz	IDLOTRFOFDTDSB-GOEBONIOSA-N	1	1	364.243	2.053	20	30		FEEDMO
C[C@H]1CC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)CC[N@H+]1C	ZINC000741460334	673687524	/nfs/dbraw/zinc/68/75/24/673687524.db2.gz	NPWLKDUGKDRHJH-LBPRGKRZSA-N	1	1	353.492	2.040	20	30		FEEDMO
N#CCNC(=O)C[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1	ZINC000599526058	673688666	/nfs/dbraw/zinc/68/86/66/673688666.db2.gz	CRJOLLWDWXPERO-ZDUSSCGKSA-N	1	1	354.273	2.255	20	30		FEEDMO
N#CCNC(=O)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1	ZINC000599526058	673688670	/nfs/dbraw/zinc/68/86/70/673688670.db2.gz	CRJOLLWDWXPERO-ZDUSSCGKSA-N	1	1	354.273	2.255	20	30		FEEDMO
Cc1sc(NC(=O)C[NH+]2CCC(CCO)(CCO)CC2)c(C#N)c1C	ZINC000602966980	673914728	/nfs/dbraw/zinc/91/47/28/673914728.db2.gz	YIHYXJGJHIHEEX-UHFFFAOYSA-N	1	1	365.499	2.022	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)Nc1cc(C#N)c(Br)cn1	ZINC000603345229	673925572	/nfs/dbraw/zinc/92/55/72/673925572.db2.gz	ZIYHOOITRKHMLW-GFCCVEGCSA-N	1	1	352.280	2.154	20	30		FEEDMO
C[C@@H]1COCC[N@H+]1C1CCN(c2ncc(Br)cc2C#N)CC1	ZINC000603402204	673929816	/nfs/dbraw/zinc/92/98/16/673929816.db2.gz	OTJLQOMLQNBDFE-GFCCVEGCSA-N	1	1	365.275	2.405	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000818589122	675226478	/nfs/dbraw/zinc/22/64/78/675226478.db2.gz	RPKVOOOFCOINBX-UHFFFAOYSA-N	1	1	358.423	2.403	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819031992	675254020	/nfs/dbraw/zinc/25/40/20/675254020.db2.gz	BDKFFFCCJBEHOD-HUUCEWRRSA-N	1	1	352.479	2.174	20	30		FEEDMO
C#CCNC(=O)CC[NH2+]Cc1c(F)c(F)c(Br)c(F)c1F	ZINC000819384147	675287159	/nfs/dbraw/zinc/28/71/59/675287159.db2.gz	UOIUJNWFEKCYGX-UHFFFAOYSA-N	1	1	367.140	2.235	20	30		FEEDMO
CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819545131	675297702	/nfs/dbraw/zinc/29/77/02/675297702.db2.gz	XUSIRBRMGPBCKE-LSDHHAIUSA-N	1	1	352.479	2.126	20	30		FEEDMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819545131	675297703	/nfs/dbraw/zinc/29/77/03/675297703.db2.gz	XUSIRBRMGPBCKE-LSDHHAIUSA-N	1	1	352.479	2.126	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2cc(OC)ccc2OC(F)(F)F)CC1	ZINC000825549838	675658455	/nfs/dbraw/zinc/65/84/55/675658455.db2.gz	VGEFBVGLKWZKDQ-UHFFFAOYSA-N	1	1	356.344	2.375	20	30		FEEDMO
Cc1nc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(Cl)cc1C#N	ZINC000603423177	675799141	/nfs/dbraw/zinc/79/91/41/675799141.db2.gz	MVVUCUBJIOUJPB-INIZCTEOSA-N	1	1	363.893	2.124	20	30		FEEDMO
C#CC[C@H]1CCC[N@H+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)C1	ZINC000829774370	675890118	/nfs/dbraw/zinc/89/01/18/675890118.db2.gz	PKOIDFGFAGPWTE-HNNXBMFYSA-N	1	1	361.873	2.472	20	30		FEEDMO
COCCSCCC[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1	ZINC000618749966	676351687	/nfs/dbraw/zinc/35/16/87/676351687.db2.gz	CCYZZSYLRGMEFF-UHFFFAOYSA-N	1	1	350.488	2.315	20	30		FEEDMO
Cc1ccc(CNS(=O)(=O)c2ccc(C#N)s2)c(N2CCCC2)[nH+]1	ZINC000619548361	676384256	/nfs/dbraw/zinc/38/42/56/676384256.db2.gz	YORBPRCPMYADOY-UHFFFAOYSA-N	1	1	362.480	2.402	20	30		FEEDMO
C[C@@H]1CN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC[N@H+]1CC(C)(C)O	ZINC000619827034	676396520	/nfs/dbraw/zinc/39/65/20/676396520.db2.gz	RQIOYHWCCOOPCE-CYBMUJFWSA-N	1	1	364.877	2.198	20	30		FEEDMO
C=CCn1c(-c2cc(C)cs2)nnc1N1CC[NH+]([C@@H]2CCOC2)CC1	ZINC000624854543	676598779	/nfs/dbraw/zinc/59/87/79/676598779.db2.gz	NXVTXCNYPVFACW-OAHLLOKOSA-N	1	1	359.499	2.412	20	30		FEEDMO
C=C[C@](C)(O)CC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1	ZINC000830253259	677032231	/nfs/dbraw/zinc/03/22/31/677032231.db2.gz	RYBKAEBYFAVBMU-SFHVURJKSA-N	1	1	360.483	2.314	20	30		FEEDMO
CN(C)C(=O)O[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000830568870	677048134	/nfs/dbraw/zinc/04/81/34/677048134.db2.gz	LLVUBQKKBWVAAV-ZDUSSCGKSA-N	1	1	350.444	2.111	20	30		FEEDMO
Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC#Cc2cccc(Cl)c2)cn1	ZINC000639971723	677170370	/nfs/dbraw/zinc/17/03/70/677170370.db2.gz	GUSQBCPMEPOWEC-SFHVURJKSA-N	1	1	356.857	2.319	20	30		FEEDMO
Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC#Cc2cccc(Cl)c2)cn1	ZINC000639971723	677170371	/nfs/dbraw/zinc/17/03/71/677170371.db2.gz	GUSQBCPMEPOWEC-SFHVURJKSA-N	1	1	356.857	2.319	20	30		FEEDMO
C=CCNc1ncc(C(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1	ZINC000649235359	677328050	/nfs/dbraw/zinc/32/80/50/677328050.db2.gz	NHWUSVKKMNWMEC-CVEARBPZSA-N	1	1	356.495	2.816	20	30		FEEDMO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1CN(CC(C)C)CCO1	ZINC000661118443	678437348	/nfs/dbraw/zinc/43/73/48/678437348.db2.gz	DVNIZHUBITUDIP-QRVBRYPASA-N	1	1	351.535	2.184	20	30		FEEDMO
C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCN(C(=O)c2cccs2)CC1	ZINC000662080651	678575102	/nfs/dbraw/zinc/57/51/02/678575102.db2.gz	PIBGYLUNAXQVHD-IYBDPMFKSA-N	1	1	359.495	2.216	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CCC[C@@H](C(=O)NCCCCCC)C2)C1=O	ZINC000839980720	680791383	/nfs/dbraw/zinc/79/13/83/680791383.db2.gz	CKQYYFHRBMHYNC-QGZVFWFLSA-N	1	1	350.507	2.276	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000765942973	680860419	/nfs/dbraw/zinc/86/04/19/680860419.db2.gz	ULRPHHPPWTUGPI-STQMWFEESA-N	1	1	360.401	2.176	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1	ZINC000974445007	679944239	/nfs/dbraw/zinc/94/42/39/679944239.db2.gz	OSCFUJFLGQWAEM-OWCLPIDISA-N	1	1	367.921	2.309	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2snnc2C)C1	ZINC001017211392	680072932	/nfs/dbraw/zinc/07/29/32/680072932.db2.gz	ABUYICATZCSWTN-XHSDSOJGSA-N	1	1	364.515	2.108	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[N@@H+](C)Cc2cnns2)C1	ZINC001017227653	680073763	/nfs/dbraw/zinc/07/37/63/680073763.db2.gz	PSRQPKQNIVUWBR-PVAVHDDUSA-N	1	1	364.515	2.190	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C[N@H+](C)Cc2cnns2)C1	ZINC001017227653	680073769	/nfs/dbraw/zinc/07/37/69/680073769.db2.gz	PSRQPKQNIVUWBR-PVAVHDDUSA-N	1	1	364.515	2.190	20	30		FEEDMO
C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)CCC[C@@H]12	ZINC000991383711	680080106	/nfs/dbraw/zinc/08/01/06/680080106.db2.gz	IYHIUPLWKUXEAU-HGTKMLMNSA-N	1	1	362.392	2.022	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3csc(CC)n3)C[C@H]21	ZINC000978730468	680179823	/nfs/dbraw/zinc/17/98/23/680179823.db2.gz	LIZQGZQZYJEUPN-MTSZKFMLSA-N	1	1	361.511	2.091	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3csc(CC)n3)C[C@H]21	ZINC000978730468	680179825	/nfs/dbraw/zinc/17/98/25/680179825.db2.gz	LIZQGZQZYJEUPN-MTSZKFMLSA-N	1	1	361.511	2.091	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](C[C@H](OC)C2CCC2)CC1	ZINC000981189965	680219571	/nfs/dbraw/zinc/21/95/71/680219571.db2.gz	IONGTOWIGVLIIV-QYZOEREBSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@@H+](CCn2cc(Cl)cn2)CC1	ZINC000981190239	680219579	/nfs/dbraw/zinc/21/95/79/680219579.db2.gz	YELLEZGGUPUETF-SJORKVTESA-N	1	1	366.893	2.052	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](CCn2cc(Cl)cn2)CC1	ZINC000981190239	680219582	/nfs/dbraw/zinc/21/95/82/680219582.db2.gz	YELLEZGGUPUETF-SJORKVTESA-N	1	1	366.893	2.052	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1	ZINC001022721362	680232425	/nfs/dbraw/zinc/23/24/25/680232425.db2.gz	QIHCXXWYAPDBHR-VNQPRFMTSA-N	1	1	367.921	2.166	20	30		FEEDMO
Cc1ccc2c(c1)C(=NNC(=S)NCCC[NH+]1CCOCC1)CCC2	ZINC000753918062	680324512	/nfs/dbraw/zinc/32/45/12/680324512.db2.gz	DKWYDVBMVOWEII-UHFFFAOYSA-N	1	1	360.527	2.222	20	30		FEEDMO
Brc1cc2c(cc1C=NNC1=[NH+][C@@H]3CCCC[C@@H]3N1)OCO2	ZINC000753936418	680325466	/nfs/dbraw/zinc/32/54/66/680325466.db2.gz	SIFCUQDLVLBAHU-TXEJJXNPSA-N	1	1	365.231	2.372	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1	ZINC000997769948	680365812	/nfs/dbraw/zinc/36/58/12/680365812.db2.gz	FVDGUALLWGTKQP-RRQGHBQHSA-N	1	1	350.894	2.493	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2	ZINC000998630469	680386250	/nfs/dbraw/zinc/38/62/50/680386250.db2.gz	LIOCTJUOOLLAJM-WCVJEAGWSA-N	1	1	367.921	2.355	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C[N@H+](C)C[C@@H]2CCCOC2)CC1	ZINC001029998593	680396263	/nfs/dbraw/zinc/39/62/63/680396263.db2.gz	YQXXEFKMAIQYCE-OTWHNJEPSA-N	1	1	350.503	2.175	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCc1ccc(Br)s1	ZINC000836204789	680435098	/nfs/dbraw/zinc/43/50/98/680435098.db2.gz	OWOWFFKQEYVNCX-UHFFFAOYSA-N	1	1	358.305	2.307	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nn(C)cc1Cl	ZINC001034940969	680441175	/nfs/dbraw/zinc/44/11/75/680441175.db2.gz	BJKMGJDGDHVHSJ-CPUCHLNUSA-N	1	1	366.893	2.135	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1	ZINC001035370053	680445093	/nfs/dbraw/zinc/44/50/93/680445093.db2.gz	GCWYLFWXYIXFFJ-KSZLIROESA-N	1	1	350.503	2.221	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCc1nc(-c2ccc(Cl)cc2)no1	ZINC000836305507	680448058	/nfs/dbraw/zinc/44/80/58/680448058.db2.gz	FAZRQAGOQBCULY-UHFFFAOYSA-N	1	1	361.833	2.144	20	30		FEEDMO
C=C(CC)CNC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000836346285	680454947	/nfs/dbraw/zinc/45/49/47/680454947.db2.gz	UHBURAUAYAUKIX-UHFFFAOYSA-N	1	1	354.495	2.195	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCOC)C2	ZINC001040444915	680472338	/nfs/dbraw/zinc/47/23/38/680472338.db2.gz	XUNTXGDSZQHHPB-CMKODMSKSA-N	1	1	350.503	2.319	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758199815	680561337	/nfs/dbraw/zinc/56/13/37/680561337.db2.gz	DGJUGPCXPXFBHH-HOTGVXAUSA-N	1	1	351.491	2.284	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758199815	680561343	/nfs/dbraw/zinc/56/13/43/680561343.db2.gz	DGJUGPCXPXFBHH-HOTGVXAUSA-N	1	1	351.491	2.284	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1Nc1snc(Cl)c1C#N	ZINC001043510687	680584945	/nfs/dbraw/zinc/58/49/45/680584945.db2.gz	DICNMWMVIUIIEX-NTZNESFSSA-N	1	1	367.906	2.411	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1Nc1nc(Cl)c(C#N)s1	ZINC001043512367	680584985	/nfs/dbraw/zinc/58/49/85/680584985.db2.gz	NQGORRKZEQPGAK-GRYCIOLGSA-N	1	1	367.906	2.411	20	30		FEEDMO
C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2Nc2ncc(C#N)cc2Cl)C1	ZINC001045497938	680632004	/nfs/dbraw/zinc/63/20/04/680632004.db2.gz	NVFNWVKOCAWXDS-NUEKZKHPSA-N	1	1	361.877	2.398	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2c(C(C)C)nc3sc(C)nn23)CC1	ZINC000769025356	680968366	/nfs/dbraw/zinc/96/83/66/680968366.db2.gz	MGHOKUKFEHUSTI-UHFFFAOYSA-N	1	1	359.499	2.184	20	30		FEEDMO
C#CCNC(=O)CN1CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1	ZINC000769733071	680993001	/nfs/dbraw/zinc/99/30/01/680993001.db2.gz	NVPGDJXHKUXJPJ-UHFFFAOYSA-N	1	1	353.491	2.282	20	30		FEEDMO
C=C(Br)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]2C1	ZINC001050146118	681042568	/nfs/dbraw/zinc/04/25/68/681042568.db2.gz	NXUKAPSZWUZUJH-GCSSGZNBSA-N	1	1	369.303	2.385	20	30		FEEDMO
C=C(Br)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]2C1	ZINC001050146118	681042571	/nfs/dbraw/zinc/04/25/71/681042571.db2.gz	NXUKAPSZWUZUJH-GCSSGZNBSA-N	1	1	369.303	2.385	20	30		FEEDMO
C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)c1ncc(Br)s1	ZINC000772986858	681121065	/nfs/dbraw/zinc/12/10/65/681121065.db2.gz	ZOCRYIPQEMOQGM-BVKVCPRXSA-N	1	1	371.260	2.083	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(c3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001058573769	681173050	/nfs/dbraw/zinc/17/30/50/681173050.db2.gz	WBHKGHIBWPKQFM-NTZNESFSSA-N	1	1	367.906	2.093	20	30		FEEDMO
Cc1nsc(NC[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1C#N	ZINC001060101125	681195813	/nfs/dbraw/zinc/19/58/13/681195813.db2.gz	RCZMSOYVABBESA-QLFBSQMISA-N	1	1	361.515	2.314	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+]([C@@H](C)COC)C[C@H]2CC1	ZINC000946595127	681244696	/nfs/dbraw/zinc/24/46/96/681244696.db2.gz	JTLCPCZNVXRJNH-QTMHVTGLSA-N	1	1	350.503	2.173	20	30		FEEDMO
CC[N@@H+](CCC(N)=O)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000932480420	681253132	/nfs/dbraw/zinc/25/31/32/681253132.db2.gz	AEEWPPDHEYRERF-UHFFFAOYSA-N	1	1	362.499	2.415	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1nc2ccc(OCC)cc2s1)[C@H]1CCCO1	ZINC000775788613	681335285	/nfs/dbraw/zinc/33/52/85/681335285.db2.gz	ICUSUERULZEWLG-DZGCQCFKSA-N	1	1	359.451	2.404	20	30		FEEDMO
N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1	ZINC000932953598	681335891	/nfs/dbraw/zinc/33/58/91/681335891.db2.gz	YDPNKLYAYYGSLC-MRXNPFEDSA-N	1	1	355.463	2.336	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCCO1	ZINC000775796946	681336273	/nfs/dbraw/zinc/33/62/73/681336273.db2.gz	BCLSZHNDMJZQNV-KBPBESRZSA-N	1	1	371.300	2.239	20	30		FEEDMO
C=C(C)[C@@H](CO)[N@H+]1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1	ZINC000933827642	681472104	/nfs/dbraw/zinc/47/21/04/681472104.db2.gz	BDMFJKUEVHTVIP-KOHRHEQBSA-N	1	1	354.491	2.462	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C	ZINC000777312581	681481423	/nfs/dbraw/zinc/48/14/23/681481423.db2.gz	YUANKYUFQZPXDL-HZPDHXFCSA-N	1	1	350.459	2.417	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1	ZINC000949369490	681635648	/nfs/dbraw/zinc/63/56/48/681635648.db2.gz	YXKWNTIDCFNRMS-BPLDGKMQSA-N	1	1	355.910	2.213	20	30		FEEDMO
C=CC1(CC(=O)N2CC[N@H+](CC)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000935070816	681682356	/nfs/dbraw/zinc/68/23/56/681682356.db2.gz	KVYUWMDXSXTPDH-HNNXBMFYSA-N	1	1	351.491	2.352	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@H+]1CCc2nn(CC)c(=O)cc2C1	ZINC000779160987	681685639	/nfs/dbraw/zinc/68/56/39/681685639.db2.gz	DWVIBORRRXGORS-UHFFFAOYSA-N	1	1	357.841	2.487	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@@H+]1CCc2nn(CC)c(=O)cc2C1	ZINC000779160987	681685640	/nfs/dbraw/zinc/68/56/40/681685640.db2.gz	DWVIBORRRXGORS-UHFFFAOYSA-N	1	1	357.841	2.487	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1csc(C#N)c1)c1cccs1	ZINC000913846840	685486525	/nfs/dbraw/zinc/48/65/25/685486525.db2.gz	IXQWXNMUMCRSHB-CYBMUJFWSA-N	1	1	355.510	2.404	20	30		FEEDMO
N#Cc1ccc(CNC(=O)N2CC[NH+](CCc3cccs3)CC2)nc1	ZINC000780642858	681856167	/nfs/dbraw/zinc/85/61/67/681856167.db2.gz	DDMOVEAJOZKJDG-UHFFFAOYSA-N	1	1	355.467	2.085	20	30		FEEDMO
C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc(Br)cc(C#N)c1	ZINC000780868269	681880474	/nfs/dbraw/zinc/88/04/74/681880474.db2.gz	WAYRYZDNNBMRMT-NSHDSACASA-N	1	1	372.288	2.083	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c(Br)c1	ZINC000782001108	681996584	/nfs/dbraw/zinc/99/65/84/681996584.db2.gz	PPHXHVMQZTYMQJ-UHFFFAOYSA-N	1	1	350.216	2.395	20	30		FEEDMO
CC(C)(C#N)CS(=O)(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12	ZINC000914361185	685505453	/nfs/dbraw/zinc/50/54/53/685505453.db2.gz	INPNVUWDJCBMQZ-FGTMMUONSA-N	1	1	361.511	2.366	20	30		FEEDMO
CC(C)(C#N)CS(=O)(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21	ZINC000914361188	685505461	/nfs/dbraw/zinc/50/54/61/685505461.db2.gz	INPNVUWDJCBMQZ-RCCFBDPRSA-N	1	1	361.511	2.366	20	30		FEEDMO
CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1[nH+]c(C)n2ccccc12	ZINC000914600677	685508729	/nfs/dbraw/zinc/50/87/29/685508729.db2.gz	XZYDJGQJPLTVAY-UHFFFAOYSA-N	1	1	356.455	2.496	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCc2ccns2)CC1(C)C	ZINC000941046833	682097633	/nfs/dbraw/zinc/09/76/33/682097633.db2.gz	NBOSCLJBDKRPFS-IKGGRYGDSA-N	1	1	363.527	2.493	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnc(C)s3)C[C@H]21	ZINC000961994037	682105621	/nfs/dbraw/zinc/10/56/21/682105621.db2.gz	IFQWOAVJEJEBBT-AVEIZBFRSA-N	1	1	361.511	2.369	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)Cc1csc(C#N)c1	ZINC000915632764	685516950	/nfs/dbraw/zinc/51/69/50/685516950.db2.gz	VWPJDKSWZFWTNJ-UHFFFAOYSA-N	1	1	367.496	2.496	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)Cc1csc(C#N)c1)c1ccc(F)cc1	ZINC000915657163	685517145	/nfs/dbraw/zinc/51/71/45/685517145.db2.gz	JULRWQGUSAMQFE-INIZCTEOSA-N	1	1	367.471	2.481	20	30		FEEDMO
C#CC[N@@H+](CC#CC)C[C@H](O)COc1cc(F)cc(Br)c1	ZINC000784342358	682218014	/nfs/dbraw/zinc/21/80/14/682218014.db2.gz	SQARLVWNXDUHKW-HNNXBMFYSA-N	1	1	354.219	2.286	20	30		FEEDMO
C#CC[N@H+](CC#CC)C[C@H](O)COc1cc(F)cc(Br)c1	ZINC000784342358	682218018	/nfs/dbraw/zinc/21/80/18/682218018.db2.gz	SQARLVWNXDUHKW-HNNXBMFYSA-N	1	1	354.219	2.286	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(Cl)s2)C1	ZINC000968719465	682242342	/nfs/dbraw/zinc/24/23/42/682242342.db2.gz	VAVIOWYBWOSHKS-UPJWGTAASA-N	1	1	355.891	2.468	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C	ZINC000852307074	682257410	/nfs/dbraw/zinc/25/74/10/682257410.db2.gz	PVIHWBHZCAZTRM-ZDUSSCGKSA-N	1	1	352.479	2.172	20	30		FEEDMO
C[C@@H](NC(=O)[C@]12C[C@H]1COC2)C1C[NH+](CC#Cc2ccc(Cl)cc2)C1	ZINC000969715051	682274757	/nfs/dbraw/zinc/27/47/57/682274757.db2.gz	WLJWXUNNRFVSSC-LIVBEALHSA-N	1	1	358.869	2.165	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(Cl)n2C)C1	ZINC000970221272	682289370	/nfs/dbraw/zinc/28/93/70/682289370.db2.gz	VAXGSJZFMNNZAP-KEYYUXOJSA-N	1	1	366.893	2.135	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCC[N@H+](CCOC(=O)CC(C)(C)C#N)CC1	ZINC000786512759	682383174	/nfs/dbraw/zinc/38/31/74/682383174.db2.gz	KCNXINZCPZGRNF-UHFFFAOYSA-N	1	1	353.463	2.412	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCC[N@@H+](CCOC(=O)CC(C)(C)C#N)CC1	ZINC000786512759	682383178	/nfs/dbraw/zinc/38/31/78/682383178.db2.gz	KCNXINZCPZGRNF-UHFFFAOYSA-N	1	1	353.463	2.412	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1	ZINC000972417781	682414031	/nfs/dbraw/zinc/41/40/31/682414031.db2.gz	LRLJSMRGWOSIBT-DTZQCDIJSA-N	1	1	367.921	2.165	20	30		FEEDMO
C#CCCCS(=O)(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1	ZINC000791418073	682741765	/nfs/dbraw/zinc/74/17/65/682741765.db2.gz	UPKIPNBUUKKAGG-KRWDZBQOSA-N	1	1	350.484	2.165	20	30		FEEDMO
C=CCn1nnn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1=S	ZINC000795691837	683081383	/nfs/dbraw/zinc/08/13/83/683081383.db2.gz	CGCMDNXCCSQBEY-IXDOHACOSA-N	1	1	357.483	2.457	20	30		FEEDMO
C=CCn1nnn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1=S	ZINC000795691837	683081385	/nfs/dbraw/zinc/08/13/85/683081385.db2.gz	CGCMDNXCCSQBEY-IXDOHACOSA-N	1	1	357.483	2.457	20	30		FEEDMO
CC[C@@](C)(C#N)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000927841909	683321605	/nfs/dbraw/zinc/32/16/05/683321605.db2.gz	IIJBXSKTQUUFHG-SFHVURJKSA-N	1	1	352.479	2.032	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000798956582	683408282	/nfs/dbraw/zinc/40/82/82/683408282.db2.gz	DTBBUXFWLBOCET-HOTGVXAUSA-N	1	1	351.491	2.352	20	30		FEEDMO
CN1CCN(C(C)(C)C[NH2+]Cc2cc(C#N)ccc2Br)CC1	ZINC000921517818	683491273	/nfs/dbraw/zinc/49/12/73/683491273.db2.gz	GZEWWCGNZWEEQM-UHFFFAOYSA-N	1	1	365.319	2.436	20	30		FEEDMO
C[C@H](CNCc1cc(C#N)ccc1Br)C[NH+]1CCN(C)CC1	ZINC000921686471	683543086	/nfs/dbraw/zinc/54/30/86/683543086.db2.gz	SOINUUFTFDNIMY-CQSZACIVSA-N	1	1	365.319	2.294	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@@H+](CC)[C@H](C)CS(=O)(=O)CC)cc1	ZINC000929641867	683622669	/nfs/dbraw/zinc/62/26/69/683622669.db2.gz	WNNVBTDILAZIRN-OAHLLOKOSA-N	1	1	350.484	2.142	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@H+](CC)[C@H](C)CS(=O)(=O)CC)cc1	ZINC000929641867	683622671	/nfs/dbraw/zinc/62/26/71/683622671.db2.gz	WNNVBTDILAZIRN-OAHLLOKOSA-N	1	1	350.484	2.142	20	30		FEEDMO
COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1	ZINC000930451031	683735816	/nfs/dbraw/zinc/73/58/16/683735816.db2.gz	KTRDVGSKXGVCCB-DTWKUNHWSA-N	1	1	373.240	2.362	20	30		FEEDMO
COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C1	ZINC000930451031	683735818	/nfs/dbraw/zinc/73/58/18/683735818.db2.gz	KTRDVGSKXGVCCB-DTWKUNHWSA-N	1	1	373.240	2.362	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1	ZINC000931151087	683842404	/nfs/dbraw/zinc/84/24/04/683842404.db2.gz	FKEZEIRISSBEJG-HNNXBMFYSA-N	1	1	363.255	2.163	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(Cc3ccccc3)c2Cl)C1	ZINC000923559725	684305865	/nfs/dbraw/zinc/30/58/65/684305865.db2.gz	JVOAYISJKSKNGC-INIZCTEOSA-N	1	1	356.857	2.412	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(Cc3ccccc3)c2Cl)C1	ZINC000923559725	684305870	/nfs/dbraw/zinc/30/58/70/684305870.db2.gz	JVOAYISJKSKNGC-INIZCTEOSA-N	1	1	356.857	2.412	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2Br)C1	ZINC000923579238	684307959	/nfs/dbraw/zinc/30/79/59/684307959.db2.gz	OUYDCNAHNDHUBT-LLVKDONJSA-N	1	1	353.264	2.123	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2Br)C1	ZINC000923579238	684307962	/nfs/dbraw/zinc/30/79/62/684307962.db2.gz	OUYDCNAHNDHUBT-LLVKDONJSA-N	1	1	353.264	2.123	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC[C@@H]21	ZINC000867812238	684397098	/nfs/dbraw/zinc/39/70/98/684397098.db2.gz	ISFLBMHBUUHVLN-JSGCOSHPSA-N	1	1	373.400	2.292	20	30		FEEDMO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1nnc([C@@H]2CCCO2)s1	ZINC000868050434	684444183	/nfs/dbraw/zinc/44/41/83/684444183.db2.gz	MXPXEFAGNPNKRL-KBPBESRZSA-N	1	1	355.423	2.087	20	30		FEEDMO
N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1nnc([C@H]2CCCO2)s1	ZINC000868050435	684444454	/nfs/dbraw/zinc/44/44/54/684444454.db2.gz	MXPXEFAGNPNKRL-KGLIPLIRSA-N	1	1	355.423	2.087	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C(=O)OCC	ZINC000870032706	684677979	/nfs/dbraw/zinc/67/79/79/684677979.db2.gz	JPYXCRWCTBYTCW-CQSZACIVSA-N	1	1	355.822	2.075	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c(O)c(OC)c1	ZINC000872807731	685018332	/nfs/dbraw/zinc/01/83/32/685018332.db2.gz	ZNUBJMIWEWQVSD-KDURUIRLSA-N	1	1	365.495	2.386	20	30		FEEDMO
C=CCc1cc(C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c(O)c(OC)c1	ZINC000872807731	685018336	/nfs/dbraw/zinc/01/83/36/685018336.db2.gz	ZNUBJMIWEWQVSD-KDURUIRLSA-N	1	1	365.495	2.386	20	30		FEEDMO
Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)Nc2nc(Cl)c(C#N)s2)cn1	ZINC000875681764	686063503	/nfs/dbraw/zinc/06/35/03/686063503.db2.gz	KDELKDYWJUYJQI-WDEREUQCSA-N	1	1	364.862	2.076	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1	ZINC000880323013	687034748	/nfs/dbraw/zinc/03/47/48/687034748.db2.gz	MWNDFVHRHCFRMT-OLZOCXBDSA-N	1	1	351.472	2.108	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1	ZINC000880323013	687034751	/nfs/dbraw/zinc/03/47/51/687034751.db2.gz	MWNDFVHRHCFRMT-OLZOCXBDSA-N	1	1	351.472	2.108	20	30		FEEDMO
CC[N@@H+](CCNC(=O)Nc1ccc(Br)c(C#N)n1)C1CC1	ZINC000883085516	687560106	/nfs/dbraw/zinc/56/01/06/687560106.db2.gz	SYXYFFBJNFTFRC-UHFFFAOYSA-N	1	1	352.236	2.322	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccncc1)S(=O)(=O)c1cccc(C#N)c1	ZINC000886424724	688252708	/nfs/dbraw/zinc/25/27/08/688252708.db2.gz	ASHVQLSNILNYSD-UHFFFAOYSA-N	1	1	358.467	2.096	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000888423811	688609849	/nfs/dbraw/zinc/60/98/49/688609849.db2.gz	BIUCXBQFZDFHBS-LPEHRKFASA-N	1	1	357.867	2.287	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1nc(Cl)c(C#N)s1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000888423811	688609851	/nfs/dbraw/zinc/60/98/51/688609851.db2.gz	BIUCXBQFZDFHBS-LPEHRKFASA-N	1	1	357.867	2.287	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)NCc2nnc(-c3ccccc3)s2)C1	ZINC000888568515	688639805	/nfs/dbraw/zinc/63/98/05/688639805.db2.gz	JORSLMBRFNMFAT-HNNXBMFYSA-N	1	1	355.467	2.102	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2nnc(-c3ccccc3)s2)C1	ZINC000888568515	688639809	/nfs/dbraw/zinc/63/98/09/688639809.db2.gz	JORSLMBRFNMFAT-HNNXBMFYSA-N	1	1	355.467	2.102	20	30		FEEDMO
C#CCSCC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000888598812	688643683	/nfs/dbraw/zinc/64/36/83/688643683.db2.gz	IYJPSWGUCFAAEF-UHFFFAOYSA-N	1	1	357.479	2.278	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](c2cccs2)C2(CO)CCC2)C1	ZINC000890363338	688910809	/nfs/dbraw/zinc/91/08/09/688910809.db2.gz	MURBVKWWZQBQPX-WBVHZDCISA-N	1	1	361.511	2.349	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](c2cccs2)C2(CO)CCC2)C1	ZINC000890363338	688910810	/nfs/dbraw/zinc/91/08/10/688910810.db2.gz	MURBVKWWZQBQPX-WBVHZDCISA-N	1	1	361.511	2.349	20	30		FEEDMO
CCc1[nH+]c2ccccc2c(N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1C	ZINC000896608716	689904939	/nfs/dbraw/zinc/90/49/39/689904939.db2.gz	ANLVLQSMROMOKS-AUUYWEPGSA-N	1	1	355.463	2.480	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(Br)c1	ZINC000897221954	689990792	/nfs/dbraw/zinc/99/07/92/689990792.db2.gz	QPNPQNPNVLOGNC-JKSUJKDBSA-N	1	1	350.260	2.356	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1	ZINC000897221954	689990793	/nfs/dbraw/zinc/99/07/93/689990793.db2.gz	QPNPQNPNVLOGNC-JKSUJKDBSA-N	1	1	350.260	2.356	20	30		FEEDMO
C[C@H]1CN(C(=O)NCc2nc(C#N)cs2)CC[N@@H+]1Cc1ccccc1	ZINC000897273565	689998482	/nfs/dbraw/zinc/99/84/82/689998482.db2.gz	SEVKUUXOSBIFFR-AWEZNQCLSA-N	1	1	355.467	2.431	20	30		FEEDMO
C[C@H]1CN(C(=O)NCc2nc(C#N)cs2)CC[N@H+]1Cc1ccccc1	ZINC000897273565	689998486	/nfs/dbraw/zinc/99/84/86/689998486.db2.gz	SEVKUUXOSBIFFR-AWEZNQCLSA-N	1	1	355.467	2.431	20	30		FEEDMO
N#C[C@@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1c(Cl)cccc1Cl	ZINC000900609330	690538491	/nfs/dbraw/zinc/53/84/91/690538491.db2.gz	XWQPWNGDKGCSFK-SMDDNHRTSA-N	1	1	354.237	2.395	20	30		FEEDMO
N#C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1cccc(Cl)c1Cl	ZINC000900631606	690540832	/nfs/dbraw/zinc/54/08/32/690540832.db2.gz	AJCOXABUTUSYRF-FZMZJTMJSA-N	1	1	354.237	2.395	20	30		FEEDMO
N#C[C@@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1cccc(Cl)c1Cl	ZINC000900631605	690540942	/nfs/dbraw/zinc/54/09/42/690540942.db2.gz	AJCOXABUTUSYRF-BXUZGUMPSA-N	1	1	354.237	2.395	20	30		FEEDMO
N#C[C@@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccc(Cl)c(Cl)c1	ZINC000900643313	690542311	/nfs/dbraw/zinc/54/23/11/690542311.db2.gz	KPUWXTQKFQPYHE-SWLSCSKDSA-N	1	1	354.237	2.395	20	30		FEEDMO
Fc1cc(C=NNC(=S)NCCC[NH+]2CCOCC2)ccc1C(F)F	ZINC000901139342	690617642	/nfs/dbraw/zinc/61/76/42/690617642.db2.gz	PAMIXMOTBNZKHX-UHFFFAOYSA-N	1	1	374.432	2.284	20	30		FEEDMO
N#Cc1cc(Cl)cc(CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1	ZINC000903446161	690894388	/nfs/dbraw/zinc/89/43/88/690894388.db2.gz	UJEWXPNUOULTNU-RDTXWAMCSA-N	1	1	360.889	2.292	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906863358	691330868	/nfs/dbraw/zinc/33/08/68/691330868.db2.gz	HBCQIFGQGHOUEB-WMLDXEAASA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906863358	691330871	/nfs/dbraw/zinc/33/08/71/691330871.db2.gz	HBCQIFGQGHOUEB-WMLDXEAASA-N	1	1	356.451	2.067	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)cnc1C#N)C2	ZINC001164815343	720087420	/nfs/dbraw/zinc/08/74/20/720087420.db2.gz	YIHUUWGYOOYXIF-KSSFIOAISA-N	1	1	361.877	2.186	20	30		FEEDMO
N#Cc1c2c(cnc1N1CC[C@H]3[C@@H]1CCN3Cc1cccnc1)C[NH2+]CCC2	ZINC001164723639	720329930	/nfs/dbraw/zinc/32/99/30/720329930.db2.gz	IHKGSIHGOPRAMG-SFTDATJTSA-N	1	1	374.492	2.237	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)c(F)cc4C#N)C[C@@H]3C2)cn1	ZINC001164771666	721075238	/nfs/dbraw/zinc/07/52/38/721075238.db2.gz	SSDBGVLUXBXRFE-HIFRSBDPSA-N	1	1	374.851	2.438	20	30		FEEDMO
Cc1ccc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)nc1C#N	ZINC001164883564	721408203	/nfs/dbraw/zinc/40/82/03/721408203.db2.gz	AWIJFFUCFUJLJQ-NQIIRXRSSA-N	1	1	369.513	2.027	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C#N)c2F)[C@@H]2CCCO[C@H]12	ZINC001164805653	721553684	/nfs/dbraw/zinc/55/36/84/721553684.db2.gz	OITWUJWIVOAJTC-LMMKCTJWSA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C#N)c2F)[C@@H]2CCCO[C@H]12	ZINC001164805653	721553685	/nfs/dbraw/zinc/55/36/85/721553685.db2.gz	OITWUJWIVOAJTC-LMMKCTJWSA-N	1	1	367.428	2.356	20	30		FEEDMO
Cc1cc(C#N)cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164980354	722150942	/nfs/dbraw/zinc/15/09/42/722150942.db2.gz	NEEFZUIUTZFUSB-VQTJNVASSA-N	1	1	363.465	2.384	20	30		FEEDMO
N#Cc1ccccc1S(=O)(=O)N1CCC[N@H+](Cc2ccccc2)CC1	ZINC000024713501	539738954	/nfs/dbraw/zinc/73/89/54/539738954.db2.gz	BNOOLGJLJSAFNP-UHFFFAOYSA-N	1	1	355.463	2.455	20	30		FEEDMO
N#Cc1ccccc1S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2)CC1	ZINC000024713501	539738957	/nfs/dbraw/zinc/73/89/57/539738957.db2.gz	BNOOLGJLJSAFNP-UHFFFAOYSA-N	1	1	355.463	2.455	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC3(CC2)OCCO3)c1	ZINC000026933619	539797963	/nfs/dbraw/zinc/79/79/63/539797963.db2.gz	ILTDSMOLLQPKAH-UHFFFAOYSA-N	1	1	357.454	2.389	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@H](C)c3ccccc3)CC2)o1	ZINC000029717705	539862475	/nfs/dbraw/zinc/86/24/75/539862475.db2.gz	CIQKYMNYCWJJHP-OAHLLOKOSA-N	1	1	367.453	2.196	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1	ZINC000042132652	540052820	/nfs/dbraw/zinc/05/28/20/540052820.db2.gz	RNLNZCYKFZXHKH-KBPBESRZSA-N	1	1	356.426	2.408	20	30		FEEDMO
C=CCN(CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)Cc1ccccc1	ZINC000045796816	540227999	/nfs/dbraw/zinc/22/79/99/540227999.db2.gz	XTAYVHDEIMYQBS-FQEVSTJZSA-N	1	1	359.514	2.148	20	30		FEEDMO
CCC[N@@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccc(C#N)cc1	ZINC000047740099	540326124	/nfs/dbraw/zinc/32/61/24/540326124.db2.gz	XUOOVCMSZQYCGZ-UHFFFAOYSA-N	1	1	354.410	2.389	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSCc2ccc(C#N)cc2)C1	ZINC000047777045	540328057	/nfs/dbraw/zinc/32/80/57/540328057.db2.gz	HCOGZXKHUDDEFZ-GOSISDBHSA-N	1	1	361.511	2.264	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1	ZINC000048046404	540341650	/nfs/dbraw/zinc/34/16/50/540341650.db2.gz	GKAGAMBLMYPUCM-JXFKEZNVSA-N	1	1	362.518	2.011	20	30		FEEDMO
N#Cc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1	ZINC000048144604	540347474	/nfs/dbraw/zinc/34/74/74/540347474.db2.gz	RWHJWDBOGNJMIU-UHFFFAOYSA-N	1	1	364.449	2.390	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000052561396	540473891	/nfs/dbraw/zinc/47/38/91/540473891.db2.gz	BMNTXVUAJBHRSE-OAHLLOKOSA-N	1	1	356.470	2.019	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000052561396	540473893	/nfs/dbraw/zinc/47/38/93/540473893.db2.gz	BMNTXVUAJBHRSE-OAHLLOKOSA-N	1	1	356.470	2.019	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1	ZINC000052747958	540486755	/nfs/dbraw/zinc/48/67/55/540486755.db2.gz	KJCYWFNBCHBLDP-INIZCTEOSA-N	1	1	370.497	2.197	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCOc1ccc(Cl)cc1	ZINC000053681549	540549428	/nfs/dbraw/zinc/54/94/28/540549428.db2.gz	KPJFATJPNYOLBD-ZDUSSCGKSA-N	1	1	353.850	2.441	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@@H]1C	ZINC000054851166	540615049	/nfs/dbraw/zinc/61/50/49/540615049.db2.gz	OCICGPQCHCTEMI-HNNXBMFYSA-N	1	1	372.469	2.275	20	30		FEEDMO
C[C@H]1CCC[N@@H+](Cc2ccccc2CNS(=O)(=O)N(C)CCC#N)C1	ZINC000056064569	540698959	/nfs/dbraw/zinc/69/89/59/540698959.db2.gz	KGWNZIXHUJPWDA-INIZCTEOSA-N	1	1	364.515	2.098	20	30		FEEDMO
COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000063754073	541183474	/nfs/dbraw/zinc/18/34/74/541183474.db2.gz	ZKYIQHKKQAWWSL-FQEVSTJZSA-N	1	1	365.433	2.318	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000066241168	541294126	/nfs/dbraw/zinc/29/41/26/541294126.db2.gz	LJFBPUZFHXRAGY-HNNXBMFYSA-N	1	1	366.469	2.176	20	30		FEEDMO
C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[N@H+]1CCCC[C@H]1C	ZINC000066240549	541294170	/nfs/dbraw/zinc/29/41/70/541294170.db2.gz	XFWFRDLIHPYHPO-CABCVRRESA-N	1	1	366.469	2.319	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000066140029	541284494	/nfs/dbraw/zinc/28/44/94/541284494.db2.gz	HGNSIJMZWWFVSQ-HNNXBMFYSA-N	1	1	365.499	2.224	20	30		FEEDMO
C[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[N@@H+](C)C1CC1	ZINC000066623542	541348515	/nfs/dbraw/zinc/34/85/15/541348515.db2.gz	CUPXDJQRKMNHMI-MRXNPFEDSA-N	1	1	356.470	2.312	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[N@H+]1C	ZINC000542838650	541484582	/nfs/dbraw/zinc/48/45/82/541484582.db2.gz	MWMDCBAFBLDSGZ-QWHCGFSZSA-N	1	1	356.405	2.487	20	30		FEEDMO
C=C(C)C[N@@H+](CC)CC(=O)NCC(=O)Nc1ccccc1Br	ZINC000072817392	541872090	/nfs/dbraw/zinc/87/20/90/541872090.db2.gz	CZPXYMKUOYLQPO-UHFFFAOYSA-N	1	1	368.275	2.402	20	30		FEEDMO
C=C(C)C[N@H+](CC)CC(=O)NCC(=O)Nc1ccccc1Br	ZINC000072817392	541872094	/nfs/dbraw/zinc/87/20/94/541872094.db2.gz	CZPXYMKUOYLQPO-UHFFFAOYSA-N	1	1	368.275	2.402	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NCC[N@H+]1CCCC[C@H]1CC	ZINC000072855689	541882129	/nfs/dbraw/zinc/88/21/29/541882129.db2.gz	CCVMSVVOOZKBNW-MRXNPFEDSA-N	1	1	372.469	2.276	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000072868442	541886034	/nfs/dbraw/zinc/88/60/34/541886034.db2.gz	UDJDLDANYMAGSH-ICSRJNTNSA-N	1	1	356.514	2.448	20	30		FEEDMO
Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN(c2ncccc2C#N)CC1	ZINC000073125340	541921565	/nfs/dbraw/zinc/92/15/65/541921565.db2.gz	XTRJDXASZLTOQO-IBGZPJMESA-N	1	1	366.465	2.132	20	30		FEEDMO
N#Cc1cccnc1N1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1	ZINC000074023333	542027691	/nfs/dbraw/zinc/02/76/91/542027691.db2.gz	FKDHSLQYROZWNT-UHFFFAOYSA-N	1	1	353.401	2.243	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N(CCC)CC(F)(F)F)C1	ZINC000075926232	542217161	/nfs/dbraw/zinc/21/71/61/542217161.db2.gz	SHPPYHHUGDKNSL-UONOGXRCSA-N	1	1	363.424	2.190	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C1	ZINC000076618051	542301764	/nfs/dbraw/zinc/30/17/64/542301764.db2.gz	LQKIBOZBFWUBDN-IBGZPJMESA-N	1	1	362.433	2.230	20	30		FEEDMO
C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	ZINC000076734828	542318417	/nfs/dbraw/zinc/31/84/17/542318417.db2.gz	HJXWGDUPABNMJP-AWEZNQCLSA-N	1	1	353.488	2.162	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CCC[C@@H](O)C2)c1C#N	ZINC000078390780	542459406	/nfs/dbraw/zinc/45/94/06/542459406.db2.gz	SARGDQIBEVPWOG-MRXNPFEDSA-N	1	1	370.453	2.403	20	30		FEEDMO
Cc1cccc(C[NH+]2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)c1	ZINC000078315446	542453951	/nfs/dbraw/zinc/45/39/51/542453951.db2.gz	NPAFBCRQOZGZSL-UHFFFAOYSA-N	1	1	354.498	2.455	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@H]3C2)nc1	ZINC000078419793	542460429	/nfs/dbraw/zinc/46/04/29/542460429.db2.gz	GTOFJTVWDZKCMY-ZJOUEHCJSA-N	1	1	360.461	2.184	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CC[NH+](CCN(C)C)CC1	ZINC000079596819	542530366	/nfs/dbraw/zinc/53/03/66/542530366.db2.gz	BRPROPFSOSBTRW-UHFFFAOYSA-N	1	1	374.529	2.419	20	30		FEEDMO
Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)nc1	ZINC000080927319	542616061	/nfs/dbraw/zinc/61/60/61/542616061.db2.gz	HDQOONOZUISNGZ-JXFKEZNVSA-N	1	1	371.485	2.095	20	30		FEEDMO
Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)nc1	ZINC000080927319	542616064	/nfs/dbraw/zinc/61/60/64/542616064.db2.gz	HDQOONOZUISNGZ-JXFKEZNVSA-N	1	1	371.485	2.095	20	30		FEEDMO
Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000080929296	542615741	/nfs/dbraw/zinc/61/57/41/542615741.db2.gz	PQADPEIGSZAJPM-JXFKEZNVSA-N	1	1	371.485	2.095	20	30		FEEDMO
Cc1cccnc1NC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000080929296	542615745	/nfs/dbraw/zinc/61/57/45/542615745.db2.gz	PQADPEIGSZAJPM-JXFKEZNVSA-N	1	1	371.485	2.095	20	30		FEEDMO
CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	ZINC000081576031	542665720	/nfs/dbraw/zinc/66/57/20/542665720.db2.gz	LPUGMJRVGXXYFD-ZDUSSCGKSA-N	1	1	373.501	2.344	20	30		FEEDMO
N#Cc1ccc(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1	ZINC000089681995	542769380	/nfs/dbraw/zinc/76/93/80/542769380.db2.gz	ATBROEMLPOMBQF-RTBURBONSA-N	1	1	350.422	2.315	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc3C2)CC1	ZINC000091577854	542813799	/nfs/dbraw/zinc/81/37/99/542813799.db2.gz	PWXRWXVMWKKQGQ-RTWAWAEBSA-N	1	1	368.525	2.168	20	30		FEEDMO
CO[C@H](C)c1noc(CN2CCC[N@H+](Cc3cc(C#N)cs3)CC2)n1	ZINC000091867793	542829252	/nfs/dbraw/zinc/82/92/52/542829252.db2.gz	ZDDGZTWLSVYBSJ-CYBMUJFWSA-N	1	1	361.471	2.418	20	30		FEEDMO
CO[C@H](C)c1noc(CN2CCC[N@@H+](Cc3cc(C#N)cs3)CC2)n1	ZINC000091867793	542829255	/nfs/dbraw/zinc/82/92/55/542829255.db2.gz	ZDDGZTWLSVYBSJ-CYBMUJFWSA-N	1	1	361.471	2.418	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)COc3ccccc3O)CC2)cc1	ZINC000097044731	543003432	/nfs/dbraw/zinc/00/34/32/543003432.db2.gz	DUHRYRWJHLNDFQ-UHFFFAOYSA-N	1	1	365.433	2.377	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccccc3O)CC2)cc1	ZINC000097044731	543003434	/nfs/dbraw/zinc/00/34/34/543003434.db2.gz	DUHRYRWJHLNDFQ-UHFFFAOYSA-N	1	1	365.433	2.377	20	30		FEEDMO
C[C@H]1CN(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)C[C@H](C)O1	ZINC000103470117	543109583	/nfs/dbraw/zinc/10/95/83/543109583.db2.gz	GGKMXPJMHGUNHI-LNLFQRSKSA-N	1	1	370.497	2.460	20	30		FEEDMO
COc1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)c(OC)c1	ZINC000104731896	543139933	/nfs/dbraw/zinc/13/99/33/543139933.db2.gz	BKWWGPHWXHPYBH-KRWDZBQOSA-N	1	1	356.422	2.447	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1Cl	ZINC000106786629	543246689	/nfs/dbraw/zinc/24/66/89/543246689.db2.gz	OJRHOSRIYQVHFA-AWEZNQCLSA-N	1	1	360.845	2.283	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccc(C#N)cn3)cc2)CC1	ZINC000107555567	543272560	/nfs/dbraw/zinc/27/25/60/543272560.db2.gz	QWMNYRKWCCUGGF-UHFFFAOYSA-N	1	1	363.465	2.021	20	30		FEEDMO
C=C(C)CN(CC)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000108579047	543295347	/nfs/dbraw/zinc/29/53/47/543295347.db2.gz	QJSYZYVXRZILGH-LJQANCHMSA-N	1	1	372.513	2.492	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2CN2CCOCC2)cc1	ZINC000109819061	543340406	/nfs/dbraw/zinc/34/04/06/543340406.db2.gz	VGTVUAKFDHKYEP-IBGZPJMESA-N	1	1	356.470	2.074	20	30		FEEDMO
CC[C@H](C)[C@H](C)[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1	ZINC000111226792	543386495	/nfs/dbraw/zinc/38/64/95/543386495.db2.gz	LTUYIGSCOJAIOB-GJZGRUSLSA-N	1	1	373.501	2.402	20	30		FEEDMO
C=CC1CC[NH+](CC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1	ZINC000111259856	543390206	/nfs/dbraw/zinc/39/02/06/543390206.db2.gz	DBOQWFCJSYSOKS-UHFFFAOYSA-N	1	1	365.499	2.082	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000111489022	543403530	/nfs/dbraw/zinc/40/35/30/543403530.db2.gz	XOARIXORTNNJCV-GOSISDBHSA-N	1	1	370.501	2.096	20	30		FEEDMO
C[C@H](CN1CCN(C)CC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1	ZINC000113339437	543484419	/nfs/dbraw/zinc/48/44/19/543484419.db2.gz	OCJQACPYXSUGAO-GOSISDBHSA-N	1	1	366.513	2.189	20	30		FEEDMO
CCCC[N@@H+](C)CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000114599282	543525243	/nfs/dbraw/zinc/52/52/43/543525243.db2.gz	HXVGNKYNGKQSCJ-LJQANCHMSA-N	1	1	357.502	2.138	20	30		FEEDMO
N#Cc1ccc([C@@H]([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)C(N)=O)cc1	ZINC000115598100	543577988	/nfs/dbraw/zinc/57/79/88/543577988.db2.gz	PQVRYUDSJOJNQF-OAQYLSRUSA-N	1	1	372.428	2.084	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(C(=O)Nc3ccn(CCC#N)n3)CC2)cs1	ZINC000117855824	543641263	/nfs/dbraw/zinc/64/12/63/543641263.db2.gz	DFZUCFTUGWDCHX-UHFFFAOYSA-N	1	1	358.471	2.412	20	30		FEEDMO
CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000121299115	543692370	/nfs/dbraw/zinc/69/23/70/543692370.db2.gz	XNDYHLHHWNGQLX-GOSISDBHSA-N	1	1	372.469	2.106	20	30		FEEDMO
CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000121299115	543692371	/nfs/dbraw/zinc/69/23/71/543692371.db2.gz	XNDYHLHHWNGQLX-GOSISDBHSA-N	1	1	372.469	2.106	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21	ZINC000119432920	543667583	/nfs/dbraw/zinc/66/75/83/543667583.db2.gz	KYPQRDFKBOSHFW-HKUYNNGSSA-N	1	1	357.502	2.289	20	30		FEEDMO
CC(=O)N(C)C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1	ZINC000119836776	543672397	/nfs/dbraw/zinc/67/23/97/543672397.db2.gz	UGYOPJFRJRFXMV-HNNXBMFYSA-N	1	1	374.460	2.404	20	30		FEEDMO
C=CCOc1cccc(C[N@@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)c1	ZINC000120137739	543676014	/nfs/dbraw/zinc/67/60/14/543676014.db2.gz	JWFOAZKHDKQOAR-KRWDZBQOSA-N	1	1	353.484	2.277	20	30		FEEDMO
C=CCOc1cccc(C[N@H+](CCCOC)[C@H]2CCS(=O)(=O)C2)c1	ZINC000120137739	543676017	/nfs/dbraw/zinc/67/60/17/543676017.db2.gz	JWFOAZKHDKQOAR-KRWDZBQOSA-N	1	1	353.484	2.277	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3cc(C(N)=O)cs3)CC2)cc1	ZINC000122837711	543726711	/nfs/dbraw/zinc/72/67/11/543726711.db2.gz	QWUGTRBARIPXGV-UHFFFAOYSA-N	1	1	354.479	2.427	20	30		FEEDMO
N#Cc1ccc(CN2CCC[N@@H+](Cc3cc(C(N)=O)cs3)CC2)cc1	ZINC000122837711	543726717	/nfs/dbraw/zinc/72/67/17/543726717.db2.gz	QWUGTRBARIPXGV-UHFFFAOYSA-N	1	1	354.479	2.427	20	30		FEEDMO
N#Cc1ccc(CN2CCC[N@H+](Cc3cc(C(N)=O)cs3)CC2)cc1	ZINC000122837711	543726721	/nfs/dbraw/zinc/72/67/21/543726721.db2.gz	QWUGTRBARIPXGV-UHFFFAOYSA-N	1	1	354.479	2.427	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1	ZINC000124152011	543804021	/nfs/dbraw/zinc/80/40/21/543804021.db2.gz	SIXCJXQMFOLQEV-QGZVFWFLSA-N	1	1	359.470	2.430	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1	ZINC000125510565	543885578	/nfs/dbraw/zinc/88/55/78/543885578.db2.gz	AFVJXKSTRNXNTD-GUDVDZBRSA-N	1	1	358.482	2.145	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[N@@H+]1C1CC1	ZINC000126087424	543916955	/nfs/dbraw/zinc/91/69/55/543916955.db2.gz	HINNNGHCFVDQOY-ZWNOBZJWSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C[N@H+]1C1CC1	ZINC000126087424	543916956	/nfs/dbraw/zinc/91/69/56/543916956.db2.gz	HINNNGHCFVDQOY-ZWNOBZJWSA-N	1	1	373.400	2.481	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1	ZINC000126305074	543928670	/nfs/dbraw/zinc/92/86/70/543928670.db2.gz	YUPIXRRWIXJIOH-LBPRGKRZSA-N	1	1	372.252	2.458	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1	ZINC000126305074	543928673	/nfs/dbraw/zinc/92/86/73/543928673.db2.gz	YUPIXRRWIXJIOH-LBPRGKRZSA-N	1	1	372.252	2.458	20	30		FEEDMO
CCC[C@H]1CN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC[N@H+]1CCOC	ZINC000127935912	544022370	/nfs/dbraw/zinc/02/23/70/544022370.db2.gz	OOSVERXLFGRYLM-AEFFLSMTSA-N	1	1	359.470	2.285	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N(CC)c2nc3ccccc3s2)CC1	ZINC000127402725	543990787	/nfs/dbraw/zinc/99/07/87/543990787.db2.gz	INLVXWAQYBDRLF-UHFFFAOYSA-N	1	1	356.495	2.290	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(C#N)c2)C[N@H+]1Cc1ccccc1	ZINC000128126193	544033982	/nfs/dbraw/zinc/03/39/82/544033982.db2.gz	OGTKRJLPHLGITE-MAUKXSAKSA-N	1	1	355.463	2.500	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+](Cc2c[nH]nc2-c2cccnc2)CC1	ZINC000129691546	544123195	/nfs/dbraw/zinc/12/31/95/544123195.db2.gz	YGZABGDVYHKIOQ-UHFFFAOYSA-N	1	1	359.437	2.451	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC(=O)N[C@@H]3CCCC[C@@H]31)CCC2	ZINC000133442083	544270291	/nfs/dbraw/zinc/27/02/91/544270291.db2.gz	PSUGVWMMAZZDEN-CABCVRRESA-N	1	1	372.494	2.180	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC(=O)N[C@@H]3CCCC[C@@H]31)CCC2	ZINC000133442083	544270293	/nfs/dbraw/zinc/27/02/93/544270293.db2.gz	PSUGVWMMAZZDEN-CABCVRRESA-N	1	1	372.494	2.180	20	30		FEEDMO
C[N@@H+](CCOc1cccc(CNC(=O)C2(C#N)CCC2)c1)C1CCOCC1	ZINC000134791384	544321681	/nfs/dbraw/zinc/32/16/81/544321681.db2.gz	QQGZFNRLTHBKNM-UHFFFAOYSA-N	1	1	371.481	2.486	20	30		FEEDMO
CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1	ZINC000135737721	544360277	/nfs/dbraw/zinc/36/02/77/544360277.db2.gz	NFGNGNARSIIURM-KRWDZBQOSA-N	1	1	361.511	2.488	20	30		FEEDMO
C[N@@H+](CCNC(=O)C(=O)Nc1ccc(C#N)cc1F)Cc1ccc(F)cc1	ZINC000136535960	544374155	/nfs/dbraw/zinc/37/41/55/544374155.db2.gz	NMERJXANCLEUCS-UHFFFAOYSA-N	1	1	372.375	2.023	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CCC[N@H+]3CCC[C@H]3C2)ccc1OCC#N	ZINC000142287638	544416640	/nfs/dbraw/zinc/41/66/40/544416640.db2.gz	GDDMNBZULPOFFT-JKNJVXJCSA-N	1	1	355.438	2.307	20	30		FEEDMO
CC[C@H](NC(=O)c1cc(C#N)cn1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000152319328	544638478	/nfs/dbraw/zinc/63/84/78/544638478.db2.gz	CZCPBSIGQYEGGJ-ICSRJNTNSA-N	1	1	366.465	2.306	20	30		FEEDMO
CC[C@H](NC(=O)c1cc(C#N)cn1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000152319328	544638484	/nfs/dbraw/zinc/63/84/84/544638484.db2.gz	CZCPBSIGQYEGGJ-ICSRJNTNSA-N	1	1	366.465	2.306	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(Cc2ccncc2)CC1	ZINC000152766534	544694087	/nfs/dbraw/zinc/69/40/87/544694087.db2.gz	NVYGFEXPUFBVOQ-UHFFFAOYSA-N	1	1	355.467	2.161	20	30		FEEDMO
CCO[C@@H]1C[C@H](O)C12CC[NH+](CC(=O)N(CCC#N)c1ccccc1)CC2	ZINC000152959477	544716023	/nfs/dbraw/zinc/71/60/23/544716023.db2.gz	ORBQCMOXZDFWCL-RBUKOAKNSA-N	1	1	371.481	2.185	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153319541	544760019	/nfs/dbraw/zinc/76/00/19/544760019.db2.gz	IZELRYZERHDTKX-LLVKDONJSA-N	1	1	360.849	2.409	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153319939	544760942	/nfs/dbraw/zinc/76/09/42/544760942.db2.gz	SAUWTGWQDNDROA-LBPRGKRZSA-N	1	1	374.876	2.086	20	30		FEEDMO
COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153324314	544761924	/nfs/dbraw/zinc/76/19/24/544761924.db2.gz	USJJVCYBLLMOQO-ZDUSSCGKSA-N	1	1	370.457	2.072	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C	ZINC000154111966	544866046	/nfs/dbraw/zinc/86/60/46/544866046.db2.gz	OAFPVMLMAIMXHM-KRWDZBQOSA-N	1	1	372.513	2.423	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000154323320	544891302	/nfs/dbraw/zinc/89/13/02/544891302.db2.gz	TVMFFVRMFQAIAB-CTNGQTDRSA-N	1	1	363.461	2.480	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(OCCCO)CC1	ZINC000154898664	544963587	/nfs/dbraw/zinc/96/35/87/544963587.db2.gz	ADBOKLHIXBLSJL-CYBMUJFWSA-N	1	1	365.861	2.402	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](C)[N@H+]3CCC[C@H](C)C3)CC2)o1	ZINC000189102677	328128826	/nfs/dbraw/zinc/12/88/26/328128826.db2.gz	JOEASFQFWUNKHS-GJZGRUSLSA-N	1	1	373.501	2.308	20	30		FEEDMO
COCCC[N@H+](CCO)CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000189913491	328175699	/nfs/dbraw/zinc/17/56/99/328175699.db2.gz	UONNADKRMOHRTQ-UHFFFAOYSA-N	1	1	365.499	2.158	20	30		FEEDMO
COCCC[N@@H+](CCO)CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000189913491	328175701	/nfs/dbraw/zinc/17/57/01/328175701.db2.gz	UONNADKRMOHRTQ-UHFFFAOYSA-N	1	1	365.499	2.158	20	30		FEEDMO
Cn1cc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)cc1C#N	ZINC000190877367	328237827	/nfs/dbraw/zinc/23/78/27/328237827.db2.gz	MWLMGMRRKMMGSD-UHFFFAOYSA-N	1	1	360.483	2.263	20	30		FEEDMO
C[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1cccc(C#N)c1	ZINC000191889684	328287013	/nfs/dbraw/zinc/28/70/13/328287013.db2.gz	KOOQRQPAZJGTQK-UHFFFAOYSA-N	1	1	357.479	2.452	20	30		FEEDMO
C[N@@H+](CCN(Cc1ccccc1)S(C)(=O)=O)Cc1cccc(C#N)c1	ZINC000191889684	328287014	/nfs/dbraw/zinc/28/70/14/328287014.db2.gz	KOOQRQPAZJGTQK-UHFFFAOYSA-N	1	1	357.479	2.452	20	30		FEEDMO
Cc1cc(CN2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)on1	ZINC000026339801	324426573	/nfs/dbraw/zinc/42/65/73/324426573.db2.gz	OPIWYQDZOBXFDM-UHFFFAOYSA-N	1	1	353.426	2.001	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1	ZINC000048731241	324672148	/nfs/dbraw/zinc/67/21/48/324672148.db2.gz	LHRSVURZSIHNCL-QGZVFWFLSA-N	1	1	366.421	2.433	20	30		FEEDMO
C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3cccs3)n[nH]2)c1C#N	ZINC000089662939	325326030	/nfs/dbraw/zinc/32/60/30/325326030.db2.gz	GUFPKVOCJLVWEA-UHFFFAOYSA-N	1	1	355.427	2.137	20	30		FEEDMO
CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104714251	325543017	/nfs/dbraw/zinc/54/30/17/325543017.db2.gz	PWXMCVLJURTMKG-CQSZACIVSA-N	1	1	358.442	2.024	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000119740005	326193386	/nfs/dbraw/zinc/19/33/86/326193386.db2.gz	WSGKZZUSGGMXEE-UHFFFAOYSA-N	1	1	362.430	2.074	20	30		FEEDMO
N#Cc1ccc(Oc2ccc(NC(=O)N3CC[NH+](CCO)CC3)cc2)cc1	ZINC000120244239	326243312	/nfs/dbraw/zinc/24/33/12/326243312.db2.gz	NFNZGHJITXINSP-UHFFFAOYSA-N	1	1	366.421	2.492	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(c2cccc(Cl)c2)C1=O	ZINC000121456905	326340172	/nfs/dbraw/zinc/34/01/72/326340172.db2.gz	IIIKUUQTXWVJED-INIZCTEOSA-N	1	1	372.860	2.187	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)c1	ZINC000158598795	326901135	/nfs/dbraw/zinc/90/11/35/326901135.db2.gz	FZTQIRIRANEYLL-INIZCTEOSA-N	1	1	350.422	2.378	20	30		FEEDMO
CNC(=O)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000170910121	327107146	/nfs/dbraw/zinc/10/71/46/327107146.db2.gz	SGQLKDOJZHBYDA-AWEZNQCLSA-N	1	1	360.483	2.038	20	30		FEEDMO
CNC(=O)CC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000171670717	327153956	/nfs/dbraw/zinc/15/39/56/327153956.db2.gz	XCIXENHWUDZVEA-GFCCVEGCSA-N	1	1	362.499	2.141	20	30		FEEDMO
C[N@@H+](CCCO)C1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000172048815	327177839	/nfs/dbraw/zinc/17/78/39/327177839.db2.gz	BYKUSVITEMIGRF-UHFFFAOYSA-N	1	1	361.490	2.425	20	30		FEEDMO
CN1CC[NH+](CCOc2ccc(NC(=O)c3sccc3C#N)cc2)CC1	ZINC000174040398	327302897	/nfs/dbraw/zinc/30/28/97/327302897.db2.gz	ZHZASPGGVTWEHT-UHFFFAOYSA-N	1	1	370.478	2.498	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)NCc1cc(C#N)ccc1F)[NH+]1CCOCC1	ZINC000174863963	327355947	/nfs/dbraw/zinc/35/59/47/327355947.db2.gz	YRCVTIQMZQMMMX-KRWDZBQOSA-N	1	1	362.449	2.243	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)NC1CC[NH+](Cc2ccncc2)CC1	ZINC000178516210	327589816	/nfs/dbraw/zinc/58/98/16/327589816.db2.gz	DMAGAPDDBWPWTC-UHFFFAOYSA-N	1	1	374.441	2.035	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1	ZINC000261649697	328808870	/nfs/dbraw/zinc/80/88/70/328808870.db2.gz	HFJIXPWZFFWHLM-KRWDZBQOSA-N	1	1	359.426	2.341	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1C(F)(F)F	ZINC000262040363	328837279	/nfs/dbraw/zinc/83/72/79/328837279.db2.gz	LENBBNRVQSCNQV-TXEJJXNPSA-N	1	1	359.373	2.092	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccsc1	ZINC000264034588	328986658	/nfs/dbraw/zinc/98/66/58/328986658.db2.gz	BQBJLZSRYHNDTO-HNNXBMFYSA-N	1	1	353.444	2.340	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NS(=O)(=O)c1ccc(C#N)nc1	ZINC000267289189	329311043	/nfs/dbraw/zinc/31/10/43/329311043.db2.gz	QWOBMMPFGCJPNF-HNAYVOBHSA-N	1	1	370.478	2.142	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1C#N	ZINC000297125663	330194241	/nfs/dbraw/zinc/19/42/41/330194241.db2.gz	PIYVFCNHWICTTQ-KRWDZBQOSA-N	1	1	360.458	2.314	20	30		FEEDMO
C=CCc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000555566208	674367050	/nfs/dbraw/zinc/36/70/50/674367050.db2.gz	IFBJGSAIYRNCGE-CKEIUWERSA-N	1	1	350.415	2.172	20	30		FEEDMO
CN(CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000247556691	549356612	/nfs/dbraw/zinc/35/66/12/549356612.db2.gz	QJZFLFPQOUIYHE-WIYYLYMNSA-N	1	1	354.498	2.249	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1F	ZINC000156023768	545592742	/nfs/dbraw/zinc/59/27/42/545592742.db2.gz	LLQSVBKGZQDVOD-UGSOOPFHSA-N	1	1	370.428	2.111	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)[N@@H+](C)C1CC1	ZINC000157151568	545706652	/nfs/dbraw/zinc/70/66/52/545706652.db2.gz	YWYNFMIMYVLJBF-JTQLQIEISA-N	1	1	361.389	2.338	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1	ZINC000157541153	545753171	/nfs/dbraw/zinc/75/31/71/545753171.db2.gz	IGDUTUZZGSLSLU-QGZVFWFLSA-N	1	1	369.421	2.319	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1	ZINC000157541153	545753177	/nfs/dbraw/zinc/75/31/77/545753177.db2.gz	IGDUTUZZGSLSLU-QGZVFWFLSA-N	1	1	369.421	2.319	20	30		FEEDMO
N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1	ZINC000158967821	545910714	/nfs/dbraw/zinc/91/07/14/545910714.db2.gz	YQNFNWVKFOHHSQ-HXUWFJFHSA-N	1	1	363.465	2.171	20	30		FEEDMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccc(OCC#N)cc2)C[C@H](C)O1	ZINC000170804394	546177185	/nfs/dbraw/zinc/17/71/85/546177185.db2.gz	NDVBUNSTACYRKZ-HOTGVXAUSA-N	1	1	374.485	2.276	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)CN1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1	ZINC000171704712	546219852	/nfs/dbraw/zinc/21/98/52/546219852.db2.gz	CHXQVTAKEKILAV-ROUUACIJSA-N	1	1	372.513	2.382	20	30		FEEDMO
C#CCSCCNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2	ZINC000172542814	546257190	/nfs/dbraw/zinc/25/71/90/546257190.db2.gz	ITJJPPNKVCROOM-OAHLLOKOSA-N	1	1	373.522	2.468	20	30		FEEDMO
N#Cc1ccc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(F)c1	ZINC000174767710	546303138	/nfs/dbraw/zinc/30/31/38/546303138.db2.gz	NYIOZWWRMVRZLJ-QGZVFWFLSA-N	1	1	360.433	2.094	20	30		FEEDMO
N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)c2ccccc21	ZINC000175272238	546307899	/nfs/dbraw/zinc/30/78/99/546307899.db2.gz	LJTHQKBTUHEHDB-OAHLLOKOSA-N	1	1	352.438	2.325	20	30		FEEDMO
N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)c2ccccc21	ZINC000175272238	546307905	/nfs/dbraw/zinc/30/79/05/546307905.db2.gz	LJTHQKBTUHEHDB-OAHLLOKOSA-N	1	1	352.438	2.325	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)c1	ZINC000175929903	546373691	/nfs/dbraw/zinc/37/36/91/546373691.db2.gz	WZMUHILAHVUYEC-UHFFFAOYSA-N	1	1	357.454	2.134	20	30		FEEDMO
C=CCN(CC=C)C(=O)CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000177506425	546632521	/nfs/dbraw/zinc/63/25/21/546632521.db2.gz	GKOXQIRTWJXSHA-RTBURBONSA-N	1	1	363.546	2.398	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000177738806	546677312	/nfs/dbraw/zinc/67/73/12/546677312.db2.gz	WOJNAGLEVKGGFI-QGZVFWFLSA-N	1	1	356.470	2.241	20	30		FEEDMO
CCCC[N@@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000481068818	561224396	/nfs/dbraw/zinc/22/43/96/561224396.db2.gz	DMTQJTWYHIDCIH-CQSZACIVSA-N	1	1	366.487	2.226	20	30		FEEDMO
N#CCc1cccc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1	ZINC000178441314	546795066	/nfs/dbraw/zinc/79/50/66/546795066.db2.gz	UAKHJLJEPZRDOF-LEWJYISDSA-N	1	1	363.461	2.365	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1	ZINC000178944116	546877667	/nfs/dbraw/zinc/87/76/67/546877667.db2.gz	UIOMPHOOPRTABH-MSOLQXFVSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1	ZINC000178944116	546877670	/nfs/dbraw/zinc/87/76/70/546877670.db2.gz	UIOMPHOOPRTABH-MSOLQXFVSA-N	1	1	359.426	2.421	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000180679322	547157123	/nfs/dbraw/zinc/15/71/23/547157123.db2.gz	XKVOXPUVBXMRHO-IYBDPMFKSA-N	1	1	359.470	2.269	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000180679322	547157124	/nfs/dbraw/zinc/15/71/24/547157124.db2.gz	XKVOXPUVBXMRHO-IYBDPMFKSA-N	1	1	359.470	2.269	20	30		FEEDMO
C[C@@H]([NH2+][C@H](C)c1ccc(Br)cn1)C(=O)NC1(C#N)CCC1	ZINC000482993817	561264508	/nfs/dbraw/zinc/26/45/08/561264508.db2.gz	YRWRVLYHBIJFCS-GHMZBOCLSA-N	1	1	351.248	2.446	20	30		FEEDMO
C=CCNC(=O)c1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nc1	ZINC000181144897	547258200	/nfs/dbraw/zinc/25/82/00/547258200.db2.gz	MAUAJRXHAOWUFP-LJQANCHMSA-N	1	1	366.465	2.176	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCCC[C@H]1C	ZINC000181655811	547352945	/nfs/dbraw/zinc/35/29/45/547352945.db2.gz	XVPRKQZCBKGOLJ-CVEARBPZSA-N	1	1	372.469	2.297	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCOCC3)CC2)cc1	ZINC000181800307	547384171	/nfs/dbraw/zinc/38/41/71/547384171.db2.gz	RXKDFJCGNDMKKJ-LJQANCHMSA-N	1	1	356.470	2.345	20	30		FEEDMO
CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC)c1	ZINC000181929348	547407197	/nfs/dbraw/zinc/40/71/97/547407197.db2.gz	IGIDIOAHPOOAAP-ZDUSSCGKSA-N	1	1	359.451	2.326	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](Cn4cncn4)C3)C2=O)cc1	ZINC000182790722	547552960	/nfs/dbraw/zinc/55/29/60/547552960.db2.gz	AHBQWPBKFBGUPB-HKUYNNGSSA-N	1	1	364.453	2.057	20	30		FEEDMO
C=CCCC[N@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000182790648	547553123	/nfs/dbraw/zinc/55/31/23/547553123.db2.gz	LLGANEWOSACULV-LJQANCHMSA-N	1	1	358.461	2.433	20	30		FEEDMO
CC(C)c1[nH+]ccn1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000182832890	547559013	/nfs/dbraw/zinc/55/90/13/547559013.db2.gz	OXJCWFFZELMDNF-HNNXBMFYSA-N	1	1	357.483	2.477	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c(Cl)c1	ZINC000183470289	547666004	/nfs/dbraw/zinc/66/60/04/547666004.db2.gz	QSGOHVJSVLQDGR-UHFFFAOYSA-N	1	1	353.875	2.461	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CCCCOc1cccc(C#N)c1	ZINC000184393628	547819731	/nfs/dbraw/zinc/81/97/31/547819731.db2.gz	VGQRWQONQPXZMI-GOSISDBHSA-N	1	1	372.513	2.250	20	30		FEEDMO
C[C@@H](c1ccsc1)[NH+]1CCN(CC(=O)N(CCC#N)CCC#N)CC1	ZINC000185442957	547985587	/nfs/dbraw/zinc/98/55/87/547985587.db2.gz	ADEVMYGNHRPKJF-INIZCTEOSA-N	1	1	359.499	2.083	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000188280261	548276927	/nfs/dbraw/zinc/27/69/27/548276927.db2.gz	IPHANNYXEZEVEJ-SIKLNZKXSA-N	1	1	373.541	2.368	20	30		FEEDMO
CC[C@]1(CO)CCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000189674741	548307705	/nfs/dbraw/zinc/30/77/05/548307705.db2.gz	GZMATNNDDLOQIE-GOSISDBHSA-N	1	1	368.399	2.410	20	30		FEEDMO
COCCO[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1	ZINC000189650894	548307743	/nfs/dbraw/zinc/30/77/43/548307743.db2.gz	CLJDZGFBFPCGNC-LJQANCHMSA-N	1	1	359.470	2.287	20	30		FEEDMO
COCCO[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1	ZINC000189650894	548307751	/nfs/dbraw/zinc/30/77/51/548307751.db2.gz	CLJDZGFBFPCGNC-LJQANCHMSA-N	1	1	359.470	2.287	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)CC2(O)CCOCC2)c1	ZINC000189767148	548310879	/nfs/dbraw/zinc/31/08/79/548310879.db2.gz	QGXDAGCTQJSECB-UHFFFAOYSA-N	1	1	359.470	2.023	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000194634164	548509415	/nfs/dbraw/zinc/50/94/15/548509415.db2.gz	JCHRXLFWLPBXAU-GOSISDBHSA-N	1	1	362.433	2.135	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)O1	ZINC000195322292	548622477	/nfs/dbraw/zinc/62/24/77/548622477.db2.gz	YZOJHUMUZDUUQV-OKILXGFUSA-N	1	1	364.877	2.191	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)CC(=O)Nc2cc(Cl)ccc2C#N)C[C@H](C)O1	ZINC000195322292	548622482	/nfs/dbraw/zinc/62/24/82/548622482.db2.gz	YZOJHUMUZDUUQV-OKILXGFUSA-N	1	1	364.877	2.191	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000245436087	548919107	/nfs/dbraw/zinc/91/91/07/548919107.db2.gz	DEPARLISAJCBJR-HUUCEWRRSA-N	1	1	361.446	2.289	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000245436087	548919112	/nfs/dbraw/zinc/91/91/12/548919112.db2.gz	DEPARLISAJCBJR-HUUCEWRRSA-N	1	1	361.446	2.289	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000245458104	548926581	/nfs/dbraw/zinc/92/65/81/548926581.db2.gz	UTKCFNYSDHQMHV-SJORKVTESA-N	1	1	357.454	2.421	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000245598637	548954798	/nfs/dbraw/zinc/95/47/98/548954798.db2.gz	TVMFFVRMFQAIAB-PZJWPPBQSA-N	1	1	363.461	2.480	20	30		FEEDMO
C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1	ZINC000246042420	549041030	/nfs/dbraw/zinc/04/10/30/549041030.db2.gz	SBIUOBPXFCJHKZ-ROUUACIJSA-N	1	1	366.527	2.312	20	30		FEEDMO
COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1	ZINC000246291427	549098129	/nfs/dbraw/zinc/09/81/29/549098129.db2.gz	OWCXWLOJHJGHAT-BPQIPLTHSA-N	1	1	357.454	2.026	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000488607139	561392782	/nfs/dbraw/zinc/39/27/82/561392782.db2.gz	HVQXLXNIUDVLIF-KRWDZBQOSA-N	1	1	372.469	2.083	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1	ZINC000488607139	561392783	/nfs/dbraw/zinc/39/27/83/561392783.db2.gz	HVQXLXNIUDVLIF-KRWDZBQOSA-N	1	1	372.469	2.083	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000246505658	549148381	/nfs/dbraw/zinc/14/83/81/549148381.db2.gz	OMSFWYWNMFZJLK-VOJFVSQTSA-N	1	1	361.467	2.320	20	30		FEEDMO
COC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000246505658	549148385	/nfs/dbraw/zinc/14/83/85/549148385.db2.gz	OMSFWYWNMFZJLK-VOJFVSQTSA-N	1	1	361.467	2.320	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](CO)[C@@H]2C)c1C#N	ZINC000488719743	561395316	/nfs/dbraw/zinc/39/53/16/561395316.db2.gz	OTAHGAKLWJQTLU-JKSUJKDBSA-N	1	1	370.453	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](CO)[C@@H]2C)c1C#N	ZINC000488719743	561395317	/nfs/dbraw/zinc/39/53/17/561395317.db2.gz	OTAHGAKLWJQTLU-JKSUJKDBSA-N	1	1	370.453	2.259	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1	ZINC000246934966	549246126	/nfs/dbraw/zinc/24/61/26/549246126.db2.gz	GRNBZAQDQCBWMP-MAUKXSAKSA-N	1	1	357.454	2.133	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc(C#N)cn2C)[C@@H]1c1ccccc1	ZINC000488967747	561400511	/nfs/dbraw/zinc/40/05/11/561400511.db2.gz	FNEGDMPRKMBEIL-OALUTQOASA-N	1	1	352.438	2.089	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](CNC(=O)c2cc(C#N)cn2C)[C@@H]1c1ccccc1	ZINC000488967747	561400512	/nfs/dbraw/zinc/40/05/12/561400512.db2.gz	FNEGDMPRKMBEIL-OALUTQOASA-N	1	1	352.438	2.089	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cnc(C)c(C#N)c2)C1	ZINC000489248582	561406469	/nfs/dbraw/zinc/40/64/69/561406469.db2.gz	GXZGJXGFOWFNKR-OAHLLOKOSA-N	1	1	364.515	2.441	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC[C@H]21	ZINC000248395067	549426806	/nfs/dbraw/zinc/42/68/06/549426806.db2.gz	OBRBUGPQQNDROB-DOTOQJQBSA-N	1	1	365.441	2.087	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1C#N	ZINC000248529903	549453733	/nfs/dbraw/zinc/45/37/33/549453733.db2.gz	DWKJIAQGTWSKOI-JKSUJKDBSA-N	1	1	370.453	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1C#N	ZINC000248529903	549453735	/nfs/dbraw/zinc/45/37/35/549453735.db2.gz	DWKJIAQGTWSKOI-JKSUJKDBSA-N	1	1	370.453	2.259	20	30		FEEDMO
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248707159	549488602	/nfs/dbraw/zinc/48/86/02/549488602.db2.gz	AWAIYFRPMKCCIQ-NQYYFHDYSA-N	1	1	367.449	2.327	20	30		FEEDMO
COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000248707159	549488606	/nfs/dbraw/zinc/48/86/06/549488606.db2.gz	AWAIYFRPMKCCIQ-NQYYFHDYSA-N	1	1	367.449	2.327	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000248786387	549501476	/nfs/dbraw/zinc/50/14/76/549501476.db2.gz	YYXLNRKPCINHKZ-RHSMWYFYSA-N	1	1	354.454	2.123	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000248786387	549501479	/nfs/dbraw/zinc/50/14/79/549501479.db2.gz	YYXLNRKPCINHKZ-RHSMWYFYSA-N	1	1	354.454	2.123	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccccc1C#N	ZINC000248794348	549503685	/nfs/dbraw/zinc/50/36/85/549503685.db2.gz	JCGOZZXGFBFPEN-CRAIPNDOSA-N	1	1	355.463	2.357	20	30		FEEDMO
Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)n1	ZINC000249687484	549615135	/nfs/dbraw/zinc/61/51/35/549615135.db2.gz	RPKULIOJRSUVOI-OXQOHEQNSA-N	1	1	371.485	2.095	20	30		FEEDMO
Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)n1	ZINC000249687484	549615138	/nfs/dbraw/zinc/61/51/38/549615138.db2.gz	RPKULIOJRSUVOI-OXQOHEQNSA-N	1	1	371.485	2.095	20	30		FEEDMO
C[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nc(-c2cccnc2)no1	ZINC000489872492	561421094	/nfs/dbraw/zinc/42/10/94/561421094.db2.gz	FMWSDJDQRJPORR-UHFFFAOYSA-N	1	1	362.393	2.464	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1nc(-c2cccnc2)no1	ZINC000489872492	561421095	/nfs/dbraw/zinc/42/10/95/561421095.db2.gz	FMWSDJDQRJPORR-UHFFFAOYSA-N	1	1	362.393	2.464	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)COc3cccnc3)CC2)cc1	ZINC000263743186	549929522	/nfs/dbraw/zinc/92/95/22/549929522.db2.gz	ALCVHGITIQYBHQ-UHFFFAOYSA-N	1	1	350.422	2.067	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3cccnc3)CC2)cc1	ZINC000263743186	549929524	/nfs/dbraw/zinc/92/95/24/549929524.db2.gz	ALCVHGITIQYBHQ-UHFFFAOYSA-N	1	1	350.422	2.067	20	30		FEEDMO
N#CC1(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CCCC1	ZINC000264440092	549995953	/nfs/dbraw/zinc/99/59/53/549995953.db2.gz	AGBKMOAZWIVZRP-SFHVURJKSA-N	1	1	368.481	2.084	20	30		FEEDMO
COCCOC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000265354490	550008715	/nfs/dbraw/zinc/00/87/15/550008715.db2.gz	USBXEBSMGSSBAN-QGZVFWFLSA-N	1	1	359.470	2.449	20	30		FEEDMO
C=C(Cl)CNC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000265626507	550012569	/nfs/dbraw/zinc/01/25/69/550012569.db2.gz	GCCFEEQSUYGXRG-OKILXGFUSA-N	1	1	365.861	2.103	20	30		FEEDMO
C=C(Cl)CNC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000265626507	550012571	/nfs/dbraw/zinc/01/25/71/550012571.db2.gz	GCCFEEQSUYGXRG-OKILXGFUSA-N	1	1	365.861	2.103	20	30		FEEDMO
C#CCOc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1	ZINC000266471551	550021115	/nfs/dbraw/zinc/02/11/15/550021115.db2.gz	VASDHTYTBQGFNQ-UHFFFAOYSA-N	1	1	358.486	2.188	20	30		FEEDMO
C#CCOc1cccc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1	ZINC000266471551	550021118	/nfs/dbraw/zinc/02/11/18/550021118.db2.gz	VASDHTYTBQGFNQ-UHFFFAOYSA-N	1	1	358.486	2.188	20	30		FEEDMO
COCCOC[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000266622401	550022076	/nfs/dbraw/zinc/02/20/76/550022076.db2.gz	LNXQVVOYTNERDN-ROUUACIJSA-N	1	1	359.470	2.307	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000268235067	550037957	/nfs/dbraw/zinc/03/79/57/550037957.db2.gz	ZGCYQTURXJMCPL-XJKSGUPXSA-N	1	1	372.494	2.230	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](CCOCCOC)Cc1ccccc1	ZINC000268366985	550055104	/nfs/dbraw/zinc/05/51/04/550055104.db2.gz	VEUUFBVVKNHTAD-GOSISDBHSA-N	1	1	361.486	2.160	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CCOCCOC)Cc1ccccc1	ZINC000268366985	550055105	/nfs/dbraw/zinc/05/51/05/550055105.db2.gz	VEUUFBVVKNHTAD-GOSISDBHSA-N	1	1	361.486	2.160	20	30		FEEDMO
CC1(C2CC[NH+](CC(=O)N(CCC#N)c3ccccc3)CC2)OCCO1	ZINC000268477279	550072828	/nfs/dbraw/zinc/07/28/28/550072828.db2.gz	NVOCRBJJJCIFPF-UHFFFAOYSA-N	1	1	357.454	2.408	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000269060991	550150240	/nfs/dbraw/zinc/15/02/40/550150240.db2.gz	BGSQMNXBXOHNNZ-CQSZACIVSA-N	1	1	362.861	2.387	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1OC	ZINC000269472257	550199625	/nfs/dbraw/zinc/19/96/25/550199625.db2.gz	LGWJACUUDJJIEK-INIZCTEOSA-N	1	1	368.499	2.021	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1	ZINC000269611847	550210685	/nfs/dbraw/zinc/21/06/85/550210685.db2.gz	YQOLJEHFMZWQPD-KDOFPFPSSA-N	1	1	370.428	2.111	20	30		FEEDMO
CC(C)[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+]1CCOCC1	ZINC000269620881	550211384	/nfs/dbraw/zinc/21/13/84/550211384.db2.gz	CTDRINSPBXCKHI-SFHVURJKSA-N	1	1	356.470	2.203	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)NC2(c3cccc(C#N)c3)CC2)CC1	ZINC000269687852	550216873	/nfs/dbraw/zinc/21/68/73/550216873.db2.gz	NVTZIMBBJZQFBE-UHFFFAOYSA-N	1	1	369.513	2.264	20	30		FEEDMO
C=C(C)[C@H](CC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1)OCC	ZINC000270049555	550245720	/nfs/dbraw/zinc/24/57/20/550245720.db2.gz	QWGZLRDGKFBCJP-FQEVSTJZSA-N	1	1	359.514	2.422	20	30		FEEDMO
C=C(C)[C@H](CC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1)OCC	ZINC000270233610	550255459	/nfs/dbraw/zinc/25/54/59/550255459.db2.gz	VPDHOGQAUIPETC-IBGZPJMESA-N	1	1	373.497	2.313	20	30		FEEDMO
N#Cc1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1	ZINC000270572734	550284779	/nfs/dbraw/zinc/28/47/79/550284779.db2.gz	BUPDJVMQBKEWNS-NHCUHLMSSA-N	1	1	363.461	2.100	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(c3ccc(C#N)cn3)CC2)C1	ZINC000271161215	550347121	/nfs/dbraw/zinc/34/71/21/550347121.db2.gz	QCCCYOWVPKYBKT-MRXNPFEDSA-N	1	1	357.458	2.085	20	30		FEEDMO
C[C@@H](CCO)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccccc1	ZINC000271382481	550370749	/nfs/dbraw/zinc/37/07/49/550370749.db2.gz	ILCSFFOATBPWCQ-KRWDZBQOSA-N	1	1	351.450	2.448	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(C(=O)N3CCSC[C@@H]3C#N)CC2)cs1	ZINC000271721687	550397410	/nfs/dbraw/zinc/39/74/10/550397410.db2.gz	LBWCSADXJFDHLM-HNNXBMFYSA-N	1	1	350.513	2.131	20	30		FEEDMO
CCC[C@H]1CN(C(=O)Nc2cc(C)n(CCC#N)n2)CC[N@H+]1CCOC	ZINC000272041137	550418617	/nfs/dbraw/zinc/41/86/17/550418617.db2.gz	FVOJSCYNYFZRAD-INIZCTEOSA-N	1	1	362.478	2.070	20	30		FEEDMO
N#Cc1ccc(/C=C/C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000273135082	550486790	/nfs/dbraw/zinc/48/67/90/550486790.db2.gz	SGTXPCUSWMAWDP-LCCNJJIFSA-N	1	1	361.445	2.454	20	30		FEEDMO
N#Cc1cccc(CN2C(=O)N[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)c1	ZINC000274277044	550530934	/nfs/dbraw/zinc/53/09/34/550530934.db2.gz	AKKXLHMGXGOWEK-NRFANRHFSA-N	1	1	360.417	2.255	20	30		FEEDMO
C=CC[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1	ZINC000275351364	550572030	/nfs/dbraw/zinc/57/20/30/550572030.db2.gz	SEIAKFQZIYYSOF-RBUKOAKNSA-N	1	1	357.498	2.405	20	30		FEEDMO
CC[C@](C)(O)C[N@@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccccc1	ZINC000275900348	550575167	/nfs/dbraw/zinc/57/51/67/550575167.db2.gz	RNIWQILIUIILTR-FQEVSTJZSA-N	1	1	356.470	2.306	20	30		FEEDMO
COc1cc(/C=C/C(=O)NC[C@@H]2CCc3[nH+]ccn3C2)ccc1OCC#N	ZINC000276337968	550578313	/nfs/dbraw/zinc/57/83/13/550578313.db2.gz	QGKADMPZXMREJU-RRGWEWPQSA-N	1	1	366.421	2.186	20	30		FEEDMO
CCOC(CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+])OCC	ZINC000276426866	550578563	/nfs/dbraw/zinc/57/85/63/550578563.db2.gz	YDTUMPCIOCFAQV-UHFFFAOYSA-N	1	1	372.469	2.435	20	30		FEEDMO
N#Cc1ncccc1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000277028700	550623596	/nfs/dbraw/zinc/62/35/96/550623596.db2.gz	NUKNSKFNLHKRFN-KRWDZBQOSA-N	1	1	356.451	2.069	20	30		FEEDMO
COCCO[C@@H]1C[C@H](CO)C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000278275813	550767936	/nfs/dbraw/zinc/76/79/36/550767936.db2.gz	JPKCNJMXJPAVKZ-FUHWJXTLSA-N	1	1	371.399	2.403	20	30		FEEDMO
COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000278275813	550767938	/nfs/dbraw/zinc/76/79/38/550767938.db2.gz	JPKCNJMXJPAVKZ-FUHWJXTLSA-N	1	1	371.399	2.403	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1	ZINC000278876929	550831556	/nfs/dbraw/zinc/83/15/56/550831556.db2.gz	MQPUARQKIGHWEV-UWJYYQICSA-N	1	1	368.481	2.151	20	30		FEEDMO
C=CCOc1cccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1	ZINC000279377903	550883395	/nfs/dbraw/zinc/88/33/95/550883395.db2.gz	ITHNWMAZHKXHHG-QGZVFWFLSA-N	1	1	350.484	2.251	20	30		FEEDMO
C=CCOc1cccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1	ZINC000279377903	550883397	/nfs/dbraw/zinc/88/33/97/550883397.db2.gz	ITHNWMAZHKXHHG-QGZVFWFLSA-N	1	1	350.484	2.251	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](C)Cn1cc[nH+]c1C	ZINC000495578360	561489582	/nfs/dbraw/zinc/48/95/82/561489582.db2.gz	ANMCQGBCHHBPTE-CQSZACIVSA-N	1	1	356.474	2.304	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](CC(N)=O)c1ccccc1	ZINC000280648743	551017137	/nfs/dbraw/zinc/01/71/37/551017137.db2.gz	YWUURIPONSKNSI-KRWDZBQOSA-N	1	1	353.422	2.494	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2cc(C)ccc2Cl)C1=O	ZINC000281310678	551083425	/nfs/dbraw/zinc/08/34/25/551083425.db2.gz	KPCPNNOWFCROHD-HOCLYGCPSA-N	1	1	352.862	2.107	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCOc2ccc(C#N)cc2OC)O1	ZINC000282398035	551222960	/nfs/dbraw/zinc/22/29/60/551222960.db2.gz	HKJPBIFGVBVXRO-PSLQGDIJSA-N	1	1	374.437	2.129	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CCOc2ccc(C#N)cc2OC)O1	ZINC000282398035	551222961	/nfs/dbraw/zinc/22/29/61/551222961.db2.gz	HKJPBIFGVBVXRO-PSLQGDIJSA-N	1	1	374.437	2.129	20	30		FEEDMO
C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000283228047	551332390	/nfs/dbraw/zinc/33/23/90/551332390.db2.gz	JRGGTWPBGMIPDL-KRWDZBQOSA-N	1	1	368.485	2.075	20	30		FEEDMO
C=CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000283414763	551362507	/nfs/dbraw/zinc/36/25/07/551362507.db2.gz	GFUORXTVRRRZMZ-INIZCTEOSA-N	1	1	357.458	2.191	20	30		FEEDMO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000283478696	551373525	/nfs/dbraw/zinc/37/35/25/551373525.db2.gz	BWJWTTOHGCNIMB-QGZVFWFLSA-N	1	1	374.533	2.258	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1	ZINC000284404299	551542388	/nfs/dbraw/zinc/54/23/88/551542388.db2.gz	ZXHAEXUADCDNOS-UHFFFAOYSA-N	1	1	365.424	2.080	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)Nc2ccc(C#N)cc2)CCC[N@H+]1C	ZINC000284821062	551642633	/nfs/dbraw/zinc/64/26/33/551642633.db2.gz	UVPFHPFUWKNZDK-MAUKXSAKSA-N	1	1	352.442	2.496	20	30		FEEDMO
CCOc1ccc(O)c(/C=N\C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1	ZINC000285290691	551732689	/nfs/dbraw/zinc/73/26/89/551732689.db2.gz	IVXRVWLEHASKQJ-PEEGHXIXSA-N	1	1	359.470	2.293	20	30		FEEDMO
C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc(C#N)cc1	ZINC000285361327	551744016	/nfs/dbraw/zinc/74/40/16/551744016.db2.gz	QHTZIIMBMQBKSD-KRWDZBQOSA-N	1	1	355.394	2.381	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)CC(=O)NCc1ccc(C#N)cc1	ZINC000285526453	551770002	/nfs/dbraw/zinc/77/00/02/551770002.db2.gz	FDGYOVJVECKYGC-UHFFFAOYSA-N	1	1	354.454	2.221	20	30		FEEDMO
CN(CCC[N@H+](C)CC(=O)NCc1ccc(C#N)cc1)Cc1ccco1	ZINC000285526453	551770004	/nfs/dbraw/zinc/77/00/04/551770004.db2.gz	FDGYOVJVECKYGC-UHFFFAOYSA-N	1	1	354.454	2.221	20	30		FEEDMO
CN(CCC[N@@H+](C)CC(=O)NCc1ccc(C#N)cc1)Cc1ccco1	ZINC000285526453	551770007	/nfs/dbraw/zinc/77/00/07/551770007.db2.gz	FDGYOVJVECKYGC-UHFFFAOYSA-N	1	1	354.454	2.221	20	30		FEEDMO
CC(C)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCN(C)CC1	ZINC000285547521	551773162	/nfs/dbraw/zinc/77/31/62/551773162.db2.gz	GIJKEQRGPHRUAJ-QFIPXVFZSA-N	1	1	369.557	2.389	20	30		FEEDMO
CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCC[N@@H+](C)C1	ZINC000285570021	551776155	/nfs/dbraw/zinc/77/61/55/551776155.db2.gz	HPXVVSCBMOQKMI-QGZVFWFLSA-N	1	1	358.461	2.466	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1	ZINC000285722982	551801251	/nfs/dbraw/zinc/80/12/51/551801251.db2.gz	DKNAXRTVLXOIPH-HXUWFJFHSA-N	1	1	371.525	2.480	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)C2)c(F)c1	ZINC000286321528	551873840	/nfs/dbraw/zinc/87/38/40/551873840.db2.gz	HNYJPKLATMMRCI-IEZWGBDMSA-N	1	1	356.445	2.267	20	30		FEEDMO
CC[C@H](C)[N@@H+](CCO)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000287233657	551979555	/nfs/dbraw/zinc/97/95/55/551979555.db2.gz	GAZJMFJZIRSEHL-AWEZNQCLSA-N	1	1	356.388	2.266	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(C#N)c1C	ZINC000287285663	551985406	/nfs/dbraw/zinc/98/54/06/551985406.db2.gz	IIWSSZILGWMLBB-UKRRQHHQSA-N	1	1	358.442	2.039	20	30		FEEDMO
Cc1oc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(C#N)c1C	ZINC000287285663	551985407	/nfs/dbraw/zinc/98/54/07/551985407.db2.gz	IIWSSZILGWMLBB-UKRRQHHQSA-N	1	1	358.442	2.039	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1Cl	ZINC000287597726	552023458	/nfs/dbraw/zinc/02/34/58/552023458.db2.gz	YOLXMCXGPNGREU-AWEZNQCLSA-N	1	1	360.845	2.094	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1Cl	ZINC000287597726	552023460	/nfs/dbraw/zinc/02/34/60/552023460.db2.gz	YOLXMCXGPNGREU-AWEZNQCLSA-N	1	1	360.845	2.094	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1	ZINC000288134328	552097215	/nfs/dbraw/zinc/09/72/15/552097215.db2.gz	LAZMPRMPETVTKK-HXUWFJFHSA-N	1	1	370.541	2.288	20	30		FEEDMO
C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1	ZINC000288134328	552097216	/nfs/dbraw/zinc/09/72/16/552097216.db2.gz	LAZMPRMPETVTKK-HXUWFJFHSA-N	1	1	370.541	2.288	20	30		FEEDMO
C=CCN1CC[C@H]([NH2+][C@H](CCO)c2ccccc2Br)C1=O	ZINC000499624230	561554892	/nfs/dbraw/zinc/55/48/92/561554892.db2.gz	ISODAPUSLAGZFN-CABCVRRESA-N	1	1	353.260	2.249	20	30		FEEDMO
C=CCn1c(=O)c2ccc(C(=O)N3CC[N@@H+](CC)C[C@@H]3C)cc2[n-]c1=S	ZINC000288401724	552147318	/nfs/dbraw/zinc/14/73/18/552147318.db2.gz	LFWGYBLGFLYCTI-ZDUSSCGKSA-N	1	1	372.494	2.037	20	30		FEEDMO
C=CCn1c(=O)c2ccc(C(=O)N3CC[N@H+](CC)C[C@@H]3C)cc2[n-]c1=S	ZINC000288401724	552147319	/nfs/dbraw/zinc/14/73/19/552147319.db2.gz	LFWGYBLGFLYCTI-ZDUSSCGKSA-N	1	1	372.494	2.037	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000288476206	552159881	/nfs/dbraw/zinc/15/98/81/552159881.db2.gz	PAVWNNCTXUAVMP-DJIMGWMZSA-N	1	1	356.445	2.219	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1=O	ZINC000499964094	561563100	/nfs/dbraw/zinc/56/31/00/561563100.db2.gz	LGKUQTFMTNJUAL-PKOBYXMFSA-N	1	1	360.498	2.443	20	30		FEEDMO
N#Cc1cc(-c2nc(-c3ccccc3C[N@@H+]3CCC[C@H]3C(N)=O)no2)ccn1	ZINC000289114861	552268302	/nfs/dbraw/zinc/26/83/02/552268302.db2.gz	QPCCZSKXDBOQDQ-KRWDZBQOSA-N	1	1	374.404	2.120	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1	ZINC000289209704	552283425	/nfs/dbraw/zinc/28/34/25/552283425.db2.gz	BWGUSDAISSNBNJ-INIZCTEOSA-N	1	1	368.481	2.063	20	30		FEEDMO
CS(=O)(=O)c1ccc(F)c(C[NH2+]Cc2cnc3ccc(C#N)cn23)c1	ZINC000500377331	561571052	/nfs/dbraw/zinc/57/10/52/561571052.db2.gz	OKFCDMNVNHKIIL-UHFFFAOYSA-N	1	1	358.398	2.038	20	30		FEEDMO
C[C@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1	ZINC000289422231	552318841	/nfs/dbraw/zinc/31/88/41/552318841.db2.gz	HYRXADXSPXFLHO-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000289422231	552318843	/nfs/dbraw/zinc/31/88/43/552318843.db2.gz	HYRXADXSPXFLHO-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CC(C)(C)C#N)cc2)CC1	ZINC000500496544	561575087	/nfs/dbraw/zinc/57/50/87/561575087.db2.gz	ZVYKDFFWPDTHRX-UHFFFAOYSA-N	1	1	356.470	2.272	20	30		FEEDMO
C=CCn1c([C@H](C)CC)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1	ZINC000289830679	552385295	/nfs/dbraw/zinc/38/52/95/552385295.db2.gz	WUWQETDWMBVNOO-QGZVFWFLSA-N	1	1	374.533	2.112	20	30		FEEDMO
C=CCn1c([C@H](C)CC)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1	ZINC000289830679	552385296	/nfs/dbraw/zinc/38/52/96/552385296.db2.gz	WUWQETDWMBVNOO-QGZVFWFLSA-N	1	1	374.533	2.112	20	30		FEEDMO
C=CCn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1	ZINC000289857024	552389755	/nfs/dbraw/zinc/38/97/55/552389755.db2.gz	YIYKIPCNYUBPCU-UHFFFAOYSA-N	1	1	360.506	2.057	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C	ZINC000290052390	552420134	/nfs/dbraw/zinc/42/01/34/552420134.db2.gz	BEUADDKKXLLRSQ-BFYDXBDKSA-N	1	1	358.442	2.304	20	30		FEEDMO
C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000290288104	552454581	/nfs/dbraw/zinc/45/45/81/552454581.db2.gz	ASIZVHQHBSUVLA-FGZHOGPDSA-N	1	1	362.473	2.210	20	30		FEEDMO
C=CCn1c(CN2CC[NH+](Cc3ccc(C)cc3)CC2)nnc1N(C)OC	ZINC000290570382	552500051	/nfs/dbraw/zinc/50/00/51/552500051.db2.gz	ZWBKZBYTVPOERL-UHFFFAOYSA-N	1	1	370.501	2.088	20	30		FEEDMO
C=C[C@@H](CO)Nc1nc(C[NH+](C)C)nc2sc(C(=O)OCC)c(C)c21	ZINC000291219085	552601806	/nfs/dbraw/zinc/60/18/06/552601806.db2.gz	VVNQPYMNBDOHJM-NSHDSACASA-N	1	1	364.471	2.197	20	30		FEEDMO
CC[C@@H](NC(=O)c1cc(C#N)ccn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000501290922	561594400	/nfs/dbraw/zinc/59/44/00/561594400.db2.gz	RZUDPLMAYFLCAR-QUCCMNQESA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@@H](NC(=O)c1cc(C#N)ccn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000501290922	561594401	/nfs/dbraw/zinc/59/44/01/561594401.db2.gz	RZUDPLMAYFLCAR-QUCCMNQESA-N	1	1	364.449	2.363	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1	ZINC000291755212	552658682	/nfs/dbraw/zinc/65/86/82/552658682.db2.gz	KTROCJXKTAIMTF-RTWAWAEBSA-N	1	1	357.498	2.358	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1	ZINC000291755212	552658683	/nfs/dbraw/zinc/65/86/83/552658683.db2.gz	KTROCJXKTAIMTF-RTWAWAEBSA-N	1	1	357.498	2.358	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](n3cccn3)C2)c(OC)c1	ZINC000292014065	552684771	/nfs/dbraw/zinc/68/47/71/552684771.db2.gz	XXUXJAWFWXBIMH-ZWKOTPCHSA-N	1	1	357.454	2.307	20	30		FEEDMO
Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292120139	552695733	/nfs/dbraw/zinc/69/57/33/552695733.db2.gz	HYMFROAUDQCIIK-IEBWSBKVSA-N	1	1	353.422	2.155	20	30		FEEDMO
C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292158053	552699638	/nfs/dbraw/zinc/69/96/38/552699638.db2.gz	KRGRLWLBINJWKL-ZBFHGGJFSA-N	1	1	370.478	2.215	20	30		FEEDMO
C[C@H](C(=O)NCCc1cccs1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292158053	552699640	/nfs/dbraw/zinc/69/96/40/552699640.db2.gz	KRGRLWLBINJWKL-ZBFHGGJFSA-N	1	1	370.478	2.215	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)nc1	ZINC000292212489	552705280	/nfs/dbraw/zinc/70/52/80/552705280.db2.gz	OLZRAKQGEXOOMM-KRWDZBQOSA-N	1	1	361.405	2.307	20	30		FEEDMO
CCOc1ccc(NC(=O)CN2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1	ZINC000292833390	552762951	/nfs/dbraw/zinc/76/29/51/552762951.db2.gz	PABFXOAMINRBJO-AEFFLSMTSA-N	1	1	356.470	2.334	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](O)Cc1ccccc1	ZINC000293408982	552820522	/nfs/dbraw/zinc/82/05/22/552820522.db2.gz	RWWCFDQFAMZQBO-FQEVSTJZSA-N	1	1	351.450	2.469	20	30		FEEDMO
C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C[C@@H](O)Cc1ccccc1	ZINC000293408982	552820523	/nfs/dbraw/zinc/82/05/23/552820523.db2.gz	RWWCFDQFAMZQBO-FQEVSTJZSA-N	1	1	351.450	2.469	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)C[C@H](C)[N@H+]1C	ZINC000293409951	552820544	/nfs/dbraw/zinc/82/05/44/552820544.db2.gz	HHECGBWKRXBIIX-OKILXGFUSA-N	1	1	360.483	2.182	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2SCCC#N)C[C@H](C)[N@@H+]1C	ZINC000293409951	552820545	/nfs/dbraw/zinc/82/05/45/552820545.db2.gz	HHECGBWKRXBIIX-OKILXGFUSA-N	1	1	360.483	2.182	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(-c2ccncc2)ccc1C	ZINC000293529592	552832645	/nfs/dbraw/zinc/83/26/45/552832645.db2.gz	ZTTLMAUXEDUMHI-UHFFFAOYSA-N	1	1	364.449	2.067	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)Nc1sccc1C#N	ZINC000293701813	552848475	/nfs/dbraw/zinc/84/84/75/552848475.db2.gz	MDWOJCDUVYXOSU-UHFFFAOYSA-N	1	1	360.439	2.132	20	30		FEEDMO
C#CCNC(=O)CC[N@H+](CCCn1ccnc1)Cc1ccc(OCC)cc1	ZINC000293755682	552853158	/nfs/dbraw/zinc/85/31/58/552853158.db2.gz	JKZOGEXLAFDWRP-UHFFFAOYSA-N	1	1	368.481	2.314	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1	ZINC000293953164	552870291	/nfs/dbraw/zinc/87/02/91/552870291.db2.gz	KFJZMXLIQDAIOR-UHFFFAOYSA-N	1	1	353.253	2.255	20	30		FEEDMO
C[C@H]1C[N@H+](CCN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCO1	ZINC000501849275	561606500	/nfs/dbraw/zinc/60/65/00/561606500.db2.gz	INPKEFWGHMPCJB-LPHOPBHVSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@H]1C[N@@H+](CCN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCO1	ZINC000501849275	561606501	/nfs/dbraw/zinc/60/65/01/561606501.db2.gz	INPKEFWGHMPCJB-LPHOPBHVSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@H]1CN(CC[NH+]2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCO1	ZINC000501849275	561606502	/nfs/dbraw/zinc/60/65/02/561606502.db2.gz	INPKEFWGHMPCJB-LPHOPBHVSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000295065851	552955293	/nfs/dbraw/zinc/95/52/93/552955293.db2.gz	ABTMXJJTQHQNQN-YQQAZPJKSA-N	1	1	362.433	2.166	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000295065851	552955295	/nfs/dbraw/zinc/95/52/95/552955295.db2.gz	ABTMXJJTQHQNQN-YQQAZPJKSA-N	1	1	362.433	2.166	20	30		FEEDMO
C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)CC(C)(C)CC#N)CC1	ZINC000295160343	552964781	/nfs/dbraw/zinc/96/47/81/552964781.db2.gz	NATYPARHPZOZAS-OAHLLOKOSA-N	1	1	364.515	2.466	20	30		FEEDMO
COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cc(C#N)ccc2Br)C1	ZINC000295221977	552971110	/nfs/dbraw/zinc/97/11/10/552971110.db2.gz	VUKRKGPWVNPYTB-MRXNPFEDSA-N	1	1	367.243	2.332	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000295545695	553023553	/nfs/dbraw/zinc/02/35/53/553023553.db2.gz	JWOOQWJFGAHMHX-HYVNUMGLSA-N	1	1	362.433	2.166	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000295545695	553023556	/nfs/dbraw/zinc/02/35/56/553023556.db2.gz	JWOOQWJFGAHMHX-HYVNUMGLSA-N	1	1	362.433	2.166	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1	ZINC000295735197	553052260	/nfs/dbraw/zinc/05/22/60/553052260.db2.gz	WHNABQPFYPMDJI-HUUCEWRRSA-N	1	1	356.470	2.499	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1	ZINC000295735197	553052263	/nfs/dbraw/zinc/05/22/63/553052263.db2.gz	WHNABQPFYPMDJI-HUUCEWRRSA-N	1	1	356.470	2.499	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCc1coc(-c2ccc(F)cc2)n1	ZINC000297615649	553316185	/nfs/dbraw/zinc/31/61/85/553316185.db2.gz	KBNMFQSHHIDCJA-UHFFFAOYSA-N	1	1	358.417	2.278	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1	ZINC000298131831	553388307	/nfs/dbraw/zinc/38/83/07/553388307.db2.gz	XIRTXGIJWZZIBU-IBGZPJMESA-N	1	1	357.498	2.392	20	30		FEEDMO
Cc1cccc(NCCNS(=O)(=O)c2ccc(C#N)cc2Cl)[nH+]1	ZINC000503432440	561641152	/nfs/dbraw/zinc/64/11/52/561641152.db2.gz	JTGZCBNBKUPPTB-UHFFFAOYSA-N	1	1	350.831	2.306	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000298497145	553432607	/nfs/dbraw/zinc/43/26/07/553432607.db2.gz	MMFVHQMEAIRVPP-IRXDYDNUSA-N	1	1	357.454	2.469	20	30		FEEDMO
N#Cc1cccc(CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1	ZINC000299021232	553504512	/nfs/dbraw/zinc/50/45/12/553504512.db2.gz	MQIOOBXLEPUNTK-UHFFFAOYSA-N	1	1	364.449	2.390	20	30		FEEDMO
N#Cc1cccc(NC(=O)C2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)c1	ZINC000299642293	553594525	/nfs/dbraw/zinc/59/45/25/553594525.db2.gz	NOTFRGJOJPKJDL-IBGZPJMESA-N	1	1	362.433	2.435	20	30		FEEDMO
C[N@@H+](CCCNc1ccc(S(N)(=O)=O)cc1C#N)C1CCCCC1	ZINC000301352022	553644451	/nfs/dbraw/zinc/64/44/51/553644451.db2.gz	NAXWSYNUQGIRFF-UHFFFAOYSA-N	1	1	350.488	2.272	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCCNc1ccc(S(N)(=O)=O)cc1C#N	ZINC000301357866	553645129	/nfs/dbraw/zinc/64/51/29/553645129.db2.gz	LAIWQAYTRASIDL-AWEZNQCLSA-N	1	1	350.488	2.272	20	30		FEEDMO
C[C@H](CNc1ccc(S(N)(=O)=O)cc1C#N)[N@H+]1CCc2ccccc2C1	ZINC000301364861	553645482	/nfs/dbraw/zinc/64/54/82/553645482.db2.gz	RUCVFQRPQFYQTB-CQSZACIVSA-N	1	1	370.478	2.064	20	30		FEEDMO
N#Cc1cc(F)ccc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1	ZINC000301395966	553648786	/nfs/dbraw/zinc/64/87/86/553648786.db2.gz	FSRJNRBTGIISIM-SFHVURJKSA-N	1	1	355.413	2.259	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N=c1[nH]n(C)cc1C#N	ZINC000602881977	553659007	/nfs/dbraw/zinc/65/90/07/553659007.db2.gz	MYGIOLUAMMVGRT-PBHICJAKSA-N	1	1	352.442	2.181	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N=c1[nH]n(C)cc1C#N	ZINC000602881977	553659009	/nfs/dbraw/zinc/65/90/09/553659009.db2.gz	MYGIOLUAMMVGRT-PBHICJAKSA-N	1	1	352.442	2.181	20	30		FEEDMO
C[C@H]1[C@@H](NS(=O)(=O)c2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1	ZINC000310790568	553754393	/nfs/dbraw/zinc/75/43/93/553754393.db2.gz	QQIBVINPJMZYRF-KXBFYZLASA-N	1	1	355.463	2.500	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+](Cc2ccccc2)C1	ZINC000324210926	553771507	/nfs/dbraw/zinc/77/15/07/553771507.db2.gz	XNNLNYKFHIGTHK-INIZCTEOSA-N	1	1	370.478	2.096	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+](Cc2ccccc2)C1	ZINC000324210926	553771509	/nfs/dbraw/zinc/77/15/09/553771509.db2.gz	XNNLNYKFHIGTHK-INIZCTEOSA-N	1	1	370.478	2.096	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1	ZINC000327624612	553790010	/nfs/dbraw/zinc/79/00/10/553790010.db2.gz	OCLYEGPCMKHZPN-GDBMZVCRSA-N	1	1	358.360	2.077	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1	ZINC000328255222	553793560	/nfs/dbraw/zinc/79/35/60/553793560.db2.gz	CDPZBGQIKPDYCD-IPMKNSEASA-N	1	1	362.495	2.347	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1	ZINC000328255222	553793562	/nfs/dbraw/zinc/79/35/62/553793562.db2.gz	CDPZBGQIKPDYCD-IPMKNSEASA-N	1	1	362.495	2.347	20	30		FEEDMO
CC[C@@]1(C)CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCO1	ZINC000328623463	553797713	/nfs/dbraw/zinc/79/77/13/553797713.db2.gz	YWHMPQLTOKLLKC-FQEVSTJZSA-N	1	1	361.486	2.434	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O	ZINC000328660343	553803627	/nfs/dbraw/zinc/80/36/27/553803627.db2.gz	VFMOJBCONLAQFA-CJNGLKHVSA-N	1	1	371.437	2.004	20	30		FEEDMO
C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1	ZINC000328709907	553810593	/nfs/dbraw/zinc/81/05/93/553810593.db2.gz	BNBTYKBYGAKUTN-SFHVURJKSA-N	1	1	369.517	2.390	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1C	ZINC000328720168	553812321	/nfs/dbraw/zinc/81/23/21/553812321.db2.gz	GPQUDURWFJTFBY-KGLIPLIRSA-N	1	1	359.474	2.012	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN(C3CC3)C(=O)C2)C1	ZINC000328723708	553812511	/nfs/dbraw/zinc/81/25/11/553812511.db2.gz	SJSCRSIXVWHTOH-NVXWUHKLSA-N	1	1	356.470	2.043	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)c3cn4c(n3)CCCC4)cc2)CC1	ZINC000328734151	553814186	/nfs/dbraw/zinc/81/41/86/553814186.db2.gz	YKOZGYYRXSOMAU-UHFFFAOYSA-N	1	1	367.497	2.472	20	30		FEEDMO
C[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](C)C1	ZINC000505786466	561680841	/nfs/dbraw/zinc/68/08/41/561680841.db2.gz	AOKNVVABLOWKRG-SPYBWZPUSA-N	1	1	351.491	2.485	20	30		FEEDMO
CCS(=O)(=O)N1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1	ZINC000328772848	553820144	/nfs/dbraw/zinc/82/01/44/553820144.db2.gz	BIYHYCGHZMZUQH-MRXNPFEDSA-N	1	1	357.520	2.164	20	30		FEEDMO
O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[C@H]1CCc2c[nH]nc2C1	ZINC000328814979	553826558	/nfs/dbraw/zinc/82/65/58/553826558.db2.gz	CGTWQYDQSGPGTK-SZMVWBNQSA-N	1	1	354.454	2.107	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)[C@@H]2[C@@H](C)OCC(=O)N2Cc2ccccc2)CC[N@H+]1C	ZINC000328992359	553860453	/nfs/dbraw/zinc/86/04/53/553860453.db2.gz	DMFXRKWTHDJCGE-LFEHRJTNSA-N	1	1	359.470	2.242	20	30		FEEDMO
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000329077132	553876031	/nfs/dbraw/zinc/87/60/31/553876031.db2.gz	PYLVNNMJMOGHIF-QHEDDYRISA-N	1	1	361.490	2.252	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000329097929	553880022	/nfs/dbraw/zinc/88/00/22/553880022.db2.gz	YQQJGWWIWQUAKS-HHNIUTBGSA-N	1	1	365.518	2.432	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCN(C(=O)C2CCCCC2)CC1)[N@@H+](C)C1CC1	ZINC000329126718	553885395	/nfs/dbraw/zinc/88/53/95/553885395.db2.gz	UKFLNGCRDAFJTK-HNNXBMFYSA-N	1	1	350.507	2.108	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)C1	ZINC000329134104	553886247	/nfs/dbraw/zinc/88/62/47/553886247.db2.gz	ZKELYJSKAUFLRG-RTBURBONSA-N	1	1	372.513	2.412	20	30		FEEDMO
Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1	ZINC000329144295	553888616	/nfs/dbraw/zinc/88/86/16/553888616.db2.gz	MVQBJYPSMXBKAZ-PBHICJAKSA-N	1	1	363.506	2.056	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1	ZINC000329175582	553895646	/nfs/dbraw/zinc/89/56/46/553895646.db2.gz	BOKIISOWRUBZIJ-JZXOWHBKSA-N	1	1	361.490	2.161	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)CC[N@H+]1C	ZINC000329195269	553899862	/nfs/dbraw/zinc/89/98/62/553899862.db2.gz	VHIKSNBDLUOQCR-BFYDXBDKSA-N	1	1	350.507	2.249	20	30		FEEDMO
CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)CC1	ZINC000329196276	553900035	/nfs/dbraw/zinc/90/00/35/553900035.db2.gz	VSLNMCICNFOHAC-INIZCTEOSA-N	1	1	350.507	2.250	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1	ZINC000329264236	553913746	/nfs/dbraw/zinc/91/37/46/553913746.db2.gz	BUCPQHYLVAKFDD-NUJGCVRESA-N	1	1	370.497	2.336	20	30		FEEDMO
C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CCCC1)CN1CC[NH+](C)CC1	ZINC000329297563	553920478	/nfs/dbraw/zinc/92/04/78/553920478.db2.gz	PCQSQQFXIPZNBX-AEFFLSMTSA-N	1	1	364.534	2.008	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)C2)c(F)c1	ZINC000329307649	553922811	/nfs/dbraw/zinc/92/28/11/553922811.db2.gz	PTOYSHXUCVRZAK-JKSUJKDBSA-N	1	1	371.460	2.406	20	30		FEEDMO
CC(C)[N@@H+]1CCc2nc(NC(=O)C3CCS(=O)(=O)CC3)sc2C1	ZINC000329312743	553923369	/nfs/dbraw/zinc/92/33/69/553923369.db2.gz	AMILRVCFRKOTRV-UHFFFAOYSA-N	1	1	357.501	2.322	20	30		FEEDMO
CC(C)[N@H+]1CCc2nc(NC(=O)C3CCS(=O)(=O)CC3)sc2C1	ZINC000329312743	553923372	/nfs/dbraw/zinc/92/33/72/553923372.db2.gz	AMILRVCFRKOTRV-UHFFFAOYSA-N	1	1	357.501	2.322	20	30		FEEDMO
C[C@H](NC(=O)N(C)[C@@H]1CCN(c2ccccc2)C1=O)C1=CC[N@@H+](C)CC1	ZINC000329331183	553926400	/nfs/dbraw/zinc/92/64/00/553926400.db2.gz	ZJLXVUKEYDKYDQ-MAUKXSAKSA-N	1	1	356.470	2.288	20	30		FEEDMO
C[NH+]1CCC(C)(CNC(=O)NCC2(N3CCOCC3)CCCCC2)CC1	ZINC000329343627	553929031	/nfs/dbraw/zinc/92/90/31/553929031.db2.gz	QEGRGDADNXNFAN-UHFFFAOYSA-N	1	1	366.550	2.257	20	30		FEEDMO
CC(C)c1noc(-c2ccccc2C(=O)NC[C@H]2C[N@@H+](C)CCN2C)n1	ZINC000329364327	553932958	/nfs/dbraw/zinc/93/29/58/553932958.db2.gz	JNHHRAMZHDQTGR-AWEZNQCLSA-N	1	1	357.458	2.410	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1c2ccccc2nc1C(F)(F)F	ZINC000329380101	553934966	/nfs/dbraw/zinc/93/49/66/553934966.db2.gz	PRUFJYWHGXAUEH-GFCCVEGCSA-N	1	1	369.391	2.257	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]2c2ccnn2C)C1	ZINC000329514759	553960587	/nfs/dbraw/zinc/96/05/87/553960587.db2.gz	YGAGEUKAWJTVQK-SJLPKXTDSA-N	1	1	363.506	2.218	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)C1	ZINC000329538726	553964068	/nfs/dbraw/zinc/96/40/68/553964068.db2.gz	CDLCYNDYEFGGAH-DFGXFYAUSA-N	1	1	366.506	2.231	20	30		FEEDMO
Cc1cc(CNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc(N2CCCC2)[nH+]1	ZINC000329649743	553981853	/nfs/dbraw/zinc/98/18/53/553981853.db2.gz	JQPNJAROIDSILQ-XLIONFOSSA-N	1	1	374.485	2.332	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000329667918	553985014	/nfs/dbraw/zinc/98/50/14/553985014.db2.gz	RTTYVHLRRZXALM-HIFRSBDPSA-N	1	1	374.441	2.476	20	30		FEEDMO
CC(C)N1CC[C@H](NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1=O	ZINC000329715327	553994220	/nfs/dbraw/zinc/99/42/20/553994220.db2.gz	UVPALZVWISRQHI-NJAFHUGGSA-N	1	1	358.486	2.335	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC(=O)N(c2ccccc2F)C1	ZINC000329772941	554003612	/nfs/dbraw/zinc/00/36/12/554003612.db2.gz	LBLGDQICKGIGNV-RBSFLKMASA-N	1	1	360.433	2.014	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1	ZINC000329795539	554007478	/nfs/dbraw/zinc/00/74/78/554007478.db2.gz	DAYUANUEIVIUJN-GASCZTMLSA-N	1	1	372.469	2.428	20	30		FEEDMO
O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000329801130	554008358	/nfs/dbraw/zinc/00/83/58/554008358.db2.gz	YPWRPROXGLIAFJ-HDICACEKSA-N	1	1	369.465	2.178	20	30		FEEDMO
O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2)N1CCC(NC(=O)c2ccccc2)CC1	ZINC000329801130	554008359	/nfs/dbraw/zinc/00/83/59/554008359.db2.gz	YPWRPROXGLIAFJ-HDICACEKSA-N	1	1	369.465	2.178	20	30		FEEDMO
CC[C@@H](CNC(=O)N1CCCN(CC)C(=O)C1)[N@H+]1CCc2ccccc2C1	ZINC000329829288	554014378	/nfs/dbraw/zinc/01/43/78/554014378.db2.gz	DPQPLEJOLSWYFL-IBGZPJMESA-N	1	1	372.513	2.292	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cc2n(n1)CCCO2	ZINC000329879639	554024115	/nfs/dbraw/zinc/02/41/15/554024115.db2.gz	MNCNYMMKCLXGAY-MRXNPFEDSA-N	1	1	369.469	2.181	20	30		FEEDMO
C[NH+]1CCN([C@H](C(=O)N[C@@H]2CCc3c[nH]nc3C2)c2ccccc2)CC1	ZINC000329884707	554024590	/nfs/dbraw/zinc/02/45/90/554024590.db2.gz	STRJAEYKPRZYLA-MJGOQNOKSA-N	1	1	353.470	2.212	20	30		FEEDMO
CN1CCO[C@H](C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1	ZINC000329914205	554030065	/nfs/dbraw/zinc/03/00/65/554030065.db2.gz	XTJDQFJSJQZINU-INIZCTEOSA-N	1	1	353.507	2.087	20	30		FEEDMO
CCO[C@@H]1C[C@@](O)(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1(C)C	ZINC000329948581	554037186	/nfs/dbraw/zinc/03/71/86/554037186.db2.gz	ZFBUXWWLQTWHEJ-MHGNSNQHSA-N	1	1	353.507	2.071	20	30		FEEDMO
O=C(NC[C@@H]1CCc2nccn2C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000329972584	554041589	/nfs/dbraw/zinc/04/15/89/554041589.db2.gz	YFNSVOZHWSTZCN-LZLYRXPVSA-N	1	1	357.502	2.308	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1	ZINC000329975525	554042224	/nfs/dbraw/zinc/04/22/24/554042224.db2.gz	YEHRGJOXRPABAV-VQIMIIECSA-N	1	1	353.507	2.291	20	30		FEEDMO
CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)CCO2)o1	ZINC000329981196	554043369	/nfs/dbraw/zinc/04/33/69/554043369.db2.gz	MUGOPOVFJQICSL-NFAWXSAZSA-N	1	1	363.462	2.106	20	30		FEEDMO
CC1(C)CN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C[C@]2(CCOC2)O1	ZINC000330001302	554047639	/nfs/dbraw/zinc/04/76/39/554047639.db2.gz	XUPZIAPOVANHPL-LPHOPBHVSA-N	1	1	351.491	2.187	20	30		FEEDMO
CO[C@H](C)c1noc(CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1	ZINC000330078677	554060599	/nfs/dbraw/zinc/06/05/99/554060599.db2.gz	FSEFMHPOCQOGNQ-RLAWYHOSSA-N	1	1	351.451	2.138	20	30		FEEDMO
Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)c(=O)n(C)c1	ZINC000330096886	554064046	/nfs/dbraw/zinc/06/40/46/554064046.db2.gz	ABXDLSVWOQFDKS-GOSISDBHSA-N	1	1	354.454	2.270	20	30		FEEDMO
CC(=O)N[C@@H](C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C1CCCC1	ZINC000330124363	554068900	/nfs/dbraw/zinc/06/89/00/554068900.db2.gz	BBFCBMDQHIUFQL-KBXCAEBGSA-N	1	1	351.491	2.233	20	30		FEEDMO
C[C@@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1nccs1	ZINC000330228961	554089461	/nfs/dbraw/zinc/08/94/61/554089461.db2.gz	PXJDLAAOLUDYGL-KBPBESRZSA-N	1	1	352.504	2.346	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CCc3c2cccc3O)C[C@H]1[NH+]1CCOCC1	ZINC000330231307	554089967	/nfs/dbraw/zinc/08/99/67/554089967.db2.gz	QYDKFIVFYCBOJN-ZTFGCOKTSA-N	1	1	359.470	2.336	20	30		FEEDMO
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)C1	ZINC000330257739	554094038	/nfs/dbraw/zinc/09/40/38/554094038.db2.gz	QWCGCHQLNQWTAU-ZJIFWQFVSA-N	1	1	359.474	2.006	20	30		FEEDMO
CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)C1	ZINC000330257739	554094040	/nfs/dbraw/zinc/09/40/40/554094040.db2.gz	QWCGCHQLNQWTAU-ZJIFWQFVSA-N	1	1	359.474	2.006	20	30		FEEDMO
CCCCOCCNC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000507852587	561743360	/nfs/dbraw/zinc/74/33/60/561743360.db2.gz	WQORDWMFVTVQEV-UHFFFAOYSA-N	1	1	359.470	2.334	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1	ZINC000330382926	554113917	/nfs/dbraw/zinc/11/39/17/554113917.db2.gz	JHCPPJYNCBEMDZ-WBVHZDCISA-N	1	1	356.536	2.099	20	30		FEEDMO
COC(=O)c1cc(Cl)ccc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1	ZINC000330402087	554116734	/nfs/dbraw/zinc/11/67/34/554116734.db2.gz	OKWDDYOKPQDCBH-UHFFFAOYSA-N	1	1	369.849	2.061	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000330415289	554118683	/nfs/dbraw/zinc/11/86/83/554118683.db2.gz	NQPZRPIDMRXTQG-IJEWVQPXSA-N	1	1	370.544	2.199	20	30		FEEDMO
C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C(=O)OC(C)(C)C)CC1	ZINC000330492331	554128999	/nfs/dbraw/zinc/12/89/99/554128999.db2.gz	QTQZZWUMEXLIQW-LBPRGKRZSA-N	1	1	355.479	2.257	20	30		FEEDMO
CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1	ZINC000330518141	554132517	/nfs/dbraw/zinc/13/25/17/554132517.db2.gz	GRZOLHMIJTWUPF-CABCVRRESA-N	1	1	362.474	2.276	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cc(C#N)ccc2F)[C@@H](C)C1	ZINC000330588414	554142057	/nfs/dbraw/zinc/14/20/57/554142057.db2.gz	YUWLLHFCSIUFLW-GUYCJALGSA-N	1	1	353.463	2.189	20	30		FEEDMO
CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(CS(C)(=O)=O)c1	ZINC000330758441	554167726	/nfs/dbraw/zinc/16/77/26/554167726.db2.gz	LNZUWYPFIYDXGU-MRXNPFEDSA-N	1	1	353.488	2.049	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)NCc2ccc(Br)s2)C1	ZINC000330844036	554178363	/nfs/dbraw/zinc/17/83/63/554178363.db2.gz	OEKSEYPQBGXOBO-JTQLQIEISA-N	1	1	362.293	2.235	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000330913672	554187589	/nfs/dbraw/zinc/18/75/89/554187589.db2.gz	RRRSAARUGJIXMX-QLFBSQMISA-N	1	1	367.490	2.483	20	30		FEEDMO
CNC(=O)c1cccc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1C	ZINC000331261602	554238163	/nfs/dbraw/zinc/23/81/63/554238163.db2.gz	CEEYTZGNBOMQMH-UHFFFAOYSA-N	1	1	361.490	2.281	20	30		FEEDMO
CC(C)N(C)c1ccccc1CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000331336768	554248466	/nfs/dbraw/zinc/24/84/66/554248466.db2.gz	YVMMOBSHJZPULM-IRXDYDNUSA-N	1	1	362.518	2.332	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@H](O)[C@@H](C)C2)c1C#N	ZINC000509129184	561785781	/nfs/dbraw/zinc/78/57/81/561785781.db2.gz	UWWOLHUZLBPDFK-UGSOOPFHSA-N	1	1	370.453	2.259	20	30		FEEDMO
CCC[N@@H+](C)[C@@H](CNS(=O)(=O)N(C)CCC#N)c1ccc(Cl)cc1	ZINC000509633139	561808255	/nfs/dbraw/zinc/80/82/55/561808255.db2.gz	MEAIKMNBIDFTBZ-INIZCTEOSA-N	1	1	372.922	2.403	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1C(F)(F)F	ZINC000332302076	554420834	/nfs/dbraw/zinc/42/08/34/554420834.db2.gz	KWPYXYWMAGZOJY-GJZGRUSLSA-N	1	1	373.400	2.482	20	30		FEEDMO
CC1(C)CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@H]1C#N	ZINC000332507689	554458666	/nfs/dbraw/zinc/45/86/66/554458666.db2.gz	CCLNJWMPIYYYMH-IBGZPJMESA-N	1	1	354.498	2.345	20	30		FEEDMO
C[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccc(CC#N)cc2)CC1	ZINC000332527412	554463308	/nfs/dbraw/zinc/46/33/08/554463308.db2.gz	ODPHCGXCXFXSIQ-GOSISDBHSA-N	1	1	354.498	2.271	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1	ZINC000332797803	554518236	/nfs/dbraw/zinc/51/82/36/554518236.db2.gz	WSZJHUFMDBZTBG-ZFWWWQNUSA-N	1	1	357.458	2.467	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1	ZINC000332797803	554518237	/nfs/dbraw/zinc/51/82/37/554518237.db2.gz	WSZJHUFMDBZTBG-ZFWWWQNUSA-N	1	1	357.458	2.467	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)[nH]1	ZINC000610563587	554530238	/nfs/dbraw/zinc/53/02/38/554530238.db2.gz	BLSOKSIVSMEAQA-UHFFFAOYSA-N	1	1	362.384	2.166	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000510680746	561843291	/nfs/dbraw/zinc/84/32/91/561843291.db2.gz	GMWBQNUJZZBMDS-JSGCOSHPSA-N	1	1	360.376	2.068	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000510680746	561843293	/nfs/dbraw/zinc/84/32/93/561843293.db2.gz	GMWBQNUJZZBMDS-JSGCOSHPSA-N	1	1	360.376	2.068	20	30		FEEDMO
N#Cc1cnc2ccc(Cl)cc2c1N1CCC[C@H](N2CC[NH2+]CC2=O)C1	ZINC000333923776	554656400	/nfs/dbraw/zinc/65/64/00/554656400.db2.gz	SOPXCVDSDZGZRK-HNNXBMFYSA-N	1	1	369.856	2.160	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(-c3noc(-c4ccc(C#N)o4)n3)cc2)CC1	ZINC000350535129	554795946	/nfs/dbraw/zinc/79/59/46/554795946.db2.gz	YCYGVLVCTPBWOA-UHFFFAOYSA-N	1	1	363.377	2.256	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1	ZINC000360187112	554866725	/nfs/dbraw/zinc/86/67/25/554866725.db2.gz	JNXRSPYIFCZJDD-FOIQADDNSA-N	1	1	368.481	2.442	20	30		FEEDMO
COc1ccccc1CC(=O)N1CCC[N@@H+](CCCSCC#N)CC1	ZINC000360505807	554877545	/nfs/dbraw/zinc/87/75/45/554877545.db2.gz	ZZAAXSUOTCWQIX-UHFFFAOYSA-N	1	1	361.511	2.419	20	30		FEEDMO
N#CCCN(C(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1	ZINC000360925873	554895301	/nfs/dbraw/zinc/89/53/01/554895301.db2.gz	HQHKOEAWDBZGNQ-RLLQIKCJSA-N	1	1	352.482	2.349	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCNC(=O)[C@]2(C#N)CCc3ccccc3C2)C[C@H](C)O1	ZINC000362020218	554945090	/nfs/dbraw/zinc/94/50/90/554945090.db2.gz	GVRHLDADCLXSKD-LLGFUMIMSA-N	1	1	355.482	2.301	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)NC1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000362235513	554957263	/nfs/dbraw/zinc/95/72/63/554957263.db2.gz	KTEQDLCUKCYLIP-MRXNPFEDSA-N	1	1	350.507	2.117	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1	ZINC000511624341	561875096	/nfs/dbraw/zinc/87/50/96/561875096.db2.gz	CEBXSLYLQBHBEV-VXGBXAGGSA-N	1	1	361.389	2.441	20	30		FEEDMO
N#Cc1ccc(-c2nnc(CN3CCC[C@H]3C[N@@H+]3CCC[C@H]3CO)o2)cc1	ZINC000362814564	554990408	/nfs/dbraw/zinc/99/04/08/554990408.db2.gz	OFXHGBDXJJTHNU-ROUUACIJSA-N	1	1	367.453	2.029	20	30		FEEDMO
C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1	ZINC000362997889	555006986	/nfs/dbraw/zinc/00/69/86/555006986.db2.gz	PIHIIXKDVFYIBV-INIZCTEOSA-N	1	1	374.448	2.448	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCC#N	ZINC000363007283	555008858	/nfs/dbraw/zinc/00/88/58/555008858.db2.gz	FXJOKFLKEZHBPP-FKQXODTLSA-N	1	1	355.438	2.354	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)[nH]1	ZINC000614182390	555019516	/nfs/dbraw/zinc/01/95/16/555019516.db2.gz	OTGULUUIMMAJCB-KRWDZBQOSA-N	1	1	352.442	2.324	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)[nH]1	ZINC000614182390	555019517	/nfs/dbraw/zinc/01/95/17/555019517.db2.gz	OTGULUUIMMAJCB-KRWDZBQOSA-N	1	1	352.442	2.324	20	30		FEEDMO
C=CCN(CC(=O)NCc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363184554	555047957	/nfs/dbraw/zinc/04/79/57/555047957.db2.gz	ATMMFNLMYSRARM-OAQYLSRUSA-N	1	1	364.493	2.460	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CCc2ccc(C#N)cc2)CC1	ZINC000363368978	555087495	/nfs/dbraw/zinc/08/74/95/555087495.db2.gz	DBVMPCXKKFMQBX-FQEVSTJZSA-N	1	1	354.498	2.119	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)CCc1ccc(C#N)cc1	ZINC000363424116	555102406	/nfs/dbraw/zinc/10/24/06/555102406.db2.gz	OSVXWEXWXJLWKZ-LSTHTHJFSA-N	1	1	355.482	2.496	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CN2CCCC2=O)CC1	ZINC000363621980	555149121	/nfs/dbraw/zinc/14/91/21/555149121.db2.gz	LVWFKAXPDLFILV-OAHLLOKOSA-N	1	1	354.454	2.220	20	30		FEEDMO
Cn1cc(C#N)cc1C(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2	ZINC000363725001	555172352	/nfs/dbraw/zinc/17/23/52/555172352.db2.gz	PANLRTIGBJRPKK-UHFFFAOYSA-N	1	1	352.438	2.278	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1OC	ZINC000363904690	555210745	/nfs/dbraw/zinc/21/07/45/555210745.db2.gz	AIWCFYSLZWNRMX-OAHLLOKOSA-N	1	1	372.425	2.085	20	30		FEEDMO
C=CCN(C(=O)N[C@@H]1CCC(=O)N(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000364277351	555283116	/nfs/dbraw/zinc/28/31/16/555283116.db2.gz	AQXPTIYVBGYRPH-RTBURBONSA-N	1	1	370.497	2.079	20	30		FEEDMO
COCc1nccc([C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)n1	ZINC000364406237	555307392	/nfs/dbraw/zinc/30/73/92/555307392.db2.gz	RTZCAFNFMUGKPA-MJGOQNOKSA-N	1	1	352.438	2.408	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000512745852	561914020	/nfs/dbraw/zinc/91/40/20/561914020.db2.gz	XBDAJIPYKHBOPL-DOTOQJQBSA-N	1	1	361.511	2.448	20	30		FEEDMO
N#CCN(CC#N)C(=O)[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1	ZINC000365105037	555486515	/nfs/dbraw/zinc/48/65/15/555486515.db2.gz	MGMCATJRPQCWLQ-KRWDZBQOSA-N	1	1	363.421	2.429	20	30		FEEDMO
N#CCN(CC#N)C(=O)[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1	ZINC000365105037	555486518	/nfs/dbraw/zinc/48/65/18/555486518.db2.gz	MGMCATJRPQCWLQ-KRWDZBQOSA-N	1	1	363.421	2.429	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2c(F)cccc2C#N)[C@@H](C)C1	ZINC000512951862	561920717	/nfs/dbraw/zinc/92/07/17/561920717.db2.gz	XJGZHFDLEXPJFW-KXBFYZLASA-N	1	1	361.461	2.493	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCc1cccc(C#N)c1	ZINC000365336493	555546617	/nfs/dbraw/zinc/54/66/17/555546617.db2.gz	MXYVGVVWHDININ-LZQZEXGQSA-N	1	1	356.470	2.247	20	30		FEEDMO
COC(=O)C[C@](C)([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)c1cccc(F)c1	ZINC000513149442	561927139	/nfs/dbraw/zinc/92/71/39/561927139.db2.gz	KXBNFJRBMXWUFG-OALUTQOASA-N	1	1	363.433	2.248	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)ccc1Cl	ZINC000365543264	555604832	/nfs/dbraw/zinc/60/48/32/555604832.db2.gz	BNMNGHXMYPZUSO-JLJPHGGASA-N	1	1	372.856	2.093	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3[C@H](C(N)=O)C[C@@H]4CCCC[C@@H]43)C2=O)cc1	ZINC000366090818	555748794	/nfs/dbraw/zinc/74/87/94/555748794.db2.gz	ZBGMEGCSUNKIBD-WNHJNPCNSA-N	1	1	366.465	2.172	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)c1	ZINC000366223555	555785908	/nfs/dbraw/zinc/78/59/08/555785908.db2.gz	SNEQRVHZYQGADT-UHFFFAOYSA-N	1	1	362.433	2.413	20	30		FEEDMO
C[C@H](NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1)c1ccccc1Cl	ZINC000366341103	555815844	/nfs/dbraw/zinc/81/58/44/555815844.db2.gz	RTTRKTBELXMCCP-ZDUSSCGKSA-N	1	1	372.860	2.317	20	30		FEEDMO
N#CCC1(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1	ZINC000366607623	555888963	/nfs/dbraw/zinc/88/89/63/555888963.db2.gz	KIHSSFCJORLDQI-GOSISDBHSA-N	1	1	356.470	2.271	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)NCCN1CC[N@H+](C)C[C@H]1c1ccccc1	ZINC000366619196	555892155	/nfs/dbraw/zinc/89/21/55/555892155.db2.gz	IAJUEIIZVIQIML-IBGZPJMESA-N	1	1	352.438	2.178	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH2+][C@H](c2ccccc2)C1	ZINC000514583376	561967742	/nfs/dbraw/zinc/96/77/42/561967742.db2.gz	VVZKJRAHWITYGL-IBGZPJMESA-N	1	1	364.449	2.381	20	30		FEEDMO
Cc1[nH+]c(CNC(=O)NCCOc2ccc(C#N)cc2)c2n1CCCC2	ZINC000367359510	556027791	/nfs/dbraw/zinc/02/77/91/556027791.db2.gz	YPAUKQCILIONGJ-UHFFFAOYSA-N	1	1	353.426	2.278	20	30		FEEDMO
CC(C)(C[N@@H+]1CCn2ccnc2C1)C(=O)NC1(c2cccc(C#N)c2)CC1	ZINC000367723632	556123503	/nfs/dbraw/zinc/12/35/03/556123503.db2.gz	TYUICBDFXXMATB-UHFFFAOYSA-N	1	1	363.465	2.402	20	30		FEEDMO
CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)NC1(c2cccc(C#N)c2)CC1	ZINC000367723632	556123505	/nfs/dbraw/zinc/12/35/05/556123505.db2.gz	TYUICBDFXXMATB-UHFFFAOYSA-N	1	1	363.465	2.402	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@@H]21	ZINC000367843987	556152792	/nfs/dbraw/zinc/15/27/92/556152792.db2.gz	RLQDHHXZUOPAMX-MDZRGWNJSA-N	1	1	356.445	2.076	20	30		FEEDMO
C=CCNc1ncc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1	ZINC000622143598	556231141	/nfs/dbraw/zinc/23/11/41/556231141.db2.gz	BRVQBTFPDINMOH-INIZCTEOSA-N	1	1	372.494	2.238	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C	ZINC000368417934	556303186	/nfs/dbraw/zinc/30/31/86/556303186.db2.gz	VFYAHFORLTUCHT-BHIYHBOVSA-N	1	1	373.497	2.425	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)CC1	ZINC000368499823	556327392	/nfs/dbraw/zinc/32/73/92/556327392.db2.gz	SVGGGFUPJMMQNZ-RTWAWAEBSA-N	1	1	351.494	2.306	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1	ZINC000368618055	556364456	/nfs/dbraw/zinc/36/44/56/556364456.db2.gz	ISBQBQMEHKIKDA-SFHVURJKSA-N	1	1	372.513	2.219	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1	ZINC000368618055	556364458	/nfs/dbraw/zinc/36/44/58/556364458.db2.gz	ISBQBQMEHKIKDA-SFHVURJKSA-N	1	1	372.513	2.219	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1nnc2n1CCCC2	ZINC000515578591	562015889	/nfs/dbraw/zinc/01/58/89/562015889.db2.gz	XHYDYAUFKOSDFY-WBVHZDCISA-N	1	1	356.470	2.433	20	30		FEEDMO
N#Cc1c(F)ccc(CN2CC[NH+](C3(C(N)=O)CCCC3)CC2)c1Cl	ZINC000368897307	556442114	/nfs/dbraw/zinc/44/21/14/556442114.db2.gz	QVKRMAHVHLZACF-UHFFFAOYSA-N	1	1	364.852	2.266	20	30		FEEDMO
C=CCC1(C(=O)N2CCC3(C[C@H]3C(=O)N3CC[NH+](C)CC3)CC2)CCC1	ZINC000368975967	556465741	/nfs/dbraw/zinc/46/57/41/556465741.db2.gz	ZJAHHTHUKBZJQN-KRWDZBQOSA-N	1	1	359.514	2.136	20	30		FEEDMO
N#C[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1	ZINC000515750908	562020971	/nfs/dbraw/zinc/02/09/71/562020971.db2.gz	QQEHRFJQTZVFSC-HXUWFJFHSA-N	1	1	366.440	2.324	20	30		FEEDMO
C[C@H](CNC(=O)N1CCCN(c2ccc(C#N)cc2)CC1)[N@@H+](C)C1CC1	ZINC000369049985	556489251	/nfs/dbraw/zinc/48/92/51/556489251.db2.gz	AUTNZXFTLXUMRP-MRXNPFEDSA-N	1	1	355.486	2.263	20	30		FEEDMO
COC[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000369260473	556553708	/nfs/dbraw/zinc/55/37/08/556553708.db2.gz	VZMKKOVFPPSDTC-MRXNPFEDSA-N	1	1	367.453	2.431	20	30		FEEDMO
COC[C@@H]1CCCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000369260473	556553710	/nfs/dbraw/zinc/55/37/10/556553710.db2.gz	VZMKKOVFPPSDTC-MRXNPFEDSA-N	1	1	367.453	2.431	20	30		FEEDMO
N#CC[C@H](CC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1	ZINC000369530089	556621874	/nfs/dbraw/zinc/62/18/74/556621874.db2.gz	GFRSGFWFKYMIGG-MJGOQNOKSA-N	1	1	368.481	2.015	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(Cl)cc1)[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000369608679	556646895	/nfs/dbraw/zinc/64/68/95/556646895.db2.gz	HLXJXVXTEIGOSI-GFCCVEGCSA-N	1	1	358.833	2.467	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Oc2cnccn2)CC1	ZINC000369681627	556667440	/nfs/dbraw/zinc/66/74/40/556667440.db2.gz	OGVKCZQMEUGJBN-OAHLLOKOSA-N	1	1	357.458	2.051	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000369693123	556670180	/nfs/dbraw/zinc/67/01/80/556670180.db2.gz	PUKDVJMXXSCUAO-AWEZNQCLSA-N	1	1	374.445	2.159	20	30		FEEDMO
N#CC1(c2ccccn2)CC[NH+](CCn2cnc3ccccc3c2=O)CC1	ZINC000370293238	556831594	/nfs/dbraw/zinc/83/15/94/556831594.db2.gz	DDCDJLXQZMYILA-UHFFFAOYSA-N	1	1	359.433	2.349	20	30		FEEDMO
C=CCn1c(CC(F)(F)F)nnc1N1CC[NH+](CCOC(C)C)CC1	ZINC000517029724	562072407	/nfs/dbraw/zinc/07/24/07/562072407.db2.gz	DDYFABKJEPZYLU-UHFFFAOYSA-N	1	1	361.412	2.116	20	30		FEEDMO
C[C@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1ccc(C#N)nc1	ZINC000371494557	557199813	/nfs/dbraw/zinc/19/98/13/557199813.db2.gz	ZDNPXFCHVJVZCF-UZLBHIALSA-N	1	1	364.449	2.315	20	30		FEEDMO
C[C@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1ccc(C#N)nc1	ZINC000371494557	557199814	/nfs/dbraw/zinc/19/98/14/557199814.db2.gz	ZDNPXFCHVJVZCF-UZLBHIALSA-N	1	1	364.449	2.315	20	30		FEEDMO
C=CCOCCNC(=O)N(C)[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000371631256	557245670	/nfs/dbraw/zinc/24/56/70/557245670.db2.gz	BOXXAYDRABLRFV-PKOBYXMFSA-N	1	1	361.486	2.120	20	30		FEEDMO
C=CCOCCNC(=O)N(C)[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000371631256	557245673	/nfs/dbraw/zinc/24/56/73/557245673.db2.gz	BOXXAYDRABLRFV-PKOBYXMFSA-N	1	1	361.486	2.120	20	30		FEEDMO
CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000371828956	557305473	/nfs/dbraw/zinc/30/54/73/557305473.db2.gz	OOIJBSIZKQUKCG-MNOVXSKESA-N	1	1	357.439	2.176	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C#N	ZINC000372085969	557376493	/nfs/dbraw/zinc/37/64/93/557376493.db2.gz	QNCYEPVUIGKBGT-DLBZAZTESA-N	1	1	370.453	2.027	20	30		FEEDMO
C=CCN(C(=O)C(=O)Nc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372643592	557528628	/nfs/dbraw/zinc/52/86/28/557528628.db2.gz	YSMDWQWOSZAXSO-IBGZPJMESA-N	1	1	364.449	2.309	20	30		FEEDMO
N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C(=O)Nc3nccs3)C2)cc1	ZINC000372797598	557564165	/nfs/dbraw/zinc/56/41/65/557564165.db2.gz	BGAKHPFHJOSHBY-JKSUJKDBSA-N	1	1	356.451	2.399	20	30		FEEDMO
CN1C(=O)C[C@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@H]1c1ccc(F)cc1	ZINC000372809808	557566853	/nfs/dbraw/zinc/56/68/53/557566853.db2.gz	JMCQYZOIZNADAV-WMLDXEAASA-N	1	1	372.425	2.259	20	30		FEEDMO
N#Cc1ccc(Br)c(CN2CC[NH+]([C@@H]3CCOC3)CC2)c1	ZINC000372811668	557567098	/nfs/dbraw/zinc/56/70/98/557567098.db2.gz	ISEYKEWMOFVPHZ-OAHLLOKOSA-N	1	1	350.260	2.227	20	30		FEEDMO
CN1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)C1=O	ZINC000372902856	557585393	/nfs/dbraw/zinc/58/53/93/557585393.db2.gz	IZLBUXIWJHYUOR-IBGZPJMESA-N	1	1	374.872	2.485	20	30		FEEDMO
N#Cc1ccncc1N1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1	ZINC000519859024	562146754	/nfs/dbraw/zinc/14/67/54/562146754.db2.gz	RFDATUOTLQUMFE-UHFFFAOYSA-N	1	1	353.401	2.243	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2cccnc2C#N)cc1F	ZINC000373779004	557757393	/nfs/dbraw/zinc/75/73/93/557757393.db2.gz	FDZQLMAJPBNXMP-UHFFFAOYSA-N	1	1	371.397	2.065	20	30		FEEDMO
N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1	ZINC000373932656	557790572	/nfs/dbraw/zinc/79/05/72/557790572.db2.gz	IQIINQUCPJWVQQ-RTBURBONSA-N	1	1	367.497	2.407	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(O)(Cc2ccccc2OC)CC1	ZINC000373976417	557799519	/nfs/dbraw/zinc/79/95/19/557799519.db2.gz	YKFXZILBOYLIDX-KRWDZBQOSA-N	1	1	373.497	2.073	20	30		FEEDMO
CC(C)(C)NC(=O)CN1CCC[N@@H+](CCCC2(C#N)CCOCC2)CC1	ZINC000374098943	557823091	/nfs/dbraw/zinc/82/30/91/557823091.db2.gz	IRFWHPKUUQFYTK-UHFFFAOYSA-N	1	1	364.534	2.009	20	30		FEEDMO
Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cn1	ZINC000374259173	557853426	/nfs/dbraw/zinc/85/34/26/557853426.db2.gz	ZKJJGIXCAZLHPO-AEFFLSMTSA-N	1	1	350.426	2.028	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1[C@@H](O)c1ccc(OC)cc1	ZINC000374398496	557878740	/nfs/dbraw/zinc/87/87/40/557878740.db2.gz	KCPGYDBTHUHDCP-ZTNFWEORSA-N	1	1	359.470	2.201	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c1	ZINC000374566677	557900637	/nfs/dbraw/zinc/90/06/37/557900637.db2.gz	RVCLOJQUUJWHBC-MRXNPFEDSA-N	1	1	366.421	2.232	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)c1	ZINC000374566677	557900638	/nfs/dbraw/zinc/90/06/38/557900638.db2.gz	RVCLOJQUUJWHBC-MRXNPFEDSA-N	1	1	366.421	2.232	20	30		FEEDMO
C[C@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C1=CC[N@@H+](C)CC1	ZINC000374727541	557922003	/nfs/dbraw/zinc/92/20/03/557922003.db2.gz	BQKIYAXKXNUUEA-KXBFYZLASA-N	1	1	354.454	2.292	20	30		FEEDMO
CS(=O)(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)CC2	ZINC000374783718	557930779	/nfs/dbraw/zinc/93/07/79/557930779.db2.gz	ZXFCRLZLLCVBIO-HXUWFJFHSA-N	1	1	370.474	2.096	20	30		FEEDMO
CS(=O)(=O)c1ccc2c(c1)CC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)CC2	ZINC000374783718	557930781	/nfs/dbraw/zinc/93/07/81/557930781.db2.gz	ZXFCRLZLLCVBIO-HXUWFJFHSA-N	1	1	370.474	2.096	20	30		FEEDMO
C=CCN(C(=O)c1c(C)nn(C)c1N)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000375036255	557967854	/nfs/dbraw/zinc/96/78/54/557967854.db2.gz	HZOUVQCSDPRXHG-KRWDZBQOSA-N	1	1	353.470	2.213	20	30		FEEDMO
Cn1cc([C@H]2[C@@H](CNC(=O)c3ccc(F)c(C#N)c3)CCC[N@H+]2C)cn1	ZINC000375104894	557978537	/nfs/dbraw/zinc/97/85/37/557978537.db2.gz	JCLXTWKMYXHOOB-RDTXWAMCSA-N	1	1	355.417	2.244	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@@H](n3cncn3)C1)CCCC2	ZINC000375319414	558008761	/nfs/dbraw/zinc/00/87/61/558008761.db2.gz	ODMYZALREPNBLU-CYBMUJFWSA-N	1	1	370.482	2.366	20	30		FEEDMO
Clc1cccc(C#CCN2CCN(CC[N@H+]3CCCOCC3)CC2)c1	ZINC000375331847	558010285	/nfs/dbraw/zinc/01/02/85/558010285.db2.gz	ACYMHUDKDQISKN-UHFFFAOYSA-N	1	1	361.917	2.031	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1	ZINC000375471099	558033311	/nfs/dbraw/zinc/03/33/11/558033311.db2.gz	PPQNTISZANVLSR-JKSUJKDBSA-N	1	1	354.410	2.048	20	30		FEEDMO
N#CC1(NC(=O)CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCC1	ZINC000375739669	558075465	/nfs/dbraw/zinc/07/54/65/558075465.db2.gz	BKXZWLPLGQMICC-HXUWFJFHSA-N	1	1	352.482	2.147	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000375748698	558076821	/nfs/dbraw/zinc/07/68/21/558076821.db2.gz	JOYAYTZWFWGNHV-UAFMIMERSA-N	1	1	358.482	2.109	20	30		FEEDMO
COc1ccc(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc1C#N	ZINC000375755651	558077804	/nfs/dbraw/zinc/07/78/04/558077804.db2.gz	GZPVUPAIJUFLEZ-QZTJIDSGSA-N	1	1	373.453	2.436	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc1C#N	ZINC000375755651	558077806	/nfs/dbraw/zinc/07/78/06/558077806.db2.gz	GZPVUPAIJUFLEZ-QZTJIDSGSA-N	1	1	373.453	2.436	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000375965099	558106006	/nfs/dbraw/zinc/10/60/06/558106006.db2.gz	WMINRMCXUVHLJC-FOIQADDNSA-N	1	1	359.445	2.450	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1	ZINC000375965099	558106007	/nfs/dbraw/zinc/10/60/07/558106007.db2.gz	WMINRMCXUVHLJC-FOIQADDNSA-N	1	1	359.445	2.450	20	30		FEEDMO
CC(=O)NCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000521620163	562180541	/nfs/dbraw/zinc/18/05/41/562180541.db2.gz	JMCQIDYVDPMPSU-UHFFFAOYSA-N	1	1	362.499	2.285	20	30		FEEDMO
CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)o1	ZINC000376329167	558158970	/nfs/dbraw/zinc/15/89/70/558158970.db2.gz	YVTHWSVFDWOXNK-MRXNPFEDSA-N	1	1	359.451	2.436	20	30		FEEDMO
CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)o1	ZINC000376329167	558158971	/nfs/dbraw/zinc/15/89/71/558158971.db2.gz	YVTHWSVFDWOXNK-MRXNPFEDSA-N	1	1	359.451	2.436	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000376402593	558168871	/nfs/dbraw/zinc/16/88/71/558168871.db2.gz	JKNVRKYTBOKODL-JWTNVVGKSA-N	1	1	357.502	2.430	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1	ZINC000377194292	558285908	/nfs/dbraw/zinc/28/59/08/558285908.db2.gz	DKRHWIOEHQUXAK-LJQANCHMSA-N	1	1	372.513	2.173	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)c2cccc(CC#N)c2)[C@@H](c2ccccc2)C1	ZINC000377430005	558339256	/nfs/dbraw/zinc/33/92/56/558339256.db2.gz	BLQUVQFIKYPNAK-OAQYLSRUSA-N	1	1	362.477	2.471	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O)c1ccccc1	ZINC000377498397	558352199	/nfs/dbraw/zinc/35/21/99/558352199.db2.gz	XBLFOIURGORHHD-NXHRZFHOSA-N	1	1	354.454	2.052	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O)c1ccccc1	ZINC000377498397	558352201	/nfs/dbraw/zinc/35/22/01/558352201.db2.gz	XBLFOIURGORHHD-NXHRZFHOSA-N	1	1	354.454	2.052	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CC(N)=O)C1	ZINC000377608983	558376482	/nfs/dbraw/zinc/37/64/82/558376482.db2.gz	WPTGOBITPGAUHU-KGLIPLIRSA-N	1	1	360.483	2.217	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CC(N)=O)C1	ZINC000377608983	558376485	/nfs/dbraw/zinc/37/64/85/558376485.db2.gz	WPTGOBITPGAUHU-KGLIPLIRSA-N	1	1	360.483	2.217	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1	ZINC000377684331	558395959	/nfs/dbraw/zinc/39/59/59/558395959.db2.gz	WRTBVZPMNZGOMN-HXUWFJFHSA-N	1	1	360.461	2.311	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)nc1	ZINC000377836873	558431981	/nfs/dbraw/zinc/43/19/81/558431981.db2.gz	GTOFJTVWDZKCMY-QKNQBKEWSA-N	1	1	360.461	2.184	20	30		FEEDMO
C#CC[C@H](NC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1	ZINC000378277438	558517827	/nfs/dbraw/zinc/51/78/27/558517827.db2.gz	MMEVLYMBGORCDK-AQNXPRMDSA-N	1	1	355.482	2.382	20	30		FEEDMO
CN(CCC#N)c1ccc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1	ZINC000378353362	558536897	/nfs/dbraw/zinc/53/68/97/558536897.db2.gz	XJKICZVEDWCTQA-NRFANRHFSA-N	1	1	355.530	2.248	20	30		FEEDMO
Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)cn1	ZINC000378357590	558537782	/nfs/dbraw/zinc/53/77/82/558537782.db2.gz	CKFFBKHZPGWEER-MJGOQNOKSA-N	1	1	367.453	2.208	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1	ZINC000378459545	558562494	/nfs/dbraw/zinc/56/24/94/558562494.db2.gz	UAQWJEUSAZPSTG-MDZRGWNJSA-N	1	1	358.461	2.487	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000378553966	558581528	/nfs/dbraw/zinc/58/15/28/558581528.db2.gz	WZOWKTQBNPDSIH-GOEBONIOSA-N	1	1	373.501	2.409	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1	ZINC000378553966	558581529	/nfs/dbraw/zinc/58/15/29/558581529.db2.gz	WZOWKTQBNPDSIH-GOEBONIOSA-N	1	1	373.501	2.409	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)s1	ZINC000389986172	558610731	/nfs/dbraw/zinc/61/07/31/558610731.db2.gz	MEQAXSWMDHQVNI-XJKSGUPXSA-N	1	1	361.492	2.419	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(C#N)s1	ZINC000389986172	558610732	/nfs/dbraw/zinc/61/07/32/558610732.db2.gz	MEQAXSWMDHQVNI-XJKSGUPXSA-N	1	1	361.492	2.419	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@H]1C	ZINC000408332646	558667571	/nfs/dbraw/zinc/66/75/71/558667571.db2.gz	YCZVEBPKQIWDAK-CVEARBPZSA-N	1	1	367.497	2.375	20	30		FEEDMO
Cc1cc(NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(C#N)cc1N(C)C	ZINC000408468990	558680834	/nfs/dbraw/zinc/68/08/34/558680834.db2.gz	OPGWCAZWXSRMHD-DNVCBOLYSA-N	1	1	371.485	2.117	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1=O	ZINC000410116403	558739446	/nfs/dbraw/zinc/73/94/46/558739446.db2.gz	FLCICIRWCYVZIB-OALUTQOASA-N	1	1	355.482	2.286	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1=O	ZINC000410116403	558739447	/nfs/dbraw/zinc/73/94/47/558739447.db2.gz	FLCICIRWCYVZIB-OALUTQOASA-N	1	1	355.482	2.286	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1=O	ZINC000410122037	558739880	/nfs/dbraw/zinc/73/98/80/558739880.db2.gz	UQJKVAONQTUKCA-ROUUACIJSA-N	1	1	359.445	2.035	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1=O	ZINC000410122037	558739883	/nfs/dbraw/zinc/73/98/83/558739883.db2.gz	UQJKVAONQTUKCA-ROUUACIJSA-N	1	1	359.445	2.035	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1	ZINC000410161738	558743425	/nfs/dbraw/zinc/74/34/25/558743425.db2.gz	LYVGCVCSRQOCBA-WMZOPIPTSA-N	1	1	370.563	2.347	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000410817507	558813741	/nfs/dbraw/zinc/81/37/41/558813741.db2.gz	XURQDBCOYZHQQL-OAQYLSRUSA-N	1	1	355.482	2.146	20	30		FEEDMO
C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000411141353	558844312	/nfs/dbraw/zinc/84/43/12/558844312.db2.gz	VHBMOBUYSDIKMD-MRXNPFEDSA-N	1	1	371.510	2.263	20	30		FEEDMO
C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000411141353	558844314	/nfs/dbraw/zinc/84/43/14/558844314.db2.gz	VHBMOBUYSDIKMD-MRXNPFEDSA-N	1	1	371.510	2.263	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@H]1C	ZINC000525395900	562247312	/nfs/dbraw/zinc/24/73/12/562247312.db2.gz	IKZUKKDIYKAWBV-RDTXWAMCSA-N	1	1	366.469	2.271	20	30		FEEDMO
C[C@@H](CCC#N)[NH+]1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1	ZINC000411500073	558906361	/nfs/dbraw/zinc/90/63/61/558906361.db2.gz	SEGYWGGAWJSHBA-AZUAARDMSA-N	1	1	354.498	2.487	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(C(=O)N(C)C)CC1	ZINC000411915626	558987546	/nfs/dbraw/zinc/98/75/46/558987546.db2.gz	STABUWBNHGSYFD-CYBMUJFWSA-N	1	1	360.483	2.087	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000413298789	559096880	/nfs/dbraw/zinc/09/68/80/559096880.db2.gz	SWLNEXVCHNNSFH-OALUTQOASA-N	1	1	372.513	2.060	20	30		FEEDMO
C=CCOc1ccccc1C[NH+]1CCC(N2CCCS2(=O)=O)CC1	ZINC000414472823	559167216	/nfs/dbraw/zinc/16/72/16/559167216.db2.gz	TUSYBIHVFWZWQF-UHFFFAOYSA-N	1	1	350.484	2.251	20	30		FEEDMO
CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1	ZINC000414499186	559168790	/nfs/dbraw/zinc/16/87/90/559168790.db2.gz	OBQDERYKGZSWQY-QGZVFWFLSA-N	1	1	351.454	2.374	20	30		FEEDMO
Cn1ncc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1C#N	ZINC000527250536	562282271	/nfs/dbraw/zinc/28/22/71/562282271.db2.gz	MEFJEFMYPXLQOI-MJGOQNOKSA-N	1	1	363.465	2.418	20	30		FEEDMO
C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2	ZINC000416462662	559314840	/nfs/dbraw/zinc/31/48/40/559314840.db2.gz	RSACYECSLOZDKO-GOSISDBHSA-N	1	1	365.433	2.315	20	30		FEEDMO
Cc1ncccc1OC[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000419385699	559440265	/nfs/dbraw/zinc/44/02/65/559440265.db2.gz	AUEHNXGUBPRECY-IBGZPJMESA-N	1	1	364.449	2.421	20	30		FEEDMO
Cc1ncccc1OC[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1	ZINC000419385699	559440266	/nfs/dbraw/zinc/44/02/66/559440266.db2.gz	AUEHNXGUBPRECY-IBGZPJMESA-N	1	1	364.449	2.421	20	30		FEEDMO
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N[C@H]1CCC[N@H+](CCCO)C1	ZINC000419603266	559449398	/nfs/dbraw/zinc/44/93/98/559449398.db2.gz	BAZYHEFALVMHJC-PKOBYXMFSA-N	1	1	356.470	2.082	20	30		FEEDMO
N#Cc1ccc(CNC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)s1	ZINC000420775810	559503739	/nfs/dbraw/zinc/50/37/39/559503739.db2.gz	UQVUIWSQKRJWGN-UHFFFAOYSA-N	1	1	370.478	2.451	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1	ZINC000421002072	559518683	/nfs/dbraw/zinc/51/86/83/559518683.db2.gz	DJIWLWBAPUAQHJ-OAGGEKHMSA-N	1	1	351.491	2.294	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1	ZINC000421002070	559518891	/nfs/dbraw/zinc/51/88/91/559518891.db2.gz	DJIWLWBAPUAQHJ-ARFHVFGLSA-N	1	1	351.491	2.294	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCNC(=O)[C@H]2CC2CCCCC2)cc1	ZINC000421035233	559521150	/nfs/dbraw/zinc/52/11/50/559521150.db2.gz	HWSYCMWEDRACDV-UYAOXDASSA-N	1	1	371.481	2.069	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCNC(=O)[C@H]2CC2CCCCC2)cc1	ZINC000421035233	559521151	/nfs/dbraw/zinc/52/11/51/559521151.db2.gz	HWSYCMWEDRACDV-UYAOXDASSA-N	1	1	371.481	2.069	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2CC[N@@H+](C)CC[C@H]2C)c(C#N)cn1CC	ZINC000421178295	559529245	/nfs/dbraw/zinc/52/92/45/559529245.db2.gz	WXXZRXOSNUNHEV-CYBMUJFWSA-N	1	1	361.446	2.114	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)C(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000421709494	559550363	/nfs/dbraw/zinc/55/03/63/559550363.db2.gz	FOAVMYKFUQMTSL-GOSISDBHSA-N	1	1	356.470	2.266	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1)OCC	ZINC000422021412	559561117	/nfs/dbraw/zinc/56/11/17/559561117.db2.gz	NKAJNQKPSICVJX-LJQANCHMSA-N	1	1	351.535	2.376	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1)OCC	ZINC000422021412	559561118	/nfs/dbraw/zinc/56/11/18/559561118.db2.gz	NKAJNQKPSICVJX-LJQANCHMSA-N	1	1	351.535	2.376	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NCC(C)(C)CC#N)C1CC1	ZINC000422375349	559583151	/nfs/dbraw/zinc/58/31/51/559583151.db2.gz	JIQMBANPFSKMGD-SFHVURJKSA-N	1	1	370.497	2.069	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC(C)(C)CC#N	ZINC000422493225	559591914	/nfs/dbraw/zinc/59/19/14/559591914.db2.gz	XTPOTESQUBYCLO-SFHVURJKSA-N	1	1	370.497	2.023	20	30		FEEDMO
C=CCCn1cc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)nn1	ZINC000424223714	559658508	/nfs/dbraw/zinc/65/85/08/559658508.db2.gz	QHZWVKVEMCQZOM-UHFFFAOYSA-N	1	1	366.425	2.403	20	30		FEEDMO
C=CCCn1cc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000424701026	559674092	/nfs/dbraw/zinc/67/40/92/559674092.db2.gz	SNNNBECMMQERCS-GOSISDBHSA-N	1	1	353.470	2.448	20	30		FEEDMO
C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1	ZINC000424710868	559674294	/nfs/dbraw/zinc/67/42/94/559674294.db2.gz	VCEXROYOFJCZJY-FUHWJXTLSA-N	1	1	353.470	2.495	20	30		FEEDMO
CN1C(=O)NCC12CC[NH+](Cc1ccc(C#N)cc1OC(F)F)CC2	ZINC000425534111	559708238	/nfs/dbraw/zinc/70/82/38/559708238.db2.gz	AYCVYQFYZIBTBJ-UHFFFAOYSA-N	1	1	350.369	2.149	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000425724271	559716113	/nfs/dbraw/zinc/71/61/13/559716113.db2.gz	KHNWARYILPHDTR-SXLOBPIMSA-N	1	1	373.497	2.034	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1	ZINC000425889714	559724118	/nfs/dbraw/zinc/72/41/18/559724118.db2.gz	QRGBOWPLDOUEQW-OAHLLOKOSA-N	1	1	367.453	2.179	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(OC[C@@H]2CCCCO2)CC1	ZINC000426803060	559742138	/nfs/dbraw/zinc/74/21/38/559742138.db2.gz	JZRSLSUONAWDKR-KPFFTGBYSA-N	1	1	365.518	2.479	20	30		FEEDMO
C=CCCCS(=O)(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1	ZINC000427781780	559762433	/nfs/dbraw/zinc/76/24/33/559762433.db2.gz	UAUFUXPLJDJNTK-UHFFFAOYSA-N	1	1	367.515	2.021	20	30		FEEDMO
C[C@@H](NC(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(F)cc1	ZINC000428772066	559782975	/nfs/dbraw/zinc/78/29/75/559782975.db2.gz	KKBZUAWMLSAWDC-KDOFPFPSSA-N	1	1	368.412	2.423	20	30		FEEDMO
C[C@@H](NC(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(F)cc1	ZINC000428772066	559782976	/nfs/dbraw/zinc/78/29/76/559782976.db2.gz	KKBZUAWMLSAWDC-KDOFPFPSSA-N	1	1	368.412	2.423	20	30		FEEDMO
C[C@@H](c1ccccc1)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)C(N)=O	ZINC000428860739	559784930	/nfs/dbraw/zinc/78/49/30/559784930.db2.gz	NHMOVURUZTWKQN-KPZWWZAWSA-N	1	1	370.840	2.397	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCCNC(=O)c2ncc(C#N)cc2Cl)C[C@H](C)O1	ZINC000432196051	559854077	/nfs/dbraw/zinc/85/40/77/559854077.db2.gz	MGGBWRICNMMHPR-BETUJISGSA-N	1	1	350.850	2.226	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@H+]1CCCC[C@@H]1C	ZINC000434729779	559908019	/nfs/dbraw/zinc/90/80/19/559908019.db2.gz	ZEPKTUYUEXOHGI-GJZGRUSLSA-N	1	1	373.501	2.432	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1C	ZINC000434983825	559913658	/nfs/dbraw/zinc/91/36/58/559913658.db2.gz	UKAUQTZBRXKIEQ-PBHICJAKSA-N	1	1	353.426	2.242	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000436265243	559939038	/nfs/dbraw/zinc/93/90/38/559939038.db2.gz	LUHRMUAKHWYYMU-TYPHKJRUSA-N	1	1	371.525	2.385	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1	ZINC000436265243	559939039	/nfs/dbraw/zinc/93/90/39/559939039.db2.gz	LUHRMUAKHWYYMU-TYPHKJRUSA-N	1	1	371.525	2.385	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O	ZINC000437881959	559971121	/nfs/dbraw/zinc/97/11/21/559971121.db2.gz	NMWDHUWOTSOMAX-IAGOWNOFSA-N	1	1	363.483	2.174	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)NCC1CCC(C#N)CC1)[NH+]1CCOCC1	ZINC000440996578	560021282	/nfs/dbraw/zinc/02/12/82/560021282.db2.gz	HDMPRPMTDGHCJR-DAWZGUTISA-N	1	1	350.507	2.362	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)N[C@H](CCC#N)c2ccccc2)CC1(C)C	ZINC000441014894	560021615	/nfs/dbraw/zinc/02/16/15/560021615.db2.gz	PYTFEXMIKRUTJI-GOSISDBHSA-N	1	1	357.502	2.357	20	30		FEEDMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@H]1C	ZINC000441106255	560024071	/nfs/dbraw/zinc/02/40/71/560024071.db2.gz	QYIJXIXQHRUFLS-CVEARBPZSA-N	1	1	372.469	2.249	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C[C@H]1C	ZINC000441106255	560024072	/nfs/dbraw/zinc/02/40/72/560024072.db2.gz	QYIJXIXQHRUFLS-CVEARBPZSA-N	1	1	372.469	2.249	20	30		FEEDMO
C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC(C)(C)CN1CCOCC1	ZINC000443640963	560089163	/nfs/dbraw/zinc/08/91/63/560089163.db2.gz	SPSBFVLBJZBUPP-UHFFFAOYSA-N	1	1	369.469	2.398	20	30		FEEDMO
C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC(C)(C)CN1CCOCC1	ZINC000443640963	560089164	/nfs/dbraw/zinc/08/91/64/560089164.db2.gz	SPSBFVLBJZBUPP-UHFFFAOYSA-N	1	1	369.469	2.398	20	30		FEEDMO
CN(Cc1nnc(-c2cccc(C#N)c2)o1)CC(C)(C)C[NH+]1CCOCC1	ZINC000443640963	560089165	/nfs/dbraw/zinc/08/91/65/560089165.db2.gz	SPSBFVLBJZBUPP-UHFFFAOYSA-N	1	1	369.469	2.398	20	30		FEEDMO
COc1cccc([C@@H](CNS(=O)(=O)c2ccc(C#N)c(C)c2)[NH+](C)C)c1	ZINC000443956760	560097420	/nfs/dbraw/zinc/09/74/20/560097420.db2.gz	DJHZFHFLFXBYAJ-LJQANCHMSA-N	1	1	373.478	2.457	20	30		FEEDMO
C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[N@@H+](C)C1CC1	ZINC000448891647	560205163	/nfs/dbraw/zinc/20/51/63/560205163.db2.gz	UVOSAMLYXGPAJG-TZMCWYRMSA-N	1	1	374.872	2.163	20	30		FEEDMO
C[C@H]1C[C@@]1(C#N)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000448892542	560205190	/nfs/dbraw/zinc/20/51/90/560205190.db2.gz	CSLSHBVAWLDJGZ-KKSFZXQISA-N	1	1	371.481	2.342	20	30		FEEDMO
C[NH+]1CCC(CNc2ncc(C#N)cc2[N+](=O)[O-])(N2CCCCC2)CC1	ZINC000450355724	560259501	/nfs/dbraw/zinc/25/95/01/560259501.db2.gz	DLAZIAYSFRIGHJ-UHFFFAOYSA-N	1	1	358.446	2.224	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3nccc(C)c3C#N)C2)CC1	ZINC000450763646	560272542	/nfs/dbraw/zinc/27/25/42/560272542.db2.gz	BLGFQVFLNRPKPG-GOSISDBHSA-N	1	1	355.486	2.032	20	30		FEEDMO
N#CCC1(CS(=O)(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1	ZINC000451168362	560290891	/nfs/dbraw/zinc/29/08/91/560290891.db2.gz	VRHNCSGAKRHGPV-SFHVURJKSA-N	1	1	361.511	2.164	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1	ZINC000451179123	560291620	/nfs/dbraw/zinc/29/16/20/560291620.db2.gz	CLONAVOAIRYNNE-KRWDZBQOSA-N	1	1	369.494	2.232	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](CO)[C@H]2CC)cc1	ZINC000451257695	560296340	/nfs/dbraw/zinc/29/63/40/560296340.db2.gz	VUEPAEVTPPFIRF-QFBILLFUSA-N	1	1	359.470	2.425	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1	ZINC000451269014	560297299	/nfs/dbraw/zinc/29/72/99/560297299.db2.gz	SJMCHFRQDJDTQC-HMXCVIKNSA-N	1	1	370.424	2.098	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1	ZINC000451269014	560297300	/nfs/dbraw/zinc/29/73/00/560297300.db2.gz	SJMCHFRQDJDTQC-HMXCVIKNSA-N	1	1	370.424	2.098	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2C(=O)NCC(F)F)c1	ZINC000451802346	560329360	/nfs/dbraw/zinc/32/93/60/560329360.db2.gz	LNYPSKIOHQQVDK-HNNXBMFYSA-N	1	1	364.396	2.123	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C(=O)NCC(F)F)c1	ZINC000451802346	560329361	/nfs/dbraw/zinc/32/93/61/560329361.db2.gz	LNYPSKIOHQQVDK-HNNXBMFYSA-N	1	1	364.396	2.123	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@H](CCCO)C1	ZINC000452127276	560353055	/nfs/dbraw/zinc/35/30/55/560353055.db2.gz	KZXPGAAAULBHPV-IRXDYDNUSA-N	1	1	359.470	2.425	20	30		FEEDMO
C=CCn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](CCOCC)[C@H](CC)C1	ZINC000453424038	560386389	/nfs/dbraw/zinc/38/63/89/560386389.db2.gz	GOBPINICIGFJGA-SJORKVTESA-N	1	1	363.506	2.253	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1	ZINC000453645187	560392931	/nfs/dbraw/zinc/39/29/31/560392931.db2.gz	FSNSLIRAAIRCDH-UHFFFAOYSA-N	1	1	354.454	2.282	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)c1	ZINC000453695151	560397407	/nfs/dbraw/zinc/39/74/07/560397407.db2.gz	KRBHXULIJULGQQ-INIZCTEOSA-N	1	1	364.449	2.442	20	30		FEEDMO
CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000453987638	560419675	/nfs/dbraw/zinc/41/96/75/560419675.db2.gz	ZICFPBIKCCPODO-QGZVFWFLSA-N	1	1	372.469	2.250	20	30		FEEDMO
CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000453987638	560419676	/nfs/dbraw/zinc/41/96/76/560419676.db2.gz	ZICFPBIKCCPODO-QGZVFWFLSA-N	1	1	372.469	2.250	20	30		FEEDMO
C=CC(C)(C)CNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000454326763	560439982	/nfs/dbraw/zinc/43/99/82/560439982.db2.gz	XSIIBVODZQOWHI-UHFFFAOYSA-N	1	1	358.486	2.086	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000454700572	560455071	/nfs/dbraw/zinc/45/50/71/560455071.db2.gz	VXGOYYIEWQQVLW-ZGXWSNOMSA-N	1	1	373.497	2.309	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000454700572	560455072	/nfs/dbraw/zinc/45/50/72/560455072.db2.gz	VXGOYYIEWQQVLW-ZGXWSNOMSA-N	1	1	373.497	2.309	20	30		FEEDMO
CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000455131812	560471166	/nfs/dbraw/zinc/47/11/66/560471166.db2.gz	BTUMAOGPURGOAO-MRXNPFEDSA-N	1	1	353.430	2.087	20	30		FEEDMO
C=CC(C)(C)CNC(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000455380032	560480211	/nfs/dbraw/zinc/48/02/11/560480211.db2.gz	FTFGEMMODRMDDM-IAGOWNOFSA-N	1	1	367.534	2.498	20	30		FEEDMO
COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1	ZINC000455862032	560498059	/nfs/dbraw/zinc/49/80/59/560498059.db2.gz	OESZWVOFZHXJGI-INIZCTEOSA-N	1	1	371.481	2.223	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCCC[N@H+](C)C3CC3)C2)n1	ZINC000457197775	560555446	/nfs/dbraw/zinc/55/54/46/560555446.db2.gz	JODMCYFGIWKWIY-SFHVURJKSA-N	1	1	369.513	2.469	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC	ZINC000457814293	560589065	/nfs/dbraw/zinc/58/90/65/560589065.db2.gz	KYVOMLRMNIRHFM-YZYRWKSTSA-N	1	1	350.503	2.458	20	30		FEEDMO
CC[N@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)N(C)CC(C)(C)C#N)C1	ZINC000458696945	560641431	/nfs/dbraw/zinc/64/14/31/560641431.db2.gz	MDJDBPMERIPMDX-UHFFFAOYSA-N	1	1	366.506	2.372	20	30		FEEDMO
CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)N(C)CC(C)(C)C#N)C1	ZINC000458696945	560641433	/nfs/dbraw/zinc/64/14/33/560641433.db2.gz	MDJDBPMERIPMDX-UHFFFAOYSA-N	1	1	366.506	2.372	20	30		FEEDMO
COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1	ZINC000459491491	560689564	/nfs/dbraw/zinc/68/95/64/560689564.db2.gz	MIDJPQVXQDWPPN-QAPCUYQASA-N	1	1	373.409	2.257	20	30		FEEDMO
CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000459585164	560696123	/nfs/dbraw/zinc/69/61/23/560696123.db2.gz	OUGWQIQOQJXVAU-OXQOHEQNSA-N	1	1	360.454	2.352	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1	ZINC000459586731	560696137	/nfs/dbraw/zinc/69/61/37/560696137.db2.gz	PMBJJONLYQIMAB-MDASCCDHSA-N	1	1	351.491	2.483	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000460073305	560733150	/nfs/dbraw/zinc/73/31/50/560733150.db2.gz	XEMFLBUCGMQFAB-LJQANCHMSA-N	1	1	357.498	2.042	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1	ZINC000460073305	560733151	/nfs/dbraw/zinc/73/31/51/560733151.db2.gz	XEMFLBUCGMQFAB-LJQANCHMSA-N	1	1	357.498	2.042	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[N@H+]1C	ZINC000465874272	560874684	/nfs/dbraw/zinc/87/46/84/560874684.db2.gz	MNYQLFGNTALBDH-OIISXLGYSA-N	1	1	373.476	2.448	20	30		FEEDMO
C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2[nH]ncc21	ZINC000467098787	560903626	/nfs/dbraw/zinc/90/36/26/560903626.db2.gz	AQXQYSPKDNVFMA-KRWDZBQOSA-N	1	1	351.454	2.292	20	30		FEEDMO
C=C(C)CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1	ZINC000467194278	560906100	/nfs/dbraw/zinc/90/61/00/560906100.db2.gz	JDPUWQWRADSSIX-UHFFFAOYSA-N	1	1	354.248	2.142	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1	ZINC000469377450	560953715	/nfs/dbraw/zinc/95/37/15/560953715.db2.gz	QZNHQDCYMMGUSP-INIZCTEOSA-N	1	1	354.454	2.396	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1	ZINC000469431840	560955215	/nfs/dbraw/zinc/95/52/15/560955215.db2.gz	KUVKWHSUTQQUBZ-YLJYHZDGSA-N	1	1	374.481	2.159	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[N@H+]1CCc2cc(OC)c(OC)cc2C1	ZINC000469431840	560955216	/nfs/dbraw/zinc/95/52/16/560955216.db2.gz	KUVKWHSUTQQUBZ-YLJYHZDGSA-N	1	1	374.481	2.159	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)[C@H]1C	ZINC000469998124	560971425	/nfs/dbraw/zinc/97/14/25/560971425.db2.gz	BSDUPSJCILYUHS-JJRVBVJISA-N	1	1	361.417	2.344	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)c(OC)c1	ZINC000470003326	560971550	/nfs/dbraw/zinc/97/15/50/560971550.db2.gz	QDWLDBROGJTMDG-UAGQMJEPSA-N	1	1	363.454	2.047	20	30		FEEDMO
N#Cc1ccc([C@@H](C(N)=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1	ZINC000471003899	560996294	/nfs/dbraw/zinc/99/62/94/560996294.db2.gz	GNAPJQYKSAMDHG-HBMCJLEFSA-N	1	1	360.461	2.148	20	30		FEEDMO
C=CCC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc(CC)cc2)CC1	ZINC000472588159	561030102	/nfs/dbraw/zinc/03/01/02/561030102.db2.gz	IYAGWDVMOQTISD-IEBWSBKVSA-N	1	1	360.498	2.488	20	30		FEEDMO
C=CC[N@@H+](Cc1cc(=O)c(OC)co1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000472738346	561034104	/nfs/dbraw/zinc/03/41/04/561034104.db2.gz	LPMXDQORJXQIHT-AWEZNQCLSA-N	1	1	367.409	2.373	20	30		FEEDMO
C=CC[N@H+](Cc1cc(=O)c(OC)co1)[C@@H](C)c1cccc(-n2cnnn2)c1	ZINC000472738346	561034105	/nfs/dbraw/zinc/03/41/05/561034105.db2.gz	LPMXDQORJXQIHT-AWEZNQCLSA-N	1	1	367.409	2.373	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@H](C)C1	ZINC000476548217	561122175	/nfs/dbraw/zinc/12/21/75/561122175.db2.gz	RQBKWXLHXRFSEY-SJLPKXTDSA-N	1	1	357.454	2.170	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)[C@H](C)C1	ZINC000476548217	561122176	/nfs/dbraw/zinc/12/21/76/561122176.db2.gz	RQBKWXLHXRFSEY-SJLPKXTDSA-N	1	1	357.454	2.170	20	30		FEEDMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCOc2cccc(C#N)c2)C1	ZINC000477139691	561137684	/nfs/dbraw/zinc/13/76/84/561137684.db2.gz	QHUKYDIADKLOJM-FUHWJXTLSA-N	1	1	359.470	2.190	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)CC1	ZINC000528353688	562324405	/nfs/dbraw/zinc/32/44/05/562324405.db2.gz	URMZEDBTFMOMJL-OALUTQOASA-N	1	1	353.466	2.090	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@H+]2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)CC1	ZINC000528353688	562324406	/nfs/dbraw/zinc/32/44/06/562324406.db2.gz	URMZEDBTFMOMJL-OALUTQOASA-N	1	1	353.466	2.090	20	30		FEEDMO
CC(C)n1cnnc1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1	ZINC000528422936	562328598	/nfs/dbraw/zinc/32/85/98/562328598.db2.gz	GRJLHPQQOPLICB-ZWKOTPCHSA-N	1	1	369.469	2.350	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@H]1C1CCOCC1	ZINC000528442581	562329602	/nfs/dbraw/zinc/32/96/02/562329602.db2.gz	ZLASDCOGUNXICV-IBGZPJMESA-N	1	1	352.434	2.177	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@](O)(c2ccccc2)C1	ZINC000528658524	562340703	/nfs/dbraw/zinc/34/07/03/562340703.db2.gz	PQYKBMBJYVWPSK-TZIWHRDSSA-N	1	1	352.434	2.282	20	30		FEEDMO
N#Cc1cccnc1-n1cc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cn1	ZINC000529061266	562358519	/nfs/dbraw/zinc/35/85/19/562358519.db2.gz	HHDHCNYFSADCOF-QGZVFWFLSA-N	1	1	365.441	2.277	20	30		FEEDMO
CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]C[C@H](O)COc1ccccc1C#N	ZINC000530233565	562403331	/nfs/dbraw/zinc/40/33/31/562403331.db2.gz	WZUUFPFTHXZKIZ-JKSUJKDBSA-N	1	1	355.442	2.138	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](C)C1	ZINC000531044474	562432763	/nfs/dbraw/zinc/43/27/63/562432763.db2.gz	NCVGWPGHHKKQLT-GJZGRUSLSA-N	1	1	374.510	2.477	20	30		FEEDMO
CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1	ZINC000533722269	562516850	/nfs/dbraw/zinc/51/68/50/562516850.db2.gz	MYZOEGDRYYXXSA-INIZCTEOSA-N	1	1	357.454	2.473	20	30		FEEDMO
CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1	ZINC000533722269	562516851	/nfs/dbraw/zinc/51/68/51/562516851.db2.gz	MYZOEGDRYYXXSA-INIZCTEOSA-N	1	1	357.454	2.473	20	30		FEEDMO
COC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1C	ZINC000536598463	562580046	/nfs/dbraw/zinc/58/00/46/562580046.db2.gz	FAHXZGMINFFSNS-UHFFFAOYSA-N	1	1	350.422	2.371	20	30		FEEDMO
C[C@H]1C[NH+](CCOC2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@H](C)O1	ZINC000536916906	562582836	/nfs/dbraw/zinc/58/28/36/562582836.db2.gz	ORGRPZUGAFFRAH-IRXDYDNUSA-N	1	1	371.481	2.289	20	30		FEEDMO
CCC[C@@H]1CN(S(=O)(=O)N(C)CCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000537181758	562587265	/nfs/dbraw/zinc/58/72/65/562587265.db2.gz	LWTAXGAXAPFHQN-GOSISDBHSA-N	1	1	364.515	2.063	20	30		FEEDMO
CCC[C@@H]1CN(S(=O)(=O)N(C)CCC#N)CC[N@H+]1Cc1ccccc1	ZINC000537181758	562587266	/nfs/dbraw/zinc/58/72/66/562587266.db2.gz	LWTAXGAXAPFHQN-GOSISDBHSA-N	1	1	364.515	2.063	20	30		FEEDMO
CC(C)[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1nnc2ccccn21	ZINC000541614227	562616514	/nfs/dbraw/zinc/61/65/14/562616514.db2.gz	XFIUWPSQHSTDFX-LJQANCHMSA-N	1	1	362.437	2.204	20	30		FEEDMO
COc1cc([C@H](C#N)NC(=O)Cn2cc[nH+]c2C(C)C)cc(OC)c1OC	ZINC000602089924	567922435	/nfs/dbraw/zinc/92/24/35/567922435.db2.gz	ZHUBFJHBIIQFSO-AWEZNQCLSA-N	1	1	372.425	2.413	20	30		FEEDMO
N#CC[C@@]1(O)CCN(C(=O)N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)C1	ZINC000602392512	567974913	/nfs/dbraw/zinc/97/49/13/567974913.db2.gz	RHHJVGXQEUKPET-TZIWHRDSSA-N	1	1	370.497	2.491	20	30		FEEDMO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccnc1N1CCN(C)CC1	ZINC000602535063	567992130	/nfs/dbraw/zinc/99/21/30/567992130.db2.gz	XIJPNINHWCAGSL-KRWDZBQOSA-N	1	1	357.502	2.022	20	30		FEEDMO
COc1ccc(CN(C(=O)C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)C2CC2)cc1	ZINC000602857930	568002907	/nfs/dbraw/zinc/00/29/07/568002907.db2.gz	XBRZXINOXJDVNT-IAGOWNOFSA-N	1	1	370.497	2.104	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(Nc2ccccc2C#N)CC1	ZINC000602893244	568004311	/nfs/dbraw/zinc/00/43/11/568004311.db2.gz	DJRKORPPZCJODD-HNNXBMFYSA-N	1	1	351.454	2.386	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1	ZINC000602889952	568006950	/nfs/dbraw/zinc/00/69/50/568006950.db2.gz	XNTWJWDOSLSCKV-QGZVFWFLSA-N	1	1	362.437	2.075	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1	ZINC000602889952	568006952	/nfs/dbraw/zinc/00/69/52/568006952.db2.gz	XNTWJWDOSLSCKV-QGZVFWFLSA-N	1	1	362.437	2.075	20	30		FEEDMO
CC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1CCN(CC(F)(F)F)C1	ZINC000602890637	568007140	/nfs/dbraw/zinc/00/71/40/568007140.db2.gz	BWIAGBFZESQTHP-HUUCEWRRSA-N	1	1	363.424	2.016	20	30		FEEDMO
Cc1ccc(C(=O)NC2CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1	ZINC000602938704	568021211	/nfs/dbraw/zinc/02/12/11/568021211.db2.gz	QYRJHCWLLICWGY-NRFANRHFSA-N	1	1	370.497	2.244	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1	ZINC000602987768	568034036	/nfs/dbraw/zinc/03/40/36/568034036.db2.gz	QOKVNGADSWAAAZ-OFQRWUPVSA-N	1	1	369.387	2.424	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1	ZINC000602987768	568034037	/nfs/dbraw/zinc/03/40/37/568034037.db2.gz	QOKVNGADSWAAAZ-OFQRWUPVSA-N	1	1	369.387	2.424	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)n1cc(C[NH+]2CCCC2)nn1	ZINC000603192555	568072266	/nfs/dbraw/zinc/07/22/66/568072266.db2.gz	OAENCQCWDVEKML-WUJZJPHMSA-N	1	1	358.490	2.366	20	30		FEEDMO
N#CCCN(C(=O)CN1CCC[N@@H+](C[C@@H]2CCCO2)CC1)c1ccccc1	ZINC000603848319	568163351	/nfs/dbraw/zinc/16/33/51/568163351.db2.gz	KTQHBPQHEOGRCI-FQEVSTJZSA-N	1	1	370.497	2.120	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3O)CC2)cc1	ZINC000604468324	568297543	/nfs/dbraw/zinc/29/75/43/568297543.db2.gz	IYJOFFVQBBTJLM-GOSISDBHSA-N	1	1	367.449	2.020	20	30		FEEDMO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCCn1cc[nH+]c1C	ZINC000735418479	598286239	/nfs/dbraw/zinc/28/62/39/598286239.db2.gz	FRUCZSHZERELTH-UHFFFAOYSA-N	1	1	365.441	2.367	20	30		FEEDMO
C[C@@H]1C[NH+]=C(NN=Cc2cc(Br)cc(Br)c2)N1	ZINC000807981139	674436795	/nfs/dbraw/zinc/43/67/95/674436795.db2.gz	HQIRXKCEWAVVSK-SSDOTTSWSA-N	1	1	360.053	2.483	20	30		FEEDMO
CC(C)(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1	ZINC000735602409	598621035	/nfs/dbraw/zinc/62/10/35/598621035.db2.gz	PMHRWLQVSPKNPC-UHFFFAOYSA-N	1	1	355.446	2.457	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(F)cc2-c2nn[nH]n2)c1	ZINC000735391331	598681521	/nfs/dbraw/zinc/68/15/21/598681521.db2.gz	PQNYYEFYIXWHIN-UHFFFAOYSA-N	1	1	364.384	2.058	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(F)cc2-c2nn[nH]n2)c1	ZINC000735391331	598681522	/nfs/dbraw/zinc/68/15/22/598681522.db2.gz	PQNYYEFYIXWHIN-UHFFFAOYSA-N	1	1	364.384	2.058	20	30		FEEDMO
CC(C)CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1	ZINC000820076539	599640072	/nfs/dbraw/zinc/64/00/72/599640072.db2.gz	LNSOSGUMAAWIIV-UHFFFAOYSA-N	1	1	355.446	2.457	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000736763346	600566018	/nfs/dbraw/zinc/56/60/18/600566018.db2.gz	WYDAACZCILKAAQ-FUHIMQAGSA-N	1	1	370.497	2.174	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1	ZINC000736763346	600566021	/nfs/dbraw/zinc/56/60/21/600566021.db2.gz	WYDAACZCILKAAQ-FUHIMQAGSA-N	1	1	370.497	2.174	20	30		FEEDMO
Cc1c(Cl)cnc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1C#N	ZINC000558981897	674522794	/nfs/dbraw/zinc/52/27/94/674522794.db2.gz	QVHMMXYNVRXHIQ-MRXNPFEDSA-N	1	1	356.857	2.746	20	30		FEEDMO
N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1	ZINC000822801930	606072549	/nfs/dbraw/zinc/07/25/49/606072549.db2.gz	RMCWVSAVIKAFQG-IBGZPJMESA-N	1	1	359.437	2.249	20	30		FEEDMO
C[C@H](CC#N)[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2	ZINC000820220280	606660369	/nfs/dbraw/zinc/66/03/69/606660369.db2.gz	QBJMHSJVSHKAKM-LLVKDONJSA-N	1	1	373.486	2.370	20	30		FEEDMO
C[C@H](CC#N)[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2	ZINC000820220280	606660370	/nfs/dbraw/zinc/66/03/70/606660370.db2.gz	QBJMHSJVSHKAKM-LLVKDONJSA-N	1	1	373.486	2.370	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1c1ncc(C#N)cc1Cl	ZINC001048710821	675013485	/nfs/dbraw/zinc/01/34/85/675013485.db2.gz	IXGAWHIAXGWMGC-VNQPRFMTSA-N	1	1	361.877	2.032	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccncc3Cl)C[C@@H]2C1	ZINC001049069320	675022293	/nfs/dbraw/zinc/02/22/93/675022293.db2.gz	BHYSEFBWVDNFNY-HPFXQQBRSA-N	1	1	361.873	2.216	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncc(C)s3)C[C@@H]2C1	ZINC001049110835	675023200	/nfs/dbraw/zinc/02/32/00/675023200.db2.gz	AWODBHLSUGLVJD-DFGXFYAUSA-N	1	1	361.511	2.323	20	30		FEEDMO
C=CCN1C(=S)N=NC1c1sc(NC(=O)C[N@H+](C)C(C)C)nc1C	ZINC000063466209	670407392	/nfs/dbraw/zinc/40/73/92/670407392.db2.gz	ZKLIDSNYMAVFJV-UHFFFAOYSA-N	1	1	366.516	2.463	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)N1CCC(CCC#N)CC1)[NH+]1CCOCC1	ZINC000570205824	670677745	/nfs/dbraw/zinc/67/77/45/670677745.db2.gz	MNUQMRPUECIAHG-SFHVURJKSA-N	1	1	350.507	2.459	20	30		FEEDMO
N#CCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccccc1	ZINC000565619086	675137351	/nfs/dbraw/zinc/13/73/51/675137351.db2.gz	FTTGOFQVLMYJPV-QGZVFWFLSA-N	1	1	354.435	2.362	20	30		FEEDMO
C=CCn1c(C)nn(CN2CCN(c3cc(OC)cc[nH+]3)CC2)c1=S	ZINC000104654677	670795545	/nfs/dbraw/zinc/79/55/45/670795545.db2.gz	JEGKTRAMGRXWIT-UHFFFAOYSA-N	1	1	360.487	2.092	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)cc1	ZINC000573507197	671131245	/nfs/dbraw/zinc/13/12/45/671131245.db2.gz	SKJCRRQTVALJPH-GOSISDBHSA-N	1	1	359.426	2.174	20	30		FEEDMO
CCc1ccc([C@H](CNS(=O)(=O)c2cncc(C#N)c2)[NH+](C)C)cc1	ZINC000578805277	671690342	/nfs/dbraw/zinc/69/03/42/671690342.db2.gz	GCZQRKVKDMJYOF-SFHVURJKSA-N	1	1	358.467	2.097	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1cccnc1C#N)c1ccc(Cl)cc1	ZINC000580508257	671813105	/nfs/dbraw/zinc/81/31/05/671813105.db2.gz	UEFQBLIDOQVTSY-OAHLLOKOSA-N	1	1	364.858	2.188	20	30		FEEDMO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C[N@H+](CC)CCC)c1	ZINC000581283892	671881303	/nfs/dbraw/zinc/88/13/03/671881303.db2.gz	UMLRGIZHAUGNQB-OAHLLOKOSA-N	1	1	367.515	2.001	20	30		FEEDMO
O=C(NCC[NH2+]Cc1cc(F)ccc1Br)C1N=CC=CC1=O	ZINC000121585535	671952944	/nfs/dbraw/zinc/95/29/44/671952944.db2.gz	ZXZFPSFUYXKEQU-CCEZHUSRSA-N	1	1	368.206	2.204	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1	ZINC000583126176	672065681	/nfs/dbraw/zinc/06/56/81/672065681.db2.gz	RBNHXQHRONNIJX-GFCCVEGCSA-N	1	1	362.499	2.314	20	30		FEEDMO
CS(=O)(=O)c1cccc(OCCO[NH+]=C(N)CCc2ccccc2)c1	ZINC000153705161	672203342	/nfs/dbraw/zinc/20/33/42/672203342.db2.gz	UBDDRJSEPSUJHI-UHFFFAOYSA-N	1	1	362.451	2.391	20	30		FEEDMO
C#CC[N@H+](CCOc1ccc(S(=O)(=O)N(C)C)cc1)C1CCCC1	ZINC000155816400	672239070	/nfs/dbraw/zinc/23/90/70/672239070.db2.gz	LUYONMYAZWGHCG-UHFFFAOYSA-N	1	1	350.484	2.194	20	30		FEEDMO
C[N@H+]1C[C@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)[C@H]2C1	ZINC000590010705	672554621	/nfs/dbraw/zinc/55/46/21/672554621.db2.gz	BYSIAHYLNUKLTM-CJNGLKHVSA-N	1	1	358.511	2.463	20	30		FEEDMO
CN1C[C@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)[C@H]2C1	ZINC000590010705	672554623	/nfs/dbraw/zinc/55/46/23/672554623.db2.gz	BYSIAHYLNUKLTM-CJNGLKHVSA-N	1	1	358.511	2.463	20	30		FEEDMO
CN1C[C@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)[C@H]2C1	ZINC000590010705	672554626	/nfs/dbraw/zinc/55/46/26/672554626.db2.gz	BYSIAHYLNUKLTM-CJNGLKHVSA-N	1	1	358.511	2.463	20	30		FEEDMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000611320349	676031975	/nfs/dbraw/zinc/03/19/75/676031975.db2.gz	HABZGKHUZSHOEM-CLCXKQKWSA-N	1	1	351.491	2.341	20	30		FEEDMO
C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)C1	ZINC000590278486	672569907	/nfs/dbraw/zinc/56/99/07/672569907.db2.gz	LGEHGXVICQYBSZ-FZMZJTMJSA-N	1	1	360.483	2.018	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@H]1C	ZINC000590684801	672601727	/nfs/dbraw/zinc/60/17/27/672601727.db2.gz	SLXOKWJANFNHDY-GFCCVEGCSA-N	1	1	366.259	2.252	20	30		FEEDMO
CSc1ccc(OC[C@H](O)C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1	ZINC000591020221	672642300	/nfs/dbraw/zinc/64/23/00/672642300.db2.gz	UVBYLGULBNRAEG-VQIMIIECSA-N	1	1	363.527	2.314	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)cc1C#N	ZINC000591261052	672662867	/nfs/dbraw/zinc/66/28/67/672662867.db2.gz	HUIABVFTVYHWJJ-UHFFFAOYSA-N	1	1	362.499	2.218	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)cc1C#N	ZINC000591261052	672662870	/nfs/dbraw/zinc/66/28/70/672662870.db2.gz	HUIABVFTVYHWJJ-UHFFFAOYSA-N	1	1	362.499	2.218	20	30		FEEDMO
CCC(CC)[C@@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)[NH+]1CCOCC1	ZINC000612099548	676068785	/nfs/dbraw/zinc/06/87/85/676068785.db2.gz	YVGHFUARUVVQAA-MJGOQNOKSA-N	1	1	350.507	2.459	20	30		FEEDMO
C[NH+]=C(NCC1(N(C)C)CCOCC1)N1CCSC2(CCCCC2)C1	ZINC000261770719	672903266	/nfs/dbraw/zinc/90/32/66/672903266.db2.gz	OBQMNLRVAZSMOY-UHFFFAOYSA-N	1	1	368.591	2.424	20	30		FEEDMO
C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1ccc(Br)cc1C#N	ZINC000593572959	672947427	/nfs/dbraw/zinc/94/74/27/672947427.db2.gz	QZELZPHDPLQFNW-RYUDHWBXSA-N	1	1	350.260	2.414	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1	ZINC000288997567	672987850	/nfs/dbraw/zinc/98/78/50/672987850.db2.gz	YXSFEZBTESLWPA-QGZVFWFLSA-N	1	1	350.484	2.165	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cc([N+](=O)[O-])ccc2Br)CC1	ZINC000318049175	673035729	/nfs/dbraw/zinc/03/57/29/673035729.db2.gz	BLLLQHLEMCMIIO-UHFFFAOYSA-N	1	1	367.203	2.075	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl	ZINC000594326950	673059014	/nfs/dbraw/zinc/05/90/14/673059014.db2.gz	SNMWHQXYWKVISU-HZPDHXFCSA-N	1	1	360.845	2.283	20	30		FEEDMO
C[N@@H+](CCNC(=O)c1cccc(N2CCCS2(=O)=O)c1)C1CCCC1	ZINC000329126640	673072912	/nfs/dbraw/zinc/07/29/12/673072912.db2.gz	YPXDGEDILKLCPX-UHFFFAOYSA-N	1	1	365.499	2.406	20	30		FEEDMO
CC(C)C(=O)N1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1	ZINC000329634129	673080482	/nfs/dbraw/zinc/08/04/82/673080482.db2.gz	XASYCYOFQYNXJR-QGZVFWFLSA-N	1	1	350.507	2.154	20	30		FEEDMO
CCC(C)(C)[NH+]1CCN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC1	ZINC000594474800	673081561	/nfs/dbraw/zinc/08/15/61/673081561.db2.gz	LODRMZVKAOKWEN-UHFFFAOYSA-N	1	1	353.463	2.333	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1Cl	ZINC000595828941	673328559	/nfs/dbraw/zinc/32/85/59/673328559.db2.gz	NUUCEHAYDBUOBS-CYBMUJFWSA-N	1	1	360.845	2.094	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1Cl	ZINC000595828941	673328562	/nfs/dbraw/zinc/32/85/62/673328562.db2.gz	NUUCEHAYDBUOBS-CYBMUJFWSA-N	1	1	360.845	2.094	20	30		FEEDMO
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2	ZINC000613433624	676128864	/nfs/dbraw/zinc/12/88/64/676128864.db2.gz	BCOQLVFXIWUVSZ-CQSZACIVSA-N	1	1	350.488	2.319	20	30		FEEDMO
C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2	ZINC000613433624	676128866	/nfs/dbraw/zinc/12/88/66/676128866.db2.gz	BCOQLVFXIWUVSZ-CQSZACIVSA-N	1	1	350.488	2.319	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@H]1CC1(C)C	ZINC000595910946	673337522	/nfs/dbraw/zinc/33/75/22/673337522.db2.gz	UTJURRNTZBSBJD-HZPDHXFCSA-N	1	1	360.527	2.435	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2Br)CC1	ZINC000732757629	673380910	/nfs/dbraw/zinc/38/09/10/673380910.db2.gz	SCOITKKAFPEHBZ-CQSZACIVSA-N	1	1	365.271	2.384	20	30		FEEDMO
C[C@@H](C(=O)NC1(c2cccc(C#N)c2)CCOCC1)[NH+]1CCSCC1	ZINC000598249621	673552124	/nfs/dbraw/zinc/55/21/24/673552124.db2.gz	QTIXESAGTRDKFB-HNNXBMFYSA-N	1	1	359.495	2.117	20	30		FEEDMO
C[C@H]1CC(N=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC[N@H+]1C	ZINC000741454416	673687557	/nfs/dbraw/zinc/68/75/57/673687557.db2.gz	FDNSYJBITORTNU-AWEZNQCLSA-N	1	1	365.503	2.138	20	30		FEEDMO
N#CCCCNC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000544137127	673693489	/nfs/dbraw/zinc/69/34/89/673693489.db2.gz	QJUNVBPBBYUGMD-UHFFFAOYSA-N	1	1	363.893	2.455	20	30		FEEDMO
CC(C)[C@@H](CNc1cc(C#N)c(Br)cn1)N1CC[NH+](C)CC1	ZINC000603270556	673920749	/nfs/dbraw/zinc/92/07/49/673920749.db2.gz	JYEBZBQYJKCFOW-OAHLLOKOSA-N	1	1	366.307	2.400	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CC[C@@H]1CCCN1C(=O)OC(C)(C)C	ZINC000818602784	675227878	/nfs/dbraw/zinc/22/78/78/675227878.db2.gz	FCCFFFUTYLMRDE-INIZCTEOSA-N	1	1	351.491	2.237	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)nn1	ZINC000819382934	675286958	/nfs/dbraw/zinc/28/69/58/675286958.db2.gz	SNZSTLBODHCWEF-HNNXBMFYSA-N	1	1	369.238	2.363	20	30		FEEDMO
C#C[C@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)c1ccc(Cl)cc1F	ZINC000820749409	675384991	/nfs/dbraw/zinc/38/49/91/675384991.db2.gz	AMCRRSUQDMIMBT-IGCXYCKISA-N	1	1	367.852	2.250	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1CC#N)c1cccc(F)c1	ZINC000619572074	676385577	/nfs/dbraw/zinc/38/55/77/676385577.db2.gz	MFOCSUWGXYJSIJ-QGZVFWFLSA-N	1	1	361.442	2.473	20	30		FEEDMO
C=CC[NH+]1CCC(NCc2cnn3cc(Br)cnc23)CC1	ZINC000638524825	677146093	/nfs/dbraw/zinc/14/60/93/677146093.db2.gz	SQLUZWRKCUGDBB-UHFFFAOYSA-N	1	1	350.264	2.232	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(F)c2S(C)(=O)=O)CC1	ZINC000640277213	677176916	/nfs/dbraw/zinc/17/69/16/677176916.db2.gz	JLTFDQCEMPDULX-UHFFFAOYSA-N	1	1	369.462	2.391	20	30		FEEDMO
C=CCn1c([C@@H]2CCCS2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1	ZINC000643721896	677229814	/nfs/dbraw/zinc/22/98/14/677229814.db2.gz	MIMVCAPGWSLORH-HOTGVXAUSA-N	1	1	363.531	2.333	20	30		FEEDMO
C=CCn1nnn(CN2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1=S	ZINC000840136089	680801482	/nfs/dbraw/zinc/80/14/82/680801482.db2.gz	SEWMTRCLNSKGLK-INIZCTEOSA-N	1	1	358.515	2.406	20	30		FEEDMO
C=CCC1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CCCC1	ZINC000665111474	678941287	/nfs/dbraw/zinc/94/12/87/678941287.db2.gz	ATBFBSJAOFFLAY-UHFFFAOYSA-N	1	1	351.491	2.056	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H](C)S[C@@H](C)C1	ZINC000669033959	679216149	/nfs/dbraw/zinc/21/61/49/679216149.db2.gz	DSVLZFWZCYZCIH-QXSJWSMHSA-N	1	1	363.531	2.330	20	30		FEEDMO
C[C@@H]1CN(C(=S)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)[N@H+]1CCO	ZINC000840805254	680843880	/nfs/dbraw/zinc/84/38/80/680843880.db2.gz	OHWNXDMDXHTUGD-TXEJJXNPSA-N	1	1	352.891	2.295	20	30		FEEDMO
C[C@@H]1CN(C(=S)Nc2ccc(C#N)c(Cl)c2)C[C@H](C)[N@@H+]1CCO	ZINC000840805254	680843882	/nfs/dbraw/zinc/84/38/82/680843882.db2.gz	OHWNXDMDXHTUGD-TXEJJXNPSA-N	1	1	352.891	2.295	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)CC1	ZINC000747820012	679905116	/nfs/dbraw/zinc/90/51/16/679905116.db2.gz	GZLHNYGTDVAJGC-AWEZNQCLSA-N	1	1	361.873	2.437	20	30		FEEDMO
C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H]2CS(=O)(=O)NC)c1O	ZINC000749970042	680091712	/nfs/dbraw/zinc/09/17/12/680091712.db2.gz	YHQIVFAAFQUUQP-MRXNPFEDSA-N	1	1	368.499	2.033	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@@H](O)c1ccccc1Br	ZINC000832671973	680163588	/nfs/dbraw/zinc/16/35/88/680163588.db2.gz	HBBMOOIMQIQOKH-IUODEOHRSA-N	1	1	368.275	2.175	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@@H](O)c1ccccc1Br	ZINC000832671973	680163590	/nfs/dbraw/zinc/16/35/90/680163590.db2.gz	HBBMOOIMQIQOKH-IUODEOHRSA-N	1	1	368.275	2.175	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccnc(Cl)c3)C[C@H]21	ZINC000978714750	680179211	/nfs/dbraw/zinc/17/92/11/680179211.db2.gz	GOPBEHKCDJQQGC-MTSZKFMLSA-N	1	1	361.873	2.120	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc(F)c1C#N	ZINC000751499294	680183544	/nfs/dbraw/zinc/18/35/44/680183544.db2.gz	WYXLQTAOUSIYSB-HZSPNIEDSA-N	1	1	353.463	2.342	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1	ZINC000994247761	680230090	/nfs/dbraw/zinc/23/00/90/680230090.db2.gz	XHBGLJYYJNFEFC-BMFZPTHFSA-N	1	1	369.937	2.460	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([C@@H](C)OC)n2)C1	ZINC001022736953	680234495	/nfs/dbraw/zinc/23/44/95/680234495.db2.gz	KHLYLWYVDCMKEN-QUEVPRLRSA-N	1	1	365.499	2.178	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]Cc2nnsc2Cl)C1	ZINC001024164819	680282499	/nfs/dbraw/zinc/28/24/99/680282499.db2.gz	ICFVPMUKRBZESM-SCRDCRAPSA-N	1	1	370.906	2.111	20	30		FEEDMO
COc1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cc(Br)c1O	ZINC000753941351	680325745	/nfs/dbraw/zinc/32/57/45/680325745.db2.gz	YVDXEFYVCCPFFU-TXEJJXNPSA-N	1	1	367.247	2.357	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(OC)ns1	ZINC001027889482	680362299	/nfs/dbraw/zinc/36/22/99/680362299.db2.gz	AFXVQCZHGKMUDY-BMFZPTHFSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(OC)ns1	ZINC001027889482	680362300	/nfs/dbraw/zinc/36/23/00/680362300.db2.gz	AFXVQCZHGKMUDY-BMFZPTHFSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2snnc2C)C1	ZINC001029864953	680394701	/nfs/dbraw/zinc/39/47/01/680394701.db2.gz	UMQYQRPQSCYMJT-ZOBUZTSGSA-N	1	1	364.515	2.108	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)NC2CN(CC#Cc3ccccc3Cl)C2)CC[N@H+]1C	ZINC001030339167	680398079	/nfs/dbraw/zinc/39/80/79/680398079.db2.gz	JOLIZTOGJKGHSK-PKOBYXMFSA-N	1	1	359.901	2.222	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCC2CCCC2)CCO1	ZINC001035369815	680444485	/nfs/dbraw/zinc/44/44/85/680444485.db2.gz	ARPWVVGXBWNHKI-OTWHNJEPSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1	ZINC001040312011	680471228	/nfs/dbraw/zinc/47/12/28/680471228.db2.gz	YRARYKRMHLMETR-IMBTUZDBSA-N	1	1	368.905	2.105	20	30		FEEDMO
C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)C1	ZINC001040312011	680471229	/nfs/dbraw/zinc/47/12/29/680471229.db2.gz	YRARYKRMHLMETR-IMBTUZDBSA-N	1	1	368.905	2.105	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2snc(C)c2C#N)C[C@H]1C	ZINC001042008319	680518447	/nfs/dbraw/zinc/51/84/47/680518447.db2.gz	UEGQMXBOXGZZRT-DAXOMENPSA-N	1	1	361.515	2.139	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758199813	680561358	/nfs/dbraw/zinc/56/13/58/680561358.db2.gz	DGJUGPCXPXFBHH-CVEARBPZSA-N	1	1	351.491	2.284	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758199813	680561363	/nfs/dbraw/zinc/56/13/63/680561363.db2.gz	DGJUGPCXPXFBHH-CVEARBPZSA-N	1	1	351.491	2.284	20	30		FEEDMO
Cc1nsc(N[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)c1C#N	ZINC001043513000	680585323	/nfs/dbraw/zinc/58/53/23/680585323.db2.gz	GGNXDUSQNJIXCC-IUODEOHRSA-N	1	1	361.515	2.314	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CCN(Cc3ccc(C#N)s3)C2)CC[N@H+]1C	ZINC001046330994	680647317	/nfs/dbraw/zinc/64/73/17/680647317.db2.gz	ZBAAWNISRKKGGG-SCTDSRPQSA-N	1	1	360.527	2.431	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1O	ZINC001047385313	680661943	/nfs/dbraw/zinc/66/19/43/680661943.db2.gz	HERGKDKSUCEWHC-XWSJACJDSA-N	1	1	350.503	2.051	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)[C@]23C[C@H]2COC3)s1	ZINC001049492401	681033382	/nfs/dbraw/zinc/03/33/82/681033382.db2.gz	UNQNKYYFNPWQSM-YUFWVBKYSA-N	1	1	357.479	2.222	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000844372653	681054592	/nfs/dbraw/zinc/05/45/92/681054592.db2.gz	BIOIBQKCKLLDDQ-SCLBCKFNSA-N	1	1	365.861	2.024	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1	ZINC000844372653	681054594	/nfs/dbraw/zinc/05/45/94/681054594.db2.gz	BIOIBQKCKLLDDQ-SCLBCKFNSA-N	1	1	365.861	2.024	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2snnc2C)CC1	ZINC001052389684	681076356	/nfs/dbraw/zinc/07/63/56/681076356.db2.gz	YCWDCGGEOUREEY-XHSDSOJGSA-N	1	1	364.515	2.298	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNc1nc(C#N)c(Cl)s1	ZINC001053653741	681102642	/nfs/dbraw/zinc/10/26/42/681102642.db2.gz	WUBXXALVGQHHKJ-NQBHXWOUSA-N	1	1	367.906	2.269	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@]13C[C@H]1COC3)C2	ZINC001054135293	681106308	/nfs/dbraw/zinc/10/63/08/681106308.db2.gz	YMYDOPQUMAIPQW-XIRDDKMYSA-N	1	1	369.303	2.246	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@]13C[C@H]1COC3)C2	ZINC001054135293	681106310	/nfs/dbraw/zinc/10/63/10/681106310.db2.gz	YMYDOPQUMAIPQW-XIRDDKMYSA-N	1	1	369.303	2.246	20	30		FEEDMO
Cc1nsc(NC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C)c1C#N	ZINC001054426857	681108798	/nfs/dbraw/zinc/10/87/98/681108798.db2.gz	XHEXCRUZGRLDKM-BPLDGKMQSA-N	1	1	361.515	2.171	20	30		FEEDMO
C=C[C@@H](C)ONC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000845627361	681141955	/nfs/dbraw/zinc/14/19/55/681141955.db2.gz	DDXJTOZSYXEAOR-CQSZACIVSA-N	1	1	352.866	2.267	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CC[C@@H](Nc3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001056801894	681156567	/nfs/dbraw/zinc/15/65/67/681156567.db2.gz	PZOJDGKTONWXKK-GMTAPVOTSA-N	1	1	353.879	2.021	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](Cc3cscn3)C[C@H]2CC1	ZINC000946788028	681260980	/nfs/dbraw/zinc/26/09/80/681260980.db2.gz	KNYHCZLMHQQSNG-ATLSCFEFSA-N	1	1	361.511	2.405	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](C3CCOCC3)C2)c1	ZINC000933083422	681360490	/nfs/dbraw/zinc/36/04/90/681360490.db2.gz	HAVNQNBUKIVMQN-SFHVURJKSA-N	1	1	362.495	2.471	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](C3CCOCC3)C2)c1	ZINC000933083422	681360496	/nfs/dbraw/zinc/36/04/96/681360496.db2.gz	HAVNQNBUKIVMQN-SFHVURJKSA-N	1	1	362.495	2.471	20	30		FEEDMO
C[C@@H]1C[NH+]=C(NN=Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)N1	ZINC000777443343	681493881	/nfs/dbraw/zinc/49/38/81/681493881.db2.gz	RZQMCWGUZVUVEN-LLVKDONJSA-N	1	1	350.348	2.221	20	30		FEEDMO
COc1ccccc1[C@@H](CNS(=O)(=O)CC(C)(C)C#N)[NH+]1CCCC1	ZINC000777817490	681534309	/nfs/dbraw/zinc/53/43/09/681534309.db2.gz	JZTXBSFZLLQXQA-MRXNPFEDSA-N	1	1	365.499	2.301	20	30		FEEDMO
CC(C)(C)OC(=O)N[C@H]1CCCC(=NNCCC[NH+]2CCOCC2)C1	ZINC000848410471	681536669	/nfs/dbraw/zinc/53/66/69/681536669.db2.gz	LIDPTXJHKXTTTG-HNNXBMFYSA-N	1	1	354.495	2.122	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@H+](Cc2cnns2)CC1	ZINC000948852139	681601751	/nfs/dbraw/zinc/60/17/51/681601751.db2.gz	IKEKGPZNEFHVOT-XIRDDKMYSA-N	1	1	364.515	2.332	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2cnns2)CC1	ZINC000948852139	681601754	/nfs/dbraw/zinc/60/17/54/681601754.db2.gz	IKEKGPZNEFHVOT-XIRDDKMYSA-N	1	1	364.515	2.332	20	30		FEEDMO
C=CCCC[N@H+](CC)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl	ZINC000934644389	681605373	/nfs/dbraw/zinc/60/53/73/681605373.db2.gz	BNRPRUPTWVPHAI-UHFFFAOYSA-N	1	1	359.879	2.214	20	30		FEEDMO
C=CCCC[N@H+](CC)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000934648419	681605966	/nfs/dbraw/zinc/60/59/66/681605966.db2.gz	OMFVBBZGOONKRZ-LSDHHAIUSA-N	1	1	367.515	2.188	20	30		FEEDMO
CC(N=Nc1cc(Cl)nc(N)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000778544526	681622685	/nfs/dbraw/zinc/62/26/85/681622685.db2.gz	FOPGXDKCRFOBNH-CQSZACIVSA-N	1	1	360.849	2.401	20	30		FEEDMO
CC(N=Nc1cc(Cl)nc(N)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000778544526	681622689	/nfs/dbraw/zinc/62/26/89/681622689.db2.gz	FOPGXDKCRFOBNH-CQSZACIVSA-N	1	1	360.849	2.401	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC1)C[N@@H+](CCCC)CCO2	ZINC000949370591	681636304	/nfs/dbraw/zinc/63/63/04/681636304.db2.gz	ZYXWGEHIJLSCMM-MSOLQXFVSA-N	1	1	350.503	2.461	20	30		FEEDMO
C=C(Br)CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1	ZINC000849512129	681755566	/nfs/dbraw/zinc/75/55/66/681755566.db2.gz	YRPCVYFGWNYREO-GJZGRUSLSA-N	1	1	369.307	2.259	20	30		FEEDMO
C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3OCCO[C@H]3C)CC2)C1	ZINC000961376961	682090923	/nfs/dbraw/zinc/09/09/23/682090923.db2.gz	ULGXFVDXUQJXPU-UHOSZYNNSA-N	1	1	350.503	2.317	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=C1CCSc2ccccc21	ZINC000916309391	685523526	/nfs/dbraw/zinc/52/35/26/685523526.db2.gz	BCPIIGNTRWHHHW-UHFFFAOYSA-N	1	1	364.540	2.073	20	30		FEEDMO
CC(=[NH+]N[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c(F)c1	ZINC000916239924	685522827	/nfs/dbraw/zinc/52/28/27/685522827.db2.gz	RSXHCLKYDGTCID-OAHLLOKOSA-N	1	1	353.463	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)cs3)C[C@H]21	ZINC000961996960	682105998	/nfs/dbraw/zinc/10/59/98/682105998.db2.gz	WTKALSGMSXQZAD-DTJSUFBGSA-N	1	1	361.511	2.369	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)cs3)C[C@H]21	ZINC000961996960	682106000	/nfs/dbraw/zinc/10/60/00/682106000.db2.gz	WTKALSGMSXQZAD-DTJSUFBGSA-N	1	1	361.511	2.369	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1	ZINC000941161952	682108817	/nfs/dbraw/zinc/10/88/17/682108817.db2.gz	JNXSCSLLYWHXKL-UKRRQHHQSA-N	1	1	355.910	2.166	20	30		FEEDMO
C#CCOCCNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000784399829	682222906	/nfs/dbraw/zinc/22/29/06/682222906.db2.gz	DRWUIJBGFUCULR-WMLDXEAASA-N	1	1	367.852	2.421	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=Cc1ccc2ccccc2c1	ZINC000916311786	685523586	/nfs/dbraw/zinc/52/35/86/685523586.db2.gz	RFXFRBSTAXJMJX-UHFFFAOYSA-N	1	1	356.495	2.360	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CCOC2=O)C1	ZINC000852435789	682278543	/nfs/dbraw/zinc/27/85/43/682278543.db2.gz	BEPZPBMXNACAGC-CABCVRRESA-N	1	1	363.483	2.178	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](N2CCOC2=O)C1	ZINC000852435789	682278546	/nfs/dbraw/zinc/27/85/46/682278546.db2.gz	BEPZPBMXNACAGC-CABCVRRESA-N	1	1	363.483	2.178	20	30		FEEDMO
C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3cc(C#N)ccc3Cl)C[C@]2(C)C1	ZINC000918359601	685538770	/nfs/dbraw/zinc/53/87/70/685538770.db2.gz	FAYKWEJERKOZKI-IYBDPMFKSA-N	1	1	353.875	2.174	20	30		FEEDMO
C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1	ZINC000971719240	682369238	/nfs/dbraw/zinc/36/92/38/682369238.db2.gz	JEDJZYQZXLFDEU-RCCFBDPRSA-N	1	1	364.873	2.428	20	30		FEEDMO
C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)C1	ZINC000971719240	682369242	/nfs/dbraw/zinc/36/92/42/682369242.db2.gz	JEDJZYQZXLFDEU-RCCFBDPRSA-N	1	1	364.873	2.428	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCC(C)C)CCO2	ZINC000972391870	682412702	/nfs/dbraw/zinc/41/27/02/682412702.db2.gz	DOIFUWGOLODEHQ-HBFSDRIKSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCC(C)C)CCO2	ZINC000972597998	682425859	/nfs/dbraw/zinc/42/58/59/682425859.db2.gz	YEEVNTWFCPWEPR-CMKODMSKSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CCC[N@@H+](CCOC)CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O	ZINC000853620745	682446449	/nfs/dbraw/zinc/44/64/49/682446449.db2.gz	CDCRTJFBMNZVGZ-AWEZNQCLSA-N	1	1	354.372	2.349	20	30		FEEDMO
C#CCC[N@H+](CCOC)CN1C[C@@H](c2cc(F)c(F)c(F)c2)CC1=O	ZINC000853620745	682446452	/nfs/dbraw/zinc/44/64/52/682446452.db2.gz	CDCRTJFBMNZVGZ-AWEZNQCLSA-N	1	1	354.372	2.349	20	30		FEEDMO
C=CC[C@@]1(C(=O)N2CCC[N@H+](C)CC2)CCCN1C(=O)OC(C)(C)C	ZINC000790110055	682656350	/nfs/dbraw/zinc/65/63/50/682656350.db2.gz	CPNDHZTVTJWKTB-IBGZPJMESA-N	1	1	351.491	2.496	20	30		FEEDMO
CCCCCCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C	ZINC000858112918	682935163	/nfs/dbraw/zinc/93/51/63/682935163.db2.gz	BPEAYMVCPKFQFC-ALOPSCKCSA-N	1	1	352.523	2.340	20	30		FEEDMO
C#CC[C@H](COC)Nc1nc(N[C@@H](CC#C)COC)c2c([nH+]1)CCS2	ZINC000858861267	683008612	/nfs/dbraw/zinc/00/86/12/683008612.db2.gz	VZQFGNWKBYIYML-UONOGXRCSA-N	1	1	360.483	2.025	20	30		FEEDMO
CC1(C)C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@](C)(C(F)(F)F)O1	ZINC000859315470	683081247	/nfs/dbraw/zinc/08/12/47/683081247.db2.gz	DRMRCUJMEVTHTD-DZGCQCFKSA-N	1	1	364.408	2.490	20	30		FEEDMO
CC1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C[C@](C)(C(F)(F)F)O1	ZINC000859315470	683081249	/nfs/dbraw/zinc/08/12/49/683081249.db2.gz	DRMRCUJMEVTHTD-DZGCQCFKSA-N	1	1	364.408	2.490	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C	ZINC000796690681	683186328	/nfs/dbraw/zinc/18/63/28/683186328.db2.gz	VKXCGKPGAJKWMS-CABCVRRESA-N	1	1	350.459	2.273	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)Cc1ccc(OC)c(OC(F)F)c1	ZINC000860529672	683256081	/nfs/dbraw/zinc/25/60/81/683256081.db2.gz	KDVGWSNZSMJBRU-AWEZNQCLSA-N	1	1	353.365	2.480	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000919842036	683302589	/nfs/dbraw/zinc/30/25/89/683302589.db2.gz	KRZYFIWWVWZZRI-QWHCGFSZSA-N	1	1	373.400	2.434	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000798956992	683408497	/nfs/dbraw/zinc/40/84/97/683408497.db2.gz	TXCXHWYLFOSWIP-DNVCBOLYSA-N	1	1	351.491	2.352	20	30		FEEDMO
CCOc1ccc(C(C)=NNCCC[NH+]2CCOCC2)cc1[N+](=O)[O-]	ZINC000799488402	683460309	/nfs/dbraw/zinc/46/03/09/683460309.db2.gz	QUGFBTSFYGSKCA-UHFFFAOYSA-N	1	1	350.419	2.029	20	30		FEEDMO
N#CC[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F	ZINC000930302470	683707520	/nfs/dbraw/zinc/70/75/20/683707520.db2.gz	MGMSAFSLEDEONY-BXKDBHETSA-N	1	1	367.165	2.365	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccc(C#N)cc3Cl)CC2)C1	ZINC000930433854	683731901	/nfs/dbraw/zinc/73/19/01/683731901.db2.gz	DYHSDFFRJIDGMI-OAHLLOKOSA-N	1	1	361.877	2.455	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@@H+]2CCn3ncc(Br)c3C2)cc1	ZINC000931034978	683821925	/nfs/dbraw/zinc/82/19/25/683821925.db2.gz	VROSGEWFCMQLGO-UHFFFAOYSA-N	1	1	373.254	2.471	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@H+]2CCn3ncc(Br)c3C2)cc1	ZINC000931034978	683821928	/nfs/dbraw/zinc/82/19/28/683821928.db2.gz	VROSGEWFCMQLGO-UHFFFAOYSA-N	1	1	373.254	2.471	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000865007107	683921992	/nfs/dbraw/zinc/92/19/92/683921992.db2.gz	NACYAZOKESTFCR-GXTWGEPZSA-N	1	1	357.882	2.375	20	30		FEEDMO
C=C(Cl)C[C@H]1NC(=O)N(C[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1=O	ZINC000865313059	683966696	/nfs/dbraw/zinc/96/66/96/683966696.db2.gz	WIMACPCIASQBHB-GDBMZVCRSA-N	1	1	363.845	2.333	20	30		FEEDMO
C=C(Cl)C[C@H]1NC(=O)N(C[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1=O	ZINC000865313059	683966699	/nfs/dbraw/zinc/96/66/99/683966699.db2.gz	WIMACPCIASQBHB-GDBMZVCRSA-N	1	1	363.845	2.333	20	30		FEEDMO
CC1(C)CC(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000931204870	684240451	/nfs/dbraw/zinc/24/04/51/684240451.db2.gz	RTXYEYSPOVOPEE-UHFFFAOYSA-N	1	1	360.483	2.038	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2cnc3ncc(Br)cc3c2)C1	ZINC000923563246	684306137	/nfs/dbraw/zinc/30/61/37/684306137.db2.gz	COCOQROXRGWBLC-HNNXBMFYSA-N	1	1	373.254	2.220	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnc3ncc(Br)cc3c2)C1	ZINC000923563246	684306144	/nfs/dbraw/zinc/30/61/44/684306144.db2.gz	COCOQROXRGWBLC-HNNXBMFYSA-N	1	1	373.254	2.220	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(OCCOC)cc2Cl)C1	ZINC000923566659	684307125	/nfs/dbraw/zinc/30/71/25/684307125.db2.gz	SCNCLVZPNFDJRA-AWEZNQCLSA-N	1	1	350.846	2.193	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(OCCOC)cc2Cl)C1	ZINC000923566659	684307128	/nfs/dbraw/zinc/30/71/28/684307128.db2.gz	SCNCLVZPNFDJRA-AWEZNQCLSA-N	1	1	350.846	2.193	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H]1COCCC1(OC)OC	ZINC000931672048	684325994	/nfs/dbraw/zinc/32/59/94/684325994.db2.gz	STHVTRXDMRYGEY-GDBMZVCRSA-N	1	1	368.499	2.019	20	30		FEEDMO
N#CC1(C[C@@H](O)C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CCOCC1	ZINC000931908765	684368073	/nfs/dbraw/zinc/36/80/73/684368073.db2.gz	BWAVUCBSYVBIFW-OCCSQVGLSA-N	1	1	350.356	2.424	20	30		FEEDMO
N#CC1(C[C@@H](O)C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CCOCC1	ZINC000931908766	684368151	/nfs/dbraw/zinc/36/81/51/684368151.db2.gz	BWAVUCBSYVBIFW-TZMCWYRMSA-N	1	1	350.356	2.424	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21	ZINC000868521134	684505445	/nfs/dbraw/zinc/50/54/45/684505445.db2.gz	QEOLRYKUYKZTLB-RDBSUJKOSA-N	1	1	357.882	2.185	20	30		FEEDMO
C#CC[N@@H+](C)CCCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C1=O	ZINC000925312118	684548946	/nfs/dbraw/zinc/54/89/46/684548946.db2.gz	GMAPNZWWHZTNLM-CQSZACIVSA-N	1	1	353.344	2.253	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2nccc(C)c2Br)CC1	ZINC000876634327	686233993	/nfs/dbraw/zinc/23/39/93/686233993.db2.gz	ONQHKERCKNWOKJ-UHFFFAOYSA-N	1	1	350.260	2.114	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)[C@H]1NCCc2cc(C#N)ccc21)c1cccs1	ZINC000876710152	686249892	/nfs/dbraw/zinc/24/98/92/686249892.db2.gz	FLAHNLONRGIJOU-AEFFLSMTSA-N	1	1	354.479	2.226	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1	ZINC000879576985	686861550	/nfs/dbraw/zinc/86/15/50/686861550.db2.gz	ZFHWMNLAXOVHKF-WWGRRREGSA-N	1	1	358.511	2.461	20	30		FEEDMO
C#CCOCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1	ZINC000880025988	686977859	/nfs/dbraw/zinc/97/78/59/686977859.db2.gz	CUKKOAFOQKRKAF-CHWSQXEVSA-N	1	1	350.381	2.271	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883096601	687563724	/nfs/dbraw/zinc/56/37/24/687563724.db2.gz	MAEWWFSYGZNHJO-NOZJJQNGSA-N	1	1	364.247	2.320	20	30		FEEDMO
C#CC[N@H+](CCC(=O)NC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886427657	688254446	/nfs/dbraw/zinc/25/44/46/688254446.db2.gz	RTKGFFGCUDPAJS-UHFFFAOYSA-N	1	1	351.491	2.236	20	30		FEEDMO
Cc1csc(C[C@@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)n1	ZINC000886696717	688291489	/nfs/dbraw/zinc/29/14/89/688291489.db2.gz	UVRCUIVAJKPDSX-INIZCTEOSA-N	1	1	359.499	2.362	20	30		FEEDMO
Cc1csc(C[C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)n1	ZINC000886696717	688291493	/nfs/dbraw/zinc/29/14/93/688291493.db2.gz	UVRCUIVAJKPDSX-INIZCTEOSA-N	1	1	359.499	2.362	20	30		FEEDMO
C=CCC1(O)CC[NH+](CC(=O)NCc2ccc(OC(F)F)cc2)CC1	ZINC000886761949	688302864	/nfs/dbraw/zinc/30/28/64/688302864.db2.gz	NYXMJXKRKVETFU-UHFFFAOYSA-N	1	1	354.397	2.307	20	30		FEEDMO
C=CCC1(O)CC[NH+](CC(=O)NCCOc2cccc(Cl)c2)CC1	ZINC000886766433	688304502	/nfs/dbraw/zinc/30/45/02/688304502.db2.gz	KCZBDNCXNWNSPY-UHFFFAOYSA-N	1	1	352.862	2.238	20	30		FEEDMO
C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1	ZINC000887921413	688520515	/nfs/dbraw/zinc/52/05/15/688520515.db2.gz	GPLIQJDZMNCFKZ-LBTNJELSSA-N	1	1	371.909	2.432	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(C)CC[N@@H+](C)CC1	ZINC000888983785	688715558	/nfs/dbraw/zinc/71/55/58/688715558.db2.gz	POKMTDMQPMEXMF-UHFFFAOYSA-N	1	1	356.495	2.401	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)N1CCN(C)CC[N@H+](C)CC1	ZINC000888983785	688715561	/nfs/dbraw/zinc/71/55/61/688715561.db2.gz	POKMTDMQPMEXMF-UHFFFAOYSA-N	1	1	356.495	2.401	20	30		FEEDMO
C#CCSCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000889906557	688848112	/nfs/dbraw/zinc/84/81/12/688848112.db2.gz	GIRUTZHBTKMCDS-ROUUACIJSA-N	1	1	351.560	2.148	20	30		FEEDMO
N#Cc1cc(NC[C@@H]2CC[N@H+]2C2CCOCC2)ncc1Br	ZINC000896526079	689885190	/nfs/dbraw/zinc/88/51/90/689885190.db2.gz	SAZHWYKAKSHVNT-ZDUSSCGKSA-N	1	1	351.248	2.381	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C	ZINC000896540835	689888876	/nfs/dbraw/zinc/88/88/76/689888876.db2.gz	YUNJPHPNQNWHHI-XJKSGUPXSA-N	1	1	356.495	2.446	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(Br)c1	ZINC000897221948	689990805	/nfs/dbraw/zinc/99/08/05/689990805.db2.gz	QPNPQNPNVLOGNC-CVEARBPZSA-N	1	1	350.260	2.356	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1	ZINC000897221948	689990806	/nfs/dbraw/zinc/99/08/06/689990806.db2.gz	QPNPQNPNVLOGNC-CVEARBPZSA-N	1	1	350.260	2.356	20	30		FEEDMO
C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1	ZINC000900788460	690562003	/nfs/dbraw/zinc/56/20/03/690562003.db2.gz	BACKOSAZNFGAIH-KXBFYZLASA-N	1	1	355.463	2.358	20	30		FEEDMO
Brc1cnc2c(c1)C(=NNCCC[NH+]1CCOCC1)CCC2	ZINC000901234424	690628223	/nfs/dbraw/zinc/62/82/23/690628223.db2.gz	ITUIYJQHKDVABQ-UHFFFAOYSA-N	1	1	367.291	2.196	20	30		FEEDMO
N#Cc1csc(C[NH2+]C[C@H](O)COc2cccc(Br)c2)n1	ZINC000905655351	691157344	/nfs/dbraw/zinc/15/73/44/691157344.db2.gz	MFOBBGWVUHEQPN-LBPRGKRZSA-N	1	1	368.256	2.307	20	30		FEEDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncc(Cl)nc1C#N)CC2	ZINC001164646179	719308392	/nfs/dbraw/zinc/30/83/92/719308392.db2.gz	BZMZEELTYZGSBF-UHFFFAOYSA-N	1	1	359.865	2.403	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3cc(C#N)c4ccccc4n3)CC[C@H]2C1	ZINC001164861764	720874656	/nfs/dbraw/zinc/87/46/56/720874656.db2.gz	QFVNZQMSECEMHY-JXFKEZNVSA-N	1	1	366.465	2.280	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3nc4c(cc3C#N)CCCC4)CC[C@@H]2C1	ZINC001164863761	720875256	/nfs/dbraw/zinc/87/52/56/720875256.db2.gz	UDPSRJJHPXKTGK-XLIONFOSSA-N	1	1	370.497	2.006	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc(Cl)c4C#N)C[C@@H]3C2)cn1	ZINC001164762805	721095740	/nfs/dbraw/zinc/09/57/40/721095740.db2.gz	FIEFEWZCECTACI-CABCVRRESA-N	1	1	356.861	2.298	20	30		FEEDMO
C=CCOc1cc(C)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1	ZINC001164769911	721137733	/nfs/dbraw/zinc/13/77/33/721137733.db2.gz	PZLTUMGWYZNNGK-ZWKOTPCHSA-N	1	1	368.485	2.042	20	30		FEEDMO
Cc1cc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ncc1C#N	ZINC001164892487	721404015	/nfs/dbraw/zinc/40/40/15/721404015.db2.gz	YKPSUCLYMANKFH-CTNGQTDRSA-N	1	1	369.513	2.027	20	30		FEEDMO
C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1	ZINC000549677303	674057212	/nfs/dbraw/zinc/05/72/12/674057212.db2.gz	VEHXVIPVWJKSCQ-INIZCTEOSA-N	1	1	359.499	2.027	20	30		FEEDMO
C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1	ZINC000549677303	674057217	/nfs/dbraw/zinc/05/72/17/674057217.db2.gz	VEHXVIPVWJKSCQ-INIZCTEOSA-N	1	1	359.499	2.027	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C1CC1	ZINC000012328200	539555702	/nfs/dbraw/zinc/55/57/02/539555702.db2.gz	JYNREGTWCSNMCG-MGPUTAFESA-N	1	1	354.454	2.146	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C1CC1	ZINC000012328200	539555705	/nfs/dbraw/zinc/55/57/05/539555705.db2.gz	JYNREGTWCSNMCG-MGPUTAFESA-N	1	1	354.454	2.146	20	30		FEEDMO
Cc1cc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)no1	ZINC000028752452	539836577	/nfs/dbraw/zinc/83/65/77/539836577.db2.gz	UBASSAGUVIIFKG-UHFFFAOYSA-N	1	1	367.409	2.144	20	30		FEEDMO
Cc1nc(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)ccc1C#N	ZINC000032728340	539948757	/nfs/dbraw/zinc/94/87/57/539948757.db2.gz	FVIQEBSODUITTM-MRXNPFEDSA-N	1	1	363.465	2.202	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCCn3cccn3)CC2)cc1	ZINC000045714679	540223081	/nfs/dbraw/zinc/22/30/81/540223081.db2.gz	LKGIRDAXDBROIV-UHFFFAOYSA-N	1	1	366.469	2.062	20	30		FEEDMO
C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)Cc1cccc(C#N)c1	ZINC000046518722	540260792	/nfs/dbraw/zinc/26/07/92/540260792.db2.gz	JWVBKIVETICLLI-QAPCUYQASA-N	1	1	365.433	2.335	20	30		FEEDMO
C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000046518722	540260797	/nfs/dbraw/zinc/26/07/97/540260797.db2.gz	JWVBKIVETICLLI-QAPCUYQASA-N	1	1	365.433	2.335	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1	ZINC000048159990	540348366	/nfs/dbraw/zinc/34/83/66/540348366.db2.gz	PXRYHNSIEGVJLO-SFHVURJKSA-N	1	1	374.485	2.081	20	30		FEEDMO
CC1CCN(C(=O)C2CC[NH+](CC(=O)NC3(C#N)CCCCC3)CC2)CC1	ZINC000052157695	540456443	/nfs/dbraw/zinc/45/64/43/540456443.db2.gz	GHNHEKLXOFVGMM-UHFFFAOYSA-N	1	1	374.529	2.300	20	30		FEEDMO
CCOCCCNC(=O)[C@@H](C)[N@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000052800178	540489559	/nfs/dbraw/zinc/48/95/59/540489559.db2.gz	OXRTVGRYRDHDTO-QGZVFWFLSA-N	1	1	358.486	2.002	20	30		FEEDMO
Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN(c2ccc(C#N)cn2)CC1	ZINC000060481048	541113985	/nfs/dbraw/zinc/11/39/85/541113985.db2.gz	IKILULOJOOJNBJ-IBGZPJMESA-N	1	1	366.465	2.132	20	30		FEEDMO
COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)n2ccsc2n1	ZINC000063754528	541183908	/nfs/dbraw/zinc/18/39/08/541183908.db2.gz	IBIXHXHZKVJIGM-UHFFFAOYSA-N	1	1	354.435	2.276	20	30		FEEDMO
COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(=O)n2ccsc2n1	ZINC000063754528	541183909	/nfs/dbraw/zinc/18/39/09/541183909.db2.gz	IBIXHXHZKVJIGM-UHFFFAOYSA-N	1	1	354.435	2.276	20	30		FEEDMO
CC(C)[N@@H+]1CCc2nc(NC(=O)CNc3ccc(C#N)cn3)sc2C1	ZINC000541460537	541211780	/nfs/dbraw/zinc/21/17/80/541211780.db2.gz	HEFICTICCMEABF-UHFFFAOYSA-N	1	1	356.455	2.227	20	30		FEEDMO
CC(C)[N@H+]1CCc2nc(NC(=O)CNc3ccc(C#N)cn3)sc2C1	ZINC000541460537	541211784	/nfs/dbraw/zinc/21/17/84/541211784.db2.gz	HEFICTICCMEABF-UHFFFAOYSA-N	1	1	356.455	2.227	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCCc2nc(-c3cccs3)no2)CC1	ZINC000064443668	541205937	/nfs/dbraw/zinc/20/59/37/541205937.db2.gz	OBHFCMXJDSYSKE-UHFFFAOYSA-N	1	1	358.467	2.288	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437460	541318824	/nfs/dbraw/zinc/31/88/24/541318824.db2.gz	MWDLISHKAKUIJU-QGZVFWFLSA-N	1	1	353.470	2.054	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437460	541318827	/nfs/dbraw/zinc/31/88/27/541318827.db2.gz	MWDLISHKAKUIJU-QGZVFWFLSA-N	1	1	353.470	2.054	20	30		FEEDMO
Cc1occc1C(=O)NC1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000066891650	541386705	/nfs/dbraw/zinc/38/67/05/541386705.db2.gz	TYRTVDZZFOQROH-XOBRGWDASA-N	1	1	374.485	2.225	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[N@H+]1C	ZINC000542960255	541509247	/nfs/dbraw/zinc/50/92/47/541509247.db2.gz	VPSHLDPLGSQGSM-JSGCOSHPSA-N	1	1	356.405	2.487	20	30		FEEDMO
COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(C#N)cc1	ZINC000069072106	541654030	/nfs/dbraw/zinc/65/40/30/541654030.db2.gz	ZKYIQHKKQAWWSL-HXUWFJFHSA-N	1	1	365.433	2.318	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C	ZINC000069500704	541691421	/nfs/dbraw/zinc/69/14/21/541691421.db2.gz	FAKDNDXNOUSMDV-IEBWSBKVSA-N	1	1	359.470	2.189	20	30		FEEDMO
CCC[C@H]1[C@H](C)CCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000072776499	541863889	/nfs/dbraw/zinc/86/38/89/541863889.db2.gz	AUBNHCIYIRECTM-QAPCUYQASA-N	1	1	373.501	2.404	20	30		FEEDMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1	ZINC000073306657	541942017	/nfs/dbraw/zinc/94/20/17/541942017.db2.gz	DABOSYQIGUUQFW-CQSZACIVSA-N	1	1	366.421	2.464	20	30		FEEDMO
COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2ccc(C#N)s2)cc1	ZINC000551199683	674130241	/nfs/dbraw/zinc/13/02/41/674130241.db2.gz	KBPHHGSEFKHVQY-OAHLLOKOSA-N	1	1	365.480	2.210	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1	ZINC000076333663	542262006	/nfs/dbraw/zinc/26/20/06/542262006.db2.gz	NSRRVZOUTOOPKJ-ZIAGYGMSSA-N	1	1	372.494	2.230	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C1	ZINC000076672135	542311133	/nfs/dbraw/zinc/31/11/33/542311133.db2.gz	XIQVFDHNPCFHCG-MRXNPFEDSA-N	1	1	372.469	2.084	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000076673427	542311274	/nfs/dbraw/zinc/31/12/74/542311274.db2.gz	LVAQQQPYFUOOQH-INIZCTEOSA-N	1	1	372.469	2.108	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000077538957	542394116	/nfs/dbraw/zinc/39/41/16/542394116.db2.gz	ZAYUYZWOYHYOJC-AWEZNQCLSA-N	1	1	360.433	2.407	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(CC(=O)N2CCCC2)CC1	ZINC000078484447	542463923	/nfs/dbraw/zinc/46/39/23/542463923.db2.gz	WCMQMJVGFGTMDP-UZLBHIALSA-N	1	1	362.518	2.154	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000055749241	221073195	/nfs/dbraw/zinc/07/31/95/221073195.db2.gz	QPYZMQCWPONWBV-QLFBSQMISA-N	1	1	372.513	2.279	20	30		FEEDMO
N#CC1(NC(=O)CN2CC[NH+](CCOc3ccccc3)CC2)CCCCC1	ZINC000078811159	542482601	/nfs/dbraw/zinc/48/26/01/542482601.db2.gz	INJJZFZONANCKP-UHFFFAOYSA-N	1	1	370.497	2.026	20	30		FEEDMO
COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](CCO[C@@H](C)C#N)CC1	ZINC000801928635	674155741	/nfs/dbraw/zinc/15/57/41/674155741.db2.gz	GQXBDWARPKDJRP-YOEHRIQHSA-N	1	1	365.861	2.100	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc1	ZINC000079543751	542526289	/nfs/dbraw/zinc/52/62/89/542526289.db2.gz	JNCWSCHXODNFEB-RMKNXTFCSA-N	1	1	360.461	2.280	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H](C)C1	ZINC000089265735	542759245	/nfs/dbraw/zinc/75/92/45/542759245.db2.gz	NXLRULLTPZETDL-NSHDSACASA-N	1	1	356.348	2.046	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@@H](C)C1	ZINC000089265735	542759249	/nfs/dbraw/zinc/75/92/49/542759249.db2.gz	NXLRULLTPZETDL-NSHDSACASA-N	1	1	356.348	2.046	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)O)C1	ZINC000089931535	542775521	/nfs/dbraw/zinc/77/55/21/542775521.db2.gz	NMPODYQEPUJJPK-ULQDDVLXSA-N	1	1	359.470	2.423	20	30		FEEDMO
N#CCC[C@H](NC1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1	ZINC000090665462	542788639	/nfs/dbraw/zinc/78/86/39/542788639.db2.gz	VYEGRYLOLRZLJH-NRFANRHFSA-N	1	1	356.514	2.418	20	30		FEEDMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C#N)c1	ZINC000091282065	542804021	/nfs/dbraw/zinc/80/40/21/542804021.db2.gz	RHYOFRPNZHSOEU-AWEZNQCLSA-N	1	1	353.426	2.269	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1OC	ZINC000093014575	542901442	/nfs/dbraw/zinc/90/14/42/542901442.db2.gz	MCZRHZXUANQWRE-GOSISDBHSA-N	1	1	374.481	2.473	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1OC	ZINC000093014575	542901445	/nfs/dbraw/zinc/90/14/45/542901445.db2.gz	MCZRHZXUANQWRE-GOSISDBHSA-N	1	1	374.481	2.473	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000093318717	542925850	/nfs/dbraw/zinc/92/58/50/542925850.db2.gz	DGDNYOOAKBMWOE-CQSZACIVSA-N	1	1	370.375	2.316	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000093318717	542925853	/nfs/dbraw/zinc/92/58/53/542925853.db2.gz	DGDNYOOAKBMWOE-CQSZACIVSA-N	1	1	370.375	2.316	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000093329206	542927037	/nfs/dbraw/zinc/92/70/37/542927037.db2.gz	LQBASGQBZPAVSF-JSGCOSHPSA-N	1	1	370.375	2.314	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000093329206	542927042	/nfs/dbraw/zinc/92/70/42/542927042.db2.gz	LQBASGQBZPAVSF-JSGCOSHPSA-N	1	1	370.375	2.314	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1	ZINC000101911687	543049397	/nfs/dbraw/zinc/04/93/97/543049397.db2.gz	GNODLBMDMCMBOP-QGZVFWFLSA-N	1	1	356.470	2.371	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1	ZINC000102101968	543060430	/nfs/dbraw/zinc/06/04/30/543060430.db2.gz	PCEULKCKXUWJTJ-SFHVURJKSA-N	1	1	365.433	2.461	20	30		FEEDMO
CC(C)COC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1	ZINC000102936872	543086288	/nfs/dbraw/zinc/08/62/88/543086288.db2.gz	JAUBHDIAVLJEIF-GOSISDBHSA-N	1	1	355.438	2.327	20	30		FEEDMO
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000103284914	543101321	/nfs/dbraw/zinc/10/13/21/543101321.db2.gz	WPZRKSCFPJAPSC-KBPBESRZSA-N	1	1	362.861	2.172	20	30		FEEDMO
C[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)[N@@H+](C)C1CC1	ZINC000105267918	543167360	/nfs/dbraw/zinc/16/73/60/543167360.db2.gz	IOVUGNHJYOQJAX-MRXNPFEDSA-N	1	1	355.486	2.263	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1	ZINC000106962145	543258387	/nfs/dbraw/zinc/25/83/87/543258387.db2.gz	JDPINBWFLMMLOM-INIZCTEOSA-N	1	1	357.454	2.323	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@H]1CN1CCOCC1	ZINC000109820624	543340483	/nfs/dbraw/zinc/34/04/83/543340483.db2.gz	ZUBDFUPRPZJXKE-INIZCTEOSA-N	1	1	362.499	2.135	20	30		FEEDMO
O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000111316237	543395982	/nfs/dbraw/zinc/39/59/82/543395982.db2.gz	JUYMLXSTHQFQHD-SJPCQFCGSA-N	1	1	366.383	2.161	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000112699673	543458116	/nfs/dbraw/zinc/45/81/16/543458116.db2.gz	UKPSYMFWOLEYIA-INIZCTEOSA-N	1	1	356.470	2.371	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000112699673	543458119	/nfs/dbraw/zinc/45/81/19/543458119.db2.gz	UKPSYMFWOLEYIA-INIZCTEOSA-N	1	1	356.470	2.371	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H](O)COCc1ccccc1	ZINC000114461675	543517951	/nfs/dbraw/zinc/51/79/51/543517951.db2.gz	PMCSEAKWQKAJIZ-LJQANCHMSA-N	1	1	353.422	2.006	20	30		FEEDMO
C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C[C@@H](O)COCc1ccccc1	ZINC000114461675	543517953	/nfs/dbraw/zinc/51/79/53/543517953.db2.gz	PMCSEAKWQKAJIZ-LJQANCHMSA-N	1	1	353.422	2.006	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc(C#N)nc2)CC1	ZINC000115027613	543549497	/nfs/dbraw/zinc/54/94/97/543549497.db2.gz	QOJFAKYHIJNYRC-UHFFFAOYSA-N	1	1	363.465	2.021	20	30		FEEDMO
C=CCCC[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1	ZINC000117870672	543641184	/nfs/dbraw/zinc/64/11/84/543641184.db2.gz	FZSGYRKOYAIAKP-UHFFFAOYSA-N	1	1	366.483	2.136	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000118113913	543645680	/nfs/dbraw/zinc/64/56/80/543645680.db2.gz	NLWWFZYRTGEISZ-INIZCTEOSA-N	1	1	360.433	2.407	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccccc1SCCC#N)[N@@H+](C)C1CC1	ZINC000118128973	543647899	/nfs/dbraw/zinc/64/78/99/543647899.db2.gz	FZHYSVQCKCNGCB-CYBMUJFWSA-N	1	1	360.483	2.230	20	30		FEEDMO
C=CC[N@@H+](C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1	ZINC000121236496	543690901	/nfs/dbraw/zinc/69/09/01/543690901.db2.gz	NDPLMRIWPHJHMQ-UHFFFAOYSA-N	1	1	372.332	2.273	20	30		FEEDMO
C=CC[N@H+](C)CC(=O)N1CCN(Cc2ccc(Br)s2)CC1	ZINC000121236496	543690904	/nfs/dbraw/zinc/69/09/04/543690904.db2.gz	NDPLMRIWPHJHMQ-UHFFFAOYSA-N	1	1	372.332	2.273	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(CN2CCCCC2=O)CC1)C1(C#N)CCCCC1	ZINC000118851918	543660429	/nfs/dbraw/zinc/66/04/29/543660429.db2.gz	SAGNUOQBHWQLPG-UHFFFAOYSA-N	1	1	374.529	2.396	20	30		FEEDMO
C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C	ZINC000120458613	543679903	/nfs/dbraw/zinc/67/99/03/543679903.db2.gz	YGASEBXMVBWUTR-PBHICJAKSA-N	1	1	356.470	2.367	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1	ZINC000122225454	543705115	/nfs/dbraw/zinc/70/51/15/543705115.db2.gz	KOUCDJAINQPGRM-UHFFFAOYSA-N	1	1	350.466	2.168	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccccc2C#N)C[N@H+]1Cc1ccccc1	ZINC000126359470	543931714	/nfs/dbraw/zinc/93/17/14/543931714.db2.gz	IFBQSXGNZZIPQH-MAUKXSAKSA-N	1	1	355.463	2.500	20	30		FEEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000125724773	543898432	/nfs/dbraw/zinc/89/84/32/543898432.db2.gz	OPXVZIRPXFRBCF-ZDUSSCGKSA-N	1	1	357.426	2.331	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C[N@H+]1C1CC1	ZINC000127325360	543986357	/nfs/dbraw/zinc/98/63/57/543986357.db2.gz	DLOZLQIMTZKOLA-RDJZCZTQSA-N	1	1	353.470	2.015	20	30		FEEDMO
COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1	ZINC000127454928	543994182	/nfs/dbraw/zinc/99/41/82/543994182.db2.gz	ZKQGUDBRNQDICN-YJBOKZPZSA-N	1	1	356.470	2.341	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1	ZINC000134922628	544327920	/nfs/dbraw/zinc/32/79/20/544327920.db2.gz	HSUNWAAHAZNAGV-SYYKKAFVSA-N	1	1	369.509	2.441	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1	ZINC000134922628	544327922	/nfs/dbraw/zinc/32/79/22/544327922.db2.gz	HSUNWAAHAZNAGV-SYYKKAFVSA-N	1	1	369.509	2.441	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1	ZINC000134922628	544327924	/nfs/dbraw/zinc/32/79/24/544327924.db2.gz	HSUNWAAHAZNAGV-SYYKKAFVSA-N	1	1	369.509	2.441	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000134922628	544327925	/nfs/dbraw/zinc/32/79/25/544327925.db2.gz	HSUNWAAHAZNAGV-SYYKKAFVSA-N	1	1	369.509	2.441	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1	ZINC000136464746	544373563	/nfs/dbraw/zinc/37/35/63/544373563.db2.gz	VORUPENLULVFRI-HNNXBMFYSA-N	1	1	358.417	2.017	20	30		FEEDMO
C=CCc1cc(CNC(=O)[C@@H](C)[NH+]2CCSCC2)cc(OC)c1OC	ZINC000151868514	544590065	/nfs/dbraw/zinc/59/00/65/544590065.db2.gz	GGRNUZIKJBACEG-CQSZACIVSA-N	1	1	364.511	2.486	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)CN(C)C[C@@H]2CCC[N@H+](C)C2)c(OC)c1	ZINC000152473886	544658593	/nfs/dbraw/zinc/65/85/93/544658593.db2.gz	KOKUIYJYAFEXDS-MOPGFXCFSA-N	1	1	362.514	2.437	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)CN(C)C[C@@H]2CCC[N@@H+](C)C2)c(OC)c1	ZINC000152473886	544658595	/nfs/dbraw/zinc/65/85/95/544658595.db2.gz	KOKUIYJYAFEXDS-MOPGFXCFSA-N	1	1	362.514	2.437	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)C[C@@H]2CCCN(C)C2)c(OC)c1	ZINC000152473886	544658596	/nfs/dbraw/zinc/65/85/96/544658596.db2.gz	KOKUIYJYAFEXDS-MOPGFXCFSA-N	1	1	362.514	2.437	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@@H]2CCCN(C)C2)c(OC)c1	ZINC000152473886	544658597	/nfs/dbraw/zinc/65/85/97/544658597.db2.gz	KOKUIYJYAFEXDS-MOPGFXCFSA-N	1	1	362.514	2.437	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1	ZINC000152506264	544662778	/nfs/dbraw/zinc/66/27/78/544662778.db2.gz	OWNLGYKEIXVUOH-PBHICJAKSA-N	1	1	362.430	2.012	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1	ZINC000152506264	544662780	/nfs/dbraw/zinc/66/27/80/544662780.db2.gz	OWNLGYKEIXVUOH-PBHICJAKSA-N	1	1	362.430	2.012	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+](CCO)Cc1cccnc1)CCC2	ZINC000152319307	544638496	/nfs/dbraw/zinc/63/84/96/544638496.db2.gz	GGEDERQHTRGMTF-UHFFFAOYSA-N	1	1	370.478	2.327	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2ccncc2)CC1	ZINC000153240935	544751040	/nfs/dbraw/zinc/75/10/40/544751040.db2.gz	IVDMLSMIIKVLEE-OAQYLSRUSA-N	1	1	367.493	2.368	20	30		FEEDMO
C#CCSCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000154806167	544951755	/nfs/dbraw/zinc/95/17/55/544951755.db2.gz	MTKRHWWZCDZBDT-UHFFFAOYSA-N	1	1	356.495	2.142	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(OCCCO)CC1	ZINC000155084945	544986887	/nfs/dbraw/zinc/98/68/87/544986887.db2.gz	SYBBRJUGULRCMN-QGZVFWFLSA-N	1	1	359.470	2.185	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1	ZINC000186018423	327943529	/nfs/dbraw/zinc/94/35/29/327943529.db2.gz	KEDOTNSUEVYENT-CQSZACIVSA-N	1	1	356.344	2.141	20	30		FEEDMO
N#Cc1c(F)cccc1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1	ZINC000187377040	328020905	/nfs/dbraw/zinc/02/09/05/328020905.db2.gz	HPPUGFDSSAMICZ-CVEARBPZSA-N	1	1	353.397	2.063	20	30		FEEDMO
N#Cc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)cc1[O-]	ZINC000189878166	328173267	/nfs/dbraw/zinc/17/32/67/328173267.db2.gz	KNTHCWUGIHVMBT-UHFFFAOYSA-N	1	1	351.406	2.101	20	30		FEEDMO
CCc1n[nH]c(C2CCN([C@H](C)C(=O)Nc3cccc(C#N)c3)CC2)n1	ZINC000190677334	328224250	/nfs/dbraw/zinc/22/42/50/328224250.db2.gz	XCOGGGBLEVUIST-CYBMUJFWSA-N	1	1	352.442	2.445	20	30		FEEDMO
CCOC(=O)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1	ZINC000190837633	328235463	/nfs/dbraw/zinc/23/54/63/328235463.db2.gz	CXJVJQMWDOGYCW-QGZVFWFLSA-N	1	1	367.405	2.219	20	30		FEEDMO
COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3cc(C#N)n(C)c3)C2=O)c1	ZINC000191428633	328265318	/nfs/dbraw/zinc/26/53/18/328265318.db2.gz	HFFBPXPZBYUAAL-LJQANCHMSA-N	1	1	368.437	2.151	20	30		FEEDMO
COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)Cc3cc(C#N)n(C)c3)C2=O)c1	ZINC000191428633	328265320	/nfs/dbraw/zinc/26/53/20/328265320.db2.gz	HFFBPXPZBYUAAL-LJQANCHMSA-N	1	1	368.437	2.151	20	30		FEEDMO
CC(=O)N1CC[NH+](Cc2cccc(NCc3cc(C#N)n(C)c3)c2)CC1	ZINC000191619768	328274236	/nfs/dbraw/zinc/27/42/36/328274236.db2.gz	ZYLYLVSTUVYYFZ-UHFFFAOYSA-N	1	1	351.454	2.173	20	30		FEEDMO
Cn1c(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc2ccccc21	ZINC000192241628	328308765	/nfs/dbraw/zinc/30/87/65/328308765.db2.gz	IHFAFECBKGGONW-SFHVURJKSA-N	1	1	359.433	2.336	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccco1	ZINC000192499028	328322396	/nfs/dbraw/zinc/32/23/96/328322396.db2.gz	QUSHUIYEDAGUFE-AWEZNQCLSA-N	1	1	371.441	2.065	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000192980569	328350459	/nfs/dbraw/zinc/35/04/59/328350459.db2.gz	BQDVTVARWZGFDJ-GOSISDBHSA-N	1	1	355.463	2.359	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000193620582	328385792	/nfs/dbraw/zinc/38/57/92/328385792.db2.gz	ZOMLUJKGNQHOBC-SFHVURJKSA-N	1	1	373.501	2.350	20	30		FEEDMO
CN(C(=O)c1ccnc(C#N)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000193679213	328389331	/nfs/dbraw/zinc/38/93/31/328389331.db2.gz	PHNZJKQEKNBZPK-PMACEKPBSA-N	1	1	369.513	2.362	20	30		FEEDMO
CC(C)[C@@H](NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccccc1	ZINC000089943846	325344733	/nfs/dbraw/zinc/34/47/33/325344733.db2.gz	RVQKKERVQLSLDB-LJQANCHMSA-N	1	1	368.485	2.241	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000121458143	326340234	/nfs/dbraw/zinc/34/02/34/326340234.db2.gz	ZLVWQRYNASMBJH-MRXNPFEDSA-N	1	1	372.860	2.187	20	30		FEEDMO
COC(=O)[C@H](c1cccnc1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000121494718	326343047	/nfs/dbraw/zinc/34/30/47/326343047.db2.gz	NLVYPYZGOVQWFA-FQEVSTJZSA-N	1	1	364.449	2.375	20	30		FEEDMO
C[C@H](C(=O)N[C@H]1CCCN(c2ccccc2C#N)C1)[NH+]1CCSCC1	ZINC000152408611	326706435	/nfs/dbraw/zinc/70/64/35/326706435.db2.gz	BKXUBXWGCPNVBR-WBVHZDCISA-N	1	1	358.511	2.081	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1	ZINC000163632125	327055415	/nfs/dbraw/zinc/05/54/15/327055415.db2.gz	ANXVBGSAQGFJHG-QGZVFWFLSA-N	1	1	372.513	2.280	20	30		FEEDMO
C[NH+](C)CC(=O)Nc1ccc(NC(=O)CNc2cccc(C#N)c2)cc1	ZINC000163796473	327059013	/nfs/dbraw/zinc/05/90/13/327059013.db2.gz	FALADBURDYQMSB-UHFFFAOYSA-N	1	1	351.410	2.109	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCc2ccc(C#N)cc2)CC1	ZINC000171617208	327148364	/nfs/dbraw/zinc/14/83/64/327148364.db2.gz	MHFCAJAMCOYSDW-HDICACEKSA-N	1	1	369.513	2.258	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1	ZINC000172154465	327184302	/nfs/dbraw/zinc/18/43/02/327184302.db2.gz	WYSOLNXBVQHSMR-GOSISDBHSA-N	1	1	370.501	2.049	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3cccc(C#N)c3)c2)CC1	ZINC000173834468	327287849	/nfs/dbraw/zinc/28/78/49/327287849.db2.gz	KAVVIOWCYYCMSE-UHFFFAOYSA-N	1	1	362.433	2.127	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@@H+]1CCC[C@H](CC(N)=O)C1	ZINC000175225087	327381234	/nfs/dbraw/zinc/38/12/34/327381234.db2.gz	MLMMTJJUCFTUEN-VXGBXAGGSA-N	1	1	360.483	2.023	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[N@H+]1CCC[C@H](CC(N)=O)C1	ZINC000175225087	327381236	/nfs/dbraw/zinc/38/12/36/327381236.db2.gz	MLMMTJJUCFTUEN-VXGBXAGGSA-N	1	1	360.483	2.023	20	30		FEEDMO
Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)ccc1C#N	ZINC000262315719	328858534	/nfs/dbraw/zinc/85/85/34/328858534.db2.gz	PQFTWHHNBYMEFH-SFHVURJKSA-N	1	1	359.426	2.341	20	30		FEEDMO
COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1	ZINC000264426822	329021748	/nfs/dbraw/zinc/02/17/48/329021748.db2.gz	ADNDMEBAUWJPFA-MRXNPFEDSA-N	1	1	369.421	2.181	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(c3cccc(C#N)n3)CC2)C1	ZINC000275588587	330067196	/nfs/dbraw/zinc/06/71/96/330067196.db2.gz	JOOUJPBNYTYBNC-INIZCTEOSA-N	1	1	357.458	2.085	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](CCO)C2CCC2)c1C#N	ZINC000275875818	330099030	/nfs/dbraw/zinc/09/90/30/330099030.db2.gz	PIVCQZHJZWROIA-UHFFFAOYSA-N	1	1	370.453	2.403	20	30		FEEDMO
COCCOCCOCC[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000276316375	330140223	/nfs/dbraw/zinc/14/02/23/330140223.db2.gz	YAFNZBTYUOHPOK-UHFFFAOYSA-N	1	1	372.469	2.070	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1	ZINC000367079016	330214253	/nfs/dbraw/zinc/21/42/53/330214253.db2.gz	RLUIQWNPPNLVOS-JKSUJKDBSA-N	1	1	358.442	2.332	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1	ZINC000367079016	330214255	/nfs/dbraw/zinc/21/42/55/330214255.db2.gz	RLUIQWNPPNLVOS-JKSUJKDBSA-N	1	1	358.442	2.332	20	30		FEEDMO
C#C[C@H](NC(=O)NCC[N@H+](C)CCCOC)c1ccc(Cl)cc1F	ZINC000805152724	674323454	/nfs/dbraw/zinc/32/34/54/674323454.db2.gz	JTCWYGOWKWUFIQ-INIZCTEOSA-N	1	1	355.841	2.421	20	30		FEEDMO
COc1ccc([C@H](C[NH+](C)C)NS(=O)(=O)CCC(C)(C)C#N)cc1	ZINC000554908667	674340825	/nfs/dbraw/zinc/34/08/25/674340825.db2.gz	RVVZYMDWWSIUDI-INIZCTEOSA-N	1	1	353.488	2.157	20	30		FEEDMO
Cc1ccc(C#N)cc1S(=O)(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000128910814	518188306	/nfs/dbraw/zinc/18/83/06/518188306.db2.gz	MFWGZKUNYGRVCH-HOTGVXAUSA-N	1	1	365.499	2.034	20	30		FEEDMO
O=C(C[N@@H+]1CCCN(CC#Cc2cccc(Cl)c2)CC1)N1CCCC1	ZINC000156070229	545596093	/nfs/dbraw/zinc/59/60/93/545596093.db2.gz	MQIVHMBEDKLIMR-UHFFFAOYSA-N	1	1	359.901	2.322	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000156578432	545637422	/nfs/dbraw/zinc/63/74/22/545637422.db2.gz	NFVFAMJBARDPOM-UHFFFAOYSA-N	1	1	374.441	2.035	20	30		FEEDMO
CC(C)C(=O)NCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000157590434	545758315	/nfs/dbraw/zinc/75/83/15/545758315.db2.gz	CBOVQHJJIMFFPS-UHFFFAOYSA-N	1	1	362.499	2.141	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1C#N	ZINC000157873397	545793766	/nfs/dbraw/zinc/79/37/66/545793766.db2.gz	GOSMLZMPOCSYAG-OAHLLOKOSA-N	1	1	359.474	2.103	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1C#N	ZINC000158034471	545814239	/nfs/dbraw/zinc/81/42/39/545814239.db2.gz	OXODJNHHJBZDSG-BDJLRTHQSA-N	1	1	360.483	2.001	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1C#N	ZINC000158034471	545814243	/nfs/dbraw/zinc/81/42/43/545814243.db2.gz	OXODJNHHJBZDSG-BDJLRTHQSA-N	1	1	360.483	2.001	20	30		FEEDMO
Cc1cc(C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n[nH]1	ZINC000158260096	545840936	/nfs/dbraw/zinc/84/09/36/545840936.db2.gz	JGZJSJSXXZYDQU-OAHLLOKOSA-N	1	1	368.485	2.294	20	30		FEEDMO
C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC[C@@H]1O	ZINC000159857213	545986169	/nfs/dbraw/zinc/98/61/69/545986169.db2.gz	LJPLQPYLDRWESM-WBVHZDCISA-N	1	1	368.399	2.266	20	30		FEEDMO
C[C@@H]1C[C@@H](N(C)S(=O)(=O)N(C)CCC#N)CC[N@H+]1Cc1ccccc1	ZINC000160003614	545999725	/nfs/dbraw/zinc/99/97/25/545999725.db2.gz	SAVRIAWBNAVQCG-AEFFLSMTSA-N	1	1	364.515	2.062	20	30		FEEDMO
N#Cc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)[nH]1	ZINC000161304904	546118021	/nfs/dbraw/zinc/11/80/21/546118021.db2.gz	LRAUDNHQOUAJOX-UHFFFAOYSA-N	1	1	371.872	2.482	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1	ZINC000161738431	546134555	/nfs/dbraw/zinc/13/45/55/546134555.db2.gz	WESROVPJWYVXOB-GOSISDBHSA-N	1	1	359.518	2.440	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](C)C[NH+]1CCOCC1	ZINC000163316571	546144101	/nfs/dbraw/zinc/14/41/01/546144101.db2.gz	YZZOHTCUYGHGDO-KRWDZBQOSA-N	1	1	361.486	2.361	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)CN1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1	ZINC000171704714	546219165	/nfs/dbraw/zinc/21/91/65/546219165.db2.gz	CHXQVTAKEKILAV-MSOLQXFVSA-N	1	1	372.513	2.382	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1	ZINC000174037338	546289939	/nfs/dbraw/zinc/28/99/39/546289939.db2.gz	BRRQXSFRXNYTMO-QGZVFWFLSA-N	1	1	361.486	2.233	20	30		FEEDMO
COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000175649547	546327504	/nfs/dbraw/zinc/32/75/04/546327504.db2.gz	LHKHZXPUBNCHMA-GFCCVEGCSA-N	1	1	364.833	2.313	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)NCc3ccc(C#N)cc3)CC2)nc(C)[nH+]1	ZINC000175755607	546344213	/nfs/dbraw/zinc/34/42/13/546344213.db2.gz	SBQSHCACPLABBB-UHFFFAOYSA-N	1	1	364.453	2.433	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1	ZINC000175846926	546362071	/nfs/dbraw/zinc/36/20/71/546362071.db2.gz	DYBAYYPEAXGCIB-WBVHZDCISA-N	1	1	370.478	2.285	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1	ZINC000176039576	546394880	/nfs/dbraw/zinc/39/48/80/546394880.db2.gz	PKIVPNOUMUGHKH-IBGZPJMESA-N	1	1	361.445	2.235	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1	ZINC000176233736	546422871	/nfs/dbraw/zinc/42/28/71/546422871.db2.gz	SWIANAYZFSRPRV-UHFFFAOYSA-N	1	1	372.494	2.020	20	30		FEEDMO
CC(C)OCCN1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)CC1	ZINC000177491712	546630226	/nfs/dbraw/zinc/63/02/26/546630226.db2.gz	GUXZKQSGVKLJKN-MRXNPFEDSA-N	1	1	358.486	2.364	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000481132558	561225810	/nfs/dbraw/zinc/22/58/10/561225810.db2.gz	XKEVSYTVPAMXTM-QZTJIDSGSA-N	1	1	357.498	2.438	20	30		FEEDMO
C[N@H+](Cc1ccc([S@@](C)=O)cc1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000178434585	546793646	/nfs/dbraw/zinc/79/36/46/546793646.db2.gz	LZTFOYCDPFYTQO-SSOJOUAXSA-N	1	1	358.463	2.167	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc(C#N)c2C)CC1=O	ZINC000178625869	546821982	/nfs/dbraw/zinc/82/19/82/546821982.db2.gz	BSRIZBVBJMJJPE-IAGOWNOFSA-N	1	1	354.454	2.138	20	30		FEEDMO
C=CCOC[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C(=O)OC	ZINC000482440152	561253926	/nfs/dbraw/zinc/25/39/26/561253926.db2.gz	PYSAZGUZYINYDA-WTGUMLROSA-N	1	1	358.482	2.231	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C#N)cc1	ZINC000180897458	547205504	/nfs/dbraw/zinc/20/55/04/547205504.db2.gz	ANOPMGCAYZWOJZ-OAHLLOKOSA-N	1	1	350.422	2.133	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000483497625	561278473	/nfs/dbraw/zinc/27/84/73/561278473.db2.gz	UVIHFRQYXJOCDZ-WBVHZDCISA-N	1	1	359.470	2.304	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1	ZINC000183181411	547617075	/nfs/dbraw/zinc/61/70/75/547617075.db2.gz	OJBMKPSVKTYAIT-QGZVFWFLSA-N	1	1	370.453	2.047	20	30		FEEDMO
Cn1cnc2cc(C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cnc21	ZINC000183583212	547685046	/nfs/dbraw/zinc/68/50/46/547685046.db2.gz	PLXKHQWYTWUPFR-UHFFFAOYSA-N	1	1	374.448	2.188	20	30		FEEDMO
Cn1cnc2cc(C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cnc21	ZINC000183583212	547685047	/nfs/dbraw/zinc/68/50/47/547685047.db2.gz	PLXKHQWYTWUPFR-UHFFFAOYSA-N	1	1	374.448	2.188	20	30		FEEDMO
C=CC[N@@H+](CCOC)CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000484559665	561300064	/nfs/dbraw/zinc/30/00/64/561300064.db2.gz	DZHUOZMFBFEWAM-UHFFFAOYSA-N	1	1	365.905	2.119	20	30		FEEDMO
C=CC[N@H+](CCOC)CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1	ZINC000484559665	561300065	/nfs/dbraw/zinc/30/00/65/561300065.db2.gz	DZHUOZMFBFEWAM-UHFFFAOYSA-N	1	1	365.905	2.119	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(c2ccccn2)CC1	ZINC000183819915	547724687	/nfs/dbraw/zinc/72/46/87/547724687.db2.gz	NEGKQSCIIJSBSD-KRWDZBQOSA-N	1	1	355.486	2.325	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(c2ccccn2)CC1	ZINC000183819915	547724690	/nfs/dbraw/zinc/72/46/90/547724690.db2.gz	NEGKQSCIIJSBSD-KRWDZBQOSA-N	1	1	355.486	2.325	20	30		FEEDMO
CC1([C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)c3ccccc3)C2)OCCO1	ZINC000183842355	547728249	/nfs/dbraw/zinc/72/82/49/547728249.db2.gz	CFEOWHDZIOEFQX-QGZVFWFLSA-N	1	1	357.454	2.408	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOCC2(CCOCC2)C1	ZINC000184072274	547763822	/nfs/dbraw/zinc/76/38/22/547763822.db2.gz	QZNKGVBNBLYQCG-LJQANCHMSA-N	1	1	361.482	2.284	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000184414233	547822545	/nfs/dbraw/zinc/82/25/45/547822545.db2.gz	LMFCPMWIMOEKOE-INIZCTEOSA-N	1	1	361.486	2.016	20	30		FEEDMO
O=C(NCC[N@H+]1CC=CCC1)C(=O)Nc1ccccc1C#Cc1ccccc1	ZINC000484990622	561310031	/nfs/dbraw/zinc/31/00/31/561310031.db2.gz	ZHBNAKQRRCLGBJ-UHFFFAOYSA-N	1	1	373.456	2.403	20	30		FEEDMO
O=C(NCC[N@@H+]1CC=CCC1)C(=O)Nc1ccccc1C#Cc1ccccc1	ZINC000484990622	561310032	/nfs/dbraw/zinc/31/00/32/561310032.db2.gz	ZHBNAKQRRCLGBJ-UHFFFAOYSA-N	1	1	373.456	2.403	20	30		FEEDMO
C[C@@H]1C[C@@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC[N@H+]1C	ZINC000184642012	547859553	/nfs/dbraw/zinc/85/95/53/547859553.db2.gz	PNFGYQVMZUAEEG-CJNGLKHVSA-N	1	1	353.430	2.085	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1	ZINC000185785797	548035945	/nfs/dbraw/zinc/03/59/45/548035945.db2.gz	GBFOIELMAAWQBU-NVXWUHKLSA-N	1	1	356.388	2.494	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000185838447	548042916	/nfs/dbraw/zinc/04/29/16/548042916.db2.gz	JNRWAISVCCKVAE-QLFBSQMISA-N	1	1	365.499	2.212	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)C1CC1	ZINC000186071530	548080104	/nfs/dbraw/zinc/08/01/04/548080104.db2.gz	CPFAAEFANJGZID-LJQANCHMSA-N	1	1	370.478	2.142	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCCC3(CC3)C2)CC1	ZINC000186972684	548231381	/nfs/dbraw/zinc/23/13/81/548231381.db2.gz	GQQGDDJNYQUOPC-INIZCTEOSA-N	1	1	358.511	2.333	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)CC1	ZINC000187163001	548251793	/nfs/dbraw/zinc/25/17/93/548251793.db2.gz	LPVUIVMOZLSCQI-UHFFFAOYSA-N	1	1	358.467	2.072	20	30		FEEDMO
C=C(C)[C@H]([NH2+][C@@H](C)C(=O)N1CCC(C(N)=O)CC1)c1ccc(F)c(F)c1	ZINC000187776196	548264448	/nfs/dbraw/zinc/26/44/48/548264448.db2.gz	NQVVUGWODICCSW-SJCJKPOMSA-N	1	1	365.424	2.284	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1	ZINC000188074883	548270770	/nfs/dbraw/zinc/27/07/70/548270770.db2.gz	HGPBETBSIIWMLK-SFHVURJKSA-N	1	1	370.497	2.332	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000188349599	548278051	/nfs/dbraw/zinc/27/80/51/548278051.db2.gz	BGPSUGLJZBXHSL-XLIONFOSSA-N	1	1	359.470	2.304	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000188349599	548278054	/nfs/dbraw/zinc/27/80/54/548278054.db2.gz	BGPSUGLJZBXHSL-XLIONFOSSA-N	1	1	359.470	2.304	20	30		FEEDMO
N#CCCN(C(=O)[C@@H]1CCCc2[nH+]ccn21)c1ccc2c(c1)OCCO2	ZINC000486181074	561340267	/nfs/dbraw/zinc/34/02/67/561340267.db2.gz	BLGFRZOCFHQSIG-HNNXBMFYSA-N	1	1	352.394	2.479	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)Cc3ccc(C#N)cc3)cc2)CC1	ZINC000195182433	548591780	/nfs/dbraw/zinc/59/17/80/548591780.db2.gz	FFDFQPWMILOOSF-UHFFFAOYSA-N	1	1	362.477	2.165	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000227905109	548753268	/nfs/dbraw/zinc/75/32/68/548753268.db2.gz	HRQLXCHWRWNRJN-WMLDXEAASA-N	1	1	354.454	2.123	20	30		FEEDMO
C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1	ZINC000245385385	548903000	/nfs/dbraw/zinc/90/30/00/548903000.db2.gz	CIIRGKNSCHUOQP-DZGCQCFKSA-N	1	1	356.401	2.193	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C	ZINC000245438557	548920046	/nfs/dbraw/zinc/92/00/46/548920046.db2.gz	FLHDEUFRTCECKI-SJORKVTESA-N	1	1	357.454	2.419	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)CN2CC[N@@H+](C)[C@@H](C(C)C)C2)c(OC)c1	ZINC000487995898	561380867	/nfs/dbraw/zinc/38/08/67/561380867.db2.gz	BFIVFGZIPXPCLE-RBUKOAKNSA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN(C)[C@@H](C(C)C)C2)c(OC)c1	ZINC000487995898	561380868	/nfs/dbraw/zinc/38/08/68/561380868.db2.gz	BFIVFGZIPXPCLE-RBUKOAKNSA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCN(C)[C@@H](C(C)C)C2)c(OC)c1	ZINC000487995898	561380869	/nfs/dbraw/zinc/38/08/69/561380869.db2.gz	BFIVFGZIPXPCLE-RBUKOAKNSA-N	1	1	362.514	2.435	20	30		FEEDMO
N#Cc1ccc(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)cc1	ZINC000245570511	548948566	/nfs/dbraw/zinc/94/85/66/548948566.db2.gz	ANQPKXGONPBXGC-SFTDATJTSA-N	1	1	363.461	2.100	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000245625117	548960565	/nfs/dbraw/zinc/96/05/65/548960565.db2.gz	OUDOHIAYHVXFIV-SIXWZSSISA-N	1	1	366.465	2.361	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000245625117	548960570	/nfs/dbraw/zinc/96/05/70/548960570.db2.gz	OUDOHIAYHVXFIV-SIXWZSSISA-N	1	1	366.465	2.361	20	30		FEEDMO
CCC[C@H]1CN(C(=O)[C@H](C)Oc2ccccc2C#N)CC[N@H+]1CCOC	ZINC000245925596	549021698	/nfs/dbraw/zinc/02/16/98/549021698.db2.gz	OOSVERXLFGRYLM-WMZOPIPTSA-N	1	1	359.470	2.285	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000245970233	549029553	/nfs/dbraw/zinc/02/95/53/549029553.db2.gz	NYVJIIWQXRXGEX-RTBURBONSA-N	1	1	352.438	2.339	20	30		FEEDMO
Cn1cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000245970233	549029556	/nfs/dbraw/zinc/02/95/56/549029556.db2.gz	NYVJIIWQXRXGEX-RTBURBONSA-N	1	1	352.438	2.339	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)COc2ccccc2C#N)[C@@H](C)C1	ZINC000246674285	549187003	/nfs/dbraw/zinc/18/70/03/549187003.db2.gz	BRMFZICHDZOYPI-WMZOPIPTSA-N	1	1	359.470	2.190	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1	ZINC000248371947	549423801	/nfs/dbraw/zinc/42/38/01/549423801.db2.gz	ZHQXORUVNGGVFI-DLBZAZTESA-N	1	1	371.485	2.049	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H]([C@H](C)O)C2)c1C#N	ZINC000248529901	549454084	/nfs/dbraw/zinc/45/40/84/549454084.db2.gz	DWKJIAQGTWSKOI-HOTGVXAUSA-N	1	1	370.453	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1C#N	ZINC000248529901	549454089	/nfs/dbraw/zinc/45/40/89/549454089.db2.gz	DWKJIAQGTWSKOI-HOTGVXAUSA-N	1	1	370.453	2.259	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)Cc1cccc(C#N)c1	ZINC000248699492	549485904	/nfs/dbraw/zinc/48/59/04/549485904.db2.gz	AAQFAISRYNUHQN-OXQOHEQNSA-N	1	1	369.490	2.498	20	30		FEEDMO
C=CCCCS(=O)(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000489583060	561414782	/nfs/dbraw/zinc/41/47/82/561414782.db2.gz	WTGJPRRQMKQGRJ-CALCHBBNSA-N	1	1	358.548	2.494	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F	ZINC000489806006	561419474	/nfs/dbraw/zinc/41/94/74/561419474.db2.gz	PJDZWLJXXNWWPX-INIZCTEOSA-N	1	1	373.453	2.498	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000250424709	549641773	/nfs/dbraw/zinc/64/17/73/549641773.db2.gz	FFABCAPEPAOCIT-IAGOWNOFSA-N	1	1	362.518	2.346	20	30		FEEDMO
COC[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)O1	ZINC000252001451	549660466	/nfs/dbraw/zinc/66/04/66/549660466.db2.gz	WQAUSQGIJJSALS-OLZOCXBDSA-N	1	1	363.483	2.173	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)O1	ZINC000252001451	549660468	/nfs/dbraw/zinc/66/04/68/549660468.db2.gz	WQAUSQGIJJSALS-OLZOCXBDSA-N	1	1	363.483	2.173	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1	ZINC000252353385	549664368	/nfs/dbraw/zinc/66/43/68/549664368.db2.gz	WVXZNLVBKIKZIL-CRAIPNDOSA-N	1	1	372.517	2.338	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1	ZINC000252353386	549664577	/nfs/dbraw/zinc/66/45/77/549664577.db2.gz	WVXZNLVBKIKZIL-QAPCUYQASA-N	1	1	372.517	2.338	20	30		FEEDMO
CC[C@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1	ZINC000252733894	549678622	/nfs/dbraw/zinc/67/86/22/549678622.db2.gz	SYBPTQYLERBKEK-QFBILLFUSA-N	1	1	358.461	2.266	20	30		FEEDMO
C=CCc1ccc(OCC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c(OC)c1	ZINC000261804618	549756793	/nfs/dbraw/zinc/75/67/93/549756793.db2.gz	RFNSYZJBYLVFKG-GOSISDBHSA-N	1	1	367.449	2.371	20	30		FEEDMO
C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)NC1CCN(Cc2ccccn2)CC1	ZINC000262371061	549814841	/nfs/dbraw/zinc/81/48/41/549814841.db2.gz	IPHHUVNJXLBMBC-WIYYLYMNSA-N	1	1	373.545	2.415	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccco1	ZINC000263760055	549932602	/nfs/dbraw/zinc/93/26/02/549932602.db2.gz	VRXOVAVOAYABOG-SFHVURJKSA-N	1	1	367.453	2.286	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1)C1CC1	ZINC000263778291	549935682	/nfs/dbraw/zinc/93/56/82/549935682.db2.gz	XXEQCXLTOBAZBE-FQEVSTJZSA-N	1	1	372.444	2.285	20	30		FEEDMO
CCc1cccc(NC(=[NH2+])NCc2ccc(N3CCN(C)CC3)nc2)c1	ZINC000264087159	549978140	/nfs/dbraw/zinc/97/81/40/549978140.db2.gz	JYWKBITUDWHTOA-UHFFFAOYSA-N	1	1	352.486	2.323	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1	ZINC000264735119	550000298	/nfs/dbraw/zinc/00/02/98/550000298.db2.gz	QIEOVSIBOGYLBF-IAGOWNOFSA-N	1	1	356.470	2.088	20	30		FEEDMO
COc1ccccc1[C@@H](CNS(=O)(=O)CCCC#N)[NH+]1CCCCC1	ZINC000264736616	550000736	/nfs/dbraw/zinc/00/07/36/550000736.db2.gz	JDDOHHALFTXJMJ-QGZVFWFLSA-N	1	1	365.499	2.445	20	30		FEEDMO
COCCCOC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1	ZINC000266014961	550015903	/nfs/dbraw/zinc/01/59/03/550015903.db2.gz	UGTQUKVVVMTSSD-UHFFFAOYSA-N	1	1	359.470	2.451	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+](CCCO)[C@@H]1CCCc2ccccc21	ZINC000266848385	550024532	/nfs/dbraw/zinc/02/45/32/550024532.db2.gz	BHBSINUPRTUBHW-HXUWFJFHSA-N	1	1	368.481	2.404	20	30		FEEDMO
CO[C@@H](C)c1noc(CO[NH+]=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C)n1	ZINC000266992913	550026387	/nfs/dbraw/zinc/02/63/87/550026387.db2.gz	BZEPKHVGWSOFEE-MNOVXSKESA-N	1	1	371.438	2.069	20	30		FEEDMO
CO[C@H](C)c1noc(CO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C)n1	ZINC000266992915	550026727	/nfs/dbraw/zinc/02/67/27/550026727.db2.gz	BZEPKHVGWSOFEE-WDEREUQCSA-N	1	1	371.438	2.069	20	30		FEEDMO
CS(=O)(=O)NC[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000267324368	550029933	/nfs/dbraw/zinc/02/99/33/550029933.db2.gz	ASFWPPFRCWGVIS-OAHLLOKOSA-N	1	1	374.428	2.318	20	30		FEEDMO
CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000267324368	550029936	/nfs/dbraw/zinc/02/99/36/550029936.db2.gz	ASFWPPFRCWGVIS-OAHLLOKOSA-N	1	1	374.428	2.318	20	30		FEEDMO
C=CCOCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000268042259	550037342	/nfs/dbraw/zinc/03/73/42/550037342.db2.gz	QHVZFBVEQNBYHS-QGZVFWFLSA-N	1	1	362.470	2.377	20	30		FEEDMO
C=CCOCCCC(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000268042259	550037345	/nfs/dbraw/zinc/03/73/45/550037345.db2.gz	QHVZFBVEQNBYHS-QGZVFWFLSA-N	1	1	362.470	2.377	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)c(OC)c1	ZINC000268333110	550051009	/nfs/dbraw/zinc/05/10/09/550051009.db2.gz	JFYBZCPWKVGYAG-OXQOHEQNSA-N	1	1	363.454	2.048	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)OCC	ZINC000270139151	550251656	/nfs/dbraw/zinc/25/16/56/550251656.db2.gz	ZSGYNQNDMAPLKF-LJQANCHMSA-N	1	1	373.497	2.313	20	30		FEEDMO
C#CC[C@H](NC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C)c1ccccc1	ZINC000271696280	550396293	/nfs/dbraw/zinc/39/62/93/550396293.db2.gz	MQSGDPOLYYRMJO-AEFFLSMTSA-N	1	1	357.454	2.030	20	30		FEEDMO
C#CC[C@H](NC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C)c1ccccc1	ZINC000271696280	550396294	/nfs/dbraw/zinc/39/62/94/550396294.db2.gz	MQSGDPOLYYRMJO-AEFFLSMTSA-N	1	1	357.454	2.030	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1	ZINC000271884506	550408901	/nfs/dbraw/zinc/40/89/01/550408901.db2.gz	AGISQRGJBUPCMJ-UHFFFAOYSA-N	1	1	358.873	2.228	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1	ZINC000271899892	550409588	/nfs/dbraw/zinc/40/95/88/550409588.db2.gz	OLYLKOYOAVIIFH-UHFFFAOYSA-N	1	1	369.469	2.204	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N[C@@H](CC)c2ccccc2OCC)CC1	ZINC000272028021	550417079	/nfs/dbraw/zinc/41/70/79/550417079.db2.gz	OMPXXKSVILCKPE-IBGZPJMESA-N	1	1	357.498	2.294	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)[C@H]2C1	ZINC000272620336	550461140	/nfs/dbraw/zinc/46/11/40/550461140.db2.gz	LSHUPPZSWHFXLN-YJBOKZPZSA-N	1	1	354.454	2.220	20	30		FEEDMO
C=CCCCCNC(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1	ZINC000274503719	550541176	/nfs/dbraw/zinc/54/11/76/550541176.db2.gz	JVFVJNDYDQCPSJ-MRXNPFEDSA-N	1	1	359.470	2.491	20	30		FEEDMO
C=CCC[C@@H](C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1)c1ccccc1	ZINC000275347918	550571875	/nfs/dbraw/zinc/57/18/75/550571875.db2.gz	RXIXHGVSMRDGRV-LJQANCHMSA-N	1	1	357.498	2.405	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F	ZINC000275460426	550572405	/nfs/dbraw/zinc/57/24/05/550572405.db2.gz	MSINWWFDLCAGIG-QWRGUYRKSA-N	1	1	365.384	2.482	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1=CC[N@@H+](C)CC1	ZINC000275938348	550575522	/nfs/dbraw/zinc/57/55/22/550575522.db2.gz	APGHRECMHBRATC-CQSZACIVSA-N	1	1	354.454	2.193	20	30		FEEDMO
CCOCCOCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000276241118	550577564	/nfs/dbraw/zinc/57/75/64/550577564.db2.gz	MCBHDDDFUBGANR-MRXNPFEDSA-N	1	1	365.449	2.446	20	30		FEEDMO
CCOCCOCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000276241118	550577566	/nfs/dbraw/zinc/57/75/66/550577566.db2.gz	MCBHDDDFUBGANR-MRXNPFEDSA-N	1	1	365.449	2.446	20	30		FEEDMO
C#CCC(CC#C)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000278356062	550776267	/nfs/dbraw/zinc/77/62/67/550776267.db2.gz	LFEIMNJJCQVOHV-SFHVURJKSA-N	1	1	354.450	2.057	20	30		FEEDMO
C#CCC(CC#C)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1	ZINC000278356062	550776268	/nfs/dbraw/zinc/77/62/68/550776268.db2.gz	LFEIMNJJCQVOHV-SFHVURJKSA-N	1	1	354.450	2.057	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)CC2)o1	ZINC000278894545	550833472	/nfs/dbraw/zinc/83/34/72/550833472.db2.gz	PCOUZRMCSBRLBY-MRXNPFEDSA-N	1	1	373.501	2.165	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)NCC[N@@H+]2CCc3sccc3C2)n1	ZINC000279408847	550886913	/nfs/dbraw/zinc/88/69/13/550886913.db2.gz	HSPIIGIJIUGHPU-UHFFFAOYSA-N	1	1	371.510	2.168	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)NCC[N@H+]2CCc3sccc3C2)n1	ZINC000279408847	550886915	/nfs/dbraw/zinc/88/69/15/550886915.db2.gz	HSPIIGIJIUGHPU-UHFFFAOYSA-N	1	1	371.510	2.168	20	30		FEEDMO
N#Cc1ccc(C[C@H](C#N)C(=O)NCC[N@H+]2CCc3ccccc3C2)cc1	ZINC000279685771	550916854	/nfs/dbraw/zinc/91/68/54/550916854.db2.gz	HIQXODTYJNPSIH-OAQYLSRUSA-N	1	1	358.445	2.415	20	30		FEEDMO
Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cc(C#N)ccc1F	ZINC000279728534	550922427	/nfs/dbraw/zinc/92/24/27/550922427.db2.gz	NKDUFHOXMRSBLW-WMZOPIPTSA-N	1	1	359.424	2.475	20	30		FEEDMO
Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1cc(C#N)ccc1F	ZINC000279728534	550922429	/nfs/dbraw/zinc/92/24/29/550922429.db2.gz	NKDUFHOXMRSBLW-WMZOPIPTSA-N	1	1	359.424	2.475	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1(CCO)CCOCC1	ZINC000495453235	561488247	/nfs/dbraw/zinc/48/82/47/561488247.db2.gz	ADKCOFRLNZXFFP-UHFFFAOYSA-N	1	1	351.834	2.014	20	30		FEEDMO
C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(Br)cn1	ZINC000280658032	551018311	/nfs/dbraw/zinc/01/83/11/551018311.db2.gz	ZSQWARHELSMUIV-LBPRGKRZSA-N	1	1	364.247	2.151	20	30		FEEDMO
C[C@]1(C(N)=O)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000280693390	551022090	/nfs/dbraw/zinc/02/20/90/551022090.db2.gz	HUDJOZNEHOAQKA-IBGZPJMESA-N	1	1	374.510	2.415	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000281012771	551054995	/nfs/dbraw/zinc/05/49/95/551054995.db2.gz	HKXPFKYUGIEORK-LPHOPBHVSA-N	1	1	353.422	2.073	20	30		FEEDMO
CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(C#N)s1	ZINC000496863286	561496162	/nfs/dbraw/zinc/49/61/62/561496162.db2.gz	GSVMDMWMFOJGQE-AWEZNQCLSA-N	1	1	363.483	2.499	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(=O)NCc1cccs1	ZINC000496967464	561496610	/nfs/dbraw/zinc/49/66/10/561496610.db2.gz	MBNCGHFJRFYYGH-UHFFFAOYSA-N	1	1	356.451	2.197	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+](C)CCCO)c1C#N	ZINC000281989760	551166462	/nfs/dbraw/zinc/16/64/62/551166462.db2.gz	WSQRQLBMYJRTAH-UHFFFAOYSA-N	1	1	358.417	2.358	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+](C)CCCO)c1C#N	ZINC000281989760	551166464	/nfs/dbraw/zinc/16/64/64/551166464.db2.gz	WSQRQLBMYJRTAH-UHFFFAOYSA-N	1	1	358.417	2.358	20	30		FEEDMO
C[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000497381507	561499935	/nfs/dbraw/zinc/49/99/35/561499935.db2.gz	DWLLLKQULZOQAG-QGZVFWFLSA-N	1	1	364.449	2.012	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCNC1=O	ZINC000282399232	551223163	/nfs/dbraw/zinc/22/31/63/551223163.db2.gz	PMWSVSNNJRCHQK-OAHLLOKOSA-N	1	1	374.510	2.428	20	30		FEEDMO
C=CCn1c(C)nnc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1	ZINC000282655677	551256575	/nfs/dbraw/zinc/25/65/75/551256575.db2.gz	QSXYMPWXWNIRLH-UHFFFAOYSA-N	1	1	354.502	2.027	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c(F)c1	ZINC000283403957	551360881	/nfs/dbraw/zinc/36/08/81/551360881.db2.gz	WRCMMEDYMMVUKJ-BLLLJJGKSA-N	1	1	363.408	2.073	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c(F)c1	ZINC000283575543	551390440	/nfs/dbraw/zinc/39/04/40/551390440.db2.gz	JTPUXEGTMFMQEH-CQSZACIVSA-N	1	1	361.392	2.018	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1	ZINC000283974812	551460690	/nfs/dbraw/zinc/46/06/90/551460690.db2.gz	LRVXGGWHSDZICE-IAGOWNOFSA-N	1	1	370.497	2.364	20	30		FEEDMO
COc1ccc([C@@H](C[NH+](C)C)NS(=O)(=O)c2ccccc2C#N)cc1	ZINC000284007151	551466719	/nfs/dbraw/zinc/46/67/19/551466719.db2.gz	PSBLTWYTIMTOAV-QGZVFWFLSA-N	1	1	359.451	2.148	20	30		FEEDMO
CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000284346772	551529376	/nfs/dbraw/zinc/52/93/76/551529376.db2.gz	COTGUONUWHBOJY-MRXNPFEDSA-N	1	1	353.426	2.489	20	30		FEEDMO
C#C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1)C(C)C	ZINC000284771234	551629232	/nfs/dbraw/zinc/62/92/32/551629232.db2.gz	AAVBWJHRJHCPIK-HKBOAZHASA-N	1	1	364.493	2.410	20	30		FEEDMO
C#CCN(CC)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000285171523	551714922	/nfs/dbraw/zinc/71/49/22/551714922.db2.gz	MHVGDEVZHHWFQI-UXHICEINSA-N	1	1	350.466	2.117	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1	ZINC000498913564	561537611	/nfs/dbraw/zinc/53/76/11/561537611.db2.gz	AFRBAQNFTICGJY-ZXYWRSMDSA-N	1	1	358.490	2.304	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1	ZINC000498913564	561537612	/nfs/dbraw/zinc/53/76/12/561537612.db2.gz	AFRBAQNFTICGJY-ZXYWRSMDSA-N	1	1	358.490	2.304	20	30		FEEDMO
N#Cc1ccc(OC2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)c(F)c1	ZINC000285560341	551774915	/nfs/dbraw/zinc/77/49/15/551774915.db2.gz	SLWXDLUWSGWCOX-OAHLLOKOSA-N	1	1	366.458	2.365	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@](O)(C(F)(F)F)CC3)C2=O)cc1	ZINC000285720872	551800703	/nfs/dbraw/zinc/80/07/03/551800703.db2.gz	WYHKOWKGYRSBNB-DOTOQJQBSA-N	1	1	367.371	2.443	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@](O)(C(F)(F)F)CC3)C2=O)cc1	ZINC000285720872	551800706	/nfs/dbraw/zinc/80/07/06/551800706.db2.gz	WYHKOWKGYRSBNB-DOTOQJQBSA-N	1	1	367.371	2.443	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)c(F)c1	ZINC000285941229	551829615	/nfs/dbraw/zinc/82/96/15/551829615.db2.gz	HXZQLZVJEQKBGX-CVEARBPZSA-N	1	1	356.445	2.124	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21	ZINC000286245808	551865334	/nfs/dbraw/zinc/86/53/34/551865334.db2.gz	ZTXUGQLFPYXOGB-VBSBHUPXSA-N	1	1	355.482	2.499	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)c(F)c1	ZINC000286321535	551873810	/nfs/dbraw/zinc/87/38/10/551873810.db2.gz	HNYJPKLATMMRCI-VDZJLULYSA-N	1	1	356.445	2.267	20	30		FEEDMO
C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCCCC#N)CC[N@H+]1Cc1ccccc1	ZINC000286363176	551878908	/nfs/dbraw/zinc/87/89/08/551878908.db2.gz	CNGDKHZVZXXILS-PKOBYXMFSA-N	1	1	370.497	2.308	20	30		FEEDMO
CC(C)[NH+]1CCN(C2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)CC1	ZINC000286549437	551898901	/nfs/dbraw/zinc/89/89/01/551898901.db2.gz	PZSUIGJHTMWOSB-UHFFFAOYSA-N	1	1	372.473	2.043	20	30		FEEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCCCC#N	ZINC000286685657	551914685	/nfs/dbraw/zinc/91/46/85/551914685.db2.gz	IZBWEUITDLODCB-LJQANCHMSA-N	1	1	370.497	2.167	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccccc1	ZINC000286720930	551918584	/nfs/dbraw/zinc/91/85/84/551918584.db2.gz	DHLUYTMWGNAMTJ-OALUTQOASA-N	1	1	356.470	2.394	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](CNC(=O)N2CCC(C#N)CC2)[C@@H]1c1ccccc1	ZINC000286720930	551918587	/nfs/dbraw/zinc/91/85/87/551918587.db2.gz	DHLUYTMWGNAMTJ-OALUTQOASA-N	1	1	356.470	2.394	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(C#N)c1C	ZINC000287380843	551996813	/nfs/dbraw/zinc/99/68/13/551996813.db2.gz	MWOCJENALXWHQU-CQSZACIVSA-N	1	1	360.483	2.119	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(C#N)c1C	ZINC000287380843	551996814	/nfs/dbraw/zinc/99/68/14/551996814.db2.gz	MWOCJENALXWHQU-CQSZACIVSA-N	1	1	360.483	2.119	20	30		FEEDMO
CCC[C@H]1CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000499440164	561550950	/nfs/dbraw/zinc/55/09/50/561550950.db2.gz	BPGQAXWQTXMANQ-WMZOPIPTSA-N	1	1	359.470	2.285	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000288187122	552106603	/nfs/dbraw/zinc/10/66/03/552106603.db2.gz	BFTPKKAHFRAIAP-IAGOWNOFSA-N	1	1	358.461	2.324	20	30		FEEDMO
Cc1onc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C#N	ZINC000499846592	561559685	/nfs/dbraw/zinc/55/96/85/561559685.db2.gz	JZRJZOHXBOGZPA-KBXCAEBGSA-N	1	1	352.438	2.424	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)C1=O	ZINC000499943052	561562387	/nfs/dbraw/zinc/56/23/87/561562387.db2.gz	ZUKCPYJUJQAWMP-DZGCQCFKSA-N	1	1	373.280	2.452	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1=O	ZINC000499964084	561563155	/nfs/dbraw/zinc/56/31/55/561563155.db2.gz	LGKUQTFMTNJUAL-HKUYNNGSSA-N	1	1	360.498	2.443	20	30		FEEDMO
CCC[C@]1(COC)CCC[N@@H+]1CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000289493073	552330727	/nfs/dbraw/zinc/33/07/27/552330727.db2.gz	SVDKVCNIIZRFBP-QGZVFWFLSA-N	1	1	351.472	2.008	20	30		FEEDMO
CCC[C@]1(COC)CCC[N@H+]1CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000289493073	552330728	/nfs/dbraw/zinc/33/07/28/552330728.db2.gz	SVDKVCNIIZRFBP-QGZVFWFLSA-N	1	1	351.472	2.008	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1	ZINC000289549574	552339217	/nfs/dbraw/zinc/33/92/17/552339217.db2.gz	UGMLXBILABQLII-HXUWFJFHSA-N	1	1	360.461	2.311	20	30		FEEDMO
C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(F)c(F)c1	ZINC000290125123	552430949	/nfs/dbraw/zinc/43/09/49/552430949.db2.gz	ZEBCTEHIIONUPS-LLVKDONJSA-N	1	1	351.378	2.356	20	30		FEEDMO
C[C@H](NC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000290859192	552551203	/nfs/dbraw/zinc/55/12/03/552551203.db2.gz	RRXONABOZKOOQJ-ZFWWWQNUSA-N	1	1	372.444	2.405	20	30		FEEDMO
C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccccc1	ZINC000290895121	552557280	/nfs/dbraw/zinc/55/72/80/552557280.db2.gz	VGDIMYYGGTXZHV-MSOLQXFVSA-N	1	1	366.396	2.197	20	30		FEEDMO
CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292082681	552691943	/nfs/dbraw/zinc/69/19/43/552691943.db2.gz	DRWAMNUEMOVJKN-GOSISDBHSA-N	1	1	368.412	2.204	20	30		FEEDMO
CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292082681	552691945	/nfs/dbraw/zinc/69/19/45/552691945.db2.gz	DRWAMNUEMOVJKN-GOSISDBHSA-N	1	1	368.412	2.204	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@@H](O)C12CCCC2	ZINC000292830936	552762804	/nfs/dbraw/zinc/76/28/04/552762804.db2.gz	UBPPCPYFWGHXIO-QGZVFWFLSA-N	1	1	365.437	2.062	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@@H](O)C12CCCC2	ZINC000292830936	552762806	/nfs/dbraw/zinc/76/28/06/552762806.db2.gz	UBPPCPYFWGHXIO-QGZVFWFLSA-N	1	1	365.437	2.062	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1	ZINC000293326035	552811642	/nfs/dbraw/zinc/81/16/42/552811642.db2.gz	GFPBTNNKRBCDQE-IXDOHACOSA-N	1	1	358.486	2.355	20	30		FEEDMO
CC#CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000501785530	561605419	/nfs/dbraw/zinc/60/54/19/561605419.db2.gz	LSACDGMDEDWIER-UXHICEINSA-N	1	1	350.466	2.165	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)c1ccccc1	ZINC000294537602	552914215	/nfs/dbraw/zinc/91/42/15/552914215.db2.gz	VRBUPNGGECLONI-GOSISDBHSA-N	1	1	361.442	2.420	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2	ZINC000295115687	552960496	/nfs/dbraw/zinc/96/04/96/552960496.db2.gz	JBMGDGXAHMEZQO-IEBWSBKVSA-N	1	1	374.529	2.429	20	30		FEEDMO
C[N@@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC(C)(C)CO	ZINC000295335127	552989539	/nfs/dbraw/zinc/98/95/39/552989539.db2.gz	XMLYMXOJJMKGQB-UHFFFAOYSA-N	1	1	356.388	2.123	20	30		FEEDMO
CC(C)(CC#N)CS(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000295671767	553042635	/nfs/dbraw/zinc/04/26/35/553042635.db2.gz	BIDKTBXZXPMBSR-UHFFFAOYSA-N	1	1	374.510	2.336	20	30		FEEDMO
CC(C)(CC#N)CS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000295671767	553042637	/nfs/dbraw/zinc/04/26/37/553042637.db2.gz	BIDKTBXZXPMBSR-UHFFFAOYSA-N	1	1	374.510	2.336	20	30		FEEDMO
CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](CCOCCC#N)CC1	ZINC000295743865	553053556	/nfs/dbraw/zinc/05/35/56/553053556.db2.gz	WTNMOFZOFMKOHC-UHFFFAOYSA-N	1	1	358.438	2.445	20	30		FEEDMO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1	ZINC000296080342	553101660	/nfs/dbraw/zinc/10/16/60/553101660.db2.gz	XGIFKXUSZMIXEI-HNNXBMFYSA-N	1	1	355.490	2.175	20	30		FEEDMO
CCOC(=O)c1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH]c1C	ZINC000296125384	553108754	/nfs/dbraw/zinc/10/87/54/553108754.db2.gz	UCNAHBNABJUWLP-MRXNPFEDSA-N	1	1	354.410	2.420	20	30		FEEDMO
CCOC(=O)c1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)[nH]c1C	ZINC000296125384	553108756	/nfs/dbraw/zinc/10/87/56/553108756.db2.gz	UCNAHBNABJUWLP-MRXNPFEDSA-N	1	1	354.410	2.420	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1	ZINC000296280267	553134373	/nfs/dbraw/zinc/13/43/73/553134373.db2.gz	BRLGDINQRDHRCX-CQSZACIVSA-N	1	1	371.441	2.061	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1	ZINC000296471250	553165341	/nfs/dbraw/zinc/16/53/41/553165341.db2.gz	VZNGNMAYHFUZIN-CQSZACIVSA-N	1	1	363.458	2.028	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1	ZINC000296541965	553177077	/nfs/dbraw/zinc/17/70/77/553177077.db2.gz	QGWJWVAEWYAISA-ZDUSSCGKSA-N	1	1	359.405	2.191	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000502977814	561631391	/nfs/dbraw/zinc/63/13/91/561631391.db2.gz	BFWPIQZZAJGDNG-NVXWUHKLSA-N	1	1	373.476	2.402	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000502977815	561631407	/nfs/dbraw/zinc/63/14/07/561631407.db2.gz	BFWPIQZZAJGDNG-RDJZCZTQSA-N	1	1	373.476	2.402	20	30		FEEDMO
Cc1nn(C)c2ncc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc12	ZINC000298731217	553465189	/nfs/dbraw/zinc/46/51/89/553465189.db2.gz	SYWTZPKXOUPVHT-UHFFFAOYSA-N	1	1	360.465	2.466	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000298796215	553474137	/nfs/dbraw/zinc/47/41/37/553474137.db2.gz	LSWOVGJBGNKUNZ-SJORKVTESA-N	1	1	357.454	2.434	20	30		FEEDMO
COC(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000298796215	553474139	/nfs/dbraw/zinc/47/41/39/553474139.db2.gz	LSWOVGJBGNKUNZ-SJORKVTESA-N	1	1	357.454	2.434	20	30		FEEDMO
CS(=O)(=O)C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccccc1	ZINC000298877093	553483806	/nfs/dbraw/zinc/48/38/06/553483806.db2.gz	JXEIMRXQSVPOSN-SFHVURJKSA-N	1	1	371.462	2.262	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000299097404	553515239	/nfs/dbraw/zinc/51/52/39/553515239.db2.gz	KWNHAKHCRVJQQL-FQEVSTJZSA-N	1	1	371.525	2.434	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000503910656	561649707	/nfs/dbraw/zinc/64/97/07/561649707.db2.gz	OCLBMASPORXUEZ-MAUKXSAKSA-N	1	1	371.485	2.083	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2CC(=O)Nc2sccc2C#N)C[C@H](C)O1	ZINC000299274799	553540925	/nfs/dbraw/zinc/54/09/25/553540925.db2.gz	PXIUCZNKVVRPJD-IJEWVQPXSA-N	1	1	362.499	2.132	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2CC(=O)Nc2sccc2C#N)C[C@H](C)O1	ZINC000299274799	553540926	/nfs/dbraw/zinc/54/09/26/553540926.db2.gz	PXIUCZNKVVRPJD-IJEWVQPXSA-N	1	1	362.499	2.132	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c(F)c1	ZINC000301165140	553627482	/nfs/dbraw/zinc/62/74/82/553627482.db2.gz	VCILABCGZULNPR-KRWDZBQOSA-N	1	1	355.413	2.259	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)C1	ZINC000301254070	553636184	/nfs/dbraw/zinc/63/61/84/553636184.db2.gz	DAYNMZKXISESLZ-CQSZACIVSA-N	1	1	353.392	2.188	20	30		FEEDMO
C[N@H+](CC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)Cc1ccccc1	ZINC000504890679	561663705	/nfs/dbraw/zinc/66/37/05/561663705.db2.gz	XIOBSRZPMVPUGK-UHFFFAOYSA-N	1	1	366.440	2.478	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCN(c2ccc(C#N)cc2F)CC1)Cc1ccccc1	ZINC000504890679	561663706	/nfs/dbraw/zinc/66/37/06/561663706.db2.gz	XIOBSRZPMVPUGK-UHFFFAOYSA-N	1	1	366.440	2.478	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)CN1CCN(Cc2ccccc2)CC1	ZINC000310707344	553753678	/nfs/dbraw/zinc/75/36/78/553753678.db2.gz	LASVQLAKOZCGHA-HXUWFJFHSA-N	1	1	351.450	2.116	20	30		FEEDMO
C[C@@H]1[C@H](NS(=O)(=O)c2ccccc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000310778470	553754048	/nfs/dbraw/zinc/75/40/48/553754048.db2.gz	OGQXOJRRJUCKKE-CRAIPNDOSA-N	1	1	355.463	2.500	20	30		FEEDMO
Cn1cc([C@@H]2C[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C[C@H]2CO)cn1	ZINC000328609498	553795687	/nfs/dbraw/zinc/79/56/87/553795687.db2.gz	MVFNYYNPTJMUJQ-ZETIMSEASA-N	1	1	372.513	2.353	20	30		FEEDMO
Cn1cc([C@@H]2C[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C[C@H]2CO)cn1	ZINC000328609498	553795689	/nfs/dbraw/zinc/79/56/89/553795689.db2.gz	MVFNYYNPTJMUJQ-ZETIMSEASA-N	1	1	372.513	2.353	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000328609472	553795764	/nfs/dbraw/zinc/79/57/64/553795764.db2.gz	MTZYILOXVBPPTO-JZXOWHBKSA-N	1	1	351.491	2.067	20	30		FEEDMO
CC1(C)CN(CCNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCO1	ZINC000328613698	553796157	/nfs/dbraw/zinc/79/61/57/553796157.db2.gz	QOJJAAKSTBIKHB-GOSISDBHSA-N	1	1	366.550	2.398	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CCN(C(=O)C2CC2)CC1	ZINC000328673569	553805437	/nfs/dbraw/zinc/80/54/37/553805437.db2.gz	JDBZZSSLXOMPKZ-XHSDSOJGSA-N	1	1	364.534	2.257	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(C(=O)N[C@H]3CCC(=O)NC34CCC4)CC2)CCO1	ZINC000328682341	553806838	/nfs/dbraw/zinc/80/68/38/553806838.db2.gz	CYBPKYJHKMPSBB-ZBFHGGJFSA-N	1	1	364.490	2.127	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O	ZINC000328697683	553808853	/nfs/dbraw/zinc/80/88/53/553808853.db2.gz	DRBFSHMKXAKZAF-MDNKFWRPSA-N	1	1	371.481	2.184	20	30		FEEDMO
C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCOC[C@@H](C)C1	ZINC000328703033	553809566	/nfs/dbraw/zinc/80/95/66/553809566.db2.gz	XPQQMXJBNCZPPW-STQMWFEESA-N	1	1	363.414	2.317	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CCCC23CCOCC3)C[C@@H]1[NH+]1CCOCC1	ZINC000328714666	553811265	/nfs/dbraw/zinc/81/12/65/553811265.db2.gz	ODNJWGJNAGLJMQ-FGTMMUONSA-N	1	1	365.518	2.292	20	30		FEEDMO
CC(C)C[C@H](CNC(=O)N[C@@H]1CCC(=O)NC12CCC2)[NH+]1CCOCC1	ZINC000328743757	553815281	/nfs/dbraw/zinc/81/52/81/553815281.db2.gz	NPTSKDRVJWXOQC-HZPDHXFCSA-N	1	1	366.506	2.279	20	30		FEEDMO
C[C@@H]1C(=O)NCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1	ZINC000328797697	553823255	/nfs/dbraw/zinc/82/32/55/553823255.db2.gz	WAGDORFJKYZPJJ-DOMZBBRYSA-N	1	1	361.446	2.045	20	30		FEEDMO
O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[C@@H]1CCc2c[nH]nc2C1	ZINC000328814978	553826633	/nfs/dbraw/zinc/82/66/33/553826633.db2.gz	CGTWQYDQSGPGTK-NJAFHUGGSA-N	1	1	354.454	2.107	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000328835519	553830109	/nfs/dbraw/zinc/83/01/09/553830109.db2.gz	MJLPOXRJPOJMKI-MUZJZNNISA-N	1	1	360.502	2.002	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000328835519	553830110	/nfs/dbraw/zinc/83/01/10/553830110.db2.gz	MJLPOXRJPOJMKI-MUZJZNNISA-N	1	1	360.502	2.002	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCCN(c2ccccc2F)C1=O	ZINC000328867054	553835903	/nfs/dbraw/zinc/83/59/03/553835903.db2.gz	GWQMJPFWNPVSDW-CZUORRHYSA-N	1	1	360.433	2.061	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O	ZINC000328935244	553848557	/nfs/dbraw/zinc/84/85/57/553848557.db2.gz	AHEXUIMHTLVRGG-NTDBWNAOSA-N	1	1	353.507	2.027	20	30		FEEDMO
C[N@H+]1C[C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)[C@H](c2ccccc2)C1	ZINC000328959673	553853534	/nfs/dbraw/zinc/85/35/34/553853534.db2.gz	KCTMYDZVNBABEY-MHORFTMASA-N	1	1	369.465	2.216	20	30		FEEDMO
C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1nc2c(s1)CCC2	ZINC000328979879	553858033	/nfs/dbraw/zinc/85/80/33/553858033.db2.gz	RFALCNRZXOTYEO-WRSAYESZSA-N	1	1	365.499	2.472	20	30		FEEDMO
CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCOC3(CCCCC3)C2)[N@@H+](C)C1	ZINC000328994888	553860836	/nfs/dbraw/zinc/86/08/36/553860836.db2.gz	GGJWHFXXFBDLAI-ULQDDVLXSA-N	1	1	353.507	2.433	20	30		FEEDMO
CN1CCOC[C@@H]1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000328993395	553860888	/nfs/dbraw/zinc/86/08/88/553860888.db2.gz	DSDVMPILWRNXMD-MRXNPFEDSA-N	1	1	353.507	2.087	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C[C@@H]1C	ZINC000329023422	553866611	/nfs/dbraw/zinc/86/66/11/553866611.db2.gz	ISEGCCINXVFJBE-YESZJQIVSA-N	1	1	360.506	2.082	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000329039243	553869764	/nfs/dbraw/zinc/86/97/64/553869764.db2.gz	NVXIKEHLCNGSDM-HSFUPAIVSA-N	1	1	351.491	2.043	20	30		FEEDMO
CN1CCOC[C@@H]1C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000329049732	553871165	/nfs/dbraw/zinc/87/11/65/553871165.db2.gz	WCQZBJDJARDPOP-ZWKOTPCHSA-N	1	1	374.485	2.221	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](c2nc(C)no2)C2CCOCC2)C1	ZINC000329110133	553882198	/nfs/dbraw/zinc/88/21/98/553882198.db2.gz	GFICBXGEXKTBRT-GDBMZVCRSA-N	1	1	365.478	2.081	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CC(=O)N(C2CCCCC2)C1	ZINC000329193566	553899280	/nfs/dbraw/zinc/89/92/80/553899280.db2.gz	UFRSWMWIHXXLMF-NVXWUHKLSA-N	1	1	350.507	2.250	20	30		FEEDMO
O=C(Nc1ccc(F)cc1)N[C@H]1CCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1	ZINC000329215968	553904434	/nfs/dbraw/zinc/90/44/34/553904434.db2.gz	NQTSQJMPEYMNSV-OKZBNKHCSA-N	1	1	362.449	2.089	20	30		FEEDMO
C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cc(F)c(F)cc1N1CCOCC1	ZINC000329217816	553904682	/nfs/dbraw/zinc/90/46/82/553904682.db2.gz	QVWNNLMEOOHSBX-ZDUSSCGKSA-N	1	1	369.412	2.358	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](c1nccn1C)C1CCOCC1	ZINC000329259298	553912908	/nfs/dbraw/zinc/91/29/08/553912908.db2.gz	AFFQPYPZMJLUTN-HYVNUMGLSA-N	1	1	363.506	2.074	20	30		FEEDMO
CC(C)c1nnc2n1C[C@@H](NC(=O)NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2	ZINC000329364018	553932184	/nfs/dbraw/zinc/93/21/84/553932184.db2.gz	ZWOZNFWQOIICIO-HNSVSWJLSA-N	1	1	360.506	2.235	20	30		FEEDMO
CC(C)c1nnc2n1C[C@@H](NC([O-])=[NH+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2	ZINC000329364018	553932189	/nfs/dbraw/zinc/93/21/89/553932189.db2.gz	ZWOZNFWQOIICIO-HNSVSWJLSA-N	1	1	360.506	2.235	20	30		FEEDMO
CC(C)c1nnc2n1C[C@@H](NC([O-])=[NH+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2	ZINC000329364018	553932197	/nfs/dbraw/zinc/93/21/97/553932197.db2.gz	ZWOZNFWQOIICIO-HNSVSWJLSA-N	1	1	360.506	2.235	20	30		FEEDMO
CC(C)c1nnc2n1C[C@@H]([NH+]=C([O-])NC1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2	ZINC000329364018	553932201	/nfs/dbraw/zinc/93/22/01/553932201.db2.gz	ZWOZNFWQOIICIO-HNSVSWJLSA-N	1	1	360.506	2.235	20	30		FEEDMO
CC(C)c1nnc2n1C[C@@H]([NH+]=C([O-])NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2	ZINC000329364018	553932206	/nfs/dbraw/zinc/93/22/06/553932206.db2.gz	ZWOZNFWQOIICIO-HNSVSWJLSA-N	1	1	360.506	2.235	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C(=O)CCc3ccccc32)C1	ZINC000329439178	553947337	/nfs/dbraw/zinc/94/73/37/553947337.db2.gz	JXHWONPWFNKUKW-KRWDZBQOSA-N	1	1	359.470	2.279	20	30		FEEDMO
O=C(C[N@@H+]1CCOCC2(CCOCC2)C1)NCCOc1ccc(F)cc1	ZINC000329561975	553968027	/nfs/dbraw/zinc/96/80/27/553968027.db2.gz	MZDOICHONXBIFB-UHFFFAOYSA-N	1	1	366.433	2.290	20	30		FEEDMO
O=C(C[N@H+]1CCOCC2(CCOCC2)C1)NCCOc1ccc(F)cc1	ZINC000329561975	553968029	/nfs/dbraw/zinc/96/80/29/553968029.db2.gz	MZDOICHONXBIFB-UHFFFAOYSA-N	1	1	366.433	2.290	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cc2c(F)cccc2C#N)C[C@H](C)O1	ZINC000506858380	561710190	/nfs/dbraw/zinc/71/01/90/561710190.db2.gz	BNEITKDCLDKQIE-UXLLHSPISA-N	1	1	359.445	2.340	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Cc2c(F)cccc2C#N)C[C@H](C)O1	ZINC000506858380	561710191	/nfs/dbraw/zinc/71/01/91/561710191.db2.gz	BNEITKDCLDKQIE-UXLLHSPISA-N	1	1	359.445	2.340	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)C1	ZINC000329604433	553975389	/nfs/dbraw/zinc/97/53/89/553975389.db2.gz	LTTFGNISMWQZAD-SQNIBIBYSA-N	1	1	365.518	2.291	20	30		FEEDMO
C[C@H](NC(=O)N[C@H]1CCN(c2ncccc2Cl)C1)C1=CC[N@@H+](C)CC1	ZINC000329707909	553993041	/nfs/dbraw/zinc/99/30/41/553993041.db2.gz	LWBKMTMQJQGMEV-ZFWWWQNUSA-N	1	1	363.893	2.468	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C)nn3)C2)C1	ZINC000329779094	554004026	/nfs/dbraw/zinc/00/40/26/554004026.db2.gz	QRIASZAQZJGPOK-ZWKOTPCHSA-N	1	1	374.533	2.332	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@H](C)O)[C@H](C)C2)C1	ZINC000329781431	554004695	/nfs/dbraw/zinc/00/46/95/554004695.db2.gz	NHCWJBCNCLOQHZ-AJYBTWMASA-N	1	1	374.529	2.123	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@H](C)O)[C@H](C)C2)C1	ZINC000329781431	554004698	/nfs/dbraw/zinc/00/46/98/554004698.db2.gz	NHCWJBCNCLOQHZ-AJYBTWMASA-N	1	1	374.529	2.123	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCN(C[C@H](C)O)[C@H](C)C2)C1	ZINC000329781431	554004708	/nfs/dbraw/zinc/00/47/08/554004708.db2.gz	NHCWJBCNCLOQHZ-AJYBTWMASA-N	1	1	374.529	2.123	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCCN(C(=O)c3ccsc3)CC2)CC[N@H+]1C	ZINC000329792969	554007093	/nfs/dbraw/zinc/00/70/93/554007093.db2.gz	APOZJTQFRFJGIA-ZBFHGGJFSA-N	1	1	364.515	2.293	20	30		FEEDMO
C[C@@H]1CC(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C[C@@H](C)O1	ZINC000329795276	554007445	/nfs/dbraw/zinc/00/74/45/554007445.db2.gz	CTDDERKWFUIPHH-JFIYKMOQSA-N	1	1	353.507	2.291	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O	ZINC000329805258	554009271	/nfs/dbraw/zinc/00/92/71/554009271.db2.gz	MUVBFBBAYFDWPK-QRVBRYPASA-N	1	1	370.497	2.260	20	30		FEEDMO
CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CCO2)o1	ZINC000329897951	554027142	/nfs/dbraw/zinc/02/71/42/554027142.db2.gz	DKSFFJGCMJZACN-KFWWJZLASA-N	1	1	363.462	2.107	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C)O1	ZINC000329906629	554029028	/nfs/dbraw/zinc/02/90/28/554029028.db2.gz	KGNQNDNYGTWUSD-MPTYRVRUSA-N	1	1	353.507	2.288	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C)O1	ZINC000329906629	554029029	/nfs/dbraw/zinc/02/90/29/554029029.db2.gz	KGNQNDNYGTWUSD-MPTYRVRUSA-N	1	1	353.507	2.288	20	30		FEEDMO
CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)NCC2CCC2)cc[nH+]1	ZINC000329933814	554034632	/nfs/dbraw/zinc/03/46/32/554034632.db2.gz	JJFSGBZQQQBDJN-GJZGRUSLSA-N	1	1	364.469	2.105	20	30		FEEDMO
CC(C)[C@H](C)NC(=O)C1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1	ZINC000507357808	561726049	/nfs/dbraw/zinc/72/60/49/561726049.db2.gz	JQSJSZOCTGESLG-INIZCTEOSA-N	1	1	370.497	2.047	20	30		FEEDMO
C[NH+]1CCN(CCC(C)(C)NC(=O)C2CCN(c3cnccn3)CC2)CC1	ZINC000329963837	554039631	/nfs/dbraw/zinc/03/96/31/554039631.db2.gz	QCYRSEDTGIHDPL-UHFFFAOYSA-N	1	1	374.533	2.066	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)C[C@H]1C	ZINC000330000248	554047445	/nfs/dbraw/zinc/04/74/45/554047445.db2.gz	WCSKRSUHZXIHTE-VUNQQRPYSA-N	1	1	362.474	2.336	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1	ZINC000330018078	554050016	/nfs/dbraw/zinc/05/00/16/554050016.db2.gz	SFGGTZWHMWGTNK-PBHICJAKSA-N	1	1	369.473	2.047	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1	ZINC000330030339	554051853	/nfs/dbraw/zinc/05/18/53/554051853.db2.gz	RLOSVQCCVCRMEC-INIZCTEOSA-N	1	1	374.533	2.440	20	30		FEEDMO
CC(C)C(=O)N1CCCC[C@@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1	ZINC000330043985	554054106	/nfs/dbraw/zinc/05/41/06/554054106.db2.gz	FNCVHQXJRPWVDW-MRXNPFEDSA-N	1	1	361.490	2.383	20	30		FEEDMO
Cn1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(-c2ccc(Cl)s2)n1	ZINC000330074445	554059962	/nfs/dbraw/zinc/05/99/62/554059962.db2.gz	FPZRPAQQWDCDFY-NSHDSACASA-N	1	1	367.906	2.352	20	30		FEEDMO
CCc1nc2c(s1)[C@H](N(C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)CCC2	ZINC000330108317	554066196	/nfs/dbraw/zinc/06/61/96/554066196.db2.gz	NMLNDOTVPWLDKQ-UKRRQHHQSA-N	1	1	365.547	2.175	20	30		FEEDMO
CN1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1=O	ZINC000330151473	554074450	/nfs/dbraw/zinc/07/44/50/554074450.db2.gz	LLCYETMAUFTBHR-GUDVDZBRSA-N	1	1	370.497	2.118	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)N[C@H]2CCCOC2)[C@@H]1c1cnn(C)c1	ZINC000330187479	554080814	/nfs/dbraw/zinc/08/08/14/554080814.db2.gz	SZMHJMAPQXIUEK-RYQLBKOJSA-N	1	1	363.506	2.218	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F	ZINC000330197201	554083247	/nfs/dbraw/zinc/08/32/47/554083247.db2.gz	RMHXLHQKCCDXFB-KDOFPFPSSA-N	1	1	363.458	2.335	20	30		FEEDMO
CC[C@H](NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)c1nnc2n1CCCCC2	ZINC000330200833	554083811	/nfs/dbraw/zinc/08/38/11/554083811.db2.gz	XAALGJNNICPKPJ-KXBFYZLASA-N	1	1	360.506	2.397	20	30		FEEDMO
Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1N1CCNC1=O	ZINC000330206282	554085060	/nfs/dbraw/zinc/08/50/60/554085060.db2.gz	DDLHZMJKSKVHES-CVEARBPZSA-N	1	1	357.458	2.491	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2ccc3c(c2)N(C)CCO3)C[C@H]1[NH+]1CCOCC1	ZINC000330256154	554093791	/nfs/dbraw/zinc/09/37/91/554093791.db2.gz	KKGBLRKOZQBPEO-MAUKXSAKSA-N	1	1	374.485	2.103	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2ccc(C)c3c[nH]nc32)C[C@H]1[NH+]1CCOCC1	ZINC000330258449	554094599	/nfs/dbraw/zinc/09/45/99/554094599.db2.gz	MKJQSLZBCYCEEC-WMLDXEAASA-N	1	1	357.458	2.459	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C12CCC2	ZINC000330269636	554096472	/nfs/dbraw/zinc/09/64/72/554096472.db2.gz	SDMIDUKPBCNWJI-RYQLBKOJSA-N	1	1	365.518	2.433	20	30		FEEDMO
Cc1noc(C)c1C[C@H](C)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000330272288	554097121	/nfs/dbraw/zinc/09/71/21/554097121.db2.gz	XJXXISGKXDXRHZ-UONOGXRCSA-N	1	1	364.490	2.322	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](Oc3ncccc3F)C2)CC[N@H+]1C	ZINC000330271082	554097203	/nfs/dbraw/zinc/09/72/03/554097203.db2.gz	VJCRFVTWNFXPNT-KFWWJZLASA-N	1	1	350.438	2.461	20	30		FEEDMO
Cc1nccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1	ZINC000330275982	554097891	/nfs/dbraw/zinc/09/78/91/554097891.db2.gz	MGRZJYCVFCPTGH-WMLDXEAASA-N	1	1	357.462	2.079	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC(C)(C)OC1(C)C	ZINC000330325582	554105582	/nfs/dbraw/zinc/10/55/82/554105582.db2.gz	URZHWAMHLRKCJJ-GDBMZVCRSA-N	1	1	353.507	2.432	20	30		FEEDMO
Cc1nnc([C@H](C)NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)s1	ZINC000330324234	554105604	/nfs/dbraw/zinc/10/56/04/554105604.db2.gz	UAPOWZBHJQINSA-NEPJUHHUSA-N	1	1	353.492	2.007	20	30		FEEDMO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)NCC[N@@H+](C)C1CCCC1	ZINC000330338157	554107681	/nfs/dbraw/zinc/10/76/81/554107681.db2.gz	VAOPRXCPHKLVCQ-WMZOPIPTSA-N	1	1	363.506	2.245	20	30		FEEDMO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1	ZINC000330375332	554113089	/nfs/dbraw/zinc/11/30/89/554113089.db2.gz	NROXGVNIBILWTK-IAGOWNOFSA-N	1	1	370.563	2.299	20	30		FEEDMO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000330387987	554114767	/nfs/dbraw/zinc/11/47/67/554114767.db2.gz	NBXXUJDUAJOVGU-YCPHGPKFSA-N	1	1	370.544	2.057	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O	ZINC000330467091	554125763	/nfs/dbraw/zinc/12/57/63/554125763.db2.gz	IKBDUKIFRBHAPF-UONOGXRCSA-N	1	1	367.515	2.432	20	30		FEEDMO
N#Cc1c(Br)cccc1S(=O)(=O)NCC[NH+]1CCCCC1	ZINC000330474616	554125984	/nfs/dbraw/zinc/12/59/84/554125984.db2.gz	IJVLQBKQMLIBAG-UHFFFAOYSA-N	1	1	372.288	2.085	20	30		FEEDMO
CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000330663395	554153554	/nfs/dbraw/zinc/15/35/54/554153554.db2.gz	DZMYLBAIBJMADZ-LLVKDONJSA-N	1	1	372.288	2.083	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)C1	ZINC000330663395	554153561	/nfs/dbraw/zinc/15/35/61/554153561.db2.gz	DZMYLBAIBJMADZ-LLVKDONJSA-N	1	1	372.288	2.083	20	30		FEEDMO
CSCc1cc(F)ccc1CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1	ZINC000330700980	554159495	/nfs/dbraw/zinc/15/94/95/554159495.db2.gz	IUHNLMNCPHKBEO-KGLIPLIRSA-N	1	1	369.506	2.490	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc(NC(=O)C(C)(C)C)ccc1F	ZINC000330928750	554190201	/nfs/dbraw/zinc/19/02/01/554190201.db2.gz	ZRSGVJTTXPXROP-CQSZACIVSA-N	1	1	364.465	2.361	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(S(C)(=O)=O)s2)[C@@H](C)C1	ZINC000330950325	554192995	/nfs/dbraw/zinc/19/29/95/554192995.db2.gz	JLLMOQHUVOIHRB-JSGCOSHPSA-N	1	1	373.544	2.228	20	30		FEEDMO
COC(=O)[C@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)C[C@H]1C	ZINC000331066578	554208198	/nfs/dbraw/zinc/20/81/98/554208198.db2.gz	QXZDAJIYRIYJLW-CABCVRRESA-N	1	1	361.442	2.096	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccc(C)cc2C)C[C@H]1C	ZINC000331066578	554208199	/nfs/dbraw/zinc/20/81/99/554208199.db2.gz	QXZDAJIYRIYJLW-CABCVRRESA-N	1	1	361.442	2.096	20	30		FEEDMO
Cc1nccc(NC(=O)N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)n1	ZINC000331131042	554218739	/nfs/dbraw/zinc/21/87/39/554218739.db2.gz	AYMGQJQARJDCKT-UHFFFAOYSA-N	1	1	363.462	2.068	20	30		FEEDMO
Cc1nccc(NC(=O)N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)n1	ZINC000331131042	554218740	/nfs/dbraw/zinc/21/87/40/554218740.db2.gz	AYMGQJQARJDCKT-UHFFFAOYSA-N	1	1	363.462	2.068	20	30		FEEDMO
CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(CS(C)(=O)=O)c2C)C1	ZINC000331138473	554220280	/nfs/dbraw/zinc/22/02/80/554220280.db2.gz	QPUZGRJUICGRFT-HNNXBMFYSA-N	1	1	367.515	2.359	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(Cl)ccc2N(C)C)[C@@H](C)C1	ZINC000331192421	554228888	/nfs/dbraw/zinc/22/88/88/554228888.db2.gz	RMOQMCDFUYEGRJ-QWHCGFSZSA-N	1	1	354.882	2.338	20	30		FEEDMO
COCC[N@@H+]1CCN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@@H]1C	ZINC000331233529	554234361	/nfs/dbraw/zinc/23/43/61/554234361.db2.gz	CAZLSVSVKVYMCL-HNNXBMFYSA-N	1	1	359.474	2.117	20	30		FEEDMO
COCC[N@H+]1CCN(C(=O)Nc2cc(C)c(N(C)C)cc2C#N)C[C@@H]1C	ZINC000331233529	554234364	/nfs/dbraw/zinc/23/43/64/554234364.db2.gz	CAZLSVSVKVYMCL-HNNXBMFYSA-N	1	1	359.474	2.117	20	30		FEEDMO
C[N@H+]1CCN(CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1(C)C	ZINC000331270673	554239232	/nfs/dbraw/zinc/23/92/32/554239232.db2.gz	MPDJWKGWHNTVJF-UHFFFAOYSA-N	1	1	353.398	2.086	20	30		FEEDMO
C=CCn1c(COCC)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000508801750	561773344	/nfs/dbraw/zinc/77/33/44/561773344.db2.gz	NFNRTUNVCRUDOP-UHFFFAOYSA-N	1	1	366.469	2.194	20	30		FEEDMO
COc1cc(C)c(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1OC	ZINC000331308334	554245553	/nfs/dbraw/zinc/24/55/53/554245553.db2.gz	XCRWYIIEAGXRMV-CQSZACIVSA-N	1	1	365.474	2.335	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cn(C)nc2C(F)(F)F)CC[N@@H+]1CCOC	ZINC000331323809	554247041	/nfs/dbraw/zinc/24/70/41/554247041.db2.gz	MRIFZDMCYGANHR-NSHDSACASA-N	1	1	363.384	2.027	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cn(C)nc2C(F)(F)F)CC[N@H+]1CCOC	ZINC000331323809	554247042	/nfs/dbraw/zinc/24/70/42/554247042.db2.gz	MRIFZDMCYGANHR-NSHDSACASA-N	1	1	363.384	2.027	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(C(=O)[C@H](C#N)CCc3ccccc3)CC2)CCO1	ZINC000331391202	554256667	/nfs/dbraw/zinc/25/66/67/554256667.db2.gz	KBFVOQRDWSNDAO-MJGOQNOKSA-N	1	1	355.482	2.471	20	30		FEEDMO
C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1	ZINC000508904756	561777804	/nfs/dbraw/zinc/77/78/04/561777804.db2.gz	VVGKTVDIBQOULX-GOSISDBHSA-N	1	1	353.470	2.214	20	30		FEEDMO
C=CCn1c(-c2ccc(CC)cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1	ZINC000508904756	561777805	/nfs/dbraw/zinc/77/78/05/561777805.db2.gz	VVGKTVDIBQOULX-GOSISDBHSA-N	1	1	353.470	2.214	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1	ZINC000331614004	554295074	/nfs/dbraw/zinc/29/50/74/554295074.db2.gz	KKDLTLQVHFYTLB-LZQZEXGQSA-N	1	1	356.470	2.370	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(S(=O)(=O)Cc3ccc(F)cc3C#N)CC2)c1	ZINC000332561879	554471994	/nfs/dbraw/zinc/47/19/94/554471994.db2.gz	VQNLAXNYCRAGOD-UHFFFAOYSA-N	1	1	374.441	2.053	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)[nH]1	ZINC000610564454	554529759	/nfs/dbraw/zinc/52/97/59/554529759.db2.gz	ONFRRWXRCJIQFJ-KRWDZBQOSA-N	1	1	352.442	2.468	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)[nH]1	ZINC000610564454	554529765	/nfs/dbraw/zinc/52/97/65/554529765.db2.gz	ONFRRWXRCJIQFJ-KRWDZBQOSA-N	1	1	352.442	2.468	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N=c1[nH]n(C)cc1C#N	ZINC000610563519	554529946	/nfs/dbraw/zinc/52/99/46/554529946.db2.gz	HAPKEEQJPZGUBR-YOEHRIQHSA-N	1	1	352.442	2.324	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N=c1[nH]n(C)cc1C#N	ZINC000610563519	554529948	/nfs/dbraw/zinc/52/99/48/554529948.db2.gz	HAPKEEQJPZGUBR-YOEHRIQHSA-N	1	1	352.442	2.324	20	30		FEEDMO
CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N=c1[nH]n(C)cc1C#N	ZINC000610565347	554530938	/nfs/dbraw/zinc/53/09/38/554530938.db2.gz	SHFYACDKOWUVIN-MRXNPFEDSA-N	1	1	352.442	2.278	20	30		FEEDMO
CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N=c1[nH]n(C)cc1C#N	ZINC000610565347	554530941	/nfs/dbraw/zinc/53/09/41/554530941.db2.gz	SHFYACDKOWUVIN-MRXNPFEDSA-N	1	1	352.442	2.278	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@@H]21	ZINC000333887316	554652526	/nfs/dbraw/zinc/65/25/26/554652526.db2.gz	XXBXFGPOFBGCOP-APWZRJJASA-N	1	1	356.445	2.076	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1=O	ZINC000348608152	554691344	/nfs/dbraw/zinc/69/13/44/554691344.db2.gz	ZWEUMDPFOUUBEM-ROUUACIJSA-N	1	1	357.454	2.020	20	30		FEEDMO
Cc1nc(SCC(=O)NCc2c[nH+]c(N(C)C)n2C)c(C#N)c(C)c1C	ZINC000511216371	561861640	/nfs/dbraw/zinc/86/16/40/561861640.db2.gz	RVPQGZKKTFZRAT-UHFFFAOYSA-N	1	1	372.498	2.087	20	30		FEEDMO
N#Cc1ccccc1N1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1	ZINC000361525343	554923709	/nfs/dbraw/zinc/92/37/09/554923709.db2.gz	IRQJLAPVQBCLAK-SJLPKXTDSA-N	1	1	367.497	2.311	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1	ZINC000361802105	554935809	/nfs/dbraw/zinc/93/58/09/554935809.db2.gz	WZZXKSUPLVZUFC-AWEZNQCLSA-N	1	1	368.437	2.268	20	30		FEEDMO
C[NH+]1CCN(C[C@H]2CCCN(c3nc(C(F)(F)F)ccc3C#N)C2)CC1	ZINC000361831923	554937000	/nfs/dbraw/zinc/93/70/00/554937000.db2.gz	XRFMQRITKWKQRQ-CQSZACIVSA-N	1	1	367.419	2.436	20	30		FEEDMO
Cn1cc([C@H]2[C@@H](CNC(=O)c3ccc(CC#N)cc3)CCC[N@H+]2C)cn1	ZINC000362167619	554954246	/nfs/dbraw/zinc/95/42/46/554954246.db2.gz	WEPKHVNBACXNHX-IEBWSBKVSA-N	1	1	351.454	2.299	20	30		FEEDMO
CCc1nc([C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)no1	ZINC000363103145	555031102	/nfs/dbraw/zinc/03/11/02/555031102.db2.gz	CSSLOMSFSYBGNO-HOTGVXAUSA-N	1	1	356.426	2.123	20	30		FEEDMO
Cc1cc([C@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)[nH]n1	ZINC000363366865	555086918	/nfs/dbraw/zinc/08/69/18/555086918.db2.gz	LMCXJMAWGFRQOV-INIZCTEOSA-N	1	1	358.467	2.243	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C	ZINC000363418150	555100359	/nfs/dbraw/zinc/10/03/59/555100359.db2.gz	MVIXZKQAVXEZDU-UKBAYJJMSA-N	1	1	371.481	2.331	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)c1ccccc1	ZINC000363527849	555128896	/nfs/dbraw/zinc/12/88/96/555128896.db2.gz	XVMOUCPQWOROJU-LJQANCHMSA-N	1	1	368.481	2.410	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)c1ccccc1	ZINC000363527849	555128899	/nfs/dbraw/zinc/12/88/99/555128899.db2.gz	XVMOUCPQWOROJU-LJQANCHMSA-N	1	1	368.481	2.410	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1Cl	ZINC000363557791	555136407	/nfs/dbraw/zinc/13/64/07/555136407.db2.gz	LRYUKZGXAWJYEJ-LXZKKBNFSA-N	1	1	372.856	2.093	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1Cl	ZINC000363557790	555136520	/nfs/dbraw/zinc/13/65/20/555136520.db2.gz	LRYUKZGXAWJYEJ-JLJPHGGASA-N	1	1	372.856	2.093	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2nnc3n2CCC3)CC1	ZINC000364083965	555246945	/nfs/dbraw/zinc/24/69/45/555246945.db2.gz	VVDXYJNPFGTSJA-HNNXBMFYSA-N	1	1	370.501	2.135	20	30		FEEDMO
Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cccnc1C#N	ZINC000364349373	555296475	/nfs/dbraw/zinc/29/64/75/555296475.db2.gz	BKMUUOBRTKSZFH-MAUKXSAKSA-N	1	1	368.462	2.258	20	30		FEEDMO
COc1ccc(C[N@@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1OCCCC#N	ZINC000364890145	555427530	/nfs/dbraw/zinc/42/75/30/555427530.db2.gz	JYWXPCVARXPBJW-IBGZPJMESA-N	1	1	359.426	2.452	20	30		FEEDMO
COc1ccc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1OCCCC#N	ZINC000364890145	555427535	/nfs/dbraw/zinc/42/75/35/555427535.db2.gz	JYWXPCVARXPBJW-IBGZPJMESA-N	1	1	359.426	2.452	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ncccc2C)C1	ZINC000365792713	555669017	/nfs/dbraw/zinc/66/90/17/555669017.db2.gz	PDDRGGYYGHCMDM-WBVHZDCISA-N	1	1	371.485	2.049	20	30		FEEDMO
Cc1c(C#N)cccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000513608541	561944331	/nfs/dbraw/zinc/94/43/31/561944331.db2.gz	JKAOWUNEWSYQDW-FPOVZHCZSA-N	1	1	363.461	2.480	20	30		FEEDMO
Cn1cc(CN2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)cn1	ZINC000513756440	561948843	/nfs/dbraw/zinc/94/88/43/561948843.db2.gz	XYAAVSXXEJPTQA-UHFFFAOYSA-N	1	1	353.470	2.420	20	30		FEEDMO
C[C@H](C#N)CN(C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)C1CC1	ZINC000513868024	561952940	/nfs/dbraw/zinc/95/29/40/561952940.db2.gz	PCMPAUYXXVWYAO-KDOFPFPSSA-N	1	1	369.469	2.292	20	30		FEEDMO
C[C@H](C#N)CN(C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)C1CC1	ZINC000513868024	561952942	/nfs/dbraw/zinc/95/29/42/561952942.db2.gz	PCMPAUYXXVWYAO-KDOFPFPSSA-N	1	1	369.469	2.292	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000366547370	555873580	/nfs/dbraw/zinc/87/35/80/555873580.db2.gz	ZLDONUOLVIJQSL-OAGGEKHMSA-N	1	1	364.490	2.078	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000366745746	555923407	/nfs/dbraw/zinc/92/34/07/555923407.db2.gz	OMBVVZUTZMJWHZ-ZDUSSCGKSA-N	1	1	368.397	2.327	20	30		FEEDMO
N#CCC1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1	ZINC000366792877	555935063	/nfs/dbraw/zinc/93/50/63/555935063.db2.gz	UACGPECMUUNHEU-UHFFFAOYSA-N	1	1	351.454	2.469	20	30		FEEDMO
CCCCCCCS(=O)(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1	ZINC000367229587	556003716	/nfs/dbraw/zinc/00/37/16/556003716.db2.gz	FHYZZHSHXFXKEJ-GOSISDBHSA-N	1	1	359.580	2.246	20	30		FEEDMO
CCn1cnnc1[C@H]1C[N@@H+](C2CCN(c3ccc(C#N)cc3)CC2)CCO1	ZINC000367609551	556096426	/nfs/dbraw/zinc/09/64/26/556096426.db2.gz	XBGPFXLMDMVVRR-LJQANCHMSA-N	1	1	366.469	2.212	20	30		FEEDMO
CCn1cnnc1[C@H]1C[N@H+](C2CCN(c3ccc(C#N)cc3)CC2)CCO1	ZINC000367609551	556096428	/nfs/dbraw/zinc/09/64/28/556096428.db2.gz	XBGPFXLMDMVVRR-LJQANCHMSA-N	1	1	366.469	2.212	20	30		FEEDMO
CC(C)(C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc(F)cc(C#N)c1	ZINC000367691744	556115937	/nfs/dbraw/zinc/11/59/37/556115937.db2.gz	VSRQJJLTYBLDAG-MSOLQXFVSA-N	1	1	359.445	2.344	20	30		FEEDMO
CC(C)(C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc(F)cc(C#N)c1	ZINC000367691744	556115944	/nfs/dbraw/zinc/11/59/44/556115944.db2.gz	VSRQJJLTYBLDAG-MSOLQXFVSA-N	1	1	359.445	2.344	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1	ZINC000514875639	561984660	/nfs/dbraw/zinc/98/46/60/561984660.db2.gz	KONKEJPAYYOQIY-OWCLPIDISA-N	1	1	356.470	2.115	20	30		FEEDMO
CC1(C#N)CC[NH+](CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC1	ZINC000367890423	556166159	/nfs/dbraw/zinc/16/61/59/556166159.db2.gz	FGXRSSLCLYZTTR-UHFFFAOYSA-N	1	1	374.529	2.300	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@H]3CCCC[C@H]32)CC1	ZINC000368080585	556213415	/nfs/dbraw/zinc/21/34/15/556213415.db2.gz	FSQJZHVVNYYZCC-BRWVUGGUSA-N	1	1	358.511	2.331	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1	ZINC000368348975	556283964	/nfs/dbraw/zinc/28/39/64/556283964.db2.gz	PABCNFYJVVDJKY-HOTGVXAUSA-N	1	1	364.490	2.080	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000368480562	556322084	/nfs/dbraw/zinc/32/20/84/556322084.db2.gz	BZYLKPDYTWQJPM-RLLQIKCJSA-N	1	1	354.498	2.486	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000368480563	556322203	/nfs/dbraw/zinc/32/22/03/556322203.db2.gz	BZYLKPDYTWQJPM-SXLOBPIMSA-N	1	1	354.498	2.486	20	30		FEEDMO
C=CCn1c(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nnc1-c1cccnc1	ZINC000368482665	556322959	/nfs/dbraw/zinc/32/29/59/556322959.db2.gz	OESYFMZTMRLRFR-IYBDPMFKSA-N	1	1	357.483	2.481	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1nnc2n1CCCC2	ZINC000515578588	562015978	/nfs/dbraw/zinc/01/59/78/562015978.db2.gz	XHYDYAUFKOSDFY-DOTOQJQBSA-N	1	1	356.470	2.433	20	30		FEEDMO
C[C@@]1([C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3Cl)C2)NC(=O)NC1=O	ZINC000368893583	556440893	/nfs/dbraw/zinc/44/08/93/556440893.db2.gz	CNDHXOABSMOMHE-DIFFPNOSSA-N	1	1	364.808	2.161	20	30		FEEDMO
C[C@@]1([C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3Cl)C2)NC(=O)NC1=O	ZINC000368893583	556440895	/nfs/dbraw/zinc/44/08/95/556440895.db2.gz	CNDHXOABSMOMHE-DIFFPNOSSA-N	1	1	364.808	2.161	20	30		FEEDMO
CCc1nc(CN2C[C@H]3C[NH+](Cc4ccc(F)cc4C#N)C[C@@H]3C2)no1	ZINC000368961916	556459996	/nfs/dbraw/zinc/45/99/96/556459996.db2.gz	NUOKYSHZXQTPJE-HZPDHXFCSA-N	1	1	355.417	2.207	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1	ZINC000369179545	556527458	/nfs/dbraw/zinc/52/74/58/556527458.db2.gz	SXCREYVYZCJENQ-IUODEOHRSA-N	1	1	351.497	2.257	20	30		FEEDMO
CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1	ZINC000369311382	556571690	/nfs/dbraw/zinc/57/16/90/556571690.db2.gz	GQGULDAAWJNJFQ-AWEZNQCLSA-N	1	1	368.441	2.213	20	30		FEEDMO
C#CCNC(=O)c1ccc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)nc1	ZINC000369561385	556631560	/nfs/dbraw/zinc/63/15/60/556631560.db2.gz	PAUPTKKTTRXFGP-KBXCAEBGSA-N	1	1	354.479	2.611	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C	ZINC000369682576	556667390	/nfs/dbraw/zinc/66/73/90/556667390.db2.gz	FRQVKZJZXYZOSJ-RHQZKXFESA-N	1	1	350.503	2.363	20	30		FEEDMO
N#Cc1ccccc1S(=O)(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1	ZINC000369798938	556698732	/nfs/dbraw/zinc/69/87/32/556698732.db2.gz	IOXGOONSCYQSSV-KDURUIRLSA-N	1	1	367.474	2.311	20	30		FEEDMO
Cc1cc(CN2CCC([N@@H+](C)CC(=O)NC3(C#N)CCCCC3)CC2)on1	ZINC000369906046	556726206	/nfs/dbraw/zinc/72/62/06/556726206.db2.gz	KQJVXEAFRIDVCC-UHFFFAOYSA-N	1	1	373.501	2.222	20	30		FEEDMO
Cc1cc(C[NH+]2CCC(N(C)CC(=O)NC3(C#N)CCCCC3)CC2)on1	ZINC000369906046	556726209	/nfs/dbraw/zinc/72/62/09/556726209.db2.gz	KQJVXEAFRIDVCC-UHFFFAOYSA-N	1	1	373.501	2.222	20	30		FEEDMO
Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(n2cnc(C#N)n2)CC1	ZINC000370123360	556786897	/nfs/dbraw/zinc/78/68/97/556786897.db2.gz	RTHIZBFOIRELLO-UHFFFAOYSA-N	1	1	358.833	2.387	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000370304293	556835372	/nfs/dbraw/zinc/83/53/72/556835372.db2.gz	XOXAOTTXJAZFQN-RBUKOAKNSA-N	1	1	373.497	2.382	20	30		FEEDMO
Cc1c(Cl)cnc(N2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)c1C#N	ZINC000370360206	556849926	/nfs/dbraw/zinc/84/99/26/556849926.db2.gz	XQTOWOOLCKVVPA-UHFFFAOYSA-N	1	1	363.893	2.342	20	30		FEEDMO
Cc1c(Cl)cnc(N2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)c1C#N	ZINC000370360206	556849928	/nfs/dbraw/zinc/84/99/28/556849928.db2.gz	XQTOWOOLCKVVPA-UHFFFAOYSA-N	1	1	363.893	2.342	20	30		FEEDMO
CC(C)n1cc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)cn1	ZINC000370869081	556996093	/nfs/dbraw/zinc/99/60/93/556996093.db2.gz	IEJYTZDTDHHEHB-UHFFFAOYSA-N	1	1	369.429	2.351	20	30		FEEDMO
CC(C)n1cc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])cc3C#N)CC2)cn1	ZINC000370869081	556996094	/nfs/dbraw/zinc/99/60/94/556996094.db2.gz	IEJYTZDTDHHEHB-UHFFFAOYSA-N	1	1	369.429	2.351	20	30		FEEDMO
C=C[C@H](CC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1	ZINC000371174359	557096659	/nfs/dbraw/zinc/09/66/59/557096659.db2.gz	SRKZHUSGPNOIST-APWZRJJASA-N	1	1	355.482	2.287	20	30		FEEDMO
C=C[C@@H](CC(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)c1ccccc1	ZINC000371174360	557096709	/nfs/dbraw/zinc/09/67/09/557096709.db2.gz	SRKZHUSGPNOIST-LPHOPBHVSA-N	1	1	355.482	2.287	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@@H](C3CC3)C2)CC1	ZINC000371474076	557192590	/nfs/dbraw/zinc/19/25/90/557192590.db2.gz	VSZWSIJBMPRSQP-SJORKVTESA-N	1	1	358.511	2.189	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1	ZINC000371490606	557198461	/nfs/dbraw/zinc/19/84/61/557198461.db2.gz	GYNWZLHEAUTLGM-UHFFFAOYSA-N	1	1	368.481	2.098	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1	ZINC000371515556	557207448	/nfs/dbraw/zinc/20/74/48/557207448.db2.gz	ANIWYNMMKMZOFY-UKRRQHHQSA-N	1	1	356.401	2.193	20	30		FEEDMO
Cc1noc(C2(C)CC[NH+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)CC2)n1	ZINC000371572318	557226313	/nfs/dbraw/zinc/22/63/13/557226313.db2.gz	RCZIUMUCXLTRIK-AWEZNQCLSA-N	1	1	359.474	2.463	20	30		FEEDMO
C=CCOCCNC(=O)N(C)[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000371631254	557245303	/nfs/dbraw/zinc/24/53/03/557245303.db2.gz	BOXXAYDRABLRFV-IEBWSBKVSA-N	1	1	361.486	2.120	20	30		FEEDMO
C=CCOCCNC(=O)N(C)[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000371631254	557245306	/nfs/dbraw/zinc/24/53/06/557245306.db2.gz	BOXXAYDRABLRFV-IEBWSBKVSA-N	1	1	361.486	2.120	20	30		FEEDMO
C=CCn1c(CC2CCCC2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1	ZINC000518442895	562111506	/nfs/dbraw/zinc/11/15/06/562111506.db2.gz	BSCDIOSSDBISKV-IBGZPJMESA-N	1	1	372.561	2.413	20	30		FEEDMO
CC[C@H](NC(=O)N(C)C[C@@H](C)C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000372004753	557353826	/nfs/dbraw/zinc/35/38/26/557353826.db2.gz	UMFSDIYQLZQDFJ-WDSOQIARSA-N	1	1	358.486	2.467	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1	ZINC000372341370	557444740	/nfs/dbraw/zinc/44/47/40/557444740.db2.gz	BITKPIWRBIMZTF-HKUYNNGSSA-N	1	1	356.470	2.373	20	30		FEEDMO
Cc1cc(NC(=O)NCCCn2cc[nH+]c2C)nn1-c1cccc(C#N)c1	ZINC000372371192	557453268	/nfs/dbraw/zinc/45/32/68/557453268.db2.gz	WACMNGGVHSVJKX-UHFFFAOYSA-N	1	1	363.425	2.769	20	30		FEEDMO
CC(C)NC(=O)CN1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1	ZINC000372391276	557458328	/nfs/dbraw/zinc/45/83/28/557458328.db2.gz	HKPUZPTVIQEQBS-KRWDZBQOSA-N	1	1	358.486	2.010	20	30		FEEDMO
CC(C)NC(=O)C[N@@H+]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1	ZINC000372391276	557458333	/nfs/dbraw/zinc/45/83/33/557458333.db2.gz	HKPUZPTVIQEQBS-KRWDZBQOSA-N	1	1	358.486	2.010	20	30		FEEDMO
CC(C)NC(=O)C[N@H+]1CCCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1	ZINC000372391276	557458337	/nfs/dbraw/zinc/45/83/37/557458337.db2.gz	HKPUZPTVIQEQBS-KRWDZBQOSA-N	1	1	358.486	2.010	20	30		FEEDMO
CC(C)(O)C[N@H+]1CCCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000372549358	557500520	/nfs/dbraw/zinc/50/05/20/557500520.db2.gz	YZJYITUOCIAVBS-UHFFFAOYSA-N	1	1	359.470	2.021	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C1CCN(Cc2ccncc2)CC1	ZINC000372582533	557511931	/nfs/dbraw/zinc/51/19/31/557511931.db2.gz	HKMLPJHXMQJCSQ-HXUWFJFHSA-N	1	1	357.502	2.032	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C1CCN(Cc2ccncc2)CC1	ZINC000372582533	557511933	/nfs/dbraw/zinc/51/19/33/557511933.db2.gz	HKMLPJHXMQJCSQ-HXUWFJFHSA-N	1	1	357.502	2.032	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000372761818	557556917	/nfs/dbraw/zinc/55/69/17/557556917.db2.gz	OTEDYZZPOLBNFN-QFBILLFUSA-N	1	1	351.454	2.413	20	30		FEEDMO
COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1	ZINC000373175799	557644384	/nfs/dbraw/zinc/64/43/84/557644384.db2.gz	AAAFFDLYCHVZQD-SJLPKXTDSA-N	1	1	371.437	2.059	20	30		FEEDMO
COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1	ZINC000373175799	557644387	/nfs/dbraw/zinc/64/43/87/557644387.db2.gz	AAAFFDLYCHVZQD-SJLPKXTDSA-N	1	1	371.437	2.059	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)cc2C1=O	ZINC000520150848	562149727	/nfs/dbraw/zinc/14/97/27/562149727.db2.gz	QOHGKTAXGMCWCY-OAHLLOKOSA-N	1	1	369.465	2.319	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(c2cnccn2)CC1	ZINC000373828379	557768110	/nfs/dbraw/zinc/76/81/10/557768110.db2.gz	HFXLDEHQJPKZCY-UHFFFAOYSA-N	1	1	364.453	2.278	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1	ZINC000373982939	557800842	/nfs/dbraw/zinc/80/08/42/557800842.db2.gz	ONJPFUAYIKLTQQ-IBGZPJMESA-N	1	1	354.454	2.196	20	30		FEEDMO
N#Cc1cccc(CCNC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)c1	ZINC000374100114	557823202	/nfs/dbraw/zinc/82/32/02/557823202.db2.gz	CRCSDGVRNQTLHL-OAQYLSRUSA-N	1	1	363.461	2.415	20	30		FEEDMO
CCOC(=O)[C@@]1(COC)CCC[N@@H+](CCCC2(C#N)CCOCC2)C1	ZINC000374171092	557836662	/nfs/dbraw/zinc/83/66/62/557836662.db2.gz	IFDUOKPDNFZOPY-IBGZPJMESA-N	1	1	352.475	2.379	20	30		FEEDMO
CC(C)c1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C1	ZINC000374548106	557898015	/nfs/dbraw/zinc/89/80/15/557898015.db2.gz	FXIBBCJVYOVVDA-GJZGRUSLSA-N	1	1	353.492	2.122	20	30		FEEDMO
COc1cc(OC)cc([C@]2(F)CC[N@H+](CCC(=O)N(C)CCC#N)C2)c1	ZINC000374636065	557910237	/nfs/dbraw/zinc/91/02/37/557910237.db2.gz	KSLAEXQZYDIWEU-IBGZPJMESA-N	1	1	363.433	2.336	20	30		FEEDMO
COc1cc(OC)cc([C@]2(F)CC[N@@H+](CCC(=O)N(C)CCC#N)C2)c1	ZINC000374636065	557910239	/nfs/dbraw/zinc/91/02/39/557910239.db2.gz	KSLAEXQZYDIWEU-IBGZPJMESA-N	1	1	363.433	2.336	20	30		FEEDMO
CO[C@@H]1CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000374645945	557911571	/nfs/dbraw/zinc/91/15/71/557911571.db2.gz	JXFFULAAJDSYFM-QGZVFWFLSA-N	1	1	353.426	2.183	20	30		FEEDMO
CO[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1	ZINC000374645945	557911574	/nfs/dbraw/zinc/91/15/74/557911574.db2.gz	JXFFULAAJDSYFM-QGZVFWFLSA-N	1	1	353.426	2.183	20	30		FEEDMO
Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCc1cccc(C#N)c1	ZINC000374778692	557930053	/nfs/dbraw/zinc/93/00/53/557930053.db2.gz	NRVXDOCMMFFFSD-YQQQUEKLSA-N	1	1	363.465	2.319	20	30		FEEDMO
CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(Nc2ccc(C#N)cn2)CC1	ZINC000375019331	557965199	/nfs/dbraw/zinc/96/51/99/557965199.db2.gz	VNQSDWFUSVFBNR-SFHVURJKSA-N	1	1	355.486	2.619	20	30		FEEDMO
N#CC1(NC(=O)c2cncc(Cl)n2)CC[NH+](Cc2ccccc2)CC1	ZINC000375126794	557981252	/nfs/dbraw/zinc/98/12/52/557981252.db2.gz	HMCXIXMYTVKVQU-UHFFFAOYSA-N	1	1	355.829	2.418	20	30		FEEDMO
CCN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000375705735	558070329	/nfs/dbraw/zinc/07/03/29/558070329.db2.gz	HNIOYINOPOOPCH-FUHWJXTLSA-N	1	1	364.515	2.062	20	30		FEEDMO
CC(C)c1[nH+]ccn1[C@@H]1CCCN(c2cc(S(N)(=O)=O)ccc2C#N)C1	ZINC000376189962	558138827	/nfs/dbraw/zinc/13/88/27/558138827.db2.gz	WNXSAGDEKKEALX-OAHLLOKOSA-N	1	1	373.482	2.367	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccsc3)CC2)o1	ZINC000376265059	558149667	/nfs/dbraw/zinc/14/96/67/558149667.db2.gz	JSSHVQYQBHRDIG-UHFFFAOYSA-N	1	1	351.453	2.156	20	30		FEEDMO
Cn1cc([C@H]2[C@H](CNC(=O)NCC(C)(C)CCC#N)CCC[N@H+]2C)cn1	ZINC000376672399	558206274	/nfs/dbraw/zinc/20/62/74/558206274.db2.gz	MOGHNDKKDZVHBS-DOTOQJQBSA-N	1	1	360.506	2.432	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1	ZINC000376685948	558208353	/nfs/dbraw/zinc/20/83/53/558208353.db2.gz	CBKYRSQOLCAFEJ-ZDUSSCGKSA-N	1	1	373.482	2.099	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC000376685948	558208355	/nfs/dbraw/zinc/20/83/55/558208355.db2.gz	CBKYRSQOLCAFEJ-ZDUSSCGKSA-N	1	1	373.482	2.099	20	30		FEEDMO
Cc1cc(=NC(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)[nH]n1CCC#N	ZINC000376878270	558232939	/nfs/dbraw/zinc/23/29/39/558232939.db2.gz	SWIQGIKVHDLMDD-UHFFFAOYSA-N	1	1	367.457	2.917	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1	ZINC000376923465	558240165	/nfs/dbraw/zinc/24/01/65/558240165.db2.gz	BAHDVLZDPICMDX-CQSZACIVSA-N	1	1	353.430	2.135	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NS(=O)(=O)c2cccnc2C#N)cc1	ZINC000377186322	558284226	/nfs/dbraw/zinc/28/42/26/558284226.db2.gz	WYFDNKHSQUNBCB-ZDUSSCGKSA-N	1	1	367.434	2.487	20	30		FEEDMO
C=CCN(C(=O)NCC[C@@H]1CCC(=O)N1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000377265184	558301621	/nfs/dbraw/zinc/30/16/21/558301621.db2.gz	LVCOKKRBOJPTTM-OALUTQOASA-N	1	1	370.497	2.127	20	30		FEEDMO
CCCN(CC#N)C(=O)c1nnn(-c2cccc3c2CC[N@@H+](CC)C3)c1C	ZINC000377618233	558378352	/nfs/dbraw/zinc/37/83/52/558378352.db2.gz	YHKJNVZLGLBXOA-UHFFFAOYSA-N	1	1	366.469	2.330	20	30		FEEDMO
CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1cccnc1C#N	ZINC000398113047	558626239	/nfs/dbraw/zinc/62/62/39/558626239.db2.gz	ZDLJSZFOWSQJOL-GOSISDBHSA-N	1	1	372.494	2.388	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000408135708	558650359	/nfs/dbraw/zinc/65/03/59/558650359.db2.gz	ZIMADOALLVCEAH-DLBZAZTESA-N	1	1	360.502	2.052	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000409491764	558697301	/nfs/dbraw/zinc/69/73/01/558697301.db2.gz	RIGNKTLSDNVGCX-IAGOWNOFSA-N	1	1	364.515	2.062	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C	ZINC000409491764	558697302	/nfs/dbraw/zinc/69/73/02/558697302.db2.gz	RIGNKTLSDNVGCX-IAGOWNOFSA-N	1	1	364.515	2.062	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1	ZINC000409496129	558697666	/nfs/dbraw/zinc/69/76/66/558697666.db2.gz	SOTKVIIDLBQQSA-CQSZACIVSA-N	1	1	361.471	2.312	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)c2ncc(C#N)cc2Cl)[C@H](C)C1	ZINC000410485459	558766673	/nfs/dbraw/zinc/76/66/73/558766673.db2.gz	TVSFLAXWDRIYDH-CJNGLKHVSA-N	1	1	364.877	2.473	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@H+](CC)[C@@H](C)C3)cc2C1=O	ZINC000525397241	562247483	/nfs/dbraw/zinc/24/74/83/562247483.db2.gz	MNYFZILFORCYOI-HOCLYGCPSA-N	1	1	369.465	2.413	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)[C@H](C)C(=O)NC(=O)Nc1ccccc1F	ZINC000411645015	558935189	/nfs/dbraw/zinc/93/51/89/558935189.db2.gz	SAHIKWXEKWIULH-CQSZACIVSA-N	1	1	350.438	2.302	20	30		FEEDMO
C=CCN(C)CC[N@H+](CC)[C@H](C)C(=O)NC(=O)Nc1ccccc1F	ZINC000411645015	558935202	/nfs/dbraw/zinc/93/52/02/558935202.db2.gz	SAHIKWXEKWIULH-CQSZACIVSA-N	1	1	350.438	2.302	20	30		FEEDMO
Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+]C2(C(=O)N(C)C)CC2)c1C#N	ZINC000411913082	558986917	/nfs/dbraw/zinc/98/69/17/558986917.db2.gz	NLVXUJPWHGHNDS-UHFFFAOYSA-N	1	1	371.485	2.241	20	30		FEEDMO
C[C@H]1CN(CC(=O)NCc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000411982940	558999098	/nfs/dbraw/zinc/99/90/98/558999098.db2.gz	KYEVVRSHMZQCIT-SFHVURJKSA-N	1	1	362.477	2.381	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)CCS(=O)(=O)Cc2cccc(C)c2)CC1	ZINC000412044866	559005791	/nfs/dbraw/zinc/00/57/91/559005791.db2.gz	ROVBDGMIBSYUQX-UHFFFAOYSA-N	1	1	364.511	2.067	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1	ZINC000526059192	562265530	/nfs/dbraw/zinc/26/55/30/562265530.db2.gz	OUCVACZKOONQQJ-MRXNPFEDSA-N	1	1	358.461	2.284	20	30		FEEDMO
COc1ccc(C[N@@H+](CC(=O)NC2(C#N)CCC2)[C@H](CO)C(C)C)cc1	ZINC000526136153	562267975	/nfs/dbraw/zinc/26/79/75/562267975.db2.gz	RTMFKMHQEQLKAH-GOSISDBHSA-N	1	1	359.470	2.077	20	30		FEEDMO
C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cn(CCCC#N)c2ccccc12	ZINC000416299204	559303739	/nfs/dbraw/zinc/30/37/39/559303739.db2.gz	CNWHXRBAJGYOJA-IRXDYDNUSA-N	1	1	368.481	2.472	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C	ZINC000416772939	559332207	/nfs/dbraw/zinc/33/22/07/559332207.db2.gz	SKVHVUFZWOKVER-GJZGRUSLSA-N	1	1	360.458	2.264	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C	ZINC000416772939	559332208	/nfs/dbraw/zinc/33/22/08/559332208.db2.gz	SKVHVUFZWOKVER-GJZGRUSLSA-N	1	1	360.458	2.264	20	30		FEEDMO
C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000416872740	559336023	/nfs/dbraw/zinc/33/60/23/559336023.db2.gz	CAXYSOJGKONMEX-VXGBXAGGSA-N	1	1	370.375	2.496	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000416872740	559336024	/nfs/dbraw/zinc/33/60/24/559336024.db2.gz	CAXYSOJGKONMEX-VXGBXAGGSA-N	1	1	370.375	2.496	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C	ZINC000420924588	559511557	/nfs/dbraw/zinc/51/15/57/559511557.db2.gz	KELDEJNKNOJKFB-VCBZYWHSSA-N	1	1	351.491	2.483	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C	ZINC000420924588	559511558	/nfs/dbraw/zinc/51/15/58/559511558.db2.gz	KELDEJNKNOJKFB-VCBZYWHSSA-N	1	1	351.491	2.483	20	30		FEEDMO
C[C@@H]1CC[C@@H](O)C[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000421004077	559518789	/nfs/dbraw/zinc/51/87/89/559518789.db2.gz	FKNFWUWAVXBKET-CZUORRHYSA-N	1	1	354.372	2.018	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1	ZINC000421002071	559518859	/nfs/dbraw/zinc/51/88/59/559518859.db2.gz	DJIWLWBAPUAQHJ-BZUAXINKSA-N	1	1	351.491	2.294	20	30		FEEDMO
C=CCSCCNC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1	ZINC000422155628	559568406	/nfs/dbraw/zinc/56/84/06/559568406.db2.gz	JGAGTJMUPLVYAY-UHFFFAOYSA-N	1	1	354.564	2.107	20	30		FEEDMO
C=CCSCCNC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1	ZINC000422155628	559568407	/nfs/dbraw/zinc/56/84/07/559568407.db2.gz	JGAGTJMUPLVYAY-UHFFFAOYSA-N	1	1	354.564	2.107	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000422301035	559576948	/nfs/dbraw/zinc/57/69/48/559576948.db2.gz	WBAYHCKEJDQNPH-MOPGFXCFSA-N	1	1	369.509	2.423	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1	ZINC000422422009	559587196	/nfs/dbraw/zinc/58/71/96/559587196.db2.gz	FCUTYASMZGRBMR-APWZRJJASA-N	1	1	355.482	2.057	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1	ZINC000422540332	559593751	/nfs/dbraw/zinc/59/37/51/559593751.db2.gz	JYXDMEGAGDFGRJ-OALUTQOASA-N	1	1	357.498	2.231	20	30		FEEDMO
COc1ccccc1[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)N1CCCCC1	ZINC000424134848	559655724	/nfs/dbraw/zinc/65/57/24/559655724.db2.gz	ODBSYIXWSDSXGG-ZWKOTPCHSA-N	1	1	358.486	2.360	20	30		FEEDMO
C=CCCn1cc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000424701029	559674045	/nfs/dbraw/zinc/67/40/45/559674045.db2.gz	SNNNBECMMQERCS-SFHVURJKSA-N	1	1	353.470	2.448	20	30		FEEDMO
C=CCCn1cc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)nn1	ZINC000424781001	559676539	/nfs/dbraw/zinc/67/65/39/559676539.db2.gz	WLOHJEXVFOYSDC-IBGZPJMESA-N	1	1	353.470	2.495	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H]1CC[C@H](C#N)C1	ZINC000425454682	559703095	/nfs/dbraw/zinc/70/30/95/559703095.db2.gz	DXKFASXISSEUPU-FGTMMUONSA-N	1	1	355.486	2.189	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000425883594	559723946	/nfs/dbraw/zinc/72/39/46/559723946.db2.gz	MRCMABLJPUQGRW-IKGGRYGDSA-N	1	1	370.497	2.314	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000527335316	562285814	/nfs/dbraw/zinc/28/58/14/562285814.db2.gz	XWZNJIDWBRJTLA-AQFXKWCLSA-N	1	1	357.458	2.037	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@]2(CC[N@@H+](C)C2)C1	ZINC000429012119	559788308	/nfs/dbraw/zinc/78/83/08/559788308.db2.gz	UJLXIECYHBVVIB-DJJJIMSYSA-N	1	1	358.511	2.463	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1	ZINC000429020513	559788818	/nfs/dbraw/zinc/78/88/18/559788818.db2.gz	LTQBLTVWHRNOFW-HNNXBMFYSA-N	1	1	371.250	2.412	20	30		FEEDMO
N#Cc1ccnc(NCCC[NH+]2CCN(c3ncccn3)CC2)c1Cl	ZINC000429218752	559793115	/nfs/dbraw/zinc/79/31/15/559793115.db2.gz	WFUCSHGEKOZMQC-UHFFFAOYSA-N	1	1	357.849	2.021	20	30		FEEDMO
CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1CC(=O)NCC#N	ZINC000429367785	559797001	/nfs/dbraw/zinc/79/70/01/559797001.db2.gz	USPQSKXTDJBHEE-FQEVSTJZSA-N	1	1	356.514	2.291	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1Cl	ZINC000430091975	559812960	/nfs/dbraw/zinc/81/29/60/559812960.db2.gz	VVLMUALQRRNPHI-CQSZACIVSA-N	1	1	358.891	2.371	20	30		FEEDMO
C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1Cl	ZINC000430091975	559812961	/nfs/dbraw/zinc/81/29/61/559812961.db2.gz	VVLMUALQRRNPHI-CQSZACIVSA-N	1	1	358.891	2.371	20	30		FEEDMO
COC(=O)COc1ccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000430177493	559814907	/nfs/dbraw/zinc/81/49/07/559814907.db2.gz	MMDKFSSARZGBCT-GOSISDBHSA-N	1	1	367.405	2.158	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)c1cc(C#N)cc(N(C)C)c1)[NH+]1CCOCC1	ZINC000432055561	559851208	/nfs/dbraw/zinc/85/12/08/559851208.db2.gz	RWLLKZGOSWWGKT-IBGZPJMESA-N	1	1	358.486	2.101	20	30		FEEDMO
C[N@@H+](CC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCSC1	ZINC000527364141	562286667	/nfs/dbraw/zinc/28/66/67/562286667.db2.gz	YDNMGJGHWFZGQR-AQFXKWCLSA-N	1	1	374.510	2.197	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)[C@@H](C#N)CCc2ccccc2)CC1	ZINC000433354339	559878134	/nfs/dbraw/zinc/87/81/34/559878134.db2.gz	NYPVETXORIFLTB-HXUWFJFHSA-N	1	1	356.514	2.293	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000435651770	559927264	/nfs/dbraw/zinc/92/72/64/559927264.db2.gz	XQTYSGKTNNXGFA-INIZCTEOSA-N	1	1	360.433	2.407	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1	ZINC000435957725	559933102	/nfs/dbraw/zinc/93/31/02/559933102.db2.gz	YHXXWRSEPUARFF-LJQANCHMSA-N	1	1	362.433	2.450	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000440043664	560003717	/nfs/dbraw/zinc/00/37/17/560003717.db2.gz	NKDUNXAQDRHNJV-QLFBSQMISA-N	1	1	367.490	2.483	20	30		FEEDMO
C=C(C)COCCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1	ZINC000440061800	560004078	/nfs/dbraw/zinc/00/40/78/560004078.db2.gz	MTAXXIMMYGEEOA-UHFFFAOYSA-N	1	1	353.850	2.049	20	30		FEEDMO
COc1cc(C[NH2+]Cc2ccnc(N3CCN(C)CC3)c2)ccc1C#N	ZINC000440827373	560019145	/nfs/dbraw/zinc/01/91/45/560019145.db2.gz	QQMARQFGBQFWIM-UHFFFAOYSA-N	1	1	351.454	2.003	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C	ZINC000442151251	560045094	/nfs/dbraw/zinc/04/50/94/560045094.db2.gz	INXLALGEWUCRGS-ZWNOBZJWSA-N	1	1	368.359	2.114	20	30		FEEDMO
C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1	ZINC000442928112	560062588	/nfs/dbraw/zinc/06/25/88/560062588.db2.gz	CQYMOFXBANKWTC-NSHDSACASA-N	1	1	357.332	2.364	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1	ZINC000443368517	560082145	/nfs/dbraw/zinc/08/21/45/560082145.db2.gz	JMSWYZXUEGSDBK-GDBMZVCRSA-N	1	1	372.469	2.227	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C[C@@H]1C	ZINC000447229138	560158211	/nfs/dbraw/zinc/15/82/11/560158211.db2.gz	GXCZJEFUQPFEET-GXTWGEPZSA-N	1	1	362.861	2.481	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000447940948	560174040	/nfs/dbraw/zinc/17/40/40/560174040.db2.gz	JLANOLLLIZIZFR-MRXNPFEDSA-N	1	1	353.463	2.237	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000450128918	560251504	/nfs/dbraw/zinc/25/15/04/560251504.db2.gz	IMFKOCFITRFVNU-ZRNYENFQSA-N	1	1	358.482	2.373	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000450128918	560251505	/nfs/dbraw/zinc/25/15/05/560251505.db2.gz	IMFKOCFITRFVNU-ZRNYENFQSA-N	1	1	358.482	2.373	20	30		FEEDMO
C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)COc1ccc(C#N)c(Br)c1	ZINC000450245532	560255683	/nfs/dbraw/zinc/25/56/83/560255683.db2.gz	YJLCRBZXAQCODL-TXEJJXNPSA-N	1	1	366.259	2.251	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)COc1cccc(Br)c1C#N	ZINC000450347680	560259335	/nfs/dbraw/zinc/25/93/35/560259335.db2.gz	IRWQDADSQPYOHB-NWDGAFQWSA-N	1	1	366.259	2.251	20	30		FEEDMO
Cc1ccc(N2CCC(NS(=O)(=O)CC(C)(C)CC#N)CC2)[nH+]c1	ZINC000451242468	560295283	/nfs/dbraw/zinc/29/52/83/560295283.db2.gz	MKEWEYKWIOXARK-UHFFFAOYSA-N	1	1	350.488	2.218	20	30		FEEDMO
CO[C@@H]1CC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1C	ZINC000451561617	560314917	/nfs/dbraw/zinc/31/49/17/560314917.db2.gz	JAIRKPSLZXQYNB-WMLDXEAASA-N	1	1	353.426	2.039	20	30		FEEDMO
CO[C@@H]1CC[N@@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C[C@@H]1C	ZINC000451561617	560314918	/nfs/dbraw/zinc/31/49/18/560314918.db2.gz	JAIRKPSLZXQYNB-WMLDXEAASA-N	1	1	353.426	2.039	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1	ZINC000451706005	560323387	/nfs/dbraw/zinc/32/33/87/560323387.db2.gz	JFOKBTBWXOAHKZ-NQIIRXRSSA-N	1	1	356.514	2.495	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1	ZINC000451904108	560336127	/nfs/dbraw/zinc/33/61/27/560336127.db2.gz	JNULCSXGTASVIP-UXLLHSPISA-N	1	1	359.388	2.400	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1CCN(CCC(F)(F)F)CC1	ZINC000452125290	560353003	/nfs/dbraw/zinc/35/30/03/560353003.db2.gz	YPHLGCZZAXZJFI-AWEZNQCLSA-N	1	1	362.440	2.343	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1	ZINC000452125290	560353004	/nfs/dbraw/zinc/35/30/04/560353004.db2.gz	YPHLGCZZAXZJFI-AWEZNQCLSA-N	1	1	362.440	2.343	20	30		FEEDMO
C=CCn1c([C@H]2CCCCO2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1	ZINC000453431625	560386511	/nfs/dbraw/zinc/38/65/11/560386511.db2.gz	AHYOBMPJXZMEBV-MRXNPFEDSA-N	1	1	363.506	2.253	20	30		FEEDMO
C=CCn1c([C@H]2CCCCO2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1	ZINC000453431625	560386512	/nfs/dbraw/zinc/38/65/12/560386512.db2.gz	AHYOBMPJXZMEBV-MRXNPFEDSA-N	1	1	363.506	2.253	20	30		FEEDMO
C=CCn1c(N2CC[N@H+](CCOCC)[C@@H](C)C2)nnc1[C@@]1(C)CCCO1	ZINC000453448036	560386758	/nfs/dbraw/zinc/38/67/58/560386758.db2.gz	XTCVSKHABULROR-QFBILLFUSA-N	1	1	363.506	2.037	20	30		FEEDMO
C=C(C)Cn1c(-c2nnn(C)c2C)nnc1N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000453454611	560387072	/nfs/dbraw/zinc/38/70/72/560387072.db2.gz	CHJSKOWCXCLXRV-MRXNPFEDSA-N	1	1	372.521	2.126	20	30		FEEDMO
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+](CCOCC)[C@@H](C)C1	ZINC000453459612	560387289	/nfs/dbraw/zinc/38/72/89/560387289.db2.gz	CRLXNDVWAUOPAB-DLBZAZTESA-N	1	1	363.506	2.253	20	30		FEEDMO
CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl)C(C)C	ZINC000453637930	560392443	/nfs/dbraw/zinc/39/24/43/560392443.db2.gz	BWIZWQHQPDVCJR-UHFFFAOYSA-N	1	1	350.850	2.191	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453740024	560400763	/nfs/dbraw/zinc/40/07/63/560400763.db2.gz	IMPIHDSMAXHQQK-AWEZNQCLSA-N	1	1	362.861	2.335	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000453920821	560413284	/nfs/dbraw/zinc/41/32/84/560413284.db2.gz	RNTQFRZDTXEPGT-IJEWVQPXSA-N	1	1	372.494	2.182	20	30		FEEDMO
C=C(CC)CNC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000454022270	560422689	/nfs/dbraw/zinc/42/26/89/560422689.db2.gz	DNRCQMVOCWXHIT-IYBDPMFKSA-N	1	1	359.470	2.317	20	30		FEEDMO
C=C(CC)CNC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000454022270	560422690	/nfs/dbraw/zinc/42/26/90/560422690.db2.gz	DNRCQMVOCWXHIT-IYBDPMFKSA-N	1	1	359.470	2.317	20	30		FEEDMO
CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000454102152	560429451	/nfs/dbraw/zinc/42/94/51/560429451.db2.gz	OWQPCISOOBEEMO-QGZVFWFLSA-N	1	1	372.469	2.249	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455773968	560494473	/nfs/dbraw/zinc/49/44/73/560494473.db2.gz	CDPVYXDDVAWVBB-UHFFFAOYSA-N	1	1	364.881	2.096	20	30		FEEDMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1cnc(C#N)c(Cl)c1	ZINC000455773968	560494474	/nfs/dbraw/zinc/49/44/74/560494474.db2.gz	CDPVYXDDVAWVBB-UHFFFAOYSA-N	1	1	364.881	2.096	20	30		FEEDMO
N#CCc1cccc(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1	ZINC000455906801	560499876	/nfs/dbraw/zinc/49/98/76/560499876.db2.gz	OCWQSGHCGLHIEX-HXUWFJFHSA-N	1	1	364.449	2.293	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@H]1C	ZINC000456001884	560504061	/nfs/dbraw/zinc/50/40/61/560504061.db2.gz	VKTSFTPAXHESLM-MRXNPFEDSA-N	1	1	371.481	2.223	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C[C@H]1C	ZINC000456001884	560504062	/nfs/dbraw/zinc/50/40/62/560504062.db2.gz	VKTSFTPAXHESLM-MRXNPFEDSA-N	1	1	371.481	2.223	20	30		FEEDMO
C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)CC#N	ZINC000456378489	560518265	/nfs/dbraw/zinc/51/82/65/560518265.db2.gz	VECIZCADLVAFDG-NSHDSACASA-N	1	1	351.248	2.442	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC(C)(C)CC#N	ZINC000458444918	560623775	/nfs/dbraw/zinc/62/37/75/560623775.db2.gz	PONLYKQLKOWMTQ-KRWDZBQOSA-N	1	1	357.502	2.436	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000458708122	560642320	/nfs/dbraw/zinc/64/23/20/560642320.db2.gz	GMKDSZNEVCGKGH-ZWKOTPCHSA-N	1	1	363.527	2.230	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000458708122	560642322	/nfs/dbraw/zinc/64/23/22/560642322.db2.gz	GMKDSZNEVCGKGH-ZWKOTPCHSA-N	1	1	363.527	2.230	20	30		FEEDMO
C[N@@H+](CCCCNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1CC1	ZINC000459174375	560672373	/nfs/dbraw/zinc/67/23/73/560672373.db2.gz	ZXKWYNUOGOAPGB-FQEVSTJZSA-N	1	1	369.513	2.280	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1	ZINC000459348837	560681568	/nfs/dbraw/zinc/68/15/68/560681568.db2.gz	NBFVCTOAJBKFKR-QGZVFWFLSA-N	1	1	357.458	2.068	20	30		FEEDMO
CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000460133686	560736007	/nfs/dbraw/zinc/73/60/07/560736007.db2.gz	YUTYTYJBWRFOLK-OALUTQOASA-N	1	1	356.470	2.343	20	30		FEEDMO
C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1	ZINC000460651650	560748262	/nfs/dbraw/zinc/74/82/62/560748262.db2.gz	YZWBYJPVIJQFFF-XYPHTWIQSA-N	1	1	353.413	2.335	20	30		FEEDMO
C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1	ZINC000460651650	560748263	/nfs/dbraw/zinc/74/82/63/560748263.db2.gz	YZWBYJPVIJQFFF-XYPHTWIQSA-N	1	1	353.413	2.335	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C	ZINC000460953769	560757050	/nfs/dbraw/zinc/75/70/50/560757050.db2.gz	ULLGHPMSLSEOGC-HOTGVXAUSA-N	1	1	362.522	2.159	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)C[NH2+][C@]1(CC(=O)OC)CCOC1	ZINC000464598328	560846304	/nfs/dbraw/zinc/84/63/04/560846304.db2.gz	UBGBNTHJAWRQEN-SFHVURJKSA-N	1	1	364.467	2.215	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C	ZINC000467022456	560901723	/nfs/dbraw/zinc/90/17/23/560901723.db2.gz	IOSAOSGOWRJFBK-RHSMWYFYSA-N	1	1	357.454	2.325	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1	ZINC000470361067	560979384	/nfs/dbraw/zinc/97/93/84/560979384.db2.gz	IQVZMVTZKGMGTR-PKOBYXMFSA-N	1	1	370.497	2.279	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1	ZINC000470361067	560979385	/nfs/dbraw/zinc/97/93/85/560979385.db2.gz	IQVZMVTZKGMGTR-PKOBYXMFSA-N	1	1	370.497	2.279	20	30		FEEDMO
C[C@@H](CN1CCOCC1)[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471013659	560996392	/nfs/dbraw/zinc/99/63/92/560996392.db2.gz	GEUDFVCUQGFCHD-LPHOPBHVSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@@H](C[NH+]1CCOCC1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1	ZINC000471013659	560996393	/nfs/dbraw/zinc/99/63/93/560996393.db2.gz	GEUDFVCUQGFCHD-LPHOPBHVSA-N	1	1	362.905	2.243	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[NH+]1CCOCC1	ZINC000471620480	561008915	/nfs/dbraw/zinc/00/89/15/561008915.db2.gz	JSDKPEOXJPLRPR-UXHICEINSA-N	1	1	368.481	2.104	20	30		FEEDMO
CCC[C@H]1CN(C(=O)c2cnn(C)c2C#N)CC[N@@H+]1Cc1ccccc1	ZINC000476587099	561123381	/nfs/dbraw/zinc/12/33/81/561123381.db2.gz	HERIWUTYBFJOAZ-KRWDZBQOSA-N	1	1	351.454	2.418	20	30		FEEDMO
CCC[C@H]1CN(C(=O)c2cnn(C)c2C#N)CC[N@H+]1Cc1ccccc1	ZINC000476587099	561123382	/nfs/dbraw/zinc/12/33/82/561123382.db2.gz	HERIWUTYBFJOAZ-KRWDZBQOSA-N	1	1	351.454	2.418	20	30		FEEDMO
COc1cccc([C@H]2[C@@H](NC(=O)c3cnn(C)c3C#N)CC[N@H+]2C2CC2)c1	ZINC000476603764	561124093	/nfs/dbraw/zinc/12/40/93/561124093.db2.gz	WIZBGUFFHFPNLR-HKUYNNGSSA-N	1	1	365.437	2.008	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1C	ZINC000476606157	561124103	/nfs/dbraw/zinc/12/41/03/561124103.db2.gz	QNIZBPCOCHCSGZ-HNNXBMFYSA-N	1	1	357.454	2.197	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C[C@@H]1C	ZINC000476606157	561124104	/nfs/dbraw/zinc/12/41/04/561124104.db2.gz	QNIZBPCOCHCSGZ-HNNXBMFYSA-N	1	1	357.454	2.197	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCN(Cc2ccsc2)CC1	ZINC000528341616	562323635	/nfs/dbraw/zinc/32/36/35/562323635.db2.gz	WHXSSUYSZAZCLF-GOSISDBHSA-N	1	1	357.479	2.177	20	30		FEEDMO
Cc1nccc([C@@H]2CCC[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)n1	ZINC000528357937	562324554	/nfs/dbraw/zinc/32/45/54/562324554.db2.gz	WIXYARFRFYNMED-QGZVFWFLSA-N	1	1	374.444	2.264	20	30		FEEDMO
Cc1nccc([C@@H]2CCC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)n1	ZINC000528357937	562324555	/nfs/dbraw/zinc/32/45/55/562324555.db2.gz	WIXYARFRFYNMED-QGZVFWFLSA-N	1	1	374.444	2.264	20	30		FEEDMO
Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC#CCN1C(=O)c2ccccc2C1=O	ZINC000528431602	562329031	/nfs/dbraw/zinc/32/90/31/562329031.db2.gz	WXPJEAQQKXUROS-SFHVURJKSA-N	1	1	362.433	2.463	20	30		FEEDMO
CC(C)[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000528488877	562332068	/nfs/dbraw/zinc/33/20/68/562332068.db2.gz	KIYOZARICIRPAN-SFHVURJKSA-N	1	1	361.511	2.462	20	30		FEEDMO
CC(C)[C@@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1	ZINC000528488877	562332069	/nfs/dbraw/zinc/33/20/69/562332069.db2.gz	KIYOZARICIRPAN-SFHVURJKSA-N	1	1	361.511	2.462	20	30		FEEDMO
CC1(C)C[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1[C@@H]1CCCO1	ZINC000528504126	562332770	/nfs/dbraw/zinc/33/27/70/562332770.db2.gz	MQZIDTXJLWPXOS-ZWKOTPCHSA-N	1	1	352.434	2.175	20	30		FEEDMO
CC1(C)C[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1[C@@H]1CCCO1	ZINC000528504126	562332771	/nfs/dbraw/zinc/33/27/71/562332771.db2.gz	MQZIDTXJLWPXOS-ZWKOTPCHSA-N	1	1	352.434	2.175	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1	ZINC000528504147	562332848	/nfs/dbraw/zinc/33/28/48/562332848.db2.gz	BPYHFAONGNIAMU-RTBURBONSA-N	1	1	364.445	2.320	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1	ZINC000528504147	562332849	/nfs/dbraw/zinc/33/28/49/562332849.db2.gz	BPYHFAONGNIAMU-RTBURBONSA-N	1	1	364.445	2.320	20	30		FEEDMO
CC(C)[C@]1(CO)CCC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C1	ZINC000528511157	562333198	/nfs/dbraw/zinc/33/31/98/562333198.db2.gz	DMNJHAHGRUXDMM-OAQYLSRUSA-N	1	1	354.450	2.017	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@@H+]3CC4(CCOCC4)CC[C@H]3CO)o2)c1	ZINC000528642847	562340038	/nfs/dbraw/zinc/34/00/38/562340038.db2.gz	WXLFJLHYKVDXEF-KRWDZBQOSA-N	1	1	368.437	2.362	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1	ZINC000530627744	562418357	/nfs/dbraw/zinc/41/83/57/562418357.db2.gz	SDZHSYXJHCJCLP-XLIONFOSSA-N	1	1	355.482	2.453	20	30		FEEDMO
N#Cc1cccc(CC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)c1	ZINC000530911006	562428403	/nfs/dbraw/zinc/42/84/03/562428403.db2.gz	IHRGCVVTLMBVRN-IBGZPJMESA-N	1	1	362.433	2.189	20	30		FEEDMO
N#Cc1cccc(CC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)c1	ZINC000530911006	562428404	/nfs/dbraw/zinc/42/84/04/562428404.db2.gz	IHRGCVVTLMBVRN-IBGZPJMESA-N	1	1	362.433	2.189	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C	ZINC000531012688	562431899	/nfs/dbraw/zinc/43/18/99/562431899.db2.gz	HIXHSHJULDEJMD-DOMZBBRYSA-N	1	1	362.861	2.481	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000531282420	562440474	/nfs/dbraw/zinc/44/04/74/562440474.db2.gz	DCNNZQYCCQDDRQ-HNNXBMFYSA-N	1	1	351.447	2.050	20	30		FEEDMO
CN1CC[NH+](CCOc2ccc(NC(=O)c3ccc(C#N)s3)cc2)CC1	ZINC000531391370	562444497	/nfs/dbraw/zinc/44/44/97/562444497.db2.gz	NEUZNWJEKLIFQG-UHFFFAOYSA-N	1	1	370.478	2.498	20	30		FEEDMO
N#CCN1CCC(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000531536668	562448991	/nfs/dbraw/zinc/44/89/91/562448991.db2.gz	YTGNLNOCCIFADI-IBGZPJMESA-N	1	1	358.461	2.142	20	30		FEEDMO
N#CCN1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1	ZINC000531536668	562448992	/nfs/dbraw/zinc/44/89/92/562448992.db2.gz	YTGNLNOCCIFADI-IBGZPJMESA-N	1	1	358.461	2.142	20	30		FEEDMO
CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000531614928	562451654	/nfs/dbraw/zinc/45/16/54/562451654.db2.gz	KPMLYSFWZAIQJC-INIZCTEOSA-N	1	1	362.474	2.086	20	30		FEEDMO
CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000531614928	562451655	/nfs/dbraw/zinc/45/16/55/562451655.db2.gz	KPMLYSFWZAIQJC-INIZCTEOSA-N	1	1	362.474	2.086	20	30		FEEDMO
C=C(C)COCCNC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000532396939	562476446	/nfs/dbraw/zinc/47/64/46/562476446.db2.gz	LJGVBPNZYSGEBL-IEBWSBKVSA-N	1	1	361.486	2.168	20	30		FEEDMO
C=C(C)COCCNC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000532396939	562476447	/nfs/dbraw/zinc/47/64/47/562476447.db2.gz	LJGVBPNZYSGEBL-IEBWSBKVSA-N	1	1	361.486	2.168	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1	ZINC000532580981	562482019	/nfs/dbraw/zinc/48/20/19/562482019.db2.gz	IVKPNYULWPKKSH-PKOBYXMFSA-N	1	1	368.481	2.409	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1	ZINC000532580981	562482020	/nfs/dbraw/zinc/48/20/20/562482020.db2.gz	IVKPNYULWPKKSH-PKOBYXMFSA-N	1	1	368.481	2.409	20	30		FEEDMO
C=C1CC[NH+]([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1	ZINC000532961498	562494077	/nfs/dbraw/zinc/49/40/77/562494077.db2.gz	PFGZAAXOJONCPF-SFHVURJKSA-N	1	1	357.498	2.176	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@@H+]2CCn3c(nnc3-c3cccnc3)C2)c1	ZINC000533483931	562510608	/nfs/dbraw/zinc/51/06/08/562510608.db2.gz	HSCFWWONPJXRMD-UHFFFAOYSA-N	1	1	373.420	2.056	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCn3c(nnc3-c3cccnc3)C2)c1	ZINC000533483931	562510609	/nfs/dbraw/zinc/51/06/09/562510609.db2.gz	HSCFWWONPJXRMD-UHFFFAOYSA-N	1	1	373.420	2.056	20	30		FEEDMO
COc1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)sc1Br	ZINC000533945463	562522009	/nfs/dbraw/zinc/52/20/09/562522009.db2.gz	UIVQFLGDNXHDIL-UHFFFAOYSA-N	1	1	358.261	2.237	20	30		FEEDMO
CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1	ZINC000534713130	562540953	/nfs/dbraw/zinc/54/09/53/562540953.db2.gz	AYTTXHNFQQWZSL-AWEZNQCLSA-N	1	1	374.510	2.081	20	30		FEEDMO
CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1	ZINC000535167827	562552483	/nfs/dbraw/zinc/55/24/83/562552483.db2.gz	NERMVVQTGOPINV-OAHLLOKOSA-N	1	1	357.454	2.473	20	30		FEEDMO
CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1	ZINC000535167827	562552484	/nfs/dbraw/zinc/55/24/84/562552484.db2.gz	NERMVVQTGOPINV-OAHLLOKOSA-N	1	1	357.454	2.473	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C3(C#N)CCCC3)CC2)C[C@H](C)O1	ZINC000536919846	562582781	/nfs/dbraw/zinc/58/27/81/562582781.db2.gz	FLBPALUEGKTPRB-CALCHBBNSA-N	1	1	363.502	2.187	20	30		FEEDMO
C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C3(C#N)CCCC3)CC2)C[C@H](C)O1	ZINC000536919846	562582782	/nfs/dbraw/zinc/58/27/82/562582782.db2.gz	FLBPALUEGKTPRB-CALCHBBNSA-N	1	1	363.502	2.187	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(Cc2ccc(C#N)cc2OC(F)F)[C@H](C)C1	ZINC000537118453	562585823	/nfs/dbraw/zinc/58/58/23/562585823.db2.gz	MRMGWTYARQMGNF-CYBMUJFWSA-N	1	1	367.396	2.229	20	30		FEEDMO
C=C1CC[NH+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1	ZINC000537247850	562588624	/nfs/dbraw/zinc/58/86/24/562588624.db2.gz	HIMVICMFGQULJA-IBGZPJMESA-N	1	1	356.445	2.187	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000540997776	562599931	/nfs/dbraw/zinc/59/99/31/562599931.db2.gz	LYJHGZBBEQIUCO-MRXNPFEDSA-N	1	1	353.507	2.036	20	30		FEEDMO
C=CCSCCNC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000541887613	562622083	/nfs/dbraw/zinc/62/20/83/562622083.db2.gz	SXICPQLYDXJEQA-HNNXBMFYSA-N	1	1	368.572	2.255	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1CCC[C@H]1C#N	ZINC000601853440	567861127	/nfs/dbraw/zinc/86/11/27/567861127.db2.gz	AMMSOGKHZYWYCO-YVSFHVDLSA-N	1	1	356.474	2.128	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)N1CCN(CCC#N)CC1)c1ccccc1Cl	ZINC000602229829	567957696	/nfs/dbraw/zinc/95/76/96/567957696.db2.gz	MAGBTLQSKBKPMJ-QGZVFWFLSA-N	1	1	363.893	2.184	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCc3c(CC#N)cccc3C2)C1	ZINC000602232075	567958003	/nfs/dbraw/zinc/95/80/03/567958003.db2.gz	ZIHCVFNXQSDDAN-LJQANCHMSA-N	1	1	370.497	2.177	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(Nc2ccccc2C#N)CC1	ZINC000602894271	568013809	/nfs/dbraw/zinc/01/38/09/568013809.db2.gz	JRZKCPMAHQSELZ-MRXNPFEDSA-N	1	1	353.470	2.443	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)C1CC1	ZINC000602925241	568018378	/nfs/dbraw/zinc/01/83/78/568018378.db2.gz	HZDRZBDRHUCHBC-GOEBONIOSA-N	1	1	355.360	2.137	20	30		FEEDMO
Cc1ccc(N2CCC(C(=O)N3C[C@H](C)N(CC#N)[C@@H](C)C3)CC2)[nH+]c1	ZINC000603101989	568061904	/nfs/dbraw/zinc/06/19/04/568061904.db2.gz	RGCKVACJXNWBTG-IRXDYDNUSA-N	1	1	355.486	2.051	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F	ZINC000603147429	568064468	/nfs/dbraw/zinc/06/44/68/568064468.db2.gz	XIIKMXOYHOFPLE-OIISXLGYSA-N	1	1	371.403	2.165	20	30		FEEDMO
C[C@@H](NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1cncc(F)c1	ZINC000330319327	568237644	/nfs/dbraw/zinc/23/76/44/568237644.db2.gz	RGCNGEKFMXYRQQ-UONOGXRCSA-N	1	1	350.438	2.381	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](N2CCCC2=O)CC1	ZINC000570612437	568490981	/nfs/dbraw/zinc/49/09/81/568490981.db2.gz	IBJVGLSOBDAWFK-QGZVFWFLSA-N	1	1	354.454	2.364	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1)[N@H+](C)Cc1ccccc1	ZINC000735561429	599192862	/nfs/dbraw/zinc/19/28/62/599192862.db2.gz	YLAUVLWWIBOOBL-ZDUSSCGKSA-N	1	1	361.409	2.197	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[nH]n2)c1)[N@@H+](C)Cc1ccccc1	ZINC000735561429	599192865	/nfs/dbraw/zinc/19/28/65/599192865.db2.gz	YLAUVLWWIBOOBL-ZDUSSCGKSA-N	1	1	361.409	2.197	20	30		FEEDMO
N#Cc1cccc(CN2CCC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CC2)c1	ZINC000737722041	598417423	/nfs/dbraw/zinc/41/74/23/598417423.db2.gz	DZMXNNQNWIRKEL-UHFFFAOYSA-N	1	1	373.464	2.446	20	30		FEEDMO
N#Cc1cccc(C[N@@H+]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)CC2)c1	ZINC000737722041	598417424	/nfs/dbraw/zinc/41/74/24/598417424.db2.gz	DZMXNNQNWIRKEL-UHFFFAOYSA-N	1	1	373.464	2.446	20	30		FEEDMO
N#Cc1cccc(C[N@H+]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)CC2)c1	ZINC000737722041	598417425	/nfs/dbraw/zinc/41/74/25/598417425.db2.gz	DZMXNNQNWIRKEL-UHFFFAOYSA-N	1	1	373.464	2.446	20	30		FEEDMO
Cc1cc(N2CCC([NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)nc(C)[nH+]1	ZINC000832888108	601381795	/nfs/dbraw/zinc/38/17/95/601381795.db2.gz	CJQKPGXKVQZHPV-LJQANCHMSA-N	1	1	365.437	2.349	20	30		FEEDMO
C[C@@]1(C#N)CCC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1	ZINC000824776831	608125659	/nfs/dbraw/zinc/12/56/59/608125659.db2.gz	DLZFOOSMJKHHCL-KRWDZBQOSA-N	1	1	373.848	2.474	20	30		FEEDMO
C[C@@]1(C#N)CCC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1	ZINC000824776831	608125660	/nfs/dbraw/zinc/12/56/60/608125660.db2.gz	DLZFOOSMJKHHCL-KRWDZBQOSA-N	1	1	373.848	2.474	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)s1	ZINC000826385039	608515602	/nfs/dbraw/zinc/51/56/02/608515602.db2.gz	UTQJKLSZFDKHGO-UHFFFAOYSA-N	1	1	351.439	2.122	20	30		FEEDMO
C#C[C@@H](NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)c1ccc(Cl)cc1	ZINC000811904770	674637714	/nfs/dbraw/zinc/63/77/14/674637714.db2.gz	MRHZIIUNXVPWTR-CRAIPNDOSA-N	1	1	362.905	2.340	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=Cc1ccc(C2CCC2)cc1	ZINC000814728206	674876916	/nfs/dbraw/zinc/87/69/16/674876916.db2.gz	OVJUHMLJPSSSKD-UHFFFAOYSA-N	1	1	360.527	2.474	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(F)F)c1Cl	ZINC000815860982	674978840	/nfs/dbraw/zinc/97/88/40/674978840.db2.gz	KUZFTEANVOFFGL-UHFFFAOYSA-N	1	1	357.788	2.287	20	30		FEEDMO
Cc1ccc(NC(=O)CO[NH+]=C(N)C2CCOCC2)c(Br)c1	ZINC000112086974	670865814	/nfs/dbraw/zinc/86/58/14/670865814.db2.gz	ORZRJJIZEMUPFK-UHFFFAOYSA-N	1	1	370.247	2.411	20	30		FEEDMO
CC1CC[NH+]([C@H](CNC[C@H](O)CN(C)CCC#N)c2cccs2)CC1	ZINC000565762838	675149418	/nfs/dbraw/zinc/14/94/18/675149418.db2.gz	ZCUQHXYKEDTNJO-ZWKOTPCHSA-N	1	1	364.559	2.317	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1	ZINC000576343992	671362128	/nfs/dbraw/zinc/36/21/28/671362128.db2.gz	NBURGNHGQBAYEN-SPYBWZPUSA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1	ZINC000576343992	671362131	/nfs/dbraw/zinc/36/21/31/671362131.db2.gz	NBURGNHGQBAYEN-SPYBWZPUSA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(C)Cc1ccc([C@H](CNS(=O)(=O)N(C)CCC#N)[NH+](C)C)cc1	ZINC000577972811	671632109	/nfs/dbraw/zinc/63/21/09/671632109.db2.gz	LKQYPXHQCWRPKW-SFHVURJKSA-N	1	1	366.531	2.168	20	30		FEEDMO
COCCC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000120139747	671918407	/nfs/dbraw/zinc/91/84/07/671918407.db2.gz	OEWFZHYXJOAMCO-NVXWUHKLSA-N	1	1	366.483	2.003	20	30		FEEDMO
COCCC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000120139747	671918408	/nfs/dbraw/zinc/91/84/08/671918408.db2.gz	OEWFZHYXJOAMCO-NVXWUHKLSA-N	1	1	366.483	2.003	20	30		FEEDMO
C[C@@H](O)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1F	ZINC000583143351	672067391	/nfs/dbraw/zinc/06/73/91/672067391.db2.gz	HQRZVRULBKHROI-FZKQIMNGSA-N	1	1	362.426	2.183	20	30		FEEDMO
C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CC(=O)NC1(C#N)CCCCC1	ZINC000171955188	672337942	/nfs/dbraw/zinc/33/79/42/672337942.db2.gz	PHIDZYFUEZBNIV-CQSZACIVSA-N	1	1	352.479	2.174	20	30		FEEDMO
C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1	ZINC000171955188	672337944	/nfs/dbraw/zinc/33/79/44/672337944.db2.gz	PHIDZYFUEZBNIV-CQSZACIVSA-N	1	1	352.479	2.174	20	30		FEEDMO
N#Cc1nc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)sc1Cl	ZINC000590572536	672590956	/nfs/dbraw/zinc/59/09/56/672590956.db2.gz	KXQIYILGBZYMGW-UHFFFAOYSA-N	1	1	365.865	3.041	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)c1ccsc1	ZINC000590589213	672593371	/nfs/dbraw/zinc/59/33/71/672593371.db2.gz	VCAFNJCVGJWSOT-MRXNPFEDSA-N	1	1	367.471	2.481	20	30		FEEDMO
C=CCn1c(C2CC2)nn(CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1=S	ZINC000188962258	672603841	/nfs/dbraw/zinc/60/38/41/672603841.db2.gz	BFINMNOZQHSSLG-AWEZNQCLSA-N	1	1	365.547	2.212	20	30		FEEDMO
N#CC[C@]1(O)CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1	ZINC000592521999	672810297	/nfs/dbraw/zinc/81/02/97/672810297.db2.gz	GNFZGKSSQQSSFD-INIZCTEOSA-N	1	1	361.243	2.485	20	30		FEEDMO
N#CC[C@]1(O)CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1	ZINC000592521999	672810301	/nfs/dbraw/zinc/81/03/01/672810301.db2.gz	GNFZGKSSQQSSFD-INIZCTEOSA-N	1	1	361.243	2.485	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@](C)(C#N)C2)[C@@H](C)C1	ZINC000612128155	676069904	/nfs/dbraw/zinc/06/99/04/676069904.db2.gz	ZSEMMZPNAIKYMS-LNLFQRSKSA-N	1	1	350.507	2.459	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccsc1C#N)c1ccc(F)cc1	ZINC000593533642	672935897	/nfs/dbraw/zinc/93/58/97/672935897.db2.gz	SUSTXJYJSXTXTA-CYBMUJFWSA-N	1	1	353.444	2.340	20	30		FEEDMO
CC(C)(C#N)c1ccc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)cc1	ZINC000593592454	672953559	/nfs/dbraw/zinc/95/35/59/672953559.db2.gz	JZAUKUCPDGUGIJ-UHFFFAOYSA-N	1	1	358.467	2.499	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000289087003	672988289	/nfs/dbraw/zinc/98/82/89/672988289.db2.gz	GKVKQXTWOJXTTD-CZUORRHYSA-N	1	1	358.866	2.415	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000289087003	672988291	/nfs/dbraw/zinc/98/82/91/672988291.db2.gz	GKVKQXTWOJXTTD-CZUORRHYSA-N	1	1	358.866	2.415	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+]1CCOc2cccc(Br)c2C1	ZINC000594028391	673022756	/nfs/dbraw/zinc/02/27/56/673022756.db2.gz	OMMHHPBMCNXAQI-UHFFFAOYSA-N	1	1	366.259	2.406	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCOc2cccc(Br)c2C1	ZINC000594028391	673022759	/nfs/dbraw/zinc/02/27/59/673022759.db2.gz	OMMHHPBMCNXAQI-UHFFFAOYSA-N	1	1	366.259	2.406	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)C1	ZINC000328860757	673068414	/nfs/dbraw/zinc/06/84/14/673068414.db2.gz	ANFGXMMUKDWPKP-MRXNPFEDSA-N	1	1	367.515	2.365	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)[N@H+](C)C1	ZINC000329045396	673071548	/nfs/dbraw/zinc/07/15/48/673071548.db2.gz	USDKKSOTNKNCCK-KKUMJFAQSA-N	1	1	351.834	2.121	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)[N@@H+](C)C1	ZINC000329045396	673071552	/nfs/dbraw/zinc/07/15/52/673071552.db2.gz	USDKKSOTNKNCCK-KKUMJFAQSA-N	1	1	351.834	2.121	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)c2cccc(N3CCCS3(=O)=O)c2)CC[N@H+]1C	ZINC000329739701	673082748	/nfs/dbraw/zinc/08/27/48/673082748.db2.gz	UZJDLIZOXFNHNN-HIFRSBDPSA-N	1	1	351.472	2.014	20	30		FEEDMO
CCC1(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CCOCC1	ZINC000330240933	673088152	/nfs/dbraw/zinc/08/81/52/673088152.db2.gz	FLHCSYPAFOHQEP-MRXNPFEDSA-N	1	1	353.507	2.292	20	30		FEEDMO
C#CCNC(=O)CN1CC[NH+]([C@H](C)c2ccc(C(F)(F)F)cc2)CC1	ZINC000728571874	673204225	/nfs/dbraw/zinc/20/42/25/673204225.db2.gz	PIFDCSLALXQYTH-CQSZACIVSA-N	1	1	353.388	2.133	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cccc(F)c1OC(F)F	ZINC000595397353	673242321	/nfs/dbraw/zinc/24/23/21/673242321.db2.gz	UPVOKHBAQIHPNN-UHFFFAOYSA-N	1	1	353.348	2.669	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCCN(c2cccc(F)c2F)CC1	ZINC000595506321	673259159	/nfs/dbraw/zinc/25/91/59/673259159.db2.gz	FAFMSLVNNCNSTM-UHFFFAOYSA-N	1	1	350.413	2.239	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCCN(c2cccc(F)c2F)CC1	ZINC000595506321	673259163	/nfs/dbraw/zinc/25/91/63/673259163.db2.gz	FAFMSLVNNCNSTM-UHFFFAOYSA-N	1	1	350.413	2.239	20	30		FEEDMO
N#Cc1sccc1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1	ZINC000596151315	673363428	/nfs/dbraw/zinc/36/34/28/673363428.db2.gz	HHKWQYCRZNAXBG-HUUCEWRRSA-N	1	1	359.499	2.078	20	30		FEEDMO
O=C(NCC[NH2+]Cc1nc(-c2ccccc2)cs1)C1N=CC=CC1=O	ZINC000733332774	673409970	/nfs/dbraw/zinc/40/99/70/673409970.db2.gz	AJPBJWITVNEVHF-ISLYRVAYSA-N	1	1	354.435	2.426	20	30		FEEDMO
N#CCc1ccc(OC[C@H](O)C[N@H+]2CCSC3(CCOCC3)C2)cc1	ZINC000613749184	676145176	/nfs/dbraw/zinc/14/51/76/676145176.db2.gz	RMZBHHJAFRWUEY-QGZVFWFLSA-N	1	1	362.495	2.090	20	30		FEEDMO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1	ZINC000597862258	673513842	/nfs/dbraw/zinc/51/38/42/673513842.db2.gz	YTIPLGCRKLJZQV-AUUYWEPGSA-N	1	1	351.491	2.485	20	30		FEEDMO
C[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@H](c1cccs1)N1CCOCC1	ZINC000598588412	673587198	/nfs/dbraw/zinc/58/71/98/673587198.db2.gz	LKXAPGGHIALHLB-HZPDHXFCSA-N	1	1	351.516	2.354	20	30		FEEDMO
C=CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000739912610	673638504	/nfs/dbraw/zinc/63/85/04/673638504.db2.gz	OMSBRFRYDYTYKZ-MRXNPFEDSA-N	1	1	351.491	2.354	20	30		FEEDMO
C#CCSCCNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000740478693	673647449	/nfs/dbraw/zinc/64/74/49/673647449.db2.gz	JEZFYPHKQOLMDZ-UHFFFAOYSA-N	1	1	367.559	2.466	20	30		FEEDMO
CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000599339002	673661080	/nfs/dbraw/zinc/66/10/80/673661080.db2.gz	DMMXMRHDKNTEJB-IAGOWNOFSA-N	1	1	352.475	2.113	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599501496	673685517	/nfs/dbraw/zinc/68/55/17/673685517.db2.gz	YOQOJXDVKNFFRY-MAUKXSAKSA-N	1	1	352.475	2.254	20	30		FEEDMO
CC[N@H+]1CCC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)[C@@H](C)C1	ZINC000741459759	673687591	/nfs/dbraw/zinc/68/75/91/673687591.db2.gz	GWYJTBZDWFVPLU-ZDUSSCGKSA-N	1	1	367.519	2.288	20	30		FEEDMO
Cc1nc(SCC(=O)N2CC[NH+](CCCF)CC2)c(C#N)c(C)c1C	ZINC000600072659	673738531	/nfs/dbraw/zinc/73/85/31/673738531.db2.gz	ZLWBGZYAVRUQOZ-UHFFFAOYSA-N	1	1	364.490	2.474	20	30		FEEDMO
C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ncc(C#N)c3ccsc32)C1	ZINC000601130839	673827702	/nfs/dbraw/zinc/82/77/02/673827702.db2.gz	PEJNPZFGNSKBPX-SNVBAGLBSA-N	1	1	357.468	2.257	20	30		FEEDMO
CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc(C#N)n2)cc1	ZINC000602500835	673906917	/nfs/dbraw/zinc/90/69/17/673906917.db2.gz	BLWVETLEMIEAMC-UHFFFAOYSA-N	1	1	358.467	2.274	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@@H]([N@@H+]2CCC[C@@H](n3ccnn3)CC2)C1=O	ZINC000602891835	673912997	/nfs/dbraw/zinc/91/29/97/673912997.db2.gz	JOZMYYMZIUTITJ-HUUCEWRRSA-N	1	1	356.455	2.044	20	30		FEEDMO
N#Cc1ccsc1N1CC[C@@H]([N@H+]2CCC[C@@H](n3ccnn3)CC2)C1=O	ZINC000602891835	673913002	/nfs/dbraw/zinc/91/30/02/673913002.db2.gz	JOZMYYMZIUTITJ-HUUCEWRRSA-N	1	1	356.455	2.044	20	30		FEEDMO
CO[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@](C)(CO)C1	ZINC000602964735	673914617	/nfs/dbraw/zinc/91/46/17/673914617.db2.gz	SXUOAMDDXYDTOK-RHSMWYFYSA-N	1	1	351.834	2.012	20	30		FEEDMO
COC(=O)[C@@H]([NH2+]CCCNC(=O)c1cc(C#N)ccc1Cl)C(C)C	ZINC000603065483	673916693	/nfs/dbraw/zinc/91/66/93/673916693.db2.gz	DQPSBQRWNABSLD-HNNXBMFYSA-N	1	1	351.834	2.119	20	30		FEEDMO
CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C1	ZINC000603151526	673918204	/nfs/dbraw/zinc/91/82/04/673918204.db2.gz	ANFISKNOODMFRX-ROUUACIJSA-N	1	1	358.511	2.033	20	30		FEEDMO
N#Cc1cc(F)c(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1Br	ZINC000566477300	675217357	/nfs/dbraw/zinc/21/73/57/675217357.db2.gz	AWTNOLWGGNZLIX-CQSZACIVSA-N	1	1	369.238	2.212	20	30		FEEDMO
N#Cc1cc(F)c(NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Br	ZINC000566477297	675217431	/nfs/dbraw/zinc/21/74/31/675217431.db2.gz	AWTNOLWGGNZLIX-AWEZNQCLSA-N	1	1	369.238	2.212	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1cnc(SC2CCCC2)nc1	ZINC000819057435	675256467	/nfs/dbraw/zinc/25/64/67/675256467.db2.gz	RPXJQBULYKLETO-KRWDZBQOSA-N	1	1	358.511	2.268	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1cnc(SC2CCCC2)nc1	ZINC000819057435	675256468	/nfs/dbraw/zinc/25/64/68/675256468.db2.gz	RPXJQBULYKLETO-KRWDZBQOSA-N	1	1	358.511	2.268	20	30		FEEDMO
C#C[C@H](NC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccc(Cl)cc1	ZINC000820553986	675369676	/nfs/dbraw/zinc/36/96/76/675369676.db2.gz	YJKMOOOBYKRDIU-ROUUACIJSA-N	1	1	361.873	2.255	20	30		FEEDMO
C#C[C@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)c1ccc(Cl)cc1F	ZINC000820749407	675384780	/nfs/dbraw/zinc/38/47/80/675384780.db2.gz	AMCRRSUQDMIMBT-DCGLDWPTSA-N	1	1	367.852	2.250	20	30		FEEDMO
CC(C)NS(=O)(=O)c1cccc(-c2noc([C@H]([NH3+])CCCC#N)n2)c1	ZINC000822932014	675517500	/nfs/dbraw/zinc/51/75/00/675517500.db2.gz	UIMJMUKYAGNJTK-CQSZACIVSA-N	1	1	363.443	2.117	20	30		FEEDMO
C#CCN(CC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1)C(=O)OC(C)(C)C	ZINC000823333225	675545441	/nfs/dbraw/zinc/54/54/41/675545441.db2.gz	URPRGMCPYOLMIY-HOTGVXAUSA-N	1	1	351.491	2.093	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CC[C@H]21	ZINC000827234086	675742089	/nfs/dbraw/zinc/74/20/89/675742089.db2.gz	WNNRFLZDMPJGFA-XJKSGUPXSA-N	1	1	362.271	2.416	20	30		FEEDMO
C#C[C@H]([NH2+]Cc1ncc(I)s1)C1CCOCC1	ZINC000827560839	675764885	/nfs/dbraw/zinc/76/48/85/675764885.db2.gz	VEMYAAVECBVDHY-JTQLQIEISA-N	1	1	362.236	2.266	20	30		FEEDMO
N#Cc1cc(F)c(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c(F)c1	ZINC000603423439	675799135	/nfs/dbraw/zinc/79/91/35/675799135.db2.gz	OUENXMDSQQVTFO-OAHLLOKOSA-N	1	1	350.413	2.045	20	30		FEEDMO
N#Cc1cc(F)c(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(F)c1	ZINC000603423439	675799136	/nfs/dbraw/zinc/79/91/36/675799136.db2.gz	OUENXMDSQQVTFO-OAHLLOKOSA-N	1	1	350.413	2.045	20	30		FEEDMO
C#CCN(CC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)C(=O)OC(C)(C)C	ZINC000828490355	675823454	/nfs/dbraw/zinc/82/34/54/675823454.db2.gz	CSWCXPZBZZEAFV-HOTGVXAUSA-N	1	1	351.491	2.188	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2nc(C(C)C)ncc2Br)C1	ZINC000829582091	675884097	/nfs/dbraw/zinc/88/40/97/675884097.db2.gz	IUCPMAGPEZZDRK-LBPRGKRZSA-N	1	1	365.275	2.190	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2nc(C(C)C)ncc2Br)C1	ZINC000829582091	675884098	/nfs/dbraw/zinc/88/40/98/675884098.db2.gz	IUCPMAGPEZZDRK-LBPRGKRZSA-N	1	1	365.275	2.190	20	30		FEEDMO
C[NH+]1CCN(CCCCNC(=O)NCc2ccc(C#N)c(Cl)c2)CC1	ZINC000619755965	676393491	/nfs/dbraw/zinc/39/34/91/676393491.db2.gz	GIIGXXHCUHBJIA-UHFFFAOYSA-N	1	1	363.893	2.038	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1ccc(C#N)c(Cl)c1	ZINC000619760229	676393689	/nfs/dbraw/zinc/39/36/89/676393689.db2.gz	DAUONNZBYGBFHB-CQSZACIVSA-N	1	1	363.893	2.037	20	30		FEEDMO
C=C[C@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1	ZINC000628148800	676792555	/nfs/dbraw/zinc/79/25/55/676792555.db2.gz	AUGJARWKLFJHNN-BRWVUGGUSA-N	1	1	357.479	2.022	20	30		FEEDMO
C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)CC1(O)CCOCC1	ZINC000639643660	677162952	/nfs/dbraw/zinc/16/29/52/677162952.db2.gz	LYSPLAOWTGJUPJ-GOSISDBHSA-N	1	1	351.491	2.135	20	30		FEEDMO
C[C@]12C[N@@H+](CC#Cc3ccc(C(F)(F)F)cc3)C[C@@]1(C)C(=O)NC2=O	ZINC000639950808	677169708	/nfs/dbraw/zinc/16/97/08/677169708.db2.gz	DSDXKSFCMKXLCO-CALCHBBNSA-N	1	1	350.340	2.042	20	30		FEEDMO
CCOC(=O)CC(C)(C)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N	ZINC000839012266	680732615	/nfs/dbraw/zinc/73/26/15/680732615.db2.gz	XXXKHUFIWPHIRG-ZIAGYGMSSA-N	1	1	353.463	2.314	20	30		FEEDMO
C[C@H](CCC#N)[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000839476213	680754991	/nfs/dbraw/zinc/75/49/91/680754991.db2.gz	BKPCMXYZBGVGDP-CABCVRRESA-N	1	1	352.479	2.032	20	30		FEEDMO
C[C@@H](CCC#N)[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1	ZINC000839476214	680755021	/nfs/dbraw/zinc/75/50/21/680755021.db2.gz	BKPCMXYZBGVGDP-GJZGRUSLSA-N	1	1	352.479	2.032	20	30		FEEDMO
C[C@@H]1COCCC[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000676712353	679640660	/nfs/dbraw/zinc/64/06/60/679640660.db2.gz	KTWPGPYEWVNYRQ-CQSZACIVSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[C@@H]1COCCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000676712353	679640662	/nfs/dbraw/zinc/64/06/62/679640662.db2.gz	KTWPGPYEWVNYRQ-CQSZACIVSA-N	1	1	354.372	2.284	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1	ZINC000747822704	679905329	/nfs/dbraw/zinc/90/53/29/679905329.db2.gz	DAONAXRPADSPEY-UHFFFAOYSA-N	1	1	362.857	2.463	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cnns2)C1	ZINC001017129921	680069643	/nfs/dbraw/zinc/06/96/43/680069643.db2.gz	IKHCSAJJLZGJLJ-UAGQMJEPSA-N	1	1	364.515	2.190	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2cnns2)C1	ZINC001017129921	680069644	/nfs/dbraw/zinc/06/96/44/680069644.db2.gz	IKHCSAJJLZGJLJ-UAGQMJEPSA-N	1	1	364.515	2.190	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@]12CCC[C@H]1[N@@H+](CCc1ccns1)CC2	ZINC000992242438	680098114	/nfs/dbraw/zinc/09/81/14/680098114.db2.gz	RNKDLLUSTGWVLL-NTDBWNAOSA-N	1	1	361.511	2.390	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CCOC2CCC2)CC1(C)C	ZINC000977326074	680160461	/nfs/dbraw/zinc/16/04/61/680160461.db2.gz	KVLVQKJICLKZCA-BZSNNMDCSA-N	1	1	350.503	2.363	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3scnc3C)C[C@H]21	ZINC000978165360	680170106	/nfs/dbraw/zinc/17/01/06/680170106.db2.gz	HMBDZJKCMCWIOK-MTSZKFMLSA-N	1	1	361.511	2.227	20	30		FEEDMO
Brc1ccc2ncc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)n2c1	ZINC000753940196	680325353	/nfs/dbraw/zinc/32/53/53/680325353.db2.gz	RZYSUXZREMCAGO-BETUJISGSA-N	1	1	361.247	2.291	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2	ZINC000997008304	680345482	/nfs/dbraw/zinc/34/54/82/680345482.db2.gz	RQECEWHYVUUWER-XJBGLIRHSA-N	1	1	367.921	2.353	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCn1cc(Cl)cn1	ZINC001027890719	680362878	/nfs/dbraw/zinc/36/28/78/680362878.db2.gz	GXGSAZSMOPFNKT-ZACQAIPSSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCn1cc(Cl)cn1	ZINC001027890719	680362883	/nfs/dbraw/zinc/36/28/83/680362883.db2.gz	GXGSAZSMOPFNKT-ZACQAIPSSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCn1cc(Cl)cn1	ZINC001027890718	680362927	/nfs/dbraw/zinc/36/29/27/680362927.db2.gz	GXGSAZSMOPFNKT-BBWFWOEESA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCn1cc(Cl)cn1	ZINC001027890718	680362931	/nfs/dbraw/zinc/36/29/31/680362931.db2.gz	GXGSAZSMOPFNKT-BBWFWOEESA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cc(OC)ns2)C1	ZINC001028549744	680374432	/nfs/dbraw/zinc/37/44/32/680374432.db2.gz	WYAKBEQCEAHQTG-BMFZPTHFSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2csnc2OC)C1	ZINC001028551651	680375389	/nfs/dbraw/zinc/37/53/89/680375389.db2.gz	UOSMDNBFIVDDDA-IMJJTQAJSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2csnc2OC)C1	ZINC001028551651	680375394	/nfs/dbraw/zinc/37/53/94/680375394.db2.gz	UOSMDNBFIVDDDA-IMJJTQAJSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC001028603957	680377342	/nfs/dbraw/zinc/37/73/42/680377342.db2.gz	NBDYKKJKFJFCKF-UAGQMJEPSA-N	1	1	366.893	2.078	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC001028603957	680377347	/nfs/dbraw/zinc/37/73/47/680377347.db2.gz	NBDYKKJKFJFCKF-UAGQMJEPSA-N	1	1	366.893	2.078	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1	ZINC001028683735	680379868	/nfs/dbraw/zinc/37/98/68/680379868.db2.gz	FMHMILXRJYFULO-VNQPRFMTSA-N	1	1	371.319	2.396	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1	ZINC001028683735	680379874	/nfs/dbraw/zinc/37/98/74/680379874.db2.gz	FMHMILXRJYFULO-VNQPRFMTSA-N	1	1	371.319	2.396	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2csnc2OC)C1	ZINC001028861216	680385868	/nfs/dbraw/zinc/38/58/68/680385868.db2.gz	NGWDICGEWCDIQZ-BPUTZDHNSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2csnc2OC)C1	ZINC001028861216	680385870	/nfs/dbraw/zinc/38/58/70/680385870.db2.gz	NGWDICGEWCDIQZ-BPUTZDHNSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2snnc2C)C1	ZINC001029741531	680391082	/nfs/dbraw/zinc/39/10/82/680391082.db2.gz	VXJDPUJLRAIBKA-OAGGEKHMSA-N	1	1	364.515	2.108	20	30		FEEDMO
CCCCCCCCNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000755076919	680397655	/nfs/dbraw/zinc/39/76/55/680397655.db2.gz	CWRNBHKKCMMACT-QGZVFWFLSA-N	1	1	352.523	2.295	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(CCC)s2)C1	ZINC001000246823	680425061	/nfs/dbraw/zinc/42/50/61/680425061.db2.gz	PXUZKGWYECYSDN-KFWWJZLASA-N	1	1	364.515	2.162	20	30		FEEDMO
C[NH+]1CCN(c2ncc(C=[NH+][N-]c3cc(F)c(F)cc3F)cn2)CC1	ZINC000755731781	680431502	/nfs/dbraw/zinc/43/15/02/680431502.db2.gz	XKEUBVJEPFNMSH-UHFFFAOYSA-N	1	1	350.348	2.092	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCOc1cccc(Br)c1	ZINC000836229288	680438291	/nfs/dbraw/zinc/43/82/91/680438291.db2.gz	AEJWGNGOENNBLI-UHFFFAOYSA-N	1	1	368.275	2.082	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCC1CCOCC1	ZINC001038265618	680453866	/nfs/dbraw/zinc/45/38/66/680453866.db2.gz	FVXOFPKVHYOYQY-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCOc1ncc(Cl)cc1Cl	ZINC000836364907	680458107	/nfs/dbraw/zinc/45/81/07/680458107.db2.gz	YCQHRLPUSILKCB-UHFFFAOYSA-N	1	1	359.257	2.022	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCc1ccc(F)c(F)c1	ZINC001038714335	680459717	/nfs/dbraw/zinc/45/97/17/680459717.db2.gz	NLUKMGPTUIRUQZ-DAYGRLMNSA-N	1	1	350.409	2.289	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCc1ccc(F)c(F)c1	ZINC001038714335	680459718	/nfs/dbraw/zinc/45/97/18/680459718.db2.gz	NLUKMGPTUIRUQZ-DAYGRLMNSA-N	1	1	350.409	2.289	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)CC2CCOCC2)CC1	ZINC000985694026	680471125	/nfs/dbraw/zinc/47/11/25/680471125.db2.gz	FTROMJVPKWGUTA-OALUTQOASA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCCO)C2	ZINC001040442573	680472355	/nfs/dbraw/zinc/47/23/55/680472355.db2.gz	DCVCVLNQFLUXFB-CMKODMSKSA-N	1	1	350.503	2.055	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CCCCN1C(=O)c1cccs1	ZINC000756541005	680483992	/nfs/dbraw/zinc/48/39/92/680483992.db2.gz	FCQOKBGFPDAQRI-HZPDHXFCSA-N	1	1	360.479	2.384	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)CC1(NC(=O)OC(C)(C)C)CCC1	ZINC000756556895	680485106	/nfs/dbraw/zinc/48/51/06/680485106.db2.gz	XOSOAFLDYNZGDQ-HNNXBMFYSA-N	1	1	350.459	2.465	20	30		FEEDMO
C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C	ZINC001042511156	680533189	/nfs/dbraw/zinc/53/31/89/680533189.db2.gz	VRPRRTJDAXOJOG-IJLUTSLNSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1	ZINC001004577906	680560630	/nfs/dbraw/zinc/56/06/30/680560630.db2.gz	UTHKUPWJNRERCY-OTWHNJEPSA-N	1	1	350.503	2.053	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2	ZINC001006289894	680601547	/nfs/dbraw/zinc/60/15/47/680601547.db2.gz	XPHWSLMURUTJSN-XZDPQHSOSA-N	1	1	367.921	2.498	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2	ZINC001006290890	680601907	/nfs/dbraw/zinc/60/19/07/680601907.db2.gz	YIOYASBOCLZRMG-XZDPQHSOSA-N	1	1	367.921	2.355	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nn(C)cc1Cl	ZINC001045042719	680619733	/nfs/dbraw/zinc/61/97/33/680619733.db2.gz	BJKMGJDGDHVHSJ-VBQJREDUSA-N	1	1	366.893	2.135	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](Nc3snc(C)c3C#N)C2)CC[N@H+]1C	ZINC001046621686	680650993	/nfs/dbraw/zinc/65/09/93/680650993.db2.gz	RSIKKDNYEVJEPR-KNCOVGOOSA-N	1	1	361.515	2.360	20	30		FEEDMO
C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3snc(Cl)c3C#N)C2)C1	ZINC001047310367	680660151	/nfs/dbraw/zinc/66/01/51/680660151.db2.gz	QWBBYJVWMTZEIH-QJPTWQEYSA-N	1	1	367.906	2.317	20	30		FEEDMO
C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H](Nc3nc(Cl)c(C#N)s3)C2)C1	ZINC001047310131	680660170	/nfs/dbraw/zinc/66/01/70/680660170.db2.gz	NKTAPAJAUHKDMS-QJPTWQEYSA-N	1	1	367.906	2.317	20	30		FEEDMO
C#CCCC[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1	ZINC000766895314	680891898	/nfs/dbraw/zinc/89/18/98/680891898.db2.gz	DUCYKRNYIGTJLG-UHFFFAOYSA-N	1	1	356.857	2.421	20	30		FEEDMO
C#CCCN(CC(F)(F)F)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000767204096	680902462	/nfs/dbraw/zinc/90/24/62/680902462.db2.gz	MJZFZCRAHRYDDH-MRXNPFEDSA-N	1	1	354.372	2.302	20	30		FEEDMO
C#CCCN(CC(F)(F)F)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000767204096	680902464	/nfs/dbraw/zinc/90/24/64/680902464.db2.gz	MJZFZCRAHRYDDH-MRXNPFEDSA-N	1	1	354.372	2.302	20	30		FEEDMO
C#C[C@@H](C)[N@H+](C)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000769960993	681001730	/nfs/dbraw/zinc/00/17/30/681001730.db2.gz	KCXMVFSAMDMFTL-CQSZACIVSA-N	1	1	353.388	2.308	20	30		FEEDMO
C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000769960993	681001731	/nfs/dbraw/zinc/00/17/31/681001731.db2.gz	KCXMVFSAMDMFTL-CQSZACIVSA-N	1	1	353.388	2.308	20	30		FEEDMO
CC(C)(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CCS(C)(=O)=O	ZINC000770215322	681009491	/nfs/dbraw/zinc/00/94/91/681009491.db2.gz	CXMKIVFTAJCLBQ-UHFFFAOYSA-N	1	1	351.472	2.032	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3nc(C#N)c(Cl)s3)[C@@H]2C)CC[N@H+]1C	ZINC001051146115	681064166	/nfs/dbraw/zinc/06/41/66/681064166.db2.gz	UHVMNUDUTGTOLX-KKOKHZNYSA-N	1	1	367.906	2.092	20	30		FEEDMO
C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC[C@@H]2C1	ZINC000946786401	681261401	/nfs/dbraw/zinc/26/14/01/681261401.db2.gz	KGIYSANMGBPPAZ-YYIAUSFCSA-N	1	1	362.905	2.447	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2nc3c(s2)CCC3)CC1	ZINC000932622288	681273879	/nfs/dbraw/zinc/27/38/79/681273879.db2.gz	QMOKBYUWAWQOGB-GFCCVEGCSA-N	1	1	362.499	2.212	20	30		FEEDMO
C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)CC1	ZINC000775443362	681307057	/nfs/dbraw/zinc/30/70/57/681307057.db2.gz	OQAWHDIAJVTRNT-ZDUSSCGKSA-N	1	1	354.281	2.421	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)NCCNc1cccc(C)[nH+]1	ZINC000932806318	681313333	/nfs/dbraw/zinc/31/33/33/681313333.db2.gz	DKYHGELTIWZWAN-UHFFFAOYSA-N	1	1	358.467	2.194	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N[C@@H](CC#N)C(F)(F)F)C[C@H](C)O1	ZINC000932927050	681329507	/nfs/dbraw/zinc/32/95/07/681329507.db2.gz	QJBRESWSAUPCHY-TUAOUCFPSA-N	1	1	350.385	2.018	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N[C@@H](CC#N)C(F)(F)F)C[C@H](C)O1	ZINC000932927050	681329511	/nfs/dbraw/zinc/32/95/11/681329511.db2.gz	QJBRESWSAUPCHY-TUAOUCFPSA-N	1	1	350.385	2.018	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@@H]1CCCO1	ZINC000775784839	681334644	/nfs/dbraw/zinc/33/46/44/681334644.db2.gz	LGZJZEPNBAKLDG-GJZGRUSLSA-N	1	1	355.265	2.423	20	30		FEEDMO
C#C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@H]1CCCO1	ZINC000775805913	681337156	/nfs/dbraw/zinc/33/71/56/681337156.db2.gz	HXOPZJACUDWHDG-ZIAGYGMSSA-N	1	1	352.228	2.491	20	30		FEEDMO
O=S1(=O)CCC(N[NH+]=Cc2c(Cl)cccc2N2CCCC2)CC1	ZINC000776796753	681437534	/nfs/dbraw/zinc/43/75/34/681437534.db2.gz	UGUWLVHUTKFHBL-UHFFFAOYSA-N	1	1	355.891	2.441	20	30		FEEDMO
C[N@H+]1CC[C@H](CCOC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1	ZINC000847826426	681437938	/nfs/dbraw/zinc/43/79/38/681437938.db2.gz	GYADJPALOKGYBV-OAHLLOKOSA-N	1	1	364.467	2.263	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1	ZINC000933738572	681460545	/nfs/dbraw/zinc/46/05/45/681460545.db2.gz	ZCNUDCCVNXIMKD-WTOJCKNJSA-N	1	1	358.511	2.319	20	30		FEEDMO
C=C(C)[C@@H](CO)[N@H+]1C[C@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000933860871	681475263	/nfs/dbraw/zinc/47/52/63/681475263.db2.gz	MXLAWLOSWKPSKM-JKSUJKDBSA-N	1	1	354.491	2.414	20	30		FEEDMO
C=CC1(CC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)CN(C(=O)OC(C)(C)C)C1	ZINC000935211449	681711208	/nfs/dbraw/zinc/71/12/08/681711208.db2.gz	CLOZLRVMGVTSHM-HUUCEWRRSA-N	1	1	351.491	2.351	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1	ZINC000951595226	681749525	/nfs/dbraw/zinc/74/95/25/681749525.db2.gz	YRQZZPLJNHUKCQ-SQNIBIBYSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=CC1(CC(=O)N2CC[N@H+](C)C(C)(C)C2)CN(C(=O)OC(C)(C)C)C1	ZINC000935805774	681826391	/nfs/dbraw/zinc/82/63/91/681826391.db2.gz	UIUOFPMNMLPUTC-UHFFFAOYSA-N	1	1	351.491	2.352	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1csc(C#N)c1)c1ccsc1	ZINC000913901064	685488211	/nfs/dbraw/zinc/48/82/11/685488211.db2.gz	NRWTZRBFDAVXJH-AWEZNQCLSA-N	1	1	355.510	2.404	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNS(=O)(=O)c1ccccc1C=O)C(C)C	ZINC000780853713	681878091	/nfs/dbraw/zinc/87/80/91/681878091.db2.gz	UFGFPQAAZHKCPT-QGZVFWFLSA-N	1	1	350.484	2.476	20	30		FEEDMO
Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)Cc1csc(C#N)c1	ZINC000914201643	685498627	/nfs/dbraw/zinc/49/86/27/685498627.db2.gz	LITXVRIDFSTSLH-AWEZNQCLSA-N	1	1	350.469	2.119	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1c(C(F)(F)F)nc2n1CCCC2	ZINC000850826128	681964181	/nfs/dbraw/zinc/96/41/81/681964181.db2.gz	JLJLFWSZRGUABL-GFCCVEGCSA-N	1	1	355.360	2.493	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1c(C(F)(F)F)nc2n1CCCC2	ZINC000850826128	681964183	/nfs/dbraw/zinc/96/41/83/681964183.db2.gz	JLJLFWSZRGUABL-GFCCVEGCSA-N	1	1	355.360	2.493	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](O)P(=O)(OCC)OCC)c1	ZINC000851729485	682114089	/nfs/dbraw/zinc/11/40/89/682114089.db2.gz	BIQPWPHAUQYTBJ-QGZVFWFLSA-N	1	1	368.370	2.123	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](O)P(=O)(OCC)OCC)c1	ZINC000851729485	682114091	/nfs/dbraw/zinc/11/40/91/682114091.db2.gz	BIQPWPHAUQYTBJ-QGZVFWFLSA-N	1	1	368.370	2.123	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)Cc2csc(C#N)c2)CC[N@H+](C2CCC2)C1	ZINC000915841923	685518824	/nfs/dbraw/zinc/51/88/24/685518824.db2.gz	AODYAJJRBOKSCB-ZDUSSCGKSA-N	1	1	353.513	2.256	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1cc2ccccc2o1	ZINC000916310244	685523512	/nfs/dbraw/zinc/52/35/12/685523512.db2.gz	QXAXAWZYHPKKBA-UHFFFAOYSA-N	1	1	360.483	2.343	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cs1	ZINC000917779062	685534668	/nfs/dbraw/zinc/53/46/68/685534668.db2.gz	XACVREXBTZAADU-AWEZNQCLSA-N	1	1	353.513	2.161	20	30		FEEDMO
C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C[C@]2(C)C1	ZINC000918350314	685538554	/nfs/dbraw/zinc/53/85/54/685538554.db2.gz	APPVUYHVPSSSEK-IYBDPMFKSA-N	1	1	353.875	2.174	20	30		FEEDMO
C[C@]1(C#N)CC[N@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1	ZINC000852684150	682320171	/nfs/dbraw/zinc/32/01/71/682320171.db2.gz	BUIAOADSCTYUJZ-GOSISDBHSA-N	1	1	360.483	2.290	20	30		FEEDMO
C[C@]1(C#N)CC[N@@H+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1	ZINC000852684150	682320177	/nfs/dbraw/zinc/32/01/77/682320177.db2.gz	BUIAOADSCTYUJZ-GOSISDBHSA-N	1	1	360.483	2.290	20	30		FEEDMO
C#CCC[N@@H+](CCOC)CC(=O)N[C@@H](c1nccs1)c1ccccc1	ZINC000852751276	682335154	/nfs/dbraw/zinc/33/51/54/682335154.db2.gz	VOKOQWALVSVTPH-GOSISDBHSA-N	1	1	357.479	2.320	20	30		FEEDMO
C#CCC[N@H+](CCOC)CC(=O)N[C@@H](c1nccs1)c1ccccc1	ZINC000852751276	682335157	/nfs/dbraw/zinc/33/51/57/682335157.db2.gz	VOKOQWALVSVTPH-GOSISDBHSA-N	1	1	357.479	2.320	20	30		FEEDMO
CC(C)OCC[NH+]1CCN(c2cc(Br)cnc2C#N)CC1	ZINC000853396322	682410513	/nfs/dbraw/zinc/41/05/13/682410513.db2.gz	FOYUFRSXYCOVBS-UHFFFAOYSA-N	1	1	353.264	2.263	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNc2cc(Br)cnc2C#N)C1	ZINC000791409023	682741402	/nfs/dbraw/zinc/74/14/02/682741402.db2.gz	CENLJAHBRJVDKE-CYBMUJFWSA-N	1	1	353.264	2.484	20	30		FEEDMO
C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C#Cc2cccs2)C1	ZINC000856327181	682765888	/nfs/dbraw/zinc/76/58/88/682765888.db2.gz	FNELLMUQOYTJIU-GOSISDBHSA-N	1	1	353.491	2.032	20	30		FEEDMO
C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C#Cc2cccs2)C1	ZINC000856327181	682765892	/nfs/dbraw/zinc/76/58/92/682765892.db2.gz	FNELLMUQOYTJIU-GOSISDBHSA-N	1	1	353.491	2.032	20	30		FEEDMO
C[C@@H](c1ccsc1)[NH+]1CCN(Cn2nc(CC#N)n(C)c2=S)CC1	ZINC000794640439	682986241	/nfs/dbraw/zinc/98/62/41/682986241.db2.gz	QRJBVEFPYZONKT-ZDUSSCGKSA-N	1	1	362.528	2.415	20	30		FEEDMO
C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CC(C)(C)OC1=O	ZINC000795674642	683079258	/nfs/dbraw/zinc/07/92/58/683079258.db2.gz	DLFWGRSKVLXZPF-CYBMUJFWSA-N	1	1	361.467	2.463	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CC(C)(C)OC1=O	ZINC000795674642	683079263	/nfs/dbraw/zinc/07/92/63/683079263.db2.gz	DLFWGRSKVLXZPF-CYBMUJFWSA-N	1	1	361.467	2.463	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O	ZINC000796513590	683166910	/nfs/dbraw/zinc/16/69/10/683166910.db2.gz	PNJQHDAXHWAVPI-AWEZNQCLSA-N	1	1	370.902	2.256	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+](CCO)Cc1cccnc1Cl	ZINC000796560934	683171634	/nfs/dbraw/zinc/17/16/34/683171634.db2.gz	FOLXEHDKRITFML-UHFFFAOYSA-N	1	1	364.858	2.491	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+](CCO)Cc1cccnc1Cl	ZINC000796560934	683171638	/nfs/dbraw/zinc/17/16/38/683171638.db2.gz	FOLXEHDKRITFML-UHFFFAOYSA-N	1	1	364.858	2.491	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000860095765	683201384	/nfs/dbraw/zinc/20/13/84/683201384.db2.gz	FJBWYILLBWSPDW-HBUWYVDXSA-N	1	1	354.495	2.274	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000860095765	683201388	/nfs/dbraw/zinc/20/13/88/683201388.db2.gz	FJBWYILLBWSPDW-HBUWYVDXSA-N	1	1	354.495	2.274	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](CCC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000799119392	683423322	/nfs/dbraw/zinc/42/33/22/683423322.db2.gz	CVHWFSXXOSAHSW-JKSUJKDBSA-N	1	1	351.491	2.495	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@H](O)c2cccc(Br)c2)C1=O	ZINC000799175991	683433655	/nfs/dbraw/zinc/43/36/55/683433655.db2.gz	AAJRYHLLQNRVDD-GJZGRUSLSA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc(Br)c2)C1=O	ZINC000799175991	683433658	/nfs/dbraw/zinc/43/36/58/683433658.db2.gz	AAJRYHLLQNRVDD-GJZGRUSLSA-N	1	1	353.260	2.201	20	30		FEEDMO
COCO[C@H](C)c1cc(F)c(C=NNC2=[NH+]CCN2)cc1Br	ZINC000863120143	683678260	/nfs/dbraw/zinc/67/82/60/683678260.db2.gz	LEHVWFZJMXFCBP-SECBINFHSA-N	1	1	373.226	2.152	20	30		FEEDMO
O=S1(=O)CCC[C@H](NN=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1	ZINC000863134225	683680537	/nfs/dbraw/zinc/68/05/37/683680537.db2.gz	ORASUNSVWKBSRV-YTQUADARSA-N	1	1	361.511	2.336	20	30		FEEDMO
C=C(Cl)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)C1=O	ZINC000865313061	683966747	/nfs/dbraw/zinc/96/67/47/683966747.db2.gz	WIMACPCIASQBHB-HOCLYGCPSA-N	1	1	363.845	2.333	20	30		FEEDMO
C=C(Cl)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C1=O	ZINC000865313061	683966751	/nfs/dbraw/zinc/96/67/51/683966751.db2.gz	WIMACPCIASQBHB-HOCLYGCPSA-N	1	1	363.845	2.333	20	30		FEEDMO
N#CCc1ccsc1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000866215827	684083579	/nfs/dbraw/zinc/08/35/79/684083579.db2.gz	LXJVXYRDQRGVFQ-IBGZPJMESA-N	1	1	355.463	2.181	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)CCCCCNC(=O)OC(C)(C)C)C1	ZINC000923563271	684306371	/nfs/dbraw/zinc/30/63/71/684306371.db2.gz	DFSQKWQFXYCVNU-MRXNPFEDSA-N	1	1	351.491	2.285	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCCCNC(=O)OC(C)(C)C)C1	ZINC000923563271	684306375	/nfs/dbraw/zinc/30/63/75/684306375.db2.gz	DFSQKWQFXYCVNU-MRXNPFEDSA-N	1	1	351.491	2.285	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2cc(C)c(C(F)(F)F)n2)C1	ZINC000923596840	684311320	/nfs/dbraw/zinc/31/13/20/684311320.db2.gz	ALOPTCVDBJQUDC-CYBMUJFWSA-N	1	1	356.392	2.159	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2cc(C)c(C(F)(F)F)n2)C1	ZINC000923596840	684311324	/nfs/dbraw/zinc/31/13/24/684311324.db2.gz	ALOPTCVDBJQUDC-CYBMUJFWSA-N	1	1	356.392	2.159	20	30		FEEDMO
C#CC[N@H+](CCO[C@@H]1CCOC1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000931740446	684340781	/nfs/dbraw/zinc/34/07/81/684340781.db2.gz	DDSVAKPQSNSZHT-QGZVFWFLSA-N	1	1	352.475	2.127	20	30		FEEDMO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1nnc(CC(F)(F)F)s1	ZINC000867928118	684427225	/nfs/dbraw/zinc/42/72/25/684427225.db2.gz	WEDUNQUTIMBHIL-GFCCVEGCSA-N	1	1	367.356	2.340	20	30		FEEDMO
C=CC(C)(C)CCCNC(=O)NC1CC[NH+](CC(=O)NCCC)CC1	ZINC000872825953	685021126	/nfs/dbraw/zinc/02/11/26/685021126.db2.gz	PPXOXFJFFFRAAF-UHFFFAOYSA-N	1	1	352.523	2.269	20	30		FEEDMO
COCC[N@@H+](C)CCNC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F	ZINC000875216060	685756729	/nfs/dbraw/zinc/75/67/29/685756729.db2.gz	OTQFQHSGTKAWAR-CQSZACIVSA-N	1	1	358.364	2.039	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@H](CCO)c1ccc(Cl)c(F)c1	ZINC000875623973	686051238	/nfs/dbraw/zinc/05/12/38/686051238.db2.gz	YTMNCFREHKZIMC-MRXNPFEDSA-N	1	1	355.841	2.157	20	30		FEEDMO
C#CCCN1CC[NH+](C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1	ZINC000878313451	686563429	/nfs/dbraw/zinc/56/34/29/686563429.db2.gz	GUMMOQZGVVEHQU-MRXNPFEDSA-N	1	1	357.281	2.374	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC([C@@H](F)C(N)=O)CC1	ZINC000879043546	686723259	/nfs/dbraw/zinc/72/32/59/686723259.db2.gz	DWUZSMWSCKXKRH-XJKSGUPXSA-N	1	1	367.490	2.187	20	30		FEEDMO
COC(=O)CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000880040306	686981917	/nfs/dbraw/zinc/98/19/17/686981917.db2.gz	GQJVFQXXINOXTM-UKRRQHHQSA-N	1	1	361.467	2.390	20	30		FEEDMO
COC(=O)CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000880040306	686981922	/nfs/dbraw/zinc/98/19/22/686981922.db2.gz	GQJVFQXXINOXTM-UKRRQHHQSA-N	1	1	361.467	2.390	20	30		FEEDMO
CC1(C)[C@@H](NC(=O)CSc2ccc(C#N)cc2)C[C@@H]1[NH+]1CCOCC1	ZINC000880502441	687055052	/nfs/dbraw/zinc/05/50/52/687055052.db2.gz	QXTCMCSQZXXIDU-IRXDYDNUSA-N	1	1	359.495	2.266	20	30		FEEDMO
N#Cc1cc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c(F)cc1F	ZINC000880716031	687077806	/nfs/dbraw/zinc/07/78/06/687077806.db2.gz	MKINXEXLJTUHGI-CYBMUJFWSA-N	1	1	352.385	2.195	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNc2ncc(C#N)cc2Br)CC1	ZINC000881822047	687226240	/nfs/dbraw/zinc/22/62/40/687226240.db2.gz	WYICBMHPTJDQLK-CYBMUJFWSA-N	1	1	366.307	2.401	20	30		FEEDMO
C=CCCc1ccc(S(=O)(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1	ZINC000881921124	687261164	/nfs/dbraw/zinc/26/11/64/687261164.db2.gz	XBSOGJVCGLJJPG-SFHVURJKSA-N	1	1	366.527	2.320	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(C(=O)Nc3ccc(Br)c(C#N)n3)CC[C@@H]21	ZINC000883121963	687572374	/nfs/dbraw/zinc/57/23/74/687572374.db2.gz	WMQTYZVMJWCXGC-GWCFXTLKSA-N	1	1	364.247	2.274	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)NCc2nc3cc(Cl)ccc3n2C)C1	ZINC000884280073	687836275	/nfs/dbraw/zinc/83/62/75/687836275.db2.gz	AOZDRGNDALXBPJ-AWEZNQCLSA-N	1	1	359.861	2.124	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2nc3cc(Cl)ccc3n2C)C1	ZINC000884280073	687836282	/nfs/dbraw/zinc/83/62/82/687836282.db2.gz	AOZDRGNDALXBPJ-AWEZNQCLSA-N	1	1	359.861	2.124	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(CCC#N)cc2)C1	ZINC000885037961	688003001	/nfs/dbraw/zinc/00/30/01/688003001.db2.gz	CIVDSYPDXBDIJH-SFHVURJKSA-N	1	1	361.511	2.495	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)cc1	ZINC000885863699	688172467	/nfs/dbraw/zinc/17/24/67/688172467.db2.gz	UKGFUZGHMMMHGI-GOSISDBHSA-N	1	1	359.495	2.161	20	30		FEEDMO
COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1	ZINC000886305804	688228803	/nfs/dbraw/zinc/22/88/03/688228803.db2.gz	QUUZHFOQVUPCIN-HNAYVOBHSA-N	1	1	352.475	2.111	20	30		FEEDMO
C#CC[C@H]1CC[N@H+](Cc2cc(OCC)n3nc(C(F)(F)F)nc3n2)C1	ZINC000886361581	688235509	/nfs/dbraw/zinc/23/55/09/688235509.db2.gz	NHQPQJOCLKRQFI-NSHDSACASA-N	1	1	353.348	2.387	20	30		FEEDMO
C=CCC1(O)CC[NH+](CCCS(=O)(=O)c2ccccc2OC)CC1	ZINC000886776909	688308723	/nfs/dbraw/zinc/30/87/23/688308723.db2.gz	SPWXODFKMSOFMG-UHFFFAOYSA-N	1	1	353.484	2.262	20	30		FEEDMO
CC(=O)N1CCc2c(C#N)c(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)sc2C1	ZINC000893052392	689288208	/nfs/dbraw/zinc/28/82/08/689288208.db2.gz	UUAYCRLSEMNKMY-AAEUAGOBSA-N	1	1	360.483	2.193	20	30		FEEDMO
CCc1c[nH]c2nc[nH+]c(N3CCN(c4snc(C)c4C#N)CC3)c12	ZINC000893913067	689427822	/nfs/dbraw/zinc/42/78/22/689427822.db2.gz	LYRHFRSBGCBPDW-UHFFFAOYSA-N	1	1	353.455	2.484	20	30		FEEDMO
N#Cc1cccc(Br)c1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO	ZINC000897220111	689990070	/nfs/dbraw/zinc/99/00/70/689990070.db2.gz	SNYHYWVVYBKBBJ-HUUCEWRRSA-N	1	1	350.260	2.356	20	30		FEEDMO
N#Cc1cccc(Br)c1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO	ZINC000897220111	689990072	/nfs/dbraw/zinc/99/00/72/689990072.db2.gz	SNYHYWVVYBKBBJ-HUUCEWRRSA-N	1	1	350.260	2.356	20	30		FEEDMO
N#C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1c(Cl)cccc1Cl	ZINC000900609328	690538306	/nfs/dbraw/zinc/53/83/06/690538306.db2.gz	XWQPWNGDKGCSFK-FZMZJTMJSA-N	1	1	354.237	2.395	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906863356	691330516	/nfs/dbraw/zinc/33/05/16/691330516.db2.gz	HBCQIFGQGHOUEB-PBHICJAKSA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906863356	691330520	/nfs/dbraw/zinc/33/05/20/691330520.db2.gz	HBCQIFGQGHOUEB-PBHICJAKSA-N	1	1	356.451	2.067	20	30		FEEDMO
CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC000906988995	691362761	/nfs/dbraw/zinc/36/27/61/691362761.db2.gz	RSPRUDFWKFVRKV-GFCCVEGCSA-N	1	1	372.288	2.035	20	30		FEEDMO
CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1	ZINC000906988995	691362765	/nfs/dbraw/zinc/36/27/65/691362765.db2.gz	RSPRUDFWKFVRKV-GFCCVEGCSA-N	1	1	372.288	2.035	20	30		FEEDMO
CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1c(C#N)sc2ccccc21	ZINC000907252245	691432728	/nfs/dbraw/zinc/43/27/28/691432728.db2.gz	AOPORVSMDJYLCN-AWEZNQCLSA-N	1	1	361.492	2.488	20	30		FEEDMO
C[N@H+]1CCC[C@](O)(CC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000908005727	691596593	/nfs/dbraw/zinc/59/65/93/691596593.db2.gz	IWYIBRHDJBJEJE-HNNXBMFYSA-N	1	1	357.332	2.242	20	30		FEEDMO
N#Cc1cc2c(nc1N1CC[C@H]3[C@@H]1CC[N@H+]3Cc1cccnc1)CCOC2	ZINC001164735887	720463885	/nfs/dbraw/zinc/46/38/85/720463885.db2.gz	ZAAMEJDARPQYKF-PMACEKPBSA-N	1	1	361.449	2.274	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(C#N)ccc1[N+](=O)[O-])[C@@H]2C	ZINC001164856130	720958030	/nfs/dbraw/zinc/95/80/30/720958030.db2.gz	ASSFXOTYKVCCOU-CYBMUJFWSA-N	1	1	369.429	2.479	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(CC#N)cc4Cl)C[C@@H]3C2)cn1	ZINC001164774498	721227587	/nfs/dbraw/zinc/22/75/87/721227587.db2.gz	ZYBGWQDHYJPQCH-IRXDYDNUSA-N	1	1	370.888	2.493	20	30		FEEDMO
N#Cc1cc2c(nc1N1C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C1)CCC2	ZINC001164791269	721426357	/nfs/dbraw/zinc/42/63/57/721426357.db2.gz	ZXXFQCNNONSYKT-IYBDPMFKSA-N	1	1	351.479	2.467	20	30		FEEDMO
N#Cc1cc2c(nc1N1C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C1)CCC2	ZINC001164791269	721426360	/nfs/dbraw/zinc/42/63/60/721426360.db2.gz	ZXXFQCNNONSYKT-IYBDPMFKSA-N	1	1	351.479	2.467	20	30		FEEDMO
N#Cc1ncc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164900334	721520168	/nfs/dbraw/zinc/52/01/68/721520168.db2.gz	QJJZKDHZJBRTCD-HIFRSBDPSA-N	1	1	373.819	2.483	20	30		FEEDMO
N#Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)c1	ZINC001164898173	721523943	/nfs/dbraw/zinc/52/39/43/721523943.db2.gz	IDBYGMBIOWKUBR-MJGOQNOKSA-N	1	1	363.396	2.306	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(CC#N)ccn2)[C@H]2CCCO[C@H]12	ZINC001164805736	721567964	/nfs/dbraw/zinc/56/79/64/721567964.db2.gz	OPKPBGJNHKHWAD-ZVDOUQERSA-N	1	1	363.465	2.411	20	30		FEEDMO
Cc1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N	ZINC001164980683	722103626	/nfs/dbraw/zinc/10/36/26/722103626.db2.gz	JYCGMPJYFUEBHE-AZUAARDMSA-N	1	1	363.465	2.384	20	30		FEEDMO
N#CCc1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1	ZINC001164978007	722131457	/nfs/dbraw/zinc/13/14/57/722131457.db2.gz	JDCCMRNTNVGVQO-VQTJNVASSA-N	1	1	363.465	2.270	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000498759724	885703619	/nfs/dbraw/zinc/70/36/19/885703619.db2.gz	LNCPNSVCUGNYKI-ZDUSSCGKSA-N	1	1	356.405	2.441	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CNc1ccc(C#N)cn1	ZINC000497736587	887694193	/nfs/dbraw/zinc/69/41/93/887694193.db2.gz	CPQQZKCRQJUGJW-KRWDZBQOSA-N	1	1	363.465	2.488	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1c(C)ccc(Br)c1OC	ZINC000819545078	675297691	/nfs/dbraw/zinc/29/76/91/675297691.db2.gz	WWQCCHFRBXOTMU-UHFFFAOYSA-N	1	1	353.260	2.451	20	30		FEEDMO
N#CCCN(Cc1ccco1)C(=O)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000023290752	539711643	/nfs/dbraw/zinc/71/16/43/539711643.db2.gz	YNJAMLLWXBXRFL-UHFFFAOYSA-N	1	1	366.465	2.340	20	30		FEEDMO
CN(CCC#N)S(=O)(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000027959163	539821763	/nfs/dbraw/zinc/82/17/63/539821763.db2.gz	IQEJJVUXRYHBTO-UHFFFAOYSA-N	1	1	372.494	2.048	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)Cc1ccccc1	ZINC000029693510	539861474	/nfs/dbraw/zinc/86/14/74/539861474.db2.gz	AZDHEVKDPYDGQP-UHFFFAOYSA-N	1	1	367.453	2.025	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nc(N)cc(N)[nH+]1	ZINC000031821234	539921664	/nfs/dbraw/zinc/92/16/64/539921664.db2.gz	YZCLGWISSFZLPO-NSHDSACASA-N	1	1	372.454	2.077	20	30		FEEDMO
N#Cc1ccc(NCC[N@H+]2CC=CCC2)nc1NCCN1CC=CCC1	ZINC000530378215	539956850	/nfs/dbraw/zinc/95/68/50/539956850.db2.gz	BMAJVZPIVIVOEJ-UHFFFAOYSA-N	1	1	352.486	2.301	20	30		FEEDMO
N#Cc1ccc(NCC[N@@H+]2CC=CCC2)nc1NCCN1CC=CCC1	ZINC000530378215	539956856	/nfs/dbraw/zinc/95/68/56/539956856.db2.gz	BMAJVZPIVIVOEJ-UHFFFAOYSA-N	1	1	352.486	2.301	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C	ZINC000043085083	540087847	/nfs/dbraw/zinc/08/78/47/540087847.db2.gz	XFSYSHBQJRWZHY-UONOGXRCSA-N	1	1	358.486	2.175	20	30		FEEDMO
Cc1nnc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1	ZINC000043412812	540099811	/nfs/dbraw/zinc/09/98/11/540099811.db2.gz	UTTDXNLAXPMYDN-UHFFFAOYSA-N	1	1	356.455	2.458	20	30		FEEDMO
Cc1nnc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1	ZINC000043412812	540099814	/nfs/dbraw/zinc/09/98/14/540099814.db2.gz	UTTDXNLAXPMYDN-UHFFFAOYSA-N	1	1	356.455	2.458	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000046085955	540241716	/nfs/dbraw/zinc/24/17/16/540241716.db2.gz	GBYFXFAWMCILMB-HXUWFJFHSA-N	1	1	353.470	2.125	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1	ZINC000046085955	540241718	/nfs/dbraw/zinc/24/17/18/540241718.db2.gz	GBYFXFAWMCILMB-HXUWFJFHSA-N	1	1	353.470	2.125	20	30		FEEDMO
C[C@H](Cn1cccn1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000046465563	540258488	/nfs/dbraw/zinc/25/84/88/540258488.db2.gz	PQNZOFRKRPAUFY-QGZVFWFLSA-N	1	1	366.469	2.061	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000046997743	540283340	/nfs/dbraw/zinc/28/33/40/540283340.db2.gz	MMFVHQMEAIRVPP-IAGOWNOFSA-N	1	1	357.454	2.469	20	30		FEEDMO
Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(C)c1	ZINC000047859873	540331278	/nfs/dbraw/zinc/33/12/78/540331278.db2.gz	GYXZFUDXTSBSPO-IBGZPJMESA-N	1	1	366.465	2.132	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(CC(N)=O)CC2)c1	ZINC000048025391	540340902	/nfs/dbraw/zinc/34/09/02/540340902.db2.gz	ROWWVWDKFIZUKH-UHFFFAOYSA-N	1	1	356.470	2.138	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)c1C	ZINC000051230316	540427334	/nfs/dbraw/zinc/42/73/34/540427334.db2.gz	WCNWDYKHYXMTOG-UHFFFAOYSA-N	1	1	370.497	2.350	20	30		FEEDMO
CCCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000051801449	540444914	/nfs/dbraw/zinc/44/49/14/540444914.db2.gz	KUPCLHLFNZRQGH-OXQOHEQNSA-N	1	1	364.534	2.448	20	30		FEEDMO
CC(=O)NCC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1	ZINC000052849199	540494454	/nfs/dbraw/zinc/49/44/54/540494454.db2.gz	QIQKKQWRFLPXET-OAHLLOKOSA-N	1	1	374.460	2.309	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1	ZINC000054301797	540581546	/nfs/dbraw/zinc/58/15/46/540581546.db2.gz	FLEHOMCHAPBBSE-OAHLLOKOSA-N	1	1	357.454	2.290	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000054874277	540615672	/nfs/dbraw/zinc/61/56/72/540615672.db2.gz	CEFHFSPTQSCPAM-DOTOQJQBSA-N	1	1	370.453	2.027	20	30		FEEDMO
C=C(C)CN(CC)C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000055172752	540632707	/nfs/dbraw/zinc/63/27/07/540632707.db2.gz	CDGIAYWIGAVGCW-UHFFFAOYSA-N	1	1	354.498	2.491	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000055172752	540632710	/nfs/dbraw/zinc/63/27/10/540632710.db2.gz	CDGIAYWIGAVGCW-UHFFFAOYSA-N	1	1	354.498	2.491	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000055172752	540632714	/nfs/dbraw/zinc/63/27/14/540632714.db2.gz	CDGIAYWIGAVGCW-UHFFFAOYSA-N	1	1	354.498	2.491	20	30		FEEDMO
C[C@H]1CCCCN1C(=O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000055171785	540633087	/nfs/dbraw/zinc/63/30/87/540633087.db2.gz	NLFQJCHANMWGRQ-SFHVURJKSA-N	1	1	354.498	2.467	20	30		FEEDMO
C[C@H]1CCCCN1C(=O)C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000055171785	540633090	/nfs/dbraw/zinc/63/30/90/540633090.db2.gz	NLFQJCHANMWGRQ-SFHVURJKSA-N	1	1	354.498	2.467	20	30		FEEDMO
C[C@H]1CCCCN1C(=O)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000055171785	540633093	/nfs/dbraw/zinc/63/30/93/540633093.db2.gz	NLFQJCHANMWGRQ-SFHVURJKSA-N	1	1	354.498	2.467	20	30		FEEDMO
CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCS(=O)(=O)C1	ZINC000060379749	541108577	/nfs/dbraw/zinc/10/85/77/541108577.db2.gz	CMNQCADXGKFWNX-AWEZNQCLSA-N	1	1	369.874	2.049	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCS(=O)(=O)C1	ZINC000060379749	541108581	/nfs/dbraw/zinc/10/85/81/541108581.db2.gz	CMNQCADXGKFWNX-AWEZNQCLSA-N	1	1	369.874	2.049	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000540985951	541131544	/nfs/dbraw/zinc/13/15/44/541131544.db2.gz	WPMRYOGABFKYSV-CYBMUJFWSA-N	1	1	356.405	2.346	20	30		FEEDMO
CCCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(N)=O	ZINC000063500195	541171530	/nfs/dbraw/zinc/17/15/30/541171530.db2.gz	CUWKQJQLVGPNAW-UHFFFAOYSA-N	1	1	362.499	2.415	20	30		FEEDMO
Cc1ccccc1OC[C@H](O)C[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064634546	541213836	/nfs/dbraw/zinc/21/38/36/541213836.db2.gz	GXWXIHIYVZUWRL-LJQANCHMSA-N	1	1	366.465	2.214	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1	ZINC000064442882	541206218	/nfs/dbraw/zinc/20/62/18/541206218.db2.gz	WKZDUYXIFUPNNP-UHFFFAOYSA-N	1	1	361.873	2.018	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1	ZINC000066621363	541349082	/nfs/dbraw/zinc/34/90/82/541349082.db2.gz	FOGYBPPRWQVOCN-QGZVFWFLSA-N	1	1	368.481	2.314	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1	ZINC000066638915	541352323	/nfs/dbraw/zinc/35/23/23/541352323.db2.gz	VLURTIVPPCQVMN-QGZVFWFLSA-N	1	1	356.470	2.171	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000066833205	541377647	/nfs/dbraw/zinc/37/76/47/541377647.db2.gz	CXPSPVGMPAHOQZ-HOTGVXAUSA-N	1	1	373.453	2.215	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000066833205	541377650	/nfs/dbraw/zinc/37/76/50/541377650.db2.gz	CXPSPVGMPAHOQZ-HOTGVXAUSA-N	1	1	373.453	2.215	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000067413723	541460065	/nfs/dbraw/zinc/46/00/65/541460065.db2.gz	KDHOFJMZVIQQJW-NVXWUHKLSA-N	1	1	374.460	2.309	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1	ZINC000067413723	541460068	/nfs/dbraw/zinc/46/00/68/541460068.db2.gz	KDHOFJMZVIQQJW-NVXWUHKLSA-N	1	1	374.460	2.309	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1	ZINC000069553918	541696554	/nfs/dbraw/zinc/69/65/54/541696554.db2.gz	ABJUSRPASQDTEE-QGZVFWFLSA-N	1	1	354.454	2.410	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1	ZINC000069553667	541696741	/nfs/dbraw/zinc/69/67/41/541696741.db2.gz	HEUKEFHEVKIULT-QGZVFWFLSA-N	1	1	354.454	2.410	20	30		FEEDMO
CCCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000072629345	541841104	/nfs/dbraw/zinc/84/11/04/541841104.db2.gz	GOSRZPUGNDHVID-QGZVFWFLSA-N	1	1	363.483	2.176	20	30		FEEDMO
COCCOC[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000072796417	541865617	/nfs/dbraw/zinc/86/56/17/541865617.db2.gz	NZPQFESTGGLEMK-ZDUSSCGKSA-N	1	1	351.834	2.135	20	30		FEEDMO
COCCOC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000072796417	541865623	/nfs/dbraw/zinc/86/56/23/541865623.db2.gz	NZPQFESTGGLEMK-ZDUSSCGKSA-N	1	1	351.834	2.135	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000073615835	541974216	/nfs/dbraw/zinc/97/42/16/541974216.db2.gz	KCNMTOIAGBFAIT-CRAIPNDOSA-N	1	1	357.454	2.180	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)C1	ZINC000073615835	541974221	/nfs/dbraw/zinc/97/42/21/541974221.db2.gz	KCNMTOIAGBFAIT-CRAIPNDOSA-N	1	1	357.454	2.180	20	30		FEEDMO
N#Cc1ccc(OCCNC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000074736529	542116147	/nfs/dbraw/zinc/11/61/47/542116147.db2.gz	BLXGWVKHIKRRGY-UHFFFAOYSA-N	1	1	364.449	2.464	20	30		FEEDMO
C[C@H](NC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1cccc(C#N)c1	ZINC000074917966	542136515	/nfs/dbraw/zinc/13/65/15/542136515.db2.gz	GARCSCLKRQCRTP-LPHOPBHVSA-N	1	1	355.486	2.041	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000076110309	542233907	/nfs/dbraw/zinc/23/39/07/542233907.db2.gz	LFDHVNZCPWZYJG-PZJWPPBQSA-N	1	1	356.514	2.495	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000077202540	542354174	/nfs/dbraw/zinc/35/41/74/542354174.db2.gz	XZCFKEVKSCCYJZ-INIZCTEOSA-N	1	1	373.501	2.350	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000077286420	542361366	/nfs/dbraw/zinc/36/13/66/542361366.db2.gz	CDNCWOKWIKKVIW-KRWDZBQOSA-N	1	1	357.454	2.423	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)Cc1ccccc1	ZINC000077538396	542394225	/nfs/dbraw/zinc/39/42/25/542394225.db2.gz	CXKQEXWVWFZBTB-UHFFFAOYSA-N	1	1	368.412	2.274	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[NH+]2CCC(C(N)=O)CC2)ccc1Cl	ZINC000078272349	542451556	/nfs/dbraw/zinc/45/15/56/542451556.db2.gz	JTGRGBJMYRXLQJ-UHFFFAOYSA-N	1	1	362.861	2.092	20	30		FEEDMO
CO[C@H](C)c1nc(CN2CCC[N@@H+](CCO[C@H](C)C#N)CC2)cs1	ZINC000801926685	674155390	/nfs/dbraw/zinc/15/53/90/674155390.db2.gz	UYRJSOWSEOWBEX-HUUCEWRRSA-N	1	1	352.504	2.287	20	30		FEEDMO
CC(=O)NCC[N@@H+](CCO[C@H](C)C#N)Cc1ccc(Br)s1	ZINC000801954291	674156701	/nfs/dbraw/zinc/15/67/01/674156701.db2.gz	DVILFTWNEZURSQ-LLVKDONJSA-N	1	1	374.304	2.377	20	30		FEEDMO
CC(=O)NCC[N@H+](CCO[C@H](C)C#N)Cc1ccc(Br)s1	ZINC000801954291	674156702	/nfs/dbraw/zinc/15/67/02/674156702.db2.gz	DVILFTWNEZURSQ-LLVKDONJSA-N	1	1	374.304	2.377	20	30		FEEDMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C#Cc3ccccc3)cc2)C1	ZINC000080612436	542598028	/nfs/dbraw/zinc/59/80/28/542598028.db2.gz	CYTXXUCLENMEAZ-LJQANCHMSA-N	1	1	361.445	2.374	20	30		FEEDMO
N#CCSCCC[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1	ZINC000080627491	542598294	/nfs/dbraw/zinc/59/82/94/542598294.db2.gz	YLORAMJXLHGBRA-UHFFFAOYSA-N	1	1	353.513	2.030	20	30		FEEDMO
Cc1cccc(NCCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)[nH+]1	ZINC000080631541	542599092	/nfs/dbraw/zinc/59/90/92/542599092.db2.gz	QZMFYJUUKRDMST-UHFFFAOYSA-N	1	1	350.831	2.306	20	30		FEEDMO
N#Cc1ccc(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)cc1	ZINC000089682000	542769262	/nfs/dbraw/zinc/76/92/62/542769262.db2.gz	ATBROEMLPOMBQF-MOPGFXCFSA-N	1	1	350.422	2.315	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)CCCc2ccccc2)CC1	ZINC000091538798	542811510	/nfs/dbraw/zinc/81/15/10/542811510.db2.gz	HJMPTXDTTRBPLY-HXUWFJFHSA-N	1	1	356.514	2.243	20	30		FEEDMO
CCc1ccc(C[N@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1	ZINC000091535158	542811646	/nfs/dbraw/zinc/81/16/46/542811646.db2.gz	KPYOSEKQUCTLSN-HXUWFJFHSA-N	1	1	356.514	2.373	20	30		FEEDMO
CCc1ccc(C[N@@H+](C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1	ZINC000091535158	542811649	/nfs/dbraw/zinc/81/16/49/542811649.db2.gz	KPYOSEKQUCTLSN-HXUWFJFHSA-N	1	1	356.514	2.373	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)c1	ZINC000091865417	542828947	/nfs/dbraw/zinc/82/89/47/542828947.db2.gz	VWHLJYRPQIAFBJ-LJQANCHMSA-N	1	1	362.433	2.347	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)c1	ZINC000091865417	542828951	/nfs/dbraw/zinc/82/89/51/542828951.db2.gz	VWHLJYRPQIAFBJ-LJQANCHMSA-N	1	1	362.433	2.347	20	30		FEEDMO
COc1ccc(C[N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1C	ZINC000092618520	542875544	/nfs/dbraw/zinc/87/55/44/542875544.db2.gz	GQODDEUKDITIQD-IBGZPJMESA-N	1	1	372.513	2.128	20	30		FEEDMO
COc1ccc(C[N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1C	ZINC000092618520	542875548	/nfs/dbraw/zinc/87/55/48/542875548.db2.gz	GQODDEUKDITIQD-IBGZPJMESA-N	1	1	372.513	2.128	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](Cc2cccc(F)c2)C2CC2)CC1	ZINC000092617611	542875843	/nfs/dbraw/zinc/87/58/43/542875843.db2.gz	XRVUPABPNVYGIH-FQEVSTJZSA-N	1	1	372.488	2.482	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](Cc2cccc(F)c2)C2CC2)CC1	ZINC000092617611	542875845	/nfs/dbraw/zinc/87/58/45/542875845.db2.gz	XRVUPABPNVYGIH-FQEVSTJZSA-N	1	1	372.488	2.482	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+](C)Cc2cccc(Cl)c2)CC1	ZINC000092617223	542875860	/nfs/dbraw/zinc/87/58/60/542875860.db2.gz	UFFXVVULTMSIMB-SFHVURJKSA-N	1	1	362.905	2.464	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+](C)Cc2cccc(Cl)c2)CC1	ZINC000092617223	542875862	/nfs/dbraw/zinc/87/58/62/542875862.db2.gz	UFFXVVULTMSIMB-SFHVURJKSA-N	1	1	362.905	2.464	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cnc3ccc(C#N)cn23)CC1	ZINC000092665066	542879386	/nfs/dbraw/zinc/87/93/86/542879386.db2.gz	ZBYFCKQZPBBGAP-HDICACEKSA-N	1	1	366.513	2.196	20	30		FEEDMO
Cc1nc(CN2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)no1	ZINC000093274283	542923077	/nfs/dbraw/zinc/92/30/77/542923077.db2.gz	BCNZFBWKZZNKGR-UHFFFAOYSA-N	1	1	354.458	2.046	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1	ZINC000102521161	543071765	/nfs/dbraw/zinc/07/17/65/543071765.db2.gz	HNJSXIXMKIALEY-AWEZNQCLSA-N	1	1	368.441	2.072	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(N2CCCC2=O)CC1	ZINC000104728213	543140525	/nfs/dbraw/zinc/14/05/25/543140525.db2.gz	FSJRYHYNRKXGQU-KRWDZBQOSA-N	1	1	368.481	2.409	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c(C(F)(F)F)c1	ZINC000108403989	543289055	/nfs/dbraw/zinc/28/90/55/543289055.db2.gz	MLFGPYOSKQIPOU-CYBMUJFWSA-N	1	1	373.400	2.340	20	30		FEEDMO
CCC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1	ZINC000108611311	543297914	/nfs/dbraw/zinc/29/79/14/543297914.db2.gz	YMPYPIQIJHAFAX-HNNXBMFYSA-N	1	1	374.510	2.431	20	30		FEEDMO
C=C(C)CN(CC)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1	ZINC000108579044	543295353	/nfs/dbraw/zinc/29/53/53/543295353.db2.gz	QJSYZYVXRZILGH-IBGZPJMESA-N	1	1	372.513	2.492	20	30		FEEDMO
N#Cc1ccccc1N1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1	ZINC000109168143	543316908	/nfs/dbraw/zinc/31/69/08/543316908.db2.gz	IRQJLAPVQBCLAK-FUHWJXTLSA-N	1	1	367.497	2.311	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)C3(C#N)CCOCC3)CC2)cs1	ZINC000111042377	543379571	/nfs/dbraw/zinc/37/95/71/543379571.db2.gz	HJWRVSFUUAUFPM-UHFFFAOYSA-N	1	1	362.499	2.100	20	30		FEEDMO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1	ZINC000112512219	543450078	/nfs/dbraw/zinc/45/00/78/543450078.db2.gz	YKADQAOXVLWKHK-KRWDZBQOSA-N	1	1	370.497	2.075	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)ccc1OCC#N	ZINC000113226726	543477759	/nfs/dbraw/zinc/47/77/59/543477759.db2.gz	RCMMYBSEVCJSMJ-UTDDRVLSSA-N	1	1	355.438	2.306	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1	ZINC000114843133	543539908	/nfs/dbraw/zinc/53/99/08/543539908.db2.gz	KUBOCVMAZMHMRA-LJQANCHMSA-N	1	1	362.433	2.278	20	30		FEEDMO
COCC[N@@H+](C)CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1	ZINC000115358067	543562257	/nfs/dbraw/zinc/56/22/57/543562257.db2.gz	YQKUMJYLIZWRFU-UHFFFAOYSA-N	1	1	367.449	2.445	20	30		FEEDMO
C=CC[C@H](C)NC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000117004008	543621028	/nfs/dbraw/zinc/62/10/28/543621028.db2.gz	GCHRNJZIWXTLIK-AWEZNQCLSA-N	1	1	360.458	2.169	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(Oc2ccc(F)cc2F)CC1	ZINC000120796016	543685198	/nfs/dbraw/zinc/68/51/98/543685198.db2.gz	JSOOIJKCKQGEGN-LBPRGKRZSA-N	1	1	367.396	2.208	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1	ZINC000121336696	543693004	/nfs/dbraw/zinc/69/30/04/543693004.db2.gz	CTTVZUSDQYHDCB-UHFFFAOYSA-N	1	1	372.469	2.002	20	30		FEEDMO
C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000121592471	543697320	/nfs/dbraw/zinc/69/73/20/543697320.db2.gz	HYIHBROARIXICK-HNNXBMFYSA-N	1	1	365.499	2.306	20	30		FEEDMO
C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000121592471	543697323	/nfs/dbraw/zinc/69/73/23/543697323.db2.gz	HYIHBROARIXICK-HNNXBMFYSA-N	1	1	365.499	2.306	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H]1n1ccnc1	ZINC000119435200	543667578	/nfs/dbraw/zinc/66/75/78/543667578.db2.gz	JOJRLTAFSKUUJK-KPFFTGBYSA-N	1	1	354.454	2.272	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1	ZINC000120240406	543677311	/nfs/dbraw/zinc/67/73/11/543677311.db2.gz	JDFLOAJXQOZRFR-QGZVFWFLSA-N	1	1	360.845	2.449	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1	ZINC000120240406	543677314	/nfs/dbraw/zinc/67/73/14/543677314.db2.gz	JDFLOAJXQOZRFR-QGZVFWFLSA-N	1	1	360.845	2.449	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)Nc3ccsc3)CC2)cc1	ZINC000124836395	543845871	/nfs/dbraw/zinc/84/58/71/543845871.db2.gz	JKBMFMYMACDZTE-UHFFFAOYSA-N	1	1	368.462	2.293	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)Nc3ccsc3)CC2)cc1	ZINC000124836395	543845874	/nfs/dbraw/zinc/84/58/74/543845874.db2.gz	JKBMFMYMACDZTE-UHFFFAOYSA-N	1	1	368.462	2.293	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125486957	543884198	/nfs/dbraw/zinc/88/41/98/543884198.db2.gz	JIZQTSTZAOIFDO-NSHDSACASA-N	1	1	360.849	2.409	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[NH+](C2CC2)CC1	ZINC000125863902	543906198	/nfs/dbraw/zinc/90/61/98/543906198.db2.gz	YXQQLDCQMCYBJM-INIZCTEOSA-N	1	1	356.470	2.110	20	30		FEEDMO
C=C[C@H](CC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1	ZINC000125575721	543889897	/nfs/dbraw/zinc/88/98/97/543889897.db2.gz	VFOQHZMTTYJBDS-MJGOQNOKSA-N	1	1	357.498	2.405	20	30		FEEDMO
C=CCn1c(SCCC[NH+]2CCN(C)CC2)nnc1-c1cccnc1	ZINC000130214571	544143214	/nfs/dbraw/zinc/14/32/14/544143214.db2.gz	IFFWBGXKEFDAFE-UHFFFAOYSA-N	1	1	358.515	2.256	20	30		FEEDMO
C=CCC[C@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1ccccc1	ZINC000131059920	544175837	/nfs/dbraw/zinc/17/58/37/544175837.db2.gz	ZQWYJSDAVAGPJW-ICSRJNTNSA-N	1	1	361.486	2.076	20	30		FEEDMO
O=C(C[N@@H+]1CCCN(CC#Cc2ccccc2Cl)CC1)N1CCCC1	ZINC000134979412	544330334	/nfs/dbraw/zinc/33/03/34/544330334.db2.gz	DALZPLDNXUNJOI-UHFFFAOYSA-N	1	1	359.901	2.322	20	30		FEEDMO
C[NH+]1CCC(CNc2nccc(C#N)c2[N+](=O)[O-])(N2CCCCC2)CC1	ZINC000150923117	544486628	/nfs/dbraw/zinc/48/66/28/544486628.db2.gz	OVBFYOMFPOBGFS-UHFFFAOYSA-N	1	1	358.446	2.224	20	30		FEEDMO
C[C@H](CNS(=O)(=O)c1cccc(Br)c1C#N)[N@@H+](C)C1CC1	ZINC000553479823	674264719	/nfs/dbraw/zinc/26/47/19/674264719.db2.gz	PDYNFNQASPKOMQ-SNVBAGLBSA-N	1	1	372.288	2.082	20	30		FEEDMO
CCCC[N@@H+](C)CCNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000553493375	674265876	/nfs/dbraw/zinc/26/58/76/674265876.db2.gz	CXHOVOARUBODIJ-UHFFFAOYSA-N	1	1	374.304	2.331	20	30		FEEDMO
Cn1cc(C[NH+]2CCN(c3ncccn3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000179871956	327662985	/nfs/dbraw/zinc/66/29/85/327662985.db2.gz	UJJNUOLTGHFJLT-UHFFFAOYSA-N	1	1	359.437	2.071	20	30		FEEDMO
CN1c2ccc(C[NH+]3CCN(c4ncccc4C#N)CC3)cc2CCC1=O	ZINC000186861365	327987036	/nfs/dbraw/zinc/98/70/36/327987036.db2.gz	HZAIULZROXZJAA-UHFFFAOYSA-N	1	1	361.449	2.184	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000187671391	328038643	/nfs/dbraw/zinc/03/86/43/328038643.db2.gz	CGAKOFKNLPUXSC-MAUKXSAKSA-N	1	1	357.454	2.353	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000187671391	328038644	/nfs/dbraw/zinc/03/86/44/328038644.db2.gz	CGAKOFKNLPUXSC-MAUKXSAKSA-N	1	1	357.454	2.353	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(C(=O)CCCCOc2cccc(C#N)c2)[C@H](C)C1	ZINC000188691177	328104535	/nfs/dbraw/zinc/10/45/35/328104535.db2.gz	ZOXGQSAYQDGSLO-IAGOWNOFSA-N	1	1	359.470	2.021	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C	ZINC000190148889	328191044	/nfs/dbraw/zinc/19/10/44/328191044.db2.gz	LWIZMXOESOBCDU-CQSZACIVSA-N	1	1	360.458	2.266	20	30		FEEDMO
Cn1cc(C[N@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)cc1C#N	ZINC000191276935	328257799	/nfs/dbraw/zinc/25/77/99/328257799.db2.gz	SNVBBSWPFJBLJY-UHFFFAOYSA-N	1	1	361.467	2.201	20	30		FEEDMO
Cn1cc(C[N@@H+](C)CCCOc2cccc(S(C)(=O)=O)c2)cc1C#N	ZINC000191276935	328257800	/nfs/dbraw/zinc/25/78/00/328257800.db2.gz	SNVBBSWPFJBLJY-UHFFFAOYSA-N	1	1	361.467	2.201	20	30		FEEDMO
Cn1cc(CNc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)cc1C#N	ZINC000191421914	328264833	/nfs/dbraw/zinc/26/48/33/328264833.db2.gz	LKOFCAACBSZPQL-KRWDZBQOSA-N	1	1	351.454	2.206	20	30		FEEDMO
CC(C)[NH+]1CCN(CCCN2CCN(c3ccccc3C#N)CC2)CC1	ZINC000191469664	328267171	/nfs/dbraw/zinc/26/71/71/328267171.db2.gz	MKUNSOLYXKUJLM-UHFFFAOYSA-N	1	1	355.530	2.096	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)c1C#N	ZINC000121720568	326361207	/nfs/dbraw/zinc/36/12/07/326361207.db2.gz	VOCFXUIGWDDSDA-OAHLLOKOSA-N	1	1	354.454	2.281	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH+]1CCN(c2cc(C)ccn2)CC1	ZINC000166361340	327081730	/nfs/dbraw/zinc/08/17/30/327081730.db2.gz	FXLXSWYOYSRSOU-UHFFFAOYSA-N	1	1	352.438	2.471	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[NH+]2CCN(CC(F)(F)C(F)F)CC2)c1	ZINC000172281257	327192502	/nfs/dbraw/zinc/19/25/02/327192502.db2.gz	NVLWYLNNPCJFLG-UHFFFAOYSA-N	1	1	372.366	2.405	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@@H](CO)C2)c1C#N	ZINC000174704950	327344566	/nfs/dbraw/zinc/34/45/66/327344566.db2.gz	VKWYDXHXLIIMFV-MRXNPFEDSA-N	1	1	352.438	2.219	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@@H](CO)C2)c1C#N	ZINC000174704950	327344568	/nfs/dbraw/zinc/34/45/68/327344568.db2.gz	VKWYDXHXLIIMFV-MRXNPFEDSA-N	1	1	352.438	2.219	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2CC[C@H](CO)C2)c1C#N	ZINC000174707565	327344728	/nfs/dbraw/zinc/34/47/28/327344728.db2.gz	CUKXJVFUWPHIFE-HNNXBMFYSA-N	1	1	370.428	2.358	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2CC[C@H](CO)C2)c1C#N	ZINC000174707565	327344729	/nfs/dbraw/zinc/34/47/29/327344729.db2.gz	CUKXJVFUWPHIFE-HNNXBMFYSA-N	1	1	370.428	2.358	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@](O)(C(F)(F)F)C2)sc2c1CCC2	ZINC000174747609	327348042	/nfs/dbraw/zinc/34/80/42/327348042.db2.gz	LZLZVGGTFLMYNU-OAHLLOKOSA-N	1	1	373.400	2.436	20	30		FEEDMO
N#Cc1ccc(OCC[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1	ZINC000175071558	327372301	/nfs/dbraw/zinc/37/23/01/327372301.db2.gz	PRWCFRXCAKHJRX-UHFFFAOYSA-N	1	1	361.396	2.346	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](CC(N)=O)C2)sc2c1CCCC2	ZINC000175254294	327382661	/nfs/dbraw/zinc/38/26/61/327382661.db2.gz	MRAJXTNUORZECN-CYBMUJFWSA-N	1	1	374.510	2.415	20	30		FEEDMO
Cc1oc(NC(=O)CN2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)c(C#N)c1C	ZINC000246273130	328604600	/nfs/dbraw/zinc/60/46/00/328604600.db2.gz	MVEULBOWDRPJGT-GRDNDAEWSA-N	1	1	374.485	2.280	20	30		FEEDMO
CCn1cnc2c1ncnc2N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000264659384	329045266	/nfs/dbraw/zinc/04/52/66/329045266.db2.gz	QOMJYIVYTZQTTD-UHFFFAOYSA-N	1	1	361.453	2.430	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(c2[nH+]ccn2C)CC1	ZINC000266962967	329277654	/nfs/dbraw/zinc/27/76/54/329277654.db2.gz	XDBVWYPQOXNCOL-CYBMUJFWSA-N	1	1	372.860	2.094	20	30		FEEDMO
COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1	ZINC000269097812	329485335	/nfs/dbraw/zinc/48/53/35/329485335.db2.gz	FDHGQWHESOXFJU-GFCCVEGCSA-N	1	1	364.833	2.313	20	30		FEEDMO
CN(C(=O)C(=O)Nc1cccc(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000275791886	330089620	/nfs/dbraw/zinc/08/96/20/330089620.db2.gz	YOCJLMAJJAEGGQ-IBGZPJMESA-N	1	1	362.433	2.230	20	30		FEEDMO
CC(C)(C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(F)cc(C#N)c1	ZINC000367210146	330230396	/nfs/dbraw/zinc/23/03/96/330230396.db2.gz	AIWXLUWNJZIAPD-MSOLQXFVSA-N	1	1	359.445	2.033	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@@H+](C)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000367254113	330236732	/nfs/dbraw/zinc/23/67/32/330236732.db2.gz	GERBZODXVHMOCD-UHFFFAOYSA-N	1	1	370.497	2.085	20	30		FEEDMO
C#C[C@@H](NC(=O)NCc1c[nH+]c(N(C)C)n1C)c1ccc(Cl)cc1F	ZINC000805187505	674324818	/nfs/dbraw/zinc/32/48/18/674324818.db2.gz	OTDGHSYADWSLKJ-OAHLLOKOSA-N	1	1	363.824	2.452	20	30		FEEDMO
COC[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C1CC1	ZINC000328625966	522159892	/nfs/dbraw/zinc/15/98/92/522159892.db2.gz	LFZMKYQFTLMYOK-CGTJXYLNSA-N	1	1	363.506	2.074	20	30		FEEDMO
C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1CCOCC1	ZINC000156020095	545592425	/nfs/dbraw/zinc/59/24/25/545592425.db2.gz	AXJTXCOVWWVAGA-UHFFFAOYSA-N	1	1	353.426	2.041	20	30		FEEDMO
CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CC#Cc1cccc(Cl)c1	ZINC000156236158	545610195	/nfs/dbraw/zinc/61/01/95/545610195.db2.gz	NISVYWJJOCLFPU-KRWDZBQOSA-N	1	1	354.903	2.485	20	30		FEEDMO
CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1	ZINC000156236158	545610199	/nfs/dbraw/zinc/61/01/99/545610199.db2.gz	NISVYWJJOCLFPU-KRWDZBQOSA-N	1	1	354.903	2.485	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1	ZINC000157382881	545733915	/nfs/dbraw/zinc/73/39/15/545733915.db2.gz	RABVCXBXKIDGEU-NSHDSACASA-N	1	1	361.389	2.197	20	30		FEEDMO
CCOCCO[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1	ZINC000157674454	545768484	/nfs/dbraw/zinc/76/84/84/545768484.db2.gz	AXNZMKYGXYDRTL-NNVNDSJASA-N	1	1	365.518	2.433	20	30		FEEDMO
N#Cc1c(F)cccc1N1CC[NH+](CCC(=O)Nc2cccnc2)CC1	ZINC000478439778	561166906	/nfs/dbraw/zinc/16/69/06/561166906.db2.gz	ZCSKEBGEQVJBQU-UHFFFAOYSA-N	1	1	353.401	2.243	20	30		FEEDMO
N#CCCCS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1	ZINC000161831875	546134172	/nfs/dbraw/zinc/13/41/72/546134172.db2.gz	AIMMCOJJBMYQPS-OAHLLOKOSA-N	1	1	371.890	2.233	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccn(CCC#N)n1	ZINC000163493991	546145657	/nfs/dbraw/zinc/14/56/57/546145657.db2.gz	JFRITXXWOXUQRN-RDJZCZTQSA-N	1	1	352.442	2.439	20	30		FEEDMO
C=CCOc1cccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1	ZINC000165169728	546152316	/nfs/dbraw/zinc/15/23/16/546152316.db2.gz	RIFYTJGGVDMZMB-GOSISDBHSA-N	1	1	372.469	2.022	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000171536849	546213497	/nfs/dbraw/zinc/21/34/97/546213497.db2.gz	YARWTARDKQGATM-UHFFFAOYSA-N	1	1	359.835	2.177	20	30		FEEDMO
COc1cccc([C@@H](C)[NH+]2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)c1	ZINC000171706509	546219461	/nfs/dbraw/zinc/21/94/61/546219461.db2.gz	LAVMTJXTDKMUSU-IIBYNOLFSA-N	1	1	370.497	2.182	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCC(C#N)CC1	ZINC000173397721	546280319	/nfs/dbraw/zinc/28/03/19/546280319.db2.gz	SKJVNPKMCRWXCG-QGZVFWFLSA-N	1	1	355.486	2.142	20	30		FEEDMO
CC(C)n1cnnc1[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000174554423	546298953	/nfs/dbraw/zinc/29/89/53/546298953.db2.gz	MLHPNBWMQFEGMU-INIZCTEOSA-N	1	1	358.490	2.381	20	30		FEEDMO
CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1	ZINC000174554423	546298955	/nfs/dbraw/zinc/29/89/55/546298955.db2.gz	MLHPNBWMQFEGMU-INIZCTEOSA-N	1	1	358.490	2.381	20	30		FEEDMO
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[N@H+](C)CCO1	ZINC000174681638	546301594	/nfs/dbraw/zinc/30/15/94/546301594.db2.gz	GMCCSMUZFWSASM-HNNXBMFYSA-N	1	1	371.250	2.433	20	30		FEEDMO
C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1C[N@@H+](C)CCO1	ZINC000174681638	546301602	/nfs/dbraw/zinc/30/16/02/546301602.db2.gz	GMCCSMUZFWSASM-HNNXBMFYSA-N	1	1	371.250	2.433	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](CC(N)=O)C2)cc1	ZINC000175251516	546307798	/nfs/dbraw/zinc/30/77/98/546307798.db2.gz	ZJVOCSYHJWNTNV-IAGOWNOFSA-N	1	1	356.470	2.218	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000480712320	561215104	/nfs/dbraw/zinc/21/51/04/561215104.db2.gz	SIWHKMQFRDELSG-MRXNPFEDSA-N	1	1	367.490	2.485	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1	ZINC000177467916	546625375	/nfs/dbraw/zinc/62/53/75/546625375.db2.gz	YEYFEFWLFGGQGH-HXUWFJFHSA-N	1	1	357.454	2.435	20	30		FEEDMO
C=C(C)C[N@H+](C)CCC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC	ZINC000481235171	561228547	/nfs/dbraw/zinc/22/85/47/561228547.db2.gz	KIWLLTWFSZXNBA-UHFFFAOYSA-N	1	1	368.455	2.466	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1	ZINC000178298682	546772501	/nfs/dbraw/zinc/77/25/01/546772501.db2.gz	XWWGNKLFJIHSLV-GOSISDBHSA-N	1	1	359.470	2.189	20	30		FEEDMO
C[C@H](N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1)C(F)(F)F	ZINC000178736212	546841171	/nfs/dbraw/zinc/84/11/71/546841171.db2.gz	HGDKZZPQVKPOJS-ZDUSSCGKSA-N	1	1	354.376	2.455	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1	ZINC000481685879	561238642	/nfs/dbraw/zinc/23/86/42/561238642.db2.gz	LKFOWFQBPKNLLV-MRXNPFEDSA-N	1	1	358.486	2.336	20	30		FEEDMO
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCc1ccc(OCC#N)cc1	ZINC000179025374	546888563	/nfs/dbraw/zinc/88/85/63/546888563.db2.gz	NXVJNZCFVAEFIH-UHFFFAOYSA-N	1	1	374.485	2.089	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2nnc3n2CCCC3)CC1	ZINC000481841044	561243560	/nfs/dbraw/zinc/24/35/60/561243560.db2.gz	NGXZYHSHMAGXHZ-YWZLYKJASA-N	1	1	372.517	2.237	20	30		FEEDMO
N#Cc1csc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c1	ZINC000179431237	546952511	/nfs/dbraw/zinc/95/25/11/546952511.db2.gz	CRMOJTCDNGTOFI-DLBZAZTESA-N	1	1	355.463	2.233	20	30		FEEDMO
N#Cc1csc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1	ZINC000179431237	546952516	/nfs/dbraw/zinc/95/25/16/546952516.db2.gz	CRMOJTCDNGTOFI-DLBZAZTESA-N	1	1	355.463	2.233	20	30		FEEDMO
C[N@@H+](CCCO)C1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1	ZINC000179761233	547009914	/nfs/dbraw/zinc/00/99/14/547009914.db2.gz	KSIITOSPRDJOMG-UHFFFAOYSA-N	1	1	359.470	2.021	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)cc1C#N	ZINC000180898116	547205168	/nfs/dbraw/zinc/20/51/68/547205168.db2.gz	DZQMANXQKBQJAB-CQSZACIVSA-N	1	1	368.412	2.273	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F	ZINC000483084293	561266774	/nfs/dbraw/zinc/26/67/74/561266774.db2.gz	DKJBVOFIKAOSDT-XJKSGUPXSA-N	1	1	373.375	2.263	20	30		FEEDMO
C=CCCC[C@@H](C)NC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1	ZINC000181091910	547248289	/nfs/dbraw/zinc/24/82/89/547248289.db2.gz	FJVYPEGRCDZLDF-QGZVFWFLSA-N	1	1	364.534	2.317	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NCc1cnc(N2CC[NH+](C)CC2)nc1	ZINC000181128375	547255709	/nfs/dbraw/zinc/25/57/09/547255709.db2.gz	RKADPEMQCUSRNL-OAHLLOKOSA-N	1	1	352.442	2.131	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@](C)(C(N)=O)C1	ZINC000483285622	561273007	/nfs/dbraw/zinc/27/30/07/561273007.db2.gz	OUFKLGUCHLJJDY-BLVKFPJESA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@](C)(C(N)=O)C1	ZINC000483285622	561273008	/nfs/dbraw/zinc/27/30/08/561273008.db2.gz	OUFKLGUCHLJJDY-BLVKFPJESA-N	1	1	374.510	2.413	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(F)cc2F)CC1	ZINC000181583800	547339882	/nfs/dbraw/zinc/33/98/82/547339882.db2.gz	BCEDNODVAXJVIZ-KSSFIOAISA-N	1	1	364.440	2.308	20	30		FEEDMO
C=CCSCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000182618032	547522828	/nfs/dbraw/zinc/52/28/28/547522828.db2.gz	NNDCZVAGZCGCQG-GOSISDBHSA-N	1	1	363.527	2.362	20	30		FEEDMO
CN(C(=O)C[NH2+][C@@H](C[S@@](C)=O)c1ccccc1)C1(C#N)CCCCC1	ZINC000183080690	547598389	/nfs/dbraw/zinc/59/83/89/547598389.db2.gz	KLSKSYLYHMNNOS-SSOJOUAXSA-N	1	1	361.511	2.381	20	30		FEEDMO
C[NH+]1CCN(CCC(C)(C)NC(=O)CSc2ccc(C#N)cc2)CC1	ZINC000184169624	547779763	/nfs/dbraw/zinc/77/97/63/547779763.db2.gz	ZKBBSKFRIIQRAT-UHFFFAOYSA-N	1	1	360.527	2.183	20	30		FEEDMO
COCC[N@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CC[C@@H](C)C1	ZINC000484873748	561307600	/nfs/dbraw/zinc/30/76/00/561307600.db2.gz	LOULUURZNQEBII-WBVHZDCISA-N	1	1	350.484	2.469	20	30		FEEDMO
COCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)[C@H]1CC[C@@H](C)C1	ZINC000484873748	561307601	/nfs/dbraw/zinc/30/76/01/561307601.db2.gz	LOULUURZNQEBII-WBVHZDCISA-N	1	1	350.484	2.469	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000184328802	547807991	/nfs/dbraw/zinc/80/79/91/547807991.db2.gz	NABUWOTYGRSEFG-FXAWDEMLSA-N	1	1	372.513	2.104	20	30		FEEDMO
CC[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1nc(C)cs1	ZINC000184398966	547820841	/nfs/dbraw/zinc/82/08/41/547820841.db2.gz	NXWHRAHIZWUREX-HZPDHXFCSA-N	1	1	363.531	2.185	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)[N@H+]1CCC[C@H](C)C1	ZINC000184621578	547855542	/nfs/dbraw/zinc/85/55/42/547855542.db2.gz	LPXCNJZAQVVRME-GJZGRUSLSA-N	1	1	367.457	2.381	20	30		FEEDMO
CC#CCCCC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000185230867	547956218	/nfs/dbraw/zinc/95/62/18/547956218.db2.gz	KGKROSPPJPCMMA-UHFFFAOYSA-N	1	1	371.481	2.157	20	30		FEEDMO
N#Cc1ccc(CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)cc1F	ZINC000190126801	548317763	/nfs/dbraw/zinc/31/77/63/548317763.db2.gz	HKBCVGHDWVTMCS-HDICACEKSA-N	1	1	363.392	2.314	20	30		FEEDMO
Cc1sc(NC(=O)CN(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C	ZINC000195313878	548621025	/nfs/dbraw/zinc/62/10/25/548621025.db2.gz	KFCPLQBNRIIDHN-BETUJISGSA-N	1	1	364.515	2.216	20	30		FEEDMO
Cc1sc(NC(=O)CN(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C#N)c1C	ZINC000195313878	548621029	/nfs/dbraw/zinc/62/10/29/548621029.db2.gz	KFCPLQBNRIIDHN-BETUJISGSA-N	1	1	364.515	2.216	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COc2cc(Cl)cc(C#N)c2)C1	ZINC000487390870	561368950	/nfs/dbraw/zinc/36/89/50/561368950.db2.gz	QDKCSFFPAYIEKV-KRWDZBQOSA-N	1	1	365.861	2.063	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)CN2CC[N@@H+](C)[C@H](C(C)C)C2)c(OC)c1	ZINC000487995897	561380916	/nfs/dbraw/zinc/38/09/16/561380916.db2.gz	BFIVFGZIPXPCLE-OALUTQOASA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCN(C)[C@H](C(C)C)C2)c(OC)c1	ZINC000487995897	561380917	/nfs/dbraw/zinc/38/09/17/561380917.db2.gz	BFIVFGZIPXPCLE-OALUTQOASA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCN(C)[C@H](C(C)C)C2)c(OC)c1	ZINC000487995897	561380918	/nfs/dbraw/zinc/38/09/18/561380918.db2.gz	BFIVFGZIPXPCLE-OALUTQOASA-N	1	1	362.514	2.435	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc(C#N)c2C)CC1=O	ZINC000245668562	548970599	/nfs/dbraw/zinc/97/05/99/548970599.db2.gz	BSRIZBVBJMJJPE-DLBZAZTESA-N	1	1	354.454	2.138	20	30		FEEDMO
C[C@@H](C1CC1)[N@@H+](C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000245843337	549003146	/nfs/dbraw/zinc/00/31/46/549003146.db2.gz	DEEPZBNWZHCSCZ-HNAYVOBHSA-N	1	1	358.461	2.265	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1	ZINC000246008912	549035982	/nfs/dbraw/zinc/03/59/82/549035982.db2.gz	KOFNPDXQITWDRX-VQTJNVASSA-N	1	1	358.530	2.243	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)[C@H]2CCc3ccccc3C2)CC1	ZINC000246113892	549055300	/nfs/dbraw/zinc/05/53/00/549055300.db2.gz	PWXRWXVMWKKQGQ-LEWJYISDSA-N	1	1	368.525	2.168	20	30		FEEDMO
C=CCn1cccc1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000488512218	561391128	/nfs/dbraw/zinc/39/11/28/561391128.db2.gz	ZQCJRTBWGVVLRY-UHFFFAOYSA-N	1	1	356.445	2.365	20	30		FEEDMO
C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[C@H]1O	ZINC000246551635	549159453	/nfs/dbraw/zinc/15/94/53/549159453.db2.gz	LJPLQPYLDRWESM-DOTOQJQBSA-N	1	1	368.399	2.266	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2cccc(C#N)c2)[C@@H](C)C1	ZINC000247249368	549306119	/nfs/dbraw/zinc/30/61/19/549306119.db2.gz	PJDHTXYVLAUOQL-LPHOPBHVSA-N	1	1	358.486	2.494	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1	ZINC000247318878	549317442	/nfs/dbraw/zinc/31/74/42/549317442.db2.gz	WWRDHAMQQFVXAS-QFBILLFUSA-N	1	1	358.486	2.494	20	30		FEEDMO
CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1	ZINC000247368040	549324510	/nfs/dbraw/zinc/32/45/10/549324510.db2.gz	OYUGQTIYALVJKN-MAUKXSAKSA-N	1	1	373.476	2.258	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@H]21	ZINC000248149404	549412262	/nfs/dbraw/zinc/41/22/62/549412262.db2.gz	QOLRVEYUAKOUMD-CZUORRHYSA-N	1	1	360.845	2.093	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000248911683	549526872	/nfs/dbraw/zinc/52/68/72/549526872.db2.gz	VMCGXOOGSQPKNF-FXAWDEMLSA-N	1	1	356.514	2.457	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NCC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1	ZINC000249455830	549593247	/nfs/dbraw/zinc/59/32/47/549593247.db2.gz	PMTPLFHHRGRTDD-ZWKOTPCHSA-N	1	1	364.534	2.056	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1	ZINC000249757889	549625987	/nfs/dbraw/zinc/62/59/87/549625987.db2.gz	LHHKGTVHQRNXOF-DLBZAZTESA-N	1	1	372.513	2.408	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1	ZINC000249757889	549625992	/nfs/dbraw/zinc/62/59/92/549625992.db2.gz	LHHKGTVHQRNXOF-DLBZAZTESA-N	1	1	372.513	2.408	20	30		FEEDMO
C[N@H+]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)[C@H](c2ccccc2)C1	ZINC000249813917	549630369	/nfs/dbraw/zinc/63/03/69/549630369.db2.gz	JQCOBZZZVHTLHV-CTNGQTDRSA-N	1	1	351.450	2.287	20	30		FEEDMO
CN1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@H](c2ccccc2)C1	ZINC000249813917	549630376	/nfs/dbraw/zinc/63/03/76/549630376.db2.gz	JQCOBZZZVHTLHV-CTNGQTDRSA-N	1	1	351.450	2.287	20	30		FEEDMO
CN1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)[C@H](c2ccccc2)C1	ZINC000249813917	549630379	/nfs/dbraw/zinc/63/03/79/549630379.db2.gz	JQCOBZZZVHTLHV-CTNGQTDRSA-N	1	1	351.450	2.287	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1	ZINC000250230369	549640801	/nfs/dbraw/zinc/64/08/01/549640801.db2.gz	IZFADYPCIWRGJU-HZPDHXFCSA-N	1	1	359.470	2.427	20	30		FEEDMO
C[C@H](C(=O)N1CCCCC1)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000253378264	549684731	/nfs/dbraw/zinc/68/47/31/549684731.db2.gz	ZUMJDVBNIYCNSM-GOSISDBHSA-N	1	1	354.498	2.467	20	30		FEEDMO
C[C@H](C(=O)N1CCCCC1)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000253378264	549684734	/nfs/dbraw/zinc/68/47/34/549684734.db2.gz	ZUMJDVBNIYCNSM-GOSISDBHSA-N	1	1	354.498	2.467	20	30		FEEDMO
C[C@H](C(=O)N1CCCCC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000253378264	549684738	/nfs/dbraw/zinc/68/47/38/549684738.db2.gz	ZUMJDVBNIYCNSM-GOSISDBHSA-N	1	1	354.498	2.467	20	30		FEEDMO
CS(=O)(=O)N1CC[N@H+](CCOc2ccc(C#N)cc2)Cc2ccccc21	ZINC000490605953	561435990	/nfs/dbraw/zinc/43/59/90/561435990.db2.gz	LBXZDINBKSDRPF-UHFFFAOYSA-N	1	1	371.462	2.219	20	30		FEEDMO
CS(=O)(=O)N1CC[N@@H+](CCOc2ccc(C#N)cc2)Cc2ccccc21	ZINC000490605953	561435991	/nfs/dbraw/zinc/43/59/91/561435991.db2.gz	LBXZDINBKSDRPF-UHFFFAOYSA-N	1	1	371.462	2.219	20	30		FEEDMO
Cc1nc(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N	ZINC000263725072	549926544	/nfs/dbraw/zinc/92/65/44/549926544.db2.gz	FGISTZFYSHJDNU-GASCZTMLSA-N	1	1	356.470	2.223	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(SC)c(OC)c1	ZINC000263728607	549927313	/nfs/dbraw/zinc/92/73/13/549927313.db2.gz	PQYOZJUZTLOOLS-LBPRGKRZSA-N	1	1	351.472	2.249	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(SC)c(OC)c1	ZINC000263728607	549927316	/nfs/dbraw/zinc/92/73/16/549927316.db2.gz	PQYOZJUZTLOOLS-LBPRGKRZSA-N	1	1	351.472	2.249	20	30		FEEDMO
C=C(C)C[N@H+](CC)[C@H](C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F	ZINC000263735401	549928676	/nfs/dbraw/zinc/92/86/76/549928676.db2.gz	FTWBXKQWPCXIOC-LLVKDONJSA-N	1	1	357.376	2.445	20	30		FEEDMO
CNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1	ZINC000264735115	550000173	/nfs/dbraw/zinc/00/01/73/550000173.db2.gz	QIEOVSIBOGYLBF-DLBZAZTESA-N	1	1	356.470	2.088	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+](CCCO)[C@@H]1CCc2ccccc21	ZINC000265041399	550005295	/nfs/dbraw/zinc/00/52/95/550005295.db2.gz	NIDASMIFYIMUQC-LJQANCHMSA-N	1	1	354.454	2.014	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)[C@@H](C)CS(=O)(=O)CC)C(C)C	ZINC000265096699	550006155	/nfs/dbraw/zinc/00/61/55/550006155.db2.gz	RTOSHSJYYJDBKA-IRXDYDNUSA-N	1	1	373.563	2.150	20	30		FEEDMO
C#CCOc1ccccc1C[NH2+]Cc1ccccc1OCC(=O)N(C)C	ZINC000265242350	550007945	/nfs/dbraw/zinc/00/79/45/550007945.db2.gz	WMGZOENNPHFXBD-UHFFFAOYSA-N	1	1	352.434	2.455	20	30		FEEDMO
C#CCNC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1	ZINC000265259815	550008168	/nfs/dbraw/zinc/00/81/68/550008168.db2.gz	VDXXAEGZBGTKMC-UHFFFAOYSA-N	1	1	374.794	2.015	20	30		FEEDMO
C#CCNC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)c(Cl)n2)CC1	ZINC000265259815	550008170	/nfs/dbraw/zinc/00/81/70/550008170.db2.gz	VDXXAEGZBGTKMC-UHFFFAOYSA-N	1	1	374.794	2.015	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](CC(N)=O)C1	ZINC000266925899	550026024	/nfs/dbraw/zinc/02/60/24/550026024.db2.gz	KAFHQEKRDXAENB-GJZGRUSLSA-N	1	1	360.433	2.048	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2cccc(/N=C/c3cccc(O)c3O)c2)CC1	ZINC000267010614	550026477	/nfs/dbraw/zinc/02/64/77/550026477.db2.gz	DHAWPQHPUPEZPV-KGENOOAVSA-N	1	1	353.422	2.165	20	30		FEEDMO
CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1	ZINC000268538314	550084204	/nfs/dbraw/zinc/08/42/04/550084204.db2.gz	JZPQVJVSGSBGPL-SFHVURJKSA-N	1	1	355.463	2.453	20	30		FEEDMO
CN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000268539984	550084635	/nfs/dbraw/zinc/08/46/35/550084635.db2.gz	KKBWZIQBDPJDIC-OAQYLSRUSA-N	1	1	362.477	2.381	20	30		FEEDMO
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000269058284	550150140	/nfs/dbraw/zinc/15/01/40/550150140.db2.gz	ANQXCYBLPKXMBY-AWEZNQCLSA-N	1	1	362.861	2.340	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1	ZINC000269692703	550217575	/nfs/dbraw/zinc/21/75/75/550217575.db2.gz	KLGVZJQXDJVXIG-KRWDZBQOSA-N	1	1	363.465	2.202	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21)C1CC1	ZINC000270439277	550272598	/nfs/dbraw/zinc/27/25/98/550272598.db2.gz	JKUXVLVKVWNSHT-JXFKEZNVSA-N	1	1	351.454	2.309	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1	ZINC000270878744	550316705	/nfs/dbraw/zinc/31/67/05/550316705.db2.gz	JXENOLNHKCWMPT-SFHVURJKSA-N	1	1	368.481	2.247	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](N3CCCC3=O)C2)c1	ZINC000270878744	550316708	/nfs/dbraw/zinc/31/67/08/550316708.db2.gz	JXENOLNHKCWMPT-SFHVURJKSA-N	1	1	368.481	2.247	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000270965457	550326531	/nfs/dbraw/zinc/32/65/31/550326531.db2.gz	VNPXCPZXHMGIDZ-UHFFFAOYSA-N	1	1	354.498	2.497	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000272015195	550416383	/nfs/dbraw/zinc/41/63/83/550416383.db2.gz	LMRRIJQSZRPQMT-ZDUSSCGKSA-N	1	1	364.833	2.216	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1	ZINC000272022083	550416711	/nfs/dbraw/zinc/41/67/11/550416711.db2.gz	NAUQSPOPHLIPGW-QGZVFWFLSA-N	1	1	356.445	2.102	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1OCC#N	ZINC000272578297	550458918	/nfs/dbraw/zinc/45/89/18/550458918.db2.gz	WAHMMYQRICCEHN-XQTSXYSPSA-N	1	1	355.438	2.163	20	30		FEEDMO
C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)C1=CC[N@@H+](C)CC1	ZINC000272757938	550469321	/nfs/dbraw/zinc/46/93/21/550469321.db2.gz	FQAZPRMHFYHXFV-OAHLLOKOSA-N	1	1	354.454	2.434	20	30		FEEDMO
C=CCS(=O)(=O)CCNC(=O)c1ccc(C[N@H+](CC)CCC)cc1	ZINC000272926715	550477186	/nfs/dbraw/zinc/47/71/86/550477186.db2.gz	YWZNVJZTCDVHOL-UHFFFAOYSA-N	1	1	352.500	2.249	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000273072519	550483776	/nfs/dbraw/zinc/48/37/76/550483776.db2.gz	AFUKHNABMQHALL-RDJZCZTQSA-N	1	1	358.442	2.332	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21	ZINC000273241880	550491157	/nfs/dbraw/zinc/49/11/57/550491157.db2.gz	WVWOHXFBYCNBCQ-WBVHZDCISA-N	1	1	358.442	2.141	20	30		FEEDMO
N#Cc1ccc(-c2nc(-c3ccccc3C[N@@H+]3CCC[C@@H]3C(N)=O)no2)[nH]1	ZINC000273926921	550515823	/nfs/dbraw/zinc/51/58/23/550515823.db2.gz	RASHVRZDXXLONZ-MRXNPFEDSA-N	1	1	362.393	2.053	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[NH+]1CCC(Oc2cncc(Cl)n2)CC1	ZINC000275026830	550570250	/nfs/dbraw/zinc/57/02/50/550570250.db2.gz	ACTZDPVTCACLAG-UHFFFAOYSA-N	1	1	352.866	2.398	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](O)C(C)(C)C1	ZINC000275396008	550572021	/nfs/dbraw/zinc/57/20/21/550572021.db2.gz	DDHQITJNQCDWAE-QAPCUYQASA-N	1	1	359.470	2.423	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@H](O)C(C)(C)C1	ZINC000275396008	550572023	/nfs/dbraw/zinc/57/20/23/550572023.db2.gz	DDHQITJNQCDWAE-QAPCUYQASA-N	1	1	359.470	2.423	20	30		FEEDMO
O=C(C[N@H+](CCO)C1CCC1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000275865089	550574817	/nfs/dbraw/zinc/57/48/17/550574817.db2.gz	NFZNMBKYTBKSOV-UHFFFAOYSA-N	1	1	354.372	2.020	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000277626614	550693695	/nfs/dbraw/zinc/69/36/95/550693695.db2.gz	ZMZBRHAGNHPFAL-HOCLYGCPSA-N	1	1	370.453	2.049	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000278658738	550808856	/nfs/dbraw/zinc/80/88/56/550808856.db2.gz	NAOGVPADJMANMG-CVEARBPZSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1	ZINC000279411100	550887216	/nfs/dbraw/zinc/88/72/16/550887216.db2.gz	NVHOSNFTLMBHIF-APWZRJJASA-N	1	1	350.470	2.385	20	30		FEEDMO
CN1CC[C@@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1	ZINC000279411100	550887218	/nfs/dbraw/zinc/88/72/18/550887218.db2.gz	NVHOSNFTLMBHIF-APWZRJJASA-N	1	1	350.470	2.385	20	30		FEEDMO
CN1CC[C@@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1	ZINC000279411100	550887220	/nfs/dbraw/zinc/88/72/20/550887220.db2.gz	NVHOSNFTLMBHIF-APWZRJJASA-N	1	1	350.470	2.385	20	30		FEEDMO
N#CCCn1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1	ZINC000279532999	550900302	/nfs/dbraw/zinc/90/03/02/550900302.db2.gz	WDANHADYYQGIRC-HDICACEKSA-N	1	1	364.453	2.392	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000280060560	550957147	/nfs/dbraw/zinc/95/71/47/550957147.db2.gz	GXCMKFSKKBBCIF-UHFFFAOYSA-N	1	1	353.781	2.097	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC=CCC1	ZINC000280459651	550996341	/nfs/dbraw/zinc/99/63/41/550996341.db2.gz	OBUCUFBOWYCXCK-OAHLLOKOSA-N	1	1	372.494	2.397	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CC=CCC1	ZINC000280459651	550996343	/nfs/dbraw/zinc/99/63/43/550996343.db2.gz	OBUCUFBOWYCXCK-OAHLLOKOSA-N	1	1	372.494	2.397	20	30		FEEDMO
N#Cc1cccnc1N1CCN(Cc2cc(=O)oc3cc([O-])ccc23)CC1	ZINC000280611151	551013271	/nfs/dbraw/zinc/01/32/71/551013271.db2.gz	ZNWQFIVTTJLHDW-UHFFFAOYSA-N	1	1	362.389	2.087	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](CC(N)=O)c1ccccc1	ZINC000280642888	551016856	/nfs/dbraw/zinc/01/68/56/551016856.db2.gz	YJWFJMDJEWEBPZ-GOSISDBHSA-N	1	1	350.422	2.435	20	30		FEEDMO
C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000281122917	551066066	/nfs/dbraw/zinc/06/60/66/551066066.db2.gz	BKVCOPAHMUZKNA-RTBURBONSA-N	1	1	355.482	2.144	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000281162843	551069483	/nfs/dbraw/zinc/06/94/83/551069483.db2.gz	ZVFNKKJGEJZBOC-RLLQIKCJSA-N	1	1	373.497	2.034	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C1=O	ZINC000281382162	551090292	/nfs/dbraw/zinc/09/02/92/551090292.db2.gz	PGEPIPJUYAREMT-HNNXBMFYSA-N	1	1	365.861	2.396	20	30		FEEDMO
COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1C#N	ZINC000281458225	551099952	/nfs/dbraw/zinc/09/99/52/551099952.db2.gz	ARSMTWZBSIYPDM-HXUWFJFHSA-N	1	1	351.450	2.423	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1	ZINC000281637917	551123832	/nfs/dbraw/zinc/12/38/32/551123832.db2.gz	XXIPXMGQPVXUJA-HOJAQTOUSA-N	1	1	358.482	2.282	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000282992117	551294714	/nfs/dbraw/zinc/29/47/14/551294714.db2.gz	NASLPEOTRPHUDX-CABCVRRESA-N	1	1	370.544	2.028	20	30		FEEDMO
C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(C#N)c(Cl)n2)C[C@H](C)O1	ZINC000283129566	551316421	/nfs/dbraw/zinc/31/64/21/551316421.db2.gz	TXSRHXGITAYSNE-RYUDHWBXSA-N	1	1	350.850	2.224	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCOCCO)C(C)C)c1C	ZINC000283761743	551423614	/nfs/dbraw/zinc/42/36/14/551423614.db2.gz	NAMPMCBZQMINQQ-UHFFFAOYSA-N	1	1	361.486	2.269	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000283803059	551429605	/nfs/dbraw/zinc/42/96/05/551429605.db2.gz	AVFGNDMHUXLFHO-OALUTQOASA-N	1	1	368.481	2.038	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000498322472	561522071	/nfs/dbraw/zinc/52/20/71/561522071.db2.gz	MZFKRHKOEAIANL-WCIQWLHISA-N	1	1	361.482	2.017	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O	ZINC000498322472	561522072	/nfs/dbraw/zinc/52/20/72/561522072.db2.gz	MZFKRHKOEAIANL-WCIQWLHISA-N	1	1	361.482	2.017	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCCOc2ccc(C#N)cc2)C1	ZINC000498391298	561523994	/nfs/dbraw/zinc/52/39/94/561523994.db2.gz	LOCLSYMSNHJQSQ-UHFFFAOYSA-N	1	1	364.449	2.463	20	30		FEEDMO
CCOC1CC2(C1)CC[N@@H+]([C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)C2	ZINC000285041679	551695320	/nfs/dbraw/zinc/69/53/20/551695320.db2.gz	IZYHCEVQEJUHBD-OHTSDLOESA-N	1	1	353.422	2.081	20	30		FEEDMO
CCOC1CC2(C1)CC[N@H+]([C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1=O)C2	ZINC000285041679	551695323	/nfs/dbraw/zinc/69/53/23/551695323.db2.gz	IZYHCEVQEJUHBD-OHTSDLOESA-N	1	1	353.422	2.081	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)c2c(F)cc(C#N)cc2F)CCC[N@H+]1C	ZINC000285093999	551703621	/nfs/dbraw/zinc/70/36/21/551703621.db2.gz	DQKPOYNXUAIALP-SCLBCKFNSA-N	1	1	373.407	2.383	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000498711979	561532511	/nfs/dbraw/zinc/53/25/11/561532511.db2.gz	WBPOEVGUHAAYQI-QGZVFWFLSA-N	1	1	356.470	2.266	20	30		FEEDMO
CCN(CC#N)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000285274436	551730507	/nfs/dbraw/zinc/73/05/07/551730507.db2.gz	SWELOLHQPDKSHS-MOPGFXCFSA-N	1	1	351.454	2.008	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1	ZINC000285743393	551804337	/nfs/dbraw/zinc/80/43/37/551804337.db2.gz	FGBBGRMFAVDODV-KRWDZBQOSA-N	1	1	361.486	2.073	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCc1nc(-c2ccccc2)no1	ZINC000286157413	551855260	/nfs/dbraw/zinc/85/52/60/551855260.db2.gz	WDKZATHJAQCIAP-OAHLLOKOSA-N	1	1	355.442	2.219	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCc1nc(-c2ccccc2)no1	ZINC000286157413	551855262	/nfs/dbraw/zinc/85/52/62/551855262.db2.gz	WDKZATHJAQCIAP-OAHLLOKOSA-N	1	1	355.442	2.219	20	30		FEEDMO
CC[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)CS(=O)(=O)CC	ZINC000499033741	561541638	/nfs/dbraw/zinc/54/16/38/561541638.db2.gz	MCMMVIVWKCTOFA-LBPRGKRZSA-N	1	1	357.501	2.093	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)CS(=O)(=O)CC	ZINC000499033741	561541639	/nfs/dbraw/zinc/54/16/39/561541639.db2.gz	MCMMVIVWKCTOFA-LBPRGKRZSA-N	1	1	357.501	2.093	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1	ZINC000286763694	551923660	/nfs/dbraw/zinc/92/36/60/551923660.db2.gz	ZLSMNACPJAEINK-ZIAGYGMSSA-N	1	1	358.360	2.438	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)o1	ZINC000286781196	551925020	/nfs/dbraw/zinc/92/50/20/551925020.db2.gz	XCIFUKPUMZYMMA-UHFFFAOYSA-N	1	1	351.472	2.428	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)o2)C1	ZINC000286844516	551932725	/nfs/dbraw/zinc/93/27/25/551932725.db2.gz	KPAJVGKCZPTHOM-GJZGRUSLSA-N	1	1	351.472	2.426	20	30		FEEDMO
N#Cc1ccc(NC(=O)NCCC[NH+]2CCOCC2)cc1Br	ZINC000287126521	551966837	/nfs/dbraw/zinc/96/68/37/551966837.db2.gz	GKWYGFCWPNJRBJ-UHFFFAOYSA-N	1	1	367.247	2.165	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CC12CCS(=O)(=O)CC2)C(C)C	ZINC000287621788	552026439	/nfs/dbraw/zinc/02/64/39/552026439.db2.gz	PPGZJXGXVPRYON-SJORKVTESA-N	1	1	368.543	2.016	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H](O)Cc1cccc(Cl)c1	ZINC000287812645	552049818	/nfs/dbraw/zinc/04/98/18/552049818.db2.gz	PHFKCAIBBXRNAB-YOEHRIQHSA-N	1	1	371.872	2.116	20	30		FEEDMO
CC[N@@H+](Cc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1)C(C)C	ZINC000288005764	552074055	/nfs/dbraw/zinc/07/40/55/552074055.db2.gz	BCOGEBRCIZUTSC-UHFFFAOYSA-N	1	1	356.470	2.115	20	30		FEEDMO
C=CCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000288171157	552103990	/nfs/dbraw/zinc/10/39/90/552103990.db2.gz	MPYMPHPRMRRHCL-HKUYNNGSSA-N	1	1	357.498	2.486	20	30		FEEDMO
CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)Cc1ccc(C#N)cc1	ZINC000288189188	552106899	/nfs/dbraw/zinc/10/68/99/552106899.db2.gz	AKAGPQZWTMFFLL-UHFFFAOYSA-N	1	1	361.467	2.435	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(c3ccnc(C#N)c3)CC2)C1	ZINC000288327808	552133909	/nfs/dbraw/zinc/13/39/09/552133909.db2.gz	VINMSKPICAMILV-QGZVFWFLSA-N	1	1	357.458	2.085	20	30		FEEDMO
C[C@H]1COCCN1CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000499773904	561558143	/nfs/dbraw/zinc/55/81/43/561558143.db2.gz	PQPOJUKYNPVFRQ-QFBILLFUSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@H]1COCC[N@@H+]1CCN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000499773904	561558144	/nfs/dbraw/zinc/55/81/44/561558144.db2.gz	PQPOJUKYNPVFRQ-QFBILLFUSA-N	1	1	362.905	2.243	20	30		FEEDMO
C[C@H]1COCC[N@H+]1CCN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000499773904	561558145	/nfs/dbraw/zinc/55/81/45/561558145.db2.gz	PQPOJUKYNPVFRQ-QFBILLFUSA-N	1	1	362.905	2.243	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccccc1O[C@@H](C)C#N	ZINC000288866299	552227186	/nfs/dbraw/zinc/22/71/86/552227186.db2.gz	QHBLISDHOJDMJX-GJZGRUSLSA-N	1	1	360.458	2.153	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1c1ccccc1	ZINC000289044271	552257385	/nfs/dbraw/zinc/25/73/85/552257385.db2.gz	CYRBGRDEDRXXIN-MOPGFXCFSA-N	1	1	355.463	2.423	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289227570	552285726	/nfs/dbraw/zinc/28/57/26/552285726.db2.gz	SZRNUSRDJJAWQM-IEBWSBKVSA-N	1	1	357.498	2.438	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1OC	ZINC000289383535	552312074	/nfs/dbraw/zinc/31/20/74/552312074.db2.gz	MSRYILYXMAHAAI-MRXNPFEDSA-N	1	1	368.499	2.116	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1OC	ZINC000289383535	552312076	/nfs/dbraw/zinc/31/20/76/552312076.db2.gz	MSRYILYXMAHAAI-MRXNPFEDSA-N	1	1	368.499	2.116	20	30		FEEDMO
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cncc(C#N)c1	ZINC000289648376	552355782	/nfs/dbraw/zinc/35/57/82/552355782.db2.gz	GCEGNJHNCXZHOS-IEBWSBKVSA-N	1	1	368.462	2.258	20	30		FEEDMO
COC(=O)[C@@H]([N@@H+]1CCCN(c2ccccc2C#N)CC1)C1(OC)CCC1	ZINC000290180478	552438922	/nfs/dbraw/zinc/43/89/22/552438922.db2.gz	ZEJNHHWFLCYVGJ-GOSISDBHSA-N	1	1	357.454	2.181	20	30		FEEDMO
COC(=O)[C@@H]([N@H+]1CCCN(c2ccccc2C#N)CC1)C1(OC)CCC1	ZINC000290180478	552438924	/nfs/dbraw/zinc/43/89/24/552438924.db2.gz	ZEJNHHWFLCYVGJ-GOSISDBHSA-N	1	1	357.454	2.181	20	30		FEEDMO
N#Cc1cncc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)c1	ZINC000290999034	552574170	/nfs/dbraw/zinc/57/41/70/552574170.db2.gz	UULFWGOJRIGQFL-INIZCTEOSA-N	1	1	354.435	2.127	20	30		FEEDMO
CCC[N@@H+](CC)C[C@@H](C)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000291530394	552634464	/nfs/dbraw/zinc/63/44/64/552634464.db2.gz	KPNBHGQHVSLOMW-CQSZACIVSA-N	1	1	370.501	2.387	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1	ZINC000291814571	552664491	/nfs/dbraw/zinc/66/44/91/552664491.db2.gz	NOZRPKIXZIVOJV-NQIIRXRSSA-N	1	1	357.498	2.312	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)nc1	ZINC000292178640	552701781	/nfs/dbraw/zinc/70/17/81/552701781.db2.gz	MHMUDOMNORZUOF-SJORKVTESA-N	1	1	354.366	2.048	20	30		FEEDMO
C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292193594	552703236	/nfs/dbraw/zinc/70/32/36/552703236.db2.gz	NGOMWRLPBPWSOH-LPHOPBHVSA-N	1	1	364.449	2.453	20	30		FEEDMO
C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292193594	552703238	/nfs/dbraw/zinc/70/32/38/552703238.db2.gz	NGOMWRLPBPWSOH-LPHOPBHVSA-N	1	1	364.449	2.453	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000292432457	552726209	/nfs/dbraw/zinc/72/62/09/552726209.db2.gz	WEZIAUWSSIVJRH-JFIYKMOQSA-N	1	1	373.497	2.265	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cc(C#N)cc(N(C)C)c2)C[C@@H](C)O1	ZINC000292552618	552737633	/nfs/dbraw/zinc/73/76/33/552737633.db2.gz	HKPWCDFAPMDQFT-GPMSIDNRSA-N	1	1	370.497	2.338	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C[C@H](C)O1	ZINC000293040031	552783164	/nfs/dbraw/zinc/78/31/64/552783164.db2.gz	KRWYUIKXOWVNEZ-TXEJJXNPSA-N	1	1	370.375	2.201	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1SC(F)F	ZINC000293252683	552803383	/nfs/dbraw/zinc/80/33/83/552803383.db2.gz	DMVUROZLBDCXRI-UHFFFAOYSA-N	1	1	355.410	2.011	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(ccn2CCC)c1	ZINC000293347465	552813872	/nfs/dbraw/zinc/81/38/72/552813872.db2.gz	KNQFHUVWWMUWDV-UHFFFAOYSA-N	1	1	354.454	2.061	20	30		FEEDMO
Cc1nsc(N2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)c1C#N	ZINC000293735376	552851526	/nfs/dbraw/zinc/85/15/26/552851526.db2.gz	ZPQNRGVONPXIJE-MRXNPFEDSA-N	1	1	360.458	2.188	20	30		FEEDMO
N#C[C@@]1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC12CCCC2	ZINC000294619786	552921087	/nfs/dbraw/zinc/92/10/87/552921087.db2.gz	RMLHYOFWGSNYCP-OAQYLSRUSA-N	1	1	367.497	2.184	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNc2ncc(Br)cc2C#N)CC1	ZINC000294800533	552935056	/nfs/dbraw/zinc/93/50/56/552935056.db2.gz	CEUSUBYVRPCUFN-CYBMUJFWSA-N	1	1	366.307	2.401	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc(F)cc2C#N)[C@H](C)C1	ZINC000295270239	552978978	/nfs/dbraw/zinc/97/89/78/552978978.db2.gz	RZDFEJDKHXJOCD-CXAGYDPISA-N	1	1	353.463	2.189	20	30		FEEDMO
CC(C)(C[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1)C(N)=O	ZINC000295468579	553011694	/nfs/dbraw/zinc/01/16/94/553011694.db2.gz	GABJCQCCBSYOFZ-DZGCQCFKSA-N	1	1	374.510	2.339	20	30		FEEDMO
CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1)C(N)=O	ZINC000295468579	553011697	/nfs/dbraw/zinc/01/16/97/553011697.db2.gz	GABJCQCCBSYOFZ-DZGCQCFKSA-N	1	1	374.510	2.339	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1	ZINC000296112659	553106738	/nfs/dbraw/zinc/10/67/38/553106738.db2.gz	ATFWMCYXPZIMQT-WBAXXEDZSA-N	1	1	369.469	2.340	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1	ZINC000296112659	553106739	/nfs/dbraw/zinc/10/67/39/553106739.db2.gz	ATFWMCYXPZIMQT-WBAXXEDZSA-N	1	1	369.469	2.340	20	30		FEEDMO
CCN1CCN(C(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1	ZINC000502502123	561619980	/nfs/dbraw/zinc/61/99/80/561619980.db2.gz	WRUVGRSBAGLMMK-KRWDZBQOSA-N	1	1	352.482	2.200	20	30		FEEDMO
CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1	ZINC000502502123	561619981	/nfs/dbraw/zinc/61/99/81/561619981.db2.gz	WRUVGRSBAGLMMK-KRWDZBQOSA-N	1	1	352.482	2.200	20	30		FEEDMO
CN(C)C(=O)O[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000296731335	553204178	/nfs/dbraw/zinc/20/41/78/553204178.db2.gz	NZEDMUBQGUSNSJ-CQSZACIVSA-N	1	1	364.833	2.313	20	30		FEEDMO
CO[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CC1	ZINC000296931354	553231594	/nfs/dbraw/zinc/23/15/94/553231594.db2.gz	OYGCHARFHOFRBV-IBGZPJMESA-N	1	1	356.470	2.201	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1	ZINC000296993245	553239588	/nfs/dbraw/zinc/23/95/88/553239588.db2.gz	SSLFWUOKUVPBSX-IRXDYDNUSA-N	1	1	351.397	2.049	20	30		FEEDMO
C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2C#N)CC[N@H+](C2CCC2)C1	ZINC000296999163	553240685	/nfs/dbraw/zinc/24/06/85/553240685.db2.gz	JLLDNKWXJZNZGN-CQSZACIVSA-N	1	1	365.474	2.333	20	30		FEEDMO
C[C@@H]1CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C[C@H](C)[N@@H+]1C	ZINC000297518332	553303304	/nfs/dbraw/zinc/30/33/04/553303304.db2.gz	ZKBUTYNMKNVZEY-BXXOZEPKSA-N	1	1	371.485	2.377	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](OCc4ccncc4)C3)C2=O)cc1	ZINC000298448159	553425877	/nfs/dbraw/zinc/42/58/77/553425877.db2.gz	HFEMCPBSWKMCOL-UXHICEINSA-N	1	1	362.433	2.350	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](OCc4ccncc4)C3)C2=O)cc1	ZINC000298448159	553425879	/nfs/dbraw/zinc/42/58/79/553425879.db2.gz	HFEMCPBSWKMCOL-UXHICEINSA-N	1	1	362.433	2.350	20	30		FEEDMO
CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2	ZINC000298470947	553428809	/nfs/dbraw/zinc/42/88/09/553428809.db2.gz	PLAZTCWZYIDGHU-UHFFFAOYSA-N	1	1	351.406	2.425	20	30		FEEDMO
CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)Cc1ccc2c(c1)OCO2	ZINC000298470947	553428810	/nfs/dbraw/zinc/42/88/10/553428810.db2.gz	PLAZTCWZYIDGHU-UHFFFAOYSA-N	1	1	351.406	2.425	20	30		FEEDMO
N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCC[NH+]3CCC3)cc2)c1	ZINC000503612123	561645502	/nfs/dbraw/zinc/64/55/02/561645502.db2.gz	DTZNGXKKOFSVBE-UHFFFAOYSA-N	1	1	364.405	2.111	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000299452310	553565182	/nfs/dbraw/zinc/56/51/82/553565182.db2.gz	SGLJFNRMNVEMMI-IAXIMZAJSA-N	1	1	359.470	2.381	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000299452310	553565183	/nfs/dbraw/zinc/56/51/83/553565183.db2.gz	SGLJFNRMNVEMMI-IAXIMZAJSA-N	1	1	359.470	2.381	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1NCC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000603629014	553807514	/nfs/dbraw/zinc/80/75/14/553807514.db2.gz	GGUQLXYZIWGGJV-UHFFFAOYSA-N	1	1	370.388	2.235	20	30		FEEDMO
O=C(N[C@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCCN(c2ccccc2F)C1=O	ZINC000328867056	553835877	/nfs/dbraw/zinc/83/58/77/553835877.db2.gz	GWQMJPFWNPVSDW-XJKSGUPXSA-N	1	1	360.433	2.061	20	30		FEEDMO
CC(=O)N1CCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC12CCCCC2	ZINC000328934907	553848624	/nfs/dbraw/zinc/84/86/24/553848624.db2.gz	CGAQHYCJKFSHPT-SJLPKXTDSA-N	1	1	364.534	2.496	20	30		FEEDMO
CN1CCOC[C@H]1C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1	ZINC000328993393	553861107	/nfs/dbraw/zinc/86/11/07/553861107.db2.gz	DSDVMPILWRNXMD-INIZCTEOSA-N	1	1	353.507	2.087	20	30		FEEDMO
CC1=CC[N@@H+](CCNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1	ZINC000328997216	553861674	/nfs/dbraw/zinc/86/16/74/553861674.db2.gz	KDRJKEAOVAWSJD-UHFFFAOYSA-N	1	1	362.474	2.300	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C(C)=O)C3(CCCCC3)C2)C1	ZINC000329003267	553862757	/nfs/dbraw/zinc/86/27/57/553862757.db2.gz	YBCMFLIKYNLAFV-KRWDZBQOSA-N	1	1	350.507	2.252	20	30		FEEDMO
CC(C)N1C(=O)N[C@@H]2CN(C(=O)NC[C@H](C)[N@H+]3CCC[C@@H](C)C3)CC[C@@H]21	ZINC000329011441	553864093	/nfs/dbraw/zinc/86/40/93/553864093.db2.gz	DSTKPTQAEDQMPR-TWMKSMIVSA-N	1	1	365.522	2.102	20	30		FEEDMO
CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000329097931	553880190	/nfs/dbraw/zinc/88/01/90/553880190.db2.gz	YQQJGWWIWQUAKS-NJAJRWJTSA-N	1	1	365.518	2.432	20	30		FEEDMO
C[C@]1(C[C@@H]2CCCN2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)NC(=O)NC1=O	ZINC000329242469	553909202	/nfs/dbraw/zinc/90/92/02/553909202.db2.gz	OIVSFZQKRFZEJC-MOROJQBDSA-N	1	1	363.462	2.025	20	30		FEEDMO
C[C@@H](NC(=O)N[C@@H](C)c1nnc2n1CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000329322489	553925285	/nfs/dbraw/zinc/92/52/85/553925285.db2.gz	UTTDXYBCSQSPLZ-QLFBSQMISA-N	1	1	360.506	2.442	20	30		FEEDMO
Cc1nc([C@@H]2CCCN2C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)no1	ZINC000329329369	553926456	/nfs/dbraw/zinc/92/64/56/553926456.db2.gz	VFVICPVJQXMACK-GUTXKFCHSA-N	1	1	365.478	2.317	20	30		FEEDMO
Cc1nc([C@@H]2CCCN2C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)no1	ZINC000329329369	553926460	/nfs/dbraw/zinc/92/64/60/553926460.db2.gz	VFVICPVJQXMACK-GUTXKFCHSA-N	1	1	365.478	2.317	20	30		FEEDMO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)n2)c(Cl)c1	ZINC000329352182	553930202	/nfs/dbraw/zinc/93/02/02/553930202.db2.gz	XNRCYYCEUZBFIQ-CQSZACIVSA-N	1	1	370.844	2.709	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N1CCC[C@@H]1C1CCOCC1)[NH+]1CCOCC1	ZINC000329434727	553946702	/nfs/dbraw/zinc/94/67/02/553946702.db2.gz	IXPAYDRIYJCNDE-MSOLQXFVSA-N	1	1	353.507	2.148	20	30		FEEDMO
C[C@H]1N(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCOC1(C)C	ZINC000329452128	553949821	/nfs/dbraw/zinc/94/98/21/553949821.db2.gz	LTFCCGMRBJIYRJ-HLLBOEOZSA-N	1	1	363.506	2.216	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](c4nnc[nH]4)C3)C2=O)cc1	ZINC000329468899	553952347	/nfs/dbraw/zinc/95/23/47/553952347.db2.gz	XRJFOKSYGYOBDV-DOTOQJQBSA-N	1	1	350.426	2.051	20	30		FEEDMO
CC(C)c1nc([C@@H]2COCCN2C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)no1	ZINC000329527648	553962213	/nfs/dbraw/zinc/96/22/13/553962213.db2.gz	UICGFBAHGUJIKU-GUTXKFCHSA-N	1	1	363.462	2.106	20	30		FEEDMO
C[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC[N@H+]1CC(C)(C)O	ZINC000329713841	553993530	/nfs/dbraw/zinc/99/35/30/553993530.db2.gz	SBVVEFNTTSAHTB-SQWLQELKSA-N	1	1	368.522	2.211	20	30		FEEDMO
CC(C)N1CC[C@@H](NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1=O	ZINC000329715326	553994302	/nfs/dbraw/zinc/99/43/02/553994302.db2.gz	UVPALZVWISRQHI-BPQIPLTHSA-N	1	1	358.486	2.335	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC[N@H+]1C	ZINC000329720821	553994785	/nfs/dbraw/zinc/99/47/85/553994785.db2.gz	MWJDSGPOKQINTH-QLFBSQMISA-N	1	1	373.453	2.250	20	30		FEEDMO
O=C(N[C@@H]1CCCS(=O)(=O)C1)N1CCC[N@@H+](CC2CCCCC2)CC1	ZINC000329720177	553994981	/nfs/dbraw/zinc/99/49/81/553994981.db2.gz	AHVDDCJVRSIDDU-QGZVFWFLSA-N	1	1	371.547	2.066	20	30		FEEDMO
CC[C@@H]1CN(C(=O)CCNC(=O)c2ccsc2)C[C@H]1[NH+]1CCOCC1	ZINC000329750304	553999577	/nfs/dbraw/zinc/99/95/77/553999577.db2.gz	UYCLLGPZWBCAMV-GDBMZVCRSA-N	1	1	365.499	2.012	20	30		FEEDMO
CC(C)CC(=O)N1CCC(NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1	ZINC000329800214	554007803	/nfs/dbraw/zinc/00/78/03/554007803.db2.gz	IJCIGZUIMYYCSX-WMLDXEAASA-N	1	1	350.507	2.010	20	30		FEEDMO
Cc1ccc(N(C)C2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)nn1	ZINC000329804771	554008983	/nfs/dbraw/zinc/00/89/83/554008983.db2.gz	MJBLXYHIVHSDBA-JKSUJKDBSA-N	1	1	360.506	2.082	20	30		FEEDMO
C[C@H]1CCC[N@H+](CCNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1	ZINC000329813258	554010691	/nfs/dbraw/zinc/01/06/91/554010691.db2.gz	NIILBOYFHCBXEQ-INIZCTEOSA-N	1	1	371.547	2.066	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1	ZINC000329813258	554010695	/nfs/dbraw/zinc/01/06/95/554010695.db2.gz	NIILBOYFHCBXEQ-INIZCTEOSA-N	1	1	371.547	2.066	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)C1	ZINC000329888052	554025337	/nfs/dbraw/zinc/02/53/37/554025337.db2.gz	YHJMGTDJSBLRAE-WBVHZDCISA-N	1	1	366.506	2.232	20	30		FEEDMO
CC(C)c1nnc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CCO2)o1	ZINC000329897949	554026996	/nfs/dbraw/zinc/02/69/96/554026996.db2.gz	DKSFFJGCMJZACN-ILXRZTDVSA-N	1	1	363.462	2.107	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000507320489	561724786	/nfs/dbraw/zinc/72/47/86/561724786.db2.gz	AGFQJYXKRLWUDL-BEFAXECRSA-N	1	1	351.491	2.342	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC)C2)C12CCOCC2	ZINC000329993007	554045735	/nfs/dbraw/zinc/04/57/35/554045735.db2.gz	YCFRYWRETAPASJ-YESZJQIVSA-N	1	1	353.507	2.196	20	30		FEEDMO
CC(C)NC(=O)NC1(C(=O)N2CC[NH+](C3CCC3)CC2)CCCCC1	ZINC000329994605	554046375	/nfs/dbraw/zinc/04/63/75/554046375.db2.gz	ZLZPZTLEIGVAIZ-UHFFFAOYSA-N	1	1	350.507	2.298	20	30		FEEDMO
C[C@@H]1CN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)C[C@@H]1[NH+]1CCOCC1	ZINC000330025038	554051306	/nfs/dbraw/zinc/05/13/06/554051306.db2.gz	ARGFQUGAHHBKIQ-SQNIBIBYSA-N	1	1	365.518	2.435	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCn3cnnc3[C@@H]2C)C1	ZINC000330066561	554058122	/nfs/dbraw/zinc/05/81/22/554058122.db2.gz	SZCCUDGXFPECJM-VYDXJSESSA-N	1	1	354.458	2.404	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC(c3nnc4n3CCCC4)CC2)C1	ZINC000330088039	554062227	/nfs/dbraw/zinc/06/22/27/554062227.db2.gz	NSGLIBSBHLTFBK-WBVHZDCISA-N	1	1	374.533	2.437	20	30		FEEDMO
O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N[C@H]1CCCc2c[nH]nc21	ZINC000330161993	554076249	/nfs/dbraw/zinc/07/62/49/554076249.db2.gz	UGVSEVSPYFDRGT-SFHVURJKSA-N	1	1	369.469	2.323	20	30		FEEDMO
Cc1ccc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1N1CCNC1=O	ZINC000330196845	554082864	/nfs/dbraw/zinc/08/28/64/554082864.db2.gz	QYVSROWOQSHVJV-YOEHRIQHSA-N	1	1	357.458	2.301	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F	ZINC000330197203	554083056	/nfs/dbraw/zinc/08/30/56/554083056.db2.gz	RMHXLHQKCCDXFB-RDTXWAMCSA-N	1	1	363.458	2.335	20	30		FEEDMO
Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1N1CCNC1=O	ZINC000330229842	554089132	/nfs/dbraw/zinc/08/91/32/554089132.db2.gz	WCKLFSKUWWCYEN-ZBFHGGJFSA-N	1	1	357.458	2.443	20	30		FEEDMO
Cc1ccc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1N1CCNC1=O	ZINC000330229497	554089447	/nfs/dbraw/zinc/08/94/47/554089447.db2.gz	VXBGVCQNTZVIOQ-MRXNPFEDSA-N	1	1	357.458	2.445	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3CC)cc2C1=O	ZINC000330238673	554090788	/nfs/dbraw/zinc/09/07/88/554090788.db2.gz	ZYZAQOPHIGUDJT-CVEARBPZSA-N	1	1	367.449	2.167	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1	ZINC000330317622	554103886	/nfs/dbraw/zinc/10/38/86/554103886.db2.gz	BUPBSDIFUVARBI-KYHPRHEASA-N	1	1	363.506	2.264	20	30		FEEDMO
CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000330336908	554107205	/nfs/dbraw/zinc/10/72/05/554107205.db2.gz	STUGHBMTRAWVEC-QZWWFDLISA-N	1	1	361.490	2.254	20	30		FEEDMO
CC(C)C(=O)NC1CCN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1	ZINC000330417007	554118795	/nfs/dbraw/zinc/11/87/95/554118795.db2.gz	VNFOYRHHPGRMLE-HZPDHXFCSA-N	1	1	352.523	2.257	20	30		FEEDMO
Cc1oc(S(N)(=O)=O)cc1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000330716142	554162210	/nfs/dbraw/zinc/16/22/10/554162210.db2.gz	YTHRWOAIBXODJP-TXEJJXNPSA-N	1	1	371.503	2.297	20	30		FEEDMO
COc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc(OC)c1C(C)C	ZINC000330724244	554163160	/nfs/dbraw/zinc/16/31/60/554163160.db2.gz	YVAJIFIYBBCAEB-OAHLLOKOSA-N	1	1	364.490	2.399	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cc(NC(C)=O)ccc2F)CC[N@H+]1C[C@H](C)O	ZINC000331128384	554218170	/nfs/dbraw/zinc/21/81/70/554218170.db2.gz	IGHGUVRYBXQJBY-WFASDCNBSA-N	1	1	366.437	2.107	20	30		FEEDMO
CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000331195135	554228752	/nfs/dbraw/zinc/22/87/52/554228752.db2.gz	NECQPZSUQQIKMP-LBPRGKRZSA-N	1	1	372.288	2.083	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1	ZINC000331195135	554228754	/nfs/dbraw/zinc/22/87/54/554228754.db2.gz	NECQPZSUQQIKMP-LBPRGKRZSA-N	1	1	372.288	2.083	20	30		FEEDMO
COc1cc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc(Cl)c1O	ZINC000331286784	554241763	/nfs/dbraw/zinc/24/17/63/554241763.db2.gz	UKCYLMSTEJOEID-UHFFFAOYSA-N	1	1	355.866	2.385	20	30		FEEDMO
CNC(=O)c1cccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1C	ZINC000331291845	554242382	/nfs/dbraw/zinc/24/23/82/554242382.db2.gz	KZOWNJPNCMTMIL-ZDUSSCGKSA-N	1	1	362.474	2.252	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1	ZINC000331308856	554245241	/nfs/dbraw/zinc/24/52/41/554245241.db2.gz	XLAWEGWGLYKBEM-NEPJUHHUSA-N	1	1	357.380	2.368	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[N@@H+]1C1CC1	ZINC000331436133	554264701	/nfs/dbraw/zinc/26/47/01/554264701.db2.gz	CTGRDUYVKSCLEL-PWSUYJOCSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C[N@H+]1C1CC1	ZINC000331436133	554264704	/nfs/dbraw/zinc/26/47/04/554264704.db2.gz	CTGRDUYVKSCLEL-PWSUYJOCSA-N	1	1	373.400	2.481	20	30		FEEDMO
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1	ZINC000508914275	561778241	/nfs/dbraw/zinc/77/82/41/561778241.db2.gz	SBMGOSYSXLRWJM-JKSUJKDBSA-N	1	1	363.506	2.109	20	30		FEEDMO
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1	ZINC000508914275	561778242	/nfs/dbraw/zinc/77/82/42/561778242.db2.gz	SBMGOSYSXLRWJM-JKSUJKDBSA-N	1	1	363.506	2.109	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1	ZINC000509504254	561802566	/nfs/dbraw/zinc/80/25/66/561802566.db2.gz	RLOYZOPDUYCZIF-IRXDYDNUSA-N	1	1	358.486	2.356	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1	ZINC000332273460	554414653	/nfs/dbraw/zinc/41/46/53/554414653.db2.gz	CMGRVIQZMIRDMS-XJKSGUPXSA-N	1	1	361.408	2.497	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@](O)(C(F)(F)F)CC1	ZINC000332273460	554414656	/nfs/dbraw/zinc/41/46/56/554414656.db2.gz	CMGRVIQZMIRDMS-XJKSGUPXSA-N	1	1	361.408	2.497	20	30		FEEDMO
CC1(C)CCCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C#N	ZINC000332507701	554458877	/nfs/dbraw/zinc/45/88/77/554458877.db2.gz	CCLNJWMPIYYYMH-LJQANCHMSA-N	1	1	354.498	2.345	20	30		FEEDMO
Cc1cc(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c(C#N)cc1N(C)C	ZINC000332648950	554490740	/nfs/dbraw/zinc/49/07/40/554490740.db2.gz	XZSPKCHYDZCTMM-INIZCTEOSA-N	1	1	372.517	2.080	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N=c1[nH]n(C)cc1C#N	ZINC000611228304	554617417	/nfs/dbraw/zinc/61/74/17/554617417.db2.gz	KFZARVIBXFUOSS-GJZGRUSLSA-N	1	1	352.442	2.418	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N=c1[nH]n(C)cc1C#N	ZINC000611228304	554617418	/nfs/dbraw/zinc/61/74/18/554617418.db2.gz	KFZARVIBXFUOSS-GJZGRUSLSA-N	1	1	352.442	2.418	20	30		FEEDMO
N#Cc1ccc(CN2CC[N@@H+](CCCCCn3cccn3)CC2=O)cc1	ZINC000361489308	554921381	/nfs/dbraw/zinc/92/13/81/554921381.db2.gz	GQPSQZNJNOYQNC-UHFFFAOYSA-N	1	1	351.454	2.269	20	30		FEEDMO
N#Cc1ccc(CN2CC[N@H+](CCCCCn3cccn3)CC2=O)cc1	ZINC000361489308	554921382	/nfs/dbraw/zinc/92/13/82/554921382.db2.gz	GQPSQZNJNOYQNC-UHFFFAOYSA-N	1	1	351.454	2.269	20	30		FEEDMO
C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1	ZINC000362703292	554982175	/nfs/dbraw/zinc/98/21/75/554982175.db2.gz	PYRIJDXNMAHCTJ-RXVVDRJESA-N	1	1	356.514	2.285	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1	ZINC000362703292	554982176	/nfs/dbraw/zinc/98/21/76/554982176.db2.gz	PYRIJDXNMAHCTJ-RXVVDRJESA-N	1	1	356.514	2.285	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1	ZINC000362710093	554983325	/nfs/dbraw/zinc/98/33/25/554983325.db2.gz	HXHJZUFAOGDMTB-LPHOPBHVSA-N	1	1	356.470	2.373	20	30		FEEDMO
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000511669660	561877604	/nfs/dbraw/zinc/87/76/04/561877604.db2.gz	YLBOQLJFDSEZJI-RSKUYJRESA-N	1	1	351.450	2.409	20	30		FEEDMO
CCc1nc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)no1	ZINC000363103146	555031154	/nfs/dbraw/zinc/03/11/54/555031154.db2.gz	CSSLOMSFSYBGNO-HZPDHXFCSA-N	1	1	356.426	2.123	20	30		FEEDMO
CC(C)(C)C(=O)N1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1	ZINC000363230754	555059148	/nfs/dbraw/zinc/05/91/48/555059148.db2.gz	LQASWGLZDOLPNP-UHFFFAOYSA-N	1	1	356.470	2.467	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCCN(C(=O)c3ccco3)CC2)cc1	ZINC000363380409	555090337	/nfs/dbraw/zinc/09/03/37/555090337.db2.gz	KKDDYLKXGPZOOP-UHFFFAOYSA-N	1	1	366.421	2.328	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)CCCCC1	ZINC000363468474	555113517	/nfs/dbraw/zinc/11/35/17/555113517.db2.gz	RRUKZIMVJOLEEY-SFHVURJKSA-N	1	1	374.529	2.444	20	30		FEEDMO
C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000363478546	555115745	/nfs/dbraw/zinc/11/57/45/555115745.db2.gz	AVWMUSDDCDIMGQ-AWEZNQCLSA-N	1	1	372.469	2.414	20	30		FEEDMO
C[N@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(C2CCOCC2)CC1	ZINC000363480985	555116460	/nfs/dbraw/zinc/11/64/60/555116460.db2.gz	FXNHBLIHXBPQGH-UHFFFAOYSA-N	1	1	370.497	2.462	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CCN(C2CCOCC2)CC1	ZINC000363480985	555116462	/nfs/dbraw/zinc/11/64/62/555116462.db2.gz	FXNHBLIHXBPQGH-UHFFFAOYSA-N	1	1	370.497	2.462	20	30		FEEDMO
CN(CCC(=O)Nc1ccccc1C#N)C1CC[NH+](C2CCOCC2)CC1	ZINC000363480985	555116464	/nfs/dbraw/zinc/11/64/64/555116464.db2.gz	FXNHBLIHXBPQGH-UHFFFAOYSA-N	1	1	370.497	2.462	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CC[NH+]1CCN(CC)CC1	ZINC000511970886	561887513	/nfs/dbraw/zinc/88/75/13/561887513.db2.gz	OOSXFYFUXKWXAQ-UHFFFAOYSA-N	1	1	360.458	2.137	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000363870690	555203268	/nfs/dbraw/zinc/20/32/68/555203268.db2.gz	WYDBHHZLGWEEMZ-AEFFLSMTSA-N	1	1	352.523	2.242	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000363870690	555203265	/nfs/dbraw/zinc/20/32/65/555203265.db2.gz	WYDBHHZLGWEEMZ-AEFFLSMTSA-N	1	1	352.523	2.242	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH+]1CCC(O)(c2cc(OC)cc(OC)c2)CC1	ZINC000363904655	555210624	/nfs/dbraw/zinc/21/06/24/555210624.db2.gz	VCTUEXQQFQJRJB-UHFFFAOYSA-N	1	1	374.481	2.188	20	30		FEEDMO
C#CC[N@H+](CC(=O)N1CCC(C(=O)N2CCCCC2)CC1)C1CCCC1	ZINC000363987857	555228409	/nfs/dbraw/zinc/22/84/09/555228409.db2.gz	NGJFVTZNEJQUGD-UHFFFAOYSA-N	1	1	359.514	2.115	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2nnc3n2CCC3)CC1	ZINC000364083966	555246874	/nfs/dbraw/zinc/24/68/74/555246874.db2.gz	VVDXYJNPFGTSJA-OAHLLOKOSA-N	1	1	370.501	2.135	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccccc1OCC#N	ZINC000364567246	555340547	/nfs/dbraw/zinc/34/05/47/555340547.db2.gz	ZDODKZJDXZUHIH-JFIYKMOQSA-N	1	1	357.454	2.208	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H]2Cc2ccccc2)CC1	ZINC000512450306	561905456	/nfs/dbraw/zinc/90/54/56/561905456.db2.gz	QRHVDDUEIOMCFL-SFTDATJTSA-N	1	1	368.525	2.386	20	30		FEEDMO
CCCN1CC[NH+](C2CCN(c3nc4ccccn4c3C#N)CC2)CC1	ZINC000364682797	555373841	/nfs/dbraw/zinc/37/38/41/555373841.db2.gz	QERQLZQBLRJJIG-UHFFFAOYSA-N	1	1	352.486	2.202	20	30		FEEDMO
C[C@H](CO)[N@H+]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)CC1	ZINC000364935499	555443236	/nfs/dbraw/zinc/44/32/36/555443236.db2.gz	MSUIXOBIHJJUDF-QGZVFWFLSA-N	1	1	359.470	2.022	20	30		FEEDMO
N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1	ZINC000365187263	555505613	/nfs/dbraw/zinc/50/56/13/555505613.db2.gz	RIUDYVSVPWBCQS-OLZOCXBDSA-N	1	1	366.368	2.144	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CCC[C@H]2NC(=O)OC(C)(C)C)C1	ZINC000365229512	555517065	/nfs/dbraw/zinc/51/70/65/555517065.db2.gz	QNTXEHIFVGCWEV-KHYOSLBOSA-N	1	1	351.491	2.446	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1	ZINC000365592742	555617201	/nfs/dbraw/zinc/61/72/01/555617201.db2.gz	QLXXAQVWQYQFIW-GOSISDBHSA-N	1	1	355.463	2.453	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)cn3C)[C@H](C)C2)s1	ZINC000365921346	555701739	/nfs/dbraw/zinc/70/17/39/555701739.db2.gz	POWFWMVLVQQJDL-WBMJQRKESA-N	1	1	357.483	2.302	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4ccnc(N)n4)C3)o2)cc1	ZINC000366005028	555725611	/nfs/dbraw/zinc/72/56/11/555725611.db2.gz	OOXOQLVEBYAWNG-OAHLLOKOSA-N	1	1	361.409	2.360	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4ccnc(N)n4)C3)o2)cc1	ZINC000366005028	555725613	/nfs/dbraw/zinc/72/56/13/555725613.db2.gz	OOXOQLVEBYAWNG-OAHLLOKOSA-N	1	1	361.409	2.360	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(CCN2CCOCC2)CC1	ZINC000513819221	561951057	/nfs/dbraw/zinc/95/10/57/561951057.db2.gz	RYCFLUIINQYBAR-GOSISDBHSA-N	1	1	351.535	2.234	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1	ZINC000513821410	561951553	/nfs/dbraw/zinc/95/15/53/561951553.db2.gz	IKWGGLVCENYCOL-MOPGFXCFSA-N	1	1	360.498	2.391	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4ccccn4)CC3)C2=O)cc1	ZINC000366788873	555934353	/nfs/dbraw/zinc/93/43/53/555934353.db2.gz	MBEZQEQAJSVUBS-IBGZPJMESA-N	1	1	360.417	2.465	20	30		FEEDMO
C[C@@H](C(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)[NH+]1CCSCC1	ZINC000367019109	555999151	/nfs/dbraw/zinc/99/91/51/555999151.db2.gz	GIJNKRUSWPACHF-ZDUSSCGKSA-N	1	1	355.467	2.002	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)N(C)C[C@H](C)C#N)cc1	ZINC000367139990	556002035	/nfs/dbraw/zinc/00/20/35/556002035.db2.gz	BUPWKOAOLSZOEJ-ZIAGYGMSSA-N	1	1	361.471	2.168	20	30		FEEDMO
N#Cc1ccc(S(N)(=O)=O)cc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1	ZINC000367418145	556043163	/nfs/dbraw/zinc/04/31/63/556043163.db2.gz	JTXRCRKALKQEJV-KRWDZBQOSA-N	1	1	370.478	2.282	20	30		FEEDMO
CN(CCC#N)c1ccc(CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)cc1	ZINC000367467112	556058146	/nfs/dbraw/zinc/05/81/46/556058146.db2.gz	IJWPFMHFPARARN-LEWJYISDSA-N	1	1	356.514	2.458	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H]2CN2CCC[C@@H]2CO)cc1	ZINC000367467112	556058148	/nfs/dbraw/zinc/05/81/48/556058148.db2.gz	IJWPFMHFPARARN-LEWJYISDSA-N	1	1	356.514	2.458	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]2CN2CCC[C@@H]2CO)cc1	ZINC000367467112	556058149	/nfs/dbraw/zinc/05/81/49/556058149.db2.gz	IJWPFMHFPARARN-LEWJYISDSA-N	1	1	356.514	2.458	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(-c2cnn(C)c2)c1	ZINC000367546792	556079669	/nfs/dbraw/zinc/07/96/69/556079669.db2.gz	MZBQVYYURMZVSD-MRXNPFEDSA-N	1	1	373.464	2.459	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C	ZINC000367788135	556139627	/nfs/dbraw/zinc/13/96/27/556139627.db2.gz	WCPUZLMAVPQACT-XYTVBORESA-N	1	1	350.507	2.114	20	30		FEEDMO
C#CCCCS(=O)(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000367805958	556144148	/nfs/dbraw/zinc/14/41/48/556144148.db2.gz	FHHHCSACRAHJBF-OALUTQOASA-N	1	1	362.495	2.306	20	30		FEEDMO
C#CCCCS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1	ZINC000367805958	556144150	/nfs/dbraw/zinc/14/41/50/556144150.db2.gz	FHHHCSACRAHJBF-OALUTQOASA-N	1	1	362.495	2.306	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@H](CC(N)=O)C3)sc2C1	ZINC000367987554	556188705	/nfs/dbraw/zinc/18/87/05/556188705.db2.gz	FTXGFCFIOOMGTM-OLZOCXBDSA-N	1	1	374.510	2.270	20	30		FEEDMO
Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)ccc1C#N	ZINC000515286993	562003253	/nfs/dbraw/zinc/00/32/53/562003253.db2.gz	YRBRQJYYUFJTFU-UHFFFAOYSA-N	1	1	372.450	2.168	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCN(C)[C@H](C#N)C2)cc1F	ZINC000368699743	556390213	/nfs/dbraw/zinc/39/02/13/556390213.db2.gz	IHBNCNGZDIYGKD-XJKSGUPXSA-N	1	1	370.432	2.230	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](NC(=O)C2CCC2)C1	ZINC000369061459	556493223	/nfs/dbraw/zinc/49/32/23/556493223.db2.gz	DZESZHJNHRZGOW-BPRAZLKKSA-N	1	1	374.529	2.296	20	30		FEEDMO
C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](NC(=O)C2CCC2)C1	ZINC000369061459	556493224	/nfs/dbraw/zinc/49/32/24/556493224.db2.gz	DZESZHJNHRZGOW-BPRAZLKKSA-N	1	1	374.529	2.296	20	30		FEEDMO
C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1OC	ZINC000369275595	556561104	/nfs/dbraw/zinc/56/11/04/556561104.db2.gz	XYIZELQPWHIUIU-KRWDZBQOSA-N	1	1	373.497	2.158	20	30		FEEDMO
C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1OC	ZINC000369275595	556561106	/nfs/dbraw/zinc/56/11/06/556561106.db2.gz	XYIZELQPWHIUIU-KRWDZBQOSA-N	1	1	373.497	2.158	20	30		FEEDMO
COc1ccc([C@@H]2[C@H](CNC(=O)N3CCO[C@H](C#N)C3)CCC[N@H+]2C)cc1	ZINC000369399112	556590692	/nfs/dbraw/zinc/59/06/92/556590692.db2.gz	ADZMNSFIFGGZBI-QXAKKESOSA-N	1	1	372.469	2.012	20	30		FEEDMO
CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1	ZINC000369523963	556619522	/nfs/dbraw/zinc/61/95/22/556619522.db2.gz	YBYZLEUHJQWRMW-MSOLQXFVSA-N	1	1	354.454	2.166	20	30		FEEDMO
Cc1nc2c(s1)CCC[C@H]2C[N@@H+](C)CC(=O)N(CCC#N)CCC#N	ZINC000369549494	556628574	/nfs/dbraw/zinc/62/85/74/556628574.db2.gz	IJBQPPUVRYPTAH-HNNXBMFYSA-N	1	1	359.499	2.459	20	30		FEEDMO
Cc1nc2c(s1)CCC[C@H]2C[N@H+](C)CC(=O)N(CCC#N)CCC#N	ZINC000369549494	556628576	/nfs/dbraw/zinc/62/85/76/556628576.db2.gz	IJBQPPUVRYPTAH-HNNXBMFYSA-N	1	1	359.499	2.459	20	30		FEEDMO
C#CCNC(=O)c1ccc(NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)nc1	ZINC000369561386	556631510	/nfs/dbraw/zinc/63/15/10/556631510.db2.gz	PAUPTKKTTRXFGP-KDOFPFPSSA-N	1	1	354.479	2.611	20	30		FEEDMO
C[C@@H](CCNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1	ZINC000369986819	556749809	/nfs/dbraw/zinc/74/98/09/556749809.db2.gz	PVLVUTHTPGWPOG-FXAWDEMLSA-N	1	1	369.513	2.279	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)cc1	ZINC000370008517	556756315	/nfs/dbraw/zinc/75/63/15/556756315.db2.gz	ORCHUASERVMXGD-QFIPXVFZSA-N	1	1	363.461	2.244	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCN1C1CC1	ZINC000370990709	557038410	/nfs/dbraw/zinc/03/84/10/557038410.db2.gz	IGVNHTFQZUOUPE-YLJYHZDGSA-N	1	1	370.472	2.236	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1	ZINC000371335250	557150930	/nfs/dbraw/zinc/15/09/30/557150930.db2.gz	JXIVYJKKLGBKOU-FQEVSTJZSA-N	1	1	368.481	2.468	20	30		FEEDMO
C[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CC[N@H+](C2CCC2)C1	ZINC000517469407	562090826	/nfs/dbraw/zinc/09/08/26/562090826.db2.gz	KKQSXIWEEGYARC-INIZCTEOSA-N	1	1	356.470	2.453	20	30		FEEDMO
N#CC1(c2ccccn2)CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1	ZINC000517548964	562092174	/nfs/dbraw/zinc/09/21/74/562092174.db2.gz	JOFAAIQHUIDOOF-UHFFFAOYSA-N	1	1	365.437	2.363	20	30		FEEDMO
Cn1cc([C@@H]2[C@@H](CNC(=O)c3c(F)cc(C#N)cc3F)CCC[N@H+]2C)cn1	ZINC000371897220	557323499	/nfs/dbraw/zinc/32/34/99/557323499.db2.gz	KMXHRTLKDPSYLC-ACJLOTCBSA-N	1	1	373.407	2.383	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1	ZINC000518818026	562119277	/nfs/dbraw/zinc/11/92/77/562119277.db2.gz	SZHHKJNXPJGFPA-UHFFFAOYSA-N	1	1	371.422	2.436	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1	ZINC000518835955	562119602	/nfs/dbraw/zinc/11/96/02/562119602.db2.gz	UCQSTGSSFSKEQO-SJORKVTESA-N	1	1	373.476	2.450	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c(C#N)c1C	ZINC000372557623	557503989	/nfs/dbraw/zinc/50/39/89/557503989.db2.gz	NWRQPKRXQKLJAF-SFHVURJKSA-N	1	1	360.483	2.119	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c(C#N)c1C	ZINC000372557623	557503990	/nfs/dbraw/zinc/50/39/90/557503990.db2.gz	NWRQPKRXQKLJAF-SFHVURJKSA-N	1	1	360.483	2.119	20	30		FEEDMO
CN1C(=O)C[C@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(F)cc1	ZINC000372809809	557566653	/nfs/dbraw/zinc/56/66/53/557566653.db2.gz	JMCQYZOIZNADAV-YOEHRIQHSA-N	1	1	372.425	2.259	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)ccc1OCC#N	ZINC000372983809	557603516	/nfs/dbraw/zinc/60/35/16/557603516.db2.gz	VIIDAJNOXHERCZ-XQTSXYSPSA-N	1	1	355.438	2.163	20	30		FEEDMO
C=CCN(C(=O)NCc1noc(C)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000373503465	557706263	/nfs/dbraw/zinc/70/62/63/557706263.db2.gz	DRSZRLJHSTWBAY-KRWDZBQOSA-N	1	1	355.442	2.350	20	30		FEEDMO
CN(CC1CCCCC1)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000520316183	562153302	/nfs/dbraw/zinc/15/33/02/562153302.db2.gz	SYZHFDHGQRAPKV-GOSISDBHSA-N	1	1	356.470	2.445	20	30		FEEDMO
CN(CC1CCCCC1)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000520316183	562153303	/nfs/dbraw/zinc/15/33/03/562153303.db2.gz	SYZHFDHGQRAPKV-GOSISDBHSA-N	1	1	356.470	2.445	20	30		FEEDMO
C#CC[C@H](C)NC(=O)N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000373806238	557763431	/nfs/dbraw/zinc/76/34/31/557763431.db2.gz	JQNNPIKSYLSXEK-HOTGVXAUSA-N	1	1	351.491	2.236	20	30		FEEDMO
C#CC[C@H](C)NC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000373806238	557763433	/nfs/dbraw/zinc/76/34/33/557763433.db2.gz	JQNNPIKSYLSXEK-HOTGVXAUSA-N	1	1	351.491	2.236	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O	ZINC000373965154	557797677	/nfs/dbraw/zinc/79/76/77/557797677.db2.gz	NVJHDYZMNAWXKK-HSALFYBXSA-N	1	1	366.465	2.139	20	30		FEEDMO
COc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCC#N)CC3)C2=O)c(OC)c1	ZINC000520812945	562164350	/nfs/dbraw/zinc/16/43/50/562164350.db2.gz	KIJOFYVNSSFWLX-QGZVFWFLSA-N	1	1	371.437	2.351	20	30		FEEDMO
N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)c1	ZINC000374387677	557876570	/nfs/dbraw/zinc/87/65/70/557876570.db2.gz	JRNJQWZKQYFSSE-HXUWFJFHSA-N	1	1	371.481	2.334	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000374456531	557886374	/nfs/dbraw/zinc/88/63/74/557886374.db2.gz	MYEMAJCZWCRTMP-IXDOHACOSA-N	1	1	370.563	2.155	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](CCCO[C@H]2CCCCO2)C[C@]12C(=O)Nc1ccccc12	ZINC000374861787	557942526	/nfs/dbraw/zinc/94/25/26/557942526.db2.gz	IODJMUXNJYCWMA-BPAFIMBUSA-N	1	1	355.438	2.265	20	30		FEEDMO
N#C[C@@H]1C[N@H+](CCCO[C@H]2CCCCO2)C[C@]12C(=O)Nc1ccccc12	ZINC000374861787	557942527	/nfs/dbraw/zinc/94/25/27/557942527.db2.gz	IODJMUXNJYCWMA-BPAFIMBUSA-N	1	1	355.438	2.265	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1	ZINC000375011532	557963860	/nfs/dbraw/zinc/96/38/60/557963860.db2.gz	GRXNBRXNEAPFFZ-QZTJIDSGSA-N	1	1	362.495	2.471	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1	ZINC000375011532	557963861	/nfs/dbraw/zinc/96/38/61/557963861.db2.gz	GRXNBRXNEAPFFZ-QZTJIDSGSA-N	1	1	362.495	2.471	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)cc1	ZINC000375401798	558021187	/nfs/dbraw/zinc/02/11/87/558021187.db2.gz	QCICKUFFFZIATI-HUUCEWRRSA-N	1	1	354.376	2.132	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)C1=O	ZINC000375610461	558056619	/nfs/dbraw/zinc/05/66/19/558056619.db2.gz	GHWOHGIJERRIAP-QAETUUGQSA-N	1	1	363.502	2.399	20	30		FEEDMO
C[C@@H](C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)CS(C)(=O)=O	ZINC000375746844	558076408	/nfs/dbraw/zinc/07/64/08/558076408.db2.gz	SSVCKSZROQSKCN-ZDUSSCGKSA-N	1	1	354.447	2.221	20	30		FEEDMO
C#CC[C@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1	ZINC000376208079	558141199	/nfs/dbraw/zinc/14/11/99/558141199.db2.gz	CFARIUKQPVNEKA-UXHICEINSA-N	1	1	354.498	2.172	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1	ZINC000376641021	558201996	/nfs/dbraw/zinc/20/19/96/558201996.db2.gz	IHRYGACNCMRLOC-XLIONFOSSA-N	1	1	374.529	2.155	20	30		FEEDMO
C#CCC(CC#C)C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000376901375	558236414	/nfs/dbraw/zinc/23/64/14/558236414.db2.gz	DFAVYJMTIJAPQZ-SFTDATJTSA-N	1	1	352.478	2.445	20	30		FEEDMO
C#CCC(CC#C)C(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000376901375	558236416	/nfs/dbraw/zinc/23/64/16/558236416.db2.gz	DFAVYJMTIJAPQZ-SFTDATJTSA-N	1	1	352.478	2.445	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1	ZINC000377427113	558338171	/nfs/dbraw/zinc/33/81/71/558338171.db2.gz	QAVKJJCVALIPOL-IAGOWNOFSA-N	1	1	354.454	2.169	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1	ZINC000377427114	558338249	/nfs/dbraw/zinc/33/82/49/558338249.db2.gz	QAVKJJCVALIPOL-IRXDYDNUSA-N	1	1	354.454	2.169	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)NCc1cccc(C#N)c1	ZINC000522096457	562191295	/nfs/dbraw/zinc/19/12/95/562191295.db2.gz	DDKJOQYKUZNZRK-GOSISDBHSA-N	1	1	362.477	2.381	20	30		FEEDMO
N#CC1(NC(=O)CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1	ZINC000377771267	558416786	/nfs/dbraw/zinc/41/67/86/558416786.db2.gz	FPLHVLNAVRRDQG-RTBURBONSA-N	1	1	352.482	2.003	20	30		FEEDMO
CN(C(=O)[C@@H]1CC12CC[NH+](CC(=O)Nc1ccc(C#N)cc1)CC2)C1CC1	ZINC000378468198	558564822	/nfs/dbraw/zinc/56/48/22/558564822.db2.gz	ZXRWYHVCAJXMJG-SFHVURJKSA-N	1	1	366.465	2.220	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N	ZINC000389949559	558609865	/nfs/dbraw/zinc/60/98/65/558609865.db2.gz	RSAUWFRXNQWRSH-IFXJQAMLSA-N	1	1	370.478	2.061	20	30		FEEDMO
CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1cncc(C#N)c1	ZINC000398169456	558626082	/nfs/dbraw/zinc/62/60/82/558626082.db2.gz	NWHDTNWJRXTZED-IBGZPJMESA-N	1	1	372.494	2.388	20	30		FEEDMO
C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)n1cnc(C#N)n1	ZINC000409747424	558718336	/nfs/dbraw/zinc/71/83/36/558718336.db2.gz	MZVPQNLNRXQTTN-JFIYKMOQSA-N	1	1	366.469	2.222	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)n1cnc(C#N)n1	ZINC000409777056	558719404	/nfs/dbraw/zinc/71/94/04/558719404.db2.gz	YFZSJARLZQRMBT-CABCVRRESA-N	1	1	368.441	2.070	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1	ZINC000410837999	558815523	/nfs/dbraw/zinc/81/55/23/558815523.db2.gz	ABZQTSYWBORGIZ-NRFANRHFSA-N	1	1	355.482	2.146	20	30		FEEDMO
C=CC[N@H+](CC1CCCCC1)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000411263944	558863418	/nfs/dbraw/zinc/86/34/18/558863418.db2.gz	UILBDWKNXPZGBV-DOTOQJQBSA-N	1	1	356.532	2.089	20	30		FEEDMO
C=CC[N@@H+](CC1CCCCC1)[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1	ZINC000411263944	558863420	/nfs/dbraw/zinc/86/34/20/558863420.db2.gz	UILBDWKNXPZGBV-DOTOQJQBSA-N	1	1	356.532	2.089	20	30		FEEDMO
C[N@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000411681309	558943123	/nfs/dbraw/zinc/94/31/23/558943123.db2.gz	YUTGPOHVSOQHJP-OAHLLOKOSA-N	1	1	374.510	2.479	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(NC(=O)NC)CC1	ZINC000412052653	559007162	/nfs/dbraw/zinc/00/71/62/559007162.db2.gz	GIBDALBISRHGSE-AWEZNQCLSA-N	1	1	364.515	2.045	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1	ZINC000412074429	559010040	/nfs/dbraw/zinc/01/00/40/559010040.db2.gz	RAANSCVBXUFFFC-HUUCEWRRSA-N	1	1	367.490	2.221	20	30		FEEDMO
CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C#N)CC1	ZINC000413035988	559071294	/nfs/dbraw/zinc/07/12/94/559071294.db2.gz	DCTBVXHMOZHVRS-UHFFFAOYSA-N	1	1	373.457	2.155	20	30		FEEDMO
CCN(CC)C(=O)C[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C#N)CC1	ZINC000413035988	559071295	/nfs/dbraw/zinc/07/12/95/559071295.db2.gz	DCTBVXHMOZHVRS-UHFFFAOYSA-N	1	1	373.457	2.155	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCC[NH+]1CCN(C)CC1	ZINC000413825456	559132957	/nfs/dbraw/zinc/13/29/57/559132957.db2.gz	GGEKKUPIQSGQLU-FQEVSTJZSA-N	1	1	358.530	2.453	20	30		FEEDMO
C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)[C@@H](C)C[N@H+]1CCO	ZINC000416287863	559302854	/nfs/dbraw/zinc/30/28/54/559302854.db2.gz	CJKJGUORVAZELG-SJORKVTESA-N	1	1	359.470	2.021	20	30		FEEDMO
C[C@H](C#N)S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000416399226	559310124	/nfs/dbraw/zinc/31/01/24/559310124.db2.gz	OGHFTFDQAYFGBS-BXUZGUMPSA-N	1	1	361.389	2.111	20	30		FEEDMO
C[C@H](C#N)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000416399226	559310125	/nfs/dbraw/zinc/31/01/25/559310125.db2.gz	OGHFTFDQAYFGBS-BXUZGUMPSA-N	1	1	361.389	2.111	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NCC3(C#N)CCC3)c2)CCO1	ZINC000419428214	559441684	/nfs/dbraw/zinc/44/16/84/559441684.db2.gz	AEOLGTZTSGILIA-INIZCTEOSA-N	1	1	356.470	2.400	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NCC3(C#N)CCC3)c2)CCO1	ZINC000419428214	559441685	/nfs/dbraw/zinc/44/16/85/559441685.db2.gz	AEOLGTZTSGILIA-INIZCTEOSA-N	1	1	356.470	2.400	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC[C@H](CC(F)(F)F)C2)CC1	ZINC000420943271	559513247	/nfs/dbraw/zinc/51/32/47/559513247.db2.gz	ICZXIHTUPAUKNQ-HZPDHXFCSA-N	1	1	374.451	2.343	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)CN(C)C[C@@H]2CCC[N@H+]2C)cc1	ZINC000421004255	559518865	/nfs/dbraw/zinc/51/88/65/559518865.db2.gz	NXPZWQBAMTWGPQ-SFHVURJKSA-N	1	1	358.486	2.358	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1	ZINC000422520481	559592616	/nfs/dbraw/zinc/59/26/16/559592616.db2.gz	BZTCRISTFOPWKL-VQTJNVASSA-N	1	1	371.525	2.384	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1	ZINC000422543887	559594101	/nfs/dbraw/zinc/59/41/01/559594101.db2.gz	PSAKUQYWARZEPR-RBUKOAKNSA-N	1	1	357.498	2.090	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000527299131	562284282	/nfs/dbraw/zinc/28/42/82/562284282.db2.gz	XUKGIYLPPYGEHG-OLZOCXBDSA-N	1	1	369.391	2.490	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000527299131	562284283	/nfs/dbraw/zinc/28/42/83/562284283.db2.gz	XUKGIYLPPYGEHG-OLZOCXBDSA-N	1	1	369.391	2.490	20	30		FEEDMO
C=CCn1c([C@@H]2CCCS2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000424120339	559655383	/nfs/dbraw/zinc/65/53/83/559655383.db2.gz	GIDYDVHGAOWRPO-HOTGVXAUSA-N	1	1	363.531	2.191	20	30		FEEDMO
COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)CCN2C2CC2)c1	ZINC000424177940	559656683	/nfs/dbraw/zinc/65/66/83/559656683.db2.gz	VNHYXVXBFZTGNS-GBESFXJTSA-N	1	1	356.470	2.110	20	30		FEEDMO
COCC(C)(C)[NH+]1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000424995555	559682670	/nfs/dbraw/zinc/68/26/70/559682670.db2.gz	BFVAPNGXNZNBDY-UHFFFAOYSA-N	1	1	361.511	2.361	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1	ZINC000425378408	559698737	/nfs/dbraw/zinc/69/87/37/559698737.db2.gz	BGZHHFXYMKHCTB-LZQZEXGQSA-N	1	1	368.481	2.020	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)nn1	ZINC000425423103	559701364	/nfs/dbraw/zinc/70/13/64/559701364.db2.gz	YQWVGSUNJCUKOP-DOTOQJQBSA-N	1	1	354.458	2.099	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nn1	ZINC000425469996	559703945	/nfs/dbraw/zinc/70/39/45/559703945.db2.gz	FGMUZBQUSDKQHH-SJLPKXTDSA-N	1	1	368.485	2.316	20	30		FEEDMO
C=CCn1cc(CNC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1	ZINC000425484513	559704801	/nfs/dbraw/zinc/70/48/01/559704801.db2.gz	JBZVUMRKCPMYBS-WMZOPIPTSA-N	1	1	368.485	2.174	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000425883599	559723840	/nfs/dbraw/zinc/72/38/40/559723840.db2.gz	MRCMABLJPUQGRW-IXDOHACOSA-N	1	1	370.497	2.314	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000425886979	559723979	/nfs/dbraw/zinc/72/39/79/559723979.db2.gz	QXKKRNVASYVPGB-CRAIPNDOSA-N	1	1	368.481	2.211	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1	ZINC000425886665	559724061	/nfs/dbraw/zinc/72/40/61/559724061.db2.gz	QIEJFYXGFFRODB-OAHLLOKOSA-N	1	1	356.470	2.068	20	30		FEEDMO
C=CCC[C@@H](C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1	ZINC000427776302	559762093	/nfs/dbraw/zinc/76/20/93/559762093.db2.gz	HZHIFUOPVKQGHD-LJQANCHMSA-N	1	1	357.498	2.359	20	30		FEEDMO
N#Cc1cnc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c(Cl)c1	ZINC000428551341	559778070	/nfs/dbraw/zinc/77/80/70/559778070.db2.gz	SJFIVMQGFQYWLF-HNNXBMFYSA-N	1	1	356.813	2.426	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1	ZINC000429926991	559808912	/nfs/dbraw/zinc/80/89/12/559808912.db2.gz	BAUUICDUVTYRTF-ZIAGYGMSSA-N	1	1	366.487	2.224	20	30		FEEDMO
COC(=O)COc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1	ZINC000430177497	559814815	/nfs/dbraw/zinc/81/48/15/559814815.db2.gz	MMDKFSSARZGBCT-SFHVURJKSA-N	1	1	367.405	2.158	20	30		FEEDMO
CN(C(=O)[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1)c1ccccc1	ZINC000430309719	559817518	/nfs/dbraw/zinc/81/75/18/559817518.db2.gz	XAKYALBAKCIOQA-PKOBYXMFSA-N	1	1	362.433	2.070	20	30		FEEDMO
CN(C(=O)[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1)c1ccccc1	ZINC000430309719	559817519	/nfs/dbraw/zinc/81/75/19/559817519.db2.gz	XAKYALBAKCIOQA-PKOBYXMFSA-N	1	1	362.433	2.070	20	30		FEEDMO
C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)CNc2cccc(C#N)c2)C1	ZINC000434465948	559901227	/nfs/dbraw/zinc/90/12/27/559901227.db2.gz	CJTKFQRKOBMQQP-LJQANCHMSA-N	1	1	363.465	2.346	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1	ZINC000434748316	559908373	/nfs/dbraw/zinc/90/83/73/559908373.db2.gz	RKZHOHSMQKIMLE-WBKMXMRLSA-N	1	1	371.529	2.449	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000434748316	559908374	/nfs/dbraw/zinc/90/83/74/559908374.db2.gz	RKZHOHSMQKIMLE-WBKMXMRLSA-N	1	1	371.529	2.449	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1	ZINC000434748316	559908375	/nfs/dbraw/zinc/90/83/75/559908375.db2.gz	RKZHOHSMQKIMLE-WBKMXMRLSA-N	1	1	371.529	2.449	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440483247	560011940	/nfs/dbraw/zinc/01/19/40/560011940.db2.gz	CTILQRCDUROADS-HXUWFJFHSA-N	1	1	359.470	2.463	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440483247	560011941	/nfs/dbraw/zinc/01/19/41/560011941.db2.gz	CTILQRCDUROADS-HXUWFJFHSA-N	1	1	359.470	2.463	20	30		FEEDMO
CCN1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)c(OC)c3)cn2)CC1	ZINC000440826029	560019151	/nfs/dbraw/zinc/01/91/51/560019151.db2.gz	LRSFYERZDFURIR-UHFFFAOYSA-N	1	1	365.481	2.394	20	30		FEEDMO
N#Cc1ccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)o1	ZINC000441354868	560029211	/nfs/dbraw/zinc/02/92/11/560029211.db2.gz	IWHXYYPVOGNYPS-UHFFFAOYSA-N	1	1	357.794	2.012	20	30		FEEDMO
O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000441994843	560042064	/nfs/dbraw/zinc/04/20/64/560042064.db2.gz	XESWNKAAWCUSCO-FQEVSTJZSA-N	1	1	373.456	2.378	20	30		FEEDMO
CC(C)[C@@H](C(=O)OC(C)(C)C)N1CC[C@H]([NH2+]Cc2ccc(C#N)o2)C1=O	ZINC000442997913	560065502	/nfs/dbraw/zinc/06/55/02/560065502.db2.gz	CHBQRZXQEWXVET-HOTGVXAUSA-N	1	1	361.442	2.208	20	30		FEEDMO
CC1(C)CCC[N@@H+](CCNS(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000443955122	560097423	/nfs/dbraw/zinc/09/74/23/560097423.db2.gz	BVIZGMCGUSPXIM-UHFFFAOYSA-N	1	1	353.463	2.239	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](OCCOC)C1	ZINC000444749824	560119537	/nfs/dbraw/zinc/11/95/37/560119537.db2.gz	VSPPXTSBWYYESP-HZPDHXFCSA-N	1	1	352.500	2.389	20	30		FEEDMO
COc1ccccc1CN1C(=O)C[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1=O	ZINC000448554307	560189898	/nfs/dbraw/zinc/18/98/98/560189898.db2.gz	HFTLPKLKLMFXIK-SFHVURJKSA-N	1	1	363.417	2.326	20	30		FEEDMO
COc1ccccc1CN1C(=O)C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1=O	ZINC000448554307	560189899	/nfs/dbraw/zinc/18/98/99/560189899.db2.gz	HFTLPKLKLMFXIK-SFHVURJKSA-N	1	1	363.417	2.326	20	30		FEEDMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)c2cc(C#N)[nH]c2C)c1	ZINC000448890031	560205209	/nfs/dbraw/zinc/20/52/09/560205209.db2.gz	FTZDTMRUPPOYNV-UHFFFAOYSA-N	1	1	370.453	2.082	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000450150735	560252299	/nfs/dbraw/zinc/25/22/99/560252299.db2.gz	ZOCCMCNUMOGXIM-MSOLQXFVSA-N	1	1	363.889	2.169	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)COc1cccc(Br)c1C#N	ZINC000450347682	560259382	/nfs/dbraw/zinc/25/93/82/560259382.db2.gz	IRWQDADSQPYOHB-VXGBXAGGSA-N	1	1	366.259	2.251	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC[N@@H+]1C	ZINC000450372883	560260374	/nfs/dbraw/zinc/26/03/74/560260374.db2.gz	BBMQUBXHRKQDPJ-VNHYZAJKSA-N	1	1	374.872	2.116	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](CO)[C@@H]2CC)cc1	ZINC000451257693	560296359	/nfs/dbraw/zinc/29/63/59/560296359.db2.gz	VUEPAEVTPPFIRF-APWZRJJASA-N	1	1	359.470	2.425	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)CC1(CC#N)CC1	ZINC000451280196	560297841	/nfs/dbraw/zinc/29/78/41/560297841.db2.gz	GHRVFQSRBMXUDM-SFHVURJKSA-N	1	1	361.511	2.464	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@@H](C)C1	ZINC000451678782	560321556	/nfs/dbraw/zinc/32/15/56/560321556.db2.gz	NRBIYVODYJRFSZ-DZGCQCFKSA-N	1	1	374.872	2.117	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+](CCC(N)=O)[C@H]1CCOc2ccccc21	ZINC000451723559	560324691	/nfs/dbraw/zinc/32/46/91/560324691.db2.gz	JPYSWQJOIOAEOW-KRWDZBQOSA-N	1	1	359.470	2.112	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+](CCC(N)=O)[C@H]1CCOc2ccccc21	ZINC000451723559	560324692	/nfs/dbraw/zinc/32/46/92/560324692.db2.gz	JPYSWQJOIOAEOW-KRWDZBQOSA-N	1	1	359.470	2.112	20	30		FEEDMO
CC(C)OCCOC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000451953767	560340453	/nfs/dbraw/zinc/34/04/53/560340453.db2.gz	VCFQDRSECHYOGC-UHFFFAOYSA-N	1	1	359.470	2.080	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1CCN(CC(F)(F)F)CC1	ZINC000452042102	560347251	/nfs/dbraw/zinc/34/72/51/560347251.db2.gz	SZMMSGKERLGEBU-UHFFFAOYSA-N	1	1	368.403	2.133	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1	ZINC000453653722	560393710	/nfs/dbraw/zinc/39/37/10/560393710.db2.gz	HKHZAFLXZTVVRK-QGZVFWFLSA-N	1	1	354.454	2.186	20	30		FEEDMO
CC(C)(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1C#N	ZINC000453655448	560393901	/nfs/dbraw/zinc/39/39/01/560393901.db2.gz	SPZMOKNOWGQMLM-HNNXBMFYSA-N	1	1	370.453	2.027	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+]1C	ZINC000453713420	560398996	/nfs/dbraw/zinc/39/89/96/560398996.db2.gz	IFBARBBEZMUTEX-TZMCWYRMSA-N	1	1	362.861	2.286	20	30		FEEDMO
CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]1C	ZINC000453714305	560399034	/nfs/dbraw/zinc/39/90/34/560399034.db2.gz	JRIRJGLNDAWTST-STQMWFEESA-N	1	1	362.861	2.286	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[C@@H]1C	ZINC000453714305	560399035	/nfs/dbraw/zinc/39/90/35/560399035.db2.gz	JRIRJGLNDAWTST-STQMWFEESA-N	1	1	362.861	2.286	20	30		FEEDMO
CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H]1C	ZINC000453714300	560399040	/nfs/dbraw/zinc/39/90/40/560399040.db2.gz	JRIRJGLNDAWTST-CHWSQXEVSA-N	1	1	362.861	2.286	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C[C@H]1C	ZINC000453714300	560399041	/nfs/dbraw/zinc/39/90/41/560399041.db2.gz	JRIRJGLNDAWTST-CHWSQXEVSA-N	1	1	362.861	2.286	20	30		FEEDMO
CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@@H+]1C	ZINC000453719967	560399379	/nfs/dbraw/zinc/39/93/79/560399379.db2.gz	ILMCVVKSEFUJKI-INIZCTEOSA-N	1	1	362.861	2.143	20	30		FEEDMO
CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC#N)cc2Cl)CC[N@H+]1C	ZINC000453719967	560399380	/nfs/dbraw/zinc/39/93/80/560399380.db2.gz	ILMCVVKSEFUJKI-INIZCTEOSA-N	1	1	362.861	2.143	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC2(C)C)cc1C#N	ZINC000454064969	560426038	/nfs/dbraw/zinc/42/60/38/560426038.db2.gz	DUWOLWQQCFGLEC-UHFFFAOYSA-N	1	1	372.469	2.275	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1	ZINC000454119747	560430843	/nfs/dbraw/zinc/43/08/43/560430843.db2.gz	ZEMFHIJNORTVEY-UHFFFAOYSA-N	1	1	372.469	2.275	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1C#N	ZINC000454999138	560466794	/nfs/dbraw/zinc/46/67/94/560466794.db2.gz	NTYZWEXVBNPARB-QGZVFWFLSA-N	1	1	360.458	2.314	20	30		FEEDMO
CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000456393316	560519043	/nfs/dbraw/zinc/51/90/43/560519043.db2.gz	XVVUIMJQICMJMD-OALUTQOASA-N	1	1	369.513	2.421	20	30		FEEDMO
C=CCC[C@@H](NC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C(=O)OCC	ZINC000456631653	560526494	/nfs/dbraw/zinc/52/64/94/560526494.db2.gz	SNKWDZUYESMUMX-LJQANCHMSA-N	1	1	373.497	2.062	20	30		FEEDMO
C=C(C)[C@H]1OCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000457467925	560568584	/nfs/dbraw/zinc/56/85/84/560568584.db2.gz	WZFLLJCHCGVHML-NHCUHLMSSA-N	1	1	371.525	2.422	20	30		FEEDMO
C=C(C)CCNC(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1	ZINC000459007037	560661569	/nfs/dbraw/zinc/66/15/69/560661569.db2.gz	SCISMHKMZPAXPB-GJZGRUSLSA-N	1	1	364.469	2.067	20	30		FEEDMO
C=CCCCCCN(C)C(=O)NCC1([NH+]2CCOCC2)CCOCC1	ZINC000459215738	560674564	/nfs/dbraw/zinc/67/45/64/560674564.db2.gz	TTZCEBBJCBAGMF-UHFFFAOYSA-N	1	1	353.507	2.256	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1	ZINC000459821143	560710824	/nfs/dbraw/zinc/71/08/24/560710824.db2.gz	KKOJUODXGPCHAK-UXHICEINSA-N	1	1	369.509	2.392	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1	ZINC000459912470	560718865	/nfs/dbraw/zinc/71/88/65/560718865.db2.gz	YBFYRUVKJUJBPP-MOPGFXCFSA-N	1	1	355.482	2.144	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C	ZINC000460563388	560746407	/nfs/dbraw/zinc/74/64/07/560746407.db2.gz	VHAGOEHYQDQKCW-ULQDDVLXSA-N	1	1	365.522	2.497	20	30		FEEDMO
C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1	ZINC000460796501	560752108	/nfs/dbraw/zinc/75/21/08/560752108.db2.gz	VJOFLECZLJSORZ-GOSISDBHSA-N	1	1	370.501	2.330	20	30		FEEDMO
C[N@@H+](CCc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C#N)c1)C1CC1	ZINC000461775554	560782836	/nfs/dbraw/zinc/78/28/36/560782836.db2.gz	LAQZSPRDMULBIS-CRAIPNDOSA-N	1	1	354.454	2.070	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000461852232	560785489	/nfs/dbraw/zinc/78/54/89/560785489.db2.gz	JSVNYFFJQBNLQU-QLFBSQMISA-N	1	1	352.442	2.647	20	30		FEEDMO
C[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1cccc(C#N)c1	ZINC000462046622	560793947	/nfs/dbraw/zinc/79/39/47/560793947.db2.gz	KQBXXKRWSZYDIM-PXNSSMCTSA-N	1	1	354.498	2.290	20	30		FEEDMO
COc1cc(CNC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)ccc1C#N	ZINC000462472433	560811427	/nfs/dbraw/zinc/81/14/27/560811427.db2.gz	ISIIMWKFZTWTKT-UHFFFAOYSA-N	1	1	374.485	2.067	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000464572253	560845685	/nfs/dbraw/zinc/84/56/85/560845685.db2.gz	QXNMUJYGDANBAX-KRWDZBQOSA-N	1	1	357.454	2.228	20	30		FEEDMO
CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000464572253	560845686	/nfs/dbraw/zinc/84/56/86/560845686.db2.gz	QXNMUJYGDANBAX-KRWDZBQOSA-N	1	1	357.454	2.228	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000466761540	560894816	/nfs/dbraw/zinc/89/48/16/560894816.db2.gz	DFTFNROLNIUTIJ-KBXCAEBGSA-N	1	1	371.460	2.012	20	30		FEEDMO
CCC[C@H]1CN(C(=O)NCCc2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000466809197	560896261	/nfs/dbraw/zinc/89/62/61/560896261.db2.gz	MDRQWTRINHSERP-IBGZPJMESA-N	1	1	358.486	2.243	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000467130302	560904240	/nfs/dbraw/zinc/90/42/40/560904240.db2.gz	GKDIXXZGZZZWTL-BETUJISGSA-N	1	1	371.453	2.483	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2c(F)cc(C#N)cc2F)C1	ZINC000467130302	560904241	/nfs/dbraw/zinc/90/42/41/560904241.db2.gz	GKDIXXZGZZZWTL-BETUJISGSA-N	1	1	371.453	2.483	20	30		FEEDMO
C=CCC(CC=C)C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000467817374	560918007	/nfs/dbraw/zinc/91/80/07/560918007.db2.gz	MBKHXMOSSOKQGG-UHFFFAOYSA-N	1	1	355.482	2.215	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NCCNc3cccc(C)[nH+]3)cc2C1=O	ZINC000469584420	560959050	/nfs/dbraw/zinc/95/90/50/560959050.db2.gz	GMRLPYKERWRJAW-UHFFFAOYSA-N	1	1	364.405	2.014	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C1	ZINC000469769207	560964179	/nfs/dbraw/zinc/96/41/79/560964179.db2.gz	NSPROWLZRREBCG-XSYGEPLQSA-N	1	1	366.550	2.156	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(=O)OC)[C@H]2C)c(OC)c1	ZINC000470003324	560971602	/nfs/dbraw/zinc/97/16/02/560971602.db2.gz	QDWLDBROGJTMDG-DJIMGWMZSA-N	1	1	363.454	2.047	20	30		FEEDMO
C=CCOCCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1	ZINC000470780807	560989565	/nfs/dbraw/zinc/98/95/65/560989565.db2.gz	IOLODDZQKMDBHA-INIZCTEOSA-N	1	1	356.463	2.161	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[N@H+](C)CC[C@@H]3C)C2)n1	ZINC000471953475	561014895	/nfs/dbraw/zinc/01/48/95/561014895.db2.gz	QLEADHPNSNRUTK-FUHWJXTLSA-N	1	1	355.486	2.031	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000473835903	561058678	/nfs/dbraw/zinc/05/86/78/561058678.db2.gz	JTOWEJRXAHLFDS-OAQYLSRUSA-N	1	1	359.514	2.496	20	30		FEEDMO
Cn1ncc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)c1C#N	ZINC000474284639	561070095	/nfs/dbraw/zinc/07/00/95/561070095.db2.gz	OQFCRYOLMNWDEN-UHFFFAOYSA-N	1	1	359.433	2.403	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COc2cc(Cl)ccc2C#N)C1	ZINC000474327067	561071381	/nfs/dbraw/zinc/07/13/81/561071381.db2.gz	BZYMVIHTIXMZQI-INIZCTEOSA-N	1	1	365.861	2.063	20	30		FEEDMO
CCOC(=O)c1coc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000475211092	561093004	/nfs/dbraw/zinc/09/30/04/561093004.db2.gz	VVLCNVVOOBVWHM-SFHVURJKSA-N	1	1	367.405	2.219	20	30		FEEDMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCCOc2cccc(C#N)c2)C1	ZINC000477139692	561137762	/nfs/dbraw/zinc/13/77/62/561137762.db2.gz	QHUKYDIADKLOJM-SJLPKXTDSA-N	1	1	359.470	2.190	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1	ZINC000528418173	562328172	/nfs/dbraw/zinc/32/81/72/562328172.db2.gz	COEXQHKQXRTPFO-KNQAVFIVSA-N	1	1	364.445	2.472	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1	ZINC000528418173	562328173	/nfs/dbraw/zinc/32/81/73/562328173.db2.gz	COEXQHKQXRTPFO-KNQAVFIVSA-N	1	1	364.445	2.472	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC34CCOCC4)CC2)cc1	ZINC000530885142	562427245	/nfs/dbraw/zinc/42/72/45/562427245.db2.gz	ASFUQAPDJGTXOF-IBGZPJMESA-N	1	1	353.466	2.409	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC34CCOCC4)CC2)cc1	ZINC000530885142	562427246	/nfs/dbraw/zinc/42/72/46/562427246.db2.gz	ASFUQAPDJGTXOF-IBGZPJMESA-N	1	1	353.466	2.409	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Cc2cccc(C#N)c2)CC1	ZINC000530915087	562428565	/nfs/dbraw/zinc/42/85/65/562428565.db2.gz	NOJMGZAEZXRYHF-HDICACEKSA-N	1	1	354.498	2.118	20	30		FEEDMO
COC(=O)CN(CC#N)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000531055309	562433390	/nfs/dbraw/zinc/43/33/90/562433390.db2.gz	SZAAOEOMJJMRCD-UHFFFAOYSA-N	1	1	365.433	2.214	20	30		FEEDMO
N#Cc1cccc(CC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1	ZINC000531386511	562444388	/nfs/dbraw/zinc/44/43/88/562444388.db2.gz	HUDAFBMPOYHDST-UHFFFAOYSA-N	1	1	366.440	2.178	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2ccc3ccccc3c2)C1=O	ZINC000531706200	562454361	/nfs/dbraw/zinc/45/43/61/562454361.db2.gz	IYIRZBFJTHGUTB-AZUAARDMSA-N	1	1	354.450	2.298	20	30		FEEDMO
CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1	ZINC000532043193	562464910	/nfs/dbraw/zinc/46/49/10/562464910.db2.gz	CTFSGKRQDASPLF-UHFFFAOYSA-N	1	1	362.861	2.483	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)C3(C#N)CC(C)C3)cc2)CC1	ZINC000532065019	562465776	/nfs/dbraw/zinc/46/57/76/562465776.db2.gz	QJADGEOKOUYNHT-UHFFFAOYSA-N	1	1	354.498	2.380	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000532938626	562493147	/nfs/dbraw/zinc/49/31/47/562493147.db2.gz	VATAPYDJUIBMRO-JCGIZDLHSA-N	1	1	356.470	2.101	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000532938626	562493148	/nfs/dbraw/zinc/49/31/48/562493148.db2.gz	VATAPYDJUIBMRO-JCGIZDLHSA-N	1	1	356.470	2.101	20	30		FEEDMO
COC(=O)c1ccc(C[N@H+](C)CC(=O)NCc2cccc(C#N)c2)cc1	ZINC000533035416	562496265	/nfs/dbraw/zinc/49/62/65/562496265.db2.gz	YTFVPVLOEVNBQP-UHFFFAOYSA-N	1	1	351.406	2.093	20	30		FEEDMO
COC(=O)c1ccc(C[N@@H+](C)CC(=O)NCc2cccc(C#N)c2)cc1	ZINC000533035416	562496266	/nfs/dbraw/zinc/49/62/66/562496266.db2.gz	YTFVPVLOEVNBQP-UHFFFAOYSA-N	1	1	351.406	2.093	20	30		FEEDMO
C=C1CC[NH+](CC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)CC1	ZINC000533417867	562508320	/nfs/dbraw/zinc/50/83/20/562508320.db2.gz	YHEKEFYLEDBNKV-UHFFFAOYSA-N	1	1	355.482	2.368	20	30		FEEDMO
C[C@@H]1C[C@H](CCNC(=O)N2CCO[C@H](C#N)C2)C[N@H+]1Cc1ccccc1	ZINC000533578397	562513720	/nfs/dbraw/zinc/51/37/20/562513720.db2.gz	ADFLEHFEMGHPHP-NZSAHSFTSA-N	1	1	356.470	2.221	20	30		FEEDMO
CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cccc(C(=O)OC)c1C#N)CC2	ZINC000535205284	562553096	/nfs/dbraw/zinc/55/30/96/562553096.db2.gz	GZHLOJZQTSNYGS-ZWKOTPCHSA-N	1	1	358.438	2.097	20	30		FEEDMO
N#CCC1CCN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1	ZINC000540989837	562599601	/nfs/dbraw/zinc/59/96/01/562599601.db2.gz	CSDMDFCUHLUWSX-UHFFFAOYSA-N	1	1	356.470	2.354	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H](C)N1CC#N	ZINC000602858160	568002890	/nfs/dbraw/zinc/00/28/90/568002890.db2.gz	ZPWLDUGLZZRQQO-ZDWTUXFCSA-N	1	1	357.498	2.360	20	30		FEEDMO
N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](Oc3cncc(Br)c3)C2)CC1	ZINC000602886099	568005774	/nfs/dbraw/zinc/00/57/74/568005774.db2.gz	JCAZKSRLLRWFRA-KGLIPLIRSA-N	1	1	366.259	2.352	20	30		FEEDMO
C=CC(C)(C)CCNC(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1	ZINC000636774684	568034863	/nfs/dbraw/zinc/03/48/63/568034863.db2.gz	JECLTLMKRQTFOX-UHFFFAOYSA-N	1	1	358.486	2.325	20	30		FEEDMO
CC(C)CN1CCC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000570955799	568254164	/nfs/dbraw/zinc/25/41/64/568254164.db2.gz	HWQMXJXFDBQOTF-GOSISDBHSA-N	1	1	363.527	2.290	20	30		FEEDMO
COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)COc1ccc(C#N)cc1	ZINC000569617311	568410271	/nfs/dbraw/zinc/41/02/71/568410271.db2.gz	ZGEILUYFLCPKRD-SFHVURJKSA-N	1	1	351.406	2.119	20	30		FEEDMO
C[C@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC[N@H+](C2CCC2)C1	ZINC000570826124	568544594	/nfs/dbraw/zinc/54/45/94/568544594.db2.gz	QIZURECINASPGN-UZLBHIALSA-N	1	1	352.482	2.470	20	30		FEEDMO
CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000736799058	598945763	/nfs/dbraw/zinc/94/57/63/598945763.db2.gz	OAHRKLBWNGITQP-UHFFFAOYSA-N	1	1	361.453	2.302	20	30		FEEDMO
CN(CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C#N)cc1	ZINC000736799058	598945765	/nfs/dbraw/zinc/94/57/65/598945765.db2.gz	OAHRKLBWNGITQP-UHFFFAOYSA-N	1	1	361.453	2.302	20	30		FEEDMO
CN(CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C#N)cc1	ZINC000736799058	598945767	/nfs/dbraw/zinc/94/57/67/598945767.db2.gz	OAHRKLBWNGITQP-UHFFFAOYSA-N	1	1	361.453	2.302	20	30		FEEDMO
C=CC[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000735409042	599213573	/nfs/dbraw/zinc/21/35/73/599213573.db2.gz	AVVCXLACGDZMFO-HNNXBMFYSA-N	1	1	369.473	2.049	20	30		FEEDMO
C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000557823584	674468768	/nfs/dbraw/zinc/46/87/68/674468768.db2.gz	DMADMGJPZVAZBZ-LLVKDONJSA-N	1	1	372.288	2.035	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000557823584	674468769	/nfs/dbraw/zinc/46/87/69/674468769.db2.gz	DMADMGJPZVAZBZ-LLVKDONJSA-N	1	1	372.288	2.035	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1	ZINC000558059436	674481671	/nfs/dbraw/zinc/48/16/71/674481671.db2.gz	OYSOEDPJSCGUER-KRWDZBQOSA-N	1	1	363.889	2.455	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1	ZINC000558059436	674481672	/nfs/dbraw/zinc/48/16/72/674481672.db2.gz	OYSOEDPJSCGUER-KRWDZBQOSA-N	1	1	363.889	2.455	20	30		FEEDMO
COC(=O)C[C@@]1([NH2+]Cc2ccc(Br)cc2C#N)CCOC1	ZINC000558117062	674483493	/nfs/dbraw/zinc/48/34/93/674483493.db2.gz	ODTRSPMDNPHVEV-HNNXBMFYSA-N	1	1	353.216	2.133	20	30		FEEDMO
N#Cc1nc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1C(F)(F)F	ZINC000558570437	674503899	/nfs/dbraw/zinc/50/38/99/674503899.db2.gz	KKRCIOWVDWNOMO-UKRRQHHQSA-N	1	1	354.376	3.027	20	30		FEEDMO
C=CC[N@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1cccc(-c2nn[nH]n2)c1	ZINC000823914171	608631231	/nfs/dbraw/zinc/63/12/31/608631231.db2.gz	CEXKKDCRTDUIGB-UHFFFAOYSA-N	1	1	352.398	2.170	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000561424408	674664827	/nfs/dbraw/zinc/66/48/27/674664827.db2.gz	DWWARQVSVRMVJC-HNNXBMFYSA-N	1	1	361.511	2.396	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1ccc(F)cc1	ZINC000561547264	674678007	/nfs/dbraw/zinc/67/80/07/674678007.db2.gz	MHVDLFZHXVZIJB-MRXNPFEDSA-N	1	1	365.405	2.418	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](N2CCCC2=O)CC1	ZINC000563232961	674863074	/nfs/dbraw/zinc/86/30/74/674863074.db2.gz	MSBXTNHHHFBBBB-HNNXBMFYSA-N	1	1	360.483	2.425	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN1c1nc(C#N)c(Cl)s1	ZINC001048710938	675013579	/nfs/dbraw/zinc/01/35/79/675013579.db2.gz	MOFTYGVIGLIHBA-NTZNESFSSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncc(C)s3)C[C@@H]2C1	ZINC001048826615	675015987	/nfs/dbraw/zinc/01/59/87/675015987.db2.gz	KOEWDCXVHJKDLU-TWMKSMIVSA-N	1	1	361.511	2.323	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3csc(CC)n3)C[C@@H]2C1	ZINC001049069257	675022278	/nfs/dbraw/zinc/02/22/78/675022278.db2.gz	QMZAOBDCLDMBQW-WTTBNOFXSA-N	1	1	361.511	2.187	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3csc(CC)n3)C[C@@H]2C1	ZINC001049069257	675022279	/nfs/dbraw/zinc/02/22/79/675022279.db2.gz	QMZAOBDCLDMBQW-WTTBNOFXSA-N	1	1	361.511	2.187	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]2C1	ZINC001049069764	675022427	/nfs/dbraw/zinc/02/24/27/675022427.db2.gz	PTIMQUYFDCLYFL-NONVJHHQSA-N	1	1	357.479	2.101	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(Cc2ccc(Br)cc2C#N)[C@@H](C)C1	ZINC000565098187	675094461	/nfs/dbraw/zinc/09/44/61/675094461.db2.gz	JEWCAWRZGAATRR-QWHCGFSZSA-N	1	1	352.276	2.208	20	30		FEEDMO
CCOC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000052868845	670318830	/nfs/dbraw/zinc/31/88/30/670318830.db2.gz	AGDGJBULYYODJD-CYBMUJFWSA-N	1	1	350.444	2.159	20	30		FEEDMO
C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCCC)c1	ZINC000565564488	675132547	/nfs/dbraw/zinc/13/25/47/675132547.db2.gz	WLEIZOJDTBYVSX-HNNXBMFYSA-N	1	1	367.515	2.001	20	30		FEEDMO
C=CCN1CC[C@H]([NH+]2CCN(c3cccc(Br)c3)CC2)C1=O	ZINC000576127756	671345990	/nfs/dbraw/zinc/34/59/90/671345990.db2.gz	CGWIRSFMTHSYFB-INIZCTEOSA-N	1	1	364.287	2.358	20	30		FEEDMO
C=CCn1c(CC(F)(F)F)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000577064188	671414134	/nfs/dbraw/zinc/41/41/34/671414134.db2.gz	QICXKEAZKYAJKL-BETUJISGSA-N	1	1	361.412	2.114	20	30		FEEDMO
C=CCn1c(CC(F)(F)F)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000577064188	671414136	/nfs/dbraw/zinc/41/41/36/671414136.db2.gz	QICXKEAZKYAJKL-BETUJISGSA-N	1	1	361.412	2.114	20	30		FEEDMO
CCNC(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000609144130	675911824	/nfs/dbraw/zinc/91/18/24/675911824.db2.gz	MYXPTWKQNXBQCW-LBPRGKRZSA-N	1	1	362.499	2.141	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)C2CCC(F)(F)CC2)CC1	ZINC000583923547	672139612	/nfs/dbraw/zinc/13/96/12/672139612.db2.gz	UKFLLVWBVONQFV-MRXNPFEDSA-N	1	1	356.461	2.188	20	30		FEEDMO
C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000588314688	672462352	/nfs/dbraw/zinc/46/23/52/672462352.db2.gz	IYDNBBYFBSAMEO-YGRLFVJLSA-N	1	1	367.247	2.161	20	30		FEEDMO
C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000588314688	672462354	/nfs/dbraw/zinc/46/23/54/672462354.db2.gz	IYDNBBYFBSAMEO-YGRLFVJLSA-N	1	1	367.247	2.161	20	30		FEEDMO
C[N@H+]1C[C@H]2CCN(C(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)[C@@H]2C1	ZINC000590278484	672569493	/nfs/dbraw/zinc/56/94/93/672569493.db2.gz	LGEHGXVICQYBSZ-BXUZGUMPSA-N	1	1	360.483	2.018	20	30		FEEDMO
C=C(C)[C@@H](CO)[NH+]1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1	ZINC000590700539	672603519	/nfs/dbraw/zinc/60/35/19/672603519.db2.gz	IEZAZAYTCVVMHG-SJORKVTESA-N	1	1	352.862	2.109	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(C(=O)Cc3ccc(Br)cc3C#N)C2)C1	ZINC000593162501	672885398	/nfs/dbraw/zinc/88/53/98/672885398.db2.gz	KAJXJHWIEKHAKI-KRWDZBQOSA-N	1	1	362.271	2.417	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)C(=O)Cc1ccc(Br)cc1C#N	ZINC000593175177	672886993	/nfs/dbraw/zinc/88/69/93/672886993.db2.gz	FCNUTJMSWUOZSA-OAHLLOKOSA-N	1	1	350.260	2.416	20	30		FEEDMO
N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1	ZINC000593415862	672920635	/nfs/dbraw/zinc/92/06/35/672920635.db2.gz	SCLJQDSXUSOCEE-LBPRGKRZSA-N	1	1	362.271	2.464	20	30		FEEDMO
COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCOc2cccc(F)c2C1	ZINC000328739803	673066012	/nfs/dbraw/zinc/06/60/12/673066012.db2.gz	MUSBVVGWEDBWCT-CQSZACIVSA-N	1	1	351.422	2.045	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)[N@H+](C)C1	ZINC000329001063	673070978	/nfs/dbraw/zinc/07/09/78/673070978.db2.gz	XMCVIVFNCNVBMN-BBRMVZONSA-N	1	1	353.850	2.484	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCOCC2)[N@@H+](C)C1	ZINC000329001063	673070984	/nfs/dbraw/zinc/07/09/84/673070984.db2.gz	XMCVIVFNCNVBMN-BBRMVZONSA-N	1	1	353.850	2.484	20	30		FEEDMO
CCc1csc([C@@H]2CCCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2)n1	ZINC000329526982	673078941	/nfs/dbraw/zinc/07/89/41/673078941.db2.gz	HQZWTZPLPDGUPJ-ZBFHGGJFSA-N	1	1	365.547	2.045	20	30		FEEDMO
CC[N@H+]1CC[C@H]2OCCN(C(=O)CNC(=O)CC3CCCCC3)[C@H]2C1	ZINC000329575919	673079346	/nfs/dbraw/zinc/07/93/46/673079346.db2.gz	VRFCJYGZROHVMP-DLBZAZTESA-N	1	1	351.491	2.235	20	30		FEEDMO
C=CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccsc3C(=O)OC)C2=O)C1	ZINC000594659568	673109704	/nfs/dbraw/zinc/10/97/04/673109704.db2.gz	FNMDWWSESVGZIQ-GXTWGEPZSA-N	1	1	362.451	2.455	20	30		FEEDMO
C=CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccsc3C(=O)OC)C2=O)C1	ZINC000594659568	673109706	/nfs/dbraw/zinc/10/97/06/673109706.db2.gz	FNMDWWSESVGZIQ-GXTWGEPZSA-N	1	1	362.451	2.455	20	30		FEEDMO
N#Cc1ccc(CC[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1	ZINC000595428595	673249642	/nfs/dbraw/zinc/24/96/42/673249642.db2.gz	FVZVAXIXXKGPJC-IBGZPJMESA-N	1	1	361.511	2.427	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CCNC(=O)N2CCN(c3ccsc3C#N)CC2)C1	ZINC000595642982	673277687	/nfs/dbraw/zinc/27/76/87/673277687.db2.gz	DSTVTVMBBSECQE-HNNXBMFYSA-N	1	1	361.515	2.183	20	30		FEEDMO
C#Cc1cccc(NC(=S)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1	ZINC000730467171	673281571	/nfs/dbraw/zinc/28/15/71/673281571.db2.gz	BNXIXFZSDBBPCM-IBGZPJMESA-N	1	1	356.539	2.467	20	30		FEEDMO
C=C[C@H](CO)[NH2+][C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000595863798	673331931	/nfs/dbraw/zinc/33/19/31/673331931.db2.gz	JKDLNIZQFORRFY-ZYHUDNBSSA-N	1	1	362.411	2.182	20	30		FEEDMO
C[N@H+](CCc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1)C1CC1	ZINC000540330553	673534005	/nfs/dbraw/zinc/53/40/05/673534005.db2.gz	CPOCVSHDQNRIMO-UHFFFAOYSA-N	1	1	356.451	2.391	20	30		FEEDMO
C[N@@H+](CCc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1)C1CC1	ZINC000540330553	673534008	/nfs/dbraw/zinc/53/40/08/673534008.db2.gz	CPOCVSHDQNRIMO-UHFFFAOYSA-N	1	1	356.451	2.391	20	30		FEEDMO
C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1	ZINC000599308842	673656589	/nfs/dbraw/zinc/65/65/89/673656589.db2.gz	YBLWIZNHNUVWND-XVNUGVHUSA-N	1	1	364.511	2.488	20	30		FEEDMO
CC[N@H+]1CCC(N=Nc2ccc(S(=O)(=O)NC(C)(C)C)cn2)[C@H](C)C1	ZINC000741459758	673687634	/nfs/dbraw/zinc/68/76/34/673687634.db2.gz	GWYJTBZDWFVPLU-CYBMUJFWSA-N	1	1	367.519	2.288	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F	ZINC000599545528	673690094	/nfs/dbraw/zinc/69/00/94/673690094.db2.gz	UATCWFTUWSGULR-CZUORRHYSA-N	1	1	355.360	2.273	20	30		FEEDMO
C[C@@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(=O)N(C)CCC#N	ZINC000599545436	673690178	/nfs/dbraw/zinc/69/01/78/673690178.db2.gz	RKEQTWMLFDTHHL-UXIGCNINSA-N	1	1	355.360	2.271	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O	ZINC000599631993	673700026	/nfs/dbraw/zinc/70/00/26/673700026.db2.gz	NZXOEXNBMHWLEN-FWKGOSRRSA-N	1	1	359.495	2.307	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O	ZINC000599631993	673700028	/nfs/dbraw/zinc/70/00/28/673700028.db2.gz	NZXOEXNBMHWLEN-FWKGOSRRSA-N	1	1	359.495	2.307	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCO[C@H](CCF)C1)CCC2	ZINC000599642625	673701022	/nfs/dbraw/zinc/70/10/22/673701022.db2.gz	OGPDRUMRRTWSKR-GFCCVEGCSA-N	1	1	351.447	2.497	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCO[C@H](CCF)C1)CCC2	ZINC000599642625	673701024	/nfs/dbraw/zinc/70/10/24/673701024.db2.gz	OGPDRUMRRTWSKR-GFCCVEGCSA-N	1	1	351.447	2.497	20	30		FEEDMO
C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1	ZINC000599643696	673701449	/nfs/dbraw/zinc/70/14/49/673701449.db2.gz	DTNZPXHDSXRAJM-MCIONIFRSA-N	1	1	360.483	2.215	20	30		FEEDMO
C[C@@H]1C[NH+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)S1	ZINC000743377086	673757387	/nfs/dbraw/zinc/75/73/87/673757387.db2.gz	MWNAGQIPUMQHOE-ZIAGYGMSSA-N	1	1	358.467	2.106	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2csc(-n3c(C)ccc3C)n2)CC1	ZINC000744364593	673794549	/nfs/dbraw/zinc/79/45/49/673794549.db2.gz	QFWCYPARXSRZTL-UHFFFAOYSA-N	1	1	356.495	2.261	20	30		FEEDMO
CN(CCC#N)C[C@@H](O)CN[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1	ZINC000600754795	673796694	/nfs/dbraw/zinc/79/66/94/673796694.db2.gz	IICPGSFISZOFAK-WMLDXEAASA-N	1	1	373.328	2.392	20	30		FEEDMO
CC(C)[C@H](C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[NH+]1CCCCC1	ZINC000745084150	673824568	/nfs/dbraw/zinc/82/45/68/673824568.db2.gz	RFBMYWGYECOQTJ-FCEWJHQRSA-N	1	1	351.491	2.483	20	30		FEEDMO
CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000601446109	673863988	/nfs/dbraw/zinc/86/39/88/673863988.db2.gz	SBOKLAHODWUGDB-HNNXBMFYSA-N	1	1	373.400	2.292	20	30		FEEDMO
N#Cc1sccc1N1CC[NH+](Cc2cccn(C(F)F)c2=O)CC1	ZINC000602710069	673910030	/nfs/dbraw/zinc/91/00/30/673910030.db2.gz	WWLUJRMCYPJNNQ-UHFFFAOYSA-N	1	1	350.394	2.499	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3ccnn3)CC2)cc1Cl	ZINC000602887254	673912543	/nfs/dbraw/zinc/91/25/43/673912543.db2.gz	GYIOHUAHVSARLX-OAHLLOKOSA-N	1	1	358.833	2.469	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1cc(Br)c(C)cc1OC	ZINC000818593136	675226711	/nfs/dbraw/zinc/22/67/11/675226711.db2.gz	NHUMOYDAKGSZRJ-UHFFFAOYSA-N	1	1	353.260	2.451	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Cc1c(F)ccc(Br)c1F	ZINC000818593252	675226856	/nfs/dbraw/zinc/22/68/56/675226856.db2.gz	RQHGYJJBRDVVSZ-UHFFFAOYSA-N	1	1	359.214	2.341	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1cc(OC)c(Br)c(OC)c1	ZINC000818606072	675228170	/nfs/dbraw/zinc/22/81/70/675228170.db2.gz	CAHPRVOOPGIPPP-UHFFFAOYSA-N	1	1	369.259	2.151	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1c(C)nc2ccc(Br)cn21	ZINC000818608984	675228558	/nfs/dbraw/zinc/22/85/58/675228558.db2.gz	CRRRTNHUSWZWLB-UHFFFAOYSA-N	1	1	363.259	2.090	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1C	ZINC000819544310	675297667	/nfs/dbraw/zinc/29/76/67/675297667.db2.gz	KXOCYQOKROHENH-ZNMIVQPWSA-N	1	1	352.479	2.125	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1	ZINC000567629895	675308243	/nfs/dbraw/zinc/30/82/43/675308243.db2.gz	GAGQLILWWCNYNT-UHFFFAOYSA-N	1	1	355.385	2.491	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccc(OC(F)F)c(OC)c1	ZINC000567629895	675308245	/nfs/dbraw/zinc/30/82/45/675308245.db2.gz	GAGQLILWWCNYNT-UHFFFAOYSA-N	1	1	355.385	2.491	20	30		FEEDMO
Cc1ccc2c(c1C)OC[C@H]2[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000567678942	675311453	/nfs/dbraw/zinc/31/14/53/675311453.db2.gz	FNVQDUDBPZPFAJ-MRXNPFEDSA-N	1	1	357.435	2.067	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@H](C)N(CCC)C(=O)OC(C)(C)C)CC1	ZINC000822934777	675517656	/nfs/dbraw/zinc/51/76/56/675517656.db2.gz	IHTBFJDFWWOIBV-INIZCTEOSA-N	1	1	351.491	2.190	20	30		FEEDMO
C#CC1CCN(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1	ZINC000825574020	675659408	/nfs/dbraw/zinc/65/94/08/675659408.db2.gz	LDLWYVISHGADES-QGZVFWFLSA-N	1	1	360.527	2.091	20	30		FEEDMO
C#CCN(CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)C(=O)OC(C)(C)C	ZINC000828830506	675847249	/nfs/dbraw/zinc/84/72/49/675847249.db2.gz	QJIYUTFEWWWVGQ-INIZCTEOSA-N	1	1	351.491	2.190	20	30		FEEDMO
C=CCC1([NH2+]CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)CCCCC1	ZINC000625937774	676679078	/nfs/dbraw/zinc/67/90/78/676679078.db2.gz	SZYVEMHZWCLDNP-GOSISDBHSA-N	1	1	351.535	2.328	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(CC)(N2CCOCC2)CC1	ZINC000626087604	676688426	/nfs/dbraw/zinc/68/84/26/676688426.db2.gz	UBZJPYYQMZXZPO-GOSISDBHSA-N	1	1	351.535	2.376	20	30		FEEDMO
CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)CC12COC2	ZINC000830268826	677032887	/nfs/dbraw/zinc/03/28/87/677032887.db2.gz	BOAOEILUDWFXJI-HNNXBMFYSA-N	1	1	364.829	2.254	20	30		FEEDMO
CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC12COC2	ZINC000830268826	677032889	/nfs/dbraw/zinc/03/28/89/677032889.db2.gz	BOAOEILUDWFXJI-HNNXBMFYSA-N	1	1	364.829	2.254	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)nn1	ZINC000644675297	677247676	/nfs/dbraw/zinc/24/76/76/677247676.db2.gz	DDEXBQADUIPPTP-CYBMUJFWSA-N	1	1	357.241	2.300	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@@]1(Cc2ccc(Cl)cc2)CCOC1	ZINC000838621859	680706554	/nfs/dbraw/zinc/70/65/54/680706554.db2.gz	GUHMPHWOPLGQOF-LJQANCHMSA-N	1	1	363.889	2.296	20	30		FEEDMO
C=CC[N@@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000839516014	680758605	/nfs/dbraw/zinc/75/86/05/680758605.db2.gz	FIMBMIAJWRJBFJ-HZPDHXFCSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CC[N@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1	ZINC000839516014	680758606	/nfs/dbraw/zinc/75/86/06/680758606.db2.gz	FIMBMIAJWRJBFJ-HZPDHXFCSA-N	1	1	372.531	2.309	20	30		FEEDMO
C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1	ZINC000660583427	678360503	/nfs/dbraw/zinc/36/05/03/678360503.db2.gz	BXVFZNDERSMBJR-BRWVUGGUSA-N	1	1	350.507	2.008	20	30		FEEDMO
C=CC[N@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)[C@H](C)COC	ZINC000661246225	678457505	/nfs/dbraw/zinc/45/75/05/678457505.db2.gz	GTXAORBPSDLVKP-CQSZACIVSA-N	1	1	367.877	2.260	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N(C)CC(=O)Nc1ccccc1Cl)[C@H](C)COC	ZINC000661246225	678457510	/nfs/dbraw/zinc/45/75/10/678457510.db2.gz	GTXAORBPSDLVKP-CQSZACIVSA-N	1	1	367.877	2.260	20	30		FEEDMO
C=CC[N@H+](CC(=O)NCC(=O)Nc1cccc(Cl)c1C)[C@@H](C)COC	ZINC000661243434	678457646	/nfs/dbraw/zinc/45/76/46/678457646.db2.gz	KBPYYXBZUINTOC-ZDUSSCGKSA-N	1	1	367.877	2.226	20	30		FEEDMO
C=CC[N@@H+](CC(=O)NCC(=O)Nc1cccc(Cl)c1C)[C@@H](C)COC	ZINC000661243434	678457648	/nfs/dbraw/zinc/45/76/48/678457648.db2.gz	KBPYYXBZUINTOC-ZDUSSCGKSA-N	1	1	367.877	2.226	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1=O	ZINC000840044057	680794659	/nfs/dbraw/zinc/79/46/59/680794659.db2.gz	XRMDBNFRFXUVHA-CABCVRRESA-N	1	1	352.479	2.103	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1=O	ZINC000840044057	680794660	/nfs/dbraw/zinc/79/46/60/680794660.db2.gz	XRMDBNFRFXUVHA-CABCVRRESA-N	1	1	352.479	2.103	20	30		FEEDMO
CC(C)[C@@H](C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O)[NH+]1CCCC1	ZINC000764554662	680814578	/nfs/dbraw/zinc/81/45/78/680814578.db2.gz	YHGQIKFWIJJZDK-CABCVRRESA-N	1	1	361.467	2.389	20	30		FEEDMO
C=CCCNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1	ZINC000667202752	679077690	/nfs/dbraw/zinc/07/76/90/679077690.db2.gz	VFQPERZMQAZTGW-UHFFFAOYSA-N	1	1	368.279	2.294	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCCC(F)(F)C1	ZINC000669032112	679216014	/nfs/dbraw/zinc/21/60/14/679216014.db2.gz	ANTWVKOPXJJYHA-KGLIPLIRSA-N	1	1	353.417	2.235	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCSC(C)(C)C1	ZINC000669034574	679216173	/nfs/dbraw/zinc/21/61/73/679216173.db2.gz	RSYVFHGMBVPPAS-CABCVRRESA-N	1	1	363.531	2.332	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CC#Cc3cccc(Cl)c3)C2)CC[N@H+]1C	ZINC001014473714	680037492	/nfs/dbraw/zinc/03/74/92/680037492.db2.gz	DVDOAGNICTUBID-ATZDWAIDSA-N	1	1	359.901	2.222	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)s1	ZINC001015243098	680046453	/nfs/dbraw/zinc/04/64/53/680046453.db2.gz	PJBIJOLJFHGARX-JCGIZDLHSA-N	1	1	359.495	2.373	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCOCC3)C2)s1	ZINC001015243098	680046460	/nfs/dbraw/zinc/04/64/60/680046460.db2.gz	PJBIJOLJFHGARX-JCGIZDLHSA-N	1	1	359.495	2.373	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C(C)C)s2)C1	ZINC001020726119	680113655	/nfs/dbraw/zinc/11/36/55/680113655.db2.gz	AFPUFTQIOBOTAQ-YXWQFLTLSA-N	1	1	364.515	2.380	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cccs1	ZINC000976193297	680122542	/nfs/dbraw/zinc/12/25/42/680122542.db2.gz	VBPSBGYGBZCLIW-OAGGEKHMSA-N	1	1	359.495	2.003	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cccs1	ZINC000976193297	680122543	/nfs/dbraw/zinc/12/25/43/680122543.db2.gz	VBPSBGYGBZCLIW-OAGGEKHMSA-N	1	1	359.495	2.003	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1	ZINC001021941233	680186073	/nfs/dbraw/zinc/18/60/73/680186073.db2.gz	JGCDONVJJBKBBC-GOEBONIOSA-N	1	1	367.921	2.309	20	30		FEEDMO
C=CC[N@H+](CN1C[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C1=O)C(C)C	ZINC000751593651	680188821	/nfs/dbraw/zinc/18/88/21/680188821.db2.gz	RKOLNIKKQYMOAG-HNNXBMFYSA-N	1	1	352.479	2.197	20	30		FEEDMO
C=CC[N@@H+](CN1C[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C1=O)C(C)C	ZINC000751593651	680188822	/nfs/dbraw/zinc/18/88/22/680188822.db2.gz	RKOLNIKKQYMOAG-HNNXBMFYSA-N	1	1	352.479	2.197	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCOC2CCC2)C1	ZINC001023375832	680257368	/nfs/dbraw/zinc/25/73/68/680257368.db2.gz	SLMOVKJFNILOGY-QRQLOZEOSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2csnc2OC)C1	ZINC001023599549	680265070	/nfs/dbraw/zinc/26/50/70/680265070.db2.gz	NHDYQBYLFZUFCY-BMFZPTHFSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2csnc2OC)C1	ZINC001023599549	680265074	/nfs/dbraw/zinc/26/50/74/680265074.db2.gz	NHDYQBYLFZUFCY-BMFZPTHFSA-N	1	1	365.499	2.071	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2Cc2ccc(C#N)s2)CC[N@H+]1C	ZINC001024447065	680290024	/nfs/dbraw/zinc/29/00/24/680290024.db2.gz	PVQSYNJPSLPWNQ-IIDMSEBBSA-N	1	1	360.527	2.431	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCn1cc(Cl)cn1	ZINC001024661608	680299277	/nfs/dbraw/zinc/29/92/77/680299277.db2.gz	JRRDAWJCPMMXLP-ZACQAIPSSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCn1cc(Cl)cn1	ZINC001024661608	680299279	/nfs/dbraw/zinc/29/92/79/680299279.db2.gz	JRRDAWJCPMMXLP-ZACQAIPSSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C(Br)CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C	ZINC000995828430	680305132	/nfs/dbraw/zinc/30/51/32/680305132.db2.gz	XZCGOLRXEJSXJP-MCIONIFRSA-N	1	1	358.324	2.062	20	30		FEEDMO
C=C(Br)CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C	ZINC000995828430	680305135	/nfs/dbraw/zinc/30/51/35/680305135.db2.gz	XZCGOLRXEJSXJP-MCIONIFRSA-N	1	1	358.324	2.062	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCn2cc(Cl)cn2)C1	ZINC001027586289	680360716	/nfs/dbraw/zinc/36/07/16/680360716.db2.gz	ZESGREVWULHXSY-ZACQAIPSSA-N	1	1	366.893	2.050	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2snnc2C)C1	ZINC001028856071	680385245	/nfs/dbraw/zinc/38/52/45/680385245.db2.gz	WVAVJEKLOYORRC-VYDXJSESSA-N	1	1	364.515	2.156	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)c1cccc(F)c1C#N)CCC(F)(F)F	ZINC000755168889	680403620	/nfs/dbraw/zinc/40/36/20/680403620.db2.gz	KPDWUGPOODBSOI-UHFFFAOYSA-N	1	1	367.368	2.250	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1cccc(F)c1C#N)CCC(F)(F)F	ZINC000755168889	680403623	/nfs/dbraw/zinc/40/36/23/680403623.db2.gz	KPDWUGPOODBSOI-UHFFFAOYSA-N	1	1	367.368	2.250	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nn(C)cc2Cl)C1	ZINC000999540796	680405772	/nfs/dbraw/zinc/40/57/72/680405772.db2.gz	ZLEDSDCMHDJXSE-QKRUXVEJSA-N	1	1	366.893	2.134	20	30		FEEDMO
CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ccc(C#N)s2)C1	ZINC001033834661	680424938	/nfs/dbraw/zinc/42/49/38/680424938.db2.gz	SDHGUWGZQKHGDQ-RVKKMQEKSA-N	1	1	360.527	2.383	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](C[C@H](C)O)C2)CC1	ZINC001035237097	680444622	/nfs/dbraw/zinc/44/46/22/680444622.db2.gz	PWDZDYWTSNOYGH-BZSNNMDCSA-N	1	1	350.503	2.053	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCC2CCC2)CCO1	ZINC001035543859	680450580	/nfs/dbraw/zinc/45/05/80/680450580.db2.gz	WTOPFBVCLBDTON-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F	ZINC000836441198	680469987	/nfs/dbraw/zinc/46/99/87/680469987.db2.gz	ZMSYAHHZBYGQJA-CABCVRRESA-N	1	1	351.397	2.398	20	30		FEEDMO
C=C(Br)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC001001648271	680470769	/nfs/dbraw/zinc/47/07/69/680470769.db2.gz	CKZRAOWRYUQXOX-LEOABGAYSA-N	1	1	369.303	2.147	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl	ZINC000836489259	680476328	/nfs/dbraw/zinc/47/63/28/680476328.db2.gz	WMQOFKIHPHPMQM-OAHLLOKOSA-N	1	1	358.269	2.281	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCCC(=O)Nc1ccc(Cl)cc1	ZINC000836489422	680476346	/nfs/dbraw/zinc/47/63/46/680476346.db2.gz	ZTIBJGZIVQFHMY-UHFFFAOYSA-N	1	1	364.877	2.313	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1CCCCN1C(=O)c1cccs1	ZINC000756541004	680483921	/nfs/dbraw/zinc/48/39/21/680483921.db2.gz	FCQOKBGFPDAQRI-HOTGVXAUSA-N	1	1	360.479	2.384	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2	ZINC001004366926	680555713	/nfs/dbraw/zinc/55/57/13/680555713.db2.gz	LIOCTJUOOLLAJM-JJXSEGSLSA-N	1	1	367.921	2.355	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC000988022802	680598010	/nfs/dbraw/zinc/59/80/10/680598010.db2.gz	JZTZHCJIASWWEV-VNQPRFMTSA-N	1	1	369.937	2.412	20	30		FEEDMO
C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccsc3)CC2)C1	ZINC001046038063	680643313	/nfs/dbraw/zinc/64/33/13/680643313.db2.gz	GOWSXVYUZZNSLH-GBESFXJTSA-N	1	1	357.523	2.093	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)CC2)C1	ZINC001046072130	680643525	/nfs/dbraw/zinc/64/35/25/680643525.db2.gz	SNIQAWKWLGOOGU-FGTMMUONSA-N	1	1	351.922	2.394	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3C3CCC3)CC2)C1	ZINC001046072130	680643527	/nfs/dbraw/zinc/64/35/27/680643527.db2.gz	SNIQAWKWLGOOGU-FGTMMUONSA-N	1	1	351.922	2.394	20	30		FEEDMO
N#Cc1cc(Br)ccc1C(=O)OCCC[NH+]1CCOCC1	ZINC000837817988	680651805	/nfs/dbraw/zinc/65/18/05/680651805.db2.gz	HTQYQBHVKDBBLE-UHFFFAOYSA-N	1	1	353.216	2.200	20	30		FEEDMO
C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](Nc2nc(Cl)c(C#N)s2)C1	ZINC001047217944	680658744	/nfs/dbraw/zinc/65/87/44/680658744.db2.gz	XQJQZFDYMQAHKR-TUAOUCFPSA-N	1	1	367.906	2.459	20	30		FEEDMO
C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1	ZINC001047383712	680661635	/nfs/dbraw/zinc/66/16/35/680661635.db2.gz	MUYWKXHJWIGEIK-YHHCBVJFSA-N	1	1	360.420	2.291	20	30		FEEDMO
C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)C1	ZINC001047383712	680661639	/nfs/dbraw/zinc/66/16/39/680661639.db2.gz	MUYWKXHJWIGEIK-YHHCBVJFSA-N	1	1	360.420	2.291	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1	ZINC000768384866	680945641	/nfs/dbraw/zinc/94/56/41/680945641.db2.gz	DIGQVFQOMOAPSB-HZPDHXFCSA-N	1	1	355.479	2.053	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1	ZINC000768384866	680945642	/nfs/dbraw/zinc/94/56/42/680945642.db2.gz	DIGQVFQOMOAPSB-HZPDHXFCSA-N	1	1	355.479	2.053	20	30		FEEDMO
CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1	ZINC000843433174	681003833	/nfs/dbraw/zinc/00/38/33/681003833.db2.gz	VKIWXKRNWXBQQR-WBMJQRKESA-N	1	1	355.360	2.478	20	30		FEEDMO
Cc1nsc(N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C)c1C#N	ZINC001050620712	681051984	/nfs/dbraw/zinc/05/19/84/681051984.db2.gz	CXOLQTYSJUXIDU-KBMXLJTQSA-N	1	1	361.515	2.279	20	30		FEEDMO
CCCC[N@@H+](C)CC1CCN(C(=O)C(=NOC)c2csc(N)n2)CC1	ZINC000874468271	685397635	/nfs/dbraw/zinc/39/76/35/685397635.db2.gz	WLJPXKFGGJHBIW-UHFFFAOYSA-N	1	1	367.519	2.046	20	30		FEEDMO
C=C(Br)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1	ZINC001050676369	681053743	/nfs/dbraw/zinc/05/37/43/681053743.db2.gz	PFKCFXMKLNZABI-KFWWJZLASA-N	1	1	369.303	2.387	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CC(=O)NCCC#N)[C@@H]1CCNC(=O)OC(C)(C)C	ZINC000844399034	681056301	/nfs/dbraw/zinc/05/63/01/681056301.db2.gz	ZYTWNBKCHCNHJE-HUUCEWRRSA-N	1	1	352.479	2.032	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1c1snc(Cl)c1C#N	ZINC001051229994	681065996	/nfs/dbraw/zinc/06/59/96/681065996.db2.gz	ANFNGOPCHWCKOD-KGYLQXTDSA-N	1	1	367.906	2.236	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1c1nc(C#N)c(Cl)s1	ZINC001051230389	681066024	/nfs/dbraw/zinc/06/60/24/681066024.db2.gz	IRYSWNJKUVLIGC-NTZNESFSSA-N	1	1	367.906	2.236	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNc1ncc(C#N)cc1Cl	ZINC001053666068	681103308	/nfs/dbraw/zinc/10/33/08/681103308.db2.gz	AJYIXCQYUZNGHB-XNRPHZJLSA-N	1	1	361.877	2.207	20	30		FEEDMO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C3)c1C#N	ZINC001055160496	681125015	/nfs/dbraw/zinc/12/50/15/681125015.db2.gz	SHZGJUQHLJHXRU-OEAJRASXSA-N	1	1	359.499	2.033	20	30		FEEDMO
C[N@H+](Cc1cccc(NS(C)(=O)=O)c1)C[C@@H](O)c1cccc(C#N)c1	ZINC000846008007	681172700	/nfs/dbraw/zinc/17/27/00/681172700.db2.gz	SEDSEQDVUOKTKY-GOSISDBHSA-N	1	1	359.451	2.095	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3snc(Cl)c3C#N)C2)CC[N@H+]1C	ZINC001058573072	681172670	/nfs/dbraw/zinc/17/26/70/681172670.db2.gz	BIPJLCMVUDBPDA-GMXVVIOVSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1	ZINC000932192592	681192516	/nfs/dbraw/zinc/19/25/16/681192516.db2.gz	MXFJYBSFNLYOMM-CHWSQXEVSA-N	1	1	362.499	2.212	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1	ZINC000932192592	681192520	/nfs/dbraw/zinc/19/25/20/681192520.db2.gz	MXFJYBSFNLYOMM-CHWSQXEVSA-N	1	1	362.499	2.212	20	30		FEEDMO
CC[N@@H+](CCC(N)=O)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1	ZINC000932482923	681253657	/nfs/dbraw/zinc/25/36/57/681253657.db2.gz	ZVWGCVZQIWXNEP-UHFFFAOYSA-N	1	1	350.850	2.092	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)N[C@H](CC#N)C(F)(F)F)C[C@@H](C)O1	ZINC000932921757	681329020	/nfs/dbraw/zinc/32/90/20/681329020.db2.gz	ZORGYDMATHDVCE-YIYPIFLZSA-N	1	1	362.396	2.114	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@H]1CCCO1	ZINC000775794673	681335761	/nfs/dbraw/zinc/33/57/61/681335761.db2.gz	RSNZHTPTOYLTOQ-TZMCWYRMSA-N	1	1	352.818	2.066	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)[C@@H]1CCCO1	ZINC000775792763	681335803	/nfs/dbraw/zinc/33/58/03/681335803.db2.gz	ADVQXHZNJKOIEL-ZFWWWQNUSA-N	1	1	351.244	2.466	20	30		FEEDMO
C#CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C	ZINC000775863724	681342790	/nfs/dbraw/zinc/34/27/90/681342790.db2.gz	PYCYSHQZQXWWNY-INIZCTEOSA-N	1	1	351.491	2.285	20	30		FEEDMO
CC[NH+]1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1	ZINC000847280978	681358478	/nfs/dbraw/zinc/35/84/78/681358478.db2.gz	OIHNDXXIAUOUTI-HNNXBMFYSA-N	1	1	352.479	2.128	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCOc2ccccc2[C@@H]1CO	ZINC000933385293	681402423	/nfs/dbraw/zinc/40/24/23/681402423.db2.gz	KDWSNXGOXWMBDX-HNNXBMFYSA-N	1	1	357.435	2.376	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCOc2ccccc2[C@@H]1CO	ZINC000933385293	681402425	/nfs/dbraw/zinc/40/24/25/681402425.db2.gz	KDWSNXGOXWMBDX-HNNXBMFYSA-N	1	1	357.435	2.376	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](CCC(=O)N(C)CCC#N)CCN1C(=O)OC(C)(C)C	ZINC000776607973	681415488	/nfs/dbraw/zinc/41/54/88/681415488.db2.gz	YFOANOQIDOVPDJ-LSDHHAIUSA-N	1	1	352.479	2.078	20	30		FEEDMO
CC(C)[NH+]1CC(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000847767102	681429976	/nfs/dbraw/zinc/42/99/76/681429976.db2.gz	MNFWIMLYRUYSOO-HNNXBMFYSA-N	1	1	352.479	2.172	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1Cl	ZINC000933756111	681464230	/nfs/dbraw/zinc/46/42/30/681464230.db2.gz	NKNBNRRPINIKSW-UGSOOPFHSA-N	1	1	360.845	2.128	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)C3(C#N)CCSCC3)CC2)nc(C)[nH+]1	ZINC000934224927	681528494	/nfs/dbraw/zinc/52/84/94/681528494.db2.gz	FFRLQAUQCROWHH-UHFFFAOYSA-N	1	1	359.499	2.215	20	30		FEEDMO
C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000934467513	681575030	/nfs/dbraw/zinc/57/50/30/681575030.db2.gz	RKHUOWVFZOWOCM-ZBFHGGJFSA-N	1	1	365.499	2.351	20	30		FEEDMO
C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1	ZINC000934467513	681575035	/nfs/dbraw/zinc/57/50/35/681575035.db2.gz	RKHUOWVFZOWOCM-ZBFHGGJFSA-N	1	1	365.499	2.351	20	30		FEEDMO
CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1	ZINC000948392178	681578213	/nfs/dbraw/zinc/57/82/13/681578213.db2.gz	BNCUPFFTFIBPDC-DOXZYTNZSA-N	1	1	359.495	2.469	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](O)[C@H](F)C2)sc2c1CCCC2	ZINC000934580986	681596307	/nfs/dbraw/zinc/59/63/07/681596307.db2.gz	HPAFXZPAARNJGY-KGLIPLIRSA-N	1	1	351.447	2.232	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](O)[C@H](F)C2)sc2c1CCCC2	ZINC000934580986	681596312	/nfs/dbraw/zinc/59/63/12/681596312.db2.gz	HPAFXZPAARNJGY-KGLIPLIRSA-N	1	1	351.447	2.232	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1OCC[C@H]1C(C)C)CCO2	ZINC000949095634	681617481	/nfs/dbraw/zinc/61/74/81/681617481.db2.gz	UABYQDJBZAELRL-IRXDYDNUSA-N	1	1	370.921	2.493	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[NH+]1CCC(NC(=O)COC)CC1	ZINC000779154622	681685581	/nfs/dbraw/zinc/68/55/81/681685581.db2.gz	VBNIMKNHFOVYGI-UHFFFAOYSA-N	1	1	350.846	2.079	20	30		FEEDMO
CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1	ZINC000780981551	681893033	/nfs/dbraw/zinc/89/30/33/681893033.db2.gz	UVTCLGRVORGAHV-ROUUACIJSA-N	1	1	354.539	2.346	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCOCC1	ZINC000960929654	682072471	/nfs/dbraw/zinc/07/24/71/682072471.db2.gz	XRQFDDCAJFXNCS-FHWLQOOXSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCc2ccns2)CC1(C)C	ZINC000941046834	682097857	/nfs/dbraw/zinc/09/78/57/682097857.db2.gz	NBOSCLJBDKRPFS-IXDOHACOSA-N	1	1	363.527	2.493	20	30		FEEDMO
C=CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)CC2)C1	ZINC000941461094	682127824	/nfs/dbraw/zinc/12/78/24/682127824.db2.gz	YPXAMWNZDPBKMY-CVEARBPZSA-N	1	1	359.436	2.370	20	30		FEEDMO
CSc1ccc([C@H](CNS(=O)(=O)CC(C)(C)C#N)[NH+](C)C)cc1	ZINC000915940241	685519711	/nfs/dbraw/zinc/51/97/11/685519711.db2.gz	OCDQSOHNLMQNRG-HNNXBMFYSA-N	1	1	355.529	2.480	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CO)c1cccc(Cl)c1Cl	ZINC000852359121	682266263	/nfs/dbraw/zinc/26/62/63/682266263.db2.gz	CRRVBILBGXVYCH-AWEZNQCLSA-N	1	1	358.269	2.281	20	30		FEEDMO
C#CCC[N@H+](CCOC)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1	ZINC000852750367	682335414	/nfs/dbraw/zinc/33/54/14/682335414.db2.gz	RZUYSFGKVOGQCQ-INIZCTEOSA-N	1	1	352.475	2.127	20	30		FEEDMO
CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C)C1	ZINC000855360510	682661594	/nfs/dbraw/zinc/66/15/94/682661594.db2.gz	GMVAFXFOPCDWAI-LSDHHAIUSA-N	1	1	352.479	2.126	20	30		FEEDMO
COCC[N@H+]1CCCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000790510938	682682713	/nfs/dbraw/zinc/68/27/13/682682713.db2.gz	QRCOWUJPZPEIAU-UHFFFAOYSA-N	1	1	354.372	2.238	20	30		FEEDMO
C=CCn1c(C2CC2)nn(CN2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1=S	ZINC000795700546	683082454	/nfs/dbraw/zinc/08/24/54/683082454.db2.gz	NEFJHXLNGLHZQQ-HOCLYGCPSA-N	1	1	363.531	2.230	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cnccc1NC(=O)OC(C)(C)C	ZINC000796931698	683208066	/nfs/dbraw/zinc/20/80/66/683208066.db2.gz	HANOWFJMTDRZDN-ZDUSSCGKSA-N	1	1	369.487	2.102	20	30		FEEDMO
CC[C@](C)(C#N)C(=O)NCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000927841908	683321732	/nfs/dbraw/zinc/32/17/32/683321732.db2.gz	IIJBXSKTQUUFHG-GOSISDBHSA-N	1	1	352.479	2.032	20	30		FEEDMO
C#CCN1CCC(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1	ZINC000921175082	683403341	/nfs/dbraw/zinc/40/33/41/683403341.db2.gz	VFAKXNIAAOCLJN-SFHVURJKSA-N	1	1	362.905	2.340	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1=O	ZINC000798956994	683408507	/nfs/dbraw/zinc/40/85/07/683408507.db2.gz	TXCXHWYLFOSWIP-KXBFYZLASA-N	1	1	351.491	2.352	20	30		FEEDMO
Cc1nn(-c2ccccc2)c(Cl)c1C=NNCCC[NH+]1CCOCC1	ZINC000799487783	683459650	/nfs/dbraw/zinc/45/96/50/683459650.db2.gz	BQMMMZVDCPVNAC-UHFFFAOYSA-N	1	1	361.877	2.480	20	30		FEEDMO
CCOc1cc(C=NNCCC[NH+]2CCOCC2)cc(Cl)c1OC	ZINC000799490326	683460353	/nfs/dbraw/zinc/46/03/53/683460353.db2.gz	YVBYWQADXXGAMX-UHFFFAOYSA-N	1	1	355.866	2.393	20	30		FEEDMO
CN1CCC[N@H+](CCCNCc2cc(C#N)ccc2Br)CC1	ZINC000921689479	683543997	/nfs/dbraw/zinc/54/39/97/683543997.db2.gz	DQDRKWRVASVMKW-UHFFFAOYSA-N	1	1	365.319	2.438	20	30		FEEDMO
CN1CCC[N@@H+](CCCNCc2cc(C#N)ccc2Br)CC1	ZINC000921689479	683544001	/nfs/dbraw/zinc/54/40/01/683544001.db2.gz	DQDRKWRVASVMKW-UHFFFAOYSA-N	1	1	365.319	2.438	20	30		FEEDMO
C=CC[N@@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@H]1CCS(=O)(=O)C1	ZINC000929977518	683664167	/nfs/dbraw/zinc/66/41/67/683664167.db2.gz	VRHSSHOXDWEYOM-OAGGEKHMSA-N	1	1	372.531	2.165	20	30		FEEDMO
C=CC[N@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@H]1CCS(=O)(=O)C1	ZINC000929977518	683664172	/nfs/dbraw/zinc/66/41/72/683664172.db2.gz	VRHSSHOXDWEYOM-OAGGEKHMSA-N	1	1	372.531	2.165	20	30		FEEDMO
C[N@H+]1CCC(N=Nc2ccc(S(=O)(=O)N3CCCC3)cn2)CC1(C)C	ZINC000863079383	683676813	/nfs/dbraw/zinc/67/68/13/683676813.db2.gz	LFHAHANGWAPBDH-UHFFFAOYSA-N	1	1	365.503	2.138	20	30		FEEDMO
COCO[C@@H](C)c1cc(F)c(C=NNC2=[NH+]CCN2)cc1Br	ZINC000863120144	683678121	/nfs/dbraw/zinc/67/81/21/683678121.db2.gz	LEHVWFZJMXFCBP-VIFPVBQESA-N	1	1	373.226	2.152	20	30		FEEDMO
N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1	ZINC000930277456	683703204	/nfs/dbraw/zinc/70/32/04/683703204.db2.gz	COZKLCRPIYRTJV-GDAAHCPNSA-N	1	1	361.873	2.326	20	30		FEEDMO
C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cccc(C#N)c1O	ZINC000866380702	684096012	/nfs/dbraw/zinc/09/60/12/684096012.db2.gz	JAWLOGRFJOKJKS-GXTWGEPZSA-N	1	1	358.419	2.149	20	30		FEEDMO
CC(C)N1CC[NH+](C2CCN(C(=O)c3sccc3CC#N)CC2)CC1	ZINC000867054988	684203073	/nfs/dbraw/zinc/20/30/73/684203073.db2.gz	VNIKKVNCZRYWBU-UHFFFAOYSA-N	1	1	360.527	2.445	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1	ZINC000923549513	684303587	/nfs/dbraw/zinc/30/35/87/684303587.db2.gz	KHXBUOMBOZNTNV-NSHDSACASA-N	1	1	366.215	2.185	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2c(Br)cccc2[N+](=O)[O-])C1	ZINC000923549513	684303591	/nfs/dbraw/zinc/30/35/91/684303591.db2.gz	KHXBUOMBOZNTNV-NSHDSACASA-N	1	1	366.215	2.185	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(cc2Br)OCO3)C1	ZINC000923550973	684304302	/nfs/dbraw/zinc/30/43/02/684304302.db2.gz	IMZQGVXIOMFIKN-LLVKDONJSA-N	1	1	365.227	2.005	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(cc2Br)OCO3)C1	ZINC000923550973	684304308	/nfs/dbraw/zinc/30/43/08/684304308.db2.gz	IMZQGVXIOMFIKN-LLVKDONJSA-N	1	1	365.227	2.005	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1	ZINC000923556075	684305449	/nfs/dbraw/zinc/30/54/49/684305449.db2.gz	ZAETVTCIHBVOSH-INIZCTEOSA-N	1	1	360.255	2.077	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1	ZINC000923556075	684305453	/nfs/dbraw/zinc/30/54/53/684305453.db2.gz	ZAETVTCIHBVOSH-INIZCTEOSA-N	1	1	360.255	2.077	20	30		FEEDMO
C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1	ZINC000868453483	684496912	/nfs/dbraw/zinc/49/69/12/684496912.db2.gz	VETJNLWHUOGKRM-ILXRZTDVSA-N	1	1	371.909	2.432	20	30		FEEDMO
CSC1CC[NH+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1	ZINC000872628413	684991692	/nfs/dbraw/zinc/99/16/92/684991692.db2.gz	XZNPCKNYVPPOAO-SFHVURJKSA-N	1	1	358.467	2.110	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CCO)c1ccc(Cl)c(F)c1	ZINC000875623972	686051469	/nfs/dbraw/zinc/05/14/69/686051469.db2.gz	YTMNCFREHKZIMC-INIZCTEOSA-N	1	1	355.841	2.157	20	30		FEEDMO
CN(C[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1F)C(=O)OC(C)(C)C	ZINC000879084917	686735060	/nfs/dbraw/zinc/73/50/60/686735060.db2.gz	YBHKVJDANIJCIO-OAHLLOKOSA-N	1	1	351.422	2.357	20	30		FEEDMO
CN(C[C@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1F)C(=O)OC(C)(C)C	ZINC000879084917	686735062	/nfs/dbraw/zinc/73/50/62/686735062.db2.gz	YBHKVJDANIJCIO-OAHLLOKOSA-N	1	1	351.422	2.357	20	30		FEEDMO
C[N@H+](CCc1cccc(C#N)c1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1	ZINC000879435105	686820859	/nfs/dbraw/zinc/82/08/59/686820859.db2.gz	WDJLKXPSIHVUKI-LJQANCHMSA-N	1	1	358.463	2.170	20	30		FEEDMO
C[N@@H+](CCc1cccc(C#N)c1)C[C@@H](O)c1ccc(S(C)(=O)=O)cc1	ZINC000879435105	686820866	/nfs/dbraw/zinc/82/08/66/686820866.db2.gz	WDJLKXPSIHVUKI-LJQANCHMSA-N	1	1	358.463	2.170	20	30		FEEDMO
C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880221781	687019131	/nfs/dbraw/zinc/01/91/31/687019131.db2.gz	RMLOROALPZYAFR-JTDSTZFVSA-N	1	1	354.491	2.414	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1	ZINC000880323014	687034792	/nfs/dbraw/zinc/03/47/92/687034792.db2.gz	MWNDFVHRHCFRMT-QWHCGFSZSA-N	1	1	351.472	2.108	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1	ZINC000880323014	687034797	/nfs/dbraw/zinc/03/47/97/687034797.db2.gz	MWNDFVHRHCFRMT-QWHCGFSZSA-N	1	1	351.472	2.108	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3CCNC(=O)[C@@H]32)cc1Cl	ZINC000880527861	687057969	/nfs/dbraw/zinc/05/79/69/687057969.db2.gz	VTEWVTPACXFMQJ-SJKOYZFVSA-N	1	1	360.845	2.141	20	30		FEEDMO
CC(C)[C@H](CNC(=O)Nc1cc(C#N)c(F)cc1F)[NH+]1CCOCC1	ZINC000880716709	687077861	/nfs/dbraw/zinc/07/78/61/687077861.db2.gz	RGDSTWWNXPWFPW-INIZCTEOSA-N	1	1	352.385	2.315	20	30		FEEDMO
CC(C)OCC[NH+]1CCN(C(=O)Nc2cc(C#N)c(F)cc2F)CC1	ZINC000880716917	687078232	/nfs/dbraw/zinc/07/82/32/687078232.db2.gz	ZGCXLFFOJPTLTQ-UHFFFAOYSA-N	1	1	352.385	2.411	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N(C)Cc1cc(C#N)cs1)[NH+]1CCOCC1	ZINC000891737982	689099524	/nfs/dbraw/zinc/09/95/24/689099524.db2.gz	CZXQFXFTRRARGL-INIZCTEOSA-N	1	1	350.488	2.118	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@@H]1C[C@]1(C)Br	ZINC000892223392	689166738	/nfs/dbraw/zinc/16/67/38/689166738.db2.gz	IAUKJEZWMWZXHQ-XUJVJEKNSA-N	1	1	350.264	2.032	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@@H]1C[C@]1(C)Br	ZINC000892223392	689166740	/nfs/dbraw/zinc/16/67/40/689166740.db2.gz	IAUKJEZWMWZXHQ-XUJVJEKNSA-N	1	1	350.264	2.032	20	30		FEEDMO
C#CCSCC(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2	ZINC000893921130	689429800	/nfs/dbraw/zinc/42/98/00/689429800.db2.gz	ICERLCPNGMWAQF-PXNSSMCTSA-N	1	1	358.507	2.245	20	30		FEEDMO
C#CCSCC(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2	ZINC000893921130	689429801	/nfs/dbraw/zinc/42/98/01/689429801.db2.gz	ICERLCPNGMWAQF-PXNSSMCTSA-N	1	1	358.507	2.245	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cc2sc(CC(F)(F)F)nc2C)CC1	ZINC000895883318	689788350	/nfs/dbraw/zinc/78/83/50/689788350.db2.gz	CDVFOFMLAYNHEI-UHFFFAOYSA-N	1	1	359.417	2.266	20	30		FEEDMO
CC(C)[N@H+]1CC[C@@H](C(=O)Nc2ncc(C#N)s2)[C@@H](c2cnn(C)c2)C1	ZINC000896494060	689881108	/nfs/dbraw/zinc/88/11/08/689881108.db2.gz	HRUCUOMTLSGEJD-HUUCEWRRSA-N	1	1	358.471	2.201	20	30		FEEDMO
CC(C)[N@H+]1CC[C@H](C(=O)Nc2ncc(C#N)s2)[C@@H](c2cnn(C)c2)C1	ZINC000896494061	689881130	/nfs/dbraw/zinc/88/11/30/689881130.db2.gz	HRUCUOMTLSGEJD-LSDHHAIUSA-N	1	1	358.471	2.201	20	30		FEEDMO
N#Cc1cc(Br)cnc1NC[C@H]1CC[N@H+]1C1CCOCC1	ZINC000896521432	689884805	/nfs/dbraw/zinc/88/48/05/689884805.db2.gz	DKISSSBVTYFIFH-CQSZACIVSA-N	1	1	351.248	2.381	20	30		FEEDMO
N#C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1cccc(Cl)c1Cl	ZINC000900631607	690540893	/nfs/dbraw/zinc/54/08/93/690540893.db2.gz	AJCOXABUTUSYRF-RISCZKNCSA-N	1	1	354.237	2.395	20	30		FEEDMO
Cn1nc(C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)cc1C(F)(F)F	ZINC000905675426	691159655	/nfs/dbraw/zinc/15/96/55/691159655.db2.gz	PAKLEPYTAZVDLR-QMMMGPOBSA-N	1	1	355.229	2.477	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccsc3C#N)cc2)CC1	ZINC000906389433	691262382	/nfs/dbraw/zinc/26/23/82/691262382.db2.gz	MCHHAQQCJBLIRP-UHFFFAOYSA-N	1	1	354.435	2.260	20	30		FEEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C)c(C#N)cc1Cl)CC2	ZINC001164690059	719755244	/nfs/dbraw/zinc/75/52/44/719755244.db2.gz	RPJVIPPTLPTOPC-UHFFFAOYSA-N	1	1	361.877	2.096	20	30		FEEDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1ncc3c(c1C#N)CCCC3)CC2	ZINC001164690542	719755798	/nfs/dbraw/zinc/75/57/98/719755798.db2.gz	DMBVKJUTPXSTKR-UHFFFAOYSA-N	1	1	367.497	2.013	20	30		FEEDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cncc(CC#N)n3)CC[C@@H]21	ZINC001164843582	720585502	/nfs/dbraw/zinc/58/55/02/720585502.db2.gz	YIFXNDLXWFAPBY-WDSOQIARSA-N	1	1	365.485	2.117	20	30		FEEDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cncc(CC#N)n3)CC[C@@H]21	ZINC001164843580	720585833	/nfs/dbraw/zinc/58/58/33/720585833.db2.gz	YIFXNDLXWFAPBY-NEWSRXKRSA-N	1	1	365.485	2.117	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)cc(C)c3C#N)CC[C@H]2C1	ZINC001164853263	720835218	/nfs/dbraw/zinc/83/52/18/720835218.db2.gz	NRBICQFHCSVNLF-GOEBONIOSA-N	1	1	364.877	2.089	20	30		FEEDMO
Cc1ccc(CC#N)c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1	ZINC001164763208	721210741	/nfs/dbraw/zinc/21/07/41/721210741.db2.gz	DSLSEUPYYNSKMR-MOPGFXCFSA-N	1	1	350.470	2.148	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc(CC#N)cc4Cl)C[C@H]3C2)cn1	ZINC001164774494	721226563	/nfs/dbraw/zinc/22/65/63/721226563.db2.gz	ZYBGWQDHYJPQCH-DLBZAZTESA-N	1	1	370.888	2.493	20	30		FEEDMO
N#Cc1c[nH]c2nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)ccc12	ZINC001164790964	721414311	/nfs/dbraw/zinc/41/43/11/721414311.db2.gz	YORUJQDWUJIJHT-OKILXGFUSA-N	1	1	350.451	2.459	20	30		FEEDMO
N#Cc1c[nH]c2nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)ccc12	ZINC001164790964	721414313	/nfs/dbraw/zinc/41/43/13/721414313.db2.gz	YORUJQDWUJIJHT-OKILXGFUSA-N	1	1	350.451	2.459	20	30		FEEDMO
Cc1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ccc1C#N	ZINC001164884032	721422572	/nfs/dbraw/zinc/42/25/72/721422572.db2.gz	CZNAEXZVNXBMDZ-TZIWHRDSSA-N	1	1	369.513	2.027	20	30		FEEDMO
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc(C#N)c(C#N)n1)CC2	ZINC001164796933	721501633	/nfs/dbraw/zinc/50/16/33/721501633.db2.gz	ZMEOJEMWRYKVLU-UHFFFAOYSA-N	1	1	373.464	2.496	20	30		FEEDMO
N#Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164897124	721520249	/nfs/dbraw/zinc/52/02/49/721520249.db2.gz	DSHHFENLLMTUJW-ZFWWWQNUSA-N	1	1	373.819	2.483	20	30		FEEDMO
N#Cc1ccc(-c2ccncc2)nc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2	ZINC001164966981	722074720	/nfs/dbraw/zinc/07/47/20/722074720.db2.gz	IHBRQPYJKCDGNP-KDURUIRLSA-N	1	1	361.449	2.315	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1	ZINC000473787194	818350265	/nfs/dbraw/zinc/35/02/65/818350265.db2.gz	NTOFRIQBXRATEN-UHFFFAOYSA-N	1	1	356.405	2.441	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CCOc1cccc(Br)c1	ZINC000818599574	675227540	/nfs/dbraw/zinc/22/75/40/675227540.db2.gz	ZARLBPCTZDUYJS-UHFFFAOYSA-N	1	1	353.260	2.289	20	30		FEEDMO
COc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000023451195	539714919	/nfs/dbraw/zinc/71/49/19/539714919.db2.gz	ASRNBLJXOPJGEE-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
COc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1	ZINC000023451195	539714920	/nfs/dbraw/zinc/71/49/20/539714920.db2.gz	ASRNBLJXOPJGEE-UHFFFAOYSA-N	1	1	350.422	2.310	20	30		FEEDMO
CC[N@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1	ZINC000024672514	539737575	/nfs/dbraw/zinc/73/75/75/539737575.db2.gz	GHUHUVUZYQIMBV-UHFFFAOYSA-N	1	1	354.454	2.278	20	30		FEEDMO
CC[N@@H+](CCO)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1	ZINC000024672514	539737580	/nfs/dbraw/zinc/73/75/80/539737580.db2.gz	GHUHUVUZYQIMBV-UHFFFAOYSA-N	1	1	354.454	2.278	20	30		FEEDMO
CC(C)(C)CC(=O)N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1	ZINC000027601121	539811726	/nfs/dbraw/zinc/81/17/26/539811726.db2.gz	HNWGSHGTDIMUGU-UHFFFAOYSA-N	1	1	356.470	2.467	20	30		FEEDMO
Cc1nnc(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c(C#N)c1C	ZINC000029618826	539859314	/nfs/dbraw/zinc/85/93/14/539859314.db2.gz	VUQDHTVNMBFQHS-UHFFFAOYSA-N	1	1	354.433	2.338	20	30		FEEDMO
CCCCNC(=O)C1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1	ZINC000029927267	539869020	/nfs/dbraw/zinc/86/90/20/539869020.db2.gz	ULLZRSNAMUKIMU-UHFFFAOYSA-N	1	1	362.518	2.300	20	30		FEEDMO
CC(C)N(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1	ZINC000030977381	539894937	/nfs/dbraw/zinc/89/49/37/539894937.db2.gz	CDXNFKXNNCYOQK-HNAYVOBHSA-N	1	1	350.507	2.008	20	30		FEEDMO
CC(C)OC(=O)CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000045217218	540207252	/nfs/dbraw/zinc/20/72/52/540207252.db2.gz	IFVCRSYQBKZNOB-UHFFFAOYSA-N	1	1	372.469	2.117	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(CNC(=O)N(C)C[C@H](C)C#N)cc2)CC1	ZINC000046121473	540243260	/nfs/dbraw/zinc/24/32/60/540243260.db2.gz	WXAFLQJRXBGJDA-QGZVFWFLSA-N	1	1	357.502	2.125	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)NC1CC[NH+](CC(=O)NCCC)CC1	ZINC000046869350	540274157	/nfs/dbraw/zinc/27/41/57/540274157.db2.gz	GHVWHROLTAFEAR-UHFFFAOYSA-N	1	1	372.513	2.375	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1	ZINC000050092425	540399175	/nfs/dbraw/zinc/39/91/75/540399175.db2.gz	SKUKYJQTOMKESD-MRXNPFEDSA-N	1	1	360.458	2.435	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1cccs1)C[C@H]1CCCO1	ZINC000053133946	540512465	/nfs/dbraw/zinc/51/24/65/540512465.db2.gz	YILSOQCABGJZJC-MRXNPFEDSA-N	1	1	360.483	2.385	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+](Cc1cccs1)C[C@H]1CCCO1	ZINC000053133946	540512468	/nfs/dbraw/zinc/51/24/68/540512468.db2.gz	YILSOQCABGJZJC-MRXNPFEDSA-N	1	1	360.483	2.385	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1	ZINC000054181438	540573486	/nfs/dbraw/zinc/57/34/86/540573486.db2.gz	HWOCXVCRJXATMD-MRXNPFEDSA-N	1	1	363.421	2.242	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1	ZINC000054181438	540573488	/nfs/dbraw/zinc/57/34/88/540573488.db2.gz	HWOCXVCRJXATMD-MRXNPFEDSA-N	1	1	363.421	2.242	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000076300392	542257127	/nfs/dbraw/zinc/25/71/27/542257127.db2.gz	QFVFMXBZCAFHQT-LLVKDONJSA-N	1	1	370.375	2.362	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1	ZINC000058459052	540843741	/nfs/dbraw/zinc/84/37/41/540843741.db2.gz	CPEINMISJWOTQY-HZHRSRAPSA-N	1	1	367.449	2.429	20	30		FEEDMO
N#Cc1ccc(-n2ccc(NC(=O)NCC[NH+]3CCSCC3)n2)c(F)c1	ZINC000541100565	541150203	/nfs/dbraw/zinc/15/02/03/541150203.db2.gz	GXNKRHQICWWLDT-UHFFFAOYSA-N	1	1	374.445	2.053	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(C(=O)N2CCCCC2)CC1)C1(C#N)CCCCC1	ZINC000061761530	541138935	/nfs/dbraw/zinc/13/89/35/541138935.db2.gz	SWPQAFIXXKJPFQ-UHFFFAOYSA-N	1	1	374.529	2.396	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1	ZINC000065253951	541230822	/nfs/dbraw/zinc/23/08/22/541230822.db2.gz	VDUSDALLVLEEHD-FRQCXROJSA-N	1	1	350.507	2.058	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000066196124	541289687	/nfs/dbraw/zinc/28/96/87/541289687.db2.gz	WCFTYBOLYGCJOC-HNNXBMFYSA-N	1	1	361.465	2.259	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(C)=O)C1	ZINC000067413658	541459792	/nfs/dbraw/zinc/45/97/92/541459792.db2.gz	HRUNGIOVUMUSOA-NVXWUHKLSA-N	1	1	363.527	2.499	20	30		FEEDMO
CC(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000067414833	541460365	/nfs/dbraw/zinc/46/03/65/541460365.db2.gz	OJWXHSXZXJMBAT-AWEZNQCLSA-N	1	1	362.861	2.388	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2nnc3ccccn32)CC1	ZINC000067443426	541465066	/nfs/dbraw/zinc/46/50/66/541465066.db2.gz	XJPAGIIUYMXNCS-YWZLYKJASA-N	1	1	368.485	2.352	20	30		FEEDMO
Cc1cccc(OC[C@@H](O)C[N@H+]2CCCN(c3ncccc3C#N)CC2)c1	ZINC000067460049	541466609	/nfs/dbraw/zinc/46/66/09/541466609.db2.gz	UIVMVXDBVXOYSA-IBGZPJMESA-N	1	1	366.465	2.214	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)NC2CCCCC2)CC1	ZINC000068343856	541580136	/nfs/dbraw/zinc/58/01/36/541580136.db2.gz	OSJFHYJXMPPRJT-FQEVSTJZSA-N	1	1	362.518	2.202	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1	ZINC000068444882	541593181	/nfs/dbraw/zinc/59/31/81/541593181.db2.gz	FBXMNQWJFZLNET-FQEVSTJZSA-N	1	1	367.493	2.015	20	30		FEEDMO
CC[C@@H](C)[C@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)C(=O)OC	ZINC000069520640	541693272	/nfs/dbraw/zinc/69/32/72/541693272.db2.gz	PLLRDTINEWTEBP-BEFAXECRSA-N	1	1	359.470	2.473	20	30		FEEDMO
CCCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1	ZINC000072629346	541841006	/nfs/dbraw/zinc/84/10/06/541841006.db2.gz	GOSRZPUGNDHVID-KRWDZBQOSA-N	1	1	363.483	2.176	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NCC[N@@H+]1CC=C(C)CC1	ZINC000545190843	541897263	/nfs/dbraw/zinc/89/72/63/541897263.db2.gz	UHCGVUUDXQQSKV-UHFFFAOYSA-N	1	1	365.441	2.221	20	30		FEEDMO
CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	ZINC000072958927	541898543	/nfs/dbraw/zinc/89/85/43/541898543.db2.gz	CGHBNSNETKHPJA-AWEZNQCLSA-N	1	1	357.332	2.159	20	30		FEEDMO
CC[N@H+]1CCO[C@H](C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1	ZINC000072958927	541898545	/nfs/dbraw/zinc/89/85/45/541898545.db2.gz	CGHBNSNETKHPJA-AWEZNQCLSA-N	1	1	357.332	2.159	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC3(CNC(=O)C3)CC2)c1C	ZINC000075014000	542144844	/nfs/dbraw/zinc/14/48/44/542144844.db2.gz	CWTUEGGVRVSNJU-UHFFFAOYSA-N	1	1	368.481	2.152	20	30		FEEDMO
CCN1CC[NH+](CCC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1	ZINC000075536204	542186354	/nfs/dbraw/zinc/18/63/54/542186354.db2.gz	AJARLTZONXQSRU-PMACEKPBSA-N	1	1	354.498	2.312	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1	ZINC000076397478	542274395	/nfs/dbraw/zinc/27/43/95/542274395.db2.gz	PEUOLBHFTCXAGH-INIZCTEOSA-N	1	1	360.421	2.419	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1	ZINC000076397478	542274396	/nfs/dbraw/zinc/27/43/96/542274396.db2.gz	PEUOLBHFTCXAGH-INIZCTEOSA-N	1	1	360.421	2.419	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@H+](CC)C[C@H]3C)cc2C1=O	ZINC000076483339	542283919	/nfs/dbraw/zinc/28/39/19/542283919.db2.gz	DKHHIPRNRTUPLR-KDOFPFPSSA-N	1	1	369.465	2.271	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000076589397	542297309	/nfs/dbraw/zinc/29/73/09/542297309.db2.gz	OUYQOTARTHVGLZ-MQVJKMGUSA-N	1	1	370.453	2.027	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(CN2CCOCC2)CC1	ZINC000076682647	542311877	/nfs/dbraw/zinc/31/18/77/542311877.db2.gz	ZIEQAGBEHKEIRS-OAQYLSRUSA-N	1	1	374.525	2.199	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1	ZINC000076842726	542326300	/nfs/dbraw/zinc/32/63/00/542326300.db2.gz	SKCIZVXTUJYODG-KRWDZBQOSA-N	1	1	360.477	2.342	20	30		FEEDMO
CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1	ZINC000051003039	221033048	/nfs/dbraw/zinc/03/30/48/221033048.db2.gz	RENGOLUZWTXKSX-QGZVFWFLSA-N	1	1	356.470	2.171	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1	ZINC000054204383	221051787	/nfs/dbraw/zinc/05/17/87/221051787.db2.gz	YBBNVZMTZUHSBX-QGZVFWFLSA-N	1	1	358.486	2.465	20	30		FEEDMO
COC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCO[C@@H](C)C#N)CC1	ZINC000801915640	674154695	/nfs/dbraw/zinc/15/46/95/674154695.db2.gz	UBCROKXOFAIQIY-YOEHRIQHSA-N	1	1	365.861	2.100	20	30		FEEDMO
CO[C@@H](C)c1nc(CN2CCC[N@@H+](CCO[C@@H](C)C#N)CC2)cs1	ZINC000801926684	674155372	/nfs/dbraw/zinc/15/53/72/674155372.db2.gz	UYRJSOWSEOWBEX-GJZGRUSLSA-N	1	1	352.504	2.287	20	30		FEEDMO
CCN(C[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1)CC(F)(F)F	ZINC000081558831	542665307	/nfs/dbraw/zinc/66/53/07/542665307.db2.gz	LEJYGBPWUMHKET-ZBFHGGJFSA-N	1	1	368.403	2.291	20	30		FEEDMO
CCN(C[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1)CC(F)(F)F	ZINC000081558831	542665311	/nfs/dbraw/zinc/66/53/11/542665311.db2.gz	LEJYGBPWUMHKET-ZBFHGGJFSA-N	1	1	368.403	2.291	20	30		FEEDMO
CC[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000551742932	674161079	/nfs/dbraw/zinc/16/10/79/674161079.db2.gz	QHIQOSJHMSMCKD-GFCCVEGCSA-N	1	1	362.499	2.408	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000551742932	674161080	/nfs/dbraw/zinc/16/10/80/674161080.db2.gz	QHIQOSJHMSMCKD-GFCCVEGCSA-N	1	1	362.499	2.408	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@H](C)C1	ZINC000089265734	542759357	/nfs/dbraw/zinc/75/93/57/542759357.db2.gz	NXLRULLTPZETDL-LLVKDONJSA-N	1	1	356.348	2.046	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)[C@H](C)C1	ZINC000089265734	542759359	/nfs/dbraw/zinc/75/93/59/542759359.db2.gz	NXLRULLTPZETDL-LLVKDONJSA-N	1	1	356.348	2.046	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)C[C@@H](C)O1	ZINC000092506607	542867668	/nfs/dbraw/zinc/86/76/68/542867668.db2.gz	LVGUUKFHELNPRR-NUJGCVRESA-N	1	1	353.470	2.280	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)C[C@@H](C)O1	ZINC000092506607	542867669	/nfs/dbraw/zinc/86/76/69/542867669.db2.gz	LVGUUKFHELNPRR-NUJGCVRESA-N	1	1	353.470	2.280	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCCN(C(N)=O)CC2)c(-c2ccccc2)n1	ZINC000092753997	542885003	/nfs/dbraw/zinc/88/50/03/542885003.db2.gz	MTNQOWPHPBXEEJ-UHFFFAOYSA-N	1	1	352.442	2.050	20	30		FEEDMO
N#Cc1ccncc1NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000094139973	542953722	/nfs/dbraw/zinc/95/37/22/542953722.db2.gz	GQSXUVCNXNXPQH-UHFFFAOYSA-N	1	1	365.437	2.226	20	30		FEEDMO
N#C[C@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)CCO1	ZINC000247438992	549334151	/nfs/dbraw/zinc/33/41/51/549334151.db2.gz	ZROTUOPRJMTAOB-RDJZCZTQSA-N	1	1	367.371	2.192	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)Nc1cccnc1-n1cc[nH+]c1C	ZINC000098099299	543020679	/nfs/dbraw/zinc/02/06/79/543020679.db2.gz	GOAHIDQSPQCZCD-UHFFFAOYSA-N	1	1	363.377	2.474	20	30		FEEDMO
Cc1csc(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)n1	ZINC000101544440	543030162	/nfs/dbraw/zinc/03/01/62/543030162.db2.gz	BVJVRTBPJVJWTC-UHFFFAOYSA-N	1	1	355.467	2.474	20	30		FEEDMO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1	ZINC000247451449	549334588	/nfs/dbraw/zinc/33/45/88/549334588.db2.gz	QGTFLOYDWFXLTF-SUMWQHHRSA-N	1	1	368.485	2.092	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(C(=O)NCc3ccc(C#N)cc3F)cc2)CC1	ZINC000105653642	543179016	/nfs/dbraw/zinc/17/90/16/543179016.db2.gz	JTAGBNHWESVERY-UHFFFAOYSA-N	1	1	366.440	2.375	20	30		FEEDMO
COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+](C[C@@H](C)O)C(C)C	ZINC000107042456	543260083	/nfs/dbraw/zinc/26/00/83/543260083.db2.gz	FPCRKHOMAFLLTL-CQSZACIVSA-N	1	1	364.490	2.043	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1	ZINC000109404202	543324069	/nfs/dbraw/zinc/32/40/69/543324069.db2.gz	XUHFTZSNJBVFDZ-MRXNPFEDSA-N	1	1	358.486	2.033	20	30		FEEDMO
N#CCOc1ccc(CC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1	ZINC000110658431	543364612	/nfs/dbraw/zinc/36/46/12/543364612.db2.gz	MFGHILJMGCAEAY-UHFFFAOYSA-N	1	1	355.463	2.367	20	30		FEEDMO
N#CCOc1ccc(CC(=O)NCC[N@H+]2CCc3sccc3C2)cc1	ZINC000110658431	543364614	/nfs/dbraw/zinc/36/46/14/543364614.db2.gz	MFGHILJMGCAEAY-UHFFFAOYSA-N	1	1	355.463	2.367	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCCC[N@@H+]3CC)cc2C1=O	ZINC000110998301	543378624	/nfs/dbraw/zinc/37/86/24/543378624.db2.gz	YGZYNVMWKQWQPW-OAHLLOKOSA-N	1	1	355.438	2.073	20	30		FEEDMO
COc1ccc(OC)c(C[N@@H+](CCO)CCOc2ccc(C#N)cc2)c1	ZINC000111271515	543391822	/nfs/dbraw/zinc/39/18/22/543391822.db2.gz	PCRQBNSAZBLLCH-UHFFFAOYSA-N	1	1	356.422	2.449	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2	ZINC000111917637	543425711	/nfs/dbraw/zinc/42/57/11/543425711.db2.gz	JTGCWUIENSXVKM-UHFFFAOYSA-N	1	1	365.433	2.452	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2	ZINC000111917637	543425713	/nfs/dbraw/zinc/42/57/13/543425713.db2.gz	JTGCWUIENSXVKM-UHFFFAOYSA-N	1	1	365.433	2.452	20	30		FEEDMO
C[NH+](C)CCN1CCC(CNC(=O)CSCc2ccc(C#N)cc2)CC1	ZINC000114382368	543512527	/nfs/dbraw/zinc/51/25/27/543512527.db2.gz	BKWAMAOZCGUYHK-UHFFFAOYSA-N	1	1	374.554	2.181	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000115538625	543572419	/nfs/dbraw/zinc/57/24/19/543572419.db2.gz	VATAPYDJUIBMRO-WBAXXEDZSA-N	1	1	356.470	2.101	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000115538625	543572421	/nfs/dbraw/zinc/57/24/21/543572421.db2.gz	VATAPYDJUIBMRO-WBAXXEDZSA-N	1	1	356.470	2.101	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1	ZINC000121295300	543692151	/nfs/dbraw/zinc/69/21/51/543692151.db2.gz	ISPOPGDJCNVVIC-SFHVURJKSA-N	1	1	359.470	2.379	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1	ZINC000121295300	543692154	/nfs/dbraw/zinc/69/21/54/543692154.db2.gz	ISPOPGDJCNVVIC-SFHVURJKSA-N	1	1	359.470	2.379	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1	ZINC000118897874	543662036	/nfs/dbraw/zinc/66/20/36/543662036.db2.gz	SXPBGNGUNAHRCR-CABCVRRESA-N	1	1	374.510	2.335	20	30		FEEDMO
N#CCCN(C(=O)C[NH+]1CCC(CC(N)=O)CC1)c1cccc(Cl)c1	ZINC000119360484	543666599	/nfs/dbraw/zinc/66/65/99/543666599.db2.gz	JWTDSYGRAQHVMJ-UHFFFAOYSA-N	1	1	362.861	2.174	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1	ZINC000122818624	543725215	/nfs/dbraw/zinc/72/52/15/543725215.db2.gz	OQLUZDFGBPBMDR-DNVCBOLYSA-N	1	1	362.433	2.276	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)CC1	ZINC000122878692	543728996	/nfs/dbraw/zinc/72/89/96/543728996.db2.gz	CUUBFMJMPROXNM-OAHLLOKOSA-N	1	1	357.454	2.353	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)CC1	ZINC000122878692	543728998	/nfs/dbraw/zinc/72/89/98/543728998.db2.gz	CUUBFMJMPROXNM-OAHLLOKOSA-N	1	1	357.454	2.353	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCc3cccnc3)CC2)cc1	ZINC000122874267	543729254	/nfs/dbraw/zinc/72/92/54/543729254.db2.gz	FWUAOXLJOQMMRC-UHFFFAOYSA-N	1	1	363.465	2.413	20	30		FEEDMO
C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1	ZINC000122916587	543731438	/nfs/dbraw/zinc/73/14/38/543731438.db2.gz	HIQMVCCTWFCYST-KXBFYZLASA-N	1	1	362.433	2.276	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1	ZINC000122044675	543702583	/nfs/dbraw/zinc/70/25/83/543702583.db2.gz	YJIUINULIHADLZ-CRAIPNDOSA-N	1	1	357.454	2.133	20	30		FEEDMO
CCc1cccc(CC)c1NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125462006	543882990	/nfs/dbraw/zinc/88/29/90/543882990.db2.gz	OMWFZCGZSIJVOA-UHFFFAOYSA-N	1	1	368.485	2.491	20	30		FEEDMO
CN(CCC#N)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000126376699	543932936	/nfs/dbraw/zinc/93/29/36/543932936.db2.gz	GRKNOJGOMZYPDS-UHFFFAOYSA-N	1	1	355.442	2.351	20	30		FEEDMO
C#CCCOc1ccc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1	ZINC000129308832	544104467	/nfs/dbraw/zinc/10/44/67/544104467.db2.gz	XQYKEXKUJOBGDX-UHFFFAOYSA-N	1	1	369.509	2.219	20	30		FEEDMO
C#CCCOc1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1	ZINC000129308832	544104469	/nfs/dbraw/zinc/10/44/69/544104469.db2.gz	XQYKEXKUJOBGDX-UHFFFAOYSA-N	1	1	369.509	2.219	20	30		FEEDMO
C=C(C)Cn1c(SCC(=O)NCC[N@H+](C)CC)nnc1-c1ccco1	ZINC000130981795	544172970	/nfs/dbraw/zinc/17/29/70/544172970.db2.gz	CXGHPTGXTBRVGM-UHFFFAOYSA-N	1	1	363.487	2.274	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(OC[C@H]2CCOC2)CC1)C1(C#N)CCCCC1	ZINC000132074393	544217943	/nfs/dbraw/zinc/21/79/43/544217943.db2.gz	XDYWZUUOJNYPBU-KRWDZBQOSA-N	1	1	363.502	2.189	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1C#N	ZINC000134141377	544295766	/nfs/dbraw/zinc/29/57/66/544295766.db2.gz	GDPKRCRVHQNXNF-OAHLLOKOSA-N	1	1	372.469	2.084	20	30		FEEDMO
CCN(CC)C(=O)CN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1	ZINC000135109072	544334598	/nfs/dbraw/zinc/33/45/98/544334598.db2.gz	CJJCGYAWGRYXSZ-UHFFFAOYSA-N	1	1	356.514	2.474	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC000141560813	544413803	/nfs/dbraw/zinc/41/38/03/544413803.db2.gz	LFTRFFLFNATVFY-QGZVFWFLSA-N	1	1	357.454	2.423	20	30		FEEDMO
COc1ccccc1[C@H](CNC(=O)CNc1cccc(C#N)c1)[NH+](C)C	ZINC000151073484	544502272	/nfs/dbraw/zinc/50/22/72/544502272.db2.gz	DNRYXAVFJIFPTC-SFHVURJKSA-N	1	1	352.438	2.398	20	30		FEEDMO
CN(C(=O)c1ccc(NC(=O)C2(C#N)CCC2)cc1)[C@@H]1CCC[N@@H+](C)C1	ZINC000151782237	544579017	/nfs/dbraw/zinc/57/90/17/544579017.db2.gz	HKGJBSGBCYETGW-QGZVFWFLSA-N	1	1	354.454	2.485	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1	ZINC000151862182	544589083	/nfs/dbraw/zinc/58/90/83/544589083.db2.gz	HASRZJVANRWIGA-HIFRSBDPSA-N	1	1	370.453	2.025	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1	ZINC000152425475	544651388	/nfs/dbraw/zinc/65/13/88/544651388.db2.gz	CIFTWYWMWJIFBA-TXEJJXNPSA-N	1	1	351.397	2.454	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2c(F)cc(C#N)cc2F)C[C@H](C)O1	ZINC000152425475	544651391	/nfs/dbraw/zinc/65/13/91/544651391.db2.gz	CIFTWYWMWJIFBA-TXEJJXNPSA-N	1	1	351.397	2.454	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1cc(Cl)ccc1F	ZINC000153296878	544757025	/nfs/dbraw/zinc/75/70/25/544757025.db2.gz	XTQXTNOHGSRWJI-UHFFFAOYSA-N	1	1	364.812	2.159	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153326216	544761821	/nfs/dbraw/zinc/76/18/21/544761821.db2.gz	OYXQQCUWMYCTAW-SNVBAGLBSA-N	1	1	362.384	2.033	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000153766285	544819886	/nfs/dbraw/zinc/81/98/86/544819886.db2.gz	XLLZRGVYASZFMK-GOSISDBHSA-N	1	1	367.409	2.107	20	30		FEEDMO
CS(=O)(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1ccccc1	ZINC000181785339	327746226	/nfs/dbraw/zinc/74/62/26/327746226.db2.gz	SXQYHYYACDFBDO-GOSISDBHSA-N	1	1	371.462	2.262	20	30		FEEDMO
C[NH+]1CCN(C(=O)CC2CCN(c3nc(Cl)c(C#N)s3)CC2)CC1	ZINC000804444129	674287479	/nfs/dbraw/zinc/28/74/79/674287479.db2.gz	VLZRJBLKGPSYGZ-UHFFFAOYSA-N	1	1	367.906	2.049	20	30		FEEDMO
C[NH+]1CCN([C@H]2CCCCN(C(=O)C3(c4ccc(C#N)cc4)CC3)C2)CC1	ZINC000187495625	328029804	/nfs/dbraw/zinc/02/98/04/328029804.db2.gz	FUKYZWNXWOHCTP-FQEVSTJZSA-N	1	1	366.509	2.218	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)C[C@H](C)O1	ZINC000187988545	328058526	/nfs/dbraw/zinc/05/85/26/328058526.db2.gz	XXEVPTKECVYBQH-GASCZTMLSA-N	1	1	357.454	2.225	20	30		FEEDMO
N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1	ZINC000078728697	325060006	/nfs/dbraw/zinc/06/00/06/325060006.db2.gz	GSAMUYHMXSOIMF-IBGZPJMESA-N	1	1	362.433	2.278	20	30		FEEDMO
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1cc(C#N)ccc1Cl)C2	ZINC000088779755	325301380	/nfs/dbraw/zinc/30/13/80/325301380.db2.gz	WPJMGWUONSWSMG-AGUYFDCRSA-N	1	1	360.845	2.282	20	30		FEEDMO
C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089942674	325344089	/nfs/dbraw/zinc/34/40/89/325344089.db2.gz	CTHJGJOICSDAJI-CYBMUJFWSA-N	1	1	372.448	2.087	20	30		FEEDMO
Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943755	325344428	/nfs/dbraw/zinc/34/44/28/325344428.db2.gz	HYRLHNBHBFHNLP-CABCVRRESA-N	1	1	368.485	2.302	20	30		FEEDMO
COCCOc1cccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1	ZINC000091936562	325398765	/nfs/dbraw/zinc/39/87/65/325398765.db2.gz	FLYRAWRRQAWEJW-MRXNPFEDSA-N	1	1	367.453	2.084	20	30		FEEDMO
COCCOc1cccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1	ZINC000091936562	325398767	/nfs/dbraw/zinc/39/87/67/325398767.db2.gz	FLYRAWRRQAWEJW-MRXNPFEDSA-N	1	1	367.453	2.084	20	30		FEEDMO
N#Cc1cccc(NC(=O)C2CC[NH+](CC(=O)Nc3ccncc3)CC2)c1	ZINC000116736812	326031799	/nfs/dbraw/zinc/03/17/99/326031799.db2.gz	CMPLTDZTEKNIDF-UHFFFAOYSA-N	1	1	363.421	2.242	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1	ZINC000119745744	326194032	/nfs/dbraw/zinc/19/40/32/326194032.db2.gz	INTRLTIXCOBACR-UHFFFAOYSA-N	1	1	358.467	2.076	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)[C@H]1CCN(c2ccc(Cl)cc2)C1=O	ZINC000121458303	326340277	/nfs/dbraw/zinc/34/02/77/326340277.db2.gz	ZLVWQRYNASMBJH-INIZCTEOSA-N	1	1	372.860	2.187	20	30		FEEDMO
CCC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2C#N)CC[N@H+]1CCOC	ZINC000121636916	326353994	/nfs/dbraw/zinc/35/39/94/326353994.db2.gz	AGZCYDMZUJYUIE-FUHWJXTLSA-N	1	1	358.486	2.318	20	30		FEEDMO
CCC[C@H]1CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1CCOC	ZINC000121670325	326356796	/nfs/dbraw/zinc/35/67/96/326356796.db2.gz	FSHDDDZMXDINPI-LPHOPBHVSA-N	1	1	358.486	2.318	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[NH+]2CCC(Cn3ccnn3)CC2)cc1Cl	ZINC000155857712	326808058	/nfs/dbraw/zinc/80/80/58/326808058.db2.gz	VAWAWTGCBAOVLJ-UHFFFAOYSA-N	1	1	358.833	2.154	20	30		FEEDMO
N#Cc1ccc([C@@H]([NH2+]CCOc2ncccc2C(F)(F)F)C(N)=O)cc1	ZINC000161550521	327002603	/nfs/dbraw/zinc/00/26/03/327002603.db2.gz	YZMVJPOHZZWQFL-CQSZACIVSA-N	1	1	364.327	2.167	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1C#N	ZINC000162340087	327022963	/nfs/dbraw/zinc/02/29/63/327022963.db2.gz	ASBNRUURRZJCLL-KDOFPFPSSA-N	1	1	373.453	2.496	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000163232177	327046833	/nfs/dbraw/zinc/04/68/33/327046833.db2.gz	OPBKCSUABGNPKH-UHFFFAOYSA-N	1	1	368.359	2.070	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C/c2ccccc2C#N)CC1	ZINC000170953412	327109940	/nfs/dbraw/zinc/10/99/40/327109940.db2.gz	MJPXRRXBTINIMK-SQUSKLHYSA-N	1	1	352.482	2.200	20	30		FEEDMO
COc1cccc([C@@H](CNS(=O)(=O)c2ccc(C#N)cc2C)[NH+](C)C)c1	ZINC000172671447	327214054	/nfs/dbraw/zinc/21/40/54/327214054.db2.gz	CIDXALWMHRHQLF-GOSISDBHSA-N	1	1	373.478	2.457	20	30		FEEDMO
C[C@H](NC(=O)COc1ccccc1C#N)C1([NH+]2CCOCC2)CCCC1	ZINC000173178409	327239281	/nfs/dbraw/zinc/23/92/81/327239281.db2.gz	XPCAKDCHHSQGER-INIZCTEOSA-N	1	1	357.454	2.087	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNS(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000173312034	327249046	/nfs/dbraw/zinc/24/90/46/327249046.db2.gz	VAKYNTWYGPGBGT-UHFFFAOYSA-N	1	1	352.847	2.475	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1NCc1cccc(C[NH+]2CCOCC2)c1	ZINC000263775520	328961337	/nfs/dbraw/zinc/96/13/37/328961337.db2.gz	XLSHWRDOYFHHNQ-UHFFFAOYSA-N	1	1	353.382	2.306	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000264288330	329007366	/nfs/dbraw/zinc/00/73/66/329007366.db2.gz	TYVVODRAGFEMQB-JTDSTZFVSA-N	1	1	356.470	2.341	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)NCc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000264288330	329007367	/nfs/dbraw/zinc/00/73/67/329007367.db2.gz	TYVVODRAGFEMQB-JTDSTZFVSA-N	1	1	356.470	2.341	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNc1c(C#N)cnc2ccc(OC(F)F)cc21	ZINC000264688878	329049080	/nfs/dbraw/zinc/04/90/80/329049080.db2.gz	BSQYSTCDKVGQMP-CYBMUJFWSA-N	1	1	361.396	2.366	20	30		FEEDMO
CC[N@@H+](C)CCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000264950279	329077643	/nfs/dbraw/zinc/07/76/43/329077643.db2.gz	XXSHBJFINJJNRP-UHFFFAOYSA-N	1	1	371.441	2.091	20	30		FEEDMO
CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000266232371	329202861	/nfs/dbraw/zinc/20/28/61/329202861.db2.gz	UTUFAKNWTXHSSQ-GFCCVEGCSA-N	1	1	361.389	2.292	20	30		FEEDMO
CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000266232371	329202863	/nfs/dbraw/zinc/20/28/63/329202863.db2.gz	UTUFAKNWTXHSSQ-GFCCVEGCSA-N	1	1	361.389	2.292	20	30		FEEDMO
C[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCOCC1	ZINC000416697188	330261653	/nfs/dbraw/zinc/26/16/53/330261653.db2.gz	VJCPEMDZPUEVJX-HNAYVOBHSA-N	1	1	356.470	2.203	20	30		FEEDMO
CN(CC(=O)NCC(F)(F)F)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000328652313	522405587	/nfs/dbraw/zinc/40/55/87/522405587.db2.gz	WILNPEQBJGNAAE-SWLSCSKDSA-N	1	1	361.412	2.254	20	30		FEEDMO
Cn1cc([C@H]2[C@H](C[N@H+](C)CC(=O)NCC(F)(F)F)CCCN2C)cn1	ZINC000328652313	522405594	/nfs/dbraw/zinc/40/55/94/522405594.db2.gz	WILNPEQBJGNAAE-SWLSCSKDSA-N	1	1	361.412	2.254	20	30		FEEDMO
Cn1cc([C@H]2[C@H](C[N@@H+](C)CC(=O)NCC(F)(F)F)CCCN2C)cn1	ZINC000328652313	522405604	/nfs/dbraw/zinc/40/56/04/522405604.db2.gz	WILNPEQBJGNAAE-SWLSCSKDSA-N	1	1	361.412	2.254	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000555406662	674359615	/nfs/dbraw/zinc/35/96/15/674359615.db2.gz	NKNKAOMVZUADKM-INIZCTEOSA-N	1	1	365.474	2.191	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000155622196	545551235	/nfs/dbraw/zinc/55/12/35/545551235.db2.gz	QEKARPHEKYAXIL-PKOBYXMFSA-N	1	1	357.502	2.289	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1	ZINC000477482271	561145969	/nfs/dbraw/zinc/14/59/69/561145969.db2.gz	RYUMHWBLEPKNSM-UHFFFAOYSA-N	1	1	371.547	2.080	20	30		FEEDMO
C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(C#N)[nH]2)C[C@H](C)O1	ZINC000158358920	545853657	/nfs/dbraw/zinc/85/36/57/545853657.db2.gz	CTCVBDQFZGNETO-GJZGRUSLSA-N	1	1	352.438	2.426	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1	ZINC000158565898	545871700	/nfs/dbraw/zinc/87/17/00/545871700.db2.gz	XEAPVHKGRTTZQA-CYBMUJFWSA-N	1	1	351.447	2.335	20	30		FEEDMO
C=CC[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1cccc([N+](=O)[O-])c1	ZINC000159749096	545977749	/nfs/dbraw/zinc/97/77/49/545977749.db2.gz	YLUZQMZPOPTAMG-UHFFFAOYSA-N	1	1	372.425	2.447	20	30		FEEDMO
C=CC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)Cc1cccc([N+](=O)[O-])c1	ZINC000159749096	545977753	/nfs/dbraw/zinc/97/77/53/545977753.db2.gz	YLUZQMZPOPTAMG-UHFFFAOYSA-N	1	1	372.425	2.447	20	30		FEEDMO
C[NH+]1CCN(C(=O)CC2CCN(Cc3cc(F)ccc3C#N)CC2)CC1	ZINC000160320656	546029187	/nfs/dbraw/zinc/02/91/87/546029187.db2.gz	ZRSPPLQSNIDZBM-UHFFFAOYSA-N	1	1	358.461	2.073	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)[N@H+]3CCCC[C@H]3C)cc2C1=O	ZINC000478671306	561172354	/nfs/dbraw/zinc/17/23/54/561172354.db2.gz	UMFFPFXLHYEHAM-HUUCEWRRSA-N	1	1	369.465	2.461	20	30		FEEDMO
CC(C)(O)C[NH+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1	ZINC000171671349	546218797	/nfs/dbraw/zinc/21/87/97/546218797.db2.gz	OYINFHVXMGZRAO-UHFFFAOYSA-N	1	1	368.481	2.126	20	30		FEEDMO
CNC(=O)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1	ZINC000175031792	546305953	/nfs/dbraw/zinc/30/59/53/546305953.db2.gz	NNKQJTNFENLRBX-QGZVFWFLSA-N	1	1	370.497	2.478	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)CC1	ZINC000175106947	546306321	/nfs/dbraw/zinc/30/63/21/546306321.db2.gz	KVXHCXRUMCQLAA-UHFFFAOYSA-N	1	1	353.444	2.140	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO	ZINC000175619764	546321985	/nfs/dbraw/zinc/32/19/85/546321985.db2.gz	DMQTWCAELOGLFN-MRXNPFEDSA-N	1	1	360.458	2.315	20	30		FEEDMO
COc1cc(/C=C/C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1OCC#N	ZINC000177056154	546533522	/nfs/dbraw/zinc/53/35/22/546533522.db2.gz	PBCHDOUFBMYINL-XSXXPSGLSA-N	1	1	355.438	2.352	20	30		FEEDMO
C=CCC[C@H](O)C[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1	ZINC000178045911	546729632	/nfs/dbraw/zinc/72/96/32/546729632.db2.gz	QTEDBTVOMWRECK-AWEZNQCLSA-N	1	1	354.397	2.373	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1	ZINC000178473960	546799440	/nfs/dbraw/zinc/79/94/40/546799440.db2.gz	PLEGLVJFZPEQGK-OAHLLOKOSA-N	1	1	364.449	2.442	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1	ZINC000178944106	546877820	/nfs/dbraw/zinc/87/78/20/546877820.db2.gz	UIOMPHOOPRTABH-ROUUACIJSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1	ZINC000178944106	546877823	/nfs/dbraw/zinc/87/78/23/546877823.db2.gz	UIOMPHOOPRTABH-ROUUACIJSA-N	1	1	359.426	2.421	20	30		FEEDMO
CCC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000179885152	547023963	/nfs/dbraw/zinc/02/39/63/547023963.db2.gz	KLSWOIFCPKSISD-SFHVURJKSA-N	1	1	372.494	2.358	20	30		FEEDMO
CCC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000179885152	547023966	/nfs/dbraw/zinc/02/39/66/547023966.db2.gz	KLSWOIFCPKSISD-SFHVURJKSA-N	1	1	372.494	2.358	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(C#N)cc2Cl)C1	ZINC000180174461	547063111	/nfs/dbraw/zinc/06/31/11/547063111.db2.gz	IYIBUQSGIWFPQX-HIFRSBDPSA-N	1	1	353.875	2.316	20	30		FEEDMO
C=C(C)CN(C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000180610972	547141468	/nfs/dbraw/zinc/14/14/68/547141468.db2.gz	ZAANLCQRBKCONR-UHFFFAOYSA-N	1	1	374.485	2.065	20	30		FEEDMO
N#Cc1ccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000180722605	547167328	/nfs/dbraw/zinc/16/73/28/547167328.db2.gz	QSSVIJSGVZZKRL-LJQANCHMSA-N	1	1	350.422	2.447	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(Cc2cccc(O)c2)CC1	ZINC000482959973	561264006	/nfs/dbraw/zinc/26/40/06/561264006.db2.gz	LTIZLHJYDXCVLR-UHFFFAOYSA-N	1	1	370.478	2.472	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)C[N@@H+](CCO)[C@H]1CCO[C@@H]1C	ZINC000483294813	561273281	/nfs/dbraw/zinc/27/32/81/561273281.db2.gz	JNFPMPSVIWQFBE-ZBFHGGJFSA-N	1	1	350.484	2.375	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)C[N@H+](CCO)[C@H]1CCO[C@@H]1C	ZINC000483294813	561273282	/nfs/dbraw/zinc/27/32/82/561273282.db2.gz	JNFPMPSVIWQFBE-ZBFHGGJFSA-N	1	1	350.484	2.375	20	30		FEEDMO
CC[N@@H+](CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)C(C)C	ZINC000483444213	561277167	/nfs/dbraw/zinc/27/71/67/561277167.db2.gz	IXWCQPXBCVSFCQ-AWEZNQCLSA-N	1	1	366.487	2.224	20	30		FEEDMO
C=CCCO[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000483497623	561278392	/nfs/dbraw/zinc/27/83/92/561278392.db2.gz	UVIHFRQYXJOCDZ-RDJZCZTQSA-N	1	1	359.470	2.304	20	30		FEEDMO
CC[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1c(C)noc1C	ZINC000182469282	547498805	/nfs/dbraw/zinc/49/88/05/547498805.db2.gz	REYNFCGDPGFLKJ-SJORKVTESA-N	1	1	361.490	2.025	20	30		FEEDMO
CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CC1	ZINC000182551469	547511557	/nfs/dbraw/zinc/51/15/57/547511557.db2.gz	OLYFOCSOBYHZEZ-UHFFFAOYSA-N	1	1	362.433	2.475	20	30		FEEDMO
CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182850071	547562081	/nfs/dbraw/zinc/56/20/81/547562081.db2.gz	ZGUXOSHTVDZBDI-WMZOPIPTSA-N	1	1	355.438	2.329	20	30		FEEDMO
CCOC(=O)[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000182850071	547562084	/nfs/dbraw/zinc/56/20/84/547562084.db2.gz	ZGUXOSHTVDZBDI-WMZOPIPTSA-N	1	1	355.438	2.329	20	30		FEEDMO
COCC[N@@H+]1[C@H](C)CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C	ZINC000182926895	547574381	/nfs/dbraw/zinc/57/43/81/547574381.db2.gz	KVGAVWGWEKJYCG-FUHIMQAGSA-N	1	1	370.497	2.095	20	30		FEEDMO
CN(C(=O)C[NH2+][C@H](C[S@@](C)=O)c1ccccc1)C1(C#N)CCCCC1	ZINC000183080707	547598073	/nfs/dbraw/zinc/59/80/73/547598073.db2.gz	KLSKSYLYHMNNOS-CRICUBBOSA-N	1	1	361.511	2.381	20	30		FEEDMO
CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1CCC(=O)N(C)CCC#N	ZINC000484309261	561296078	/nfs/dbraw/zinc/29/60/78/561296078.db2.gz	NZPSAWBBEHPQGL-OAQYLSRUSA-N	1	1	371.481	2.389	20	30		FEEDMO
CC[C@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@H+]1Cc1ccccc1	ZINC000183753546	547713956	/nfs/dbraw/zinc/71/39/56/547713956.db2.gz	FLPLFARFYPXSNO-FPOVZHCZSA-N	1	1	354.498	2.391	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCOCC2(CCOCC2)C1	ZINC000184119948	547772655	/nfs/dbraw/zinc/77/26/55/547772655.db2.gz	PXDVAHGMSJUEMG-SFHVURJKSA-N	1	1	371.481	2.451	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCOCC2(CCOCC2)C1	ZINC000184119948	547772656	/nfs/dbraw/zinc/77/26/56/547772656.db2.gz	PXDVAHGMSJUEMG-SFHVURJKSA-N	1	1	371.481	2.451	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1	ZINC000184220257	547790295	/nfs/dbraw/zinc/79/02/95/547790295.db2.gz	HAGKPDBIBWNVKZ-HNNXBMFYSA-N	1	1	359.474	2.104	20	30		FEEDMO
C[N@@H+](CCNC(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CCCC1	ZINC000184611318	547854273	/nfs/dbraw/zinc/85/42/73/547854273.db2.gz	IOOJDKFAHZKWTQ-UHFFFAOYSA-N	1	1	353.430	2.135	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1nnnn1-c1ccccc1	ZINC000184812889	547882125	/nfs/dbraw/zinc/88/21/25/547882125.db2.gz	DZSONYAOXLGVEH-CQSZACIVSA-N	1	1	364.409	2.272	20	30		FEEDMO
CCOC(=O)CC[N@H+](Cc1cccnc1)C[C@@H](O)c1ccc(C#N)cc1	ZINC000185243238	547958648	/nfs/dbraw/zinc/95/86/48/547958648.db2.gz	OAMIBTZBNRWWKN-LJQANCHMSA-N	1	1	353.422	2.442	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1	ZINC000485781952	561327903	/nfs/dbraw/zinc/32/79/03/561327903.db2.gz	ZTIXMIGVJDZVBB-AWEZNQCLSA-N	1	1	355.398	2.223	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCSC2(CCOCC2)C1)C1(C#N)CCCCC1	ZINC000186827177	548201678	/nfs/dbraw/zinc/20/16/78/548201678.db2.gz	AOSRHZSHVUSLJQ-UHFFFAOYSA-N	1	1	351.516	2.269	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1)C1CC1	ZINC000186937503	548223859	/nfs/dbraw/zinc/22/38/59/548223859.db2.gz	SJSDSYHZWFALAX-LJQANCHMSA-N	1	1	359.445	2.004	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000187114380	548250228	/nfs/dbraw/zinc/25/02/28/548250228.db2.gz	RKFRDHOXNGJTDB-HXUWFJFHSA-N	1	1	363.477	2.293	20	30		FEEDMO
COc1cc([C@@H](C#N)NC(=O)[C@H]2CCCc3[nH+]ccn32)cc(OC)c1OC	ZINC000486125517	561338693	/nfs/dbraw/zinc/33/86/93/561338693.db2.gz	VCUFFKPAVOHAEL-ZIAGYGMSSA-N	1	1	370.409	2.167	20	30		FEEDMO
C=C(C)[C@H]([NH2+]CC(=O)NC(=O)N[C@@H](C)COC)c1ccc(F)c(F)c1	ZINC000187758521	548262334	/nfs/dbraw/zinc/26/23/34/548262334.db2.gz	YOMUGIQMWHNJGX-ZBEGNZNMSA-N	1	1	355.385	2.032	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000188349620	548278146	/nfs/dbraw/zinc/27/81/46/548278146.db2.gz	BGPSUGLJZBXHSL-YLJYHZDGSA-N	1	1	359.470	2.304	20	30		FEEDMO
C=C[C@](C)(CCOC)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000188349620	548278148	/nfs/dbraw/zinc/27/81/48/548278148.db2.gz	BGPSUGLJZBXHSL-YLJYHZDGSA-N	1	1	359.470	2.304	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC2(O)CCOCC2)c1	ZINC000189780626	548310650	/nfs/dbraw/zinc/31/06/50/548310650.db2.gz	RJNZEESCVBCODM-SFHVURJKSA-N	1	1	373.497	2.412	20	30		FEEDMO
CC[C@@H](C)[C@@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)OC	ZINC000194540304	548496671	/nfs/dbraw/zinc/49/66/71/548496671.db2.gz	MPRNDIMZNLNSMO-AUUYWEPGSA-N	1	1	357.454	2.227	20	30		FEEDMO
CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)OC	ZINC000194540304	548496674	/nfs/dbraw/zinc/49/66/74/548496674.db2.gz	MPRNDIMZNLNSMO-AUUYWEPGSA-N	1	1	357.454	2.227	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1	ZINC000194917239	548550579	/nfs/dbraw/zinc/55/05/79/548550579.db2.gz	ZLUQBQFEKUYRJW-SOUVJXGZSA-N	1	1	372.494	2.039	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245387972	548904295	/nfs/dbraw/zinc/90/42/95/548904295.db2.gz	BCRIKTCOYUJZTB-MJGOQNOKSA-N	1	1	368.481	2.148	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245387972	548904298	/nfs/dbraw/zinc/90/42/98/548904298.db2.gz	BCRIKTCOYUJZTB-MJGOQNOKSA-N	1	1	368.481	2.148	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000245436088	548919060	/nfs/dbraw/zinc/91/90/60/548919060.db2.gz	DEPARLISAJCBJR-LSDHHAIUSA-N	1	1	361.446	2.289	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000245436088	548919062	/nfs/dbraw/zinc/91/90/62/548919062.db2.gz	DEPARLISAJCBJR-LSDHHAIUSA-N	1	1	361.446	2.289	20	30		FEEDMO
C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O	ZINC000245798782	548995545	/nfs/dbraw/zinc/99/55/45/548995545.db2.gz	HIRBGAJLKXQZPK-QUCCMNQESA-N	1	1	365.433	2.035	20	30		FEEDMO
C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O	ZINC000245798782	548995553	/nfs/dbraw/zinc/99/55/53/548995553.db2.gz	HIRBGAJLKXQZPK-QUCCMNQESA-N	1	1	365.433	2.035	20	30		FEEDMO
Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)n1	ZINC000246093484	549049783	/nfs/dbraw/zinc/04/97/83/549049783.db2.gz	NYUBPQBBRWOSBR-VQTJNVASSA-N	1	1	369.513	2.219	20	30		FEEDMO
Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)n1	ZINC000246093484	549049784	/nfs/dbraw/zinc/04/97/84/549049784.db2.gz	NYUBPQBBRWOSBR-VQTJNVASSA-N	1	1	369.513	2.219	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1	ZINC000246187432	549072150	/nfs/dbraw/zinc/07/21/50/549072150.db2.gz	RXWLUPFGIWZQGB-NVXWUHKLSA-N	1	1	366.469	2.412	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1	ZINC000246194174	549073996	/nfs/dbraw/zinc/07/39/96/549073996.db2.gz	XFWKSRICRVGSSJ-CABCVRRESA-N	1	1	369.469	2.451	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1	ZINC000246194174	549074000	/nfs/dbraw/zinc/07/40/00/549074000.db2.gz	XFWKSRICRVGSSJ-CABCVRRESA-N	1	1	369.469	2.451	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1	ZINC000246194174	549074004	/nfs/dbraw/zinc/07/40/04/549074004.db2.gz	XFWKSRICRVGSSJ-CABCVRRESA-N	1	1	369.469	2.451	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@H](CCC#N)c2ccccc2)C[C@@H]1[NH+]1CCOCC1	ZINC000246468537	549140579	/nfs/dbraw/zinc/14/05/79/549140579.db2.gz	FVQJVDKPKLBWIW-QRQLOZEOSA-N	1	1	356.470	2.394	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(CCOC2)C1	ZINC000246745352	549202957	/nfs/dbraw/zinc/20/29/57/549202957.db2.gz	BDHXIWGAQHZQPS-OXQOHEQNSA-N	1	1	357.454	2.443	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN(C)C[C@H]2CCC[N@H+](C)C2)c(OC)c1	ZINC000246857356	549229619	/nfs/dbraw/zinc/22/96/19/549229619.db2.gz	KOKUIYJYAFEXDS-RBUKOAKNSA-N	1	1	362.514	2.437	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)CN(C)C[C@H]2CCC[N@@H+](C)C2)c(OC)c1	ZINC000246857356	549229622	/nfs/dbraw/zinc/22/96/22/549229622.db2.gz	KOKUIYJYAFEXDS-RBUKOAKNSA-N	1	1	362.514	2.437	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+](C)C[C@H]2CCCN(C)C2)c(OC)c1	ZINC000246857356	549229627	/nfs/dbraw/zinc/22/96/27/549229627.db2.gz	KOKUIYJYAFEXDS-RBUKOAKNSA-N	1	1	362.514	2.437	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H]2CCCN(C)C2)c(OC)c1	ZINC000246857356	549229633	/nfs/dbraw/zinc/22/96/33/549229633.db2.gz	KOKUIYJYAFEXDS-RBUKOAKNSA-N	1	1	362.514	2.437	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2CO)c1C#N	ZINC000248904790	549525103	/nfs/dbraw/zinc/52/51/03/549525103.db2.gz	HUULKQCNAWLDDT-FZKQIMNGSA-N	1	1	370.453	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1C#N	ZINC000248904790	549525106	/nfs/dbraw/zinc/52/51/06/549525106.db2.gz	HUULKQCNAWLDDT-FZKQIMNGSA-N	1	1	370.453	2.259	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000249144663	549560514	/nfs/dbraw/zinc/56/05/14/549560514.db2.gz	GELVSELWBOTGLW-NEPJUHHUSA-N	1	1	357.426	2.235	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000249144663	549560522	/nfs/dbraw/zinc/56/05/22/549560522.db2.gz	GELVSELWBOTGLW-NEPJUHHUSA-N	1	1	357.426	2.235	20	30		FEEDMO
C[NH+]=C(NCc1cn[nH]c1C)N(C)Cc1cc(Br)cn1C	ZINC000261821017	549758949	/nfs/dbraw/zinc/75/89/49/549758949.db2.gz	UNTXYANAAZDRQZ-UHFFFAOYSA-N	1	1	353.268	2.027	20	30		FEEDMO
C[NH+]=C(NCc1nc(C(F)(F)F)cs1)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000261955258	549773739	/nfs/dbraw/zinc/77/37/39/549773739.db2.gz	IOXVSBHKDVLEMJ-GXSJLCMTSA-N	1	1	361.437	2.310	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000263712141	549923741	/nfs/dbraw/zinc/92/37/41/549923741.db2.gz	KKRBDTQLSWXEQU-HZPDHXFCSA-N	1	1	356.470	2.369	20	30		FEEDMO
CC(C)C(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1	ZINC000263712141	549923742	/nfs/dbraw/zinc/92/37/42/549923742.db2.gz	KKRBDTQLSWXEQU-HZPDHXFCSA-N	1	1	356.470	2.369	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N	ZINC000264778894	550001559	/nfs/dbraw/zinc/00/15/59/550001559.db2.gz	TVBUTMQSELRNDR-CYBMUJFWSA-N	1	1	371.466	2.198	20	30		FEEDMO
N#CCCn1ccc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)n1	ZINC000266470742	550021033	/nfs/dbraw/zinc/02/10/33/550021033.db2.gz	VTFOONKBOLIICZ-UHFFFAOYSA-N	1	1	358.471	2.250	20	30		FEEDMO
COCCOC[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000266622399	550021896	/nfs/dbraw/zinc/02/18/96/550021896.db2.gz	LNXQVVOYTNERDN-MSOLQXFVSA-N	1	1	359.470	2.307	20	30		FEEDMO
COCCOC[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1	ZINC000266622400	550021995	/nfs/dbraw/zinc/02/19/95/550021995.db2.gz	LNXQVVOYTNERDN-QZTJIDSGSA-N	1	1	359.470	2.307	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)CN2CC[C@H](C[N@H+](C)CC)C2)c(OC)c1	ZINC000266642810	550022555	/nfs/dbraw/zinc/02/25/55/550022555.db2.gz	UZHGNWOWFILPEC-MOPGFXCFSA-N	1	1	362.514	2.437	20	30		FEEDMO
C[C@H](NC(=[NH2+])NC[C@H]1CN(C)CCN1C)c1ccc(Cl)cc1Cl	ZINC000267446775	550031901	/nfs/dbraw/zinc/03/19/01/550031901.db2.gz	QHDKJYRPZYUASP-AAEUAGOBSA-N	1	1	358.317	2.205	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000268235066	550037715	/nfs/dbraw/zinc/03/77/15/550037715.db2.gz	ZGCYQTURXJMCPL-CZUORRHYSA-N	1	1	372.494	2.230	20	30		FEEDMO
COC(=O)CCC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1	ZINC000269080626	550152220	/nfs/dbraw/zinc/15/22/20/550152220.db2.gz	FLKWLGWNPCACFG-HXUWFJFHSA-N	1	1	357.454	2.250	20	30		FEEDMO
COC(=O)CCC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)Cc1ccccc1	ZINC000269080626	550152222	/nfs/dbraw/zinc/15/22/22/550152222.db2.gz	FLKWLGWNPCACFG-HXUWFJFHSA-N	1	1	357.454	2.250	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)CC2)nc1	ZINC000269653550	550214205	/nfs/dbraw/zinc/21/42/05/550214205.db2.gz	ITLSKFBOPCTTJF-SFHVURJKSA-N	1	1	353.470	2.009	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCC3(C2)OCCO3)c(OC)c1	ZINC000270478799	550276002	/nfs/dbraw/zinc/27/60/02/550276002.db2.gz	FGNSVOHZBFMTNS-QGZVFWFLSA-N	1	1	363.454	2.002	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC3(C2)OCCO3)c(OC)c1	ZINC000270478799	550276004	/nfs/dbraw/zinc/27/60/04/550276004.db2.gz	FGNSVOHZBFMTNS-QGZVFWFLSA-N	1	1	363.454	2.002	20	30		FEEDMO
COc1ccc(C[N@@H+](CCC(=O)N(C)CCC#N)[C@H](CO)C(C)C)cc1	ZINC000272304008	550436437	/nfs/dbraw/zinc/43/64/37/550436437.db2.gz	QIELVWKDBLCOHT-LJQANCHMSA-N	1	1	361.486	2.276	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21	ZINC000272567942	550458104	/nfs/dbraw/zinc/45/81/04/550458104.db2.gz	VAHVYWVYYAPCCB-IAGOWNOFSA-N	1	1	357.454	2.278	20	30		FEEDMO
Cc1c(Cl)cnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1C#N	ZINC000273364507	550495894	/nfs/dbraw/zinc/49/58/94/550495894.db2.gz	RCJXJIGBHAIDTE-UHFFFAOYSA-N	1	1	361.877	2.050	20	30		FEEDMO
Cc1c(Cl)cnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1C#N	ZINC000273364507	550495896	/nfs/dbraw/zinc/49/58/96/550495896.db2.gz	RCJXJIGBHAIDTE-UHFFFAOYSA-N	1	1	361.877	2.050	20	30		FEEDMO
C=C(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1	ZINC000276361688	550578224	/nfs/dbraw/zinc/57/82/24/550578224.db2.gz	VYVSHLBKLMHEGX-UHFFFAOYSA-N	1	1	353.444	2.451	20	30		FEEDMO
C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@H]1NC(=O)OC(C)(C)C	ZINC000277940123	550731093	/nfs/dbraw/zinc/73/10/93/550731093.db2.gz	ZJIHXQSCGMQHAR-RHSMWYFYSA-N	1	1	372.469	2.019	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@H]1NC(=O)OC(C)(C)C	ZINC000277940123	550731095	/nfs/dbraw/zinc/73/10/95/550731095.db2.gz	ZJIHXQSCGMQHAR-RHSMWYFYSA-N	1	1	372.469	2.019	20	30		FEEDMO
N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)C1	ZINC000278538005	550796775	/nfs/dbraw/zinc/79/67/75/550796775.db2.gz	FYZGTQGDSBCZRF-FVQBIDKESA-N	1	1	351.447	2.261	20	30		FEEDMO
N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)C1	ZINC000278538005	550796777	/nfs/dbraw/zinc/79/67/77/550796777.db2.gz	FYZGTQGDSBCZRF-FVQBIDKESA-N	1	1	351.447	2.261	20	30		FEEDMO
N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)C1	ZINC000278538006	550796892	/nfs/dbraw/zinc/79/68/92/550796892.db2.gz	FYZGTQGDSBCZRF-KBMXLJTQSA-N	1	1	351.447	2.261	20	30		FEEDMO
N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)C1	ZINC000278538006	550796893	/nfs/dbraw/zinc/79/68/93/550796893.db2.gz	FYZGTQGDSBCZRF-KBMXLJTQSA-N	1	1	351.447	2.261	20	30		FEEDMO
C#CCn1ccc(CN(CC)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1	ZINC000279200014	550864269	/nfs/dbraw/zinc/86/42/69/550864269.db2.gz	JAVBXYPWWDKQMW-HDICACEKSA-N	1	1	359.518	2.416	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c(-c2ccncc2)n1	ZINC000279356252	550881106	/nfs/dbraw/zinc/88/11/06/550881106.db2.gz	GSGXFMXYEJHOJE-QGZVFWFLSA-N	1	1	367.453	2.444	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CC)CCCCN2C(=O)c3ccccc3C2=O)n1	ZINC000279662603	550913910	/nfs/dbraw/zinc/91/39/10/550913910.db2.gz	DBMWJAZHOMTBNQ-UHFFFAOYSA-N	1	1	364.449	2.415	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1	ZINC000495450738	561488162	/nfs/dbraw/zinc/48/81/62/561488162.db2.gz	VIJFWVJAVVRSBW-UHFFFAOYSA-N	1	1	351.366	2.248	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1	ZINC000280599182	551011717	/nfs/dbraw/zinc/01/17/17/551011717.db2.gz	XNUYAUSAGZRHGU-KDURUIRLSA-N	1	1	367.474	2.311	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)oc3C)C2)cc(OC)c1	ZINC000280606207	551012678	/nfs/dbraw/zinc/01/26/78/551012678.db2.gz	JTVWMXWLURCBFC-OAHLLOKOSA-N	1	1	369.421	2.481	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)c3cc(C#N)oc3C)C2)cc(OC)c1	ZINC000280606207	551012679	/nfs/dbraw/zinc/01/26/79/551012679.db2.gz	JTVWMXWLURCBFC-OAHLLOKOSA-N	1	1	369.421	2.481	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1	ZINC000280719389	551024942	/nfs/dbraw/zinc/02/49/42/551024942.db2.gz	IQLLOXDHKTYLNW-UHFFFAOYSA-N	1	1	359.348	2.187	20	30		FEEDMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000281027820	551055991	/nfs/dbraw/zinc/05/59/91/551055991.db2.gz	ZXXXNMDNTZHNFM-OAHLLOKOSA-N	1	1	374.510	2.380	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1C	ZINC000281879443	551152295	/nfs/dbraw/zinc/15/22/95/551152295.db2.gz	TUKIRUSWJVCPGB-NVXWUHKLSA-N	1	1	355.442	2.356	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCC(=O)Nc2ccccc2C#N)O1	ZINC000282348788	551215032	/nfs/dbraw/zinc/21/50/32/551215032.db2.gz	CLQRKYMBYDMHLX-NBMRYCAZSA-N	1	1	371.437	2.070	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000282985313	551293606	/nfs/dbraw/zinc/29/36/06/551293606.db2.gz	MJQWZJUPWZSBSP-SJORKVTESA-N	1	1	364.515	2.062	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1	ZINC000283534108	551383047	/nfs/dbraw/zinc/38/30/47/551383047.db2.gz	DKSOICIYUBEUAK-CRAIPNDOSA-N	1	1	356.470	2.068	20	30		FEEDMO
C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1	ZINC000284776075	551630487	/nfs/dbraw/zinc/63/04/87/551630487.db2.gz	HPSXXHBAZQTCTM-GJZGRUSLSA-N	1	1	362.499	2.469	20	30		FEEDMO
CCN1CC[NH+](CCCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1	ZINC000284965979	551678716	/nfs/dbraw/zinc/67/87/16/551678716.db2.gz	AXCSRYNHLOVCSB-UHFFFAOYSA-N	1	1	360.477	2.119	20	30		FEEDMO
C[C@@H]1COCC[C@@H]1CN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+]	ZINC000284978992	551682503	/nfs/dbraw/zinc/68/25/03/551682503.db2.gz	FTNHKQJZSTUZQM-ZIAGYGMSSA-N	1	1	354.454	2.319	20	30		FEEDMO
Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N(CC#N)C2CC2)cn1	ZINC000285270208	551729522	/nfs/dbraw/zinc/72/95/22/551729522.db2.gz	SPEZIHWWGMZHHJ-UXHICEINSA-N	1	1	363.465	2.150	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1	ZINC000285276347	551730781	/nfs/dbraw/zinc/73/07/81/551730781.db2.gz	ZQMHJAFSGWLNOC-MRXNPFEDSA-N	1	1	370.497	2.143	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000285365040	551744524	/nfs/dbraw/zinc/74/45/24/551744524.db2.gz	QNPNEFNCCXQJLQ-HXUWFJFHSA-N	1	1	352.438	2.340	20	30		FEEDMO
Cn1cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000285365040	551744525	/nfs/dbraw/zinc/74/45/25/551744525.db2.gz	QNPNEFNCCXQJLQ-HXUWFJFHSA-N	1	1	352.438	2.340	20	30		FEEDMO
C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NCc3ccc(C#N)o3)c2)CC1	ZINC000285385595	551747606	/nfs/dbraw/zinc/74/76/06/551747606.db2.gz	BPVIHRFXIDTHBA-UHFFFAOYSA-N	1	1	374.466	2.090	20	30		FEEDMO
C[N@H+]1CCCN(S(=O)(=O)c2cccc(NCc3ccc(C#N)o3)c2)CC1	ZINC000285385595	551747609	/nfs/dbraw/zinc/74/76/09/551747609.db2.gz	BPVIHRFXIDTHBA-UHFFFAOYSA-N	1	1	374.466	2.090	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C2(CO)CC2)c1C#N	ZINC000285531632	551770795	/nfs/dbraw/zinc/77/07/95/551770795.db2.gz	PDLNWSOOVXFJDS-UHFFFAOYSA-N	1	1	366.465	2.420	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)C2(CO)CC2)c1C#N	ZINC000285531632	551770797	/nfs/dbraw/zinc/77/07/97/551770797.db2.gz	PDLNWSOOVXFJDS-UHFFFAOYSA-N	1	1	366.465	2.420	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1	ZINC000285530457	551770802	/nfs/dbraw/zinc/77/08/02/551770802.db2.gz	PTKJSWNAZUUPHG-UHFFFAOYSA-N	1	1	358.417	2.303	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21	ZINC000286245799	551865224	/nfs/dbraw/zinc/86/52/24/551865224.db2.gz	ZTXUGQLFPYXOGB-LMCOJAPRSA-N	1	1	355.482	2.499	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000286984925	551948407	/nfs/dbraw/zinc/94/84/07/551948407.db2.gz	CFUWDJVAAVYPSO-AWEZNQCLSA-N	1	1	366.487	2.226	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1	ZINC000288504910	552165234	/nfs/dbraw/zinc/16/52/34/552165234.db2.gz	ROTOERAEYCWOMR-UHFFFAOYSA-N	1	1	361.486	2.240	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)Cc2cc3c(c(Br)c2)OCO3)C1=O	ZINC000500015558	561564214	/nfs/dbraw/zinc/56/42/14/561564214.db2.gz	DSADALXTKASRCW-CYBMUJFWSA-N	1	1	367.243	2.397	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)C1=O	ZINC000500015558	561564215	/nfs/dbraw/zinc/56/42/15/561564215.db2.gz	DSADALXTKASRCW-CYBMUJFWSA-N	1	1	367.243	2.397	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1	ZINC000289201729	552282004	/nfs/dbraw/zinc/28/20/04/552282004.db2.gz	BLUNMMNOESJRSO-OXJNMPFZSA-N	1	1	355.438	2.041	20	30		FEEDMO
Cc1nsc(N2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)c1C#N	ZINC000289438183	552321815	/nfs/dbraw/zinc/32/18/15/552321815.db2.gz	JVFBLDUIEGUXTI-UHFFFAOYSA-N	1	1	369.494	2.498	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292047939	552688044	/nfs/dbraw/zinc/68/80/44/552688044.db2.gz	BBAANBFNGPZCHW-KSSFIOAISA-N	1	1	368.412	2.250	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000292047939	552688046	/nfs/dbraw/zinc/68/80/46/552688046.db2.gz	BBAANBFNGPZCHW-KSSFIOAISA-N	1	1	368.412	2.250	20	30		FEEDMO
C[N@H+]1CC[C@@]2(CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2)C1	ZINC000292074542	552690909	/nfs/dbraw/zinc/69/09/09/552690909.db2.gz	BVTAHGCYQLOHLT-OAQYLSRUSA-N	1	1	370.472	2.468	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292137765	552697409	/nfs/dbraw/zinc/69/74/09/552697409.db2.gz	JGPMUGZYVVZZLY-MAUKXSAKSA-N	1	1	350.422	2.111	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292137765	552697410	/nfs/dbraw/zinc/69/74/10/552697410.db2.gz	JGPMUGZYVVZZLY-MAUKXSAKSA-N	1	1	350.422	2.111	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)nc1	ZINC000292212494	552705248	/nfs/dbraw/zinc/70/52/48/552705248.db2.gz	OLZRAKQGEXOOMM-QGZVFWFLSA-N	1	1	361.405	2.307	20	30		FEEDMO
C=CCC[C@@H](O)C[N@H+](CC)C[C@H](O)COc1ccc(CCOC)cc1	ZINC000292914830	552770663	/nfs/dbraw/zinc/77/06/63/552770663.db2.gz	HTWOMLAVGRYYBL-MOPGFXCFSA-N	1	1	351.487	2.264	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCC[C@H]3C(N)=O)sc2C1	ZINC000293163118	552794859	/nfs/dbraw/zinc/79/48/59/552794859.db2.gz	CKCXGLGEACJMIB-WFASDCNBSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCCC[C@H]3C(N)=O)sc2C1	ZINC000293163118	552794860	/nfs/dbraw/zinc/79/48/60/552794860.db2.gz	CKCXGLGEACJMIB-WFASDCNBSA-N	1	1	374.510	2.413	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000293326902	552811727	/nfs/dbraw/zinc/81/17/27/552811727.db2.gz	MJTNFEXYXQWRIF-MRXNPFEDSA-N	1	1	372.494	2.215	20	30		FEEDMO
Cn1cc(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000293326902	552811728	/nfs/dbraw/zinc/81/17/28/552811728.db2.gz	MJTNFEXYXQWRIF-MRXNPFEDSA-N	1	1	372.494	2.215	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000293326894	552811837	/nfs/dbraw/zinc/81/18/37/552811837.db2.gz	MJTNFEXYXQWRIF-INIZCTEOSA-N	1	1	372.494	2.215	20	30		FEEDMO
Cn1cc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000293326894	552811839	/nfs/dbraw/zinc/81/18/39/552811839.db2.gz	MJTNFEXYXQWRIF-INIZCTEOSA-N	1	1	372.494	2.215	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)nc1	ZINC000293734906	552851397	/nfs/dbraw/zinc/85/13/97/552851397.db2.gz	NPWGZCONMBZPKE-ROUUACIJSA-N	1	1	354.454	2.340	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccccc1SCC(=O)N1CCCC1	ZINC000293896862	552866019	/nfs/dbraw/zinc/86/60/19/552866019.db2.gz	DWLFWHZFWJVEQM-UHFFFAOYSA-N	1	1	373.522	2.086	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000501728331	561604157	/nfs/dbraw/zinc/60/41/57/561604157.db2.gz	GHAJAFVZUONMTH-MJGOQNOKSA-N	1	1	355.482	2.214	20	30		FEEDMO
C=CCOc1ccc(CC(=O)NCCCCN2CC[NH+](CC)CC2)cc1	ZINC000294883577	552941369	/nfs/dbraw/zinc/94/13/69/552941369.db2.gz	DWAYQIMIORVYAH-UHFFFAOYSA-N	1	1	359.514	2.328	20	30		FEEDMO
COc1c(C)c[nH+]c(CN(C)CCS(=O)(=O)c2ccc(C#N)cc2)c1C	ZINC000295082400	552956993	/nfs/dbraw/zinc/95/69/93/552956993.db2.gz	DMINUSCQLITXOU-UHFFFAOYSA-N	1	1	373.478	2.484	20	30		FEEDMO
C#CCCOc1ccc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1	ZINC000295139956	552962714	/nfs/dbraw/zinc/96/27/14/552962714.db2.gz	CAQAPNILEUVNBC-KRWDZBQOSA-N	1	1	356.466	2.414	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2	ZINC000295148943	552963507	/nfs/dbraw/zinc/96/35/07/552963507.db2.gz	NGCOXGNCUOJKGX-SFHVURJKSA-N	1	1	360.502	2.041	20	30		FEEDMO
Cc1[nH+]ccn1CCCN(C)S(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000295202106	552969401	/nfs/dbraw/zinc/96/94/01/552969401.db2.gz	SQTDZKMOUYAPIZ-UHFFFAOYSA-N	1	1	350.419	2.054	20	30		FEEDMO
C#CCO[C@@H](C)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000295413735	553002386	/nfs/dbraw/zinc/00/23/86/553002386.db2.gz	DIKJFUVYADKMJB-FUHWJXTLSA-N	1	1	352.438	2.307	20	30		FEEDMO
C#CCO[C@H](C)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000295413732	553002475	/nfs/dbraw/zinc/00/24/75/553002475.db2.gz	DIKJFUVYADKMJB-AEFFLSMTSA-N	1	1	352.438	2.307	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[C@@H](CC#N)C3)cc2)CC1	ZINC000296374628	553149853	/nfs/dbraw/zinc/14/98/53/553149853.db2.gz	PJPYOEZAYBXGGM-PXNSSMCTSA-N	1	1	369.513	2.316	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N)[N@@H+](C)C1CC1	ZINC000296438820	553159951	/nfs/dbraw/zinc/15/99/51/553159951.db2.gz	FDDUQSMEUYQXMK-NSHDSACASA-N	1	1	362.499	2.455	20	30		FEEDMO
CC(C)[C@@H](CNc1ncc(Br)cc1C#N)N1CC[NH+](C)CC1	ZINC000296649853	553193301	/nfs/dbraw/zinc/19/33/01/553193301.db2.gz	XHUUPBGUQSSKKY-OAHLLOKOSA-N	1	1	366.307	2.400	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000297635673	553318468	/nfs/dbraw/zinc/31/84/68/553318468.db2.gz	IHKBMDKOXXELNY-ZHALLVOQSA-N	1	1	370.497	2.116	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CCOCCO	ZINC000503237398	561637663	/nfs/dbraw/zinc/63/76/63/561637663.db2.gz	GKKKSWNCCFPOTL-CYBMUJFWSA-N	1	1	365.499	2.156	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)CCOCCO	ZINC000503237398	561637664	/nfs/dbraw/zinc/63/76/64/561637664.db2.gz	GKKKSWNCCFPOTL-CYBMUJFWSA-N	1	1	365.499	2.156	20	30		FEEDMO
N#CCOc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1	ZINC000298192937	553396617	/nfs/dbraw/zinc/39/66/17/553396617.db2.gz	XCZAQLKSKUEYDC-UHFFFAOYSA-N	1	1	353.382	2.214	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C[C@H](O)c1cccc(Br)c1	ZINC000298542544	553437971	/nfs/dbraw/zinc/43/79/71/553437971.db2.gz	XPOPJOTYWMDADP-DOMZBBRYSA-N	1	1	368.275	2.175	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@H](O)c1cccc(Br)c1	ZINC000298542544	553437972	/nfs/dbraw/zinc/43/79/72/553437972.db2.gz	XPOPJOTYWMDADP-DOMZBBRYSA-N	1	1	368.275	2.175	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1	ZINC000503607106	561645483	/nfs/dbraw/zinc/64/54/83/561645483.db2.gz	HBOXBESIXPUDCA-FQEVSTJZSA-N	1	1	372.469	2.300	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCC(C(=O)OC)CC1)[C@H](C)c1ccc(C#N)cc1	ZINC000299092847	553514340	/nfs/dbraw/zinc/51/43/40/553514340.db2.gz	UHDBBBUHWGWIAI-OAHLLOKOSA-N	1	1	357.454	2.353	20	30		FEEDMO
CCC(CC)[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)[NH+]1CCOCC1	ZINC000503983611	561651263	/nfs/dbraw/zinc/65/12/63/561651263.db2.gz	CBTYNQDQWXKHRF-QGZVFWFLSA-N	1	1	350.507	2.459	20	30		FEEDMO
N#CCc1cccc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000299596524	553586283	/nfs/dbraw/zinc/58/62/83/553586283.db2.gz	URIAIRCALWAXCU-UHFFFAOYSA-N	1	1	363.465	2.090	20	30		FEEDMO
CCC[N@@H+](CC)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000504434816	561658260	/nfs/dbraw/zinc/65/82/60/561658260.db2.gz	OVBXAIUTHAAYQA-SFHVURJKSA-N	1	1	371.485	2.085	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1	ZINC000504994358	561665150	/nfs/dbraw/zinc/66/51/50/561665150.db2.gz	ODNPGWCGNUPZEL-OAHLLOKOSA-N	1	1	372.469	2.357	20	30		FEEDMO
N#Cc1cc(N2CCC[C@@H]2C[NH+]2CCOCC2)nc2ccc([N+](=O)[O-])cc12	ZINC000302626300	553723727	/nfs/dbraw/zinc/72/37/27/553723727.db2.gz	FOGJUBZVEGWGBA-MRXNPFEDSA-N	1	1	367.409	2.316	20	30		FEEDMO
C[C@H](CNC(=O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21)[N@H+]1CCC[C@@H](C)C1	ZINC000328598650	553794603	/nfs/dbraw/zinc/79/46/03/553794603.db2.gz	BIICSRDGTQXOKI-QBPKDAKJSA-N	1	1	371.547	2.062	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)N[C@H]2CCCC23CCOCC3)CC1	ZINC000328689499	553807848	/nfs/dbraw/zinc/80/78/48/553807848.db2.gz	BIRMHCBDCOVBBX-MSOLQXFVSA-N	1	1	366.550	2.113	20	30		FEEDMO
CC(C)Cn1ncc2cc(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)cnc21	ZINC000328729583	553813557	/nfs/dbraw/zinc/81/35/57/553813557.db2.gz	WDDWXCPJZANIEZ-UHFFFAOYSA-N	1	1	372.517	2.418	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)NCc1cc2c(c(Br)c1)OCO2	ZINC000328746851	553815768	/nfs/dbraw/zinc/81/57/68/553815768.db2.gz	OWZJOADGANYBRL-NSHDSACASA-N	1	1	370.247	2.276	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCc4n[nH]nc4C3)CC2)oc1C	ZINC000328763570	553818648	/nfs/dbraw/zinc/81/86/48/553818648.db2.gz	FVFFDTKTTWCSME-HNNXBMFYSA-N	1	1	372.473	2.383	20	30		FEEDMO
O=C(CCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)NC1CCCC1	ZINC000328777573	553820777	/nfs/dbraw/zinc/82/07/77/553820777.db2.gz	LLLLLEPDERUOCO-QGZVFWFLSA-N	1	1	351.491	2.379	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1[C@@H](C)OCC(=O)N1Cc1ccccc1	ZINC000328934120	553847924	/nfs/dbraw/zinc/84/79/24/553847924.db2.gz	FCBAWWPTHKZLCQ-AYBZRNKSSA-N	1	1	359.470	2.243	20	30		FEEDMO
C[N@H+]1CC[C@@H]2OCCN(CC(=O)NCCc3cccc4cccnc43)[C@@H]2C1	ZINC000329020460	553865735	/nfs/dbraw/zinc/86/57/35/553865735.db2.gz	LUJDCKPATNHLDL-MOPGFXCFSA-N	1	1	368.481	2.139	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)N[C@H]1CCSC1	ZINC000329060935	553873312	/nfs/dbraw/zinc/87/33/12/553873312.db2.gz	NLVSDTNLYSPKKJ-OFQRWUPVSA-N	1	1	351.520	2.154	20	30		FEEDMO
COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3COCCN3C)CC[N@H+]2C2CC2)c1	ZINC000329068877	553874637	/nfs/dbraw/zinc/87/46/37/553874637.db2.gz	XUGBAMSEONCWIH-GUDVDZBRSA-N	1	1	359.470	2.260	20	30		FEEDMO
COCCn1nc(C)c([NH+]=C([O-])N2CCC[C@H]2Cn2cc[nH+]c2C)c1C	ZINC000329153335	553890131	/nfs/dbraw/zinc/89/01/31/553890131.db2.gz	UEASLXKIXXGWRI-INIZCTEOSA-N	1	1	360.462	2.361	20	30		FEEDMO
CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1	ZINC000329151106	553890195	/nfs/dbraw/zinc/89/01/95/553890195.db2.gz	ZXPYIXXLIQTHCZ-YVSFHVDLSA-N	1	1	363.506	2.357	20	30		FEEDMO
C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)C1	ZINC000329259254	553912770	/nfs/dbraw/zinc/91/27/70/553912770.db2.gz	CONMCCHJNXXEBL-BDXSIMOUSA-N	1	1	365.518	2.481	20	30		FEEDMO
Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1F	ZINC000329272238	553914731	/nfs/dbraw/zinc/91/47/31/553914731.db2.gz	ADHJVLXGUYBHHI-MRXNPFEDSA-N	1	1	374.460	2.043	20	30		FEEDMO
N#Cc1ccc(-n2ccc(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)n2)c(Cl)c1	ZINC000329352181	553929759	/nfs/dbraw/zinc/92/97/59/553929759.db2.gz	XNRCYYCEUZBFIQ-AWEZNQCLSA-N	1	1	370.844	2.709	20	30		FEEDMO
Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cnc1N1CCCC[C@@H]1C	ZINC000329355196	553930923	/nfs/dbraw/zinc/93/09/23/553930923.db2.gz	VPSPHUDCTDKMCQ-FUHWJXTLSA-N	1	1	374.533	2.341	20	30		FEEDMO
COCCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cn1	ZINC000329361979	553932765	/nfs/dbraw/zinc/93/27/65/553932765.db2.gz	ISQLAJSQKXMDGU-BSDSXHPESA-N	1	1	362.474	2.190	20	30		FEEDMO
CN1CC[C@@H]([N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1=O	ZINC000329403340	553940002	/nfs/dbraw/zinc/94/00/02/553940002.db2.gz	YSLNLESYEMFDGL-DOTOQJQBSA-N	1	1	367.453	2.456	20	30		FEEDMO
CN1CC[C@@H]([N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1=O	ZINC000329403340	553940004	/nfs/dbraw/zinc/94/00/04/553940004.db2.gz	YSLNLESYEMFDGL-DOTOQJQBSA-N	1	1	367.453	2.456	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N1CCC[C@H]1C1CCOCC1)[NH+]1CCOCC1	ZINC000329434728	553946301	/nfs/dbraw/zinc/94/63/01/553946301.db2.gz	IXPAYDRIYJCNDE-ROUUACIJSA-N	1	1	353.507	2.148	20	30		FEEDMO
C[C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1	ZINC000329437185	553947052	/nfs/dbraw/zinc/94/70/52/553947052.db2.gz	JKMITDYMYXZBIY-IXDOHACOSA-N	1	1	351.491	2.235	20	30		FEEDMO
COCCOc1cccc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c1	ZINC000506689428	561705903	/nfs/dbraw/zinc/70/59/03/561705903.db2.gz	LATOYTWWTFNSIJ-UHFFFAOYSA-N	1	1	352.438	2.301	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(=O)n(-c2cnn(C)c2)c1	ZINC000329509252	553959327	/nfs/dbraw/zinc/95/93/27/553959327.db2.gz	JPMYELVPAIIOPS-XHSDSOJGSA-N	1	1	371.485	2.242	20	30		FEEDMO
Cn1cc(C2CC[NH+](CC(=O)NC[C@H]3COc4ccccc4O3)CC2)cn1	ZINC000329508308	553959530	/nfs/dbraw/zinc/95/95/30/553959530.db2.gz	MACPWFNWNWFEIK-KRWDZBQOSA-N	1	1	370.453	2.396	20	30		FEEDMO
C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)N1CCCC1	ZINC000329612973	553976599	/nfs/dbraw/zinc/97/65/99/553976599.db2.gz	OQZNIJATQNVTBO-DOTOQJQBSA-N	1	1	350.507	2.298	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCSC[C@@H]2CO)sc2c1CCC2	ZINC000329621797	553978374	/nfs/dbraw/zinc/97/83/74/553978374.db2.gz	FQNRYUAXSLTMAF-NSHDSACASA-N	1	1	351.497	2.496	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)Nc2ncn(C(C)(C)C)n2)C[N@H+]1Cc1ccccc1	ZINC000329720540	553995006	/nfs/dbraw/zinc/99/50/06/553995006.db2.gz	BRKUBUZEQOODPD-GDBMZVCRSA-N	1	1	356.474	3.022	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2c3ccccc3O[C@@H]2C)C[C@@H]1[NH+]1CCOCC1	ZINC000329753636	554000327	/nfs/dbraw/zinc/00/03/27/554000327.db2.gz	WVQZXLBEBYHKLJ-RRIFGTCXSA-N	1	1	359.470	2.465	20	30		FEEDMO
C[C@H](CNC(=O)Nc1ncn(C(C)(C)C)n1)[N@H+]1CCc2ccccc2C1	ZINC000329764918	554001763	/nfs/dbraw/zinc/00/17/63/554001763.db2.gz	WJAUJZIDNRUEJS-CQSZACIVSA-N	1	1	356.474	2.806	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CCN(c3nc4ccccc4o3)CC2)CC[N@H+]1C	ZINC000329794527	554007353	/nfs/dbraw/zinc/00/73/53/554007353.db2.gz	CCCMAFXMPSXEHJ-HUUCEWRRSA-N	1	1	357.458	2.347	20	30		FEEDMO
CC1(C)NC(=O)N(c2cccc(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)c2)C1=O	ZINC000329822851	554012836	/nfs/dbraw/zinc/01/28/36/554012836.db2.gz	QDONAPRVQZPKOH-OAHLLOKOSA-N	1	1	371.441	2.051	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccccc1	ZINC000329890159	554025205	/nfs/dbraw/zinc/02/52/05/554025205.db2.gz	FUCUMLBGTSEHBM-SKSLQVBQSA-N	1	1	357.454	2.024	20	30		FEEDMO
C[C@H](CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1)[N@H+]1CCC[C@@H](C)C1	ZINC000329912131	554029678	/nfs/dbraw/zinc/02/96/78/554029678.db2.gz	BAIWPEBADDZNGW-MDZRGWNJSA-N	1	1	353.507	2.291	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)CC[S@@](=O)c2ccc3c(c2)OCCO3)CC[N@H+]1C	ZINC000329918656	554031483	/nfs/dbraw/zinc/03/14/83/554031483.db2.gz	ZWZZALJPDTYFCT-FPIQFJIESA-N	1	1	366.483	2.395	20	30		FEEDMO
CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H](C)C1	ZINC000507380558	561727117	/nfs/dbraw/zinc/72/71/17/561727117.db2.gz	LBMAXUOKNLYSQJ-CABCVRRESA-N	1	1	374.510	2.429	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H](C)C1	ZINC000507380558	561727119	/nfs/dbraw/zinc/72/71/19/561727119.db2.gz	LBMAXUOKNLYSQJ-CABCVRRESA-N	1	1	374.510	2.429	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)C[C@@H]1C	ZINC000330048903	554055189	/nfs/dbraw/zinc/05/51/89/554055189.db2.gz	KJJFKSNBBGMDSU-ULQDDVLXSA-N	1	1	353.507	2.169	20	30		FEEDMO
C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@]2(CCCOC2)O1	ZINC000330104094	554065141	/nfs/dbraw/zinc/06/51/41/554065141.db2.gz	HIVNXQUXIAZSEA-YNWASFESSA-N	1	1	351.491	2.186	20	30		FEEDMO
CC[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1	ZINC000330167151	554077377	/nfs/dbraw/zinc/07/73/77/554077377.db2.gz	YRIWABHMQURJPK-SVFBPWRDSA-N	1	1	369.465	2.324	20	30		FEEDMO
CC[C@@H]1C[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1	ZINC000330167151	554077378	/nfs/dbraw/zinc/07/73/78/554077378.db2.gz	YRIWABHMQURJPK-SVFBPWRDSA-N	1	1	369.465	2.324	20	30		FEEDMO
CC(=O)N1CC[C@H](NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1	ZINC000330201198	554083802	/nfs/dbraw/zinc/08/38/02/554083802.db2.gz	XKCNLUSUKGBNTG-AZUAARDMSA-N	1	1	358.486	2.166	20	30		FEEDMO
CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1(C)C	ZINC000330215417	554087062	/nfs/dbraw/zinc/08/70/62/554087062.db2.gz	HABVRYOSJXCWKN-HDEZJCGLSA-N	1	1	353.507	2.145	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)NC1CCN(c2nccn(CC)c2=O)CC1	ZINC000330223998	554088170	/nfs/dbraw/zinc/08/81/70/554088170.db2.gz	SNHVKOLMUKSIQF-MRXNPFEDSA-N	1	1	361.490	2.063	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCOC4(CCOCC4)C3)CC[C@H]21	ZINC000330238187	554091112	/nfs/dbraw/zinc/09/11/12/554091112.db2.gz	VCQOEKUFZKXAJK-BRWVUGGUSA-N	1	1	351.491	2.045	20	30		FEEDMO
C[C@H](CNC(=O)N[C@@H]1CCOC2(CCOCC2)C1)[N@H+]1CCC[C@@H](C)C1	ZINC000330242643	554091413	/nfs/dbraw/zinc/09/14/13/554091413.db2.gz	GFVGSPGISKZPAB-BRWVUGGUSA-N	1	1	353.507	2.339	20	30		FEEDMO
C[C@H](CNC(=O)N[C@H]1CCOC2(CCOCC2)C1)[N@H+]1CCC[C@@H](C)C1	ZINC000330242644	554091566	/nfs/dbraw/zinc/09/15/66/554091566.db2.gz	GFVGSPGISKZPAB-ZACQAIPSSA-N	1	1	353.507	2.339	20	30		FEEDMO
O=C(N[C@@H]1CCOC2(CCOCC2)C1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000330248985	554092884	/nfs/dbraw/zinc/09/28/84/554092884.db2.gz	ZOFRQVOACRTNJY-LJQANCHMSA-N	1	1	373.497	2.446	20	30		FEEDMO
CNC(=O)C1CCC(NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1	ZINC000330270138	554096347	/nfs/dbraw/zinc/09/63/47/554096347.db2.gz	SXOIQZGSZQQERD-QQFBHYJXSA-N	1	1	366.506	2.231	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1	ZINC000330385920	554114317	/nfs/dbraw/zinc/11/43/17/554114317.db2.gz	LSLXXITWTRUDBM-KZNAEPCWSA-N	1	1	370.563	2.299	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1	ZINC000330413742	554118327	/nfs/dbraw/zinc/11/83/27/554118327.db2.gz	MPAHSQMBIIWDKO-DLBZAZTESA-N	1	1	370.563	2.442	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1	ZINC000330427863	554120374	/nfs/dbraw/zinc/12/03/74/554120374.db2.gz	UDMYARSDLWCAEF-JFIYKMOQSA-N	1	1	364.515	2.108	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@H](CNC(N)=O)C2)C1	ZINC000330460012	554124588	/nfs/dbraw/zinc/12/45/88/554124588.db2.gz	JPVWCWVSAJXGLC-OWCLPIDISA-N	1	1	353.511	2.063	20	30		FEEDMO
CCC(=O)Nc1ccc(C)c(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1	ZINC000330518144	554132713	/nfs/dbraw/zinc/13/27/13/554132713.db2.gz	GRZOLHMIJTWUPF-LSDHHAIUSA-N	1	1	362.474	2.276	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1	ZINC000330550279	554136894	/nfs/dbraw/zinc/13/68/94/554136894.db2.gz	WXHFZCMTODBMKM-OLZOCXBDSA-N	1	1	371.407	2.379	20	30		FEEDMO
COc1cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1OC(C)C	ZINC000330580428	554140843	/nfs/dbraw/zinc/14/08/43/554140843.db2.gz	TYBBGODZWAGODW-LSDHHAIUSA-N	1	1	365.474	2.415	20	30		FEEDMO
CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC([N@@H+](C)CCO)CC2)c1	ZINC000330859622	554179843	/nfs/dbraw/zinc/17/98/43/554179843.db2.gz	KFTPZGZMDLBFIN-UHFFFAOYSA-N	1	1	368.865	2.232	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O	ZINC000330986592	554197397	/nfs/dbraw/zinc/19/73/97/554197397.db2.gz	RAWWBYWYOQILEV-SMDDNHRTSA-N	1	1	354.382	2.056	20	30		FEEDMO
C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1	ZINC000508490217	561763501	/nfs/dbraw/zinc/76/35/01/561763501.db2.gz	PXVMGNNEZVXFHX-MRXNPFEDSA-N	1	1	357.433	2.099	20	30		FEEDMO
C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1	ZINC000508490217	561763503	/nfs/dbraw/zinc/76/35/03/561763503.db2.gz	PXVMGNNEZVXFHX-MRXNPFEDSA-N	1	1	357.433	2.099	20	30		FEEDMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ncc(C(C)(C)C)s2)CC1	ZINC000331258231	554237567	/nfs/dbraw/zinc/23/75/67/554237567.db2.gz	ZCCYQRJCKYAPGR-UHFFFAOYSA-N	1	1	367.519	2.319	20	30		FEEDMO
CNC(=O)c1cccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1C	ZINC000331291844	554242145	/nfs/dbraw/zinc/24/21/45/554242145.db2.gz	KZOWNJPNCMTMIL-CYBMUJFWSA-N	1	1	362.474	2.252	20	30		FEEDMO
C=CCn1c(CCCC)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1	ZINC000508863833	561775714	/nfs/dbraw/zinc/77/57/14/561775714.db2.gz	JUPANPCNLBRDKS-UHFFFAOYSA-N	1	1	371.533	2.479	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000331430490	554263366	/nfs/dbraw/zinc/26/33/66/554263366.db2.gz	CDEOQBYCEJZEMU-ZUZCIYMTSA-N	1	1	373.400	2.338	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1	ZINC000331614002	554295288	/nfs/dbraw/zinc/29/52/88/554295288.db2.gz	KKDLTLQVHFYTLB-AYOQOUSVSA-N	1	1	356.470	2.370	20	30		FEEDMO
C=CCSCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000509187372	561788876	/nfs/dbraw/zinc/78/88/76/561788876.db2.gz	UUBRRLDMLCXODY-ZWKOTPCHSA-N	1	1	363.527	2.088	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000332045235	554368902	/nfs/dbraw/zinc/36/89/02/554368902.db2.gz	VOPOAMNASZCGHG-QUCCMNQESA-N	1	1	354.498	2.487	20	30		FEEDMO
C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1	ZINC000332339583	554428158	/nfs/dbraw/zinc/42/81/58/554428158.db2.gz	DRTHUUDZRHBDPM-GJZGRUSLSA-N	1	1	358.461	2.465	20	30		FEEDMO
C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000332465000	554450887	/nfs/dbraw/zinc/45/08/87/554450887.db2.gz	QEOHZVJJHUPKTO-OCCSQVGLSA-N	1	1	360.845	2.235	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000332465000	554450889	/nfs/dbraw/zinc/45/08/89/554450889.db2.gz	QEOHZVJJHUPKTO-OCCSQVGLSA-N	1	1	360.845	2.235	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cc(C#N)ccc3Cl)CC[C@H]21	ZINC000332521474	554461806	/nfs/dbraw/zinc/46/18/06/554461806.db2.gz	ZHIQCFYRVCGSCF-XJKSGUPXSA-N	1	1	360.845	2.093	20	30		FEEDMO
CCOC(=O)C(C)(C)C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1	ZINC000510127134	561826076	/nfs/dbraw/zinc/82/60/76/561826076.db2.gz	JWQUANLMPDFWSA-KRWDZBQOSA-N	1	1	357.454	2.386	20	30		FEEDMO
Cc1ccccc1[C@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000332669023	554493908	/nfs/dbraw/zinc/49/39/08/554493908.db2.gz	MPTHQFGRRFPGDP-PZJWPPBQSA-N	1	1	368.525	2.477	20	30		FEEDMO
Cc1ccccc1[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1	ZINC000332669027	554493978	/nfs/dbraw/zinc/49/39/78/554493978.db2.gz	MPTHQFGRRFPGDP-TZIWHRDSSA-N	1	1	368.525	2.477	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC([C@@H]2c3ccccc3NC2=O)CC1)C1CC1	ZINC000332719509	554502374	/nfs/dbraw/zinc/50/23/74/554502374.db2.gz	KKDUHZFMFOULEA-CTNGQTDRSA-N	1	1	366.465	2.243	20	30		FEEDMO
CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1	ZINC000333953129	554660491	/nfs/dbraw/zinc/66/04/91/554660491.db2.gz	DCJDAIXNXQVMAT-MRXNPFEDSA-N	1	1	359.474	2.014	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1=O	ZINC000348513880	554687559	/nfs/dbraw/zinc/68/75/59/554687559.db2.gz	ONAOBSNRQIBHCF-ZBFHGGJFSA-N	1	1	363.483	2.083	20	30		FEEDMO
C=CCNC(=O)Cc1noc(-c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1	ZINC000350727209	554810101	/nfs/dbraw/zinc/81/01/01/554810101.db2.gz	SVTOWGUZUOFPPE-GASCZTMLSA-N	1	1	370.453	2.191	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N=c2[nH]n(C)cc2C#N)CC[N@@H+]1Cc1ccccc1	ZINC000612752057	554835711	/nfs/dbraw/zinc/83/57/11/554835711.db2.gz	SLEISCBZEPRSOY-QGZVFWFLSA-N	1	1	352.442	2.420	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N=c2[nH]n(C)cc2C#N)CC[N@H+]1Cc1ccccc1	ZINC000612752057	554835713	/nfs/dbraw/zinc/83/57/13/554835713.db2.gz	SLEISCBZEPRSOY-QGZVFWFLSA-N	1	1	352.442	2.420	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1	ZINC000511624339	561874975	/nfs/dbraw/zinc/87/49/75/561874975.db2.gz	CEBXSLYLQBHBEV-RYUDHWBXSA-N	1	1	361.389	2.441	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)C1(C#N)CCCCC1	ZINC000511643183	561876054	/nfs/dbraw/zinc/87/60/54/561876054.db2.gz	YVCSBZDKOPRXFZ-UONOGXRCSA-N	1	1	361.408	2.164	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)C1(C#N)CCCCC1	ZINC000511643183	561876056	/nfs/dbraw/zinc/87/60/56/561876056.db2.gz	YVCSBZDKOPRXFZ-UONOGXRCSA-N	1	1	361.408	2.164	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)N[C@H]1CCCN(c2ccccc2C#N)C1	ZINC000362746622	554985896	/nfs/dbraw/zinc/98/58/96/554985896.db2.gz	ACHUXWJFZZCKFW-SFHVURJKSA-N	1	1	366.469	2.422	20	30		FEEDMO
CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000511669658	561877527	/nfs/dbraw/zinc/87/75/27/561877527.db2.gz	YLBOQLJFDSEZJI-DISKZWMNSA-N	1	1	351.450	2.409	20	30		FEEDMO
Cn1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1C#N	ZINC000511753223	561879703	/nfs/dbraw/zinc/87/97/03/561879703.db2.gz	CHXIVTRNPGJQRQ-SFHVURJKSA-N	1	1	351.454	2.322	20	30		FEEDMO
N#Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1	ZINC000363260108	555066130	/nfs/dbraw/zinc/06/61/30/555066130.db2.gz	STZLHQJOQBKDDM-JGGQBBKZSA-N	1	1	365.886	2.316	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2ncc(-c3ccccc3OC)o2)CC1	ZINC000363285570	555070850	/nfs/dbraw/zinc/07/08/50/555070850.db2.gz	NPADVHNBGQPQLK-UHFFFAOYSA-N	1	1	353.422	2.312	20	30		FEEDMO
CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1	ZINC000363473443	555114746	/nfs/dbraw/zinc/11/47/46/555114746.db2.gz	BKTOSQJHMDNWMN-DLBZAZTESA-N	1	1	360.502	2.194	20	30		FEEDMO
C=CCN(C(=O)NCC(C)(C)C(=O)NC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363808129	555190442	/nfs/dbraw/zinc/19/04/42/555190442.db2.gz	AJORQLHHOLERAB-GOSISDBHSA-N	1	1	372.513	2.231	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1	ZINC000363824572	555193773	/nfs/dbraw/zinc/19/37/73/555193773.db2.gz	QXFCECUQZWHMHB-KRWDZBQOSA-N	1	1	374.448	2.494	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](Cc3nnc4ccccn43)C2)c1	ZINC000363824572	555193776	/nfs/dbraw/zinc/19/37/76/555193776.db2.gz	QXFCECUQZWHMHB-KRWDZBQOSA-N	1	1	374.448	2.494	20	30		FEEDMO
C[N@H+](CCc1nc(-c2ccccc2)no1)[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000512204807	561896013	/nfs/dbraw/zinc/89/60/13/561896013.db2.gz	WEISUEOCPVCHPM-SFHVURJKSA-N	1	1	361.405	2.309	20	30		FEEDMO
C[N@@H+](CCc1nc(-c2ccccc2)no1)[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000512204807	561896015	/nfs/dbraw/zinc/89/60/15/561896015.db2.gz	WEISUEOCPVCHPM-SFHVURJKSA-N	1	1	361.405	2.309	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1	ZINC000364161501	555260770	/nfs/dbraw/zinc/26/07/70/555260770.db2.gz	MNRPXKVSJFCGBR-PKOBYXMFSA-N	1	1	359.470	2.256	20	30		FEEDMO
C#CCOc1cc(F)ccc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000364424677	555311477	/nfs/dbraw/zinc/31/14/77/555311477.db2.gz	XOHMYCCSOYIKGQ-HNNXBMFYSA-N	1	1	361.417	2.024	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)CC[C@H]2CN(C(C)=O)c3ccccc32)CC1	ZINC000364877928	555423013	/nfs/dbraw/zinc/42/30/13/555423013.db2.gz	GDQAQUYJJLUGAQ-SFHVURJKSA-N	1	1	353.466	2.084	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)cc1OC	ZINC000364930018	555440809	/nfs/dbraw/zinc/44/08/09/555440809.db2.gz	CUWIFKWKRWEGLI-UGAXZCSASA-N	1	1	374.481	2.188	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000365393207	555562223	/nfs/dbraw/zinc/56/22/23/555562223.db2.gz	JGRMVEBWTFKBLD-NIKGAXFTSA-N	1	1	354.454	2.361	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1	ZINC000365393201	555562302	/nfs/dbraw/zinc/56/23/02/555562302.db2.gz	JGRMVEBWTFKBLD-GDIGMMSISA-N	1	1	354.454	2.361	20	30		FEEDMO
Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNc1c(C#N)cccc1C#N	ZINC000365460917	555582045	/nfs/dbraw/zinc/58/20/45/555582045.db2.gz	NEEQAQPLIUIGIZ-UHFFFAOYSA-N	1	1	363.469	2.226	20	30		FEEDMO
C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)CC(C)(C)C#N)CC1	ZINC000365485945	555588333	/nfs/dbraw/zinc/58/83/33/555588333.db2.gz	BWPKMYDHDMJNNW-GOSISDBHSA-N	1	1	368.481	2.048	20	30		FEEDMO
Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3Cl)C2=O)n(C)n1	ZINC000365495187	555590711	/nfs/dbraw/zinc/59/07/11/555590711.db2.gz	XMCLMAWOMWHLCB-CQSZACIVSA-N	1	1	361.808	2.288	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNC(=O)N=c2ccn(CCC#N)[nH]2)[C@@H]1c1cccs1	ZINC000365645501	555630973	/nfs/dbraw/zinc/63/09/73/555630973.db2.gz	CIVLKJOABPGLJI-XJKSGUPXSA-N	1	1	358.471	2.673	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCN(c2ncccn2)CC1	ZINC000365812764	555673175	/nfs/dbraw/zinc/67/31/75/555673175.db2.gz	APNNAWXXOXPMSW-UHFFFAOYSA-N	1	1	370.482	2.339	20	30		FEEDMO
Cc1c(C#N)cccc1C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000513806372	561950614	/nfs/dbraw/zinc/95/06/14/561950614.db2.gz	IABQVPCZXJGGKC-CTNGQTDRSA-N	1	1	363.461	2.480	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+]([C@H]3CCCN(c4ccccc4F)C3=O)CC2)n1	ZINC000366385993	555829240	/nfs/dbraw/zinc/82/92/40/555829240.db2.gz	YBEPJJJIICNCJD-KRWDZBQOSA-N	1	1	368.416	2.121	20	30		FEEDMO
N#Cc1cc(NC(=O)[C@H]2CCCc3[nH+]ccn32)ccc1N1CCC(O)CC1	ZINC000367975566	556186005	/nfs/dbraw/zinc/18/60/05/556186005.db2.gz	YRJYJEBKNGAMPZ-GOSISDBHSA-N	1	1	365.437	2.232	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccc(C#N)cc1	ZINC000368417478	556302566	/nfs/dbraw/zinc/30/25/66/556302566.db2.gz	SHMGIPAJOXIXEV-UXPWSPDFSA-N	1	1	370.497	2.366	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C[C@@H]21	ZINC000368588663	556354758	/nfs/dbraw/zinc/35/47/58/556354758.db2.gz	GTYOYNBGAGDOMC-HKUYNNGSSA-N	1	1	368.481	2.266	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000368615652	556363706	/nfs/dbraw/zinc/36/37/06/556363706.db2.gz	AVWCYBVIDUAOSN-VQTJNVASSA-N	1	1	368.525	2.089	20	30		FEEDMO
C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000368615652	556363709	/nfs/dbraw/zinc/36/37/09/556363709.db2.gz	AVWCYBVIDUAOSN-VQTJNVASSA-N	1	1	368.525	2.089	20	30		FEEDMO
CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N	ZINC000368664015	556378605	/nfs/dbraw/zinc/37/86/05/556378605.db2.gz	SYGSGPSIMJEJCF-CVEARBPZSA-N	1	1	360.483	2.424	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)nn1-c1cccc(C#N)c1	ZINC000368800884	556416341	/nfs/dbraw/zinc/41/63/41/556416341.db2.gz	SWNHKEFTTJSULB-SJLPKXTDSA-N	1	1	364.453	2.610	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](n3cncn3)C2)cc1	ZINC000368871695	556434548	/nfs/dbraw/zinc/43/45/48/556434548.db2.gz	AYGSIYJTZPRWQU-FUHWJXTLSA-N	1	1	352.442	2.169	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](n3cncn3)C2)cc1	ZINC000368871695	556434553	/nfs/dbraw/zinc/43/45/53/556434553.db2.gz	AYGSIYJTZPRWQU-FUHWJXTLSA-N	1	1	352.442	2.169	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)C2(C)CCN(C(=O)c3ccccc3)CC2)CC1	ZINC000369011418	556475522	/nfs/dbraw/zinc/47/55/22/556475522.db2.gz	GSQATCSVJLGQTP-UHFFFAOYSA-N	1	1	367.493	2.096	20	30		FEEDMO
N#Cc1ccccc1OCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1	ZINC000369160725	556521698	/nfs/dbraw/zinc/52/16/98/556521698.db2.gz	KLNLJRNOJNXFRB-GOSISDBHSA-N	1	1	364.449	2.360	20	30		FEEDMO
Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)n1	ZINC000369238862	556545780	/nfs/dbraw/zinc/54/57/80/556545780.db2.gz	SPMLBZZCADYQRQ-RBUKOAKNSA-N	1	1	369.469	2.061	20	30		FEEDMO
Cn1cc([C@H]2[C@@H](CNC(=O)Nc3ccc(C#N)cc3)CCC[N@H+]2C)cn1	ZINC000369421568	556596679	/nfs/dbraw/zinc/59/66/79/556596679.db2.gz	ORHJPKDQRDXZDC-CRAIPNDOSA-N	1	1	352.442	2.496	20	30		FEEDMO
CC(C)(C#N)c1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1	ZINC000369532802	556623244	/nfs/dbraw/zinc/62/32/44/556623244.db2.gz	QFMNSBDSMZBFQA-GOSISDBHSA-N	1	1	368.481	2.042	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1CCC(=O)Nc1sccc1C#N	ZINC000369675276	556665257	/nfs/dbraw/zinc/66/52/57/556665257.db2.gz	FBOYDNSAXKWLEX-CQSZACIVSA-N	1	1	362.499	2.133	20	30		FEEDMO
COC(=O)c1cc(C(C)(C)[NH2+]CCC(=O)Nc2sccc2C#N)no1	ZINC000516351729	562040562	/nfs/dbraw/zinc/04/05/62/562040562.db2.gz	IOGHBFAXFGBGGL-UHFFFAOYSA-N	1	1	362.411	2.248	20	30		FEEDMO
CC[N@@H+](C)[C@@H](C(=O)N1CCC(n2cnc(C#N)n2)CC1)c1ccccc1	ZINC000370041563	556764994	/nfs/dbraw/zinc/76/49/94/556764994.db2.gz	FVIUHMQTRUXLED-GOSISDBHSA-N	1	1	352.442	2.006	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000370304292	556835356	/nfs/dbraw/zinc/83/53/56/556835356.db2.gz	XOXAOTTXJAZFQN-OALUTQOASA-N	1	1	373.497	2.382	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)CN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c1C	ZINC000370355157	556848849	/nfs/dbraw/zinc/84/88/49/556848849.db2.gz	LDRADMLDHJKOAE-OALUTQOASA-N	1	1	359.514	2.395	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1	ZINC000370440346	556873975	/nfs/dbraw/zinc/87/39/75/556873975.db2.gz	ITSQQUVFBURIGJ-MSOLQXFVSA-N	1	1	353.422	2.356	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1	ZINC000370440346	556873976	/nfs/dbraw/zinc/87/39/76/556873976.db2.gz	ITSQQUVFBURIGJ-MSOLQXFVSA-N	1	1	353.422	2.356	20	30		FEEDMO
CC(C)[N@H+]1CCO[C@@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000370601175	556918810	/nfs/dbraw/zinc/91/88/10/556918810.db2.gz	FULUISCDOLTHDC-MRXNPFEDSA-N	1	1	354.372	2.282	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1	ZINC000370774087	556964538	/nfs/dbraw/zinc/96/45/38/556964538.db2.gz	NYKCXQDCNNFUOP-ICSRJNTNSA-N	1	1	354.454	2.230	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@H+]2CCOC[C@@H]2C)CC1	ZINC000517214125	562079825	/nfs/dbraw/zinc/07/98/25/562079825.db2.gz	ZFFCYBABMWKHNW-JKSUJKDBSA-N	1	1	356.470	2.070	20	30		FEEDMO
N#Cc1ccc(F)c(CNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c1	ZINC000371213123	557108720	/nfs/dbraw/zinc/10/87/20/557108720.db2.gz	QSMCDSWZDGPOTJ-MSOLQXFVSA-N	1	1	360.433	2.140	20	30		FEEDMO
C[NH+](C)[C@H](C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)c1ccccc1	ZINC000371322439	557145878	/nfs/dbraw/zinc/14/58/78/557145878.db2.gz	FRJNAXVEZANHJN-BPXKWBHBSA-N	1	1	374.444	2.161	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)C[C@]12C(=O)Nc1ccccc12	ZINC000371470483	557190782	/nfs/dbraw/zinc/19/07/82/557190782.db2.gz	LTWGSNOIQNOATD-IERDGZPVSA-N	1	1	370.416	2.113	20	30		FEEDMO
N#C[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)C[C@]12C(=O)Nc1ccccc12	ZINC000371470483	557190784	/nfs/dbraw/zinc/19/07/84/557190784.db2.gz	LTWGSNOIQNOATD-IERDGZPVSA-N	1	1	370.416	2.113	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC[C@H]2C2CC2)CC1	ZINC000371470298	557191250	/nfs/dbraw/zinc/19/12/50/557191250.db2.gz	KNYAASKVMBPPIE-IRXDYDNUSA-N	1	1	358.511	2.331	20	30		FEEDMO
C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)[C@@H]2C1	ZINC000371493156	557199230	/nfs/dbraw/zinc/19/92/30/557199230.db2.gz	MYGKLSGCXACASJ-GXTWGEPZSA-N	1	1	373.400	2.292	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)[C@@H]2C1	ZINC000371493156	557199233	/nfs/dbraw/zinc/19/92/33/557199233.db2.gz	MYGKLSGCXACASJ-GXTWGEPZSA-N	1	1	373.400	2.292	20	30		FEEDMO
N#CCCN(CC1CC1)C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1	ZINC000518134212	562105173	/nfs/dbraw/zinc/10/51/73/562105173.db2.gz	IWHXBLRABPSEGL-GOSISDBHSA-N	1	1	371.485	2.170	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21	ZINC000372297663	557432965	/nfs/dbraw/zinc/43/29/65/557432965.db2.gz	JLJUWDLDTXJFGK-KRWDZBQOSA-N	1	1	351.406	2.249	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21	ZINC000372297663	557432966	/nfs/dbraw/zinc/43/29/66/557432966.db2.gz	JLJUWDLDTXJFGK-KRWDZBQOSA-N	1	1	351.406	2.249	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O	ZINC000372353809	557448604	/nfs/dbraw/zinc/44/86/04/557448604.db2.gz	AMFMPQXLFMHPEX-QKKBWIMNSA-N	1	1	360.417	2.481	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O	ZINC000372353809	557448606	/nfs/dbraw/zinc/44/86/06/557448606.db2.gz	AMFMPQXLFMHPEX-QKKBWIMNSA-N	1	1	360.417	2.481	20	30		FEEDMO
C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)cc1	ZINC000372434789	557469960	/nfs/dbraw/zinc/46/99/60/557469960.db2.gz	FJILUYCZEUTCRP-LPHOPBHVSA-N	1	1	357.454	2.191	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNC(=O)[C@@]2(C#N)CCc3ccccc3C2)CCCO1	ZINC000372894318	557584293	/nfs/dbraw/zinc/58/42/93/557584293.db2.gz	ZCDPBVVPUTZLGX-UWJYYQICSA-N	1	1	355.482	2.302	20	30		FEEDMO
C=CCN1CC(=O)N(CC2CC[NH+](Cc3csc(CC)n3)CC2)C1=O	ZINC000372921075	557588852	/nfs/dbraw/zinc/58/88/52/557588852.db2.gz	RFRXBFAQJKCVMV-UHFFFAOYSA-N	1	1	362.499	2.368	20	30		FEEDMO
CN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]4O[C@H](CC#N)C[C@@H]43)cn2)CC1	ZINC000373223029	557653065	/nfs/dbraw/zinc/65/30/65/557653065.db2.gz	GBQIIJBCNZGLQZ-WTGUMLROSA-N	1	1	369.513	2.163	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(COC)(C(=O)OCC)CC1	ZINC000373804582	557762835	/nfs/dbraw/zinc/76/28/35/557762835.db2.gz	JQCDUBBXADNXCC-INIZCTEOSA-N	1	1	354.491	2.091	20	30		FEEDMO
N#Cc1cccc(-n2ccc(C(=O)N3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)n2)c1	ZINC000373960172	557796754	/nfs/dbraw/zinc/79/67/54/557796754.db2.gz	YUHGGMTUHDFTFH-QRFRQXIXSA-N	1	1	361.449	2.300	20	30		FEEDMO
C[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O	ZINC000374109552	557825067	/nfs/dbraw/zinc/82/50/67/557825067.db2.gz	SQIUFHYIUJFTDK-SFHVURJKSA-N	1	1	369.465	2.346	20	30		FEEDMO
N#C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000374363481	557871957	/nfs/dbraw/zinc/87/19/57/557871957.db2.gz	SLWWZDBIMPGYMO-MGPUTAFESA-N	1	1	362.389	2.483	20	30		FEEDMO
N#C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@]12C(=O)Nc1ccccc12	ZINC000374363481	557871959	/nfs/dbraw/zinc/87/19/59/557871959.db2.gz	SLWWZDBIMPGYMO-MGPUTAFESA-N	1	1	362.389	2.483	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](CNC(=O)c3ccco3)C2)cc1	ZINC000374565427	557900479	/nfs/dbraw/zinc/90/04/79/557900479.db2.gz	GZFJXHZKGVBKRO-AEFFLSMTSA-N	1	1	353.422	2.327	20	30		FEEDMO
Cn1cc([C@H]2[C@H](CNC(=O)c3ccc(F)c(C#N)c3)CCC[N@H+]2C)cn1	ZINC000375104891	557978561	/nfs/dbraw/zinc/97/85/61/557978561.db2.gz	JCLXTWKMYXHOOB-KBXCAEBGSA-N	1	1	355.417	2.244	20	30		FEEDMO
Cn1cc(-c2cc(C[N@H+]3CCCN(c4ncccc4C#N)CC3)on2)cn1	ZINC000375108641	557979216	/nfs/dbraw/zinc/97/92/16/557979216.db2.gz	XLJTXAWHNMPZIT-UHFFFAOYSA-N	1	1	363.425	2.054	20	30		FEEDMO
Cc1noc(C)c1CO[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000375156127	557985041	/nfs/dbraw/zinc/98/50/41/557985041.db2.gz	AYXOFYCDFLWVHH-SFHVURJKSA-N	1	1	368.437	2.070	20	30		FEEDMO
Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000375156127	557985043	/nfs/dbraw/zinc/98/50/43/557985043.db2.gz	AYXOFYCDFLWVHH-SFHVURJKSA-N	1	1	368.437	2.070	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)C1=O	ZINC000375594240	558054301	/nfs/dbraw/zinc/05/43/01/558054301.db2.gz	CVKPAVSFDPKHAZ-HNNXBMFYSA-N	1	1	368.403	2.399	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)C1=O	ZINC000375605876	558056043	/nfs/dbraw/zinc/05/60/43/558056043.db2.gz	FVWWXOZXZNEYPZ-SJORKVTESA-N	1	1	351.454	2.438	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC[C@H]3Cn3ccnn3)C2=O)cc1	ZINC000375692289	558068484	/nfs/dbraw/zinc/06/84/84/558068484.db2.gz	OTLZIJKXTPEAEI-OALUTQOASA-N	1	1	364.453	2.200	20	30		FEEDMO
CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1	ZINC000375966699	558106409	/nfs/dbraw/zinc/10/64/09/558106409.db2.gz	CLCLVIJTLCUQIW-INIZCTEOSA-N	1	1	367.453	2.242	20	30		FEEDMO
CC(C)(CCC#N)CNC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000377034518	558254134	/nfs/dbraw/zinc/25/41/34/558254134.db2.gz	PJYDDSYLXLXEED-MSOLQXFVSA-N	1	1	358.486	2.251	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000521902508	562186136	/nfs/dbraw/zinc/18/61/36/562186136.db2.gz	ALVGNUJHKNFXDC-INIZCTEOSA-N	1	1	370.432	2.171	20	30		FEEDMO
CC(C)c1nccn1C[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000377717468	558404291	/nfs/dbraw/zinc/40/42/91/558404291.db2.gz	IGDDKDFGPAXLGD-KRWDZBQOSA-N	1	1	356.474	2.127	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1)C1CC1	ZINC000377717489	558404428	/nfs/dbraw/zinc/40/44/28/558404428.db2.gz	HLWDZWXSMSKHFF-UCLAIMLFSA-N	1	1	361.873	2.156	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1)C1CC1	ZINC000377717489	558404431	/nfs/dbraw/zinc/40/44/31/558404431.db2.gz	HLWDZWXSMSKHFF-UCLAIMLFSA-N	1	1	361.873	2.156	20	30		FEEDMO
C[C@](C#N)(NC(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1	ZINC000377732535	558407507	/nfs/dbraw/zinc/40/75/07/558407507.db2.gz	MMTQNEBRACUNLH-NNMXDRDESA-N	1	1	366.509	2.249	20	30		FEEDMO
N#Cc1cccc([C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)CCO2)c1	ZINC000378298565	558523407	/nfs/dbraw/zinc/52/34/07/558523407.db2.gz	GVQQUGQTEUEYPC-WOJBJXKFSA-N	1	1	369.465	2.102	20	30		FEEDMO
C[C@H]1CN(Cc2cn3ccccc3c2C#N)CC[N@@H+]1C1CCN(C)CC1	ZINC000378369067	558541173	/nfs/dbraw/zinc/54/11/73/558541173.db2.gz	JPFGCWIJZXCSQN-KRWDZBQOSA-N	1	1	351.498	2.411	20	30		FEEDMO
C[C@H]1CN(Cc2cn3ccccc3c2C#N)CC[N@H+]1C1CCN(C)CC1	ZINC000378369067	558541177	/nfs/dbraw/zinc/54/11/77/558541177.db2.gz	JPFGCWIJZXCSQN-KRWDZBQOSA-N	1	1	351.498	2.411	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1	ZINC000378447076	558559367	/nfs/dbraw/zinc/55/93/67/558559367.db2.gz	ACPLNFVRSGLZCY-QAPCUYQASA-N	1	1	357.454	2.133	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000378459543	558562524	/nfs/dbraw/zinc/56/25/24/558562524.db2.gz	UAQWJEUSAZPSTG-GPMSIDNRSA-N	1	1	358.461	2.487	20	30		FEEDMO
Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N	ZINC000385112035	558605889	/nfs/dbraw/zinc/60/58/89/558605889.db2.gz	PXGZHILQTCCRTM-SFHVURJKSA-N	1	1	355.463	2.420	20	30		FEEDMO
Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N	ZINC000385112035	558605891	/nfs/dbraw/zinc/60/58/91/558605891.db2.gz	PXGZHILQTCCRTM-SFHVURJKSA-N	1	1	355.463	2.420	20	30		FEEDMO
C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)n1cnc(C#N)n1	ZINC000524181592	562225059	/nfs/dbraw/zinc/22/50/59/562225059.db2.gz	LHQPXSCSATYKKD-CCNLRDMRSA-N	1	1	364.453	2.023	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)n1cnc(C#N)n1	ZINC000409459515	558694207	/nfs/dbraw/zinc/69/42/07/558694207.db2.gz	RTGPQPBHQNQWHR-CVEARBPZSA-N	1	1	366.469	2.402	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1	ZINC000409527832	558700508	/nfs/dbraw/zinc/70/05/08/558700508.db2.gz	IHLZNPNDRLTOCY-JKSUJKDBSA-N	1	1	368.503	2.123	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)N(CC)C[C@H](C)C#N)C1	ZINC000410130634	558740656	/nfs/dbraw/zinc/74/06/56/558740656.db2.gz	MTTUMODGUQBYGU-HZPDHXFCSA-N	1	1	358.552	2.203	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1	ZINC000410365698	558753128	/nfs/dbraw/zinc/75/31/28/558753128.db2.gz	KHJIZGFMGYDNFA-QGZVFWFLSA-N	1	1	367.453	2.037	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@H+](CC)C[C@@H]3C)cc2C1=O	ZINC000525030879	562239517	/nfs/dbraw/zinc/23/95/17/562239517.db2.gz	DKHHIPRNRTUPLR-KSSFIOAISA-N	1	1	369.465	2.271	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1	ZINC000412679535	559050409	/nfs/dbraw/zinc/05/04/09/559050409.db2.gz	XCJNHQCWPWSXFY-VQIMIIECSA-N	1	1	352.438	2.153	20	30		FEEDMO
COC(=O)[C@H]1CN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@@H+](C)C1	ZINC000413588361	559118567	/nfs/dbraw/zinc/11/85/67/559118567.db2.gz	XSFBUFSUBVSDAR-QZTJIDSGSA-N	1	1	372.469	2.168	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)C[C@@H](C)C#N	ZINC000413759029	559129050	/nfs/dbraw/zinc/12/90/50/559129050.db2.gz	HWJMSJPDDVULCP-QXAKKESOSA-N	1	1	358.486	2.325	20	30		FEEDMO
Cc1cc(=NC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[nH]n1CCC#N	ZINC000416962794	559340580	/nfs/dbraw/zinc/34/05/80/559340580.db2.gz	VHBDITPPNHAQIJ-QGZVFWFLSA-N	1	1	366.469	2.843	20	30		FEEDMO
Cc1cc(=NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[nH]n1CCC#N	ZINC000416962794	559340581	/nfs/dbraw/zinc/34/05/81/559340581.db2.gz	VHBDITPPNHAQIJ-QGZVFWFLSA-N	1	1	366.469	2.843	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)Nc2cccc(C)c2S(C)(=O)=O)CC1	ZINC000417315409	559357154	/nfs/dbraw/zinc/35/71/54/559357154.db2.gz	BIIXANXDJIZZFN-UHFFFAOYSA-N	1	1	351.472	2.170	20	30		FEEDMO
C[C@@H]1[C@H](C)C[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@H]1C	ZINC000419382946	559440373	/nfs/dbraw/zinc/44/03/73/559440373.db2.gz	ZMSXDGOEJRPPET-WCXIOVBPSA-N	1	1	360.527	2.433	20	30		FEEDMO
CC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1	ZINC000420976611	559516001	/nfs/dbraw/zinc/51/60/01/559516001.db2.gz	BDBYRFTZYXZQIU-GXTWGEPZSA-N	1	1	374.510	2.284	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000420979332	559516593	/nfs/dbraw/zinc/51/65/93/559516593.db2.gz	KKMYAWGHRULHAF-LJQANCHMSA-N	1	1	364.578	2.292	20	30		FEEDMO
CNC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000420980062	559516890	/nfs/dbraw/zinc/51/68/90/559516890.db2.gz	UBBGQGUJJVUUIZ-CHWSQXEVSA-N	1	1	374.510	2.284	20	30		FEEDMO
CNC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000420980062	559516891	/nfs/dbraw/zinc/51/68/91/559516891.db2.gz	UBBGQGUJJVUUIZ-CHWSQXEVSA-N	1	1	374.510	2.284	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCC(C)(C)CC#N)C1	ZINC000422478796	559590886	/nfs/dbraw/zinc/59/08/86/559590886.db2.gz	IQEHOUVGTOXUSC-DLBZAZTESA-N	1	1	362.518	2.155	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000422523949	559592749	/nfs/dbraw/zinc/59/27/49/559592749.db2.gz	DVAJCFZDFCWLJV-ZCNNSNEGSA-N	1	1	369.509	2.233	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C	ZINC000422530687	559593183	/nfs/dbraw/zinc/59/31/83/559593183.db2.gz	RFJBUHQRVZTDSB-MISYRCLQSA-N	1	1	371.525	2.479	20	30		FEEDMO
Cn1nc(C(F)F)c2cc(C(=O)NC3(C#N)CC[NH+](C)CC3)sc21	ZINC000527318931	562285113	/nfs/dbraw/zinc/28/51/13/562285113.db2.gz	XXQHCDTVZCHJSC-UHFFFAOYSA-N	1	1	353.398	2.290	20	30		FEEDMO
CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC1	ZINC000425385880	559699271	/nfs/dbraw/zinc/69/92/71/559699271.db2.gz	NWRFPCWRXWZDDT-HOTGVXAUSA-N	1	1	356.470	2.020	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H](c2ccccc2)C1	ZINC000425409190	559700693	/nfs/dbraw/zinc/70/06/93/559700693.db2.gz	ADFZLFBJZYRJOF-SXLOBPIMSA-N	1	1	369.513	2.357	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H](c2ccccc2)C1	ZINC000425409190	559700694	/nfs/dbraw/zinc/70/06/94/559700694.db2.gz	ADFZLFBJZYRJOF-SXLOBPIMSA-N	1	1	369.513	2.357	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)N[C@@H]2CC[C@H](C#N)C2)[C@H](c2ccccc2)C1	ZINC000425409190	559700695	/nfs/dbraw/zinc/70/06/95/559700695.db2.gz	ADFZLFBJZYRJOF-SXLOBPIMSA-N	1	1	369.513	2.357	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](n3ccnn3)C2)c(OC)c1	ZINC000425497091	559705637	/nfs/dbraw/zinc/70/56/37/559705637.db2.gz	BYFLOAASGLAQAZ-ROUUACIJSA-N	1	1	372.469	2.092	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1	ZINC000425543041	559708743	/nfs/dbraw/zinc/70/87/43/559708743.db2.gz	RKKKNOUTYMHTPU-YJBOKZPZSA-N	1	1	357.454	2.495	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1	ZINC000425543041	559708744	/nfs/dbraw/zinc/70/87/44/559708744.db2.gz	RKKKNOUTYMHTPU-YJBOKZPZSA-N	1	1	357.454	2.495	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O	ZINC000425544526	559709113	/nfs/dbraw/zinc/70/91/13/559709113.db2.gz	POTRQFXOAIQQGS-INIZCTEOSA-N	1	1	371.481	2.418	20	30		FEEDMO
N#C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1	ZINC000425718623	559716000	/nfs/dbraw/zinc/71/60/00/559716000.db2.gz	ABKPPXDIISPLRI-KFKAGJAMSA-N	1	1	356.470	2.135	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000425884967	559723956	/nfs/dbraw/zinc/72/39/56/559723956.db2.gz	LBYKWPAEYYSXRA-LPHOPBHVSA-N	1	1	370.497	2.458	20	30		FEEDMO
C=CCc1cc(C[NH+]2CCN(C(C)(C)C(=O)OC)CC2)cc(OC)c1O	ZINC000428423132	559775302	/nfs/dbraw/zinc/77/53/02/559775302.db2.gz	SUKACCSIPBFWLL-UHFFFAOYSA-N	1	1	362.470	2.199	20	30		FEEDMO
C[C@H](c1ccccc1)[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)C(N)=O	ZINC000428865748	559785208	/nfs/dbraw/zinc/78/52/08/559785208.db2.gz	WTCWRSMPYCKFRO-XIKOKIGWSA-N	1	1	370.840	2.397	20	30		FEEDMO
C[C@H]1CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC[N@@H+]1CCO	ZINC000429453653	559799021	/nfs/dbraw/zinc/79/90/21/559799021.db2.gz	NYWIBPOPDAINTP-KRWDZBQOSA-N	1	1	364.449	2.012	20	30		FEEDMO
C[C@H]1CN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC[N@H+]1CCO	ZINC000429453653	559799022	/nfs/dbraw/zinc/79/90/22/559799022.db2.gz	NYWIBPOPDAINTP-KRWDZBQOSA-N	1	1	364.449	2.012	20	30		FEEDMO
C[N@H+](CCCNC(=O)C1CCC1)Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000429551144	559801012	/nfs/dbraw/zinc/80/10/12/559801012.db2.gz	ZZXOPAOIKABYHT-UHFFFAOYSA-N	1	1	353.426	2.346	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C1CCC1)Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000429551144	559801013	/nfs/dbraw/zinc/80/10/13/559801013.db2.gz	ZZXOPAOIKABYHT-UHFFFAOYSA-N	1	1	353.426	2.346	20	30		FEEDMO
Cc1cccc2c1C[N@@H+](CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC2	ZINC000429561709	559801454	/nfs/dbraw/zinc/80/14/54/559801454.db2.gz	SHJAZSLBVSZSDJ-HXUWFJFHSA-N	1	1	354.498	2.046	20	30		FEEDMO
C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000430085276	559812691	/nfs/dbraw/zinc/81/26/91/559812691.db2.gz	LWMIXKDNDMAYNX-ZDUSSCGKSA-N	1	1	361.389	2.043	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCN(S(C)(=O)=O)C1	ZINC000430085276	559812692	/nfs/dbraw/zinc/81/26/92/559812692.db2.gz	LWMIXKDNDMAYNX-ZDUSSCGKSA-N	1	1	361.389	2.043	20	30		FEEDMO
COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cccc(SCC#N)c2)CC1	ZINC000430692898	559826495	/nfs/dbraw/zinc/82/64/95/559826495.db2.gz	XDGNBHXDGNOIAO-AWEZNQCLSA-N	1	1	361.467	2.012	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H](C)O1	ZINC000432047852	559851006	/nfs/dbraw/zinc/85/10/06/559851006.db2.gz	IXKKILOXPFPBED-GASCZTMLSA-N	1	1	358.486	2.242	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(C#N)cc(N(C)C)c2)C[C@H](C)O1	ZINC000432047852	559851007	/nfs/dbraw/zinc/85/10/07/559851007.db2.gz	IXKKILOXPFPBED-GASCZTMLSA-N	1	1	358.486	2.242	20	30		FEEDMO
C=CCC(C)(C)CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000432074847	559851465	/nfs/dbraw/zinc/85/14/65/559851465.db2.gz	HYKABRQFGXWISZ-UHFFFAOYSA-N	1	1	359.518	2.495	20	30		FEEDMO
CN(CC(C)(C)C#N)C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000432757074	559864126	/nfs/dbraw/zinc/86/41/26/559864126.db2.gz	IHRRVPGZTBOSOQ-MRXNPFEDSA-N	1	1	357.458	2.150	20	30		FEEDMO
CN(CC(C)(C)C#N)C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1	ZINC000432757074	559864127	/nfs/dbraw/zinc/86/41/27/559864127.db2.gz	IHRRVPGZTBOSOQ-MRXNPFEDSA-N	1	1	357.458	2.150	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1C	ZINC000434983832	559913731	/nfs/dbraw/zinc/91/37/31/559913731.db2.gz	UKAUQTZBRXKIEQ-YOEHRIQHSA-N	1	1	353.426	2.242	20	30		FEEDMO
CC[N@H+](CCNS(=O)(=O)c1ccc(C#N)s1)CCC(F)(F)F	ZINC000435444487	559923360	/nfs/dbraw/zinc/92/33/60/559923360.db2.gz	XZHOWVBIBPEGPM-UHFFFAOYSA-N	1	1	355.407	2.172	20	30		FEEDMO
CC[N@@H+](CCNS(=O)(=O)c1ccc(C#N)s1)CCC(F)(F)F	ZINC000435444487	559923361	/nfs/dbraw/zinc/92/33/61/559923361.db2.gz	XZHOWVBIBPEGPM-UHFFFAOYSA-N	1	1	355.407	2.172	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)no1	ZINC000435878689	559931707	/nfs/dbraw/zinc/93/17/07/559931707.db2.gz	FDUQEOIZJNBQLS-ZDUSSCGKSA-N	1	1	359.455	2.188	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)no1	ZINC000435878689	559931708	/nfs/dbraw/zinc/93/17/08/559931708.db2.gz	FDUQEOIZJNBQLS-ZDUSSCGKSA-N	1	1	359.455	2.188	20	30		FEEDMO
CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@@H+](CCCC2(C#N)CCOCC2)C1	ZINC000440502046	560012568	/nfs/dbraw/zinc/01/25/68/560012568.db2.gz	RCFBJAPXFYGSJR-IBGZPJMESA-N	1	1	365.518	2.483	20	30		FEEDMO
COc1cc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1C#N	ZINC000440817183	560018913	/nfs/dbraw/zinc/01/89/13/560018913.db2.gz	PBLSLGFZTUTCDZ-NRFANRHFSA-N	1	1	351.450	2.293	20	30		FEEDMO
COc1cc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1C#N	ZINC000440817183	560018914	/nfs/dbraw/zinc/01/89/14/560018914.db2.gz	PBLSLGFZTUTCDZ-NRFANRHFSA-N	1	1	351.450	2.293	20	30		FEEDMO
C[N@@H+](CCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)C1CC1	ZINC000444148232	560103088	/nfs/dbraw/zinc/10/30/88/560103088.db2.gz	YGCXMWDOIPVQBO-UHFFFAOYSA-N	1	1	361.877	2.137	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000448982113	560210182	/nfs/dbraw/zinc/21/01/82/560210182.db2.gz	WIUVMTRLOOCMMK-HIFRSBDPSA-N	1	1	374.872	2.117	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)COc1cccc(Br)c1C#N	ZINC000449171881	560218895	/nfs/dbraw/zinc/21/88/95/560218895.db2.gz	BDKRRINNJDRJPJ-LBPRGKRZSA-N	1	1	366.259	2.300	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)COc1ccc(C#N)c(Br)c1	ZINC000449843771	560242280	/nfs/dbraw/zinc/24/22/80/560242280.db2.gz	SLWQUSFQBXZVIA-GFCCVEGCSA-N	1	1	366.259	2.110	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)n1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000450127847	560251484	/nfs/dbraw/zinc/25/14/84/560251484.db2.gz	GFTYFPYFPNJCLI-UYAOXDASSA-N	1	1	366.465	2.306	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)n1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000450127847	560251485	/nfs/dbraw/zinc/25/14/85/560251485.db2.gz	GFTYFPYFPNJCLI-UYAOXDASSA-N	1	1	366.465	2.306	20	30		FEEDMO
C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C(C)(C)C1	ZINC000450521192	560264935	/nfs/dbraw/zinc/26/49/35/560264935.db2.gz	XBAWYWRLADIRDP-CQSZACIVSA-N	1	1	374.872	2.117	20	30		FEEDMO
COc1cc(OC)c2ncc(C#N)c(NC[C@H]3CCC[N@H+]3CCCO)c2c1	ZINC000450588525	560267182	/nfs/dbraw/zinc/26/71/82/560267182.db2.gz	BOEAFSYRDIDQRD-OAHLLOKOSA-N	1	1	370.453	2.382	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1	ZINC000450911304	560278137	/nfs/dbraw/zinc/27/81/37/560278137.db2.gz	WQZDNRMRBRDJJT-CVEARBPZSA-N	1	1	359.426	2.123	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1	ZINC000450911304	560278138	/nfs/dbraw/zinc/27/81/38/560278138.db2.gz	WQZDNRMRBRDJJT-CVEARBPZSA-N	1	1	359.426	2.123	20	30		FEEDMO
CC[C@H]1[C@H](CO)CC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000451253353	560296068	/nfs/dbraw/zinc/29/60/68/560296068.db2.gz	JNWGCEWMFDTREN-RDJZCZTQSA-N	1	1	368.399	2.266	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)C1	ZINC000451275898	560297625	/nfs/dbraw/zinc/29/76/25/560297625.db2.gz	YQWNRADHMRLOLE-DOMZBBRYSA-N	1	1	355.891	2.413	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)S(=O)(=O)CC(C)(C)CC#N	ZINC000451423742	560306216	/nfs/dbraw/zinc/30/62/16/560306216.db2.gz	DAPXBVMWIGKMIO-IRXDYDNUSA-N	1	1	364.515	2.276	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(CC#Cc3ccccc3)C2)CC1	ZINC000451529818	560312392	/nfs/dbraw/zinc/31/23/92/560312392.db2.gz	OBQPMNKWVJADIN-QFIPXVFZSA-N	1	1	353.510	2.304	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000451550438	560313989	/nfs/dbraw/zinc/31/39/89/560313989.db2.gz	RRSCBMWAUNIETN-DZGCQCFKSA-N	1	1	360.414	2.175	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1	ZINC000451550438	560313990	/nfs/dbraw/zinc/31/39/90/560313990.db2.gz	RRSCBMWAUNIETN-DZGCQCFKSA-N	1	1	360.414	2.175	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H]([C@@H](O)C(F)(F)F)C3)C2=O)cc1	ZINC000451882237	560334171	/nfs/dbraw/zinc/33/41/71/560334171.db2.gz	CJJZTMSFOGCRMF-VNQPRFMTSA-N	1	1	367.371	2.299	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H]([C@@H](O)C(F)(F)F)C3)C2=O)cc1	ZINC000451882237	560334172	/nfs/dbraw/zinc/33/41/72/560334172.db2.gz	CJJZTMSFOGCRMF-VNQPRFMTSA-N	1	1	367.371	2.299	20	30		FEEDMO
C=CCn1c([C@H]2CCCO2)nnc1N1CC[N@H+](CCOCC)[C@@H](CC)C1	ZINC000453412361	560386094	/nfs/dbraw/zinc/38/60/94/560386094.db2.gz	GOBPINICIGFJGA-DLBZAZTESA-N	1	1	363.506	2.253	20	30		FEEDMO
C=CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1	ZINC000453433062	560386532	/nfs/dbraw/zinc/38/65/32/560386532.db2.gz	FWDGZEIIOXSTKE-OAHLLOKOSA-N	1	1	369.473	2.030	20	30		FEEDMO
C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1	ZINC000453448478	560387003	/nfs/dbraw/zinc/38/70/03/560387003.db2.gz	CLUYYQUWHSYBFC-SJORKVTESA-N	1	1	365.522	2.497	20	30		FEEDMO
N#CCc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)c1	ZINC000453573771	560389135	/nfs/dbraw/zinc/38/91/35/560389135.db2.gz	HRBIOKAFXPWFQI-HOTGVXAUSA-N	1	1	360.845	2.088	20	30		FEEDMO
N#CCc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)c1	ZINC000453573770	560389189	/nfs/dbraw/zinc/38/91/89/560389189.db2.gz	HRBIOKAFXPWFQI-CVEARBPZSA-N	1	1	360.845	2.088	20	30		FEEDMO
N#CCc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000453582284	560389620	/nfs/dbraw/zinc/38/96/20/560389620.db2.gz	SYLTULBQFKGIIP-IBGZPJMESA-N	1	1	362.433	2.082	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2Cl)C1	ZINC000453665634	560394742	/nfs/dbraw/zinc/39/47/42/560394742.db2.gz	GUBHGGTYIYCGMR-MLGOLLRUSA-N	1	1	362.861	2.189	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@H+]1C	ZINC000453771406	560403130	/nfs/dbraw/zinc/40/31/30/560403130.db2.gz	UODIGZFYDJGTMI-KGLIPLIRSA-N	1	1	372.469	2.225	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC[N@@H+]1C	ZINC000453771406	560403131	/nfs/dbraw/zinc/40/31/31/560403131.db2.gz	UODIGZFYDJGTMI-KGLIPLIRSA-N	1	1	372.469	2.225	20	30		FEEDMO
C=C(CC)CNC(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000454028633	560423316	/nfs/dbraw/zinc/42/33/16/560423316.db2.gz	KRPGBISZDIRGIV-IYBDPMFKSA-N	1	1	359.470	2.317	20	30		FEEDMO
C=C(CC)CNC(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000454028633	560423317	/nfs/dbraw/zinc/42/33/17/560423317.db2.gz	KRPGBISZDIRGIV-IYBDPMFKSA-N	1	1	359.470	2.317	20	30		FEEDMO
C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000455727230	560493069	/nfs/dbraw/zinc/49/30/69/560493069.db2.gz	FVWGBGOKOTVTBP-MLGOLLRUSA-N	1	1	350.850	2.325	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)CC#N	ZINC000459231137	560675260	/nfs/dbraw/zinc/67/52/60/560675260.db2.gz	GRQPGPDGYCSTGM-HXUWFJFHSA-N	1	1	358.486	2.205	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000459257789	560676433	/nfs/dbraw/zinc/67/64/33/560676433.db2.gz	KOROTWYWFAFNNR-QZTJIDSGSA-N	1	1	358.486	2.108	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000459577673	560695169	/nfs/dbraw/zinc/69/51/69/560695169.db2.gz	HFWOKNHDQNOURS-FQEVSTJZSA-N	1	1	357.454	2.228	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000459577673	560695170	/nfs/dbraw/zinc/69/51/70/560695170.db2.gz	HFWOKNHDQNOURS-FQEVSTJZSA-N	1	1	357.454	2.228	20	30		FEEDMO
C=C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1	ZINC000460651647	560748272	/nfs/dbraw/zinc/74/82/72/560748272.db2.gz	YZWBYJPVIJQFFF-COXVUDFISA-N	1	1	353.413	2.335	20	30		FEEDMO
C=C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1	ZINC000460651647	560748273	/nfs/dbraw/zinc/74/82/73/560748273.db2.gz	YZWBYJPVIJQFFF-COXVUDFISA-N	1	1	353.413	2.335	20	30		FEEDMO
COCCOCc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)cc1	ZINC000461050519	560760298	/nfs/dbraw/zinc/76/02/98/560760298.db2.gz	JWOVBIWJPGKDDH-LJQANCHMSA-N	1	1	353.422	2.037	20	30		FEEDMO
CC(C)[C@@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000461721855	560780355	/nfs/dbraw/zinc/78/03/55/560780355.db2.gz	AFNTWQYJLXPHJC-YRNRMSPPSA-N	1	1	371.481	2.282	20	30		FEEDMO
CC(C)[C@@H](C(=O)N1CC(Oc2ccc(C#N)cc2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000461721855	560780356	/nfs/dbraw/zinc/78/03/56/560780356.db2.gz	AFNTWQYJLXPHJC-YRNRMSPPSA-N	1	1	371.481	2.282	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@@H]3CCC[C@H]3C#N)c2)CCO1	ZINC000461941152	560788908	/nfs/dbraw/zinc/78/89/08/560788908.db2.gz	NFYOAMJWSZVYGO-AYOQOUSVSA-N	1	1	356.470	2.399	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@@H]3CCC[C@H]3C#N)c2)CCO1	ZINC000461941152	560788909	/nfs/dbraw/zinc/78/89/09/560788909.db2.gz	NFYOAMJWSZVYGO-AYOQOUSVSA-N	1	1	356.470	2.399	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1	ZINC000464799339	560851543	/nfs/dbraw/zinc/85/15/43/560851543.db2.gz	OKQKCPQQFYVKNI-YWZLYKJASA-N	1	1	372.444	2.063	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1	ZINC000464799339	560851544	/nfs/dbraw/zinc/85/15/44/560851544.db2.gz	OKQKCPQQFYVKNI-YWZLYKJASA-N	1	1	372.444	2.063	20	30		FEEDMO
C[NH+](C)C1(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)CCCCC1	ZINC000467139471	560904545	/nfs/dbraw/zinc/90/45/45/560904545.db2.gz	SUVRWRLIRUZDAI-UHFFFAOYSA-N	1	1	357.426	2.379	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C1=O	ZINC000467522119	560911997	/nfs/dbraw/zinc/91/19/97/560911997.db2.gz	UGPHCLFBBDMUMR-KRWDZBQOSA-N	1	1	356.426	2.176	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1	ZINC000469197712	560949697	/nfs/dbraw/zinc/94/96/97/560949697.db2.gz	XPLCYXXEAWRJLK-NHCUHLMSSA-N	1	1	371.525	2.244	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1	ZINC000470820408	560990619	/nfs/dbraw/zinc/99/06/19/560990619.db2.gz	CKHPXJYHVIJWNB-ROUUACIJSA-N	1	1	369.444	2.401	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCCN(c2nc(C)ccc2C#N)C1	ZINC000473506723	561051563	/nfs/dbraw/zinc/05/15/63/561051563.db2.gz	NOXOYDFCBBZBOG-OALUTQOASA-N	1	1	369.513	2.421	20	30		FEEDMO
CCN(CCC[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C)CC(F)(F)F	ZINC000475037336	561088407	/nfs/dbraw/zinc/08/84/07/561088407.db2.gz	CTIOOIDSOZXLFB-CQSZACIVSA-N	1	1	370.423	2.133	20	30		FEEDMO
C=CCCC1(C(=O)NC[C@@H]2C[C@H](F)CN2c2cc[nH+]c(N(C)C)n2)CC1	ZINC000476014929	561109476	/nfs/dbraw/zinc/10/94/76/561109476.db2.gz	XOPVDPQRBWEGHW-GJZGRUSLSA-N	1	1	361.465	2.322	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)CC1	ZINC000528353691	562324388	/nfs/dbraw/zinc/32/43/88/562324388.db2.gz	URMZEDBTFMOMJL-RBUKOAKNSA-N	1	1	353.466	2.090	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)CC1	ZINC000528353691	562324389	/nfs/dbraw/zinc/32/43/89/562324389.db2.gz	URMZEDBTFMOMJL-RBUKOAKNSA-N	1	1	353.466	2.090	20	30		FEEDMO
CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)COc2ccccc2C#N)C1	ZINC000528358240	562324726	/nfs/dbraw/zinc/32/47/26/562324726.db2.gz	KJAORAGAKRYMLY-UHOSZYNNSA-N	1	1	373.497	2.315	20	30		FEEDMO
CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1C[C@@H](O)COc1ccccc1C#N	ZINC000528395352	562326678	/nfs/dbraw/zinc/32/66/78/562326678.db2.gz	NMEILTWQXSWPBU-CEXWTWQISA-N	1	1	359.470	2.019	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C	ZINC000528399346	562326841	/nfs/dbraw/zinc/32/68/41/562326841.db2.gz	VVWVPUYUAXVJRG-IRXDYDNUSA-N	1	1	353.466	2.091	20	30		FEEDMO
O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1	ZINC000528420963	562328383	/nfs/dbraw/zinc/32/83/83/562328383.db2.gz	MWGNADUIHSNMOM-DLBZAZTESA-N	1	1	352.434	2.035	20	30		FEEDMO
C[C@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CC[N@H+](C2CCC2)C1	ZINC000528513016	562333335	/nfs/dbraw/zinc/33/33/35/562333335.db2.gz	PZMMKZKEFQBANT-KRWDZBQOSA-N	1	1	365.477	2.092	20	30		FEEDMO
CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCN(CC#N)CC1	ZINC000528620837	562338702	/nfs/dbraw/zinc/33/87/02/562338702.db2.gz	QNBXSRIFDUYHGY-WOJBJXKFSA-N	1	1	354.498	2.202	20	30		FEEDMO
COCc1ccc(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1C#N	ZINC000529212076	562364987	/nfs/dbraw/zinc/36/49/87/562364987.db2.gz	MXDDYIHGNFSACV-RBUKOAKNSA-N	1	1	372.469	2.470	20	30		FEEDMO
CC(C)[C@@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC[N@H+]1Cc1ccccc1	ZINC000529806191	562386145	/nfs/dbraw/zinc/38/61/45/562386145.db2.gz	ZPFQLSDEQKDNCR-AEFFLSMTSA-N	1	1	366.469	2.080	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CC[N@H+]1C1CCCC1	ZINC000530026629	562395044	/nfs/dbraw/zinc/39/50/44/562395044.db2.gz	MMHQIQMPCRNAQG-MRXNPFEDSA-N	1	1	356.470	2.341	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@H]2C)c1C#N	ZINC000530361211	562408235	/nfs/dbraw/zinc/40/82/35/562408235.db2.gz	CBLRFWSQZFVNNM-CJNGLKHVSA-N	1	1	370.453	2.402	20	30		FEEDMO
N#Cc1cccc(CC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)c1	ZINC000531384188	562444145	/nfs/dbraw/zinc/44/41/45/562444145.db2.gz	KQHLRTFTQZJPRI-UHFFFAOYSA-N	1	1	369.387	2.214	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3(C#N)CC(C)C3)C2)cc(OC)c1	ZINC000531821721	562457860	/nfs/dbraw/zinc/45/78/60/562457860.db2.gz	GJBAUPVOQKOHEI-CZDRUDQFSA-N	1	1	357.454	2.334	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3(C#N)CC(C)C3)C2)cc(OC)c1	ZINC000531821721	562457861	/nfs/dbraw/zinc/45/78/61/562457861.db2.gz	GJBAUPVOQKOHEI-CZDRUDQFSA-N	1	1	357.454	2.334	20	30		FEEDMO
C=CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1	ZINC000533424484	562508275	/nfs/dbraw/zinc/50/82/75/562508275.db2.gz	VOVNVMDKOPZBFP-ZDUSSCGKSA-N	1	1	374.437	2.485	20	30		FEEDMO
C[C@@H]1C[NH+](CCOC2CCN(C(=O)C3(C#N)CCCC3)CC2)C[C@@H](C)O1	ZINC000536919850	562582804	/nfs/dbraw/zinc/58/28/04/562582804.db2.gz	FLBPALUEGKTPRB-IAGOWNOFSA-N	1	1	363.502	2.187	20	30		FEEDMO
CCOC(=O)c1sc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)nc1C	ZINC000541689887	562617826	/nfs/dbraw/zinc/61/78/26/562617826.db2.gz	YXYZXOCOAJUTHQ-GFCCVEGCSA-N	1	1	352.460	2.041	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C	ZINC000549956041	562641510	/nfs/dbraw/zinc/64/15/10/562641510.db2.gz	IAKJJHFDYSMDPH-HNNXBMFYSA-N	1	1	361.467	2.275	20	30		FEEDMO
CN(c1nnc([C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1CC1CC1)[C@H]1CCC[C@H]1C#N	ZINC000601905926	567871427	/nfs/dbraw/zinc/87/14/27/567871427.db2.gz	WTUCMHJZNHAUIK-MHORFTMASA-N	1	1	370.501	2.352	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)N1CCN(CCC#N)CC1)c1ccccc1Cl	ZINC000602229827	567957679	/nfs/dbraw/zinc/95/76/79/567957679.db2.gz	MAGBTLQSKBKPMJ-KRWDZBQOSA-N	1	1	363.893	2.184	20	30		FEEDMO
Cn1cc(C2=CCC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)cn1	ZINC000602885145	568005387	/nfs/dbraw/zinc/00/53/87/568005387.db2.gz	CDJMTTMDZJOHCY-LJQANCHMSA-N	1	1	352.438	2.015	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1	ZINC000602926008	568018647	/nfs/dbraw/zinc/01/86/47/568018647.db2.gz	MWGMTFCZFPSVTP-ZBFHGGJFSA-N	1	1	357.376	2.383	20	30		FEEDMO
Cn1cc([C@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC2(C)C)cn1	ZINC000568468360	568041479	/nfs/dbraw/zinc/04/14/79/568041479.db2.gz	VYEUQALHOKRWCE-IEBWSBKVSA-N	1	1	354.454	2.157	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000604541744	568309732	/nfs/dbraw/zinc/30/97/32/568309732.db2.gz	IQEARUQTZRPWLH-MOPGFXCFSA-N	1	1	358.461	2.409	20	30		FEEDMO
CC(C)[C@H](C#N)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000609484822	568344984	/nfs/dbraw/zinc/34/49/84/568344984.db2.gz	FYGXSVLLMFDMSM-KRWDZBQOSA-N	1	1	359.430	2.089	20	30		FEEDMO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NCC[N@H+](C)[C@@H](C)CC	ZINC000735420938	598430429	/nfs/dbraw/zinc/43/04/29/598430429.db2.gz	VTVYEBHJKAXBMH-HNNXBMFYSA-N	1	1	371.489	2.295	20	30		FEEDMO
CC(C)(C)C[N@@H+](CCC#N)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1	ZINC000819914085	599638167	/nfs/dbraw/zinc/63/81/67/599638167.db2.gz	KPUIPZIECZYDAH-UHFFFAOYSA-N	1	1	355.446	2.457	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N(C)CCOCc1ccc(C#N)cc1	ZINC000809164555	674485948	/nfs/dbraw/zinc/48/59/48/674485948.db2.gz	XSOPSNLRYXIIHR-GOSISDBHSA-N	1	1	360.527	2.365	20	30		FEEDMO
C#C[C@H]([NH2+]Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C(C)(C)C	ZINC000809782731	674509636	/nfs/dbraw/zinc/50/96/36/674509636.db2.gz	FTSWHBKPSFBGHO-JSGCOSHPSA-N	1	1	357.907	2.342	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1	ZINC000558681180	674510167	/nfs/dbraw/zinc/51/01/67/674510167.db2.gz	HRXOAASFEDJVHY-AWEZNQCLSA-N	1	1	351.447	2.050	20	30		FEEDMO
C[C@@H]1CN(Cc2ccccc2C#N)CC[N@H+]1Cc1ccccc1-c1nn[nH]n1	ZINC000822000344	606178338	/nfs/dbraw/zinc/17/83/38/606178338.db2.gz	IZIQPJPJEIXLML-MRXNPFEDSA-N	1	1	373.464	2.445	20	30		FEEDMO
C[C@@H]1CN(Cc2cccc(C#N)c2)CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1	ZINC000822000720	606178510	/nfs/dbraw/zinc/17/85/10/606178510.db2.gz	VBXOTVWFUNJBRK-MRXNPFEDSA-N	1	1	373.464	2.445	20	30		FEEDMO
C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H](O)c1ccc(C#N)cc1	ZINC000819745406	606888548	/nfs/dbraw/zinc/88/85/48/606888548.db2.gz	BJNAZPCTWHOSNZ-IBGZPJMESA-N	1	1	360.421	2.460	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCC(=O)Nc2sccc2C#N)C1	ZINC000811449748	674604833	/nfs/dbraw/zinc/60/48/33/674604833.db2.gz	UVNXPBYYBWKCGP-MRXNPFEDSA-N	1	1	353.419	2.314	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1ccc(F)cc1	ZINC000561547263	674677987	/nfs/dbraw/zinc/67/79/87/674677987.db2.gz	MHVDLFZHXVZIJB-INIZCTEOSA-N	1	1	365.405	2.418	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(F)cc1	ZINC000561548120	674678391	/nfs/dbraw/zinc/67/83/91/674678391.db2.gz	QSOZPIUJJCNKDA-QGZVFWFLSA-N	1	1	365.405	2.418	20	30		FEEDMO
N#C[C@@H]1CC[C@H](Nc2nc(N[C@@H]3CC[C@H](C#N)C3)c3c([nH+]2)CCS3)C1	ZINC000563019583	674835646	/nfs/dbraw/zinc/83/56/46/674835646.db2.gz	IMQVTFCLJPLYJJ-DGAVXFQQSA-N	1	1	354.483	2.177	20	30		FEEDMO
C#CCNC(=O)CC[N@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000815062227	674909390	/nfs/dbraw/zinc/90/93/90/674909390.db2.gz	QCTWQZHQQFRJQJ-UHFFFAOYSA-N	1	1	351.491	2.237	20	30		FEEDMO
C=CCOc1cccc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1	ZINC000564312569	674993867	/nfs/dbraw/zinc/99/38/67/674993867.db2.gz	OPACVHGZCQZJTG-QGZVFWFLSA-N	1	1	352.500	2.355	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CCN1c1nc(C#N)c(Cl)s1	ZINC001048586730	675011347	/nfs/dbraw/zinc/01/13/47/675011347.db2.gz	BAPKTWRZYQGLCT-UHTWSYAYSA-N	1	1	367.906	2.236	20	30		FEEDMO
C=C(Br)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C[C@H]2C1	ZINC001048950403	675019697	/nfs/dbraw/zinc/01/96/97/675019697.db2.gz	DCVPHBSAILDTNJ-QXSJWSMHSA-N	1	1	369.303	2.100	20	30		FEEDMO
C=C(Br)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C[C@H]2C1	ZINC001048950403	675019700	/nfs/dbraw/zinc/01/97/00/675019700.db2.gz	DCVPHBSAILDTNJ-QXSJWSMHSA-N	1	1	369.303	2.100	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1c1snc(C)c1C#N	ZINC001049082091	675022634	/nfs/dbraw/zinc/02/26/34/675022634.db2.gz	MRLAWTJDOHRLEP-ARFHVFGLSA-N	1	1	361.515	2.281	20	30		FEEDMO
CCCOc1ncccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000564845857	675067300	/nfs/dbraw/zinc/06/73/00/675067300.db2.gz	FAHXMCPPMKLQDO-UHFFFAOYSA-N	1	1	359.451	2.306	20	30		FEEDMO
C[C@H]1CC[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1	ZINC000570739126	670761965	/nfs/dbraw/zinc/76/19/65/670761965.db2.gz	QWCYZKBDYGTJES-YJBOKZPZSA-N	1	1	360.889	2.391	20	30		FEEDMO
COc1ccc(Cl)cc1NC(=O)CON=C(N)C[N@H+]1CCCC[C@@H]1C	ZINC000111179243	670855700	/nfs/dbraw/zinc/85/57/00/670855700.db2.gz	GCLKZUHPNCGDDK-LBPRGKRZSA-N	1	1	368.865	2.450	20	30		FEEDMO
C[N@H+]1CCN(C(=O)COc2cccc(Br)c2C#N)CC1(C)C	ZINC000578024809	671635919	/nfs/dbraw/zinc/63/59/19/671635919.db2.gz	FUMXNYNAIUDRHN-UHFFFAOYSA-N	1	1	366.259	2.252	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)CC[N@H+]1C	ZINC000578460578	671667103	/nfs/dbraw/zinc/66/71/03/671667103.db2.gz	SKXGGJLOCKDQNY-QWRGUYRKSA-N	1	1	372.288	2.082	20	30		FEEDMO
CCc1ccc([C@@H](CNS(=O)(=O)c2cncc(C#N)c2)[NH+](C)C)cc1	ZINC000578805276	671690492	/nfs/dbraw/zinc/69/04/92/671690492.db2.gz	GCZQRKVKDMJYOF-GOSISDBHSA-N	1	1	358.467	2.097	20	30		FEEDMO
C#CCCOc1ccc(C[N@@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000120162165	671918788	/nfs/dbraw/zinc/91/87/88/671918788.db2.gz	GFXJOEDXXQNAFX-GOSISDBHSA-N	1	1	365.495	2.114	20	30		FEEDMO
C#CCCOc1ccc(C[N@H+](CCCOC)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000120162165	671918790	/nfs/dbraw/zinc/91/87/90/671918790.db2.gz	GFXJOEDXXQNAFX-GOSISDBHSA-N	1	1	365.495	2.114	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)OC(C)(C)C	ZINC000125198327	672008070	/nfs/dbraw/zinc/00/80/70/672008070.db2.gz	VEXCHHGRZIBKND-RDTXWAMCSA-N	1	1	354.495	2.276	20	30		FEEDMO
Cc1ncsc1-c1nc(CON=C(N)C[N@H+]2CCCC[C@H]2C)no1	ZINC000131509035	672089262	/nfs/dbraw/zinc/08/92/62/672089262.db2.gz	MTAGEINGEXSVBY-SNVBAGLBSA-N	1	1	350.448	2.165	20	30		FEEDMO
Cc1ncsc1-c1nc(CON=C(N)C[N@@H+]2CCCC[C@H]2C)no1	ZINC000131509035	672089264	/nfs/dbraw/zinc/08/92/64/672089264.db2.gz	MTAGEINGEXSVBY-SNVBAGLBSA-N	1	1	350.448	2.165	20	30		FEEDMO
N#Cc1cncc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1	ZINC000583662664	672115146	/nfs/dbraw/zinc/11/51/46/672115146.db2.gz	ORLOOSORGVCVAH-QGZVFWFLSA-N	1	1	362.499	2.276	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000170652799	672323325	/nfs/dbraw/zinc/32/33/25/672323325.db2.gz	NSXJKUUYCDFIEL-GJZGRUSLSA-N	1	1	352.479	2.078	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1	ZINC000170652799	672323328	/nfs/dbraw/zinc/32/33/28/672323328.db2.gz	NSXJKUUYCDFIEL-GJZGRUSLSA-N	1	1	352.479	2.078	20	30		FEEDMO
CCN(CC)C(=[NH2+])NCc1nc(-c2ccc(Br)cc2)n[nH]1	ZINC000170914675	672327011	/nfs/dbraw/zinc/32/70/11/672327011.db2.gz	OQYDWGUGHBRLGG-UHFFFAOYSA-N	1	1	351.252	2.391	20	30		FEEDMO
CCN(CC)C(=[NH2+])NCc1n[nH]c(-c2ccc(Br)cc2)n1	ZINC000170914675	672327013	/nfs/dbraw/zinc/32/70/13/672327013.db2.gz	OQYDWGUGHBRLGG-UHFFFAOYSA-N	1	1	351.252	2.391	20	30		FEEDMO
C=CCn1nnn(CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1=S	ZINC000184952169	672513478	/nfs/dbraw/zinc/51/34/78/672513478.db2.gz	KVOCXEYFEOINTC-ZDUSSCGKSA-N	1	1	350.517	2.393	20	30		FEEDMO
COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000611320350	676032044	/nfs/dbraw/zinc/03/20/44/676032044.db2.gz	HABZGKHUZSHOEM-KHYOSLBOSA-N	1	1	351.491	2.341	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1C#N)c1ccsc1	ZINC000590589212	672593426	/nfs/dbraw/zinc/59/34/26/672593426.db2.gz	VCAFNJCVGJWSOT-INIZCTEOSA-N	1	1	367.471	2.481	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)F)C2)CC1	ZINC000611432664	676036814	/nfs/dbraw/zinc/03/68/14/676036814.db2.gz	JRSHRXLJMNDPQL-ZIAGYGMSSA-N	1	1	368.453	2.044	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)F)C2)CC1	ZINC000611432663	676036881	/nfs/dbraw/zinc/03/68/81/676036881.db2.gz	JRSHRXLJMNDPQL-UONOGXRCSA-N	1	1	368.453	2.044	20	30		FEEDMO
CC[C@H]1CN(c2ncc(Br)cc2C#N)C[C@@H]1[NH+]1CCOCC1	ZINC000590694773	672602976	/nfs/dbraw/zinc/60/29/76/672602976.db2.gz	SWYJTDCRGXRSNB-WFASDCNBSA-N	1	1	365.275	2.263	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c(C#N)c1C	ZINC000590749480	672609799	/nfs/dbraw/zinc/60/97/99/672609799.db2.gz	SVMQVAHZZMDKER-SQWLQELKSA-N	1	1	363.483	2.037	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c(C#N)c1C	ZINC000590749480	672609801	/nfs/dbraw/zinc/60/98/01/672609801.db2.gz	SVMQVAHZZMDKER-SQWLQELKSA-N	1	1	363.483	2.037	20	30		FEEDMO
CSc1ccc(OC[C@@H](O)C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1	ZINC000591020219	672642338	/nfs/dbraw/zinc/64/23/38/672642338.db2.gz	UVBYLGULBNRAEG-LPHOPBHVSA-N	1	1	363.527	2.314	20	30		FEEDMO
CN1C(=O)NCC12CC[NH+](Cc1ccc(C#N)cc1Br)CC2	ZINC000591855677	672716767	/nfs/dbraw/zinc/71/67/67/672716767.db2.gz	WNTJSWPSXAQLHW-UHFFFAOYSA-N	1	1	363.259	2.310	20	30		FEEDMO
C[N@@H+]1C[C@@H](c2ccccc2)[C@H](CNS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000592089451	672752711	/nfs/dbraw/zinc/75/27/11/672752711.db2.gz	UMOYWNFFZKWZTC-MJGOQNOKSA-N	1	1	355.463	2.182	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1	ZINC000592157423	672765508	/nfs/dbraw/zinc/76/55/08/672765508.db2.gz	XOLGTVWJURSKPA-OAHLLOKOSA-N	1	1	351.491	2.438	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cc(Br)cnc2Cl)CC1	ZINC000227449438	672795681	/nfs/dbraw/zinc/79/56/81/672795681.db2.gz	GISNKXFVWYRVTA-UHFFFAOYSA-N	1	1	357.639	2.215	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH2+]C1(c2ccccc2Br)CCC1	ZINC000593040784	672866942	/nfs/dbraw/zinc/86/69/42/672866942.db2.gz	UZNZHFQQLVPFJY-UHFFFAOYSA-N	1	1	366.259	2.430	20	30		FEEDMO
COCC[N@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)C(C)(C)C1	ZINC000593102367	672876724	/nfs/dbraw/zinc/87/67/24/672876724.db2.gz	ZUTSWECWNQZVGV-UHFFFAOYSA-N	1	1	364.877	2.193	20	30		FEEDMO
C[NH+]=C(NCC(C)(C)N1CCC(OC)CC1)N1CCSC(C)(C)C1	ZINC000262022013	672908025	/nfs/dbraw/zinc/90/80/25/672908025.db2.gz	WGJSZETXTUCIQV-UHFFFAOYSA-N	1	1	356.580	2.279	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cc1ccc(Br)cc1C#N	ZINC000593572960	672947284	/nfs/dbraw/zinc/94/72/84/672947284.db2.gz	QZELZPHDPLQFNW-VXGBXAGGSA-N	1	1	350.260	2.414	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccsc1C#N	ZINC000593577392	672949211	/nfs/dbraw/zinc/94/92/11/672949211.db2.gz	JQJDJARKCQAYEC-HIFRSBDPSA-N	1	1	361.492	2.419	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccsc1C#N	ZINC000593577392	672949213	/nfs/dbraw/zinc/94/92/13/672949213.db2.gz	JQJDJARKCQAYEC-HIFRSBDPSA-N	1	1	361.492	2.419	20	30		FEEDMO
Cc1cc(CNS(=O)(=O)c2ccsc2C#N)cc(N2CCCC2)[nH+]1	ZINC000593595805	672953919	/nfs/dbraw/zinc/95/39/19/672953919.db2.gz	KCWCGDSUWSWWGX-UHFFFAOYSA-N	1	1	362.480	2.402	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000289086995	672988195	/nfs/dbraw/zinc/98/81/95/672988195.db2.gz	GKVKQXTWOJXTTD-CJNGLKHVSA-N	1	1	358.866	2.415	20	30		FEEDMO
C#CCCS(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000289086995	672988198	/nfs/dbraw/zinc/98/81/98/672988198.db2.gz	GKVKQXTWOJXTTD-CJNGLKHVSA-N	1	1	358.866	2.415	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)[N@H+](C)C1	ZINC000329012995	673071185	/nfs/dbraw/zinc/07/11/85/673071185.db2.gz	IXBONTOWKHQAIO-WHOFXGATSA-N	1	1	351.834	2.121	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)[N@@H+](C)C1	ZINC000329012995	673071189	/nfs/dbraw/zinc/07/11/89/673071189.db2.gz	IXBONTOWKHQAIO-WHOFXGATSA-N	1	1	351.834	2.121	20	30		FEEDMO
Cc1nc([C@H](C)NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cs1	ZINC000329395893	673076593	/nfs/dbraw/zinc/07/65/93/673076593.db2.gz	UFJFSKSNHWYSLZ-ZDUSSCGKSA-N	1	1	353.536	2.384	20	30		FEEDMO
Cc1nc([C@H](C)NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cs1	ZINC000329395893	673076599	/nfs/dbraw/zinc/07/65/99/673076599.db2.gz	UFJFSKSNHWYSLZ-ZDUSSCGKSA-N	1	1	353.536	2.384	20	30		FEEDMO
CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C	ZINC000329751288	673083081	/nfs/dbraw/zinc/08/30/81/673083081.db2.gz	ITJRMBRGTYLVRY-YVSFHVDLSA-N	1	1	350.507	2.106	20	30		FEEDMO
Cn1ncc(C2CCC2)c1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1	ZINC000594733291	673125760	/nfs/dbraw/zinc/12/57/60/673125760.db2.gz	UOLUYLWAXOXVCD-UHFFFAOYSA-N	1	1	358.467	2.123	20	30		FEEDMO
CCC(CC)[C@@H](CNC(=O)N1CCC[C@H](CC#N)C1)[NH+]1CCOCC1	ZINC000595447371	673252211	/nfs/dbraw/zinc/25/22/11/673252211.db2.gz	UXXQFWRPRYPQIB-SJLPKXTDSA-N	1	1	350.507	2.459	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](N2CCOCC2)CC1	ZINC000595469321	673254895	/nfs/dbraw/zinc/25/48/95/673254895.db2.gz	FLLHZERJNGSYFD-MRXNPFEDSA-N	1	1	362.499	2.135	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)nc1	ZINC000595787471	673325424	/nfs/dbraw/zinc/32/54/24/673325424.db2.gz	JDJLHWYKMCKKMY-IAGOWNOFSA-N	1	1	363.483	2.008	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)nc1	ZINC000595787471	673325425	/nfs/dbraw/zinc/32/54/25/673325425.db2.gz	JDJLHWYKMCKKMY-IAGOWNOFSA-N	1	1	363.483	2.008	20	30		FEEDMO
C=CC[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1)C1CC1	ZINC000536743339	673379536	/nfs/dbraw/zinc/37/95/36/673379536.db2.gz	ZJGVTHPWAGOMBO-UHFFFAOYSA-N	1	1	365.499	2.306	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1)C1CC1	ZINC000536743339	673379539	/nfs/dbraw/zinc/37/95/39/673379539.db2.gz	ZJGVTHPWAGOMBO-UHFFFAOYSA-N	1	1	365.499	2.306	20	30		FEEDMO
CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3SCC#N)C2)CC1	ZINC000732782323	673381971	/nfs/dbraw/zinc/38/19/71/673381971.db2.gz	XEJNLYYLSWFUJR-OAHLLOKOSA-N	1	1	358.511	2.201	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3SCC#N)C2)CC1	ZINC000732782323	673381975	/nfs/dbraw/zinc/38/19/75/673381975.db2.gz	XEJNLYYLSWFUJR-OAHLLOKOSA-N	1	1	358.511	2.201	20	30		FEEDMO
CC[C@H](C#N)Oc1cccc(CNC(=O)NCC[NH+]2CCSCC2)c1	ZINC000733848796	673440162	/nfs/dbraw/zinc/44/01/62/673440162.db2.gz	TUDBMZXUNIBOMP-MRXNPFEDSA-N	1	1	362.499	2.216	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cccn3cc(C(F)(F)F)nc23)CC1	ZINC000597167227	673452868	/nfs/dbraw/zinc/45/28/68/673452868.db2.gz	VJEKMDVGXKYVEA-UHFFFAOYSA-N	1	1	351.332	2.071	20	30		FEEDMO
CC[C@H](C)CN(C)c1ccc(F)cc1C=[NH+]N[C@H]1CCS(=O)(=O)C1	ZINC000734742574	673471721	/nfs/dbraw/zinc/47/17/21/673471721.db2.gz	AWSJACXCSXEIGB-BBRMVZONSA-N	1	1	355.479	2.419	20	30		FEEDMO
COCCCOCC[N@@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000540245480	673531267	/nfs/dbraw/zinc/53/12/67/673531267.db2.gz	VNVYXPOOXPHZDZ-TVRKMHQQSA-N	1	1	353.507	2.291	20	30		FEEDMO
N#Cc1cccc(NC(=O)C2CC[NH+](CN3CCSC3=S)CC2)c1	ZINC000738120027	673602726	/nfs/dbraw/zinc/60/27/26/673602726.db2.gz	JMARKJRZSULOOU-UHFFFAOYSA-N	1	1	360.508	2.500	20	30		FEEDMO
CCC[C@]1(C(=O)OCC)CCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1	ZINC000599386714	673667488	/nfs/dbraw/zinc/66/74/88/673667488.db2.gz	WNYUPPKXNODASW-VQIMIIECSA-N	1	1	352.475	2.256	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)C1CC1	ZINC000543808985	673671692	/nfs/dbraw/zinc/67/16/92/673671692.db2.gz	CXBOPYRFNCIYRD-GDBMZVCRSA-N	1	1	355.360	2.137	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1C[C@@H](C(N)=O)C1	ZINC000599645721	673701650	/nfs/dbraw/zinc/70/16/50/673701650.db2.gz	UQSQXCFHJOTVRP-TXEJJXNPSA-N	1	1	360.483	2.023	20	30		FEEDMO
COC[C@@]1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CCO1	ZINC000599691441	673706975	/nfs/dbraw/zinc/70/69/75/673706975.db2.gz	BWCKPCBWUXXRDG-QGZVFWFLSA-N	1	1	351.834	2.278	20	30		FEEDMO
N#CC1(CS(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCCC1	ZINC000544747347	673730395	/nfs/dbraw/zinc/73/03/95/673730395.db2.gz	HDHWNGHFIUBCJH-UHFFFAOYSA-N	1	1	362.499	2.049	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)CC1	ZINC000744371399	673794339	/nfs/dbraw/zinc/79/43/39/673794339.db2.gz	YISIGFWSRUEFAY-UHFFFAOYSA-N	1	1	358.442	2.081	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1	ZINC000744366580	673794544	/nfs/dbraw/zinc/79/45/44/673794544.db2.gz	USDPNOSEHPUJDH-UHFFFAOYSA-N	1	1	359.857	2.248	20	30		FEEDMO
Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2	ZINC000601421384	673859625	/nfs/dbraw/zinc/85/96/25/673859625.db2.gz	FRVYBTDLHDFPSY-KRWDZBQOSA-N	1	1	351.447	2.112	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1c1cc(C#N)c(Br)cn1	ZINC000603364850	673926822	/nfs/dbraw/zinc/92/68/22/673926822.db2.gz	DRJAJPBDKBEBSE-LBPRGKRZSA-N	1	1	365.275	2.405	20	30		FEEDMO
C=CCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2ccsc2)CC1	ZINC000548839025	674000237	/nfs/dbraw/zinc/00/02/37/674000237.db2.gz	IONASGWDLJUQAP-MRXNPFEDSA-N	1	1	359.499	2.352	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1cc(Br)cc(N(C)C)c1	ZINC000818593072	675226840	/nfs/dbraw/zinc/22/68/40/675226840.db2.gz	KJSHAZXDSCIHPN-UHFFFAOYSA-N	1	1	352.276	2.200	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C1(c2ccc(F)cc2F)CCOCC1	ZINC000818611960	675228515	/nfs/dbraw/zinc/22/85/15/675228515.db2.gz	JGQZPZNJBWZBIP-UHFFFAOYSA-N	1	1	350.409	2.084	20	30		FEEDMO
Cc1ccc2c(c1C)OC[C@@H]2[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000567678941	675311555	/nfs/dbraw/zinc/31/15/55/675311555.db2.gz	FNVQDUDBPZPFAJ-INIZCTEOSA-N	1	1	357.435	2.067	20	30		FEEDMO
C#C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)c1ccc(Cl)cc1F	ZINC000820749611	675385028	/nfs/dbraw/zinc/38/50/28/675385028.db2.gz	DDLQDANDFXDTGJ-AHIWAGSCSA-N	1	1	367.852	2.250	20	30		FEEDMO
C#CCO[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000827095712	675728898	/nfs/dbraw/zinc/72/88/98/675728898.db2.gz	LENJSUNHFBOYHZ-CZUORRHYSA-N	1	1	350.846	2.165	20	30		FEEDMO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H](C)S(C)(=O)=O	ZINC000828868155	675849777	/nfs/dbraw/zinc/84/97/77/675849777.db2.gz	JXRKRZMLESNEOC-AWEZNQCLSA-N	1	1	372.560	2.018	20	30		FEEDMO
C=CCOCCCC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1	ZINC000608134278	675885684	/nfs/dbraw/zinc/88/56/84/675885684.db2.gz	RLYVWIBQVFGDJO-INIZCTEOSA-N	1	1	351.516	2.136	20	30		FEEDMO
N#C[C@@]1(F)CCN(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1	ZINC000617529111	676290913	/nfs/dbraw/zinc/29/09/13/676290913.db2.gz	WKAHVWGRPCHSIQ-AEFFLSMTSA-N	1	1	362.474	2.251	20	30		FEEDMO
N#C[C@@]1(F)CCN(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1	ZINC000617529111	676290914	/nfs/dbraw/zinc/29/09/14/676290914.db2.gz	WKAHVWGRPCHSIQ-AEFFLSMTSA-N	1	1	362.474	2.251	20	30		FEEDMO
C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCC[C@](C)(C#N)C2)ccc1Cl	ZINC000619645843	676389141	/nfs/dbraw/zinc/38/91/41/676389141.db2.gz	TUYBIVPLUZOBNF-GOSISDBHSA-N	1	1	362.861	2.492	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@](F)(CO)C3)sc2C1	ZINC000619815817	676396055	/nfs/dbraw/zinc/39/60/55/676396055.db2.gz	JOBSADBUUQDNDR-KPZWWZAWSA-N	1	1	365.474	2.479	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@](F)(CO)C3)sc2C1	ZINC000619815817	676396057	/nfs/dbraw/zinc/39/60/57/676396057.db2.gz	JOBSADBUUQDNDR-KPZWWZAWSA-N	1	1	365.474	2.479	20	30		FEEDMO
C#CC[NH+]1CCC(NC(=O)c2ccccc2[S@](=O)C(F)(F)F)CC1	ZINC000830162603	677028372	/nfs/dbraw/zinc/02/83/72/677028372.db2.gz	MEQWSPNOQRIWQJ-DEOSSOPVSA-N	1	1	358.385	2.141	20	30		FEEDMO
C=CCN(CC1CCCCC1)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O	ZINC000637376444	677127298	/nfs/dbraw/zinc/12/72/98/677127298.db2.gz	HUHMVXDCTDOKJX-KRWDZBQOSA-N	1	1	350.507	2.104	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C2)C1=O	ZINC000839090419	680737241	/nfs/dbraw/zinc/73/72/41/680737241.db2.gz	JZJZMJWNXJOHCU-PMPSAXMXSA-N	1	1	351.491	2.256	20	30		FEEDMO
C=CCOCCCNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000661065299	678428865	/nfs/dbraw/zinc/42/88/65/678428865.db2.gz	GKDNDGWWEFXMLR-SFHVURJKSA-N	1	1	363.527	2.496	20	30		FEEDMO
C=CCOCCCNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000661065299	678428868	/nfs/dbraw/zinc/42/88/68/678428868.db2.gz	GKDNDGWWEFXMLR-SFHVURJKSA-N	1	1	363.527	2.496	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@](CO)(OC)C1	ZINC000661392680	678475518	/nfs/dbraw/zinc/47/55/18/678475518.db2.gz	XLHJTXUMZONNAL-MAUKXSAKSA-N	1	1	352.500	2.125	20	30		FEEDMO
C=CC[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C(C)(C)C	ZINC000661756211	678530628	/nfs/dbraw/zinc/53/06/28/678530628.db2.gz	FRJXAXGCOUKTLK-UHFFFAOYSA-N	1	1	353.488	2.162	20	30		FEEDMO
C=CCn1c(-c2cc[nH]n2)nnc1N1CC[NH+](Cc2ccsc2)CC1	ZINC000669030538	679215876	/nfs/dbraw/zinc/21/58/76/679215876.db2.gz	MRVSIAMSVXZMHT-UHFFFAOYSA-N	1	1	355.471	2.238	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(CC#Cc3ccccc3Cl)C2)CC[N@H+]1C	ZINC001014475994	680038375	/nfs/dbraw/zinc/03/83/75/680038375.db2.gz	MZZSJVOJIVJTOY-KBAYOESNSA-N	1	1	359.901	2.222	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nnc(C(C)C)s2)C1	ZINC001020169147	680102047	/nfs/dbraw/zinc/10/20/47/680102047.db2.gz	OSECZCOFFNOOAB-TUVASFSCSA-N	1	1	364.515	2.380	20	30		FEEDMO
COC(=O)C1(C#N)CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1	ZINC000834201816	680206228	/nfs/dbraw/zinc/20/62/28/680206228.db2.gz	POXGEGIIDBNUHT-OAHLLOKOSA-N	1	1	363.845	2.248	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1	ZINC001022721361	680232053	/nfs/dbraw/zinc/23/20/53/680232053.db2.gz	QIHCXXWYAPDBHR-CWRNSKLLSA-N	1	1	367.921	2.166	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(=C)Br)C1	ZINC001023599153	680264662	/nfs/dbraw/zinc/26/46/62/680264662.db2.gz	BMMHVDJXOXEAKR-KFWWJZLASA-N	1	1	357.292	2.314	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=C)Br)C1	ZINC001023599153	680264667	/nfs/dbraw/zinc/26/46/67/680264667.db2.gz	BMMHVDJXOXEAKR-KFWWJZLASA-N	1	1	357.292	2.314	20	30		FEEDMO
C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001027463063	680358457	/nfs/dbraw/zinc/35/84/57/680358457.db2.gz	QPPLTMUAAQXLNG-UPJWGTAASA-N	1	1	370.799	2.008	20	30		FEEDMO
C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001027463063	680358459	/nfs/dbraw/zinc/35/84/59/680358459.db2.gz	QPPLTMUAAQXLNG-UPJWGTAASA-N	1	1	370.799	2.008	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCOCC2)C1	ZINC001027585862	680360188	/nfs/dbraw/zinc/36/01/88/680360188.db2.gz	RJAAFTXHKINFLT-QRVBRYPASA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCn2cc(Cl)cn2)C1	ZINC001027586286	680360745	/nfs/dbraw/zinc/36/07/45/680360745.db2.gz	ZESGREVWULHXSY-BBWFWOEESA-N	1	1	366.893	2.050	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2scnc2C)C1	ZINC001028860577	680385906	/nfs/dbraw/zinc/38/59/06/680385906.db2.gz	AIBMZBDISHSREI-BQFCYCMXSA-N	1	1	363.527	2.413	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]Cc2cnsn2)CC1	ZINC001029101637	680386248	/nfs/dbraw/zinc/38/62/48/680386248.db2.gz	LJMOKYAUYNKRHO-XKQJLSEDSA-N	1	1	364.515	2.236	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccns1	ZINC001029311781	680388291	/nfs/dbraw/zinc/38/82/91/680388291.db2.gz	DLWLHWILUYTOPG-ATLSCFEFSA-N	1	1	361.511	2.342	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccns1	ZINC001029311781	680388295	/nfs/dbraw/zinc/38/82/95/680388295.db2.gz	DLWLHWILUYTOPG-ATLSCFEFSA-N	1	1	361.511	2.342	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](CC)OC	ZINC001029508650	680389873	/nfs/dbraw/zinc/38/98/73/680389873.db2.gz	NKDAMKUGQRMDRY-LFDJNIOPSA-N	1	1	350.503	2.458	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCOCC2)C1	ZINC001033086979	680416542	/nfs/dbraw/zinc/41/65/42/680416542.db2.gz	NOHVIFWOLCMUAQ-QRVBRYPASA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnc(CC)s2)C1	ZINC001000425383	680431398	/nfs/dbraw/zinc/43/13/98/680431398.db2.gz	GDDFZJPMRSGKCG-KEYYUXOJSA-N	1	1	364.515	2.162	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCc1ccccc1Br	ZINC000836263599	680442561	/nfs/dbraw/zinc/44/25/61/680442561.db2.gz	ZWXTWOTZJVMQKK-UHFFFAOYSA-N	1	1	352.276	2.246	20	30		FEEDMO
C=C(Br)CN(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1	ZINC000985441408	680448498	/nfs/dbraw/zinc/44/84/98/680448498.db2.gz	GMHQZQMNTPIDSP-UKRRQHHQSA-N	1	1	358.324	2.158	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCc2cccs2)CCO1	ZINC001035542445	680450514	/nfs/dbraw/zinc/45/05/14/680450514.db2.gz	PCLSXSMHDJRRCX-SZMVWBNQSA-N	1	1	364.511	2.089	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCc2cccs2)CCO1	ZINC001035542445	680450518	/nfs/dbraw/zinc/45/05/18/680450518.db2.gz	PCLSXSMHDJRRCX-SZMVWBNQSA-N	1	1	364.511	2.089	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)C1	ZINC001039131823	680462162	/nfs/dbraw/zinc/46/21/62/680462162.db2.gz	WTVYSVPKUCONCN-KBRIMQKVSA-N	1	1	367.921	2.214	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([N@@H+](C)C[C@H]2CCCCO2)CC1	ZINC000985695146	680471310	/nfs/dbraw/zinc/47/13/10/680471310.db2.gz	SCLNMPBQGZZZHH-QYZOEREBSA-N	1	1	350.503	2.460	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N1CCN(Cc2ccc(CC)s2)CC1	ZINC000836488801	680476168	/nfs/dbraw/zinc/47/61/68/680476168.db2.gz	OFIJCQYFWBDBAT-UHFFFAOYSA-N	1	1	362.543	2.093	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCCNC(=O)c1ccc(Cl)cc1	ZINC000756541689	680484035	/nfs/dbraw/zinc/48/40/35/680484035.db2.gz	DBWGJFPJGKLOHH-QGZVFWFLSA-N	1	1	362.857	2.491	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)CC1(NC(=O)OC(C)(C)C)CCC1	ZINC000756556901	680485090	/nfs/dbraw/zinc/48/50/90/680485090.db2.gz	XOSOAFLDYNZGDQ-OAHLLOKOSA-N	1	1	350.459	2.465	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ncc(C)s3)C2)C1	ZINC001041696845	680508848	/nfs/dbraw/zinc/50/88/48/680508848.db2.gz	XFFYYKUYUKTGIN-JTDSTZFVSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ncc(C)s3)C2)C1	ZINC001041696845	680508851	/nfs/dbraw/zinc/50/88/51/680508851.db2.gz	XFFYYKUYUKTGIN-JTDSTZFVSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3csc(C)n3)C2)C1	ZINC001041698682	680508915	/nfs/dbraw/zinc/50/89/15/680508915.db2.gz	WRMRKNZAMVWVEM-AOIWGVFYSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3csc(C)n3)C2)C1	ZINC001041698682	680508916	/nfs/dbraw/zinc/50/89/16/680508916.db2.gz	WRMRKNZAMVWVEM-AOIWGVFYSA-N	1	1	361.511	2.467	20	30		FEEDMO
O=C(NC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1)[C@]12C[C@H]1COC2	ZINC001002867212	680512717	/nfs/dbraw/zinc/51/27/17/680512717.db2.gz	CYTQNZWZPKTNSH-JXFKEZNVSA-N	1	1	358.869	2.309	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCOC)CC1	ZINC001004437416	680556032	/nfs/dbraw/zinc/55/60/32/680556032.db2.gz	KSDCUDMBQDTWNK-QYZOEREBSA-N	1	1	350.503	2.317	20	30		FEEDMO
Cn1nc(Br)c2c1ncnc2N=NC1CCC[N@@H+](C)CC1	ZINC000758119406	680556510	/nfs/dbraw/zinc/55/65/10/680556510.db2.gz	DOPHJGPWJDZYJQ-UHFFFAOYSA-N	1	1	352.240	2.009	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1Nc1ncc(C#N)cc1Cl	ZINC001043511159	680584852	/nfs/dbraw/zinc/58/48/52/680584852.db2.gz	GIEXHWRZCRDUDL-XJKCOSOUSA-N	1	1	361.877	2.350	20	30		FEEDMO
C#CCSCCNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000758842119	680610794	/nfs/dbraw/zinc/61/07/94/680610794.db2.gz	XGRHHOWDLZNJTG-QGZVFWFLSA-N	1	1	363.552	2.270	20	30		FEEDMO
C#CCSCCNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000758842119	680610795	/nfs/dbraw/zinc/61/07/95/680610795.db2.gz	XGRHHOWDLZNJTG-QGZVFWFLSA-N	1	1	363.552	2.270	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(CC)s1	ZINC001045043556	680619894	/nfs/dbraw/zinc/61/98/94/680619894.db2.gz	KEIVZLSTXOMVLA-ZNMIVQPWSA-N	1	1	364.515	2.162	20	30		FEEDMO
C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC001046956959	680654800	/nfs/dbraw/zinc/65/48/00/680654800.db2.gz	BVLRCGIEEXHWBE-NEXGVSGLSA-N	1	1	354.441	2.449	20	30		FEEDMO
C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCO[C@H]2C(=C)C)C1	ZINC001046979561	680655629	/nfs/dbraw/zinc/65/56/29/680655629.db2.gz	BUAAVOUHMHSWEB-ULQDDVLXSA-N	1	1	354.441	2.454	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](Nc3snc(C)c3C#N)C2)CC[N@H+]1C	ZINC001047062261	680657098	/nfs/dbraw/zinc/65/70/98/680657098.db2.gz	RSIKKDNYEVJEPR-RZLSGREXSA-N	1	1	361.515	2.360	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](Cc3cc(C)ns3)C[C@H]21	ZINC001050144586	681042192	/nfs/dbraw/zinc/04/21/92/681042192.db2.gz	QJLABQGPDPJMBS-HPBDAGMYSA-N	1	1	361.511	2.465	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](Cc3nc(C)cs3)C[C@H]21	ZINC001050144595	681042215	/nfs/dbraw/zinc/04/22/15/681042215.db2.gz	QYDJHBJNXXUWAX-HZMVEIRTSA-N	1	1	361.511	2.465	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](Cc3nc(C)cs3)C[C@H]21	ZINC001050144595	681042217	/nfs/dbraw/zinc/04/22/17/681042217.db2.gz	QYDJHBJNXXUWAX-HZMVEIRTSA-N	1	1	361.511	2.465	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1)C1CC1	ZINC000844370217	681054455	/nfs/dbraw/zinc/05/44/55/681054455.db2.gz	FSDAXBAHGFIEPJ-RBUKOAKNSA-N	1	1	361.873	2.432	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1)C1CC1	ZINC000844370217	681054456	/nfs/dbraw/zinc/05/44/56/681054456.db2.gz	FSDAXBAHGFIEPJ-RBUKOAKNSA-N	1	1	361.873	2.432	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1c1nc(Cl)c(C#N)s1	ZINC001050901895	681057317	/nfs/dbraw/zinc/05/73/17/681057317.db2.gz	CXXNJWOZJXUKGI-WOPDTQHZSA-N	1	1	367.906	2.236	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3nc(Cl)c(C#N)s3)[C@@H]2C)CC[N@H+]1C	ZINC001051146147	681064125	/nfs/dbraw/zinc/06/41/25/681064125.db2.gz	VTGPDWIZGVAUDB-KKOKHZNYSA-N	1	1	367.906	2.092	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1CCCC1CCC1	ZINC001051155489	681064427	/nfs/dbraw/zinc/06/44/27/681064427.db2.gz	NXPIZJOCAQILEO-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1CCCC1CCC1	ZINC001051155489	681064428	/nfs/dbraw/zinc/06/44/28/681064428.db2.gz	NXPIZJOCAQILEO-FHWLQOOXSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@]13C[C@H]1COC3)C2	ZINC001054135292	681106368	/nfs/dbraw/zinc/10/63/68/681106368.db2.gz	YMYDOPQUMAIPQW-UAGQMJEPSA-N	1	1	369.303	2.246	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@]13C[C@H]1COC3)C2	ZINC001054135292	681106370	/nfs/dbraw/zinc/10/63/70/681106370.db2.gz	YMYDOPQUMAIPQW-UAGQMJEPSA-N	1	1	369.303	2.246	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNc1nc(Cl)c(C#N)s1	ZINC001054405939	681107354	/nfs/dbraw/zinc/10/73/54/681107354.db2.gz	AFTGJGICLBPVSO-IJLUTSLNSA-N	1	1	367.906	2.126	20	30		FEEDMO
Cc1nsc(NC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C)c1C#N	ZINC001054571911	681113528	/nfs/dbraw/zinc/11/35/28/681113528.db2.gz	QSOFRRUPQDMGOS-VNHYZAJKSA-N	1	1	361.515	2.314	20	30		FEEDMO
Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)c1C#N	ZINC001054675445	681114466	/nfs/dbraw/zinc/11/44/66/681114466.db2.gz	DPPRWCKOJWVMDP-NMFUWQPSSA-N	1	1	361.515	2.170	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CCN(c3snc(Cl)c3C#N)CC2)CC[N@H+]1C	ZINC001056054538	681152008	/nfs/dbraw/zinc/15/20/08/681152008.db2.gz	AHDBLMQJMSIZME-WCQYABFASA-N	1	1	367.906	2.047	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CCCN(c3snc(C)c3C#N)CC2)CC[N@H+]1C	ZINC001057249620	681159856	/nfs/dbraw/zinc/15/98/56/681159856.db2.gz	TWWNXVQIZUGKSQ-GOEBONIOSA-N	1	1	361.515	2.092	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)NC2CCN(c3snc(C)c3C#N)CC2)CC[N@H+]1C	ZINC001057966001	681166286	/nfs/dbraw/zinc/16/62/86/681166286.db2.gz	PTQMVKXXHWIQJT-GOEBONIOSA-N	1	1	361.515	2.139	20	30		FEEDMO
CC(C)c1ncc(Br)c(C(=O)NC2(C#N)CC[NH+](C)CC2)n1	ZINC000932178968	681188782	/nfs/dbraw/zinc/18/87/82/681188782.db2.gz	VMTZBYRKWKQNED-UHFFFAOYSA-N	1	1	366.263	2.080	20	30		FEEDMO
CON1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1	ZINC000846981519	681316511	/nfs/dbraw/zinc/31/65/11/681316511.db2.gz	ORANCKXXTRVWSD-CYBMUJFWSA-N	1	1	362.499	2.252	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@H](CC#N)C(F)(F)F)C[C@H](C)O1	ZINC000932921755	681328825	/nfs/dbraw/zinc/32/88/25/681328825.db2.gz	ZORGYDMATHDVCE-RFQIPJPRSA-N	1	1	362.396	2.114	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@H](CC#N)C(F)(F)F)C[C@H](C)O1	ZINC000932921755	681328829	/nfs/dbraw/zinc/32/88/29/681328829.db2.gz	ZORGYDMATHDVCE-RFQIPJPRSA-N	1	1	362.396	2.114	20	30		FEEDMO
CC(=O)[C@@](C)(O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F	ZINC000932943950	681332513	/nfs/dbraw/zinc/33/25/13/681332513.db2.gz	LOKDNWPKNRIRMH-YIZRAAEISA-N	1	1	369.252	2.429	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)[C@H]1CCCO1	ZINC000775784841	681334579	/nfs/dbraw/zinc/33/45/79/681334579.db2.gz	LGZJZEPNBAKLDG-HUUCEWRRSA-N	1	1	355.265	2.423	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)c(C)c1)[C@@H]1CCCO1	ZINC000775786661	681335172	/nfs/dbraw/zinc/33/51/72/681335172.db2.gz	ZJUJXEPUQSRZIK-CABCVRRESA-N	1	1	351.244	2.466	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@H]1CCCO1	ZINC000775789240	681335229	/nfs/dbraw/zinc/33/52/29/681335229.db2.gz	LNDJKSAUGKUYJB-HZPDHXFCSA-N	1	1	365.271	2.178	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@@H]1CCCO1	ZINC000775794672	681335840	/nfs/dbraw/zinc/33/58/40/681335840.db2.gz	RSNZHTPTOYLTOQ-OCCSQVGLSA-N	1	1	352.818	2.066	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@H]1CCCO1	ZINC000775797375	681336161	/nfs/dbraw/zinc/33/61/61/681336161.db2.gz	DCUCZMYIVMNENL-JZXOWHBKSA-N	1	1	355.463	2.119	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1C)[C@H]1CCCO1	ZINC000775804550	681336669	/nfs/dbraw/zinc/33/66/69/681336669.db2.gz	ANPSTKOQPNZCHZ-UKRRQHHQSA-N	1	1	351.244	2.466	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1ccccc1C(F)(F)F	ZINC000933248057	681380388	/nfs/dbraw/zinc/38/03/88/681380388.db2.gz	RDCMZGVBTXULPU-ZBFHGGJFSA-N	1	1	357.376	2.383	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1	ZINC000847492324	681386416	/nfs/dbraw/zinc/38/64/16/681386416.db2.gz	OXJABBOETLSNIE-UHFFFAOYSA-N	1	1	351.491	2.093	20	30		FEEDMO
CC(C)NS(=O)(=O)c1ccc(N=NC2CCC[N@H+]3CCCC[C@H]23)nc1	ZINC000848404606	681535711	/nfs/dbraw/zinc/53/57/11/681535711.db2.gz	MUGXETFTTKUIJJ-MRXNPFEDSA-N	1	1	365.503	2.185	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=S)N1CCN(c2ccsc2C#N)CC1	ZINC000849274844	681675446	/nfs/dbraw/zinc/67/54/46/681675446.db2.gz	ACEAYTZYQGQENV-AWEZNQCLSA-N	1	1	363.556	2.101	20	30		FEEDMO
C=CCOc1c(Br)cc(C=NNC2=[NH+]C[C@@H](C)N2)cc1OC	ZINC000779793880	681754060	/nfs/dbraw/zinc/75/40/60/681754060.db2.gz	YFAJCYAWOGNWIE-SNVBAGLBSA-N	1	1	367.247	2.294	20	30		FEEDMO
Cc1cc(CN=Nc2ncncc2Cl)c(C)n1CC[NH+]1CCOCC1	ZINC000780275209	681810826	/nfs/dbraw/zinc/81/08/26/681810826.db2.gz	MKPLZIGHWVPSRT-UHFFFAOYSA-N	1	1	362.865	2.327	20	30		FEEDMO
CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1	ZINC000916309378	685523540	/nfs/dbraw/zinc/52/35/40/685523540.db2.gz	ANVCPWJBLMXNMN-UHFFFAOYSA-N	1	1	354.907	2.250	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+][C@H](C)c1csnn1)C2	ZINC000965161381	682184274	/nfs/dbraw/zinc/18/42/74/682184274.db2.gz	QHYWIQJKQLUXJW-CLYUZLAGSA-N	1	1	362.499	2.207	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C(C)C)s2)C1	ZINC000968718832	682242270	/nfs/dbraw/zinc/24/22/70/682242270.db2.gz	AGLFHTJAYHDBML-KFWWJZLASA-N	1	1	364.515	2.333	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2csnc2OC)C1	ZINC000970220812	682289409	/nfs/dbraw/zinc/28/94/09/682289409.db2.gz	MAISSEYVBFNBBT-PMPSAXMXSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cc(OC)ns2)C1	ZINC000971556940	682359077	/nfs/dbraw/zinc/35/90/77/682359077.db2.gz	VZMKVTVCADCUQA-BMFZPTHFSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cc(OC)ns2)C1	ZINC000971556940	682359083	/nfs/dbraw/zinc/35/90/83/682359083.db2.gz	VZMKVTVCADCUQA-BMFZPTHFSA-N	1	1	365.499	2.166	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C1	ZINC000971980939	682385055	/nfs/dbraw/zinc/38/50/55/682385055.db2.gz	DMGNUCXMGCCSAN-QGTPRVQTSA-N	1	1	359.495	2.468	20	30		FEEDMO
C[C@@H]1C[NH+]=C(NN=Cc2cc(Cl)ccc2I)N1	ZINC000853330660	682406386	/nfs/dbraw/zinc/40/63/86/682406386.db2.gz	RWDTYCQXYLCCTJ-SSDOTTSWSA-N	1	1	362.602	2.216	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)CCc1ccc(OC)cc1Br	ZINC000854663663	682577102	/nfs/dbraw/zinc/57/71/02/682577102.db2.gz	CCWBMMVZHCMXAG-UHFFFAOYSA-N	1	1	367.287	2.462	20	30		FEEDMO
Cc1nc(SCC(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c(C#N)c(C)c1C	ZINC000793929242	682918680	/nfs/dbraw/zinc/91/86/80/682918680.db2.gz	UWEWHILRPUOFQS-CVEARBPZSA-N	1	1	358.511	2.381	20	30		FEEDMO
NS(=O)(=O)c1cc(C(=NNc2cc[nH+]cc2)C2CC2)ccc1Cl	ZINC000794531749	682975650	/nfs/dbraw/zinc/97/56/50/682975650.db2.gz	VVIAMCMOERGQND-UHFFFAOYSA-N	1	1	350.831	2.031	20	30		FEEDMO
N#Cc1c(F)cccc1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCCC1	ZINC000859275730	683071110	/nfs/dbraw/zinc/07/11/10/683071110.db2.gz	CEVKAOAZCZCXOU-CQSZACIVSA-N	1	1	351.447	2.383	20	30		FEEDMO
C=CCn1nnn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1=S	ZINC000795691834	683081355	/nfs/dbraw/zinc/08/13/55/683081355.db2.gz	CGCMDNXCCSQBEY-IKGGRYGDSA-N	1	1	357.483	2.457	20	30		FEEDMO
C=CCn1nnn(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1=S	ZINC000795691834	683081358	/nfs/dbraw/zinc/08/13/58/683081358.db2.gz	CGCMDNXCCSQBEY-IKGGRYGDSA-N	1	1	357.483	2.457	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N[C@@H]1C[C@@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O)OCC	ZINC000926260085	683100364	/nfs/dbraw/zinc/10/03/64/683100364.db2.gz	WRWFCIGMOOKZHC-JOMPHRNESA-N	1	1	352.519	2.344	20	30		FEEDMO
N#C[C@@H](c1cccs1)N1CCN(C(=O)C[NH+]2CCC(F)(F)CC2)CC1	ZINC000796539062	683168296	/nfs/dbraw/zinc/16/82/96/683168296.db2.gz	JNWDHQHGJXLZLQ-AWEZNQCLSA-N	1	1	368.453	2.188	20	30		FEEDMO
N#Cc1ccccc1C(F)(F)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12	ZINC000928079443	683372579	/nfs/dbraw/zinc/37/25/79/683372579.db2.gz	YPBCXIWEUUIORJ-GJZGRUSLSA-N	1	1	351.422	2.346	20	30		FEEDMO
N#Cc1ccccc1C(F)(F)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12	ZINC000928079443	683372588	/nfs/dbraw/zinc/37/25/88/683372588.db2.gz	YPBCXIWEUUIORJ-GJZGRUSLSA-N	1	1	351.422	2.346	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C1=O	ZINC000798956598	683408356	/nfs/dbraw/zinc/40/83/56/683408356.db2.gz	FXBOBWKIVLZVDB-INIZCTEOSA-N	1	1	351.491	2.352	20	30		FEEDMO
COc1cc(Br)ccc1C=NNCCC[NH+]1CCOCC1	ZINC000799487942	683459712	/nfs/dbraw/zinc/45/97/12/683459712.db2.gz	IGISAPNIMVHGHR-UHFFFAOYSA-N	1	1	356.264	2.104	20	30		FEEDMO
C#CC[NH+]1CCC(NC(=O)c2cc(Br)cc3nc[nH]c32)CC1	ZINC000928653334	683482321	/nfs/dbraw/zinc/48/23/21/683482321.db2.gz	IJRSVIQBJQZELG-UHFFFAOYSA-N	1	1	361.243	2.153	20	30		FEEDMO
COCC(COC)N[NH+]=Cc1nc(N(C)C)n(-c2ccccc2)c1Cl	ZINC000863196937	683683959	/nfs/dbraw/zinc/68/39/59/683683959.db2.gz	AYOJMTLLAVZKSW-UHFFFAOYSA-N	1	1	365.865	2.177	20	30		FEEDMO
C#CC[C@H](CCOC)[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F	ZINC000863390402	683714213	/nfs/dbraw/zinc/71/42/13/683714213.db2.gz	JSPCVPXXHAYMKD-BXUZGUMPSA-N	1	1	357.223	2.133	20	30		FEEDMO
C#CC1(O)CC[NH+]([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1	ZINC000931143730	683841239	/nfs/dbraw/zinc/84/12/39/683841239.db2.gz	LGECTKJPBXHBOS-OAHLLOKOSA-N	1	1	352.356	2.271	20	30		FEEDMO
C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cccc(C#N)c1O	ZINC000866380703	684096224	/nfs/dbraw/zinc/09/62/24/684096224.db2.gz	JAWLOGRFJOKJKS-JSGCOSHPSA-N	1	1	358.419	2.149	20	30		FEEDMO
O=C(NCC#CCO)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000923781049	684349435	/nfs/dbraw/zinc/34/94/35/684349435.db2.gz	YQTIHRZIFYJLSX-UHFFFAOYSA-N	1	1	370.280	2.253	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC[C@H]21	ZINC000867812931	684397596	/nfs/dbraw/zinc/39/75/96/684397596.db2.gz	OEIAVHAOZLFXNT-SWLSCSKDSA-N	1	1	373.400	2.292	20	30		FEEDMO
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)C1	ZINC000869779057	684654722	/nfs/dbraw/zinc/65/47/22/684654722.db2.gz	SMBCHJIUAWPHNR-HNNXBMFYSA-N	1	1	354.372	2.018	20	30		FEEDMO
N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)c1	ZINC000877306724	686351819	/nfs/dbraw/zinc/35/18/19/686351819.db2.gz	XNACHSHDFRFEKS-MRXNPFEDSA-N	1	1	355.829	2.282	20	30		FEEDMO
N#Cc1ccc(C2CC[NH+](CCn3cnc(Br)n3)CC2)nc1	ZINC000879024513	686717760	/nfs/dbraw/zinc/71/77/60/686717760.db2.gz	XDPDYYHMYXJAGK-UHFFFAOYSA-N	1	1	361.247	2.187	20	30		FEEDMO
C[C@H](C#N)OCC[N@@H+]1C[C@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880219656	687018121	/nfs/dbraw/zinc/01/81/21/687018121.db2.gz	PVTLRFDYHAMXGR-RVKKMQEKSA-N	1	1	353.463	2.015	20	30		FEEDMO
C[C@H](C#N)OCC[N@H+]1C[C@H](C)O[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880219656	687018127	/nfs/dbraw/zinc/01/81/27/687018127.db2.gz	PVTLRFDYHAMXGR-RVKKMQEKSA-N	1	1	353.463	2.015	20	30		FEEDMO
C=C(C)CS(=O)(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2	ZINC000882790208	687490951	/nfs/dbraw/zinc/49/09/51/687490951.db2.gz	RNZGJJGYFPHEQX-HKUYNNGSSA-N	1	1	364.511	2.258	20	30		FEEDMO
C=C(C)CS(=O)(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2	ZINC000882790208	687490954	/nfs/dbraw/zinc/49/09/54/687490954.db2.gz	RNZGJJGYFPHEQX-HKUYNNGSSA-N	1	1	364.511	2.258	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Nc1ccc(Br)c(C#N)n1	ZINC000883096602	687563494	/nfs/dbraw/zinc/56/34/94/687563494.db2.gz	MAEWWFSYGZNHJO-RNCFNFMXSA-N	1	1	364.247	2.320	20	30		FEEDMO
C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(Br)c(C#N)n3)[C@@H]2C1	ZINC000883114272	687568731	/nfs/dbraw/zinc/56/87/31/687568731.db2.gz	PROWBVLHVWURRH-GXFFZTMASA-N	1	1	364.247	2.274	20	30		FEEDMO
CCN(C(=O)Nc1ccc(Br)c(C#N)n1)[C@H]1CC[N@@H+](C)C1	ZINC000883117286	687569544	/nfs/dbraw/zinc/56/95/44/687569544.db2.gz	VUGRWSZTMVNHHT-JTQLQIEISA-N	1	1	352.236	2.274	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2nc(C)cs2)C1	ZINC000886696349	688291815	/nfs/dbraw/zinc/29/18/15/688291815.db2.gz	MPMPDOKHZBLOIK-UONOGXRCSA-N	1	1	350.488	2.106	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888412635	688607154	/nfs/dbraw/zinc/60/71/54/688607154.db2.gz	PHPWCQJQJMLHPD-UHFFFAOYSA-N	1	1	370.910	2.158	20	30		FEEDMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1nc(Cl)c(C#N)s1	ZINC000888412635	688607155	/nfs/dbraw/zinc/60/71/55/688607155.db2.gz	PHPWCQJQJMLHPD-UHFFFAOYSA-N	1	1	370.910	2.158	20	30		FEEDMO
C[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1(C)C	ZINC000891008294	689000300	/nfs/dbraw/zinc/00/03/00/689000300.db2.gz	QFEPNQFRUZBBAD-UHFFFAOYSA-N	1	1	360.483	2.183	20	30		FEEDMO
C[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1(C)C	ZINC000891008294	689000303	/nfs/dbraw/zinc/00/03/03/689000303.db2.gz	QFEPNQFRUZBBAD-UHFFFAOYSA-N	1	1	360.483	2.183	20	30		FEEDMO
O=C1[C@@H]([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCCN1O	ZINC000895166322	689670438	/nfs/dbraw/zinc/67/04/38/689670438.db2.gz	POCQDGUAVWBIAK-AWEZNQCLSA-N	1	1	365.231	2.105	20	30		FEEDMO
N#Cc1cc(NC[C@H]2CC[N@H+]2C2CCOCC2)ncc1Br	ZINC000896526078	689885307	/nfs/dbraw/zinc/88/53/07/689885307.db2.gz	SAZHWYKAKSHVNT-CYBMUJFWSA-N	1	1	351.248	2.381	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1Cl	ZINC000897609148	690048028	/nfs/dbraw/zinc/04/80/28/690048028.db2.gz	DOHWEZCKXCMXNS-OCCSQVGLSA-N	1	1	358.891	2.261	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906863357	691330878	/nfs/dbraw/zinc/33/08/78/691330878.db2.gz	HBCQIFGQGHOUEB-RHSMWYFYSA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906863357	691330882	/nfs/dbraw/zinc/33/08/82/691330882.db2.gz	HBCQIFGQGHOUEB-RHSMWYFYSA-N	1	1	356.451	2.067	20	30		FEEDMO
CCC[N@H+]1CCC[C@@H](C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1	ZINC000908285524	691652140	/nfs/dbraw/zinc/65/21/40/691652140.db2.gz	SVGNWTVFKWLOPU-OAHLLOKOSA-N	1	1	361.515	2.094	20	30		FEEDMO
Cc1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1C#N	ZINC001164744948	720621446	/nfs/dbraw/zinc/62/14/46/720621446.db2.gz	SJZPNIRRPQRLCP-ZIAGYGMSSA-N	1	1	370.844	2.047	20	30		FEEDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc4c(cc3C#N)CCCC4)CC[C@H]2C1	ZINC001164863754	720875145	/nfs/dbraw/zinc/87/51/45/720875145.db2.gz	UDPSRJJHPXKTGK-FXAWDEMLSA-N	1	1	370.497	2.006	20	30		FEEDMO
N#Cc1ncc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164900336	721521196	/nfs/dbraw/zinc/52/11/96/721521196.db2.gz	QJJZKDHZJBRTCD-ZFWWWQNUSA-N	1	1	373.819	2.483	20	30		FEEDMO
N#Cc1cnc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164898533	721521332	/nfs/dbraw/zinc/52/13/32/721521332.db2.gz	IIOJWRJGVDQDPR-GOEBONIOSA-N	1	1	373.819	2.483	20	30		FEEDMO
N#CCc1cncc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164903039	721549493	/nfs/dbraw/zinc/54/94/93/721549493.db2.gz	BVLPVOLUVBLLDF-WMZOPIPTSA-N	1	1	353.401	2.024	20	30		FEEDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C#N)c2F)[C@@H]2CCCO[C@@H]12	ZINC001164805662	721553512	/nfs/dbraw/zinc/55/35/12/721553512.db2.gz	OITWUJWIVOAJTC-ZHALLVOQSA-N	1	1	367.428	2.356	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nccc(C#N)c2F)[C@@H]2CCCO[C@@H]12	ZINC001164805662	721553518	/nfs/dbraw/zinc/55/35/18/721553518.db2.gz	OITWUJWIVOAJTC-ZHALLVOQSA-N	1	1	367.428	2.356	20	30		FEEDMO
N#Cc1cc(F)cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164981563	722105415	/nfs/dbraw/zinc/10/54/15/722105415.db2.gz	LSIOBGVRRSOFAP-VQIMIIECSA-N	1	1	367.428	2.215	20	30		FEEDMO
Cc1ccc(C#N)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1	ZINC001164982307	722106042	/nfs/dbraw/zinc/10/60/42/722106042.db2.gz	NKMIKTUPVATYIY-PMACEKPBSA-N	1	1	363.465	2.384	20	30		FEEDMO
N#CCCN(C(=O)C[NH+]1CCC(C(=O)N2CCCC2)CC1)c1ccccc1	ZINC000025754387	539768476	/nfs/dbraw/zinc/76/84/76/539768476.db2.gz	CCCMGDJYISLPBD-UHFFFAOYSA-N	1	1	368.481	2.268	20	30		FEEDMO
COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)Cc2cccc(C#N)c2)cc1	ZINC000026328306	539783657	/nfs/dbraw/zinc/78/36/57/539783657.db2.gz	GNKXRKDINKCAFE-SFHVURJKSA-N	1	1	354.406	2.217	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](C)[C@H]3CCC[C@H](C)C3)CC2)o1	ZINC000029820691	539865366	/nfs/dbraw/zinc/86/53/66/539865366.db2.gz	YROXLTRLTOTOCT-HOCLYGCPSA-N	1	1	359.474	2.014	20	30		FEEDMO
N#Cc1ccccc1S(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1	ZINC000030431841	539881554	/nfs/dbraw/zinc/88/15/54/539881554.db2.gz	GPQGXGKAKNGXNV-UHFFFAOYSA-N	1	1	365.524	2.198	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCC2)c1	ZINC000030431850	539881609	/nfs/dbraw/zinc/88/16/09/539881609.db2.gz	WMPSFNOHRPZANP-UHFFFAOYSA-N	1	1	365.524	2.198	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](CCOc2ccccc2)CC1	ZINC000042384992	540061853	/nfs/dbraw/zinc/06/18/53/540061853.db2.gz	RQMAPWFWZHRNHG-IBGZPJMESA-N	1	1	359.514	2.496	20	30		FEEDMO
C[NH+]1CCN([C@@H](CNC(=O)c2cccc(C#N)c2)c2cccs2)CC1	ZINC000046708228	540267341	/nfs/dbraw/zinc/26/73/41/540267341.db2.gz	DGQKDZAVJUPLAA-KRWDZBQOSA-N	1	1	354.479	2.338	20	30		FEEDMO
C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+](C)Cc1cccc(C#N)c1	ZINC000046518717	540261467	/nfs/dbraw/zinc/26/14/67/540261467.db2.gz	JWVBKIVETICLLI-MAUKXSAKSA-N	1	1	365.433	2.335	20	30		FEEDMO
C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@@H+](C)Cc1cccc(C#N)c1	ZINC000046518717	540261471	/nfs/dbraw/zinc/26/14/71/540261471.db2.gz	JWVBKIVETICLLI-MAUKXSAKSA-N	1	1	365.433	2.335	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1	ZINC000047214017	540297040	/nfs/dbraw/zinc/29/70/40/540297040.db2.gz	JTQSWYUBACNTSJ-OAHLLOKOSA-N	1	1	372.513	2.424	20	30		FEEDMO
Cc1cccc(C)c1OC[C@@H](O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1	ZINC000047859915	540331136	/nfs/dbraw/zinc/33/11/36/540331136.db2.gz	LQRVMPQBLXVMIP-IBGZPJMESA-N	1	1	366.465	2.132	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1	ZINC000051557194	540437867	/nfs/dbraw/zinc/43/78/67/540437867.db2.gz	FLOHARYKOFSISL-MSOLQXFVSA-N	1	1	374.529	2.442	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(c3ncc(Br)cn3)CC2)cc1	ZINC000051793933	540444581	/nfs/dbraw/zinc/44/45/81/540444581.db2.gz	ULOTVRUUIIOEBA-UHFFFAOYSA-N	1	1	358.243	2.433	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1	ZINC000052593989	540476553	/nfs/dbraw/zinc/47/65/53/540476553.db2.gz	MJRDMEOVZAJQPS-OAHLLOKOSA-N	1	1	359.449	2.013	20	30		FEEDMO
CCOCCCNC(=O)[C@H](C)[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000052801397	540490162	/nfs/dbraw/zinc/49/01/62/540490162.db2.gz	SAJQUEPTONJPRG-KRWDZBQOSA-N	1	1	358.486	2.002	20	30		FEEDMO
CCOCCCNC(=O)[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000052801397	540490164	/nfs/dbraw/zinc/49/01/64/540490164.db2.gz	SAJQUEPTONJPRG-KRWDZBQOSA-N	1	1	358.486	2.002	20	30		FEEDMO
CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1COc2ccccc2O1	ZINC000052927912	540499583	/nfs/dbraw/zinc/49/95/83/540499583.db2.gz	MJAAOQPGHXMLEF-JXFKEZNVSA-N	1	1	357.454	2.347	20	30		FEEDMO
CCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1COc2ccccc2O1	ZINC000052927912	540499587	/nfs/dbraw/zinc/49/95/87/540499587.db2.gz	MJAAOQPGHXMLEF-JXFKEZNVSA-N	1	1	357.454	2.347	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1	ZINC000052931281	540500765	/nfs/dbraw/zinc/50/07/65/540500765.db2.gz	KEKXWHIGKRIHBG-QGZVFWFLSA-N	1	1	354.454	2.125	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1	ZINC000053775344	540553615	/nfs/dbraw/zinc/55/36/15/540553615.db2.gz	ZBGADBVRVHOEKI-KRWDZBQOSA-N	1	1	358.486	2.215	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1	ZINC000054205750	540574796	/nfs/dbraw/zinc/57/47/96/540574796.db2.gz	JMGVCGLHYTWRKS-RDJZCZTQSA-N	1	1	371.485	2.049	20	30		FEEDMO
CC(C)n1cc(C#N)c(=NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)[nH]1	ZINC000538073399	540805328	/nfs/dbraw/zinc/80/53/28/540805328.db2.gz	YCQDLJWPESUUDS-UHFFFAOYSA-N	1	1	374.489	2.045	20	30		FEEDMO
N#Cc1cc(F)c(NCCC[NH+]2CCN(c3ncccn3)CC2)c(F)c1	ZINC000063508520	541171218	/nfs/dbraw/zinc/17/12/18/541171218.db2.gz	FQPXNBWGBJEUFQ-UHFFFAOYSA-N	1	1	358.396	2.251	20	30		FEEDMO
C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064633408	541213246	/nfs/dbraw/zinc/21/32/46/541213246.db2.gz	HLSHIJXAYTVFIA-IAGOWNOFSA-N	1	1	355.486	2.255	20	30		FEEDMO
C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064633408	541213248	/nfs/dbraw/zinc/21/32/48/541213248.db2.gz	HLSHIJXAYTVFIA-IAGOWNOFSA-N	1	1	355.486	2.255	20	30		FEEDMO
CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064634702	541214292	/nfs/dbraw/zinc/21/42/92/541214292.db2.gz	YWIULKYQQKDJPU-QGZVFWFLSA-N	1	1	357.502	2.358	20	30		FEEDMO
CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000064634702	541214295	/nfs/dbraw/zinc/21/42/95/541214295.db2.gz	YWIULKYQQKDJPU-QGZVFWFLSA-N	1	1	357.502	2.358	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1	ZINC000064399995	541204244	/nfs/dbraw/zinc/20/42/44/541204244.db2.gz	AXCQGNNTBIQDAV-IBGZPJMESA-N	1	1	359.470	2.438	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1	ZINC000064399995	541204246	/nfs/dbraw/zinc/20/42/46/541204246.db2.gz	AXCQGNNTBIQDAV-IBGZPJMESA-N	1	1	359.470	2.438	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)CC2CCCC2)CC1	ZINC000066877093	541384634	/nfs/dbraw/zinc/38/46/34/541384634.db2.gz	KKOFXNGDUZTWAU-INIZCTEOSA-N	1	1	362.518	2.155	20	30		FEEDMO
CC[N@H+]1CC[C@H](CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1	ZINC000543765887	541657211	/nfs/dbraw/zinc/65/72/11/541657211.db2.gz	VSTKEZHGMMPGIQ-CYBMUJFWSA-N	1	1	356.405	2.346	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(C(=O)C(C)C)CC1	ZINC000069609059	541700278	/nfs/dbraw/zinc/70/02/78/541700278.db2.gz	QNOAFRPZEJPSBM-IBGZPJMESA-N	1	1	360.498	2.345	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc(OCCCC#N)c2)C1	ZINC000071009734	541758213	/nfs/dbraw/zinc/75/82/13/541758213.db2.gz	XCGLWBMHWVFAIC-MRXNPFEDSA-N	1	1	372.469	2.156	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+](C)C1CCN(c2ccc(Cl)cc2)CC1	ZINC000072801775	541868085	/nfs/dbraw/zinc/86/80/85/541868085.db2.gz	OQTWEJSNOCMNQA-UHFFFAOYSA-N	1	1	364.877	2.252	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1	ZINC000072830580	541874517	/nfs/dbraw/zinc/87/45/17/541874517.db2.gz	WFODODUPECWEKQ-KPZWWZAWSA-N	1	1	360.845	2.141	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1	ZINC000072830580	541874519	/nfs/dbraw/zinc/87/45/19/541874519.db2.gz	WFODODUPECWEKQ-KPZWWZAWSA-N	1	1	360.845	2.141	20	30		FEEDMO
CCC[C@]1(C)CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000072896281	541890325	/nfs/dbraw/zinc/89/03/25/541890325.db2.gz	FYFMXINYTICVCO-HXUWFJFHSA-N	1	1	373.501	2.406	20	30		FEEDMO
C[C@@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(=O)Nc1cccc(C#N)c1	ZINC000073412329	541950516	/nfs/dbraw/zinc/95/05/16/541950516.db2.gz	ZVBBWQZKLVVLDV-CQSZACIVSA-N	1	1	365.437	2.497	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1=O	ZINC000075265220	542164507	/nfs/dbraw/zinc/16/45/07/542164507.db2.gz	JIKYRBROSKPWGM-KFKAGJAMSA-N	1	1	368.481	2.068	20	30		FEEDMO
COC(=O)CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1CCCO1	ZINC000075744996	542201897	/nfs/dbraw/zinc/20/18/97/542201897.db2.gz	WAAPTTSPCHWQHU-INIZCTEOSA-N	1	1	370.409	2.152	20	30		FEEDMO
COC(=O)CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1CCCO1	ZINC000075744996	542201900	/nfs/dbraw/zinc/20/19/00/542201900.db2.gz	WAAPTTSPCHWQHU-INIZCTEOSA-N	1	1	370.409	2.152	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1	ZINC000075917011	542215914	/nfs/dbraw/zinc/21/59/14/542215914.db2.gz	HDURZNVEVMHUFX-UHFFFAOYSA-N	1	1	355.438	2.202	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCc2c(cccc2N2CCOC2=O)C1	ZINC000075917011	542215915	/nfs/dbraw/zinc/21/59/15/542215915.db2.gz	HDURZNVEVMHUFX-UHFFFAOYSA-N	1	1	355.438	2.202	20	30		FEEDMO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1	ZINC000076981832	542338175	/nfs/dbraw/zinc/33/81/75/542338175.db2.gz	UYJMHZPOAGXRFU-MRXNPFEDSA-N	1	1	371.460	2.013	20	30		FEEDMO
COCCN(CCC#N)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1	ZINC000078582897	542468813	/nfs/dbraw/zinc/46/88/13/542468813.db2.gz	FJQRSFSLOKWJRI-INIZCTEOSA-N	1	1	360.458	2.474	20	30		FEEDMO
C[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(N2CCOCC2)cc1	ZINC000078588480	542469385	/nfs/dbraw/zinc/46/93/85/542469385.db2.gz	OGYVXGHJSAWSSU-UHFFFAOYSA-N	1	1	364.449	2.465	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(N2CCOCC2)cc1	ZINC000078588480	542469389	/nfs/dbraw/zinc/46/93/89/542469389.db2.gz	OGYVXGHJSAWSSU-UHFFFAOYSA-N	1	1	364.449	2.465	20	30		FEEDMO
C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1	ZINC000050033722	221030084	/nfs/dbraw/zinc/03/00/84/221030084.db2.gz	TULSKDMBWGKEHT-FQEVSTJZSA-N	1	1	361.445	2.387	20	30		FEEDMO
C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1	ZINC000050033722	221030085	/nfs/dbraw/zinc/03/00/85/221030085.db2.gz	TULSKDMBWGKEHT-FQEVSTJZSA-N	1	1	361.445	2.387	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000055749240	221073373	/nfs/dbraw/zinc/07/33/73/221073373.db2.gz	QPYZMQCWPONWBV-ZNMIVQPWSA-N	1	1	372.513	2.279	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000079351770	542513835	/nfs/dbraw/zinc/51/38/35/542513835.db2.gz	CRWKTQIVEKXFFZ-IEBWSBKVSA-N	1	1	357.502	2.166	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000079351770	542513842	/nfs/dbraw/zinc/51/38/42/542513842.db2.gz	CRWKTQIVEKXFFZ-IEBWSBKVSA-N	1	1	357.502	2.166	20	30		FEEDMO
C[C@H](C#N)CN(C)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000079351770	542513845	/nfs/dbraw/zinc/51/38/45/542513845.db2.gz	CRWKTQIVEKXFFZ-IEBWSBKVSA-N	1	1	357.502	2.166	20	30		FEEDMO
CCc1ccc(C[N@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1	ZINC000091535153	542811636	/nfs/dbraw/zinc/81/16/36/542811636.db2.gz	KPYOSEKQUCTLSN-FQEVSTJZSA-N	1	1	356.514	2.373	20	30		FEEDMO
CCc1ccc(C[N@@H+](C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1	ZINC000091535153	542811639	/nfs/dbraw/zinc/81/16/39/542811639.db2.gz	KPYOSEKQUCTLSN-FQEVSTJZSA-N	1	1	356.514	2.373	20	30		FEEDMO
CC[N@@H+](CCc1ccccc1)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000091539860	542811907	/nfs/dbraw/zinc/81/19/07/542811907.db2.gz	ZAIYYWDGSLTPLU-FQEVSTJZSA-N	1	1	356.514	2.243	20	30		FEEDMO
CCSCC[C@@H](C)[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1	ZINC000091623538	542816753	/nfs/dbraw/zinc/81/67/53/542816753.db2.gz	MYCPPHBSHOYCAQ-SJORKVTESA-N	1	1	354.564	2.142	20	30		FEEDMO
C[N@@H+](CCNC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C1CC1	ZINC000092242709	542850983	/nfs/dbraw/zinc/85/09/83/542850983.db2.gz	ABZNVRCZLYBMDV-UHFFFAOYSA-N	1	1	357.458	2.037	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1	ZINC000093014711	542901649	/nfs/dbraw/zinc/90/16/49/542901649.db2.gz	NZDWENVUNVHBRD-HXUWFJFHSA-N	1	1	370.497	2.250	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@@H+]3CCCN(Cc4cscn4)CC3)n2c1	ZINC000093015982	542902493	/nfs/dbraw/zinc/90/24/93/542902493.db2.gz	LXJMQZWWHNTLTH-UHFFFAOYSA-N	1	1	352.467	2.370	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@H+]3CCCN(Cc4cscn4)CC3)n2c1	ZINC000093015982	542902495	/nfs/dbraw/zinc/90/24/95/542902495.db2.gz	LXJMQZWWHNTLTH-UHFFFAOYSA-N	1	1	352.467	2.370	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(Nc2ccc(F)cc2)CC1	ZINC000101561227	543032289	/nfs/dbraw/zinc/03/22/89/543032289.db2.gz	GLYGQBNMWFCOCS-UHFFFAOYSA-N	1	1	357.433	2.358	20	30		FEEDMO
CC[N@@H+](CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1)C(C)C	ZINC000102571044	543072648	/nfs/dbraw/zinc/07/26/48/543072648.db2.gz	DKGUFFHVWRBLKK-UHFFFAOYSA-N	1	1	361.465	2.259	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)CSc2ccc(C#N)cc2)CC1	ZINC000103206450	543097127	/nfs/dbraw/zinc/09/71/27/543097127.db2.gz	BAWRMTPZZGQLBT-MRXNPFEDSA-N	1	1	360.527	2.040	20	30		FEEDMO
CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104715456	543138659	/nfs/dbraw/zinc/13/86/59/543138659.db2.gz	LXVCPIZCPHUFTQ-UHFFFAOYSA-N	1	1	358.442	2.026	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCCNC1=O	ZINC000105613830	543177924	/nfs/dbraw/zinc/17/79/24/543177924.db2.gz	RIUNZZIMXZDOLC-AWEZNQCLSA-N	1	1	360.483	2.038	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCO[C@H](C#N)C3)cc2)C1	ZINC000106330806	543223183	/nfs/dbraw/zinc/22/31/83/543223183.db2.gz	AISIVCAVYGYQDO-VQIMIIECSA-N	1	1	356.470	2.352	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1	ZINC000106962141	543258383	/nfs/dbraw/zinc/25/83/83/543258383.db2.gz	JDPINBWFLMMLOM-MRXNPFEDSA-N	1	1	357.454	2.323	20	30		FEEDMO
N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1	ZINC000109701023	543334919	/nfs/dbraw/zinc/33/49/19/543334919.db2.gz	ZAFBWRZNKVJBDV-GOSISDBHSA-N	1	1	368.481	2.201	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(C#N)c1)[N@@H+](C)Cc1ccccc1	ZINC000111910984	543424526	/nfs/dbraw/zinc/42/45/26/543424526.db2.gz	QKCDCGBPBUVOME-AWEZNQCLSA-N	1	1	368.412	2.273	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3CC)cc2C1=O	ZINC000113199024	543476711	/nfs/dbraw/zinc/47/67/11/543476711.db2.gz	DOCYYADPFNZUKW-MRXNPFEDSA-N	1	1	369.465	2.463	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](C[C@@H]1CCOC1)C1CC1	ZINC000116074322	543597534	/nfs/dbraw/zinc/59/75/34/543597534.db2.gz	UAKZXOQZJHVPNQ-HNNXBMFYSA-N	1	1	365.437	2.183	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](C[C@H]1CCOC1)C1CC1	ZINC000116074326	543597613	/nfs/dbraw/zinc/59/76/13/543597613.db2.gz	UAKZXOQZJHVPNQ-OAHLLOKOSA-N	1	1	365.437	2.183	20	30		FEEDMO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000121298935	543692341	/nfs/dbraw/zinc/69/23/41/543692341.db2.gz	XNDYHLHHWNGQLX-SFHVURJKSA-N	1	1	372.469	2.106	20	30		FEEDMO
CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(OCCCC#N)c1	ZINC000121298935	543692343	/nfs/dbraw/zinc/69/23/43/543692343.db2.gz	XNDYHLHHWNGQLX-SFHVURJKSA-N	1	1	372.469	2.106	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NC(=O)C#Cc2ccc3c(c2)OCO3)[C@H](C)C1	ZINC000119301525	543666076	/nfs/dbraw/zinc/66/60/76/543666076.db2.gz	VYWGVTBWOMUQIF-AEFFLSMTSA-N	1	1	372.465	2.020	20	30		FEEDMO
COCCCOC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000122769652	543722806	/nfs/dbraw/zinc/72/28/06/543722806.db2.gz	WEVHLXPZMKMEHH-LJQANCHMSA-N	1	1	357.454	2.181	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1	ZINC000123993832	543795183	/nfs/dbraw/zinc/79/51/83/543795183.db2.gz	DRQUQCVOHQTGQF-FQEVSTJZSA-N	1	1	354.498	2.467	20	30		FEEDMO
CN(C(=O)c1ccc(C#N)nc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000124595021	543831282	/nfs/dbraw/zinc/83/12/82/543831282.db2.gz	YPJNHDLRPXOZQT-UXHICEINSA-N	1	1	369.513	2.362	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2ccccc2C#N)C[N@H+]1Cc1ccccc1	ZINC000126359252	543932081	/nfs/dbraw/zinc/93/20/81/543932081.db2.gz	IFBQSXGNZZIPQH-CRAIPNDOSA-N	1	1	355.463	2.500	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CCN1CC(F)(F)F	ZINC000128025178	544028967	/nfs/dbraw/zinc/02/89/67/544028967.db2.gz	NZYQWHVWZCAJCK-CYBMUJFWSA-N	1	1	354.376	2.455	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CCN1CC(F)(F)F	ZINC000128025178	544028969	/nfs/dbraw/zinc/02/89/69/544028969.db2.gz	NZYQWHVWZCAJCK-CYBMUJFWSA-N	1	1	354.376	2.455	20	30		FEEDMO
C=CCc1cc(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc(OC)c1OC	ZINC000127593514	544002277	/nfs/dbraw/zinc/00/22/77/544002277.db2.gz	LMFHCAFZDQQYEN-MRXNPFEDSA-N	1	1	364.511	2.486	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1	ZINC000131494641	544192273	/nfs/dbraw/zinc/19/22/73/544192273.db2.gz	SUEGGSIJRJQWGK-GOSISDBHSA-N	1	1	361.511	2.145	20	30		FEEDMO
C[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)CN1CC[NH+](C)CC1	ZINC000133827115	544284471	/nfs/dbraw/zinc/28/44/71/544284471.db2.gz	YJOXCLCYYXAATE-HKUYNNGSSA-N	1	1	357.502	2.214	20	30		FEEDMO
Cc1cnn(CCCCC[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1	ZINC000247502146	549346140	/nfs/dbraw/zinc/34/61/40/549346140.db2.gz	XRJGUVDTZVWEFP-QGZVFWFLSA-N	1	1	353.474	2.234	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1	ZINC000134799868	544321855	/nfs/dbraw/zinc/32/18/55/544321855.db2.gz	ICQJBCNRXOTPSD-XKQJLSEDSA-N	1	1	363.433	2.114	20	30		FEEDMO
CCOc1ccnc(N2CCC[N@@H+](CCOc3cccc(C#N)c3)CC2)n1	ZINC000135796391	544361407	/nfs/dbraw/zinc/36/14/07/544361407.db2.gz	OHUWFSIHYPVBMQ-UHFFFAOYSA-N	1	1	367.453	2.338	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1	ZINC000151867138	544590129	/nfs/dbraw/zinc/59/01/29/544590129.db2.gz	FQVRITARQINFCX-ZIFCJYIRSA-N	1	1	356.422	2.479	20	30		FEEDMO
C[C@H](NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccc(Cl)cc1	ZINC000153295782	544756886	/nfs/dbraw/zinc/75/68/86/544756886.db2.gz	YXAXDUHWCWSKJJ-LBPRGKRZSA-N	1	1	374.876	2.259	20	30		FEEDMO
C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153325843	544761523	/nfs/dbraw/zinc/76/15/23/544761523.db2.gz	BFKUEUXDAIXQPJ-LBPRGKRZSA-N	1	1	374.876	2.086	20	30		FEEDMO
CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1cccc(S(N)(=O)=O)c1	ZINC000181749510	327744803	/nfs/dbraw/zinc/74/48/03/327744803.db2.gz	GSTROJFXKJYUTI-QGZVFWFLSA-N	1	1	359.451	2.455	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3C[C@H]4OCCC[C@H]34)CC2)cc1	ZINC000187935944	328055175	/nfs/dbraw/zinc/05/51/75/328055175.db2.gz	GGZXPKIURPFRCO-VAMGGRTRSA-N	1	1	368.481	2.343	20	30		FEEDMO
C[C@@H]1CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@H+]1CC(C)(C)O	ZINC000188616822	328098931	/nfs/dbraw/zinc/09/89/31/328098931.db2.gz	SXGYBNMCFYJTCE-QGZVFWFLSA-N	1	1	373.497	2.411	20	30		FEEDMO
Cn1cc([C@@H]2CSCC[N@@H+]2CCC(=O)Nc2sccc2C#N)cn1	ZINC000191195970	328253564	/nfs/dbraw/zinc/25/35/64/328253564.db2.gz	MNUKDBJOKAWRQW-AWEZNQCLSA-N	1	1	361.496	2.472	20	30		FEEDMO
Cn1cc([C@@H]2CSCC[N@H+]2CCC(=O)Nc2sccc2C#N)cn1	ZINC000191195970	328253566	/nfs/dbraw/zinc/25/35/66/328253566.db2.gz	MNUKDBJOKAWRQW-AWEZNQCLSA-N	1	1	361.496	2.472	20	30		FEEDMO
C[C@H](c1nnnn1C1CC1)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000191864228	328285738	/nfs/dbraw/zinc/28/57/38/328285738.db2.gz	CVJYXINYRVRJGN-OAHLLOKOSA-N	1	1	351.458	2.149	20	30		FEEDMO
C[N@@H+](CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCCC1	ZINC000192973504	328349676	/nfs/dbraw/zinc/34/96/76/328349676.db2.gz	SMXWHTLYASDYRS-UHFFFAOYSA-N	1	1	359.474	2.044	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccnc(C#N)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000193543920	328380803	/nfs/dbraw/zinc/38/08/03/328380803.db2.gz	PFOZVVXNPDJLLZ-UXHICEINSA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccnc(C#N)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000193543920	328380805	/nfs/dbraw/zinc/38/08/05/328380805.db2.gz	PFOZVVXNPDJLLZ-UXHICEINSA-N	1	1	364.449	2.363	20	30		FEEDMO
CS(=O)(=O)Nc1cccc2c1CC[N@H+](CCOc1cccc(C#N)c1)C2	ZINC000193790941	328395329	/nfs/dbraw/zinc/39/53/29/328395329.db2.gz	OXWZGBIJKYKPNB-UHFFFAOYSA-N	1	1	371.462	2.367	20	30		FEEDMO
CS(=O)(=O)Nc1cccc2c1CC[N@@H+](CCOc1cccc(C#N)c1)C2	ZINC000193790941	328395331	/nfs/dbraw/zinc/39/53/31/328395331.db2.gz	OXWZGBIJKYKPNB-UHFFFAOYSA-N	1	1	371.462	2.367	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1	ZINC000088780203	325301269	/nfs/dbraw/zinc/30/12/69/325301269.db2.gz	UKFYAPCKATYKDR-CQSZACIVSA-N	1	1	362.861	2.340	20	30		FEEDMO
COCCCOCC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000091102460	325374868	/nfs/dbraw/zinc/37/48/68/325374868.db2.gz	HGFDNBPXCOAOMA-UHFFFAOYSA-N	1	1	365.499	2.422	20	30		FEEDMO
CN(C)C(=O)c1ccc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)[nH]1	ZINC000091792322	325394317	/nfs/dbraw/zinc/39/43/17/325394317.db2.gz	XNUIYNFPIFJCBY-UHFFFAOYSA-N	1	1	351.454	2.300	20	30		FEEDMO
CN(C)C(=O)c1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)[nH]1	ZINC000091792322	325394318	/nfs/dbraw/zinc/39/43/18/325394318.db2.gz	XNUIYNFPIFJCBY-UHFFFAOYSA-N	1	1	351.454	2.300	20	30		FEEDMO
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)[NH+]2CCCC2)o1	ZINC000102101578	325487410	/nfs/dbraw/zinc/48/74/10/325487410.db2.gz	UQKOTEUELMAPIF-KRWDZBQOSA-N	1	1	366.421	2.352	20	30		FEEDMO
C[C@@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)N1CC[NH+](C)CC1	ZINC000111657410	325729643	/nfs/dbraw/zinc/72/96/43/325729643.db2.gz	GTXOIJZMDQEGOZ-IVMQYODDSA-N	1	1	370.497	2.000	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)CC[NH+]1CCOCC1	ZINC000114368356	325885448	/nfs/dbraw/zinc/88/54/48/325885448.db2.gz	OZANEAAWAORRAC-LPHOPBHVSA-N	1	1	359.470	2.189	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000118118004	326083413	/nfs/dbraw/zinc/08/34/13/326083413.db2.gz	RTEVXNVJCAVLII-CQSZACIVSA-N	1	1	360.458	2.130	20	30		FEEDMO
N#Cc1ccc(OCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1	ZINC000118866572	326109903	/nfs/dbraw/zinc/10/99/03/326109903.db2.gz	ADMRUAZNKIHMGF-HNNXBMFYSA-N	1	1	353.382	2.427	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1	ZINC000119373927	326154857	/nfs/dbraw/zinc/15/48/57/326154857.db2.gz	WRLKVMPVKAIJPG-OAHLLOKOSA-N	1	1	366.469	2.034	20	30		FEEDMO
COc1cccc([C@@H](CNS(=O)(=O)c2ccccc2C#N)[NH+](C)C)c1	ZINC000119376038	326155197	/nfs/dbraw/zinc/15/51/97/326155197.db2.gz	FEOVUQHZJSFRLD-QGZVFWFLSA-N	1	1	359.451	2.148	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000120296404	326247074	/nfs/dbraw/zinc/24/70/74/326247074.db2.gz	BHZLXJIRZCFOPZ-HNNXBMFYSA-N	1	1	353.463	2.344	20	30		FEEDMO
CCC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1	ZINC000121010074	326305959	/nfs/dbraw/zinc/30/59/59/326305959.db2.gz	XCJRXKDDNDKYQP-MRXNPFEDSA-N	1	1	359.474	2.015	20	30		FEEDMO
Cc1cccc(S(=O)(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C#N	ZINC000126509501	326490346	/nfs/dbraw/zinc/49/03/46/326490346.db2.gz	LZMLXWOEFIEMQD-HOTGVXAUSA-N	1	1	365.499	2.034	20	30		FEEDMO
COc1c(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)nn1C	ZINC000162390719	327024474	/nfs/dbraw/zinc/02/44/74/327024474.db2.gz	PTGCIBKDVZWIGH-UHFFFAOYSA-N	1	1	353.470	2.363	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1	ZINC000162996237	327040060	/nfs/dbraw/zinc/04/00/60/327040060.db2.gz	KWBPTZWCILVFAH-SJLPKXTDSA-N	1	1	369.465	2.421	20	30		FEEDMO
CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000172841862	327221969	/nfs/dbraw/zinc/22/19/69/327221969.db2.gz	IQZZAEGHYKGZLD-OAHLLOKOSA-N	1	1	362.861	2.483	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1	ZINC000174328953	327320267	/nfs/dbraw/zinc/32/02/67/327320267.db2.gz	KINXYFIJWSIBJP-UHFFFAOYSA-N	1	1	372.450	2.168	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1C#N	ZINC000174643300	327340891	/nfs/dbraw/zinc/34/08/91/327340891.db2.gz	XGRMLOQCHZUKEP-HNNXBMFYSA-N	1	1	356.470	2.434	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)[C@H](c1ccccc1)N1CC[NH+](C)CC1	ZINC000264011779	328984341	/nfs/dbraw/zinc/98/43/41/328984341.db2.gz	OWDIBJVXINQTAG-FQEVSTJZSA-N	1	1	364.449	2.494	20	30		FEEDMO
COCC[N@H+]1CCCN(C(=O)CCCCOc2cccc(C#N)c2)CC1	ZINC000264667101	329046234	/nfs/dbraw/zinc/04/62/34/329046234.db2.gz	KSPVBSDWVRMPKL-UHFFFAOYSA-N	1	1	359.470	2.288	20	30		FEEDMO
CNC(=O)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000266962095	329277445	/nfs/dbraw/zinc/27/74/45/329277445.db2.gz	XVXNHOGATYZWHV-LBPRGKRZSA-N	1	1	362.861	2.387	20	30		FEEDMO
COC(=O)[C@@H]1CC12CC[NH+]([C@H]1CCN(c3sccc3C#N)C1=O)CC2	ZINC000267623807	329344181	/nfs/dbraw/zinc/34/41/81/329344181.db2.gz	QYPKKOMEOCPVJK-KBPBESRZSA-N	1	1	359.451	2.000	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[NH2+]Cc2ccccc21	ZINC000269091775	329484719	/nfs/dbraw/zinc/48/47/19/329484719.db2.gz	OYIJWEQYQMAYAZ-UHFFFAOYSA-N	1	1	350.422	2.345	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1	ZINC000276014206	330111518	/nfs/dbraw/zinc/11/15/18/330111518.db2.gz	HHWLIZQYSZBPKH-CQSZACIVSA-N	1	1	370.453	2.051	20	30		FEEDMO
COc1cc(C[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)ccc1C#N	ZINC000281810525	330176155	/nfs/dbraw/zinc/17/61/55/330176155.db2.gz	VZFBNVVMFUNHCC-UHFFFAOYSA-N	1	1	359.451	2.107	20	30		FEEDMO
N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccn4)C3)n2c1	ZINC000367226403	330232936	/nfs/dbraw/zinc/23/29/36/330232936.db2.gz	LRUPJHJUPVJGHR-MRXNPFEDSA-N	1	1	360.421	2.452	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)NC2CCOCC2)[C@@H]1c1cnn(C)c1	ZINC000328617418	521614520	/nfs/dbraw/zinc/61/45/20/521614520.db2.gz	CSMDSAMCARXHHV-MAUKXSAKSA-N	1	1	363.506	2.218	20	30		FEEDMO
CCOc1cc(C#N)cc(Cl)c1OC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000555564179	674367084	/nfs/dbraw/zinc/36/70/84/674367084.db2.gz	BSDMIVDGJSSUEN-KCQAQPDRSA-N	1	1	368.861	2.459	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCCOc1ccc(F)cc1	ZINC000155532159	545539719	/nfs/dbraw/zinc/53/97/19/545539719.db2.gz	YOOSWTXEXCOAHO-OAHLLOKOSA-N	1	1	355.417	2.467	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCCOc1ccc(F)cc1	ZINC000155532159	545539725	/nfs/dbraw/zinc/53/97/25/545539725.db2.gz	YOOSWTXEXCOAHO-OAHLLOKOSA-N	1	1	355.417	2.467	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1	ZINC000155595487	545546386	/nfs/dbraw/zinc/54/63/86/545546386.db2.gz	IUAUOPVILSWOCK-CQSZACIVSA-N	1	1	362.861	2.387	20	30		FEEDMO
N#Cc1cccc(OCCC[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)c1	ZINC000156047824	545595844	/nfs/dbraw/zinc/59/58/44/545595844.db2.gz	WXKLHPXXJQSZLN-IBGZPJMESA-N	1	1	357.454	2.040	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N	ZINC000156200712	545607803	/nfs/dbraw/zinc/60/78/03/545607803.db2.gz	LYGGVXBZRNQJTC-ZDUSSCGKSA-N	1	1	366.443	2.009	20	30		FEEDMO
COc1ccc(OC)c(C[N@@H+](CCO)C[C@@H](O)c2ccc(C#N)cc2)c1	ZINC000156337012	545619222	/nfs/dbraw/zinc/61/92/22/545619222.db2.gz	VHYABFAFRWPATB-LJQANCHMSA-N	1	1	356.422	2.103	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)cc1	ZINC000156559622	545635848	/nfs/dbraw/zinc/63/58/48/545635848.db2.gz	LJHPUROJNPBEEA-UHFFFAOYSA-N	1	1	366.440	2.245	20	30		FEEDMO
Cc1cccc(C[NH+]2CCN(C(=O)CN(CC#N)C3CCCC3)CC2)c1	ZINC000156641779	545641866	/nfs/dbraw/zinc/64/18/66/545641866.db2.gz	QDWVFLCCRPGGEC-UHFFFAOYSA-N	1	1	354.498	2.407	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000156739345	545653857	/nfs/dbraw/zinc/65/38/57/545653857.db2.gz	SDKMYBFTAYISBP-JSGCOSHPSA-N	1	1	374.510	2.236	20	30		FEEDMO
C[C@@H](CC#N)NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000159655009	545970603	/nfs/dbraw/zinc/97/06/03/545970603.db2.gz	RMOZEPZYMWGZEB-HNNXBMFYSA-N	1	1	355.442	2.397	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](C)CC1	ZINC000162091458	546136543	/nfs/dbraw/zinc/13/65/43/546136543.db2.gz	AMTBSKSCFYBLIJ-CQSZACIVSA-N	1	1	360.483	2.041	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1	ZINC000479097162	561181537	/nfs/dbraw/zinc/18/15/37/561181537.db2.gz	KCFGLBPHPHFXJX-UHFFFAOYSA-N	1	1	365.477	2.449	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(Br)s2)CC1	ZINC000171537646	546214184	/nfs/dbraw/zinc/21/41/84/546214184.db2.gz	VMJGGNXEOKIFKZ-UHFFFAOYSA-N	1	1	365.318	2.439	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000174244091	546294058	/nfs/dbraw/zinc/29/40/58/546294058.db2.gz	KEGYVDMLFGEZRY-CQSZACIVSA-N	1	1	360.414	2.199	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1	ZINC000175846908	546361757	/nfs/dbraw/zinc/36/17/57/546361757.db2.gz	DYBAYYPEAXGCIB-DOTOQJQBSA-N	1	1	370.478	2.285	20	30		FEEDMO
C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1	ZINC000176047559	546395810	/nfs/dbraw/zinc/39/58/10/546395810.db2.gz	OWJONTALCGMGAC-GOSISDBHSA-N	1	1	361.445	2.093	20	30		FEEDMO
CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000481067214	561224412	/nfs/dbraw/zinc/22/44/12/561224412.db2.gz	FLTNJORBQHJGJX-INIZCTEOSA-N	1	1	353.463	2.333	20	30		FEEDMO
C=CCOc1ccc(C[N@H+](Cc2cc(=O)n(C)c(=O)n2C)C(C)(C)C)cc1	ZINC000177849062	546695093	/nfs/dbraw/zinc/69/50/93/546695093.db2.gz	VCSGVSBZIADPQA-UHFFFAOYSA-N	1	1	371.481	2.450	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+](CC)CC(=O)Nc1ccc(N2CCOCC2)cc1	ZINC000178026601	546725487	/nfs/dbraw/zinc/72/54/87/546725487.db2.gz	IRPOECBYUVRUMP-IBGZPJMESA-N	1	1	361.486	2.111	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F	ZINC000483084291	561266862	/nfs/dbraw/zinc/26/68/62/561266862.db2.gz	DKJBVOFIKAOSDT-CJNGLKHVSA-N	1	1	373.375	2.263	20	30		FEEDMO
COC(=O)CC[N@@H+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C)C1	ZINC000181165261	547261716	/nfs/dbraw/zinc/26/17/16/547261716.db2.gz	NTAQRCGMGFMJSI-AEFFLSMTSA-N	1	1	372.469	2.310	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)[C@H](C)C1	ZINC000181165261	547261725	/nfs/dbraw/zinc/26/17/25/547261725.db2.gz	NTAQRCGMGFMJSI-AEFFLSMTSA-N	1	1	372.469	2.310	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c1	ZINC000483308927	561273833	/nfs/dbraw/zinc/27/38/33/561273833.db2.gz	RCJASRXGGPSMQX-PKOBYXMFSA-N	1	1	359.470	2.022	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c1	ZINC000483308927	561273834	/nfs/dbraw/zinc/27/38/34/561273834.db2.gz	RCJASRXGGPSMQX-PKOBYXMFSA-N	1	1	359.470	2.022	20	30		FEEDMO
COC1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CCC1	ZINC000181511494	547327169	/nfs/dbraw/zinc/32/71/69/547327169.db2.gz	FFOOLSZVBBGLKM-UHFFFAOYSA-N	1	1	356.470	2.345	20	30		FEEDMO
N#Cc1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1	ZINC000181573681	547338611	/nfs/dbraw/zinc/33/86/11/547338611.db2.gz	QRQIACYWQGKYFH-FQEVSTJZSA-N	1	1	364.449	2.124	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)CN2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c1C	ZINC000182091910	547435488	/nfs/dbraw/zinc/43/54/88/547435488.db2.gz	MFUVXWMRZHNUDA-INIZCTEOSA-N	1	1	361.486	2.043	20	30		FEEDMO
C=CCn1c(C)cc(C(=O)CN2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c1C	ZINC000182091910	547435490	/nfs/dbraw/zinc/43/54/90/547435490.db2.gz	MFUVXWMRZHNUDA-INIZCTEOSA-N	1	1	361.486	2.043	20	30		FEEDMO
Cc1oc(NC(=O)C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)c(C#N)c1C	ZINC000183082260	547597740	/nfs/dbraw/zinc/59/77/40/547597740.db2.gz	PWTCHTIHCWMLRB-LMKMVOKYSA-N	1	1	359.451	2.416	20	30		FEEDMO
COC(C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCCO)OC	ZINC000183661105	547697394	/nfs/dbraw/zinc/69/73/94/547697394.db2.gz	OPZQBYYSUFYZJY-UHFFFAOYSA-N	1	1	361.360	2.240	20	30		FEEDMO
COC(C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCCO)OC	ZINC000183661105	547697396	/nfs/dbraw/zinc/69/73/96/547697396.db2.gz	OPZQBYYSUFYZJY-UHFFFAOYSA-N	1	1	361.360	2.240	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C	ZINC000184622580	547855150	/nfs/dbraw/zinc/85/51/50/547855150.db2.gz	NFNNXLZEFBSUKO-KRWDZBQOSA-N	1	1	360.458	2.387	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1	ZINC000184974215	547910291	/nfs/dbraw/zinc/91/02/91/547910291.db2.gz	ZVXDGQDIZZWLPX-GOSISDBHSA-N	1	1	372.469	2.032	20	30		FEEDMO
CC[N@@H+](CCO)CCNC(=O)Nc1ccccc1SC[C@H](C)C#N	ZINC000185416415	547981835	/nfs/dbraw/zinc/98/18/35/547981835.db2.gz	BHOXRBZGCJABED-CQSZACIVSA-N	1	1	350.488	2.374	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H](CCC#N)c1ccccc1	ZINC000185883344	548050248	/nfs/dbraw/zinc/05/02/48/548050248.db2.gz	PDCFCPOQHFJNFQ-MJGOQNOKSA-N	1	1	357.502	2.357	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000186037511	548076732	/nfs/dbraw/zinc/07/67/32/548076732.db2.gz	RVVJYCDYOAKACX-OAHLLOKOSA-N	1	1	360.506	2.262	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000186760468	548187621	/nfs/dbraw/zinc/18/76/21/548187621.db2.gz	BJNSIUVRVQLIFZ-UHFFFAOYSA-N	1	1	367.415	2.199	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCCCOc1cccc(C#N)c1	ZINC000186882734	548211891	/nfs/dbraw/zinc/21/18/91/548211891.db2.gz	JKABNIUDDDEUBT-QGZVFWFLSA-N	1	1	373.497	2.411	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1	ZINC000186947870	548226442	/nfs/dbraw/zinc/22/64/42/548226442.db2.gz	OUVMPNZVWOCFPO-INIZCTEOSA-N	1	1	361.461	2.203	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1	ZINC000187014508	548240561	/nfs/dbraw/zinc/24/05/61/548240561.db2.gz	LRFDXEOEUVOULB-VQIMIIECSA-N	1	1	358.486	2.223	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1	ZINC000188079907	548270361	/nfs/dbraw/zinc/27/03/61/548270361.db2.gz	GGLIZYQYOKMIIK-INIZCTEOSA-N	1	1	357.454	2.416	20	30		FEEDMO
N#CCCN(C(=O)[C@H]1CCCc2[nH+]ccn21)c1ccc2c(c1)OCCO2	ZINC000486181080	561340326	/nfs/dbraw/zinc/34/03/26/561340326.db2.gz	BLGFRZOCFHQSIG-OAHLLOKOSA-N	1	1	352.394	2.479	20	30		FEEDMO
COCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1	ZINC000189703007	548307151	/nfs/dbraw/zinc/30/71/51/548307151.db2.gz	CCVATEMPDCXKPG-MJGOQNOKSA-N	1	1	359.470	2.368	20	30		FEEDMO
COCCO[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1	ZINC000189703007	548307154	/nfs/dbraw/zinc/30/71/54/548307154.db2.gz	CCVATEMPDCXKPG-MJGOQNOKSA-N	1	1	359.470	2.368	20	30		FEEDMO
C=CCNC(=O)C[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1	ZINC000192342382	548362883	/nfs/dbraw/zinc/36/28/83/548362883.db2.gz	VJDIRJXGEVMMOJ-UHFFFAOYSA-N	1	1	356.426	2.227	20	30		FEEDMO
N#Cc1ccccc1N1CCCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1	ZINC000194093389	548434181	/nfs/dbraw/zinc/43/41/81/548434181.db2.gz	IOCQZQOBVKAGLP-KRWDZBQOSA-N	1	1	367.497	2.264	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2CC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000194572488	548500694	/nfs/dbraw/zinc/50/06/94/548500694.db2.gz	MONONSRNRZBOBT-FCEWJHQRSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2CC(=O)Nc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000194572488	548500699	/nfs/dbraw/zinc/50/06/99/548500699.db2.gz	MONONSRNRZBOBT-FCEWJHQRSA-N	1	1	356.470	2.070	20	30		FEEDMO
COc1cc(C)nc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1	ZINC000486889751	561359074	/nfs/dbraw/zinc/35/90/74/561359074.db2.gz	YJASTZSEDWZCTD-IBGZPJMESA-N	1	1	350.422	2.161	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@@H](C)C1	ZINC000246461351	549139011	/nfs/dbraw/zinc/13/90/11/549139011.db2.gz	FYEBJMIGXKTTNU-XHDPSFHLSA-N	1	1	357.426	2.187	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1	ZINC000488656009	561394013	/nfs/dbraw/zinc/39/40/13/561394013.db2.gz	DUDMEIZSRHDWOG-SFHVURJKSA-N	1	1	359.470	2.379	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1	ZINC000488656009	561394014	/nfs/dbraw/zinc/39/40/14/561394014.db2.gz	DUDMEIZSRHDWOG-SFHVURJKSA-N	1	1	359.470	2.379	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccn(CCC#N)n1	ZINC000246726401	549197890	/nfs/dbraw/zinc/19/78/90/549197890.db2.gz	MMBVRGPKFMLCLS-DOTOQJQBSA-N	1	1	367.457	2.224	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(F)c(C#N)c2)C1	ZINC000488860954	561398267	/nfs/dbraw/zinc/39/82/67/561398267.db2.gz	YCLANHQXQZJZIB-OKILXGFUSA-N	1	1	353.463	2.344	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000247012282	549264354	/nfs/dbraw/zinc/26/43/54/549264354.db2.gz	XLIZXLZUVVJZCA-FXAWDEMLSA-N	1	1	373.522	2.281	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000249404577	549588873	/nfs/dbraw/zinc/58/88/73/549588873.db2.gz	UFFLMZAOJBIFLS-ZWKOTPCHSA-N	1	1	372.513	2.099	20	30		FEEDMO
Cc1ccc(NC(=[NH2+])NCc2ccnc(N3CCN(C)CC3)c2)cc1C	ZINC000264142323	549984437	/nfs/dbraw/zinc/98/44/37/549984437.db2.gz	WXZQTRGMNOGYQT-UHFFFAOYSA-N	1	1	352.486	2.377	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1	ZINC000264598610	549998554	/nfs/dbraw/zinc/99/85/54/549998554.db2.gz	VGWABEKGNITFFJ-MOPGFXCFSA-N	1	1	368.481	2.456	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000491114235	561443069	/nfs/dbraw/zinc/44/30/69/561443069.db2.gz	UVHWUTGDWJPJEI-RDJZCZTQSA-N	1	1	359.474	2.236	20	30		FEEDMO
CC[N@H+]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1	ZINC000265830972	550014424	/nfs/dbraw/zinc/01/44/24/550014424.db2.gz	KTYKRZOBAGZLOL-QGZVFWFLSA-N	1	1	358.486	2.358	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1	ZINC000265997266	550016160	/nfs/dbraw/zinc/01/61/60/550016160.db2.gz	MCPIXASCDRWUGX-FQEVSTJZSA-N	1	1	372.469	2.097	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)NC1CC[NH+](CCOC)CC1	ZINC000266064594	550016642	/nfs/dbraw/zinc/01/66/42/550016642.db2.gz	BMIPOOBXHHOIDZ-MRXNPFEDSA-N	1	1	365.543	2.352	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)no1	ZINC000266087616	550016693	/nfs/dbraw/zinc/01/66/93/550016693.db2.gz	HMNHVLQMEQXBPB-KRWDZBQOSA-N	1	1	353.426	2.127	20	30		FEEDMO
C=CCOCCCC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000266400619	550019959	/nfs/dbraw/zinc/01/99/59/550019959.db2.gz	YJIOYLRITRCTAY-UHFFFAOYSA-N	1	1	361.486	2.115	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000268394568	550058494	/nfs/dbraw/zinc/05/84/94/550058494.db2.gz	YHRVPWAOHAKSAV-FOIQADDNSA-N	1	1	373.453	2.215	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000268394568	550058496	/nfs/dbraw/zinc/05/84/96/550058496.db2.gz	YHRVPWAOHAKSAV-FOIQADDNSA-N	1	1	373.453	2.215	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(OCC#N)c2)C1	ZINC000269559441	550206436	/nfs/dbraw/zinc/20/64/36/550206436.db2.gz	ILSYUBGPJJIUNO-INIZCTEOSA-N	1	1	372.469	2.012	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(F)cc1C#N)c1ccsc1	ZINC000269665837	550215148	/nfs/dbraw/zinc/21/51/48/550215148.db2.gz	NFIVUSSJLRICKF-AWEZNQCLSA-N	1	1	353.444	2.340	20	30		FEEDMO
N#CCc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1	ZINC000270871090	550315780	/nfs/dbraw/zinc/31/57/80/550315780.db2.gz	ODHIQTHIZRYQQP-SFTDATJTSA-N	1	1	363.461	2.365	20	30		FEEDMO
C=CCOc1c(Br)cc(C[N@@H+](CCO)CCCO)cc1OC	ZINC000271210040	550353392	/nfs/dbraw/zinc/35/33/92/550353392.db2.gz	XTRQYHUNABUCIF-UHFFFAOYSA-N	1	1	374.275	2.199	20	30		FEEDMO
Cc1cc(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)nn1CCC#N	ZINC000272138676	550424771	/nfs/dbraw/zinc/42/47/71/550424771.db2.gz	WBXFMHWRPUQQOB-HUUCEWRRSA-N	1	1	362.478	2.115	20	30		FEEDMO
C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000272405825	550444819	/nfs/dbraw/zinc/44/48/19/550444819.db2.gz	KPQURQZRTKWBML-WBVHZDCISA-N	1	1	370.478	2.142	20	30		FEEDMO
CC1(C#N)CCN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1	ZINC000272432522	550447674	/nfs/dbraw/zinc/44/76/74/550447674.db2.gz	PGJFERDOMQOEHX-UHFFFAOYSA-N	1	1	373.476	2.283	20	30		FEEDMO
CN(CCC#N)c1ccc(C[NH+]2CCN(c3ncc(F)cn3)CC2)cc1	ZINC000273797362	550511603	/nfs/dbraw/zinc/51/16/03/550511603.db2.gz	WLOZGKBFUIUDBN-UHFFFAOYSA-N	1	1	354.433	2.288	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CCSC)c1nnc2ccccn21	ZINC000274096554	550523025	/nfs/dbraw/zinc/52/30/25/550523025.db2.gz	ULJJEXOCPDWFSA-HUUCEWRRSA-N	1	1	374.514	2.121	20	30		FEEDMO
COc1cc(-c2nnc(CO[NH+]=C(N)C(C)C)o2)cc(OC)c1OC	ZINC000274747778	550551756	/nfs/dbraw/zinc/55/17/56/550551756.db2.gz	OYPYAXNTNBITMP-UHFFFAOYSA-N	1	1	350.375	2.207	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1	ZINC000275193114	550570866	/nfs/dbraw/zinc/57/08/66/550570866.db2.gz	DIJBQMYRPYWCAT-CYBMUJFWSA-N	1	1	370.371	2.007	20	30		FEEDMO
C=CCOc1ccc(C[N@H+](C)CCOCCOCCOC)cc1OC	ZINC000276153576	550576995	/nfs/dbraw/zinc/57/69/95/550576995.db2.gz	GUVPOWDZCCRNCV-UHFFFAOYSA-N	1	1	353.459	2.371	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1ccccc1SCCC#N)C1=CC[N@@H+](C)CC1	ZINC000276190369	550577282	/nfs/dbraw/zinc/57/72/82/550577282.db2.gz	UUBJUBUEFYLRFB-CQSZACIVSA-N	1	1	372.494	2.397	20	30		FEEDMO
C[C@@H]1COCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000277516778	550679904	/nfs/dbraw/zinc/67/99/04/550679904.db2.gz	OXHLAQSWMUREMO-VQIMIIECSA-N	1	1	356.470	2.201	20	30		FEEDMO
CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000277749103	550709736	/nfs/dbraw/zinc/70/97/36/550709736.db2.gz	LJVMPDOZJZDDRO-FQEVSTJZSA-N	1	1	367.453	2.309	20	30		FEEDMO
CCC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000277749103	550709738	/nfs/dbraw/zinc/70/97/38/550709738.db2.gz	LJVMPDOZJZDDRO-FQEVSTJZSA-N	1	1	367.453	2.309	20	30		FEEDMO
C[C@@](C#N)(NC(=O)CN1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1	ZINC000278828423	550826435	/nfs/dbraw/zinc/82/64/35/550826435.db2.gz	IDSAWYJZQRFRKL-FQEVSTJZSA-N	1	1	355.486	2.207	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CC)CCC(=O)Nc2ccccc2[N+](=O)[O-])n1	ZINC000279645756	550912020	/nfs/dbraw/zinc/91/20/20/550912020.db2.gz	ASNWAHZGMCBJTL-UHFFFAOYSA-N	1	1	355.398	2.275	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CC)CCC(=O)Nc2ccccc2[N+](=O)[O-])n1	ZINC000279645756	550912021	/nfs/dbraw/zinc/91/20/21/550912021.db2.gz	ASNWAHZGMCBJTL-UHFFFAOYSA-N	1	1	355.398	2.275	20	30		FEEDMO
C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC000279655298	550913109	/nfs/dbraw/zinc/91/31/09/550913109.db2.gz	DZWJQKDDCWECAE-AWEZNQCLSA-N	1	1	368.437	2.130	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(-c2cccc(C#N)c2)no1	ZINC000279655298	550913110	/nfs/dbraw/zinc/91/31/10/550913110.db2.gz	DZWJQKDDCWECAE-AWEZNQCLSA-N	1	1	368.437	2.130	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1CC(C)(C)O	ZINC000279762821	550926192	/nfs/dbraw/zinc/92/61/92/550926192.db2.gz	PLSQGTMQSJFUMK-CQSZACIVSA-N	1	1	368.437	2.130	20	30		FEEDMO
C[C@@H]1CN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@H+]1CC(C)(C)O	ZINC000279762821	550926193	/nfs/dbraw/zinc/92/61/93/550926193.db2.gz	PLSQGTMQSJFUMK-CQSZACIVSA-N	1	1	368.437	2.130	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C[C@H](C)O1	ZINC000280172607	550967814	/nfs/dbraw/zinc/96/78/14/550967814.db2.gz	CKMBFCOWZHLBRQ-QKLQHJQFSA-N	1	1	368.481	2.246	20	30		FEEDMO
C[C@H]1OCC[C@@]12C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCO2	ZINC000280472339	550997842	/nfs/dbraw/zinc/99/78/42/550997842.db2.gz	PBGGSHIVOHACER-FZKQIMNGSA-N	1	1	363.845	2.420	20	30		FEEDMO
C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(Br)cn1	ZINC000280497712	551000697	/nfs/dbraw/zinc/00/06/97/551000697.db2.gz	MRWSILLVBWQKDD-BONVTDFDSA-N	1	1	351.248	2.303	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000280840955	551037948	/nfs/dbraw/zinc/03/79/48/551037948.db2.gz	XJGZJWDZSNBDSV-HNNXBMFYSA-N	1	1	366.421	2.409	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)CCOc2ccc3c(C)cc(=O)oc3c2)C1=O	ZINC000281180148	551071187	/nfs/dbraw/zinc/07/11/87/551071187.db2.gz	AWYTWYPEGIITOM-KRWDZBQOSA-N	1	1	356.422	2.199	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1=O	ZINC000281500476	551105701	/nfs/dbraw/zinc/10/57/01/551105701.db2.gz	XZLFUFIJULRGQC-GDBMZVCRSA-N	1	1	372.387	2.164	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCCN(c3cc(OC)cc(OC)c3)CC2)C1=O	ZINC000282027840	551171645	/nfs/dbraw/zinc/17/16/45/551171645.db2.gz	PTZMRZQGZRPBHU-IBGZPJMESA-N	1	1	359.470	2.003	20	30		FEEDMO
C=CCn1c(-c2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000282302702	551208990	/nfs/dbraw/zinc/20/89/90/551208990.db2.gz	OUZQVKLPCXGPBJ-KRWDZBQOSA-N	1	1	353.470	2.290	20	30		FEEDMO
CC[NH+](CC)[C@H](CNS(=O)(=O)N(C)C[C@H](C)C#N)c1ccsc1	ZINC000282959356	551289943	/nfs/dbraw/zinc/28/99/43/551289943.db2.gz	VWIIWOKKFHXVNB-UKRRQHHQSA-N	1	1	358.533	2.057	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1	ZINC000283037478	551301573	/nfs/dbraw/zinc/30/15/73/551301573.db2.gz	QWVAJIQTYURMRV-SJORKVTESA-N	1	1	364.515	2.062	20	30		FEEDMO
CCOCCCn1c(C)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000283646130	551402394	/nfs/dbraw/zinc/40/23/94/551402394.db2.gz	PFYHMJPGMVZSAR-UHFFFAOYSA-N	1	1	368.485	2.207	20	30		FEEDMO
C[C@H](NC(=O)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1	ZINC000283974822	551460415	/nfs/dbraw/zinc/46/04/15/551460415.db2.gz	LRVXGGWHSDZICE-IRXDYDNUSA-N	1	1	370.497	2.364	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)[C@H]2CCCN(c3nc(C)ccc3C#N)C2)C[C@H]1C	ZINC000498572147	561529054	/nfs/dbraw/zinc/52/90/54/561529054.db2.gz	OAAUIXURUMVZAU-AOIWGVFYSA-N	1	1	369.513	2.419	20	30		FEEDMO
CC(C)[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)N1CC[NH+](C)CC1	ZINC000285360726	551743547	/nfs/dbraw/zinc/74/35/47/551743547.db2.gz	AJPAKBKTDVBTAY-IBGZPJMESA-N	1	1	374.504	2.363	20	30		FEEDMO
N#CC1(CS(=O)(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCCC1	ZINC000498909372	561537500	/nfs/dbraw/zinc/53/75/00/561537500.db2.gz	WHOJACVVVGKBDY-HNNXBMFYSA-N	1	1	351.472	2.420	20	30		FEEDMO
CC(C)[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[NH+]1CCOCC1	ZINC000285607840	551782500	/nfs/dbraw/zinc/78/25/00/551782500.db2.gz	WITUBGLFSXVZME-SFHVURJKSA-N	1	1	361.461	2.448	20	30		FEEDMO
C=CCN(CCc1ccccc1)C(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1	ZINC000285722977	551800932	/nfs/dbraw/zinc/80/09/32/551800932.db2.gz	DKNAXRTVLXOIPH-FQEVSTJZSA-N	1	1	371.525	2.480	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21	ZINC000286065171	551844688	/nfs/dbraw/zinc/84/46/88/551844688.db2.gz	RRLKXAPTYZSBBD-AABGKKOBSA-N	1	1	366.465	2.147	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286246619	551865388	/nfs/dbraw/zinc/86/53/88/551865388.db2.gz	MJSQLLWQEJTFRL-KYJSFNMBSA-N	1	1	358.461	2.322	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1	ZINC000286684071	551914492	/nfs/dbraw/zinc/91/44/92/551914492.db2.gz	FTKSEYHLKBLGGC-QGZVFWFLSA-N	1	1	360.502	2.077	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)NC2CC[NH+](CCN(C)C)CC2)cc1	ZINC000287095566	551963089	/nfs/dbraw/zinc/96/30/89/551963089.db2.gz	MWRWEXJGXULJAJ-UHFFFAOYSA-N	1	1	360.502	2.077	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000287106834	551964076	/nfs/dbraw/zinc/96/40/76/551964076.db2.gz	LYVBODXAQFUZKF-OAHLLOKOSA-N	1	1	369.387	2.040	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000287106834	551964077	/nfs/dbraw/zinc/96/40/77/551964077.db2.gz	LYVBODXAQFUZKF-OAHLLOKOSA-N	1	1	369.387	2.040	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)o1	ZINC000287680064	552033573	/nfs/dbraw/zinc/03/35/73/552033573.db2.gz	DQJRTIUHTXMYBY-INIZCTEOSA-N	1	1	359.451	2.294	20	30		FEEDMO
COCCOCCOCC[N@H+](C)Cc1ccc(Br)cc1C#N	ZINC000287948722	552067092	/nfs/dbraw/zinc/06/70/92/552067092.db2.gz	XXOMLTFSXZCXEY-UHFFFAOYSA-N	1	1	371.275	2.432	20	30		FEEDMO
COCCOCCOCC[N@@H+](C)Cc1ccc(Br)cc1C#N	ZINC000287948722	552067094	/nfs/dbraw/zinc/06/70/94/552067094.db2.gz	XXOMLTFSXZCXEY-UHFFFAOYSA-N	1	1	371.275	2.432	20	30		FEEDMO
Cc1nsc(NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1C#N	ZINC000288112745	552093216	/nfs/dbraw/zinc/09/32/16/552093216.db2.gz	KUUZEZOCDSAVNO-UHFFFAOYSA-N	1	1	355.467	2.323	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[C@H](C)C1	ZINC000288350985	552138718	/nfs/dbraw/zinc/13/87/18/552138718.db2.gz	JBLYGLDNEDOESM-OAHLLOKOSA-N	1	1	358.461	2.466	20	30		FEEDMO
COCC[N@@H+](C)CC[C@@H](NC(=O)Cc1noc(C)c1C#N)c1ccccc1	ZINC000499960970	561563016	/nfs/dbraw/zinc/56/30/16/561563016.db2.gz	VPKSNEORFDAASF-GOSISDBHSA-N	1	1	370.453	2.223	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)Cc2cc3c(c(Br)c2)OCO3)C1=O	ZINC000500015559	561564130	/nfs/dbraw/zinc/56/41/30/561564130.db2.gz	DSADALXTKASRCW-ZDUSSCGKSA-N	1	1	367.243	2.397	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)C1=O	ZINC000500015559	561564131	/nfs/dbraw/zinc/56/41/31/561564131.db2.gz	DSADALXTKASRCW-ZDUSSCGKSA-N	1	1	367.243	2.397	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1OC	ZINC000289570274	552342575	/nfs/dbraw/zinc/34/25/75/552342575.db2.gz	JMKNINBYVCHRIE-YWZLYKJASA-N	1	1	373.453	2.213	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1	ZINC000289852113	552389411	/nfs/dbraw/zinc/38/94/11/552389411.db2.gz	VBNKVLXBCXRKFA-KRWDZBQOSA-N	1	1	355.482	2.358	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1	ZINC000289875546	552392791	/nfs/dbraw/zinc/39/27/91/552392791.db2.gz	RCSYXUZROYTNPD-CVEARBPZSA-N	1	1	362.499	2.228	20	30		FEEDMO
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccnc1C#N	ZINC000290026120	552416021	/nfs/dbraw/zinc/41/60/21/552416021.db2.gz	BKMUUOBRTKSZFH-QAPCUYQASA-N	1	1	368.462	2.258	20	30		FEEDMO
CO[C@H]1COC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1	ZINC000290104220	552428232	/nfs/dbraw/zinc/42/82/32/552428232.db2.gz	IYFIKTFKYUVGHE-ROUUACIJSA-N	1	1	374.485	2.424	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nnc(-c2ccc(C#N)cc2)n1C	ZINC000290138599	552433374	/nfs/dbraw/zinc/43/33/74/552433374.db2.gz	FZUMKVMWBREIIO-OAHLLOKOSA-N	1	1	366.469	2.043	20	30		FEEDMO
N#Cc1cncc(S(=O)(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1	ZINC000291036396	552578918	/nfs/dbraw/zinc/57/89/18/552578918.db2.gz	ZLEHBBFKXQNYLW-UHFFFAOYSA-N	1	1	356.451	2.392	20	30		FEEDMO
C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@H+](C2CCCC2)CC1	ZINC000291048394	552580454	/nfs/dbraw/zinc/58/04/54/552580454.db2.gz	ORNRKIJLMVNGNM-UHFFFAOYSA-N	1	1	374.533	2.447	20	30		FEEDMO
N#Cc1ccccc1N1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1	ZINC000291659358	552648098	/nfs/dbraw/zinc/64/80/98/552648098.db2.gz	JANJAHIRLXQQFQ-UHFFFAOYSA-N	1	1	365.437	2.104	20	30		FEEDMO
C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccco1	ZINC000291776683	552660821	/nfs/dbraw/zinc/66/08/21/552660821.db2.gz	WBTKRTSPSYPPLD-HZPDHXFCSA-N	1	1	369.425	2.012	20	30		FEEDMO
CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292142545	552697759	/nfs/dbraw/zinc/69/77/59/552697759.db2.gz	JPMNAUJXUCBTSZ-GOSISDBHSA-N	1	1	350.422	2.065	20	30		FEEDMO
CN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292142545	552697760	/nfs/dbraw/zinc/69/77/60/552697760.db2.gz	JPMNAUJXUCBTSZ-GOSISDBHSA-N	1	1	350.422	2.065	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OCC#N	ZINC000292431130	552726206	/nfs/dbraw/zinc/72/62/06/552726206.db2.gz	WCTFPHWBJFVYHY-PEAOBZDDSA-N	1	1	355.438	2.165	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1	ZINC000292601887	552742096	/nfs/dbraw/zinc/74/20/96/552742096.db2.gz	NCYGXYVRMASBJM-ROUUACIJSA-N	1	1	371.485	2.094	20	30		FEEDMO
N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3N3CCOCC3)C2)nc1	ZINC000292702900	552751057	/nfs/dbraw/zinc/75/10/57/552751057.db2.gz	COEFDRTVPBZICJ-IBGZPJMESA-N	1	1	364.449	2.443	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC2(C1)C[N@H+](Cc1ccc(OCC#N)cc1)CCO2	ZINC000292715269	552752232	/nfs/dbraw/zinc/75/22/32/552752232.db2.gz	LPVGLICMNLANEW-UHFFFAOYSA-N	1	1	373.453	2.411	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](Cc1ccc(OCC#N)cc1)CCO2	ZINC000292715269	552752233	/nfs/dbraw/zinc/75/22/33/552752233.db2.gz	LPVGLICMNLANEW-UHFFFAOYSA-N	1	1	373.453	2.411	20	30		FEEDMO
C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000292857746	552765541	/nfs/dbraw/zinc/76/55/41/552765541.db2.gz	GPPLLIZSSYOLEV-DLBZAZTESA-N	1	1	374.533	2.111	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1	ZINC000293535927	552833175	/nfs/dbraw/zinc/83/31/75/552833175.db2.gz	OCBQNLQORWYKRY-SOUVJXGZSA-N	1	1	374.510	2.428	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1	ZINC000293535927	552833177	/nfs/dbraw/zinc/83/31/77/552833177.db2.gz	OCBQNLQORWYKRY-SOUVJXGZSA-N	1	1	374.510	2.428	20	30		FEEDMO
C#CCNC(=O)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C1	ZINC000294024785	552876331	/nfs/dbraw/zinc/87/63/31/552876331.db2.gz	HQDCGRYPZYVRJH-ZWKOTPCHSA-N	1	1	371.481	2.119	20	30		FEEDMO
CN(CC[N@@H+](C)CC(C)(C)CCC#N)c1ccc(S(N)(=O)=O)cc1	ZINC000295046475	552954116	/nfs/dbraw/zinc/95/41/16/552954116.db2.gz	NAYDCDFGNITALC-UHFFFAOYSA-N	1	1	352.504	2.032	20	30		FEEDMO
COc1ccc(C[N@@H+](C)[C@H]2CCN3CCO[C@H]2C3)cc1OCCCC#N	ZINC000295115679	552960399	/nfs/dbraw/zinc/96/03/99/552960399.db2.gz	MLGJWCYUYPAGPW-PXNSSMCTSA-N	1	1	359.470	2.283	20	30		FEEDMO
C#CCO[C@H](C)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000295413737	553002538	/nfs/dbraw/zinc/00/25/38/553002538.db2.gz	DIKJFUVYADKMJB-SJLPKXTDSA-N	1	1	352.438	2.307	20	30		FEEDMO
Cn1cc[nH+]c1N1CCN(C(=O)c2ccc(Br)cc2C#N)CC1	ZINC000295483674	553014426	/nfs/dbraw/zinc/01/44/26/553014426.db2.gz	PTTAJFZQVYBQRG-UHFFFAOYSA-N	1	1	374.242	2.017	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)c1cc(OC)c(OC)cc1Br	ZINC000295517625	553019379	/nfs/dbraw/zinc/01/93/79/553019379.db2.gz	QAKLDHDYYZLOOY-UHFFFAOYSA-N	1	1	369.259	2.151	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1	ZINC000295735199	553052157	/nfs/dbraw/zinc/05/21/57/553052157.db2.gz	WHNABQPFYPMDJI-LSDHHAIUSA-N	1	1	356.470	2.499	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1	ZINC000295735199	553052159	/nfs/dbraw/zinc/05/21/59/553052159.db2.gz	WHNABQPFYPMDJI-LSDHHAIUSA-N	1	1	356.470	2.499	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1	ZINC000295735193	553052179	/nfs/dbraw/zinc/05/21/79/553052179.db2.gz	WHNABQPFYPMDJI-CABCVRRESA-N	1	1	356.470	2.499	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1	ZINC000295735193	553052182	/nfs/dbraw/zinc/05/21/82/553052182.db2.gz	WHNABQPFYPMDJI-CABCVRRESA-N	1	1	356.470	2.499	20	30		FEEDMO
CC[N@H+]1CC[C@H]2OCCN(C(=O)CCCCOc3cccc(C#N)c3)[C@H]2C1	ZINC000502630759	561622449	/nfs/dbraw/zinc/62/24/49/561622449.db2.gz	CKOSMKRAFWBVSE-VQTJNVASSA-N	1	1	371.481	2.429	20	30		FEEDMO
C[C@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+](C2CC2)C1	ZINC000296695564	553199472	/nfs/dbraw/zinc/19/94/72/553199472.db2.gz	KFRWRSHBEBYKJM-UZLBHIALSA-N	1	1	352.482	2.470	20	30		FEEDMO
COc1cncnc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000297322274	553277986	/nfs/dbraw/zinc/27/79/86/553277986.db2.gz	CULBUAYNHDCFHW-UHFFFAOYSA-N	1	1	366.425	2.097	20	30		FEEDMO
COc1cncnc1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000297322274	553277989	/nfs/dbraw/zinc/27/79/89/553277989.db2.gz	CULBUAYNHDCFHW-UHFFFAOYSA-N	1	1	366.425	2.097	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)[C@H]1CCNC1=O	ZINC000298419094	553423044	/nfs/dbraw/zinc/42/30/44/553423044.db2.gz	FUMPNMLYFFAJSL-DOMZBBRYSA-N	1	1	374.510	2.284	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000298593026	553445886	/nfs/dbraw/zinc/44/58/86/553445886.db2.gz	ZAYCFEDABSOWEU-HNNXBMFYSA-N	1	1	356.470	2.417	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@@H+]([C@H](C)CCC#N)CC2)cc1	ZINC000298611552	553448962	/nfs/dbraw/zinc/44/89/62/553448962.db2.gz	MFVPDOXZTCESKI-OAHLLOKOSA-N	1	1	351.472	2.084	20	30		FEEDMO
COc1ccc(S(=O)(=O)N2CCC[N@H+]([C@H](C)CCC#N)CC2)cc1	ZINC000298611552	553448965	/nfs/dbraw/zinc/44/89/65/553448965.db2.gz	MFVPDOXZTCESKI-OAHLLOKOSA-N	1	1	351.472	2.084	20	30		FEEDMO
C#CCCN1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1	ZINC000299733712	553609252	/nfs/dbraw/zinc/60/92/52/553609252.db2.gz	YYCQAFIBXUSMCO-UHFFFAOYSA-N	1	1	364.287	2.419	20	30		FEEDMO
N#Cc1cccc(F)c1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000505129591	561666566	/nfs/dbraw/zinc/66/65/66/561666566.db2.gz	JIUJVYIMMIZPIA-UHFFFAOYSA-N	1	1	359.445	2.391	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@H+](C)C(C)(C)C1	ZINC000602953199	553678482	/nfs/dbraw/zinc/67/84/82/553678482.db2.gz	XPOPZIQLEPSRRC-UHFFFAOYSA-N	1	1	353.430	2.005	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000303445309	553745339	/nfs/dbraw/zinc/74/53/39/553745339.db2.gz	GVPYTVMNMIVYIJ-MRXNPFEDSA-N	1	1	373.476	2.403	20	30		FEEDMO
CNC(=O)[C@@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CCO1	ZINC000328602036	553795234	/nfs/dbraw/zinc/79/52/34/553795234.db2.gz	GNKULCBVFOPBQF-LVCYWYKZSA-N	1	1	371.481	2.102	20	30		FEEDMO
CC(=O)N1CCC(CCC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1	ZINC000328714232	553811272	/nfs/dbraw/zinc/81/12/72/553811272.db2.gz	OAOPZFCXMQEWLA-UHFFFAOYSA-N	1	1	352.523	2.008	20	30		FEEDMO
CC[C@@H]1CN(C(=O)N[C@@H]2CCCC23CCOCC3)CC[N@H+]1C[C@H](C)O	ZINC000328822170	553827692	/nfs/dbraw/zinc/82/76/92/553827692.db2.gz	RKHPYZBBZTZSLF-GVDBMIGSSA-N	1	1	353.507	2.027	20	30		FEEDMO
Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000328909081	553843303	/nfs/dbraw/zinc/84/33/03/553843303.db2.gz	DLBHRKDERLPAQD-FGTMMUONSA-N	1	1	372.448	2.488	20	30		FEEDMO
O=C(NC1CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1)c1ccsc1	ZINC000328914651	553843968	/nfs/dbraw/zinc/84/39/68/553843968.db2.gz	QIXNKUPRDVJBGG-CYBMUJFWSA-N	1	1	356.513	2.342	20	30		FEEDMO
O=C(C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)Nc1ccc2c(c1)OCO2	ZINC000328934392	553848097	/nfs/dbraw/zinc/84/80/97/553848097.db2.gz	FENPQCZSMCBKDR-CJNGLKHVSA-N	1	1	371.437	2.479	20	30		FEEDMO
O=C(C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)Nc1ccc2c(c1)OCO2	ZINC000328934392	553848099	/nfs/dbraw/zinc/84/80/99/553848099.db2.gz	FENPQCZSMCBKDR-CJNGLKHVSA-N	1	1	371.437	2.479	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CCCN2CCOCC2)CC1	ZINC000506033125	561687963	/nfs/dbraw/zinc/68/79/63/561687963.db2.gz	VGHHXHIENGZRNV-LJQANCHMSA-N	1	1	363.546	2.400	20	30		FEEDMO
Cc1noc([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC[C@H]3COc4ccccc4O3)C2)n1	ZINC000329023182	553866641	/nfs/dbraw/zinc/86/66/41/553866641.db2.gz	IQMSJIJCQWFTNT-YUELXQCFSA-N	1	1	372.425	2.352	20	30		FEEDMO
Cc1noc([C@@H]2CC[N@H+]([C@H](C)C(=O)NC[C@H]3COc4ccccc4O3)C2)n1	ZINC000329023182	553866643	/nfs/dbraw/zinc/86/66/43/553866643.db2.gz	IQMSJIJCQWFTNT-YUELXQCFSA-N	1	1	372.425	2.352	20	30		FEEDMO
CO[C@H]1C[C@@H](CN(C)[C@@H](C)C(=O)NC(=O)NC2CCCCC2)[N@@H+](C)C1	ZINC000329038421	553868886	/nfs/dbraw/zinc/86/88/86/553868886.db2.gz	RYCKTEMHIXAWCY-BPUTZDHNSA-N	1	1	354.495	2.229	20	30		FEEDMO
CO[C@H]1C[C@@H](C[N@H+](C)[C@@H](C)C(=O)NC(=O)NC2CCCCC2)N(C)C1	ZINC000329038421	553868892	/nfs/dbraw/zinc/86/88/92/553868892.db2.gz	RYCKTEMHIXAWCY-BPUTZDHNSA-N	1	1	354.495	2.229	20	30		FEEDMO
CO[C@H]1C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC2CCCCC2)N(C)C1	ZINC000329038421	553868893	/nfs/dbraw/zinc/86/88/93/553868893.db2.gz	RYCKTEMHIXAWCY-BPUTZDHNSA-N	1	1	354.495	2.229	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)NC2CCSCC2)CCC[N@H+]1C	ZINC000329114168	553882771	/nfs/dbraw/zinc/88/27/71/553882771.db2.gz	HOPLOEIFJKMCRQ-XJKSGUPXSA-N	1	1	351.520	2.202	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C	ZINC000329192790	553899515	/nfs/dbraw/zinc/89/95/15/553899515.db2.gz	SFFYKABYNXPTJI-INMHGKMJSA-N	1	1	366.506	2.373	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C[C@H]1C	ZINC000329221444	553905400	/nfs/dbraw/zinc/90/54/00/553905400.db2.gz	UURRANMYMQSGTD-HLLBOEOZSA-N	1	1	358.461	2.465	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N1CCCC[C@H]1c1ccnn1C)[NH+]1CCOCC1	ZINC000329229358	553906878	/nfs/dbraw/zinc/90/68/78/553906878.db2.gz	JHAIGJRCCURXMX-ROUUACIJSA-N	1	1	363.506	2.218	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N1CCCC[C@@H]1c1ccnn1C)[NH+]1CCOCC1	ZINC000329229356	553906998	/nfs/dbraw/zinc/90/69/98/553906998.db2.gz	JHAIGJRCCURXMX-MSOLQXFVSA-N	1	1	363.506	2.218	20	30		FEEDMO
CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CC[NH+](CC3CC3)CC1)C2	ZINC000329274048	553914973	/nfs/dbraw/zinc/91/49/73/553914973.db2.gz	KFUVFYFUTOUAGR-MRXNPFEDSA-N	1	1	359.518	2.437	20	30		FEEDMO
CC(C)[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCO1	ZINC000329293151	553919160	/nfs/dbraw/zinc/91/91/60/553919160.db2.gz	RNJXUGSTKTWOGQ-QGZVFWFLSA-N	1	1	353.507	2.292	20	30		FEEDMO
Cc1nc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3c3ccccc3)CCO2)no1	ZINC000329357342	553931349	/nfs/dbraw/zinc/93/13/49/553931349.db2.gz	WPGLQVWNQJJHKD-IKGGRYGDSA-N	1	1	371.441	2.111	20	30		FEEDMO
CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCC[NH+]1CCSCC1	ZINC000329415360	553942025	/nfs/dbraw/zinc/94/20/25/553942025.db2.gz	FHVDIVWGKRLEHW-ZDUSSCGKSA-N	1	1	359.561	2.329	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)C1	ZINC000329416207	553942553	/nfs/dbraw/zinc/94/25/53/553942553.db2.gz	FQQNLJFDDXLHIE-KURKYZTESA-N	1	1	353.507	2.148	20	30		FEEDMO
Cc1n[nH]c([C@@H]2CCCN(CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)n1	ZINC000329425804	553944664	/nfs/dbraw/zinc/94/46/64/553944664.db2.gz	GXCJHJLPBMVFQS-CVEARBPZSA-N	1	1	355.442	2.253	20	30		FEEDMO
Cc1nnc([C@@H]2CCCN(CC(=O)NC[C@@H]3Cc4ccccc4O3)C2)[nH]1	ZINC000329425804	553944667	/nfs/dbraw/zinc/94/46/67/553944667.db2.gz	GXCJHJLPBMVFQS-CVEARBPZSA-N	1	1	355.442	2.253	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)C1	ZINC000329436684	553946605	/nfs/dbraw/zinc/94/66/05/553946605.db2.gz	LXWVFWSPEVFGSE-JFIYKMOQSA-N	1	1	362.518	2.250	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@@H]2C(F)F)CCC[N@H+]1C	ZINC000329487825	553956419	/nfs/dbraw/zinc/95/64/19/553956419.db2.gz	RQFXFLWKFHFBOJ-NWANDNLSSA-N	1	1	355.433	2.447	20	30		FEEDMO
COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)cc1OC	ZINC000329620957	553978351	/nfs/dbraw/zinc/97/83/51/553978351.db2.gz	GVMWCIQRCLRALN-HOCLYGCPSA-N	1	1	363.458	2.087	20	30		FEEDMO
COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)cc1OC	ZINC000329620957	553978352	/nfs/dbraw/zinc/97/83/52/553978352.db2.gz	GVMWCIQRCLRALN-HOCLYGCPSA-N	1	1	363.458	2.087	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)NC(=O)Nc1ccc2c(c1)OCO2	ZINC000329667919	553984911	/nfs/dbraw/zinc/98/49/11/553984911.db2.gz	RTTYVHLRRZXALM-UKRRQHHQSA-N	1	1	374.441	2.476	20	30		FEEDMO
Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000329716289	553994348	/nfs/dbraw/zinc/99/43/48/553994348.db2.gz	WGDOBQWKYUWHSO-IRXDYDNUSA-N	1	1	362.522	2.103	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1OC	ZINC000507114837	561718128	/nfs/dbraw/zinc/71/81/28/561718128.db2.gz	AHKCNCBOSPOIPW-MRXNPFEDSA-N	1	1	368.499	2.164	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)cc1OC	ZINC000507114837	561718129	/nfs/dbraw/zinc/71/81/29/561718129.db2.gz	AHKCNCBOSPOIPW-MRXNPFEDSA-N	1	1	368.499	2.164	20	30		FEEDMO
C[C@@H]1CC[C@H](C)N1C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1	ZINC000329777210	554003906	/nfs/dbraw/zinc/00/39/06/554003906.db2.gz	OUWRUXOCFSNJBU-IYBDPMFKSA-N	1	1	358.486	2.361	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C	ZINC000329777556	554004233	/nfs/dbraw/zinc/00/42/33/554004233.db2.gz	KOAKLLYCWAUDQY-BFYDXBDKSA-N	1	1	366.506	2.373	20	30		FEEDMO
CCc1nc(CN2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cs1	ZINC000329797989	554007821	/nfs/dbraw/zinc/00/78/21/554007821.db2.gz	GDKZFBOTZYHAJT-LSDHHAIUSA-N	1	1	365.547	2.220	20	30		FEEDMO
Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1	ZINC000329805033	554009253	/nfs/dbraw/zinc/00/92/53/554009253.db2.gz	MOALJBZMGKACKG-SJLPKXTDSA-N	1	1	358.486	2.150	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2coc(C3CCOCC3)n2)C1	ZINC000329877557	554023515	/nfs/dbraw/zinc/02/35/15/554023515.db2.gz	JLQOQOHRUIBZID-HNNXBMFYSA-N	1	1	351.447	2.230	20	30		FEEDMO
C[C@@H]1OCC[C@@]12CN(C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)CCO2	ZINC000329966042	554040166	/nfs/dbraw/zinc/04/01/66/554040166.db2.gz	VKKGSOAKLYRYAF-JTDSTZFVSA-N	1	1	353.507	2.291	20	30		FEEDMO
C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2ccnc(C#N)c2)CC1	ZINC000329982263	554043351	/nfs/dbraw/zinc/04/33/51/554043351.db2.gz	AAOWDZQNEGRRPD-UHFFFAOYSA-N	1	1	363.421	2.367	20	30		FEEDMO
CCCCNC(=O)NC(=O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000507804029	561741281	/nfs/dbraw/zinc/74/12/81/561741281.db2.gz	MRHSRVPRQVJTLJ-UHFFFAOYSA-N	1	1	358.442	2.027	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1nc2c(s1)COCC2	ZINC000330005426	554048082	/nfs/dbraw/zinc/04/80/82/554048082.db2.gz	BYNJLHCBQAADAB-UHFFFAOYSA-N	1	1	358.427	2.388	20	30		FEEDMO
CC(=O)N1CCC[C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1	ZINC000330028842	554051797	/nfs/dbraw/zinc/05/17/97/554051797.db2.gz	PGSCZFVJZADFNC-KURKYZTESA-N	1	1	350.507	2.106	20	30		FEEDMO
CC(=O)N1CCC[C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1	ZINC000330028841	554052122	/nfs/dbraw/zinc/05/21/22/554052122.db2.gz	PGSCZFVJZADFNC-KSZLIROESA-N	1	1	350.507	2.106	20	30		FEEDMO
COCC[N@@H+]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)C[C@H]1C	ZINC000330042768	554054147	/nfs/dbraw/zinc/05/41/47/554054147.db2.gz	GXWNRJMNGZRHFS-SJORKVTESA-N	1	1	353.507	2.435	20	30		FEEDMO
COCC[N@H+]1CCN(C(=O)NC[C@@H]2CCC3(CCCCC3)O2)C[C@H]1C	ZINC000330042768	554054148	/nfs/dbraw/zinc/05/41/48/554054148.db2.gz	GXWNRJMNGZRHFS-SJORKVTESA-N	1	1	353.507	2.435	20	30		FEEDMO
O=C(C[NH+]1CCC(O[C@@H]2CCOC2)CC1)NC(=O)NC1CCCCC1	ZINC000330071558	554059137	/nfs/dbraw/zinc/05/91/37/554059137.db2.gz	IZZHRVOPXZMRSX-MRXNPFEDSA-N	1	1	353.463	2.460	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)C[C@@H]1C	ZINC000330116732	554067285	/nfs/dbraw/zinc/06/72/85/554067285.db2.gz	VXALPNBSPNCZAD-XJKSGUPXSA-N	1	1	365.499	2.367	20	30		FEEDMO
CN1C[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1=O	ZINC000330121272	554068367	/nfs/dbraw/zinc/06/83/67/554068367.db2.gz	GUBKLIZBZJRQGO-WIYYLYMNSA-N	1	1	370.497	2.119	20	30		FEEDMO
CN1C[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1=O	ZINC000330151474	554074790	/nfs/dbraw/zinc/07/47/90/554074790.db2.gz	LLCYETMAUFTBHR-IPMKNSEASA-N	1	1	370.497	2.118	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)N[C@@H]2CCCc3c[nH]nc32)CC1	ZINC000330156920	554075686	/nfs/dbraw/zinc/07/56/86/554075686.db2.gz	YYUCHGLLKCWLLO-SOLBZPMBSA-N	1	1	374.533	2.192	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1	ZINC000330156920	554075690	/nfs/dbraw/zinc/07/56/90/554075690.db2.gz	YYUCHGLLKCWLLO-SOLBZPMBSA-N	1	1	374.533	2.192	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)CC1	ZINC000330156920	554075693	/nfs/dbraw/zinc/07/56/93/554075693.db2.gz	YYUCHGLLKCWLLO-SOLBZPMBSA-N	1	1	374.533	2.192	20	30		FEEDMO
CC[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1	ZINC000330167149	554077408	/nfs/dbraw/zinc/07/74/08/554077408.db2.gz	YRIWABHMQURJPK-SBHAEUEKSA-N	1	1	369.465	2.324	20	30		FEEDMO
CC[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1	ZINC000330167149	554077409	/nfs/dbraw/zinc/07/74/09/554077409.db2.gz	YRIWABHMQURJPK-SBHAEUEKSA-N	1	1	369.465	2.324	20	30		FEEDMO
CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1(C)C	ZINC000330215418	554086840	/nfs/dbraw/zinc/08/68/40/554086840.db2.gz	HABVRYOSJXCWKN-MUIFIZLQSA-N	1	1	353.507	2.145	20	30		FEEDMO
C[C@]1(CNC(=O)N[C@@H]2CCc3ncnn3C2)CCC[N@H+]1Cc1ccccc1	ZINC000330246450	554092279	/nfs/dbraw/zinc/09/22/79/554092279.db2.gz	LGLIVDWMLLVWIJ-YLJYHZDGSA-N	1	1	368.485	2.151	20	30		FEEDMO
C[C@]1(CNC([O-])=[NH+][C@@H]2CCc3ncnn3C2)CCC[N@H+]1Cc1ccccc1	ZINC000330246450	554092286	/nfs/dbraw/zinc/09/22/86/554092286.db2.gz	LGLIVDWMLLVWIJ-YLJYHZDGSA-N	1	1	368.485	2.151	20	30		FEEDMO
C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1	ZINC000330249021	554092701	/nfs/dbraw/zinc/09/27/01/554092701.db2.gz	ZQBYBLLKMIQUGA-CRAIPNDOSA-N	1	1	362.518	2.045	20	30		FEEDMO
Cc1noc(C)c1C[C@@H](C)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000330272289	554097051	/nfs/dbraw/zinc/09/70/51/554097051.db2.gz	XJXXISGKXDXRHZ-ZIAGYGMSSA-N	1	1	364.490	2.322	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCS(=O)(=O)CC[C@@H]2C)C1	ZINC000330317783	554103903	/nfs/dbraw/zinc/10/39/03/554103903.db2.gz	BWMDENTVONOJFP-JKSUJKDBSA-N	1	1	373.563	2.310	20	30		FEEDMO
CCn1cc([C@H]2OCC[C@@H]2NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cn1	ZINC000330330360	554106288	/nfs/dbraw/zinc/10/62/88/554106288.db2.gz	NGCIBIYWIUERDA-CIRFHOKZSA-N	1	1	363.506	2.357	20	30		FEEDMO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1	ZINC000330368652	554111949	/nfs/dbraw/zinc/11/19/49/554111949.db2.gz	AHDBFWLSXYTHSZ-DAXOMENPSA-N	1	1	370.906	2.011	20	30		FEEDMO
C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1	ZINC000330368652	554111951	/nfs/dbraw/zinc/11/19/51/554111951.db2.gz	AHDBFWLSXYTHSZ-DAXOMENPSA-N	1	1	370.906	2.011	20	30		FEEDMO
CNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1	ZINC000330375227	554112853	/nfs/dbraw/zinc/11/28/53/554112853.db2.gz	COOUXPBDQHWFGJ-AWEZNQCLSA-N	1	1	353.488	2.020	20	30		FEEDMO
C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1	ZINC000330375334	554112898	/nfs/dbraw/zinc/11/28/98/554112898.db2.gz	NROXGVNIBILWTK-SJORKVTESA-N	1	1	370.563	2.299	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)c(S(=O)(=O)N(C)C)c2)C1	ZINC000330504597	554130460	/nfs/dbraw/zinc/13/04/60/554130460.db2.gz	IABGWGHATKNTAN-MRXNPFEDSA-N	1	1	367.515	2.343	20	30		FEEDMO
COC(=O)c1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1Cl	ZINC000330518566	554132603	/nfs/dbraw/zinc/13/26/03/554132603.db2.gz	YHEYFOFRKXOWIJ-NEPJUHHUSA-N	1	1	369.849	2.059	20	30		FEEDMO
COC(=O)c1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1Cl	ZINC000330518566	554132606	/nfs/dbraw/zinc/13/26/06/554132606.db2.gz	YHEYFOFRKXOWIJ-NEPJUHHUSA-N	1	1	369.849	2.059	20	30		FEEDMO
CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1	ZINC000330570485	554139712	/nfs/dbraw/zinc/13/97/12/554139712.db2.gz	NMXQCONZXPQBCS-SFHVURJKSA-N	1	1	367.877	2.148	20	30		FEEDMO
CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1	ZINC000330570485	554139714	/nfs/dbraw/zinc/13/97/14/554139714.db2.gz	NMXQCONZXPQBCS-SFHVURJKSA-N	1	1	367.877	2.148	20	30		FEEDMO
C[C@@H]1[C@H](C)N(C(=O)CNC(=O)c2cccc(Br)c2)CC[N@@H+]1C	ZINC000330626676	554147754	/nfs/dbraw/zinc/14/77/54/554147754.db2.gz	JGBSKMXCKKUOEG-NEPJUHHUSA-N	1	1	368.275	2.305	20	30		FEEDMO
CC[C@@H]1CN(C(=O)C(C)(C)NC(=O)c2ccccc2)CC[N@H+]1C[C@H](C)O	ZINC000330799505	554172976	/nfs/dbraw/zinc/17/29/76/554172976.db2.gz	HCVIKRXBLKQIQA-DOTOQJQBSA-N	1	1	361.486	2.073	20	30		FEEDMO
CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C)CC[N@H+]1CCOC	ZINC000508592682	561766947	/nfs/dbraw/zinc/76/69/47/561766947.db2.gz	OIBOEZJYWDBQKA-SFHVURJKSA-N	1	1	368.485	2.291	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1C#N	ZINC000509049929	561782837	/nfs/dbraw/zinc/78/28/37/561782837.db2.gz	UIFUUWKAJUVZTL-XIKOKIGWSA-N	1	1	370.428	2.356	20	30		FEEDMO
Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1C#N	ZINC000509049929	561782838	/nfs/dbraw/zinc/78/28/38/561782838.db2.gz	UIFUUWKAJUVZTL-XIKOKIGWSA-N	1	1	370.428	2.356	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000332045232	554369351	/nfs/dbraw/zinc/36/93/51/554369351.db2.gz	VOPOAMNASZCGHG-ICSRJNTNSA-N	1	1	354.498	2.487	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3C[C@@H](C)[N@H+](C)C[C@H]3C)C2)n1	ZINC000509673218	561810040	/nfs/dbraw/zinc/81/00/40/561810040.db2.gz	YJPSJPKOSZPUIK-NUJGCVRESA-N	1	1	355.486	2.029	20	30		FEEDMO
C[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000611519444	554641139	/nfs/dbraw/zinc/64/11/39/554641139.db2.gz	LFXOTJBBDNJPER-GOEBONIOSA-N	1	1	352.442	2.324	20	30		FEEDMO
C[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000611519444	554641141	/nfs/dbraw/zinc/64/11/41/554641141.db2.gz	LFXOTJBBDNJPER-GOEBONIOSA-N	1	1	352.442	2.324	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N(C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1=O	ZINC000348391855	554683730	/nfs/dbraw/zinc/68/37/30/554683730.db2.gz	RBHBICAESHCREQ-YLJYHZDGSA-N	1	1	357.454	2.164	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1=O	ZINC000348582654	554689780	/nfs/dbraw/zinc/68/97/80/554689780.db2.gz	FIMBHIGQDCUEJD-BPQIPLTHSA-N	1	1	357.454	2.020	20	30		FEEDMO
C=CCNC(=O)c1cccc(-c2noc([C@H]3C[N@H+](C(C)C)CCO3)n2)c1	ZINC000351221412	554844819	/nfs/dbraw/zinc/84/48/19/554844819.db2.gz	NQVRVWYVPRAJOY-MRXNPFEDSA-N	1	1	356.426	2.434	20	30		FEEDMO
C=CCNC(=O)c1cccc(-c2noc([C@H]3C[N@@H+](C(C)C)CCO3)n2)c1	ZINC000351221412	554844821	/nfs/dbraw/zinc/84/48/21/554844821.db2.gz	NQVRVWYVPRAJOY-MRXNPFEDSA-N	1	1	356.426	2.434	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1	ZINC000360403457	554873475	/nfs/dbraw/zinc/87/34/75/554873475.db2.gz	YBDJRMREDMXXQN-WOJBJXKFSA-N	1	1	368.481	2.409	20	30		FEEDMO
Cc1noc(C2(C)CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)n1	ZINC000360435933	554874671	/nfs/dbraw/zinc/87/46/71/554874671.db2.gz	JATKHMKSFANROL-QGZVFWFLSA-N	1	1	365.437	2.409	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)CC1	ZINC000360443126	554874992	/nfs/dbraw/zinc/87/49/92/554874992.db2.gz	BOGOORNPBGROKZ-NRFANRHFSA-N	1	1	369.509	2.390	20	30		FEEDMO
CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1	ZINC000360604095	554881659	/nfs/dbraw/zinc/88/16/59/554881659.db2.gz	INQGLACRDGTNFE-GOSISDBHSA-N	1	1	352.482	2.140	20	30		FEEDMO
C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1	ZINC000360604095	554881661	/nfs/dbraw/zinc/88/16/61/554881661.db2.gz	INQGLACRDGTNFE-GOSISDBHSA-N	1	1	352.482	2.140	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[N@H+](C2CCOCC2)CC1	ZINC000360955878	554896909	/nfs/dbraw/zinc/89/69/09/554896909.db2.gz	BOFQUUKPBFMPOW-MRXNPFEDSA-N	1	1	357.454	2.039	20	30		FEEDMO
C=CCn1c(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nnc1-c1ccncc1	ZINC000362005396	554943596	/nfs/dbraw/zinc/94/35/96/554943596.db2.gz	TTWQULRLJHXEGX-IYBDPMFKSA-N	1	1	357.483	2.481	20	30		FEEDMO
C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)n1cnc(C#N)n1	ZINC000511743369	561879483	/nfs/dbraw/zinc/87/94/83/561879483.db2.gz	MZIPWABGBKRMJW-RDJZCZTQSA-N	1	1	366.469	2.128	20	30		FEEDMO
C[C@@H]1CC(=O)NCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000363150042	555040825	/nfs/dbraw/zinc/04/08/25/555040825.db2.gz	KJYWSBKIZQDSKI-CYBMUJFWSA-N	1	1	374.510	2.428	20	30		FEEDMO
Cc1cc([C@@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)[nH]n1	ZINC000363366866	555087087	/nfs/dbraw/zinc/08/70/87/555087087.db2.gz	LMCXJMAWGFRQOV-MRXNPFEDSA-N	1	1	358.467	2.243	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+]3[C@@H]4CCCC[C@H]4C[C@H]3C(N)=O)o2)cc1	ZINC000363447047	555107987	/nfs/dbraw/zinc/10/79/87/555107987.db2.gz	ANUNUEAJPJYOIL-XHSDSOJGSA-N	1	1	351.410	2.227	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3[C@@H]4CCCC[C@H]4C[C@H]3C(N)=O)o2)cc1	ZINC000363447047	555107989	/nfs/dbraw/zinc/10/79/89/555107989.db2.gz	ANUNUEAJPJYOIL-XHSDSOJGSA-N	1	1	351.410	2.227	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1	ZINC000363697023	555166390	/nfs/dbraw/zinc/16/63/90/555166390.db2.gz	BUPKUQYWZVZFPV-OAHLLOKOSA-N	1	1	370.432	2.736	20	30		FEEDMO
N#CCN1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1	ZINC000364038439	555238159	/nfs/dbraw/zinc/23/81/59/555238159.db2.gz	WDVYZMAIJPURAS-QGZVFWFLSA-N	1	1	355.486	2.161	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(CNC(C)=O)o1	ZINC000364079080	555245775	/nfs/dbraw/zinc/24/57/75/555245775.db2.gz	JJPPRLULXAFQQI-PBHICJAKSA-N	1	1	360.458	2.061	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1c1ccc(CNC(C)=O)o1	ZINC000364079080	555245776	/nfs/dbraw/zinc/24/57/76/555245776.db2.gz	JJPPRLULXAFQQI-PBHICJAKSA-N	1	1	360.458	2.061	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C	ZINC000364553924	555337188	/nfs/dbraw/zinc/33/71/88/555337188.db2.gz	CUVMXHFJWVZTGR-XAMWDVODSA-N	1	1	371.481	2.331	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)S(=O)(=O)c1ccccc1C#N	ZINC000364557640	555338240	/nfs/dbraw/zinc/33/82/40/555338240.db2.gz	BFXSYYJBNRVWCS-HKUYNNGSSA-N	1	1	370.478	2.267	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1	ZINC000364626672	555356585	/nfs/dbraw/zinc/35/65/85/555356585.db2.gz	LFMARGLWGLVIBB-QZTJIDSGSA-N	1	1	362.518	2.109	20	30		FEEDMO
C=CCc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc(OC)c1OC	ZINC000364742407	555391198	/nfs/dbraw/zinc/39/11/98/555391198.db2.gz	KVNJMMIOPILSNE-ZWKOTPCHSA-N	1	1	374.481	2.104	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1	ZINC000364786611	555402506	/nfs/dbraw/zinc/40/25/06/555402506.db2.gz	FOSNWVAJDFADDD-OAHLLOKOSA-N	1	1	361.490	2.295	20	30		FEEDMO
COCCOCCOCC[N@H+](C)Cc1ncc(-c2ccc(C#N)cc2)o1	ZINC000364923847	555438857	/nfs/dbraw/zinc/43/88/57/555438857.db2.gz	REUNZLPWSGJUPD-UHFFFAOYSA-N	1	1	359.426	2.325	20	30		FEEDMO
COCCOCCOCC[N@@H+](C)Cc1ncc(-c2ccc(C#N)cc2)o1	ZINC000364923847	555438860	/nfs/dbraw/zinc/43/88/60/555438860.db2.gz	REUNZLPWSGJUPD-UHFFFAOYSA-N	1	1	359.426	2.325	20	30		FEEDMO
C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CCCN1C(=O)OC(C)(C)C	ZINC000364930538	555441521	/nfs/dbraw/zinc/44/15/21/555441521.db2.gz	NUCGEMXKPXZKDD-KXBFYZLASA-N	1	1	351.491	2.400	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1C#N	ZINC000365394384	555563206	/nfs/dbraw/zinc/56/32/06/555563206.db2.gz	LGFHZCRSRIOJBQ-GDIGMMSISA-N	1	1	354.454	2.361	20	30		FEEDMO
CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1C#N	ZINC000365394384	555563209	/nfs/dbraw/zinc/56/32/09/555563209.db2.gz	LGFHZCRSRIOJBQ-GDIGMMSISA-N	1	1	354.454	2.361	20	30		FEEDMO
C[N@H+]1CC[C@H](CNC(=O)N=c2ccn(CCC#N)[nH]2)[C@H]1c1cccs1	ZINC000365645499	555630948	/nfs/dbraw/zinc/63/09/48/555630948.db2.gz	CIVLKJOABPGLJI-CJNGLKHVSA-N	1	1	358.471	2.673	20	30		FEEDMO
Cc1c(C#N)cccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000513608543	561944339	/nfs/dbraw/zinc/94/43/39/561944339.db2.gz	JKAOWUNEWSYQDW-TZIWHRDSSA-N	1	1	363.461	2.480	20	30		FEEDMO
C=CCOc1ccc(CN2CCC[N@H+](CC(=O)NC)CC2)cc1Cl	ZINC000367422366	556044619	/nfs/dbraw/zinc/04/46/19/556044619.db2.gz	KACQGULVOQADDT-UHFFFAOYSA-N	1	1	351.878	2.159	20	30		FEEDMO
C=CCOc1ccc(CN2CCC[N@@H+](CC(=O)NC)CC2)cc1Cl	ZINC000367422366	556044617	/nfs/dbraw/zinc/04/46/17/556044617.db2.gz	KACQGULVOQADDT-UHFFFAOYSA-N	1	1	351.878	2.159	20	30		FEEDMO
CC(C)[C@H](CNC(=O)[C@]1(C#N)CCc2ccccc2C1)N1CC[NH+](C)CC1	ZINC000367571757	556086467	/nfs/dbraw/zinc/08/64/67/556086467.db2.gz	XYNIJQDKMXAPOL-RBBKRZOGSA-N	1	1	368.525	2.073	20	30		FEEDMO
Cc1cc(=NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)[nH]n1CCC#N	ZINC000367611851	556097252	/nfs/dbraw/zinc/09/72/52/556097252.db2.gz	HKHLXMOUDPLIDI-UHFFFAOYSA-N	1	1	366.469	2.845	20	30		FEEDMO
Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNc1nc(C)ccc1C#N	ZINC000367714735	556121253	/nfs/dbraw/zinc/12/12/53/556121253.db2.gz	DTZFMTSELWRZNC-UHFFFAOYSA-N	1	1	353.474	2.058	20	30		FEEDMO
COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1nnc(-c3ccc(C#N)cc3)o1)C2	ZINC000367828675	556149252	/nfs/dbraw/zinc/14/92/52/556149252.db2.gz	VPUDBJPFHLPZPK-DNVCBOLYSA-N	1	1	352.394	2.383	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCO1	ZINC000368186897	556242682	/nfs/dbraw/zinc/24/26/82/556242682.db2.gz	BRPCTPMXLOJUCH-MTQWCTHYSA-N	1	1	368.481	2.221	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C	ZINC000368417935	556302974	/nfs/dbraw/zinc/30/29/74/556302974.db2.gz	VFYAHFORLTUCHT-NZSAHSFTSA-N	1	1	373.497	2.425	20	30		FEEDMO
CCN1CC[NH+](Cc2ccc(NC(=O)Cc3ccc(C#N)nc3)cc2)CC1	ZINC000527940731	562308919	/nfs/dbraw/zinc/30/89/19/562308919.db2.gz	AJSJIZNCKWJPCB-UHFFFAOYSA-N	1	1	363.465	2.272	20	30		FEEDMO
N#Cc1c(C[NH+]2CCC(CC(=O)N3CCOCC3)CC2)cn2ccccc12	ZINC000368803108	556416984	/nfs/dbraw/zinc/41/69/84/556416984.db2.gz	VKXIFDXWLDJWQG-UHFFFAOYSA-N	1	1	366.465	2.272	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)N1CCC([NH+]2CCN(CCC)CC2)CC1	ZINC000369154342	556518724	/nfs/dbraw/zinc/51/87/24/556518724.db2.gz	HQSYTAQKNZHLPQ-IBGZPJMESA-N	1	1	362.562	2.068	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1	ZINC000369178337	556526775	/nfs/dbraw/zinc/52/67/75/556526775.db2.gz	ZXWFHYWNMCRDLF-HNNXBMFYSA-N	1	1	352.398	2.581	20	30		FEEDMO
N#Cc1ncn(C2CC[NH+](CC(=O)N[C@@H](c3ccccc3)C3CC3)CC2)n1	ZINC000369311153	556572013	/nfs/dbraw/zinc/57/20/13/556572013.db2.gz	FDUJSBXKBYFJHN-FQEVSTJZSA-N	1	1	364.453	2.054	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2Cn2ccnn2)cc1Cl	ZINC000369381004	556585432	/nfs/dbraw/zinc/58/54/32/556585432.db2.gz	YVUSUYHELJSBFB-OAHLLOKOSA-N	1	1	358.833	2.296	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2Cn2ccnn2)cc1Cl	ZINC000369381004	556585433	/nfs/dbraw/zinc/58/54/33/556585433.db2.gz	YVUSUYHELJSBFB-OAHLLOKOSA-N	1	1	358.833	2.296	20	30		FEEDMO
Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1F	ZINC000369388708	556587622	/nfs/dbraw/zinc/58/76/22/556587622.db2.gz	HLYMMSUUBNKTGY-ZDUSSCGKSA-N	1	1	356.405	2.261	20	30		FEEDMO
Cn1cc([C@H]2[C@H](CNC(=O)Nc3ccc(C#N)cc3)CCC[N@H+]2C)cn1	ZINC000369421569	556596857	/nfs/dbraw/zinc/59/68/57/556596857.db2.gz	ORHJPKDQRDXZDC-MAUKXSAKSA-N	1	1	352.442	2.496	20	30		FEEDMO
C[NH+]1CCC(CNC(=O)COc2ccc(C#N)cc2)(N2CCCCC2)CC1	ZINC000369650453	556658453	/nfs/dbraw/zinc/65/84/53/556658453.db2.gz	VGVDPFWRFITSFW-UHFFFAOYSA-N	1	1	370.497	2.004	20	30		FEEDMO
CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1=O	ZINC000369804193	556699628	/nfs/dbraw/zinc/69/96/28/556699628.db2.gz	RYEYNDFWZOVNJM-SJORKVTESA-N	1	1	354.454	2.479	20	30		FEEDMO
CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1=O	ZINC000369804193	556699633	/nfs/dbraw/zinc/69/96/33/556699633.db2.gz	RYEYNDFWZOVNJM-SJORKVTESA-N	1	1	354.454	2.479	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCc1cc(C#N)ccc1F	ZINC000369865281	556716887	/nfs/dbraw/zinc/71/68/87/556716887.db2.gz	YCFLLQRKOWMSBZ-BJZITVGISA-N	1	1	374.460	2.386	20	30		FEEDMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)N[C@@](C)(C#N)C1CC1	ZINC000370009015	556756173	/nfs/dbraw/zinc/75/61/73/556756173.db2.gz	JMMBKPDNRJWWNK-UWJYYQICSA-N	1	1	354.498	2.391	20	30		FEEDMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)N[C@](C)(C#N)C1CC1	ZINC000370009012	556756336	/nfs/dbraw/zinc/75/63/36/556756336.db2.gz	JMMBKPDNRJWWNK-DYESRHJHSA-N	1	1	354.498	2.391	20	30		FEEDMO
Cc1ccc(C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1C#N	ZINC000370159334	556797454	/nfs/dbraw/zinc/79/74/54/556797454.db2.gz	ICCJAIHVKQMXAX-UHFFFAOYSA-N	1	1	354.498	2.497	20	30		FEEDMO
C[C@H]1CC[N@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccnc1C#N	ZINC000370657282	556933048	/nfs/dbraw/zinc/93/30/48/556933048.db2.gz	HZTXUGKSQUNMBV-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)c1cccnc1C#N	ZINC000370657282	556933049	/nfs/dbraw/zinc/93/30/49/556933049.db2.gz	HZTXUGKSQUNMBV-INIZCTEOSA-N	1	1	370.478	2.238	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C1	ZINC000370796860	556971982	/nfs/dbraw/zinc/97/19/82/556971982.db2.gz	WXVKUOAVNSOTHK-RZQQEMMASA-N	1	1	362.518	2.010	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C1	ZINC000370796860	556971984	/nfs/dbraw/zinc/97/19/84/556971984.db2.gz	WXVKUOAVNSOTHK-RZQQEMMASA-N	1	1	362.518	2.010	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000370893443	557005874	/nfs/dbraw/zinc/00/58/74/557005874.db2.gz	VFYDLMWFCTXDOZ-IAGOWNOFSA-N	1	1	360.502	2.194	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](N2CCCCC2=O)C1	ZINC000370893443	557005875	/nfs/dbraw/zinc/00/58/75/557005875.db2.gz	VFYDLMWFCTXDOZ-IAGOWNOFSA-N	1	1	360.502	2.194	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@H+]2CCOC[C@H]2C)CC1	ZINC000517214122	562079696	/nfs/dbraw/zinc/07/96/96/562079696.db2.gz	ZFFCYBABMWKHNW-CVEARBPZSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccc2c(c1)OCO2	ZINC000517257930	562082949	/nfs/dbraw/zinc/08/29/49/562082949.db2.gz	LBGVCXCDEFBJAA-UHFFFAOYSA-N	1	1	367.405	2.374	20	30		FEEDMO
C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)Nc1ccc2c(c1)OCO2	ZINC000517257930	562082950	/nfs/dbraw/zinc/08/29/50/562082950.db2.gz	LBGVCXCDEFBJAA-UHFFFAOYSA-N	1	1	367.405	2.374	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@@H](C)N1CCC([NH+]2CCN(C(C)C)CC2)CC1	ZINC000371344613	557153843	/nfs/dbraw/zinc/15/38/43/557153843.db2.gz	MFOBTKSNFMQBFT-LJQANCHMSA-N	1	1	362.562	2.066	20	30		FEEDMO
C=CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](Cc2ccsc2)CC1	ZINC000517394052	562088534	/nfs/dbraw/zinc/08/85/34/562088534.db2.gz	UXVNSSUAMWFNCH-UHFFFAOYSA-N	1	1	369.498	2.248	20	30		FEEDMO
CCc1nn(C)c(CC)c1C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000371469016	557189782	/nfs/dbraw/zinc/18/97/82/557189782.db2.gz	CMZZRZGQWWVZOC-QKKBWIMNSA-N	1	1	363.465	2.390	20	30		FEEDMO
CCc1nn(C)c(CC)c1C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000371469016	557189784	/nfs/dbraw/zinc/18/97/84/557189784.db2.gz	CMZZRZGQWWVZOC-QKKBWIMNSA-N	1	1	363.465	2.390	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](C2)C[N@H+]2CCCC[C@@H]32)c(Cl)c1	ZINC000371632614	557245932	/nfs/dbraw/zinc/24/59/32/557245932.db2.gz	IYCMUEUVHRZJCT-DZKIICNBSA-N	1	1	365.886	2.316	20	30		FEEDMO
C=C1CC[NH+](CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1	ZINC000518677241	562116334	/nfs/dbraw/zinc/11/63/34/562116334.db2.gz	BAOOZHURXGXALO-UHFFFAOYSA-N	1	1	357.502	2.209	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)CC(=O)NC1(C#N)CCC1	ZINC000372611013	557520765	/nfs/dbraw/zinc/52/07/65/557520765.db2.gz	ONDULZIAZAEOOF-MJGOQNOKSA-N	1	1	354.498	2.391	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)NOCC(F)(F)F)CC2)cc1	ZINC000372781243	557561362	/nfs/dbraw/zinc/56/13/62/557561362.db2.gz	MRFXTJMRQBLELW-UHFFFAOYSA-N	1	1	356.348	2.269	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NOCC(F)(F)F)CC2)cc1	ZINC000372781243	557561363	/nfs/dbraw/zinc/56/13/63/557561363.db2.gz	MRFXTJMRQBLELW-UHFFFAOYSA-N	1	1	356.348	2.269	20	30		FEEDMO
N#Cc1cccc(-n2ccc(C(=O)N3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)n2)c1	ZINC000373960173	557796781	/nfs/dbraw/zinc/79/67/81/557796781.db2.gz	YUHGGMTUHDFTFH-XKGZKEIXSA-N	1	1	361.449	2.300	20	30		FEEDMO
C=CCN1CC[C@@H]([N@H+](C)C2CCN(c3ncnc4ccccc43)CC2)C1=O	ZINC000374111158	557825084	/nfs/dbraw/zinc/82/50/84/557825084.db2.gz	ZXVSJNOZOSOQDB-LJQANCHMSA-N	1	1	365.481	2.317	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000520847494	562164955	/nfs/dbraw/zinc/16/49/55/562164955.db2.gz	DLPAYBYNHDUFKH-IUODEOHRSA-N	1	1	351.834	2.193	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1	ZINC000520847494	562164956	/nfs/dbraw/zinc/16/49/56/562164956.db2.gz	DLPAYBYNHDUFKH-IUODEOHRSA-N	1	1	351.834	2.193	20	30		FEEDMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCCc2cccc(C#N)c2)C[C@@H](C)O1	ZINC000374265173	557854653	/nfs/dbraw/zinc/85/46/53/557854653.db2.gz	MOROSTARIZMEQS-MBOZVWFJSA-N	1	1	370.497	2.384	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1	ZINC000374553098	557899124	/nfs/dbraw/zinc/89/91/24/557899124.db2.gz	VULMZVFPRLVEKH-IRXDYDNUSA-N	1	1	359.470	2.311	20	30		FEEDMO
C[C@H](NC(=O)N[C@H]1CCCN(c2ccccc2C#N)C1)C1=CC[N@@H+](C)CC1	ZINC000374752071	557925607	/nfs/dbraw/zinc/92/56/07/557925607.db2.gz	QXMUQFAGBXFNRX-LPHOPBHVSA-N	1	1	367.497	2.477	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1	ZINC000521348784	562174644	/nfs/dbraw/zinc/17/46/44/562174644.db2.gz	RYTLWWNQBSDOQO-JKSUJKDBSA-N	1	1	359.449	2.060	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c(F)c1	ZINC000375004039	557962846	/nfs/dbraw/zinc/96/28/46/557962846.db2.gz	XDTFZYKZFYADDP-CYBMUJFWSA-N	1	1	361.392	2.018	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)C[C@@H]21	ZINC000375018187	557964992	/nfs/dbraw/zinc/96/49/92/557964992.db2.gz	IULDCJLKDGWDPJ-QAPCUYQASA-N	1	1	354.454	2.220	20	30		FEEDMO
CCC[N@@H+](C)CC(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000521649156	562181146	/nfs/dbraw/zinc/18/11/46/562181146.db2.gz	BRUGCCCETKWZLD-UHFFFAOYSA-N	1	1	351.454	2.097	20	30		FEEDMO
C=CCn1c(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nnc1-c1ccccn1	ZINC000376258274	558148935	/nfs/dbraw/zinc/14/89/35/558148935.db2.gz	PFSCSQZZJANVIM-GASCZTMLSA-N	1	1	357.483	2.481	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1	ZINC000376685947	558208519	/nfs/dbraw/zinc/20/85/19/558208519.db2.gz	CBKYRSQOLCAFEJ-CYBMUJFWSA-N	1	1	373.482	2.099	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC000376685947	558208521	/nfs/dbraw/zinc/20/85/21/558208521.db2.gz	CBKYRSQOLCAFEJ-CYBMUJFWSA-N	1	1	373.482	2.099	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(NC(=O)C2CCC2)CC1	ZINC000377520219	558356018	/nfs/dbraw/zinc/35/60/18/558356018.db2.gz	SFUYOHLCQXKIFY-OAHLLOKOSA-N	1	1	360.502	2.098	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C[C@@H](C#N)CCC#N)CC2)C1	ZINC000377542979	558360772	/nfs/dbraw/zinc/36/07/72/558360772.db2.gz	KWPGYSMPALKVHA-IAGOWNOFSA-N	1	1	361.490	2.057	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CC(N)=O)C1	ZINC000377608984	558376345	/nfs/dbraw/zinc/37/63/45/558376345.db2.gz	WPTGOBITPGAUHU-UONOGXRCSA-N	1	1	360.483	2.217	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+]1CC[C@H](CC(N)=O)C1	ZINC000377608984	558376346	/nfs/dbraw/zinc/37/63/46/558376346.db2.gz	WPTGOBITPGAUHU-UONOGXRCSA-N	1	1	360.483	2.217	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1	ZINC000377668068	558391463	/nfs/dbraw/zinc/39/14/63/558391463.db2.gz	JSNZHQKQMLIHSO-ZIFCJYIRSA-N	1	1	361.534	2.126	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1	ZINC000377717124	558404300	/nfs/dbraw/zinc/40/43/00/558404300.db2.gz	DLAOYMCBJBCOMD-HOJAQTOUSA-N	1	1	354.498	2.201	20	30		FEEDMO
N#CCCCCS(=O)(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1	ZINC000377770843	558416724	/nfs/dbraw/zinc/41/67/24/558416724.db2.gz	QWQQALBUDWGGAF-MOPGFXCFSA-N	1	1	361.511	2.464	20	30		FEEDMO
N#Cc1ccc(Cn2cnc(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)n2)cc1	ZINC000378008443	558462270	/nfs/dbraw/zinc/46/22/70/558462270.db2.gz	IPQCBDXQCYCRLK-IAGOWNOFSA-N	1	1	350.426	2.011	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@](O)(c4ccc(F)cc4)C3)C2=O)cc1	ZINC000378514610	558572927	/nfs/dbraw/zinc/57/29/27/558572927.db2.gz	FZVSPBCWDQCMEP-PZJWPPBQSA-N	1	1	365.408	2.396	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@](O)(c4ccc(F)cc4)C3)C2=O)cc1	ZINC000378514610	558572929	/nfs/dbraw/zinc/57/29/29/558572929.db2.gz	FZVSPBCWDQCMEP-PZJWPPBQSA-N	1	1	365.408	2.396	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1C#N	ZINC000389949558	558609639	/nfs/dbraw/zinc/60/96/39/558609639.db2.gz	RSAUWFRXNQWRSH-AUUYWEPGSA-N	1	1	370.478	2.061	20	30		FEEDMO
C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1=O	ZINC000410108737	558739049	/nfs/dbraw/zinc/73/90/49/558739049.db2.gz	XTWMWPMMKBYYLR-PKOBYXMFSA-N	1	1	373.472	2.283	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000410152710	558742698	/nfs/dbraw/zinc/74/26/98/558742698.db2.gz	YZNGOXWXDCRJOA-SFHVURJKSA-N	1	1	364.515	2.063	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1	ZINC000410161735	558743413	/nfs/dbraw/zinc/74/34/13/558743413.db2.gz	LYVGCVCSRQOCBA-AEFFLSMTSA-N	1	1	370.563	2.347	20	30		FEEDMO
C=C(C)CN(C)C(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1	ZINC000410452626	558760831	/nfs/dbraw/zinc/76/08/31/558760831.db2.gz	WMXPGMVJPBUAPE-UHFFFAOYSA-N	1	1	357.498	2.188	20	30		FEEDMO
C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000411128308	558841611	/nfs/dbraw/zinc/84/16/11/558841611.db2.gz	DJENSOMLZFUBRQ-GOSISDBHSA-N	1	1	365.481	2.202	20	30		FEEDMO
C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCN(c2ncccn2)CC1	ZINC000411128308	558841613	/nfs/dbraw/zinc/84/16/13/558841613.db2.gz	DJENSOMLZFUBRQ-GOSISDBHSA-N	1	1	365.481	2.202	20	30		FEEDMO
C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1	ZINC000411191096	558851256	/nfs/dbraw/zinc/85/12/56/558851256.db2.gz	IJBZOTUZIAMPGA-INIZCTEOSA-N	1	1	360.458	2.135	20	30		FEEDMO
COCCCNC(=O)[C@@H](C)N1CC[NH+](CCC2(C#N)CCCCC2)CC1	ZINC000411240951	558859138	/nfs/dbraw/zinc/85/91/38/558859138.db2.gz	UDIZOSLAPRMICJ-GOSISDBHSA-N	1	1	364.534	2.009	20	30		FEEDMO
C=CC[N@H+](CC1CCCCC1)[C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1	ZINC000411264120	558863376	/nfs/dbraw/zinc/86/33/76/558863376.db2.gz	UVSFDNFTGJPTSE-AEFFLSMTSA-N	1	1	370.559	2.479	20	30		FEEDMO
C=CC[N@@H+](CC1CCCCC1)[C@H](C)C(=O)N(CC)[C@H]1CCS(=O)(=O)C1	ZINC000411264120	558863378	/nfs/dbraw/zinc/86/33/78/558863378.db2.gz	UVSFDNFTGJPTSE-AEFFLSMTSA-N	1	1	370.559	2.479	20	30		FEEDMO
COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1	ZINC000411623361	558931187	/nfs/dbraw/zinc/93/11/87/558931187.db2.gz	HRFXGCKICXCDOG-QGZVFWFLSA-N	1	1	371.547	2.223	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCc3c(cnn3C)C2)c(OC)c1	ZINC000411852208	558976059	/nfs/dbraw/zinc/97/60/59/558976059.db2.gz	YPEDYLRAJACJOG-SFHVURJKSA-N	1	1	371.481	2.345	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)CCC1	ZINC000525886092	562258582	/nfs/dbraw/zinc/25/85/82/562258582.db2.gz	YNKKGJNOEDLDQE-UHFFFAOYSA-N	1	1	355.364	2.101	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1	ZINC000411997679	559000801	/nfs/dbraw/zinc/00/08/01/559000801.db2.gz	IZFRCVNRWHVCQI-HXUWFJFHSA-N	1	1	366.465	2.496	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1	ZINC000411997679	559000802	/nfs/dbraw/zinc/00/08/02/559000802.db2.gz	IZFRCVNRWHVCQI-HXUWFJFHSA-N	1	1	366.465	2.496	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1ccc(C#N)cc1Cl	ZINC000414459587	559165515	/nfs/dbraw/zinc/16/55/15/559165515.db2.gz	BOVMRPQDAMTNDM-LLVKDONJSA-N	1	1	352.847	2.331	20	30		FEEDMO
C[N@H+]1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)C1	ZINC000414468468	559166743	/nfs/dbraw/zinc/16/67/43/559166743.db2.gz	YPWNBIBLRPKHTE-FUHWJXTLSA-N	1	1	359.426	2.073	20	30		FEEDMO
C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NS(=O)(=O)c2ccc(C#N)c(F)c2)C1	ZINC000414468468	559166744	/nfs/dbraw/zinc/16/67/44/559166744.db2.gz	YPWNBIBLRPKHTE-FUHWJXTLSA-N	1	1	359.426	2.073	20	30		FEEDMO
C[C@@H](CNC(=O)N[C@@H]1CCCc2cc(C#N)ccc21)CN1CC[NH+](C)CC1	ZINC000416688321	559329820	/nfs/dbraw/zinc/32/98/20/559329820.db2.gz	PABOJIAUIACLEO-OXJNMPFZSA-N	1	1	369.513	2.118	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c1	ZINC000416795473	559332962	/nfs/dbraw/zinc/33/29/62/559332962.db2.gz	TYKHAAQEHRJMNM-HNNXBMFYSA-N	1	1	361.442	2.210	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C	ZINC000420762076	559502979	/nfs/dbraw/zinc/50/29/79/559502979.db2.gz	HZPBTZYXMMUVNB-QZTJIDSGSA-N	1	1	369.465	2.302	20	30		FEEDMO
C[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000420943018	559513224	/nfs/dbraw/zinc/51/32/24/559513224.db2.gz	PKMHLGJVAWUPJP-GOEBONIOSA-N	1	1	368.399	2.123	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)cc1	ZINC000421035227	559521173	/nfs/dbraw/zinc/52/11/73/559521173.db2.gz	HWSYCMWEDRACDV-ICSRJNTNSA-N	1	1	371.481	2.069	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCNC(=O)[C@@H]2CC2CCCCC2)cc1	ZINC000421035227	559521174	/nfs/dbraw/zinc/52/11/74/559521174.db2.gz	HWSYCMWEDRACDV-ICSRJNTNSA-N	1	1	371.481	2.069	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@H]3CCC[N@H+]3C)C2)n1	ZINC000421715136	559550627	/nfs/dbraw/zinc/55/06/27/559550627.db2.gz	XBQXIASXWNAOMY-ZWKOTPCHSA-N	1	1	355.486	2.031	20	30		FEEDMO
C[C@H](CCNC(=O)C(=O)NCC(C)(C)CC#N)[N@@H+](C)Cc1ccccc1	ZINC000422395113	559584730	/nfs/dbraw/zinc/58/47/30/559584730.db2.gz	FGCURWGMCMJUHU-MRXNPFEDSA-N	1	1	358.486	2.069	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1	ZINC000422486442	559591383	/nfs/dbraw/zinc/59/13/83/559591383.db2.gz	GUTRZZYEUCYHFV-SFHVURJKSA-N	1	1	370.497	2.145	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1	ZINC000422523874	559592849	/nfs/dbraw/zinc/59/28/49/559592849.db2.gz	DPPRMWUQMGTCKI-MOPGFXCFSA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1	ZINC000422523874	559592850	/nfs/dbraw/zinc/59/28/50/559592850.db2.gz	DPPRMWUQMGTCKI-MOPGFXCFSA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000422547723	559594425	/nfs/dbraw/zinc/59/44/25/559594425.db2.gz	XNWIZNSAROLGTM-PMACEKPBSA-N	1	1	371.525	2.480	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[C@H](C#N)C2)CC1	ZINC000425428491	559701879	/nfs/dbraw/zinc/70/18/79/559701879.db2.gz	WCEBNWXGVCUVIC-FXAWDEMLSA-N	1	1	369.513	2.316	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C	ZINC000425456414	559703068	/nfs/dbraw/zinc/70/30/68/559703068.db2.gz	WODLNNHKTJQRAQ-FJIDUMEYSA-N	1	1	353.507	2.014	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(CCC[N@H+](C)CCOC)CC1	ZINC000425561447	559709855	/nfs/dbraw/zinc/70/98/55/559709855.db2.gz	BKHDDYFKXUTPHF-OALUTQOASA-N	1	1	367.534	2.358	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000425724268	559716099	/nfs/dbraw/zinc/71/60/99/559716099.db2.gz	KHNWARYILPHDTR-IHPCNDPISA-N	1	1	373.497	2.034	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000425908512	559724905	/nfs/dbraw/zinc/72/49/05/559724905.db2.gz	IFZLTQPFHYAGNY-KXBFYZLASA-N	1	1	368.481	2.211	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)NCC[NH+]2CCC2)ccc1Oc1ccccc1	ZINC000426930470	559744392	/nfs/dbraw/zinc/74/43/92/559744392.db2.gz	BAAMOXNXAORSGW-UHFFFAOYSA-N	1	1	364.405	2.111	20	30		FEEDMO
C=CCC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1	ZINC000427121870	559748516	/nfs/dbraw/zinc/74/85/16/559748516.db2.gz	MNRZIKXCTCPIDR-RTBURBONSA-N	1	1	357.498	2.440	20	30		FEEDMO
Cc1ccc([C@@H](CNS(=O)(=O)c2cccnc2C#N)[NH+]2CCCC2)cc1	ZINC000428238445	559772140	/nfs/dbraw/zinc/77/21/40/559772140.db2.gz	DJIOYOCSUKCMFF-GOSISDBHSA-N	1	1	370.478	2.377	20	30		FEEDMO
N#Cc1ccc(C[C@H](C#N)C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1	ZINC000428549547	559777855	/nfs/dbraw/zinc/77/78/55/559777855.db2.gz	QBCMAOGHUXGAAI-CTNGQTDRSA-N	1	1	374.444	2.446	20	30		FEEDMO
COC(=O)[C@]1(c2ccccc2)CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1	ZINC000428772343	559782859	/nfs/dbraw/zinc/78/28/59/559782859.db2.gz	LQTPQKMUTUDTJA-OAQYLSRUSA-N	1	1	363.417	2.313	20	30		FEEDMO
COC(=O)[C@]1(c2ccccc2)CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1	ZINC000428772343	559782860	/nfs/dbraw/zinc/78/28/60/559782860.db2.gz	LQTPQKMUTUDTJA-OAQYLSRUSA-N	1	1	363.417	2.313	20	30		FEEDMO
COC(=O)c1ccccc1OCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428785562	559783251	/nfs/dbraw/zinc/78/32/51/559783251.db2.gz	GVGCVGWJOOVUHT-MRXNPFEDSA-N	1	1	367.405	2.272	20	30		FEEDMO
C=CCN(CCC#N)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1	ZINC000428833137	559784418	/nfs/dbraw/zinc/78/44/18/559784418.db2.gz	IJBBLGSFXDMYQM-UHFFFAOYSA-N	1	1	354.498	2.431	20	30		FEEDMO
C=CCN(CCOC)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000429025054	559789036	/nfs/dbraw/zinc/78/90/36/559789036.db2.gz	FRWCSFOTCQXVIV-GOSISDBHSA-N	1	1	363.527	2.448	20	30		FEEDMO
C=CCN(CCOC)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000429025054	559789037	/nfs/dbraw/zinc/78/90/37/559789037.db2.gz	FRWCSFOTCQXVIV-GOSISDBHSA-N	1	1	363.527	2.448	20	30		FEEDMO
CCC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(N)=O	ZINC000429124765	559791208	/nfs/dbraw/zinc/79/12/08/559791208.db2.gz	ARYMMJRCHFXXEJ-UHFFFAOYSA-N	1	1	362.499	2.415	20	30		FEEDMO
C[C@H]1CC[C@H]([N@@H+](CCO)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000429773994	559805443	/nfs/dbraw/zinc/80/54/43/559805443.db2.gz	SAFLQQHEOBJAPG-YJBOKZPZSA-N	1	1	367.453	2.165	20	30		FEEDMO
C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000430085274	559812817	/nfs/dbraw/zinc/81/28/17/559812817.db2.gz	LWMIXKDNDMAYNX-CYBMUJFWSA-N	1	1	361.389	2.043	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCN(S(C)(=O)=O)C1	ZINC000430085274	559812818	/nfs/dbraw/zinc/81/28/18/559812818.db2.gz	LWMIXKDNDMAYNX-CYBMUJFWSA-N	1	1	361.389	2.043	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12	ZINC000432462447	559859339	/nfs/dbraw/zinc/85/93/39/559859339.db2.gz	SXNYCRIHXGPLPR-ZWKOTPCHSA-N	1	1	354.454	2.410	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](C#N)CCc2ccccc2)CC1	ZINC000433358541	559878434	/nfs/dbraw/zinc/87/84/34/559878434.db2.gz	BUTBCZNDGPFUQS-QUCCMNQESA-N	1	1	356.514	2.149	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000434834845	559910406	/nfs/dbraw/zinc/91/04/06/559910406.db2.gz	VTAWXOXYEGAJPF-QGZVFWFLSA-N	1	1	366.469	2.207	20	30		FEEDMO
COCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CCOC1	ZINC000434990701	559913942	/nfs/dbraw/zinc/91/39/42/559913942.db2.gz	ISBLDNHTXGGNAW-GOSISDBHSA-N	1	1	355.442	2.096	20	30		FEEDMO
CCOC(=O)[C@]1(COC)CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000439474653	559994757	/nfs/dbraw/zinc/99/47/57/559994757.db2.gz	XWDSGBCOTZFMFK-MGPUTAFESA-N	1	1	373.453	2.177	20	30		FEEDMO
CCOC(=O)[C@]1(COC)CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1	ZINC000439474653	559994758	/nfs/dbraw/zinc/99/47/58/559994758.db2.gz	XWDSGBCOTZFMFK-MGPUTAFESA-N	1	1	373.453	2.177	20	30		FEEDMO
CSCCC[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000439472618	559994962	/nfs/dbraw/zinc/99/49/62/559994962.db2.gz	SPJOSLDIIABLGS-HNNXBMFYSA-N	1	1	366.556	2.142	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440491303	560012272	/nfs/dbraw/zinc/01/22/72/560012272.db2.gz	GZFTXGAMUZQUJV-OXQOHEQNSA-N	1	1	367.534	2.195	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1	ZINC000440491303	560012273	/nfs/dbraw/zinc/01/22/73/560012273.db2.gz	GZFTXGAMUZQUJV-OXQOHEQNSA-N	1	1	367.534	2.195	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2nccnc2C)CC1	ZINC000440531651	560013926	/nfs/dbraw/zinc/01/39/26/560013926.db2.gz	MVHFUNWVMUZKEV-IBGZPJMESA-N	1	1	368.481	2.075	20	30		FEEDMO
CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@@H]1C	ZINC000441090061	560023389	/nfs/dbraw/zinc/02/33/89/560023389.db2.gz	CAWPVIZPTATDBT-LSDHHAIUSA-N	1	1	372.469	2.225	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)C[C@@H]1C	ZINC000441090061	560023390	/nfs/dbraw/zinc/02/33/90/560023390.db2.gz	CAWPVIZPTATDBT-LSDHHAIUSA-N	1	1	372.469	2.225	20	30		FEEDMO
COC(=O)[C@H]1CC12CC[NH+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2	ZINC000441380455	560030433	/nfs/dbraw/zinc/03/04/33/560030433.db2.gz	GTAUHBBQWBKYSS-OAHLLOKOSA-N	1	1	352.394	2.383	20	30		FEEDMO
CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000441979899	560041785	/nfs/dbraw/zinc/04/17/85/560041785.db2.gz	IGLGRKDHBJLRNB-UHFFFAOYSA-N	1	1	370.375	2.364	20	30		FEEDMO
CC(C)[C@H](C(=O)OC(C)(C)C)N1CC[C@H]([NH2+]Cc2ccc(C#N)o2)C1=O	ZINC000442997915	560065514	/nfs/dbraw/zinc/06/55/14/560065514.db2.gz	CHBQRZXQEWXVET-JKSUJKDBSA-N	1	1	361.442	2.208	20	30		FEEDMO
CCN1CC[NH+]([C@@H]2CCN(c3ccc(C(F)(F)F)c(C#N)n3)C2)CC1	ZINC000443523821	560086385	/nfs/dbraw/zinc/08/63/85/560086385.db2.gz	QSQMRXOENWUGRK-CYBMUJFWSA-N	1	1	353.392	2.188	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C	ZINC000447927402	560173478	/nfs/dbraw/zinc/17/34/78/560173478.db2.gz	OZIYTZWVEBLRBI-NQIIRXRSSA-N	1	1	360.498	2.453	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C	ZINC000448326049	560184678	/nfs/dbraw/zinc/18/46/78/560184678.db2.gz	VWAXGDULSMWTCK-QGZVFWFLSA-N	1	1	372.469	2.132	20	30		FEEDMO
C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc(C#N)n2C)C[C@@H](C)O1	ZINC000448714132	560196196	/nfs/dbraw/zinc/19/61/96/560196196.db2.gz	NZUSCECLPDBYCM-HZPDHXFCSA-N	1	1	366.465	2.436	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000448983015	560210274	/nfs/dbraw/zinc/21/02/74/560210274.db2.gz	ZAFHOCFRWDTOQE-AWEZNQCLSA-N	1	1	362.861	2.021	20	30		FEEDMO
N#Cc1c(Br)cccc1OCC(=O)N1CC[NH+](C2CC2)CC1	ZINC000449810928	560240856	/nfs/dbraw/zinc/24/08/56/560240856.db2.gz	JMTOYRNAESHODH-UHFFFAOYSA-N	1	1	364.243	2.006	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)Cc1ccc(F)cc1C#N)C1CCCCC1	ZINC000451133404	560288993	/nfs/dbraw/zinc/28/89/93/560288993.db2.gz	YTSKUCWNGBDKTG-UHFFFAOYSA-N	1	1	353.463	2.381	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1	ZINC000451151045	560289980	/nfs/dbraw/zinc/28/99/80/560289980.db2.gz	VEERVKWOTGLOLG-CQSZACIVSA-N	1	1	355.891	2.416	20	30		FEEDMO
C[C@@H]1C[C@]1(C#N)C(=O)NC1CC([N@@H+](CC(=O)OC(C)(C)C)CC2CC2)C1	ZINC000451157878	560290420	/nfs/dbraw/zinc/29/04/20/560290420.db2.gz	JBRDABAGHUEHPM-WJDTXIQTSA-N	1	1	361.486	2.237	20	30		FEEDMO
C[C@@H]1C[C@]1(C#N)C(=O)NC1CC([N@H+](CC(=O)OC(C)(C)C)CC2CC2)C1	ZINC000451157878	560290421	/nfs/dbraw/zinc/29/04/21/560290421.db2.gz	JBRDABAGHUEHPM-WJDTXIQTSA-N	1	1	361.486	2.237	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(CC#N)cc1Cl	ZINC000451190187	560292288	/nfs/dbraw/zinc/29/22/88/560292288.db2.gz	KLXDBURKOZRBBQ-OCCSQVGLSA-N	1	1	353.875	2.263	20	30		FEEDMO
CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000451253352	560296123	/nfs/dbraw/zinc/29/61/23/560296123.db2.gz	JNWGCEWMFDTREN-NVXWUHKLSA-N	1	1	368.399	2.266	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)C[N@@H+]1C1CC1	ZINC000451293856	560298471	/nfs/dbraw/zinc/29/84/71/560298471.db2.gz	FZZKVRATHVFNNS-YPMHNXCESA-N	1	1	353.875	2.310	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)C[N@H+]1C1CC1	ZINC000451293856	560298472	/nfs/dbraw/zinc/29/84/72/560298472.db2.gz	FZZKVRATHVFNNS-YPMHNXCESA-N	1	1	353.875	2.310	20	30		FEEDMO
C=CCn1c([C@@H]2CCCO2)nnc1N1CC[N@@H+](CCOC)[C@H](CCC)C1	ZINC000453425643	560386405	/nfs/dbraw/zinc/38/64/05/560386405.db2.gz	NQEFGUHVLCCGKU-SJORKVTESA-N	1	1	363.506	2.253	20	30		FEEDMO
C=CCn1c(N2CC[N@@H+](CCOC)[C@@H](CC)C2)nnc1[C@]1(C)CCCO1	ZINC000453447458	560386876	/nfs/dbraw/zinc/38/68/76/560386876.db2.gz	XKGSDNSPDAHQHT-LPHOPBHVSA-N	1	1	363.506	2.037	20	30		FEEDMO
C=CCn1c([C@H](C)OCCOC)nnc1N1CCC[N@H+](C(C)C)CC1	ZINC000453452367	560387185	/nfs/dbraw/zinc/38/71/85/560387185.db2.gz	SYHRQFRKROTLRB-INIZCTEOSA-N	1	1	351.495	2.109	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453650530	560393470	/nfs/dbraw/zinc/39/34/70/560393470.db2.gz	WOHZRTJXKHDOAD-UHFFFAOYSA-N	1	1	360.458	2.130	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(CC#N)cc3Cl)CC[C@@H]21	ZINC000453670688	560395426	/nfs/dbraw/zinc/39/54/26/560395426.db2.gz	JLKRTNMRDUKIKY-PBHICJAKSA-N	1	1	374.872	2.287	20	30		FEEDMO
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CC#N)c1	ZINC000453676594	560395887	/nfs/dbraw/zinc/39/58/87/560395887.db2.gz	UKTJWIGYJQTOAM-GOSISDBHSA-N	1	1	356.470	2.318	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453691155	560397144	/nfs/dbraw/zinc/39/71/44/560397144.db2.gz	JEBDYFCVMHAALZ-CQSZACIVSA-N	1	1	362.861	2.287	20	30		FEEDMO
Cc1nc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)ccc1C#N	ZINC000453725999	560399818	/nfs/dbraw/zinc/39/98/18/560399818.db2.gz	CWNNYJWXPHBMAV-KRWDZBQOSA-N	1	1	369.469	2.114	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453771260	560403127	/nfs/dbraw/zinc/40/31/27/560403127.db2.gz	UJMAVJGPUVBNIM-CABCVRRESA-N	1	1	374.872	2.430	20	30		FEEDMO
C=CCC[C@@H](CO)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2	ZINC000454048763	560424772	/nfs/dbraw/zinc/42/47/72/560424772.db2.gz	BHKRJFHOGJTCOL-RDJZCZTQSA-N	1	1	373.497	2.429	20	30		FEEDMO
C[N@@H+](CCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CC1	ZINC000454097676	560429074	/nfs/dbraw/zinc/42/90/74/560429074.db2.gz	PCPWCNVPZSJPSE-UHFFFAOYSA-N	1	1	356.470	2.417	20	30		FEEDMO
C=CCCCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1	ZINC000454825018	560459562	/nfs/dbraw/zinc/45/95/62/560459562.db2.gz	YDBRIQLBORXTFW-IBGZPJMESA-N	1	1	364.534	2.319	20	30		FEEDMO
C[C@H]1C[N@@H+](CCCNC(=O)Nc2cnc(C#N)c(Cl)c2)CCCO1	ZINC000455760076	560494040	/nfs/dbraw/zinc/49/40/40/560494040.db2.gz	MDVXMOWHLIWFAQ-LBPRGKRZSA-N	1	1	351.838	2.229	20	30		FEEDMO
C=CCN(C)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1	ZINC000455899811	560499549	/nfs/dbraw/zinc/49/95/49/560499549.db2.gz	NQYYZVOSJKZXST-UHFFFAOYSA-N	1	1	368.279	2.246	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1C#N	ZINC000456228889	560512556	/nfs/dbraw/zinc/51/25/56/560512556.db2.gz	REQMMFWEJGVRGW-BETUJISGSA-N	1	1	374.510	2.080	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1C#N	ZINC000456228889	560512557	/nfs/dbraw/zinc/51/25/57/560512557.db2.gz	REQMMFWEJGVRGW-BETUJISGSA-N	1	1	374.510	2.080	20	30		FEEDMO
C[C@@H]1CC[C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)O1	ZINC000459171326	560672184	/nfs/dbraw/zinc/67/21/84/560672184.db2.gz	QDZYRYDYRDDLNL-APWZRJJASA-N	1	1	356.470	2.343	20	30		FEEDMO
Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N	ZINC000459455446	560687337	/nfs/dbraw/zinc/68/73/37/560687337.db2.gz	FJRHXPKGDWCXMJ-AZUAARDMSA-N	1	1	365.481	2.446	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC2(CC1)OCCc1ccccc12	ZINC000459527850	560692061	/nfs/dbraw/zinc/69/20/61/560692061.db2.gz	QGJRANGWZMCVMZ-UHFFFAOYSA-N	1	1	366.465	2.206	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C(C)(C)CN(C)C)c1C#N	ZINC000459550681	560693496	/nfs/dbraw/zinc/69/34/96/560693496.db2.gz	QAIXPFVGURPKLM-UHFFFAOYSA-N	1	1	371.485	2.486	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1	ZINC000459586724	560696024	/nfs/dbraw/zinc/69/60/24/560696024.db2.gz	PMBJJONLYQIMAB-CCKFTAQKSA-N	1	1	351.491	2.483	20	30		FEEDMO
C=C[C@H](CO)NC(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1	ZINC000460360063	560742297	/nfs/dbraw/zinc/74/22/97/560742297.db2.gz	DAINMNCPDLXJGQ-MRXNPFEDSA-N	1	1	370.453	2.152	20	30		FEEDMO
C[C@@H]1C[NH+](CCCCNS(=O)(=O)CC2(C#N)CCCCC2)C[C@@H](C)O1	ZINC000460475280	560744204	/nfs/dbraw/zinc/74/42/04/560744204.db2.gz	YKPCEZCGZRUMQM-IAGOWNOFSA-N	1	1	371.547	2.269	20	30		FEEDMO
N#C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000461944955	560788983	/nfs/dbraw/zinc/78/89/83/560788983.db2.gz	WNEHEBKCNUVKDZ-ZYSHUDEJSA-N	1	1	356.470	2.135	20	30		FEEDMO
N#C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000461944953	560789135	/nfs/dbraw/zinc/78/91/35/560789135.db2.gz	WNEHEBKCNUVKDZ-KFKAGJAMSA-N	1	1	356.470	2.135	20	30		FEEDMO
Cc1nc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c(Cl)cc1C#N	ZINC000461951425	560789507	/nfs/dbraw/zinc/78/95/07/560789507.db2.gz	XMDGKSHQNVZPJB-UHFFFAOYSA-N	1	1	357.849	2.098	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@H]1C	ZINC000462078783	560795435	/nfs/dbraw/zinc/79/54/35/560795435.db2.gz	AODWOBIRCZMTME-KGLIPLIRSA-N	1	1	353.430	2.085	20	30		FEEDMO
CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1C	ZINC000462078784	560795620	/nfs/dbraw/zinc/79/56/20/560795620.db2.gz	AODWOBIRCZMTME-UONOGXRCSA-N	1	1	353.430	2.085	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000467022145	560901674	/nfs/dbraw/zinc/90/16/74/560901674.db2.gz	HCFSLQYJDLFONU-QFBILLFUSA-N	1	1	368.481	2.312	20	30		FEEDMO
C=CCC[N@H+](C)Cc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC	ZINC000467302488	560908283	/nfs/dbraw/zinc/90/82/83/560908283.db2.gz	ZHISBFVDLQYHEI-UHFFFAOYSA-N	1	1	350.488	2.314	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000469605762	560959559	/nfs/dbraw/zinc/95/95/59/560959559.db2.gz	XHFROFIXEUBOQG-CQSZACIVSA-N	1	1	372.425	2.389	20	30		FEEDMO
Cc1cc(=NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)[nH]n1CCC#N	ZINC000469734685	560963259	/nfs/dbraw/zinc/96/32/59/560963259.db2.gz	QDFMFEAKCGLATA-UHFFFAOYSA-N	1	1	371.351	2.876	20	30		FEEDMO
C[C@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)CC[N@@H+]1CCO	ZINC000469834132	560965918	/nfs/dbraw/zinc/96/59/18/560965918.db2.gz	LBOBSZFPXIVUGF-INIZCTEOSA-N	1	1	354.454	2.084	20	30		FEEDMO
C[C@H]1CN(C(=O)c2cn(CCCC#N)c3ccccc23)CC[N@H+]1CCO	ZINC000469834132	560965919	/nfs/dbraw/zinc/96/59/19/560965919.db2.gz	LBOBSZFPXIVUGF-INIZCTEOSA-N	1	1	354.454	2.084	20	30		FEEDMO
CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC[N@H+]1CCCC(C)(C)C1	ZINC000470283939	560978041	/nfs/dbraw/zinc/97/80/41/560978041.db2.gz	OYZCMBWMCVUWJF-LJQANCHMSA-N	1	1	351.491	2.486	20	30		FEEDMO
CC[N@@H+](CCNC(=O)[C@@H]1CCCN(c2nc(C)ccc2C#N)C1)C(C)C	ZINC000471968552	561015182	/nfs/dbraw/zinc/01/51/82/561015182.db2.gz	OZNAARAXWRQRQB-GOSISDBHSA-N	1	1	357.502	2.325	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCC[N@H+](C)C(C)C)C2)n1	ZINC000472027899	561016315	/nfs/dbraw/zinc/01/63/15/561016315.db2.gz	BVBVWSMUKQWIIN-SFHVURJKSA-N	1	1	357.502	2.325	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](CCOc3c(C)cccc3C)CC2)c1C#N	ZINC000472177233	561020239	/nfs/dbraw/zinc/02/02/39/561020239.db2.gz	WFIRCVPZWUOTEI-UHFFFAOYSA-N	1	1	353.470	2.418	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000473308735	561047319	/nfs/dbraw/zinc/04/73/19/561047319.db2.gz	RJRZYQIGVJJIQL-CQSZACIVSA-N	1	1	374.872	2.340	20	30		FEEDMO
COc1ccc(C#N)cc1NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1	ZINC000473653915	561055119	/nfs/dbraw/zinc/05/51/19/561055119.db2.gz	KBKIVPRQELCLLF-UHFFFAOYSA-N	1	1	359.474	2.104	20	30		FEEDMO
C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COc2cccnc2C#N)CC1	ZINC000477032649	561134690	/nfs/dbraw/zinc/13/46/90/561134690.db2.gz	CMLIAFMCNOVLHV-INIZCTEOSA-N	1	1	350.422	2.237	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)CC1	ZINC000528475475	562331247	/nfs/dbraw/zinc/33/12/47/562331247.db2.gz	PCIDNCFZXDWOQP-GQIGUUNPSA-N	1	1	356.470	2.430	20	30		FEEDMO
C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000528528376	562334313	/nfs/dbraw/zinc/33/43/13/562334313.db2.gz	BZFQPSPAQFVICC-HNAYVOBHSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1cncc(C#N)c1	ZINC000528528376	562334314	/nfs/dbraw/zinc/33/43/14/562334314.db2.gz	BZFQPSPAQFVICC-HNAYVOBHSA-N	1	1	370.478	2.142	20	30		FEEDMO
N#Cc1cnn2cc(C[NH+]3CCN(c4cccc5[nH]ccc54)CC3)cnc12	ZINC000529670378	562380651	/nfs/dbraw/zinc/38/06/51/562380651.db2.gz	SXYOYCWEBQIGCF-UHFFFAOYSA-N	1	1	357.421	2.404	20	30		FEEDMO
N#Cc1cnn(-c2ccc(C(=O)NC[C@H]3CC[N@H+]3C3CCCC3)cc2)c1N	ZINC000530023524	562394565	/nfs/dbraw/zinc/39/45/65/562394565.db2.gz	FWYAIPLQODDZPR-GOSISDBHSA-N	1	1	364.453	2.073	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1	ZINC000530026169	562395119	/nfs/dbraw/zinc/39/51/19/562395119.db2.gz	AJXZIHUQEUGJMN-SFHVURJKSA-N	1	1	357.502	2.479	20	30		FEEDMO
C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCC1	ZINC000530336768	562407426	/nfs/dbraw/zinc/40/74/26/562407426.db2.gz	VFXZMKJDWOBHDL-JENIJYKNSA-N	1	1	354.498	2.438	20	30		FEEDMO
C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCC1	ZINC000530336768	562407427	/nfs/dbraw/zinc/40/74/27/562407427.db2.gz	VFXZMKJDWOBHDL-JENIJYKNSA-N	1	1	354.498	2.438	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C1	ZINC000530960691	562430070	/nfs/dbraw/zinc/43/00/70/562430070.db2.gz	OZXCWZMSVDSXIB-LLVKDONJSA-N	1	1	361.389	2.197	20	30		FEEDMO
C=C1CC[NH+]([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1	ZINC000532961497	562493920	/nfs/dbraw/zinc/49/39/20/562493920.db2.gz	PFGZAAXOJONCPF-GOSISDBHSA-N	1	1	357.498	2.176	20	30		FEEDMO
CO[C@@H](C)C[N@@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)C	ZINC000532970476	562494115	/nfs/dbraw/zinc/49/41/15/562494115.db2.gz	MXUOROFFVQGRSE-HNNXBMFYSA-N	1	1	355.442	2.428	20	30		FEEDMO
N#Cc1ccsc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000534917939	562545192	/nfs/dbraw/zinc/54/51/92/562545192.db2.gz	YGIHJEKFWPRLEU-IRXDYDNUSA-N	1	1	355.463	2.233	20	30		FEEDMO
COC(=O)c1cccc(C[N@H+](C)C[C@@H](O)COCc2ccccc2)c1C#N	ZINC000535208412	562553134	/nfs/dbraw/zinc/55/31/34/562553134.db2.gz	WBZYCSDIOIXRCL-GOSISDBHSA-N	1	1	368.433	2.354	20	30		FEEDMO
COC(=O)c1cccc(C[N@@H+](C)C[C@@H](O)COCc2ccccc2)c1C#N	ZINC000535208412	562553135	/nfs/dbraw/zinc/55/31/35/562553135.db2.gz	WBZYCSDIOIXRCL-GOSISDBHSA-N	1	1	368.433	2.354	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000536587459	562579848	/nfs/dbraw/zinc/57/98/48/562579848.db2.gz	GWVVOYJXHWMDMC-MRXNPFEDSA-N	1	1	365.474	2.191	20	30		FEEDMO
C[C@@H]1C[NH+](CCOC2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)O1	ZINC000536916904	562582704	/nfs/dbraw/zinc/58/27/04/562582704.db2.gz	ORGRPZUGAFFRAH-IAGOWNOFSA-N	1	1	371.481	2.289	20	30		FEEDMO
C=CC[C@@H](CO)CNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2	ZINC000537066281	562585056	/nfs/dbraw/zinc/58/50/56/562585056.db2.gz	XLJODAUQRKUOTG-JKSUJKDBSA-N	1	1	373.497	2.286	20	30		FEEDMO
N#CC1(NC(=O)c2cn3cccnc3n2)CC[NH+](Cc2ccccc2)CC1	ZINC000540898682	562595994	/nfs/dbraw/zinc/59/59/94/562595994.db2.gz	WCUHODKRZGPBCW-UHFFFAOYSA-N	1	1	360.421	2.017	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C[C@H](C)N1CC#N	ZINC000602854526	568002060	/nfs/dbraw/zinc/00/20/60/568002060.db2.gz	CKZNTDQFEQVXLO-LZWOXQAQSA-N	1	1	371.403	2.363	20	30		FEEDMO
C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602857183	568002497	/nfs/dbraw/zinc/00/24/97/568002497.db2.gz	PUYDYLYPSQMLDG-BBWFWOEESA-N	1	1	367.497	2.133	20	30		FEEDMO
C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1	ZINC000602857183	568002499	/nfs/dbraw/zinc/00/24/99/568002499.db2.gz	PUYDYLYPSQMLDG-BBWFWOEESA-N	1	1	367.497	2.133	20	30		FEEDMO
C[C@@H](CCC#N)CNc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1	ZINC000602652419	568005546	/nfs/dbraw/zinc/00/55/46/568005546.db2.gz	ZFDQQAGANSDBLX-INIZCTEOSA-N	1	1	364.515	2.365	20	30		FEEDMO
C[C@@H](CCC#N)CNc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1	ZINC000602652419	568005547	/nfs/dbraw/zinc/00/55/47/568005547.db2.gz	ZFDQQAGANSDBLX-INIZCTEOSA-N	1	1	364.515	2.365	20	30		FEEDMO
N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1	ZINC000602821606	568045155	/nfs/dbraw/zinc/04/51/55/568045155.db2.gz	PFFAKJNWZSSLRH-IRXDYDNUSA-N	1	1	356.861	2.301	20	30		FEEDMO
N#CCCN(C(=O)Cn1cc(C[NH+]2CCCC2)nn1)c1cccc(Cl)c1	ZINC000603177265	568068194	/nfs/dbraw/zinc/06/81/94/568068194.db2.gz	OQWNLLFQADYDET-UHFFFAOYSA-N	1	1	372.860	2.474	20	30		FEEDMO
COCC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C2CC2)C[C@@H]1C	ZINC000568639201	568103382	/nfs/dbraw/zinc/10/33/82/568103382.db2.gz	AHGWWUWTDGOYOR-HNNXBMFYSA-N	1	1	366.469	2.309	20	30		FEEDMO
Cc1nccc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)n1	ZINC000603834464	568158802	/nfs/dbraw/zinc/15/88/02/568158802.db2.gz	VARWMHPXYCRZHT-RTBURBONSA-N	1	1	366.465	2.470	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000570367159	568480925	/nfs/dbraw/zinc/48/09/25/568480925.db2.gz	NDTSSDJOXZHQPS-YOEHRIQHSA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000570367159	568480926	/nfs/dbraw/zinc/48/09/26/568480926.db2.gz	NDTSSDJOXZHQPS-YOEHRIQHSA-N	1	1	356.451	2.067	20	30		FEEDMO
COCCOc1cc(C)ccc1C[NH2+]Cc1cnc2c(C#N)cnn2c1	ZINC000584721723	568516975	/nfs/dbraw/zinc/51/69/75/568516975.db2.gz	WMNYGLYWQZSZGC-UHFFFAOYSA-N	1	1	351.410	2.224	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1	ZINC000737035274	598983159	/nfs/dbraw/zinc/98/31/59/598983159.db2.gz	PZKXELVOEYWSHN-UHFFFAOYSA-N	1	1	364.409	2.258	20	30		FEEDMO
C[C@H]1C[NH+]=C(NN=Cc2cc(Br)cc(Br)c2)N1	ZINC000807981140	674436817	/nfs/dbraw/zinc/43/68/17/674436817.db2.gz	HQIRXKCEWAVVSK-ZETCQYMHSA-N	1	1	360.053	2.483	20	30		FEEDMO
CC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2)C[C@@H](C)C#N	ZINC000736533586	598759980	/nfs/dbraw/zinc/75/99/80/598759980.db2.gz	ACYMMJAJAQDRJQ-NSHDSACASA-N	1	1	373.486	2.227	20	30		FEEDMO
C[C@H](O)c1ncc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1	ZINC000809636488	674502073	/nfs/dbraw/zinc/50/20/73/674502073.db2.gz	BJMYXKMFYWSJMI-LRDDRELGSA-N	1	1	356.451	2.353	20	30		FEEDMO
CC[C@H](C#N)Oc1cc(C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)ccc1OC	ZINC000833636442	605227186	/nfs/dbraw/zinc/22/71/86/605227186.db2.gz	ROZUBFGLSZKETL-MRXNPFEDSA-N	1	1	361.442	2.015	20	30		FEEDMO
O=C(NC[C@H]1CCC[N@H+](CCOCC(F)(F)C(F)F)C1)C(F)(F)F	ZINC000810068167	674529245	/nfs/dbraw/zinc/52/92/45/674529245.db2.gz	JOTNWFAYKKIGCB-SECBINFHSA-N	1	1	368.293	2.294	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C(F)(F)F)C1	ZINC000810070662	674529534	/nfs/dbraw/zinc/52/95/34/674529534.db2.gz	RQZJAVLZAGBMFH-ZIAGYGMSSA-N	1	1	363.424	2.190	20	30		FEEDMO
N#Cc1csc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1	ZINC000810133583	674534324	/nfs/dbraw/zinc/53/43/24/674534324.db2.gz	JGZBWAZDXHSCJH-CQSZACIVSA-N	1	1	355.467	2.006	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC1	ZINC000810202809	674536836	/nfs/dbraw/zinc/53/68/36/674536836.db2.gz	PSYYHBZRGLPMQM-UHFFFAOYSA-N	1	1	362.783	2.031	20	30		FEEDMO
N#Cc1csc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1	ZINC000826387887	608515612	/nfs/dbraw/zinc/51/56/12/608515612.db2.gz	XEEJDENPCDJYNU-UHFFFAOYSA-N	1	1	351.439	2.122	20	30		FEEDMO
CC[C@@H]1C[N@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1	ZINC000560328472	674577771	/nfs/dbraw/zinc/57/77/71/674577771.db2.gz	GZBRUHUSMNDEHL-CYBMUJFWSA-N	1	1	366.259	2.252	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)COc1ccc(C#N)c(Br)c1	ZINC000560328472	674577773	/nfs/dbraw/zinc/57/77/73/674577773.db2.gz	GZBRUHUSMNDEHL-CYBMUJFWSA-N	1	1	366.259	2.252	20	30		FEEDMO
N#Cc1nccc(NCCC[NH+]2CCN(c3ccccc3Cl)CC2)n1	ZINC000563421495	674884952	/nfs/dbraw/zinc/88/49/52/674884952.db2.gz	XKYRSMLDUBESRQ-UHFFFAOYSA-N	1	1	356.861	2.048	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(C)c(Br)cc1C	ZINC000815082152	674913980	/nfs/dbraw/zinc/91/39/80/674913980.db2.gz	BPPNTAXNBYRLJB-UHFFFAOYSA-N	1	1	373.316	2.299	20	30		FEEDMO
C=CC[N@H+](C[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C1CC1	ZINC000816568839	675065708	/nfs/dbraw/zinc/06/57/08/675065708.db2.gz	ROTYKOPQINKQDT-OAHLLOKOSA-N	1	1	351.491	2.400	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1cc(Cl)ccc1OC(F)F	ZINC000817140595	675103423	/nfs/dbraw/zinc/10/34/23/675103423.db2.gz	BWOTYXNRLQMQKL-UHFFFAOYSA-N	1	1	366.817	2.175	20	30		FEEDMO
C=C(Br)CNC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000105196681	670799021	/nfs/dbraw/zinc/79/90/21/670799021.db2.gz	UPRBLJFTWHFOPG-GASCZTMLSA-N	1	1	373.339	2.095	20	30		FEEDMO
CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000571304605	670853246	/nfs/dbraw/zinc/85/32/46/670853246.db2.gz	ULUXGNONABIBFS-ZDUSSCGKSA-N	1	1	372.288	2.035	20	30		FEEDMO
CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000571304605	670853253	/nfs/dbraw/zinc/85/32/53/670853253.db2.gz	ULUXGNONABIBFS-ZDUSSCGKSA-N	1	1	372.288	2.035	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1	ZINC000576343989	671362278	/nfs/dbraw/zinc/36/22/78/671362278.db2.gz	NBURGNHGQBAYEN-CLCXKQKWSA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1	ZINC000576343989	671362281	/nfs/dbraw/zinc/36/22/81/671362281.db2.gz	NBURGNHGQBAYEN-CLCXKQKWSA-N	1	1	351.491	2.341	20	30		FEEDMO
CC(=O)N1CC[NH+](Cc2cccc(NCc3nc(C#N)cs3)c2)CC1	ZINC000577717900	671615771	/nfs/dbraw/zinc/61/57/71/671615771.db2.gz	UYEAXGQEZUZNKG-UHFFFAOYSA-N	1	1	355.467	2.291	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1	ZINC000609403379	675921438	/nfs/dbraw/zinc/92/14/38/675921438.db2.gz	QVGOIDAMISIKAR-ZIAGYGMSSA-N	1	1	360.483	2.087	20	30		FEEDMO
N#Cc1csc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)n1	ZINC000578404271	671662684	/nfs/dbraw/zinc/66/26/84/671662684.db2.gz	PCTYOJPJQBALHL-UHFFFAOYSA-N	1	1	365.256	2.297	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)CC[N@H+]1C	ZINC000578460579	671667083	/nfs/dbraw/zinc/66/70/83/671667083.db2.gz	SKXGGJLOCKDQNY-WDEREUQCSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(Br)c2C#N)CC[N@H+]1C	ZINC000578460577	671667112	/nfs/dbraw/zinc/66/71/12/671667112.db2.gz	SKXGGJLOCKDQNY-MNOVXSKESA-N	1	1	372.288	2.082	20	30		FEEDMO
C[C@H](SC[C@H]1C[N@H+](C)CCO1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000580833021	671838421	/nfs/dbraw/zinc/83/84/21/671838421.db2.gz	QVMMINMKYCUQBO-BNQMIIOLSA-N	1	1	353.532	2.370	20	30		FEEDMO
C[C@H](SC[C@H]1C[N@@H+](C)CCO1)C(=O)N(C)C1(C#N)CCC(C)CC1	ZINC000580833021	671838427	/nfs/dbraw/zinc/83/84/27/671838427.db2.gz	QVMMINMKYCUQBO-BNQMIIOLSA-N	1	1	353.532	2.370	20	30		FEEDMO
CO[C@@H]1COC[C@H]1[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000581665377	671923486	/nfs/dbraw/zinc/92/34/86/671923486.db2.gz	JFRIDBBPRRWJTJ-KCPJHIHWSA-N	1	1	363.483	2.219	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC1	ZINC000124098898	671990691	/nfs/dbraw/zinc/99/06/91/671990691.db2.gz	UCROEPDBWYZHIZ-OAHLLOKOSA-N	1	1	363.255	2.093	20	30		FEEDMO
C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(=O)n2ccsc2n1	ZINC000582809620	672035742	/nfs/dbraw/zinc/03/57/42/672035742.db2.gz	XFWQIPVMGWUNCN-UHFFFAOYSA-N	1	1	354.435	2.276	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)c1cccc(Cl)c1	ZINC000583990760	672145391	/nfs/dbraw/zinc/14/53/91/672145391.db2.gz	NIFZNVMUMPAZQV-CYBMUJFWSA-N	1	1	358.833	2.194	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1)c1cccc(Cl)c1	ZINC000583990760	672145393	/nfs/dbraw/zinc/14/53/93/672145393.db2.gz	NIFZNVMUMPAZQV-CYBMUJFWSA-N	1	1	358.833	2.194	20	30		FEEDMO
C#CCOCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000151917878	672171612	/nfs/dbraw/zinc/17/16/12/672171612.db2.gz	UYNRXCFUHURKPG-INIZCTEOSA-N	1	1	354.372	2.436	20	30		FEEDMO
C=C[C@@](C)(O)CC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000584439604	672187839	/nfs/dbraw/zinc/18/78/39/672187839.db2.gz	DJVKYYFGYCCPGZ-LJQANCHMSA-N	1	1	365.905	2.295	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC[N@H+](C2CCC2)C1	ZINC000584756267	672212692	/nfs/dbraw/zinc/21/26/92/672212692.db2.gz	TZVDYTZXSATDSY-AWEZNQCLSA-N	1	1	365.474	2.333	20	30		FEEDMO
N#Cc1ccc(OC2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1	ZINC000586783666	672434406	/nfs/dbraw/zinc/43/44/06/672434406.db2.gz	YFKUGWFEOIHOMZ-CQSZACIVSA-N	1	1	366.458	2.365	20	30		FEEDMO
C=CCn1nnn(CN2CC[NH+]([C@H](C)c3ccsc3)CC2)c1=S	ZINC000184952185	672513492	/nfs/dbraw/zinc/51/34/92/672513492.db2.gz	KVOCXEYFEOINTC-CYBMUJFWSA-N	1	1	350.517	2.393	20	30		FEEDMO
C[NH+](C)[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)c1ccc(Cl)cc1	ZINC000589282300	672519088	/nfs/dbraw/zinc/51/90/88/672519088.db2.gz	TXJFQHNKKBPJIV-INIZCTEOSA-N	1	1	364.858	2.188	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1	ZINC000589309743	672521338	/nfs/dbraw/zinc/52/13/38/672521338.db2.gz	FQAVLTFGLLFRPS-SJORKVTESA-N	1	1	360.845	2.289	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCc3sccc3C2)CC1	ZINC000611371729	676034564	/nfs/dbraw/zinc/03/45/64/676034564.db2.gz	LOUWPFLLOXCBIT-QGZVFWFLSA-N	1	1	360.527	2.189	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCCc3sccc3C2)CC1	ZINC000611371729	676034566	/nfs/dbraw/zinc/03/45/66/676034566.db2.gz	LOUWPFLLOXCBIT-QGZVFWFLSA-N	1	1	360.527	2.189	20	30		FEEDMO
CC[C@@H]1CN(c2ncc(Br)cc2C#N)C[C@H]1[NH+]1CCOCC1	ZINC000590694771	672602991	/nfs/dbraw/zinc/60/29/91/672602991.db2.gz	SWYJTDCRGXRSNB-IUODEOHRSA-N	1	1	365.275	2.263	20	30		FEEDMO
C=CCc1cc(OC)cc(C[N@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1O	ZINC000192945137	672707545	/nfs/dbraw/zinc/70/75/45/672707545.db2.gz	UEHXMJVHLUVHFB-MRXNPFEDSA-N	1	1	351.468	2.281	20	30		FEEDMO
C=CCc1cc(OC)cc(C[N@@H+](C2CC2)[C@@H]2CCS(=O)(=O)C2)c1O	ZINC000192945137	672707547	/nfs/dbraw/zinc/70/75/47/672707547.db2.gz	UEHXMJVHLUVHFB-MRXNPFEDSA-N	1	1	351.468	2.281	20	30		FEEDMO
C[NH+](C)[C@@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)c1ccccc1Cl	ZINC000591896556	672718915	/nfs/dbraw/zinc/71/89/15/672718915.db2.gz	OQTYVSVJVILOKA-RDJZCZTQSA-N	1	1	350.850	2.003	20	30		FEEDMO
C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@](O)(CC#N)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000591996903	672731261	/nfs/dbraw/zinc/73/12/61/672731261.db2.gz	GOFBBRLLEXDZQV-BQFCYCMXSA-N	1	1	362.861	2.145	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N2CC[C@@](O)(CC#N)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000591996903	672731264	/nfs/dbraw/zinc/73/12/64/672731264.db2.gz	GOFBBRLLEXDZQV-BQFCYCMXSA-N	1	1	362.861	2.145	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](CCO)c2ccccc2F)c1	ZINC000592160586	672765624	/nfs/dbraw/zinc/76/56/24/672765624.db2.gz	MKQVHXGGOMNMOL-GOSISDBHSA-N	1	1	362.426	2.184	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1	ZINC000593159830	672884779	/nfs/dbraw/zinc/88/47/79/672884779.db2.gz	RUCFIWGOZVXGGP-DZGCQCFKSA-N	1	1	360.483	2.221	20	30		FEEDMO
C[C@@H](C#N)CSc1ccccc1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1	ZINC000593159830	672884782	/nfs/dbraw/zinc/88/47/82/672884782.db2.gz	RUCFIWGOZVXGGP-DZGCQCFKSA-N	1	1	360.483	2.221	20	30		FEEDMO
CC[NH+]=C(NCc1cn[nH]c1C)N[C@@H]1CCN(c2ncccc2Cl)C1	ZINC000261949346	672905898	/nfs/dbraw/zinc/90/58/98/672905898.db2.gz	GVFGLWTZNWJCQT-CQSZACIVSA-N	1	1	361.881	2.101	20	30		FEEDMO
CC[N@@H+](CCCNS(=O)(=O)c1cncc(C#N)c1)C1CCCCC1	ZINC000593626838	672962151	/nfs/dbraw/zinc/96/21/51/672962151.db2.gz	GRYZUKJGBLYQIF-UHFFFAOYSA-N	1	1	350.488	2.276	20	30		FEEDMO
C[N@@H+](CCNC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)C1CCCC1	ZINC000329435224	673077446	/nfs/dbraw/zinc/07/74/46/673077446.db2.gz	JNQXISAKNXVYAO-MRXNPFEDSA-N	1	1	350.507	2.109	20	30		FEEDMO
O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCC[NH+]1CCSCC1	ZINC000329452542	673077693	/nfs/dbraw/zinc/07/76/93/673077693.db2.gz	PDLDDJWJIYDHNY-OAHLLOKOSA-N	1	1	367.540	2.287	20	30		FEEDMO
O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C1(O)CCOCC1	ZINC000330275226	673087873	/nfs/dbraw/zinc/08/78/73/673087873.db2.gz	LFBCLABXMCYEAO-INIZCTEOSA-N	1	1	350.484	2.102	20	30		FEEDMO
O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C1(O)CCOCC1	ZINC000330275226	673087878	/nfs/dbraw/zinc/08/78/78/673087878.db2.gz	LFBCLABXMCYEAO-INIZCTEOSA-N	1	1	350.484	2.102	20	30		FEEDMO
CN1CC[NH+](CCCNC(=S)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000726446782	673122500	/nfs/dbraw/zinc/12/25/00/673122500.db2.gz	JHVRHPWMSZJFNN-UHFFFAOYSA-N	1	1	351.907	2.136	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)CC1(C#N)CCCCC1	ZINC000613076415	676110165	/nfs/dbraw/zinc/11/01/65/676110165.db2.gz	AXKVOOKPWDXUOD-MRXNPFEDSA-N	1	1	350.488	2.460	20	30		FEEDMO
C#CCNC(=O)CN1CC[NH+](CCCSc2ccccc2Cl)CC1	ZINC000728571545	673204436	/nfs/dbraw/zinc/20/44/36/673204436.db2.gz	ICKBDQGWZYUOSX-UHFFFAOYSA-N	1	1	365.930	2.189	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cc1	ZINC000595290083	673217017	/nfs/dbraw/zinc/21/70/17/673217017.db2.gz	HKYRRRLXOUSWLG-KURKYZTESA-N	1	1	359.495	2.301	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1F	ZINC000595411109	673245861	/nfs/dbraw/zinc/24/58/61/673245861.db2.gz	NWJDWFFWORCFCR-CQSZACIVSA-N	1	1	351.447	2.098	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCn1c(=O)oc2cc(Cl)ccc21	ZINC000729810391	673249314	/nfs/dbraw/zinc/24/93/14/673249314.db2.gz	WWURMTZWWANUJE-CQSZACIVSA-N	1	1	362.813	2.279	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@H](O)CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1	ZINC000595463982	673254275	/nfs/dbraw/zinc/25/42/75/673254275.db2.gz	FCWGSLYBXKOITO-RBUKOAKNSA-N	1	1	364.921	2.223	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cc(Cl)c(OCC)c(OC)c1	ZINC000730105080	673262575	/nfs/dbraw/zinc/26/25/75/673262575.db2.gz	BEIWRBPRGZOLTE-HNNXBMFYSA-N	1	1	350.846	2.461	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cc(Cl)c(OCC)c(OC)c1	ZINC000730105080	673262577	/nfs/dbraw/zinc/26/25/77/673262577.db2.gz	BEIWRBPRGZOLTE-HNNXBMFYSA-N	1	1	350.846	2.461	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](Cn2ccnn2)C1	ZINC000595608821	673273476	/nfs/dbraw/zinc/27/34/76/673273476.db2.gz	XAMKAGZACPDVQI-CHWSQXEVSA-N	1	1	358.833	2.152	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000595743179	673287752	/nfs/dbraw/zinc/28/77/52/673287752.db2.gz	QXLLUBYBDOWOMS-AXAPSJFSSA-N	1	1	360.845	2.139	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1	ZINC000595743179	673287755	/nfs/dbraw/zinc/28/77/55/673287755.db2.gz	QXLLUBYBDOWOMS-AXAPSJFSSA-N	1	1	360.845	2.139	20	30		FEEDMO
CCOCCC[N@H+]1CCC(=NNS(=O)(=O)c2ccc(C)cc2)[C@@H](C)C1	ZINC000735224025	673486600	/nfs/dbraw/zinc/48/66/00/673486600.db2.gz	KMSLLGGPNDPCFC-INIZCTEOSA-N	1	1	367.515	2.398	20	30		FEEDMO
CCN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CC[N@@H+](C)C1	ZINC000597947212	673522751	/nfs/dbraw/zinc/52/27/51/673522751.db2.gz	VSCRRRSEXKYLRR-LBPRGKRZSA-N	1	1	366.259	2.252	20	30		FEEDMO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C#N)c1ccccc1Br	ZINC000598388922	673564814	/nfs/dbraw/zinc/56/48/14/673564814.db2.gz	VIWLOWJNOFFTQL-DOMZBBRYSA-N	1	1	366.259	2.098	20	30		FEEDMO
C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C#N)c1ccccc1Br	ZINC000598388923	673564849	/nfs/dbraw/zinc/56/48/49/673564849.db2.gz	VIWLOWJNOFFTQL-IUODEOHRSA-N	1	1	366.259	2.098	20	30		FEEDMO
C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2sccc2C#N)C1	ZINC000598505932	673576657	/nfs/dbraw/zinc/57/66/57/673576657.db2.gz	MHECJNYPNJIPRA-QGZVFWFLSA-N	1	1	354.479	2.166	20	30		FEEDMO
C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2sccc2C#N)C1	ZINC000598505932	673576662	/nfs/dbraw/zinc/57/66/62/673576662.db2.gz	MHECJNYPNJIPRA-QGZVFWFLSA-N	1	1	354.479	2.166	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@H](C)Oc2cccc(Br)c2)CC1	ZINC000742058863	673705377	/nfs/dbraw/zinc/70/53/77/673705377.db2.gz	AXJNTWCUVFMWLJ-AWEZNQCLSA-N	1	1	365.271	2.384	20	30		FEEDMO
C=CCn1nnn(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1=S	ZINC000743402640	673758930	/nfs/dbraw/zinc/75/89/30/673758930.db2.gz	NIVGKNRQZMIBHN-KRWDZBQOSA-N	1	1	358.515	2.406	20	30		FEEDMO
COc1ccc(C#N)cc1C[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1	ZINC000602883271	673912853	/nfs/dbraw/zinc/91/28/53/673912853.db2.gz	QHWAUPPWQCXRMY-GOSISDBHSA-N	1	1	361.511	2.207	20	30		FEEDMO
CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C1	ZINC000603151524	673918294	/nfs/dbraw/zinc/91/82/94/673918294.db2.gz	ANFISKNOODMFRX-MSOLQXFVSA-N	1	1	358.511	2.033	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(C#N)cc1CS(N)(=O)=O	ZINC000603283650	673921910	/nfs/dbraw/zinc/92/19/10/673921910.db2.gz	LKMLNYORNLXOPG-OAHLLOKOSA-N	1	1	364.515	2.413	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C1(NC(=O)OC(C)(C)C)CCCCC1	ZINC000818599324	675227425	/nfs/dbraw/zinc/22/74/25/675227425.db2.gz	JJDMFHGJTQCQCK-UHFFFAOYSA-N	1	1	351.491	2.285	20	30		FEEDMO
C#CCN(CC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)C(=O)OC(C)(C)C	ZINC000822059225	675467585	/nfs/dbraw/zinc/46/75/85/675467585.db2.gz	PSXWZDSSISZFHZ-CVEARBPZSA-N	1	1	351.491	2.093	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](CC)C[C@@H]2C)c1	ZINC000822569628	675492345	/nfs/dbraw/zinc/49/23/45/675492345.db2.gz	VBOQZDWBYPVYRL-INIZCTEOSA-N	1	1	362.495	2.040	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)c1	ZINC000822569628	675492346	/nfs/dbraw/zinc/49/23/46/675492346.db2.gz	VBOQZDWBYPVYRL-INIZCTEOSA-N	1	1	362.495	2.040	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)c1sc2c(c1Br)C[NH2+]C2	ZINC000659326249	678166495	/nfs/dbraw/zinc/16/64/95/678166495.db2.gz	XEWWUEAXYYJIHD-WPRPVWTQSA-N	1	1	357.273	2.435	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3nc4c(s3)CCC4)C2=O)cc1	ZINC000616996456	676265637	/nfs/dbraw/zinc/26/56/37/676265637.db2.gz	FVRDWJHNZBIPED-INIZCTEOSA-N	1	1	352.463	2.394	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@@H+](CCO)[C@@H]3CCCSC3)C2=O)cc1	ZINC000619569057	676385439	/nfs/dbraw/zinc/38/54/39/676385439.db2.gz	FVELGEGARWUOAQ-QZTJIDSGSA-N	1	1	359.495	2.244	20	30		FEEDMO
Cc1cnc(CC[N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)s1	ZINC000625264256	676634618	/nfs/dbraw/zinc/63/46/18/676634618.db2.gz	ADKRTHRLXDXNLS-UHFFFAOYSA-N	1	1	353.447	2.225	20	30		FEEDMO
Cc1cnc(CC[N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)s1	ZINC000625264256	676634619	/nfs/dbraw/zinc/63/46/19/676634619.db2.gz	ADKRTHRLXDXNLS-UHFFFAOYSA-N	1	1	353.447	2.225	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+](Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1	ZINC000649745839	677336663	/nfs/dbraw/zinc/33/66/63/677336663.db2.gz	AUTSCMNRCZCZOT-KRWDZBQOSA-N	1	1	352.500	2.242	20	30		FEEDMO
COc1ccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c(Br)c1O	ZINC000761013208	680707545	/nfs/dbraw/zinc/70/75/45/680707545.db2.gz	QFZUROUQUHNRMB-QWRGUYRKSA-N	1	1	367.247	2.357	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCCO1	ZINC000763777438	680792027	/nfs/dbraw/zinc/79/20/27/680792027.db2.gz	DIHUQFXOFYIHHS-XHSDSOJGSA-N	1	1	363.255	2.325	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)C1=O	ZINC000840029914	680794100	/nfs/dbraw/zinc/79/41/00/680794100.db2.gz	HLRQQCHWWKWFPC-HUUCEWRRSA-N	1	1	352.479	2.103	20	30		FEEDMO
CC(C)(C#N)CC[NH+]1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1	ZINC000831556307	680002954	/nfs/dbraw/zinc/00/29/54/680002954.db2.gz	JUMBHTMGFUGAEK-KGLIPLIRSA-N	1	1	361.408	2.474	20	30		FEEDMO
COC(=O)C1(C#N)CC[NH+](C[C@H](O)COc2cc(C)ccc2Cl)CC1	ZINC000831699794	680028001	/nfs/dbraw/zinc/02/80/01/680028001.db2.gz	WBRVFRFAENVLFI-AWEZNQCLSA-N	1	1	366.845	2.167	20	30		FEEDMO
C=C(Br)CN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12	ZINC000990759563	680072525	/nfs/dbraw/zinc/07/25/25/680072525.db2.gz	CZPZSRWGSGIYKN-PNBKFKSVSA-N	1	1	370.335	2.348	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1	ZINC001021711951	680172044	/nfs/dbraw/zinc/17/20/44/680172044.db2.gz	HHQHQOSEBFTLFZ-LSDHHAIUSA-N	1	1	364.877	2.030	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccc(S(N)(=O)=O)cc1	ZINC000751518167	680184863	/nfs/dbraw/zinc/18/48/63/680184863.db2.gz	ZSQKUELMDSXIMG-CQSZACIVSA-N	1	1	358.467	2.254	20	30		FEEDMO
C[C@H]1CCC(=NNC(=S)NCCC[NH+]2CCOCC2)c2ccccc21	ZINC000752721413	680256024	/nfs/dbraw/zinc/25/60/24/680256024.db2.gz	FLGPOEXRCZDHFQ-HNNXBMFYSA-N	1	1	360.527	2.474	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC2(C1)CCC[N@H+](C[C@H](C)OC)C2	ZINC000982060851	680265510	/nfs/dbraw/zinc/26/55/10/680265510.db2.gz	GGGZKQGQOWGYRE-BZSNNMDCSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@@H]2CC(C)(C)CO2)CC1	ZINC000982179562	680272924	/nfs/dbraw/zinc/27/29/24/680272924.db2.gz	WVYAEZLNWMMVDA-BZSNNMDCSA-N	1	1	350.503	2.317	20	30		FEEDMO
CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(F)c(I)c1	ZINC000834971712	680285312	/nfs/dbraw/zinc/28/53/12/680285312.db2.gz	YMDTWBGUNOAPHD-ZETCQYMHSA-N	1	1	360.174	2.092	20	30		FEEDMO
Cc1[nH+]ccn1CCOC(=O)COc1cccc(Br)c1C#N	ZINC000835328117	680319484	/nfs/dbraw/zinc/31/94/84/680319484.db2.gz	JIUJMFKQYCCQJG-UHFFFAOYSA-N	1	1	364.199	2.448	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nnc(C)s2)C(C)(C)C1	ZINC000996409467	680331958	/nfs/dbraw/zinc/33/19/58/680331958.db2.gz	WAXQGEFGHSXELM-DZKIICNBSA-N	1	1	364.515	2.154	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccnn2C)CC1	ZINC000997691329	680363227	/nfs/dbraw/zinc/36/32/27/680363227.db2.gz	JUQNGIDXNXCVAT-NUEKZKHPSA-N	1	1	350.894	2.493	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](Cc2snnc2C)CC1	ZINC000997761495	680365231	/nfs/dbraw/zinc/36/52/31/680365231.db2.gz	XGMUFWFZXTVIGQ-MAZHCROVSA-N	1	1	364.515	2.154	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)s1	ZINC001028039622	680368186	/nfs/dbraw/zinc/36/81/86/680368186.db2.gz	NXXNLVHWRUYEAB-XTENKEOPSA-N	1	1	357.479	2.124	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)s1	ZINC001028039622	680368191	/nfs/dbraw/zinc/36/81/91/680368191.db2.gz	NXXNLVHWRUYEAB-XTENKEOPSA-N	1	1	357.479	2.124	20	30		FEEDMO
C=C(C)CCNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1	ZINC000835704309	680370756	/nfs/dbraw/zinc/37/07/56/680370756.db2.gz	WFDUXMGNWWWZEX-UHFFFAOYSA-N	1	1	364.877	2.113	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCCNc1cccc(S(N)(=O)=O)c1C#N	ZINC000754978949	680391510	/nfs/dbraw/zinc/39/15/10/680391510.db2.gz	IMRHMWBEZPHBQN-AWEZNQCLSA-N	1	1	350.488	2.272	20	30		FEEDMO
C=C(Br)CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC001033095603	680417475	/nfs/dbraw/zinc/41/74/75/680417475.db2.gz	CDAPAGOJNKXHMU-SOUVJXGZSA-N	1	1	358.324	2.158	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCO)C2	ZINC001040442569	680472332	/nfs/dbraw/zinc/47/23/32/680472332.db2.gz	DCVCVLNQFLUXFB-BJLQDIEVSA-N	1	1	350.503	2.055	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C	ZINC000836488144	680475773	/nfs/dbraw/zinc/47/57/73/680475773.db2.gz	HGJAFIJRINVNQT-QGZVFWFLSA-N	1	1	350.894	2.197	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C	ZINC000836488144	680475775	/nfs/dbraw/zinc/47/57/75/680475775.db2.gz	HGJAFIJRINVNQT-QGZVFWFLSA-N	1	1	350.894	2.197	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCN(Cc2ccccc2Cl)CC1	ZINC000836489280	680476094	/nfs/dbraw/zinc/47/60/94/680476094.db2.gz	WTNPMFWYQUMXGI-UHFFFAOYSA-N	1	1	362.905	2.122	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1	ZINC000985826136	680482693	/nfs/dbraw/zinc/48/26/93/680482693.db2.gz	FWKAUYNMGFLEPP-OWCLPIDISA-N	1	1	367.921	2.166	20	30		FEEDMO
C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CC[C@H](C(F)(F)F)O3)C2)C1	ZINC001041376753	680506388	/nfs/dbraw/zinc/50/63/88/680506388.db2.gz	VEQLYDLOLVEYFS-ZMSDIMECSA-N	1	1	358.404	2.434	20	30		FEEDMO
C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)s3)C2)C1	ZINC001041689579	680508453	/nfs/dbraw/zinc/50/84/53/680508453.db2.gz	FKPYIOWEEZYCSX-DKSSEZFCSA-N	1	1	359.495	2.469	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C	ZINC000758485228	680584882	/nfs/dbraw/zinc/58/48/82/680584882.db2.gz	WSOGTQSYTMXZCE-HZPDHXFCSA-N	1	1	355.479	2.053	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C	ZINC000758485228	680584885	/nfs/dbraw/zinc/58/48/85/680584885.db2.gz	WSOGTQSYTMXZCE-HZPDHXFCSA-N	1	1	355.479	2.053	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1C[NH+](CCC[C@@H]2CCOC2)C1	ZINC001044029556	680606320	/nfs/dbraw/zinc/60/63/20/680606320.db2.gz	PJDHNCFGOWQBJT-NEWSRXKRSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnc(CC)s1	ZINC001045237591	680625789	/nfs/dbraw/zinc/62/57/89/680625789.db2.gz	IQHYZLBCRQZAJS-ZQIUZPCESA-N	1	1	364.515	2.162	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001046633217	680652192	/nfs/dbraw/zinc/65/21/92/680652192.db2.gz	RCNPYBLQFUMJOY-WISYIIOYSA-N	1	1	367.906	2.315	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCc1ccns1	ZINC001049732657	681038158	/nfs/dbraw/zinc/03/81/58/681038158.db2.gz	PJSIOHCRDCGQQS-TVFCKZIOSA-N	1	1	361.511	2.342	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1csc(C)n1)CC2	ZINC001050671834	681053409	/nfs/dbraw/zinc/05/34/09/681053409.db2.gz	JQSDOQAQHQBXPH-SJORKVTESA-N	1	1	361.511	2.467	20	30		FEEDMO
C#CCCCCC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000773254138	681133197	/nfs/dbraw/zinc/13/31/97/681133197.db2.gz	JGRLOSYWFNAKMO-UHFFFAOYSA-N	1	1	351.491	2.239	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1	ZINC000932192595	681192495	/nfs/dbraw/zinc/19/24/95/681192495.db2.gz	MXFJYBSFNLYOMM-STQMWFEESA-N	1	1	362.499	2.212	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1	ZINC000932192595	681192496	/nfs/dbraw/zinc/19/24/96/681192496.db2.gz	MXFJYBSFNLYOMM-STQMWFEESA-N	1	1	362.499	2.212	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)OC)C[C@H]2CC1	ZINC000946595343	681244357	/nfs/dbraw/zinc/24/43/57/681244357.db2.gz	UIIYEMOOTYFNRB-QTMHVTGLSA-N	1	1	350.503	2.173	20	30		FEEDMO
COC(=O)c1cnc([C@H]2CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)s1	ZINC000932670203	681282471	/nfs/dbraw/zinc/28/24/71/681282471.db2.gz	VYCZUTSDZLABCB-LSDHHAIUSA-N	1	1	357.435	2.324	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1ccc(C)cc1Br)[C@@H]1CCCO1	ZINC000775792759	681335617	/nfs/dbraw/zinc/33/56/17/681335617.db2.gz	ADVQXHZNJKOIEL-HIFRSBDPSA-N	1	1	351.244	2.466	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CCCO1	ZINC000775793617	681335690	/nfs/dbraw/zinc/33/56/90/681335690.db2.gz	VZBAHVBDIBXSGN-HIFRSBDPSA-N	1	1	364.829	2.210	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1sc(CC)cc1C(=O)OCC)[C@@H]1CCCO1	ZINC000775796863	681336112	/nfs/dbraw/zinc/33/61/12/681336112.db2.gz	AQGVAAUTUXLXEW-GJZGRUSLSA-N	1	1	364.467	2.196	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCCO1	ZINC000775796252	681336119	/nfs/dbraw/zinc/33/61/19/681336119.db2.gz	UJUFHWONDBBGIX-STQMWFEESA-N	1	1	373.197	2.436	20	30		FEEDMO
CCO[C@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000932972820	681338836	/nfs/dbraw/zinc/33/88/36/681338836.db2.gz	TYLSOEROPAPLIP-INIZCTEOSA-N	1	1	354.372	2.284	20	30		FEEDMO
CCO[C@H]1CC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000932972820	681338839	/nfs/dbraw/zinc/33/88/39/681338839.db2.gz	TYLSOEROPAPLIP-INIZCTEOSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[N@H+]1CC[C@H](CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1	ZINC000847372340	681369766	/nfs/dbraw/zinc/36/97/66/681369766.db2.gz	IXKWWUVSWZHGEZ-CABCVRRESA-N	1	1	352.479	2.032	20	30		FEEDMO
C=C(C)[C@@H](CO)[N@H+]1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000933860868	681475414	/nfs/dbraw/zinc/47/54/14/681475414.db2.gz	MXLAWLOSWKPSKM-HZPDHXFCSA-N	1	1	354.491	2.414	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2C2OCCO2)sc2c1CCC2	ZINC000933901597	681480825	/nfs/dbraw/zinc/48/08/25/681480825.db2.gz	FXXFKPCBFKBIBO-CQSZACIVSA-N	1	1	361.467	2.274	20	30		FEEDMO
CO[C@H]1CC[C@H]1[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000934117083	681511182	/nfs/dbraw/zinc/51/11/82/681511182.db2.gz	JXKMVNNNGSCCDC-CVEARBPZSA-N	1	1	354.372	2.282	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(OC(F)F)c1	ZINC000934262493	681537395	/nfs/dbraw/zinc/53/73/95/681537395.db2.gz	KFJJEIDXSVKAEN-JKSUJKDBSA-N	1	1	351.397	2.191	20	30		FEEDMO
C#CCOc1cccc(Cl)c1CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000778167211	681582041	/nfs/dbraw/zinc/58/20/41/681582041.db2.gz	BDXPDTFTFRXZRS-HNNXBMFYSA-N	1	1	363.889	2.029	20	30		FEEDMO
CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2cc(C#N)ccc2F)CC1	ZINC000934760077	681625472	/nfs/dbraw/zinc/62/54/72/681625472.db2.gz	XERLXYGCMYRRLD-DEOSSOPVSA-N	1	1	352.479	2.484	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1	ZINC000949361892	681634518	/nfs/dbraw/zinc/63/45/18/681634518.db2.gz	KALBLSGINQTRJL-VHDGCEQUSA-N	1	1	355.910	2.070	20	30		FEEDMO
C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCO[C@H]3CC)CC2)C1	ZINC000949423973	681639710	/nfs/dbraw/zinc/63/97/10/681639710.db2.gz	ZJZPUJMIMKTASR-MSOLQXFVSA-N	1	1	350.503	2.461	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@@H]2CC(C)(C)CO2)C1	ZINC000950353040	681684135	/nfs/dbraw/zinc/68/41/35/681684135.db2.gz	CHIAZMIRHHMZHS-KSZLIROESA-N	1	1	350.503	2.315	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1	ZINC000779165132	681685977	/nfs/dbraw/zinc/68/59/77/681685977.db2.gz	YACBKEIWBNWCIP-UHFFFAOYSA-N	1	1	370.902	2.208	20	30		FEEDMO
C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)C1	ZINC000913782041	685485097	/nfs/dbraw/zinc/48/50/97/685485097.db2.gz	IRNTUYGWPKBPEN-HZPDHXFCSA-N	1	1	355.360	2.125	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)CC3(F)CCC3)CC2)cc1	ZINC000913873976	685487299	/nfs/dbraw/zinc/48/72/99/685487299.db2.gz	ZDDOJDAHTKDUJO-UHFFFAOYSA-N	1	1	365.474	2.288	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)CC3(F)CCC3)CC2)cc1	ZINC000913873976	685487300	/nfs/dbraw/zinc/48/73/00/685487300.db2.gz	ZDDOJDAHTKDUJO-UHFFFAOYSA-N	1	1	365.474	2.288	20	30		FEEDMO
CC(=NNc1ccccc1)c1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1	ZINC000916245892	685522913	/nfs/dbraw/zinc/52/29/13/685522913.db2.gz	JBVSJNYTHWERAC-UHFFFAOYSA-N	1	1	358.467	2.117	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3sc(C)nc3C)C[C@H]21	ZINC000962017811	682106857	/nfs/dbraw/zinc/10/68/57/682106857.db2.gz	NQYWXGXDTRKLIU-DTJSUFBGSA-N	1	1	361.511	2.288	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2	ZINC000915892159	685519238	/nfs/dbraw/zinc/51/92/38/685519238.db2.gz	CJDUOJSEWYTQRM-LJQANCHMSA-N	1	1	361.511	2.423	20	30		FEEDMO
Cc1ccc(-n2c(Cl)c(C=NN3CC[NH+](C)CC3)nc2N(C)C)cc1	ZINC000915933527	685519753	/nfs/dbraw/zinc/51/97/53/685519753.db2.gz	ATCFUVZFSWVQJM-UHFFFAOYSA-N	1	1	360.893	2.481	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC2(C1)CC([NH2+]Cc1csnn1)C2	ZINC000965425609	682190265	/nfs/dbraw/zinc/19/02/65/682190265.db2.gz	YJUJXTFCMPKQDW-YRJJUTJMSA-N	1	1	362.499	2.036	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1	ZINC000971965941	682383242	/nfs/dbraw/zinc/38/32/42/682383242.db2.gz	IMHWKVPEPIHYQS-IHETXDGRSA-N	1	1	359.495	2.468	20	30		FEEDMO
C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)C1	ZINC000972595138	682425384	/nfs/dbraw/zinc/42/53/84/682425384.db2.gz	VNUGVMILHQBCBI-HLIPFELVSA-N	1	1	358.507	2.487	20	30		FEEDMO
C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3ccc(C)s3)C2)C1	ZINC000972595138	682425387	/nfs/dbraw/zinc/42/53/87/682425387.db2.gz	VNUGVMILHQBCBI-HLIPFELVSA-N	1	1	358.507	2.487	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F	ZINC000787220964	682442724	/nfs/dbraw/zinc/44/27/24/682442724.db2.gz	FPTHCMNPKIJAGN-SNVBAGLBSA-N	1	1	350.325	2.052	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(COc3ccc(Cl)nc3)CC2)CCC1	ZINC000789314663	682592617	/nfs/dbraw/zinc/59/26/17/682592617.db2.gz	DIDYXUMZGQPVPV-UHFFFAOYSA-N	1	1	362.861	2.388	20	30		FEEDMO
C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)CC(C)(C)C#N)CC1	ZINC000790038869	682650602	/nfs/dbraw/zinc/65/06/02/682650602.db2.gz	NBZBBOROEZBKRB-CQSZACIVSA-N	1	1	350.488	2.076	20	30		FEEDMO
C=CCc1cc(OC)cc(C[NH+]2CCC(CS(C)(=O)=O)CC2)c1O	ZINC000793724264	682906061	/nfs/dbraw/zinc/90/60/61/682906061.db2.gz	BSIONXCSELIZPO-UHFFFAOYSA-N	1	1	353.484	2.386	20	30		FEEDMO
Cn1c(CC#N)nn(CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1=S	ZINC000794637011	682985683	/nfs/dbraw/zinc/98/56/83/682985683.db2.gz	NOEQVBQJRAICLZ-MRXNPFEDSA-N	1	1	356.499	2.181	20	30		FEEDMO
C#CC[C@H](COC)Nc1nc(N[C@H](CC#C)COC)c2c([nH+]1)CCS2	ZINC000858861268	683008386	/nfs/dbraw/zinc/00/83/86/683008386.db2.gz	VZQFGNWKBYIYML-ZIAGYGMSSA-N	1	1	360.483	2.025	20	30		FEEDMO
CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)C2	ZINC000926159106	683085047	/nfs/dbraw/zinc/08/50/47/683085047.db2.gz	HURNQFMGODJKAJ-YWTNHNAXSA-N	1	1	361.873	2.421	20	30		FEEDMO
CCCCCCCS(=O)(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000799774298	683493791	/nfs/dbraw/zinc/49/37/91/683493791.db2.gz	SVPIVVYBHLZQGK-LJQANCHMSA-N	1	1	368.543	2.295	20	30		FEEDMO
CCCCCCCS(=O)(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000799774298	683493798	/nfs/dbraw/zinc/49/37/98/683493798.db2.gz	SVPIVVYBHLZQGK-LJQANCHMSA-N	1	1	368.543	2.295	20	30		FEEDMO
N#Cc1ccc(Br)c(C[NH2+]CC(=O)NCC(F)(F)F)c1	ZINC000921552000	683499217	/nfs/dbraw/zinc/49/92/17/683499217.db2.gz	VFBLMAYQBQXUMV-UHFFFAOYSA-N	1	1	350.138	2.089	20	30		FEEDMO
C=CCCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)cc1	ZINC000921912676	683610993	/nfs/dbraw/zinc/61/09/93/683610993.db2.gz	UVOCVDYLJOUFHH-SFHVURJKSA-N	1	1	364.511	2.337	20	30		FEEDMO
Cc1cc(Br)c(C=NNC2=[NH+]CCN2)cc1Br	ZINC000863121219	683678146	/nfs/dbraw/zinc/67/81/46/683678146.db2.gz	ZTJIZUWHVFVMNK-UHFFFAOYSA-N	1	1	360.053	2.403	20	30		FEEDMO
N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1	ZINC000930278266	683703554	/nfs/dbraw/zinc/70/35/54/683703554.db2.gz	JMVZKUWRPKYNFS-ZWKOTPCHSA-N	1	1	361.873	2.470	20	30		FEEDMO
C[C@](O)(C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(F)(F)C(F)(F)F	ZINC000930541959	683749194	/nfs/dbraw/zinc/74/91/94/683749194.db2.gz	QRPYNILNTGDVTH-YPMHNXCESA-N	1	1	365.302	2.355	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(OC)nc2C(F)(F)F)C1	ZINC000930897610	683798613	/nfs/dbraw/zinc/79/86/13/683798613.db2.gz	UMBFZYSYCWXLRS-LLVKDONJSA-N	1	1	356.348	2.328	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OC)nc2C(F)(F)F)C1	ZINC000930897610	683798619	/nfs/dbraw/zinc/79/86/19/683798619.db2.gz	UMBFZYSYCWXLRS-LLVKDONJSA-N	1	1	356.348	2.328	20	30		FEEDMO
C=CCCSCCNC(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000923228735	684245760	/nfs/dbraw/zinc/24/57/60/684245760.db2.gz	WZIRAEVHDLBSBZ-YFHUEUNASA-N	1	1	355.548	2.075	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1	ZINC000923557750	684305788	/nfs/dbraw/zinc/30/57/88/684305788.db2.gz	QHPVFYVFGPEUJW-LBPRGKRZSA-N	1	1	355.316	2.441	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1	ZINC000923557750	684305792	/nfs/dbraw/zinc/30/57/92/684305792.db2.gz	QHPVFYVFGPEUJW-LBPRGKRZSA-N	1	1	355.316	2.441	20	30		FEEDMO
C#CC[N@H+](CCO[C@H]1CCOC1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000931740445	684340895	/nfs/dbraw/zinc/34/08/95/684340895.db2.gz	DDSVAKPQSNSZHT-KRWDZBQOSA-N	1	1	352.475	2.127	20	30		FEEDMO
N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1nnc([C@@H]2CCCO2)s1	ZINC000868050436	684444298	/nfs/dbraw/zinc/44/42/98/684444298.db2.gz	MXPXEFAGNPNKRL-UONOGXRCSA-N	1	1	355.423	2.087	20	30		FEEDMO
C=C(C)C[NH+]1CCC(N[C@@H]2COCCN(C(=O)OC(C)(C)C)C2)CC1	ZINC000924989934	684513902	/nfs/dbraw/zinc/51/39/02/684513902.db2.gz	VYHSBJIOXYVRLY-KRWDZBQOSA-N	1	1	353.507	2.252	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(S(=O)(=O)c3ccc(C)cc3C#N)CC2)c1	ZINC000872464254	684956437	/nfs/dbraw/zinc/95/64/37/684956437.db2.gz	SJDIPUCUTXLRTA-UHFFFAOYSA-N	1	1	356.451	2.081	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1	ZINC000880045426	686983729	/nfs/dbraw/zinc/98/37/29/686983729.db2.gz	XEXPMVJCRVXCOR-GOEBONIOSA-N	1	1	358.360	2.146	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1	ZINC000880045426	686983736	/nfs/dbraw/zinc/98/37/36/686983736.db2.gz	XEXPMVJCRVXCOR-GOEBONIOSA-N	1	1	358.360	2.146	20	30		FEEDMO
C=C(C)CS(=O)(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2	ZINC000882790211	687490856	/nfs/dbraw/zinc/49/08/56/687490856.db2.gz	RNZGJJGYFPHEQX-PKOBYXMFSA-N	1	1	364.511	2.258	20	30		FEEDMO
C=C(C)CS(=O)(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2	ZINC000882790211	687490862	/nfs/dbraw/zinc/49/08/62/687490862.db2.gz	RNZGJJGYFPHEQX-PKOBYXMFSA-N	1	1	364.511	2.258	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)NCc1ccc(SC)c(C#N)c1	ZINC000884198430	687815683	/nfs/dbraw/zinc/81/56/83/687815683.db2.gz	WMCYQDWHDAQICR-UHFFFAOYSA-N	1	1	350.488	2.048	20	30		FEEDMO
C=CCOCC[N@H+]1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1	ZINC000886883448	688331828	/nfs/dbraw/zinc/33/18/28/688331828.db2.gz	CKXQEYUMNNUVQC-XAUUPUKJSA-N	1	1	353.459	2.032	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(c3ccc(Br)nn3)CC2)cc1	ZINC000891505701	689071056	/nfs/dbraw/zinc/07/10/56/689071056.db2.gz	PUOIQWLBBMJWDO-UHFFFAOYSA-N	1	1	358.243	2.433	20	30		FEEDMO
C[C@@]1(C#N)CN(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCO1	ZINC000892512368	689206631	/nfs/dbraw/zinc/20/66/31/689206631.db2.gz	RFUVKWQVDPWTNM-CRAIPNDOSA-N	1	1	362.499	2.284	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)CSCC#N)C2)O1	ZINC000893917861	689429025	/nfs/dbraw/zinc/42/90/25/689429025.db2.gz	DKXLTOIKINRMAC-LPHOPBHVSA-N	1	1	359.495	2.135	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(C(=O)CSCC#N)C2)O1	ZINC000893917861	689429029	/nfs/dbraw/zinc/42/90/29/689429029.db2.gz	DKXLTOIKINRMAC-LPHOPBHVSA-N	1	1	359.495	2.135	20	30		FEEDMO
C#C[C@H](NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)c1ccc(Cl)cc1	ZINC000895684895	689754518	/nfs/dbraw/zinc/75/45/18/689754518.db2.gz	GTAAGTPSEGCHAX-OKZBNKHCSA-N	1	1	361.873	2.255	20	30		FEEDMO
CCc1[nH+]c2ccccc2c(N2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1C	ZINC000896403060	689869894	/nfs/dbraw/zinc/86/98/94/689869894.db2.gz	ANLVLQSMROMOKS-KUHUBIRLSA-N	1	1	355.463	2.480	20	30		FEEDMO
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cc(C#N)cnc1Cl	ZINC000897651497	690057194	/nfs/dbraw/zinc/05/71/94/690057194.db2.gz	DEDYPKLIZSOLKY-ZIAGYGMSSA-N	1	1	366.849	2.331	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)nc1	ZINC000906808438	691319691	/nfs/dbraw/zinc/31/96/91/691319691.db2.gz	WGVPGDMNCWSJSC-CQSZACIVSA-N	1	1	362.480	2.130	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CN(c3cnc(Cl)nc3Oc3ccc(C#N)cc3)C[C@H]21	ZINC001164668963	719482608	/nfs/dbraw/zinc/48/26/08/719482608.db2.gz	RUBVNNYFOPXPDX-HZPDHXFCSA-N	1	1	371.828	2.313	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc3c(C#N)c[nH]c3n1)C2	ZINC001164817386	720149317	/nfs/dbraw/zinc/14/93/17/720149317.db2.gz	PEENNPUCOXIHLD-OXJNMPFZSA-N	1	1	366.469	2.014	20	30		FEEDMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(C)c(C#N)cc3Cl)CC[C@@H]2C1	ZINC001164852919	720889479	/nfs/dbraw/zinc/88/94/79/720889479.db2.gz	AJPXSSOZMAHSMO-PBHICJAKSA-N	1	1	364.877	2.089	20	30		FEEDMO
N#Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164897121	721520711	/nfs/dbraw/zinc/52/07/11/721520711.db2.gz	DSHHFENLLMTUJW-HIFRSBDPSA-N	1	1	373.819	2.483	20	30		FEEDMO
Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)n1	ZINC001164903829	721549324	/nfs/dbraw/zinc/54/93/24/721549324.db2.gz	DCBPLXZOWGHIQH-WBVHZDCISA-N	1	1	353.401	2.138	20	30		FEEDMO
CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)c(Cl)cc1C#N	ZINC001164928664	721863840	/nfs/dbraw/zinc/86/38/40/721863840.db2.gz	ZTSNAGLAAKFIDZ-ZIAGYGMSSA-N	1	1	354.285	2.475	20	30		FEEDMO
CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc(Cl)c(Cl)cc1C#N	ZINC001164928664	721863841	/nfs/dbraw/zinc/86/38/41/721863841.db2.gz	ZTSNAGLAAKFIDZ-ZIAGYGMSSA-N	1	1	354.285	2.475	20	30		FEEDMO
N#Cc1cnc2cnc(Cl)cc2c1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2	ZINC001164965290	722068397	/nfs/dbraw/zinc/06/83/97/722068397.db2.gz	HNTONUMCKBCWIT-GASCZTMLSA-N	1	1	369.856	2.454	20	30		FEEDMO
C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1	ZINC000549677304	674057387	/nfs/dbraw/zinc/05/73/87/674057387.db2.gz	VEHXVIPVWJKSCQ-MRXNPFEDSA-N	1	1	359.499	2.027	20	30		FEEDMO
C=C(C)Cn1c(Cc2ccsc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1	ZINC000549677304	674057392	/nfs/dbraw/zinc/05/73/92/674057392.db2.gz	VEHXVIPVWJKSCQ-MRXNPFEDSA-N	1	1	359.499	2.027	20	30		FEEDMO
N#Cc1ccc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cc1	ZINC000023258967	539710688	/nfs/dbraw/zinc/71/06/88/539710688.db2.gz	ABZZFSMIGLRGJW-HXUWFJFHSA-N	1	1	351.450	2.116	20	30		FEEDMO
CC(C)N(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000030977375	539895243	/nfs/dbraw/zinc/89/52/43/539895243.db2.gz	CDXNFKXNNCYOQK-KXBFYZLASA-N	1	1	350.507	2.008	20	30		FEEDMO
C[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000031821041	539921164	/nfs/dbraw/zinc/92/11/64/539921164.db2.gz	RBYSFFHLVHERJL-SSDOTTSWSA-N	1	1	360.468	2.182	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000046382095	540254427	/nfs/dbraw/zinc/25/44/27/540254427.db2.gz	UADBZADUXNWYGV-GOSISDBHSA-N	1	1	369.513	2.117	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+](C)Cc2cccc(C#N)c2)C1	ZINC000046518669	540260812	/nfs/dbraw/zinc/26/08/12/540260812.db2.gz	WQUGZASJTRYFIM-MAUKXSAKSA-N	1	1	357.454	2.180	20	30		FEEDMO
CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)C1	ZINC000046518669	540260816	/nfs/dbraw/zinc/26/08/16/540260816.db2.gz	WQUGZASJTRYFIM-MAUKXSAKSA-N	1	1	357.454	2.180	20	30		FEEDMO
Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)n1	ZINC000047261000	540299840	/nfs/dbraw/zinc/29/98/40/540299840.db2.gz	RPKULIOJRSUVOI-JXFKEZNVSA-N	1	1	371.485	2.095	20	30		FEEDMO
Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)n1	ZINC000047261000	540299842	/nfs/dbraw/zinc/29/98/42/540299842.db2.gz	RPKULIOJRSUVOI-JXFKEZNVSA-N	1	1	371.485	2.095	20	30		FEEDMO
CC(C)(C)NC(=O)CN1CCC[N@@H+](CCCOc2ccc(C#N)cc2)CC1	ZINC000051499989	540436444	/nfs/dbraw/zinc/43/64/44/540436444.db2.gz	JPBFHPVFCVYFEN-UHFFFAOYSA-N	1	1	372.513	2.250	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1	ZINC000052931123	540500896	/nfs/dbraw/zinc/50/08/96/540500896.db2.gz	OYLJTRNDDRAYIF-QGZVFWFLSA-N	1	1	354.454	2.125	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCOc1ccc(Cl)cc1	ZINC000053681550	540549032	/nfs/dbraw/zinc/54/90/32/540549032.db2.gz	KPJFATJPNYOLBD-CYBMUJFWSA-N	1	1	353.850	2.441	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C[N@H+]3CCC[C@H](C)C3)cc2C1=O	ZINC000055402747	540651214	/nfs/dbraw/zinc/65/12/14/540651214.db2.gz	DEIKHNQZDSXXNY-LSDHHAIUSA-N	1	1	369.465	2.319	20	30		FEEDMO
CC[N@@H+](C)[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1	ZINC000057835182	540818282	/nfs/dbraw/zinc/81/82/82/540818282.db2.gz	BRIVWHPVICIWRM-HXUWFJFHSA-N	1	1	363.465	2.295	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCC(C#N)CC1)[NH+]1CCN(c2ccccc2)CC1	ZINC000060989386	541124249	/nfs/dbraw/zinc/12/42/49/541124249.db2.gz	ILWDYMGSFOJZAT-KRWDZBQOSA-N	1	1	355.486	2.142	20	30		FEEDMO
Cc1ccc(OC[C@H](O)C[N@H+]2CCCN(c3ncccc3C#N)CC2)cc1	ZINC000064633118	541213089	/nfs/dbraw/zinc/21/30/89/541213089.db2.gz	QYOUIMYSJFEJKP-LJQANCHMSA-N	1	1	366.465	2.214	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1	ZINC000541906914	541295901	/nfs/dbraw/zinc/29/59/01/541295901.db2.gz	MTVCMNXRQWIHKZ-UHFFFAOYSA-N	1	1	354.389	2.266	20	30		FEEDMO
C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437580	541318632	/nfs/dbraw/zinc/31/86/32/541318632.db2.gz	HLSHIJXAYTVFIA-IRXDYDNUSA-N	1	1	355.486	2.255	20	30		FEEDMO
C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000066437580	541318635	/nfs/dbraw/zinc/31/86/35/541318635.db2.gz	HLSHIJXAYTVFIA-IRXDYDNUSA-N	1	1	355.486	2.255	20	30		FEEDMO
C[N@H+](CC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCSC1	ZINC000542999930	541517118	/nfs/dbraw/zinc/51/71/18/541517118.db2.gz	NUAGYARZVAOMOW-ZDUSSCGKSA-N	1	1	359.430	2.259	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CCSC1	ZINC000542999930	541517121	/nfs/dbraw/zinc/51/71/21/541517121.db2.gz	NUAGYARZVAOMOW-ZDUSSCGKSA-N	1	1	359.430	2.259	20	30		FEEDMO
CNC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000067978827	541535443	/nfs/dbraw/zinc/53/54/43/541535443.db2.gz	YCUHUKDXJJXGTE-CQSZACIVSA-N	1	1	360.483	2.038	20	30		FEEDMO
CCc1nnc2ccc(N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)nn21	ZINC000068661412	541617684	/nfs/dbraw/zinc/61/76/84/541617684.db2.gz	NHXFXVMUNIFUKO-UHFFFAOYSA-N	1	1	361.453	2.271	20	30		FEEDMO
CC[C@H](C)[C@@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)C(=O)OC	ZINC000069520648	541693018	/nfs/dbraw/zinc/69/30/18/541693018.db2.gz	PLLRDTINEWTEBP-HNAYVOBHSA-N	1	1	359.470	2.473	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](CCO)C2CC2)c1C#N	ZINC000071956090	541777179	/nfs/dbraw/zinc/77/71/79/541777179.db2.gz	WRIROZSRFCGTAJ-UHFFFAOYSA-N	1	1	366.465	2.420	20	30		FEEDMO
Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](CCO)C2CC2)c1C#N	ZINC000071956090	541777181	/nfs/dbraw/zinc/77/71/81/541777181.db2.gz	WRIROZSRFCGTAJ-UHFFFAOYSA-N	1	1	366.465	2.420	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CCC[C@@H]2CO)c1C#N	ZINC000072515505	541825091	/nfs/dbraw/zinc/82/50/91/541825091.db2.gz	VWRAOQNEJOOMSF-QGZVFWFLSA-N	1	1	352.438	2.361	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CCC[C@@H]2CO)c1C#N	ZINC000072515505	541825093	/nfs/dbraw/zinc/82/50/93/541825093.db2.gz	VWRAOQNEJOOMSF-QGZVFWFLSA-N	1	1	352.438	2.361	20	30		FEEDMO
N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)c2ccccc21	ZINC000072831241	541875655	/nfs/dbraw/zinc/87/56/55/541875655.db2.gz	JHJFGVGZCLXJNE-NRFANRHFSA-N	1	1	364.449	2.340	20	30		FEEDMO
N#CCCn1cc(C(=O)C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)c2ccccc21	ZINC000072831241	541875659	/nfs/dbraw/zinc/87/56/59/541875659.db2.gz	JHJFGVGZCLXJNE-NRFANRHFSA-N	1	1	364.449	2.340	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)CC1	ZINC000013715173	220089352	/nfs/dbraw/zinc/08/93/52/220089352.db2.gz	AZKDNJDDONJUFX-UHFFFAOYSA-N	1	1	362.433	2.127	20	30		FEEDMO
CC[C@H]1CN(C(=O)CNc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1	ZINC000545403931	541960890	/nfs/dbraw/zinc/96/08/90/541960890.db2.gz	FOUXUFIJUAJYTK-IBGZPJMESA-N	1	1	363.465	2.488	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H](O)COCc1ccccc1	ZINC000074289376	542064212	/nfs/dbraw/zinc/06/42/12/542064212.db2.gz	RMLVZJDGEROQQG-LJQANCHMSA-N	1	1	353.422	2.006	20	30		FEEDMO
C[N@H+](CC(=O)Nc1cccc(C#N)c1)C[C@@H](O)COCc1ccccc1	ZINC000074289376	542064217	/nfs/dbraw/zinc/06/42/17/542064217.db2.gz	RMLVZJDGEROQQG-LJQANCHMSA-N	1	1	353.422	2.006	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000074655407	542107482	/nfs/dbraw/zinc/10/74/82/542107482.db2.gz	KTMDSDITYBFQIK-GOSISDBHSA-N	1	1	371.529	2.362	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cnn3c2nccc3-c2ccccc2)CC1	ZINC000077039889	542343918	/nfs/dbraw/zinc/34/39/18/542343918.db2.gz	WHYOMSQRLWIVQX-UHFFFAOYSA-N	1	1	360.421	2.114	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CC(N)=O)CC1	ZINC000077168652	542349467	/nfs/dbraw/zinc/34/94/67/542349467.db2.gz	AOCVLCPBZOPXPX-AWEZNQCLSA-N	1	1	360.433	2.048	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1	ZINC000077272371	542360458	/nfs/dbraw/zinc/36/04/58/542360458.db2.gz	JIZFMWGSLSTPRF-KRWDZBQOSA-N	1	1	357.454	2.423	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H]1C(=O)N1CCCC1	ZINC000077272371	542360463	/nfs/dbraw/zinc/36/04/63/542360463.db2.gz	JIZFMWGSLSTPRF-KRWDZBQOSA-N	1	1	357.454	2.423	20	30		FEEDMO
C[NH+](C)CCN1CCC(CNC(=O)c2cccc(SCC#N)c2)CC1	ZINC000079537533	542525408	/nfs/dbraw/zinc/52/54/08/542525408.db2.gz	DLETWWBFGZXEPF-UHFFFAOYSA-N	1	1	360.527	2.306	20	30		FEEDMO
C=CCOc1ccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1OC	ZINC000080489334	542591983	/nfs/dbraw/zinc/59/19/83/542591983.db2.gz	MLQHNKYDWYNOIY-UHFFFAOYSA-N	1	1	362.470	2.443	20	30		FEEDMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000083027309	542689292	/nfs/dbraw/zinc/68/92/92/542689292.db2.gz	DFZSNYQDYHPGMN-IXDOHACOSA-N	1	1	359.470	2.331	20	30		FEEDMO
N#Cc1ccc(-c2nnc(CN3CCC[C@@H]3C[N@@H+]3CCC[C@@H]3CO)o2)cc1	ZINC000085856834	542732749	/nfs/dbraw/zinc/73/27/49/542732749.db2.gz	OFXHGBDXJJTHNU-QZTJIDSGSA-N	1	1	367.453	2.029	20	30		FEEDMO
CC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@@H](C)c1cccc(O)c1	ZINC000092619005	542875254	/nfs/dbraw/zinc/87/52/54/542875254.db2.gz	PTNONAZJZOOIBB-PXNSSMCTSA-N	1	1	372.513	2.467	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@@H](C)c1cccc(O)c1	ZINC000092619005	542875257	/nfs/dbraw/zinc/87/52/57/542875257.db2.gz	PTNONAZJZOOIBB-PXNSSMCTSA-N	1	1	372.513	2.467	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](C)[C@H](CO)c1cccc(Br)c1	ZINC000092808627	542888348	/nfs/dbraw/zinc/88/83/48/542888348.db2.gz	REYGBRYVGNQHJK-OAHLLOKOSA-N	1	1	368.275	2.176	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1OC	ZINC000093014578	542901936	/nfs/dbraw/zinc/90/19/36/542901936.db2.gz	MCZRHZXUANQWRE-SFHVURJKSA-N	1	1	374.481	2.473	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)cc1OC	ZINC000093014578	542901940	/nfs/dbraw/zinc/90/19/40/542901940.db2.gz	MCZRHZXUANQWRE-SFHVURJKSA-N	1	1	374.481	2.473	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000093329207	542927072	/nfs/dbraw/zinc/92/70/72/542927072.db2.gz	LQBASGQBZPAVSF-OCCSQVGLSA-N	1	1	370.375	2.314	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000093329207	542927076	/nfs/dbraw/zinc/92/70/76/542927076.db2.gz	LQBASGQBZPAVSF-OCCSQVGLSA-N	1	1	370.375	2.314	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)c(F)c1	ZINC000101792445	543045902	/nfs/dbraw/zinc/04/59/02/543045902.db2.gz	RSVRWVOLFBXQKT-INIZCTEOSA-N	1	1	371.460	2.013	20	30		FEEDMO
Cc1noc(C)c1CN1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1	ZINC000103470440	543109566	/nfs/dbraw/zinc/10/95/66/543109566.db2.gz	YMHPQYCIFNBDHI-UHFFFAOYSA-N	1	1	367.453	2.310	20	30		FEEDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000104075741	543122293	/nfs/dbraw/zinc/12/22/93/543122293.db2.gz	LQMASQYUEJINOH-QWHCGFSZSA-N	1	1	374.510	2.413	20	30		FEEDMO
Cc1nc(C)n(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)NC3(C#N)CCCCC3)C2)n1	ZINC000106179277	543213340	/nfs/dbraw/zinc/21/33/40/543213340.db2.gz	WVXZNLVBKIKZIL-YJBOKZPZSA-N	1	1	372.517	2.338	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc(C#N)cn3)c2)CCO1	ZINC000107569207	543272887	/nfs/dbraw/zinc/27/28/87/543272887.db2.gz	PBQGXEMNQJIKRQ-HNNXBMFYSA-N	1	1	350.422	2.104	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc(C#N)cn3)c2)CCO1	ZINC000107569207	543272889	/nfs/dbraw/zinc/27/28/89/543272889.db2.gz	PBQGXEMNQJIKRQ-HNNXBMFYSA-N	1	1	350.422	2.104	20	30		FEEDMO
C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000108606646	543297430	/nfs/dbraw/zinc/29/74/30/543297430.db2.gz	WXOCZEFPKMWZEQ-OAHLLOKOSA-N	1	1	374.510	2.479	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1	ZINC000109404200	543323882	/nfs/dbraw/zinc/32/38/82/543323882.db2.gz	XUHFTZSNJBVFDZ-INIZCTEOSA-N	1	1	358.486	2.033	20	30		FEEDMO
CC[NH+]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1	ZINC000109404109	543323957	/nfs/dbraw/zinc/32/39/57/543323957.db2.gz	MMOPEWVRPLSJHJ-MRXNPFEDSA-N	1	1	359.449	2.013	20	30		FEEDMO
CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1	ZINC000111226790	543386900	/nfs/dbraw/zinc/38/69/00/543386900.db2.gz	LTUYIGSCOJAIOB-CABCVRRESA-N	1	1	373.501	2.402	20	30		FEEDMO
C[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1	ZINC000111911409	543424993	/nfs/dbraw/zinc/42/49/93/543424993.db2.gz	KEZVYLJXSSFYEL-HNNXBMFYSA-N	1	1	350.422	2.133	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCCN(c2ncccc2C#N)CC1	ZINC000111883409	543423113	/nfs/dbraw/zinc/42/31/13/543423113.db2.gz	CCWFBKQNODEHMC-SFHVURJKSA-N	1	1	370.501	2.049	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1	ZINC000112701004	543457801	/nfs/dbraw/zinc/45/78/01/543457801.db2.gz	FMYWYCYPAFBBAG-QINHECLXSA-N	1	1	364.534	2.304	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000112699674	543457983	/nfs/dbraw/zinc/45/79/83/543457983.db2.gz	UKPSYMFWOLEYIA-MRXNPFEDSA-N	1	1	356.470	2.371	20	30		FEEDMO
CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1	ZINC000112699674	543457986	/nfs/dbraw/zinc/45/79/86/543457986.db2.gz	UKPSYMFWOLEYIA-MRXNPFEDSA-N	1	1	356.470	2.371	20	30		FEEDMO
C[N@@H+](CCNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C1CCCC1	ZINC000114596159	543525165	/nfs/dbraw/zinc/52/51/65/543525165.db2.gz	NGKXPRDQECUMLP-HXUWFJFHSA-N	1	1	369.513	2.280	20	30		FEEDMO
C=CC[C@H](C)NC(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000117078945	543623233	/nfs/dbraw/zinc/62/32/33/543623233.db2.gz	GBKLAPIIQKWUCG-HRCADAONSA-N	1	1	359.470	2.315	20	30		FEEDMO
C=CC[C@H](C)NC(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000117078945	543623239	/nfs/dbraw/zinc/62/32/39/543623239.db2.gz	GBKLAPIIQKWUCG-HRCADAONSA-N	1	1	359.470	2.315	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000118117262	543647129	/nfs/dbraw/zinc/64/71/29/543647129.db2.gz	PIRIEHBISWNPDH-CQSZACIVSA-N	1	1	362.499	2.477	20	30		FEEDMO
C[C@]1(CNS(=O)(=O)c2ccc(C#N)nc2)CCC[N@H+]1Cc1ccccc1	ZINC000119720339	543671441	/nfs/dbraw/zinc/67/14/41/543671441.db2.gz	XNXSLPAHDJTMRE-LJQANCHMSA-N	1	1	370.478	2.286	20	30		FEEDMO
CC(=O)N(C)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1	ZINC000119836919	543672463	/nfs/dbraw/zinc/67/24/63/543672463.db2.gz	UGYOPJFRJRFXMV-OAHLLOKOSA-N	1	1	374.460	2.404	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](Cc2nccn2C)C1	ZINC000123810850	543784210	/nfs/dbraw/zinc/78/42/10/543784210.db2.gz	GKKIFKIAGQWFQX-IAGOWNOFSA-N	1	1	357.502	2.406	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2C1=O	ZINC000123385949	543759101	/nfs/dbraw/zinc/75/91/01/543759101.db2.gz	FNTHRCQUAPTXAL-ZFWWWQNUSA-N	1	1	355.438	2.023	20	30		FEEDMO
C[N@H+](CCc1ccccn1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000124331731	543815092	/nfs/dbraw/zinc/81/50/92/543815092.db2.gz	HQKDAFSMNJGACJ-UHFFFAOYSA-N	1	1	360.421	2.252	20	30		FEEDMO
C[N@@H+](CCc1ccccn1)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000124331731	543815094	/nfs/dbraw/zinc/81/50/94/543815094.db2.gz	HQKDAFSMNJGACJ-UHFFFAOYSA-N	1	1	360.421	2.252	20	30		FEEDMO
CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)cc1	ZINC000124500586	543826356	/nfs/dbraw/zinc/82/63/56/543826356.db2.gz	AWVKCOPUQZKCIF-IBGZPJMESA-N	1	1	370.497	2.107	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000126198061	543923296	/nfs/dbraw/zinc/92/32/96/543923296.db2.gz	MGHWYWYJUBTDSS-LJQANCHMSA-N	1	1	370.497	2.398	20	30		FEEDMO
CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1	ZINC000126198061	543923299	/nfs/dbraw/zinc/92/32/99/543923299.db2.gz	MGHWYWYJUBTDSS-LJQANCHMSA-N	1	1	370.497	2.398	20	30		FEEDMO
N#Cc1ccc([C@@H](O)CN2CC[NH+](CCOc3ccccc3)CC2)cc1	ZINC000126958853	543965179	/nfs/dbraw/zinc/96/51/79/543965179.db2.gz	MTIIRADUJRGPQO-NRFANRHFSA-N	1	1	351.450	2.288	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[NH+]2CCN(CCOc3ccccc3)CC2)cc1	ZINC000126958853	543965183	/nfs/dbraw/zinc/96/51/83/543965183.db2.gz	MTIIRADUJRGPQO-NRFANRHFSA-N	1	1	351.450	2.288	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC(=O)N[C@H]3CCCC[C@H]31)CCC2	ZINC000133442293	544270308	/nfs/dbraw/zinc/27/03/08/544270308.db2.gz	PSUGVWMMAZZDEN-LSDHHAIUSA-N	1	1	372.494	2.180	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC(=O)N[C@H]3CCCC[C@H]31)CCC2	ZINC000133442293	544270310	/nfs/dbraw/zinc/27/03/10/544270310.db2.gz	PSUGVWMMAZZDEN-LSDHHAIUSA-N	1	1	372.494	2.180	20	30		FEEDMO
CC[C@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C(N)=O	ZINC000133733487	544281162	/nfs/dbraw/zinc/28/11/62/544281162.db2.gz	QSABKEZIRGLVRY-IBGZPJMESA-N	1	1	359.474	2.274	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(C#N)cc2F)C1	ZINC000136039431	544365363	/nfs/dbraw/zinc/36/53/63/544365363.db2.gz	QKHXGOOUGDUBFG-CYBMUJFWSA-N	1	1	360.433	2.263	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1	ZINC000151918983	544595704	/nfs/dbraw/zinc/59/57/04/544595704.db2.gz	LGZDEVHOHPRUDE-HOCLYGCPSA-N	1	1	357.454	2.321	20	30		FEEDMO
CSc1cccc(NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000153254229	544753261	/nfs/dbraw/zinc/75/32/61/544753261.db2.gz	BQUMIPHENLWKLB-UHFFFAOYSA-N	1	1	358.471	2.089	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CNc2cccc(C#N)c2)C[C@H](C)O1	ZINC000154941947	544968228	/nfs/dbraw/zinc/96/82/28/544968228.db2.gz	OJWBXZXBSUEUNV-FCEWJHQRSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)CNc2cccc(C#N)c2)C[C@H](C)O1	ZINC000154941947	544968233	/nfs/dbraw/zinc/96/82/33/544968233.db2.gz	OJWBXZXBSUEUNV-FCEWJHQRSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@@H]1CC[C@@](CO)([N@@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1	ZINC000188023018	328060925	/nfs/dbraw/zinc/06/09/25/328060925.db2.gz	NAHMAXNGTOYWPT-FOIQADDNSA-N	1	1	367.453	2.165	20	30		FEEDMO
CCOC(=O)C1CCC(O)(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)CC1	ZINC000191738604	328279503	/nfs/dbraw/zinc/27/95/03/328279503.db2.gz	FXHKDJGACQJEHL-UHFFFAOYSA-N	1	1	358.438	2.106	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000192939931	328348164	/nfs/dbraw/zinc/34/81/64/328348164.db2.gz	YRIBOEXGUACGCX-MRXNPFEDSA-N	1	1	373.501	2.434	20	30		FEEDMO
N#Cc1cccc(CS(=O)(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000192980779	328350353	/nfs/dbraw/zinc/35/03/53/328350353.db2.gz	IVJUZYSHMZPGRS-FQEVSTJZSA-N	1	1	369.490	2.500	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1	ZINC000063815890	324867724	/nfs/dbraw/zinc/86/77/24/324867724.db2.gz	RXEFTEBHYCHBDP-KRWDZBQOSA-N	1	1	366.421	2.352	20	30		FEEDMO
N#Cc1cccc(OCC[NH+]2CCN(Cc3nccn3C(F)F)CC2)c1	ZINC000081600812	325187812	/nfs/dbraw/zinc/18/78/12/325187812.db2.gz	QKJXHCONBCUNEJ-UHFFFAOYSA-N	1	1	361.396	2.346	20	30		FEEDMO
CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000083169850	325214438	/nfs/dbraw/zinc/21/44/38/325214438.db2.gz	KIGVSIGJBLSDQF-JKSUJKDBSA-N	1	1	374.510	2.353	20	30		FEEDMO
CCCCNC(=O)[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000083169850	325214440	/nfs/dbraw/zinc/21/44/40/325214440.db2.gz	KIGVSIGJBLSDQF-JKSUJKDBSA-N	1	1	374.510	2.353	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1Cl	ZINC000089155641	325305160	/nfs/dbraw/zinc/30/51/60/325305160.db2.gz	CPSROHDCZKFKLR-DLBZAZTESA-N	1	1	363.845	2.420	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccn(-c2ccc(F)cc2)n1	ZINC000089943739	325344276	/nfs/dbraw/zinc/34/42/76/325344276.db2.gz	IWEOLQYRYVSORY-UHFFFAOYSA-N	1	1	353.405	2.253	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1	ZINC000090463269	325359526	/nfs/dbraw/zinc/35/95/26/325359526.db2.gz	JNZUZNBMPCNQTI-MSOLQXFVSA-N	1	1	359.495	2.161	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1	ZINC000090463269	325359528	/nfs/dbraw/zinc/35/95/28/325359528.db2.gz	JNZUZNBMPCNQTI-MSOLQXFVSA-N	1	1	359.495	2.161	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(Cc2cccnc2)CC1	ZINC000091077463	325373285	/nfs/dbraw/zinc/37/32/85/325373285.db2.gz	XSLOJIXXNBLXEG-UHFFFAOYSA-N	1	1	355.467	2.161	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C#N)cc2F)C1	ZINC000120296244	326247270	/nfs/dbraw/zinc/24/72/70/326247270.db2.gz	BHZLXJIRZCFOPZ-OAHLLOKOSA-N	1	1	353.463	2.344	20	30		FEEDMO
CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cn2ccccc2c1C#N	ZINC000121232978	326323668	/nfs/dbraw/zinc/32/36/68/326323668.db2.gz	UGSJBNYDMZCTLK-MRXNPFEDSA-N	1	1	360.483	2.105	20	30		FEEDMO
CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N	ZINC000121232978	326323670	/nfs/dbraw/zinc/32/36/70/326323670.db2.gz	UGSJBNYDMZCTLK-MRXNPFEDSA-N	1	1	360.483	2.105	20	30		FEEDMO
Cc1ccc(N2CCC(NS(=O)(=O)c3ccccc3C#N)CC2)[nH+]c1	ZINC000121868795	326372898	/nfs/dbraw/zinc/37/28/98/326372898.db2.gz	QVNVHIYINMOPTR-UHFFFAOYSA-N	1	1	356.451	2.209	20	30		FEEDMO
CC[NH+]1CCN(C(=O)Cc2ccc(NCc3ccc(C#N)o3)cc2)CC1	ZINC000152414905	326706852	/nfs/dbraw/zinc/70/68/52/326706852.db2.gz	SMGSRSJZOJXODS-UHFFFAOYSA-N	1	1	352.438	2.470	20	30		FEEDMO
C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000160129606	326954400	/nfs/dbraw/zinc/95/44/00/326954400.db2.gz	FXWGYUBALAQGCB-MRXNPFEDSA-N	1	1	359.470	2.142	20	30		FEEDMO
CC(C)[C@@H](C(=O)NCCOc1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000174158259	327309340	/nfs/dbraw/zinc/30/93/40/327309340.db2.gz	MCQDARZPZYQQHC-FCEWJHQRSA-N	1	1	359.470	2.187	20	30		FEEDMO
CC(C)[C@@H](C(=O)NCCOc1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000174158259	327309342	/nfs/dbraw/zinc/30/93/42/327309342.db2.gz	MCQDARZPZYQQHC-FCEWJHQRSA-N	1	1	359.470	2.187	20	30		FEEDMO
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)C2	ZINC000174252502	327315627	/nfs/dbraw/zinc/31/56/27/327315627.db2.gz	ZWODGDXSIZUZBJ-GOOCMWNKSA-N	1	1	360.845	2.282	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2cccc(C)c2C#N)cn1	ZINC000174758620	327348859	/nfs/dbraw/zinc/34/88/59/327348859.db2.gz	QKSJFYHWXCDBJX-UHFFFAOYSA-N	1	1	374.404	2.011	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cc(C#N)c[nH]3)cc2)C[C@H](C)O1	ZINC000175269634	327383564	/nfs/dbraw/zinc/38/35/64/327383564.db2.gz	KPMCOJKZQLZRMD-GASCZTMLSA-N	1	1	352.438	2.426	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccsc1	ZINC000264034591	328986690	/nfs/dbraw/zinc/98/66/90/328986690.db2.gz	BQBJLZSRYHNDTO-OAHLLOKOSA-N	1	1	353.444	2.340	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)ccc1F	ZINC000265844609	329165767	/nfs/dbraw/zinc/16/57/67/329165767.db2.gz	VCFCJPJTQMLFOG-UHFFFAOYSA-N	1	1	358.417	2.113	20	30		FEEDMO
CC(C)N1CC[NH+](C2CCN(CCOc3ccccc3C#N)CC2)CC1	ZINC000270966889	329649881	/nfs/dbraw/zinc/64/98/81/329649881.db2.gz	VQTYOXXJGMXFCU-UHFFFAOYSA-N	1	1	356.514	2.427	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@]2(C1)CCCOC2	ZINC000367068193	330213353	/nfs/dbraw/zinc/21/33/53/330213353.db2.gz	PUQHZGOJBGYHSM-FQEVSTJZSA-N	1	1	365.437	2.185	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@]2(C1)CCCOC2	ZINC000367068193	330213354	/nfs/dbraw/zinc/21/33/54/330213354.db2.gz	PUQHZGOJBGYHSM-FQEVSTJZSA-N	1	1	365.437	2.185	20	30		FEEDMO
N#Cc1ccc2ncc(C[NH+]3CCC(C(=O)Nc4ccccn4)CC3)n2c1	ZINC000367221514	330232048	/nfs/dbraw/zinc/23/20/48/330232048.db2.gz	MDLLENVDTISNQE-UHFFFAOYSA-N	1	1	360.421	2.452	20	30		FEEDMO
Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2CCC(=O)Nc2ccc(C#N)cc2)cn1	ZINC000371454564	330243477	/nfs/dbraw/zinc/24/34/77/330243477.db2.gz	ADTRTRTXAIYSOX-RTBURBONSA-N	1	1	367.453	2.208	20	30		FEEDMO
C#C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)c1ccc(Cl)cc1F	ZINC000805186376	674324915	/nfs/dbraw/zinc/32/49/15/674324915.db2.gz	GTQTVUNAUSIGHM-SUMWQHHRSA-N	1	1	366.868	2.089	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1F	ZINC000805221389	674326464	/nfs/dbraw/zinc/32/64/64/674326464.db2.gz	IXEQIWOIOJUQGB-UVBJJODRSA-N	1	1	353.825	2.172	20	30		FEEDMO
C#C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1F	ZINC000805221389	674326468	/nfs/dbraw/zinc/32/64/68/674326468.db2.gz	IXEQIWOIOJUQGB-UVBJJODRSA-N	1	1	353.825	2.172	20	30		FEEDMO
CC(=O)Nc1cccc(C[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1	ZINC000155644702	545552745	/nfs/dbraw/zinc/55/27/45/545552745.db2.gz	GKMPJTWUKFGTSY-CQSZACIVSA-N	1	1	350.426	2.017	20	30		FEEDMO
CC(=O)Nc1cccc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@H]2C)c1	ZINC000155644702	545552748	/nfs/dbraw/zinc/55/27/48/545552748.db2.gz	GKMPJTWUKFGTSY-CQSZACIVSA-N	1	1	350.426	2.017	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1	ZINC000156096318	545598583	/nfs/dbraw/zinc/59/85/83/545598583.db2.gz	WDYSETVOJGKFDW-MRXNPFEDSA-N	1	1	374.422	2.048	20	30		FEEDMO
N#Cc1cc(F)ccc1S(=O)(=O)NCCC[N@H+]1CCc2ccccc2C1	ZINC000156399881	545625069	/nfs/dbraw/zinc/62/50/69/545625069.db2.gz	QTQXHVQSMVESMJ-UHFFFAOYSA-N	1	1	373.453	2.424	20	30		FEEDMO
CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1	ZINC000157250475	545717692	/nfs/dbraw/zinc/71/76/92/545717692.db2.gz	NATGFLSQURUOOL-UHFFFAOYSA-N	1	1	361.389	2.293	20	30		FEEDMO
CC[N@H+]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1	ZINC000157250475	545717698	/nfs/dbraw/zinc/71/76/98/545717698.db2.gz	NATGFLSQURUOOL-UHFFFAOYSA-N	1	1	361.389	2.293	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)c1	ZINC000158598662	545876239	/nfs/dbraw/zinc/87/62/39/545876239.db2.gz	FZTQIRIRANEYLL-MRXNPFEDSA-N	1	1	350.422	2.378	20	30		FEEDMO
C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1C[N@H+](C)CCO1	ZINC000159130807	545924281	/nfs/dbraw/zinc/92/42/81/545924281.db2.gz	IORWVJVNJOCEAT-QMTHXVAHSA-N	1	1	354.357	2.000	20	30		FEEDMO
C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1C[N@@H+](C)CCO1	ZINC000159130807	545924284	/nfs/dbraw/zinc/92/42/84/545924284.db2.gz	IORWVJVNJOCEAT-QMTHXVAHSA-N	1	1	354.357	2.000	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O	ZINC000159714401	545975680	/nfs/dbraw/zinc/97/56/80/545975680.db2.gz	GOXIVMWRAMRANO-BQFCYCMXSA-N	1	1	359.470	2.423	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000160129520	546010288	/nfs/dbraw/zinc/01/02/88/546010288.db2.gz	FXWGYUBALAQGCB-INIZCTEOSA-N	1	1	359.470	2.142	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)cc1C#N	ZINC000161267164	546114758	/nfs/dbraw/zinc/11/47/58/546114758.db2.gz	WYVTYGCVEXLKCX-UHFFFAOYSA-N	1	1	372.469	2.275	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2sccc2Br)CC1	ZINC000171536854	546214168	/nfs/dbraw/zinc/21/41/68/546214168.db2.gz	HZKIBLSCKWCOQB-UHFFFAOYSA-N	1	1	365.318	2.439	20	30		FEEDMO
C=CCNC(=O)Nc1ccc(NC(=O)CCCC[NH+]2CCOCC2)cc1	ZINC000171951856	546231927	/nfs/dbraw/zinc/23/19/27/546231927.db2.gz	UXCOAUJITNNAPD-UHFFFAOYSA-N	1	1	360.458	2.435	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](OCCO)C2)c1	ZINC000172296420	546244633	/nfs/dbraw/zinc/24/46/33/546244633.db2.gz	PPLJHAMMCZFXLE-IBGZPJMESA-N	1	1	359.470	2.023	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](OCCO)C2)c1	ZINC000172296420	546244635	/nfs/dbraw/zinc/24/46/35/546244635.db2.gz	PPLJHAMMCZFXLE-IBGZPJMESA-N	1	1	359.470	2.023	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000173737074	546285344	/nfs/dbraw/zinc/28/53/44/546285344.db2.gz	NDDBCTJFSKVDER-FCEWJHQRSA-N	1	1	358.461	2.407	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1	ZINC000175162876	546306980	/nfs/dbraw/zinc/30/69/80/546306980.db2.gz	BLBGQRZDNIDNER-LJQANCHMSA-N	1	1	355.482	2.472	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1	ZINC000175162876	546306983	/nfs/dbraw/zinc/30/69/83/546306983.db2.gz	BLBGQRZDNIDNER-LJQANCHMSA-N	1	1	355.482	2.472	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C#Cc1ccccc1	ZINC000176039556	546394767	/nfs/dbraw/zinc/39/47/67/546394767.db2.gz	PKIVPNOUMUGHKH-LJQANCHMSA-N	1	1	361.445	2.235	20	30		FEEDMO
C=CCSCCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000176242387	546423546	/nfs/dbraw/zinc/42/35/46/546423546.db2.gz	NECGUPGBAFZBRQ-QGZVFWFLSA-N	1	1	362.543	2.416	20	30		FEEDMO
N#Cc1ccc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)s1	ZINC000176444351	546447478	/nfs/dbraw/zinc/44/74/78/546447478.db2.gz	XUJQRZSSRWGNAU-OAHLLOKOSA-N	1	1	366.406	2.227	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000177010058	546523072	/nfs/dbraw/zinc/52/30/72/546523072.db2.gz	MVODRSQEMIDXTA-KGLIPLIRSA-N	1	1	369.512	2.236	20	30		FEEDMO
C=CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)Cc1ccc(OC)cc1	ZINC000177017665	546523959	/nfs/dbraw/zinc/52/39/59/546523959.db2.gz	HYNRYFUEQMIOIK-UHFFFAOYSA-N	1	1	373.375	2.461	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1	ZINC000177064459	546535935	/nfs/dbraw/zinc/53/59/35/546535935.db2.gz	BBIYEVSACCACPG-GOEBONIOSA-N	1	1	357.454	2.467	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C[N@H+]1C1CC1	ZINC000177146142	546554246	/nfs/dbraw/zinc/55/42/46/546554246.db2.gz	UAXZLZKGOCONPB-DLBZAZTESA-N	1	1	368.481	2.455	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+]2CC[C@](C)(O)C2)c1C#N	ZINC000177981806	546718181	/nfs/dbraw/zinc/71/81/81/546718181.db2.gz	HCRFKESLENMJJO-FQEVSTJZSA-N	1	1	352.438	2.361	20	30		FEEDMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@H+]2CC[C@](C)(O)C2)c1C#N	ZINC000177981806	546718186	/nfs/dbraw/zinc/71/81/86/546718186.db2.gz	HCRFKESLENMJJO-FQEVSTJZSA-N	1	1	352.438	2.361	20	30		FEEDMO
C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(C#N)c2)[C@@H]1c1ccccc1	ZINC000179475535	546960914	/nfs/dbraw/zinc/96/09/14/546960914.db2.gz	GBOYOCNYLHFLBM-MSOLQXFVSA-N	1	1	366.396	2.197	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)N1CC[NH+](C)CC1	ZINC000180081928	547049318	/nfs/dbraw/zinc/04/93/18/547049318.db2.gz	NTOFQUJCDSLQRE-SJLPKXTDSA-N	1	1	373.501	2.371	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1	ZINC000180402577	547101741	/nfs/dbraw/zinc/10/17/41/547101741.db2.gz	GRBWDARMSTVDKQ-WBVHZDCISA-N	1	1	353.466	2.376	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000180413721	547103795	/nfs/dbraw/zinc/10/37/95/547103795.db2.gz	ZZWVIJNWKLOPJQ-ZBFHGGJFSA-N	1	1	354.454	2.266	20	30		FEEDMO
CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2Cc3ccccc3C[C@@H]2C)CC1	ZINC000180685553	547158077	/nfs/dbraw/zinc/15/80/77/547158077.db2.gz	IWXFMOGNCHWNNT-PXNSSMCTSA-N	1	1	354.498	2.126	20	30		FEEDMO
N#Cc1cccc(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1	ZINC000180723763	547166481	/nfs/dbraw/zinc/16/64/81/547166481.db2.gz	NLPDTIUVVRVCSU-IBGZPJMESA-N	1	1	350.422	2.447	20	30		FEEDMO
Cc1nc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1C#N	ZINC000180872624	547199512	/nfs/dbraw/zinc/19/95/12/547199512.db2.gz	YQZKHBPSGZECPZ-LJQANCHMSA-N	1	1	364.449	2.148	20	30		FEEDMO
CC#CCCNC(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000482968513	561264035	/nfs/dbraw/zinc/26/40/35/561264035.db2.gz	ALGAOPIGDHXFDI-UHFFFAOYSA-N	1	1	373.497	2.389	20	30		FEEDMO
C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2cc(C#N)ccn2)C[C@H](C)O1	ZINC000482997423	561264522	/nfs/dbraw/zinc/26/45/22/561264522.db2.gz	DJARPRDDMDTWAO-HOTGVXAUSA-N	1	1	364.449	2.492	20	30		FEEDMO
C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000181326113	547294857	/nfs/dbraw/zinc/29/48/57/547294857.db2.gz	IPIRSDHGAOWLTP-UHFFFAOYSA-N	1	1	359.879	2.037	20	30		FEEDMO
C=C(C)C[N@H+](C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000181326113	547294863	/nfs/dbraw/zinc/29/48/63/547294863.db2.gz	IPIRSDHGAOWLTP-UHFFFAOYSA-N	1	1	359.879	2.037	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C)c2ccc(F)cc2F)CC1	ZINC000181583818	547340180	/nfs/dbraw/zinc/34/01/80/547340180.db2.gz	BCEDNODVAXJVIZ-RDTXWAMCSA-N	1	1	364.440	2.308	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)C1	ZINC000181824616	547387358	/nfs/dbraw/zinc/38/73/58/547387358.db2.gz	VGHIJYJVPKZKQU-JKSUJKDBSA-N	1	1	372.469	2.153	20	30		FEEDMO
CN1CCN([C@H]2CCCC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1	ZINC000182907735	547570600	/nfs/dbraw/zinc/57/06/00/547570600.db2.gz	YQYHDBUTBHIUEI-FQEVSTJZSA-N	1	1	356.514	2.429	20	30		FEEDMO
CC(C)[N@@H+](CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CC1	ZINC000183167656	547614933	/nfs/dbraw/zinc/61/49/33/547614933.db2.gz	XBWLTQQNCACAEA-IBGZPJMESA-N	1	1	358.461	2.407	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)[NH+]1CCOCC1	ZINC000184360619	547813511	/nfs/dbraw/zinc/81/35/11/547813511.db2.gz	AYLRKRHJTKIQIX-NVXWUHKLSA-N	1	1	360.458	2.456	20	30		FEEDMO
C[C@@H]1C[C@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC[N@H+]1C	ZINC000184641977	547859706	/nfs/dbraw/zinc/85/97/06/547859706.db2.gz	PNFGYQVMZUAEEG-CZUORRHYSA-N	1	1	353.430	2.085	20	30		FEEDMO
COc1cc(Cl)cc(C[N@@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1O	ZINC000184702566	547866968	/nfs/dbraw/zinc/86/69/68/547866968.db2.gz	SWXAIJIGEMKQAP-LBPRGKRZSA-N	1	1	373.844	2.427	20	30		FEEDMO
COc1cc(Cl)cc(C[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)c1O	ZINC000184702566	547866970	/nfs/dbraw/zinc/86/69/70/547866970.db2.gz	SWXAIJIGEMKQAP-LBPRGKRZSA-N	1	1	373.844	2.427	20	30		FEEDMO
C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1nnnn1-c1ccccc1	ZINC000184802739	547881594	/nfs/dbraw/zinc/88/15/94/547881594.db2.gz	HWBZZKOLCJNBAK-CQSZACIVSA-N	1	1	361.409	2.213	20	30		FEEDMO
C=CCSCCNC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000186631756	548162576	/nfs/dbraw/zinc/16/25/76/548162576.db2.gz	CPNRAZNAZWVTRN-IBGZPJMESA-N	1	1	363.527	2.184	20	30		FEEDMO
C[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1	ZINC000186868418	548209061	/nfs/dbraw/zinc/20/90/61/548209061.db2.gz	MXEISSSXAYOYMI-MRXNPFEDSA-N	1	1	365.433	2.489	20	30		FEEDMO
C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)N(C)CCC#N	ZINC000189948274	548313754	/nfs/dbraw/zinc/31/37/54/548313754.db2.gz	NBRNFQIJMFRVKR-ROUUACIJSA-N	1	1	356.514	2.495	20	30		FEEDMO
C=C(C)COCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000190582247	548328618	/nfs/dbraw/zinc/32/86/18/548328618.db2.gz	PFCKQPVHLRBOCO-LJQANCHMSA-N	1	1	361.486	2.169	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1	ZINC000191302466	548342680	/nfs/dbraw/zinc/34/26/80/548342680.db2.gz	NGSCKVJFVIVPDK-NSHDSACASA-N	1	1	350.410	2.396	20	30		FEEDMO
CC(C)(C)n1cc(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000191576935	548347975	/nfs/dbraw/zinc/34/79/75/548347975.db2.gz	XIZDLPBRWJBSDE-UHFFFAOYSA-N	1	1	366.469	2.253	20	30		FEEDMO
CC(C)(C)n1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nn1	ZINC000191576935	548347982	/nfs/dbraw/zinc/34/79/82/548347982.db2.gz	XIZDLPBRWJBSDE-UHFFFAOYSA-N	1	1	366.469	2.253	20	30		FEEDMO
CC[C@H](C)[C@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)OC	ZINC000194540284	548496524	/nfs/dbraw/zinc/49/65/24/548496524.db2.gz	MPRNDIMZNLNSMO-LIRRHRJNSA-N	1	1	357.454	2.227	20	30		FEEDMO
CC[C@H](C)[C@H](NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C(=O)OC	ZINC000194540284	548496528	/nfs/dbraw/zinc/49/65/28/548496528.db2.gz	MPRNDIMZNLNSMO-LIRRHRJNSA-N	1	1	357.454	2.227	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000194629834	548508804	/nfs/dbraw/zinc/50/88/04/548508804.db2.gz	XVNSYHUIPCQHRK-GOSISDBHSA-N	1	1	362.433	2.135	20	30		FEEDMO
N#Cc1ccccc1/C=C/C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1	ZINC000245570015	548949070	/nfs/dbraw/zinc/94/90/70/548949070.db2.gz	AEFLCALIIUISLQ-HRZVIGLNSA-N	1	1	361.445	2.323	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCCC[N@H+]1CCC[C@H]1CO	ZINC000245722525	548982753	/nfs/dbraw/zinc/98/27/53/548982753.db2.gz	RKMPQDZFVLUDTR-ICSRJNTNSA-N	1	1	373.497	2.315	20	30		FEEDMO
C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2F)C1=O	ZINC000246101571	549052763	/nfs/dbraw/zinc/05/27/63/549052763.db2.gz	WLDFNFNGGCAGQA-OALUTQOASA-N	1	1	353.397	2.468	20	30		FEEDMO
C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2F)C1=O	ZINC000246101571	549052764	/nfs/dbraw/zinc/05/27/64/549052764.db2.gz	WLDFNFNGGCAGQA-OALUTQOASA-N	1	1	353.397	2.468	20	30		FEEDMO
Cc1noc([C@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000246172091	549069255	/nfs/dbraw/zinc/06/92/55/549069255.db2.gz	SOEPOTPWHCGUAS-RDJZCZTQSA-N	1	1	351.410	2.235	20	30		FEEDMO
Cc1noc([C@H]2CCC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000246172091	549069261	/nfs/dbraw/zinc/06/92/61/549069261.db2.gz	SOEPOTPWHCGUAS-RDJZCZTQSA-N	1	1	351.410	2.235	20	30		FEEDMO
Cc1noc([C@@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000246172096	549069405	/nfs/dbraw/zinc/06/94/05/549069405.db2.gz	SOEPOTPWHCGUAS-WBVHZDCISA-N	1	1	351.410	2.235	20	30		FEEDMO
Cc1noc([C@@H]2CCC[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C2)n1	ZINC000246172096	549069409	/nfs/dbraw/zinc/06/94/09/549069409.db2.gz	SOEPOTPWHCGUAS-WBVHZDCISA-N	1	1	351.410	2.235	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)c(C#N)c1	ZINC000246200355	549076012	/nfs/dbraw/zinc/07/60/12/549076012.db2.gz	ORXJOHKHOOGZCY-KBPBESRZSA-N	1	1	353.875	2.459	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000246271658	549093633	/nfs/dbraw/zinc/09/36/33/549093633.db2.gz	ANQSZKKXQITITQ-RHSMWYFYSA-N	1	1	356.470	2.271	20	30		FEEDMO
CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N	ZINC000246288083	549096900	/nfs/dbraw/zinc/09/69/00/549096900.db2.gz	XPUFXXOOWMVHDP-KGLIPLIRSA-N	1	1	362.499	2.191	20	30		FEEDMO
C=CCn1cccc1C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000488461873	561390231	/nfs/dbraw/zinc/39/02/31/561390231.db2.gz	OPDUPMVUYITNNE-UHFFFAOYSA-N	1	1	352.482	2.352	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1	ZINC000246509484	549149750	/nfs/dbraw/zinc/14/97/50/549149750.db2.gz	ICQJBCNRXOTPSD-RRQGHBQHSA-N	1	1	363.433	2.114	20	30		FEEDMO
CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H](C)C(=O)Nc1cccc(C#N)c1)CC2	ZINC000247005426	549262888	/nfs/dbraw/zinc/26/28/88/549262888.db2.gz	QDZXHSILDHSWTE-ZTFGCOKTSA-N	1	1	357.454	2.137	20	30		FEEDMO
CCc1ccc([C@@H](CNS(=O)(=O)c2cnc(C)c(C#N)c2)[NH+](C)C)cc1	ZINC000489067279	561402519	/nfs/dbraw/zinc/40/25/19/561402519.db2.gz	DGTXHQUGDSJMES-LJQANCHMSA-N	1	1	372.494	2.405	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NCCC[N@H+](C)C2CCCCC2)cc1C#N	ZINC000489112822	561403681	/nfs/dbraw/zinc/40/36/81/561403681.db2.gz	CXUFZPHBALFQGP-UHFFFAOYSA-N	1	1	350.488	2.195	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1F	ZINC000489117179	561403765	/nfs/dbraw/zinc/40/37/65/561403765.db2.gz	NOEWIKYZXWAECS-UHFFFAOYSA-N	1	1	373.453	2.424	20	30		FEEDMO
C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000489394508	561409985	/nfs/dbraw/zinc/40/99/85/561409985.db2.gz	CAXGNMRPGOYZJY-APWZRJJASA-N	1	1	369.465	2.409	20	30		FEEDMO
C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000489394508	561409986	/nfs/dbraw/zinc/40/99/86/561409986.db2.gz	CAXGNMRPGOYZJY-APWZRJJASA-N	1	1	369.465	2.409	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC[C@H]21	ZINC000248620343	549469418	/nfs/dbraw/zinc/46/94/18/549469418.db2.gz	XVVRFHSNCOLVCE-UKRRQHHQSA-N	1	1	353.875	2.316	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H]1C	ZINC000249049899	549542758	/nfs/dbraw/zinc/54/27/58/549542758.db2.gz	HYWSVIDBJNFLGA-PVXQGDRASA-N	1	1	363.502	2.437	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C[C@@H]1C	ZINC000249049899	549542761	/nfs/dbraw/zinc/54/27/61/549542761.db2.gz	HYWSVIDBJNFLGA-PVXQGDRASA-N	1	1	363.502	2.437	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000249169084	549564016	/nfs/dbraw/zinc/56/40/16/549564016.db2.gz	KTRXHHYOBXTAGY-GDBMZVCRSA-N	1	1	374.510	2.429	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NCC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1	ZINC000249439239	549592760	/nfs/dbraw/zinc/59/27/60/549592760.db2.gz	LRFDXEOEUVOULB-QFBILLFUSA-N	1	1	358.486	2.223	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCCC)C1	ZINC000250427401	549641606	/nfs/dbraw/zinc/64/16/06/549641606.db2.gz	GQHQAGSQOYVVLX-RTBURBONSA-N	1	1	360.498	2.393	20	30		FEEDMO
C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000250642490	549643599	/nfs/dbraw/zinc/64/35/99/549643599.db2.gz	VRBBBTPSUOOSLS-OLZOCXBDSA-N	1	1	362.861	2.387	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1	ZINC000489868030	561420897	/nfs/dbraw/zinc/42/08/97/561420897.db2.gz	AXBCPGZNJWCZFF-CYBMUJFWSA-N	1	1	371.407	2.380	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1	ZINC000489868030	561420898	/nfs/dbraw/zinc/42/08/98/561420898.db2.gz	AXBCPGZNJWCZFF-CYBMUJFWSA-N	1	1	371.407	2.380	20	30		FEEDMO
CC(C)CCC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000263845136	549944535	/nfs/dbraw/zinc/94/45/35/549944535.db2.gz	AMCOCHOXDVKMTG-UHFFFAOYSA-N	1	1	370.497	2.145	20	30		FEEDMO
C=CCOc1ccc(/C=C/C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1OC	ZINC000264463529	549996677	/nfs/dbraw/zinc/99/66/77/549996677.db2.gz	SCOJDYIVAWHBBV-UGAXZCSASA-N	1	1	373.497	2.025	20	30		FEEDMO
CC(C)(C)C[N@H+](CCCO)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1	ZINC000264741298	550000847	/nfs/dbraw/zinc/00/08/47/550000847.db2.gz	UGWPHBPYGJHFRK-OAHLLOKOSA-N	1	1	370.453	2.242	20	30		FEEDMO
CC(C)(C)C[N@@H+](CCCO)CC(=O)[C@@H](C#N)c1nc2ccccc2c(=O)[nH]1	ZINC000264741298	550000848	/nfs/dbraw/zinc/00/08/48/550000848.db2.gz	UGWPHBPYGJHFRK-OAHLLOKOSA-N	1	1	370.453	2.242	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000491114234	561443017	/nfs/dbraw/zinc/44/30/17/561443017.db2.gz	UVHWUTGDWJPJEI-DOTOQJQBSA-N	1	1	359.474	2.236	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1	ZINC000268169836	550037121	/nfs/dbraw/zinc/03/71/21/550037121.db2.gz	LOEXZXPGTARJAX-KDOFPFPSSA-N	1	1	357.454	2.179	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1nc(-c2cccc(C#N)c2)c[nH]1)[C@@H]1CCSC1	ZINC000491823642	561447679	/nfs/dbraw/zinc/44/76/79/561447679.db2.gz	DYHJCXHPGUSPTI-OAHLLOKOSA-N	1	1	355.467	2.002	20	30		FEEDMO
COC(=O)CCC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1	ZINC000269080620	550152517	/nfs/dbraw/zinc/15/25/17/550152517.db2.gz	FLKWLGWNPCACFG-FQEVSTJZSA-N	1	1	357.454	2.250	20	30		FEEDMO
COC(=O)CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)Cc1ccccc1	ZINC000269080620	550152520	/nfs/dbraw/zinc/15/25/20/550152520.db2.gz	FLKWLGWNPCACFG-FQEVSTJZSA-N	1	1	357.454	2.250	20	30		FEEDMO
Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO	ZINC000270852723	550314152	/nfs/dbraw/zinc/31/41/52/550314152.db2.gz	MCJOXIJFUFOJTF-TZIWHRDSSA-N	1	1	363.461	2.480	20	30		FEEDMO
Cn1cc(C[NH+]2CCN(c3cc(C#N)ccn3)CC2)c(-c2cccnc2)n1	ZINC000271042016	550334548	/nfs/dbraw/zinc/33/45/48/550334548.db2.gz	NOHCFDRRYREVCT-UHFFFAOYSA-N	1	1	359.437	2.071	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCc1cnccn1	ZINC000271294137	550362068	/nfs/dbraw/zinc/36/20/68/550362068.db2.gz	CSTGDZRDQBQYPW-HNNXBMFYSA-N	1	1	355.417	2.425	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CCc1cnccn1	ZINC000271294137	550362070	/nfs/dbraw/zinc/36/20/70/550362070.db2.gz	CSTGDZRDQBQYPW-HNNXBMFYSA-N	1	1	355.417	2.425	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)NCCCCN1CC[NH+](CC)CC1	ZINC000272432794	550447284	/nfs/dbraw/zinc/44/72/84/550447284.db2.gz	JMACJDKXXWAYKV-UHFFFAOYSA-N	1	1	362.518	2.437	20	30		FEEDMO
COc1cc(-c2noc(CO[NH+]=C(N)C(C)C)n2)cc(OC)c1OC	ZINC000274738159	550551259	/nfs/dbraw/zinc/55/12/59/550551259.db2.gz	MKXCPMYLIYUFRN-UHFFFAOYSA-N	1	1	350.375	2.207	20	30		FEEDMO
C=CCCN(C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1	ZINC000276085469	550576623	/nfs/dbraw/zinc/57/66/23/550576623.db2.gz	LUGMKPLRJZIMBR-UHFFFAOYSA-N	1	1	374.485	2.065	20	30		FEEDMO
C[C@H](O)C[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)CO	ZINC000276188578	550577381	/nfs/dbraw/zinc/57/73/81/550577381.db2.gz	LKFXPGVWDZPFRT-KKUMJFAQSA-N	1	1	365.499	2.083	20	30		FEEDMO
C[C@H](O)C[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)[C@@H](C)CO	ZINC000276188578	550577382	/nfs/dbraw/zinc/57/73/82/550577382.db2.gz	LKFXPGVWDZPFRT-KKUMJFAQSA-N	1	1	365.499	2.083	20	30		FEEDMO
C#CCC1(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCCCC1	ZINC000276313047	550578005	/nfs/dbraw/zinc/57/80/05/550578005.db2.gz	MUMZGRNHWPBMMK-UHFFFAOYSA-N	1	1	369.513	2.079	20	30		FEEDMO
CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccnc1C#N	ZINC000277216254	550644570	/nfs/dbraw/zinc/64/45/70/550644570.db2.gz	RFSXJHLFVVXBDC-QGZVFWFLSA-N	1	1	370.478	2.238	20	30		FEEDMO
CN([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1cccnc1C#N	ZINC000277216254	550644572	/nfs/dbraw/zinc/64/45/72/550644572.db2.gz	RFSXJHLFVVXBDC-QGZVFWFLSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1)C1CC1	ZINC000277757935	550710669	/nfs/dbraw/zinc/71/06/69/550710669.db2.gz	JVQLTWYAKDQSIN-BDJLRTHQSA-N	1	1	369.391	2.416	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1)C1CC1	ZINC000277757935	550710671	/nfs/dbraw/zinc/71/06/71/550710671.db2.gz	JVQLTWYAKDQSIN-BDJLRTHQSA-N	1	1	369.391	2.416	20	30		FEEDMO
CC(C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C[C@H](O)COc1ccccc1	ZINC000277843141	550720653	/nfs/dbraw/zinc/72/06/53/550720653.db2.gz	SDBLRDRTJWLZGT-FXAWDEMLSA-N	1	1	361.486	2.191	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc([C@H]3CC(=O)N(Cc4ccccc4)C3)no2)CC1	ZINC000277873677	550724025	/nfs/dbraw/zinc/72/40/25/550724025.db2.gz	KLUXPAMKIMHXJR-SFHVURJKSA-N	1	1	364.449	2.398	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CSc1ccc(C#N)cc1	ZINC000278488518	550791536	/nfs/dbraw/zinc/79/15/36/550791536.db2.gz	LRKHVIYSBFPVQO-OAHLLOKOSA-N	1	1	359.495	2.362	20	30		FEEDMO
CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000278768464	550819920	/nfs/dbraw/zinc/81/99/20/550819920.db2.gz	LAGBGSPBIJHXTG-GFCCVEGCSA-N	1	1	372.288	2.035	20	30		FEEDMO
CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1	ZINC000278768464	550819921	/nfs/dbraw/zinc/81/99/21/550819921.db2.gz	LAGBGSPBIJHXTG-GFCCVEGCSA-N	1	1	372.288	2.035	20	30		FEEDMO
C#CCOc1cccc(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1	ZINC000278889759	550832672	/nfs/dbraw/zinc/83/26/72/550832672.db2.gz	QEQKEJDDISHISD-MRXNPFEDSA-N	1	1	357.454	2.416	20	30		FEEDMO
COC(=O)[C@]1(C)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1	ZINC000279356275	550881134	/nfs/dbraw/zinc/88/11/34/550881134.db2.gz	GSSTTYVJKOOAOD-LJQANCHMSA-N	1	1	353.426	2.244	20	30		FEEDMO
C[C@]1(O)CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1	ZINC000279877828	550938776	/nfs/dbraw/zinc/93/87/76/550938776.db2.gz	CJSAKBSJIRNPMG-SFHVURJKSA-N	1	1	368.399	2.410	20	30		FEEDMO
C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@]2(CCOC2)O1	ZINC000280333338	550981852	/nfs/dbraw/zinc/98/18/52/550981852.db2.gz	HUOBDUJBMNNMEH-SCLBCKFNSA-N	1	1	363.845	2.420	20	30		FEEDMO
C[C@]1(C(N)=O)CC[N@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000280675344	551020217	/nfs/dbraw/zinc/02/02/17/551020217.db2.gz	GFDYZWGLYDJSNG-SFHVURJKSA-N	1	1	360.483	2.024	20	30		FEEDMO
C[C@]1(C(N)=O)CC[N@@H+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1	ZINC000280675344	551020218	/nfs/dbraw/zinc/02/02/18/551020218.db2.gz	GFDYZWGLYDJSNG-SFHVURJKSA-N	1	1	360.483	2.024	20	30		FEEDMO
CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)C1	ZINC000280721271	551024994	/nfs/dbraw/zinc/02/49/94/551024994.db2.gz	IAVYEFXCZRWCMB-SFHVURJKSA-N	1	1	362.861	2.045	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1	ZINC000280739232	551026924	/nfs/dbraw/zinc/02/69/24/551026924.db2.gz	WRKWBTSKNXQYAP-UHFFFAOYSA-N	1	1	368.437	2.338	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000280981146	551051539	/nfs/dbraw/zinc/05/15/39/551051539.db2.gz	DAXMPDQRMHVQNY-QFBILLFUSA-N	1	1	353.422	2.073	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)Cc2cc(=O)oc3cc(O)c(CC)cc23)C1=O	ZINC000281321482	551084311	/nfs/dbraw/zinc/08/43/11/551084311.db2.gz	LFFMFUSNXPXUKY-INIZCTEOSA-N	1	1	356.422	2.280	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)Cc2cc(=O)oc3cc(O)c(CC)cc23)C1=O	ZINC000281321482	551084313	/nfs/dbraw/zinc/08/43/13/551084313.db2.gz	LFFMFUSNXPXUKY-INIZCTEOSA-N	1	1	356.422	2.280	20	30		FEEDMO
CN(C(=O)[C@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1)c1ccccc1	ZINC000281328785	551085152	/nfs/dbraw/zinc/08/51/52/551085152.db2.gz	YPEDSLVCCACAJJ-KRWDZBQOSA-N	1	1	362.433	2.482	20	30		FEEDMO
CN(C(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1)c1ccccc1	ZINC000281328785	551085153	/nfs/dbraw/zinc/08/51/53/551085153.db2.gz	YPEDSLVCCACAJJ-KRWDZBQOSA-N	1	1	362.433	2.482	20	30		FEEDMO
C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1	ZINC000281489850	551104055	/nfs/dbraw/zinc/10/40/55/551104055.db2.gz	PVVIRKLQKGVLBD-WBVHZDCISA-N	1	1	359.470	2.489	20	30		FEEDMO
C=CCCOCCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1	ZINC000281597667	551118319	/nfs/dbraw/zinc/11/83/19/551118319.db2.gz	ZWPPTADIRVZJGL-UHFFFAOYSA-N	1	1	353.850	2.049	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2	ZINC000281939455	551160187	/nfs/dbraw/zinc/16/01/87/551160187.db2.gz	XETYXTRKQIDRQG-DNVCBOLYSA-N	1	1	371.481	2.448	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2	ZINC000281939455	551160188	/nfs/dbraw/zinc/16/01/88/551160188.db2.gz	XETYXTRKQIDRQG-DNVCBOLYSA-N	1	1	371.481	2.448	20	30		FEEDMO
C=CCN(Cc1ccc(OC)cc1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1	ZINC000281940761	551160553	/nfs/dbraw/zinc/16/05/53/551160553.db2.gz	LFOKJODWMLEMBG-UHFFFAOYSA-N	1	1	374.529	2.419	20	30		FEEDMO
N#CC1CCC(CNC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1	ZINC000282107149	551181191	/nfs/dbraw/zinc/18/11/91/551181191.db2.gz	ZWTRFWRWEGWSTA-LBXVMSDZSA-N	1	1	370.497	2.035	20	30		FEEDMO
C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000282339815	551214182	/nfs/dbraw/zinc/21/41/82/551214182.db2.gz	RLZSOIWNYMYICC-QGZVFWFLSA-N	1	1	371.485	2.499	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1	ZINC000282444283	551229960	/nfs/dbraw/zinc/22/99/60/551229960.db2.gz	JTARKQBTYLPEHP-WIYYLYMNSA-N	1	1	366.465	2.234	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(C(=O)NCC3CCC(C#N)CC3)cc2)CC1	ZINC000282514058	551240383	/nfs/dbraw/zinc/24/03/83/551240383.db2.gz	ZFMMODVNAOJGDV-UHFFFAOYSA-N	1	1	354.498	2.494	20	30		FEEDMO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C[N@H+](C)CCC)C1	ZINC000283478686	551373498	/nfs/dbraw/zinc/37/34/98/551373498.db2.gz	BWJWTTOHGCNIMB-KRWDZBQOSA-N	1	1	374.533	2.258	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)c2cc(C#N)ccn2)[C@H](c2ccccc2)C1	ZINC000283733212	551418681	/nfs/dbraw/zinc/41/86/81/551418681.db2.gz	MBBHZARBEXVDEG-FQEVSTJZSA-N	1	1	363.465	2.062	20	30		FEEDMO
CN1CC[N@H+](CCCNC(=O)c2cc(C#N)ccn2)[C@H](c2ccccc2)C1	ZINC000283733212	551418683	/nfs/dbraw/zinc/41/86/83/551418683.db2.gz	MBBHZARBEXVDEG-FQEVSTJZSA-N	1	1	363.465	2.062	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)c2cc(C#N)ccn2)[C@H](c2ccccc2)C1	ZINC000283733212	551418684	/nfs/dbraw/zinc/41/86/84/551418684.db2.gz	MBBHZARBEXVDEG-FQEVSTJZSA-N	1	1	363.465	2.062	20	30		FEEDMO
Cc1[nH+]ccn1CCCNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C	ZINC000283959759	551457690	/nfs/dbraw/zinc/45/76/90/551457690.db2.gz	HZOFNSBIBZKQRE-UHFFFAOYSA-N	1	1	367.453	2.007	20	30		FEEDMO
CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1	ZINC000283960322	551457828	/nfs/dbraw/zinc/45/78/28/551457828.db2.gz	KYGJNMPMQJCHHD-UHFFFAOYSA-N	1	1	370.497	2.145	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1	ZINC000284804498	551638054	/nfs/dbraw/zinc/63/80/54/551638054.db2.gz	WZIPABWTJXHTEL-QGZVFWFLSA-N	1	1	370.497	2.287	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O	ZINC000284900332	551662429	/nfs/dbraw/zinc/66/24/29/551662429.db2.gz	SZAIPFKBNIHKBZ-GBYFWLHCSA-N	1	1	357.454	2.137	20	30		FEEDMO
CCN1CCN(C[C@H](C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000285535199	551770992	/nfs/dbraw/zinc/77/09/92/551770992.db2.gz	BVMITLQGINOETE-LJQANCHMSA-N	1	1	369.557	2.390	20	30		FEEDMO
COC[C@@](C)(C#N)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000285589342	551779354	/nfs/dbraw/zinc/77/93/54/551779354.db2.gz	HSSKIPZLSVVWPJ-DOTOQJQBSA-N	1	1	351.397	2.189	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)[C@@H]2C1	ZINC000285734632	551802762	/nfs/dbraw/zinc/80/27/62/551802762.db2.gz	GRMBDRRHMPWPJR-OXQOHEQNSA-N	1	1	370.472	2.466	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1	ZINC000285751168	551805022	/nfs/dbraw/zinc/80/50/22/551805022.db2.gz	YVWUWVWYURYWKT-MRXNPFEDSA-N	1	1	374.504	2.365	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1	ZINC000286294253	551870921	/nfs/dbraw/zinc/87/09/21/551870921.db2.gz	CEHZIFIRUSXSQQ-ZIAGYGMSSA-N	1	1	355.360	2.380	20	30		FEEDMO
C=CCOc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C	ZINC000286511147	551894569	/nfs/dbraw/zinc/89/45/69/551894569.db2.gz	BBILSKDMNVFMGM-ALOPSCKCSA-N	1	1	371.481	2.065	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1	ZINC000286631830	551908656	/nfs/dbraw/zinc/90/86/56/551908656.db2.gz	ZKUPREHKJLLGPH-PBHICJAKSA-N	1	1	369.444	2.481	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1	ZINC000287018007	551952236	/nfs/dbraw/zinc/95/22/36/551952236.db2.gz	JNUSAHBCUUPTDI-INIZCTEOSA-N	1	1	361.511	2.277	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000287422694	552002080	/nfs/dbraw/zinc/00/20/80/552002080.db2.gz	QVKJFDDPCQNDGB-IHWFROFDSA-N	1	1	367.493	2.499	20	30		FEEDMO
C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000287721852	552038144	/nfs/dbraw/zinc/03/81/44/552038144.db2.gz	ACJYSCQHHUSOEG-KXBFYZLASA-N	1	1	362.433	2.276	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000288079874	552087134	/nfs/dbraw/zinc/08/71/34/552087134.db2.gz	HGNRYXIYPQZFTQ-HKUYNNGSSA-N	1	1	357.498	2.438	20	30		FEEDMO
C=CCCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C	ZINC000288561929	552175500	/nfs/dbraw/zinc/17/55/00/552175500.db2.gz	JXUCNJSNOVHHGS-SFHVURJKSA-N	1	1	357.498	2.486	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)cc1Cl	ZINC000288658728	552193321	/nfs/dbraw/zinc/19/33/21/552193321.db2.gz	AMUGKXNLGXOFJM-LBPRGKRZSA-N	1	1	350.850	2.387	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)Cc2cc(Cl)ccc2OC)CC1	ZINC000500060771	561565086	/nfs/dbraw/zinc/56/50/86/561565086.db2.gz	RFSOGPOROGNOCU-UHFFFAOYSA-N	1	1	358.891	2.418	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000289532829	552336434	/nfs/dbraw/zinc/33/64/34/552336434.db2.gz	DXGKHCLHNVHLMY-CJNGLKHVSA-N	1	1	367.852	2.233	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)cc(COC)c2)CC1	ZINC000289793403	552379097	/nfs/dbraw/zinc/37/90/97/552379097.db2.gz	MNWLDCOEOYPURV-UHFFFAOYSA-N	1	1	358.891	2.415	20	30		FEEDMO
C=CCCCNC(=O)C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000289813152	552382743	/nfs/dbraw/zinc/38/27/43/552382743.db2.gz	RIKVKOWWGXSAPQ-IBGZPJMESA-N	1	1	357.498	2.439	20	30		FEEDMO
Cc1cc(CNS(=O)(=O)c2ccccc2C#N)cc(N2CCCC2)[nH+]1	ZINC000290071179	552422982	/nfs/dbraw/zinc/42/29/82/552422982.db2.gz	GBXBOLQDFKNTPK-UHFFFAOYSA-N	1	1	356.451	2.340	20	30		FEEDMO
C=CCn1c(-c2ccccn2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C	ZINC000290091824	552426074	/nfs/dbraw/zinc/42/60/74/552426074.db2.gz	DNLIERNCCCCJSX-INIZCTEOSA-N	1	1	368.485	2.216	20	30		FEEDMO
Cn1cc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C(F)F)n1	ZINC000291011202	552576033	/nfs/dbraw/zinc/57/60/33/552576033.db2.gz	FBAHLWGNRKEEIV-OAHLLOKOSA-N	1	1	359.380	2.120	20	30		FEEDMO
COCC[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000291310990	552613403	/nfs/dbraw/zinc/61/34/03/552613403.db2.gz	SWWGZCOYHMAXBH-OAHLLOKOSA-N	1	1	351.834	2.278	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1	ZINC000291755207	552658485	/nfs/dbraw/zinc/65/84/85/552658485.db2.gz	KTROCJXKTAIMTF-LEWJYISDSA-N	1	1	357.498	2.358	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1	ZINC000291755207	552658487	/nfs/dbraw/zinc/65/84/87/552658487.db2.gz	KTROCJXKTAIMTF-LEWJYISDSA-N	1	1	357.498	2.358	20	30		FEEDMO
Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292218034	552705447	/nfs/dbraw/zinc/70/54/47/552705447.db2.gz	OVIVWYPRQUNPCG-LJQANCHMSA-N	1	1	364.449	2.074	20	30		FEEDMO
Cc1ccccc1CCNC(=O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292218034	552705448	/nfs/dbraw/zinc/70/54/48/552705448.db2.gz	OVIVWYPRQUNPCG-LJQANCHMSA-N	1	1	364.449	2.074	20	30		FEEDMO
CC[N@@H+](C[C@H](C#N)CCC#N)C[C@H](O)COc1ccc(CCOC)cc1	ZINC000293031237	552782340	/nfs/dbraw/zinc/78/23/40/552782340.db2.gz	RPIWHWNTKSPDDC-OALUTQOASA-N	1	1	359.470	2.381	20	30		FEEDMO
CC[N@H+](C[C@H](C#N)CCC#N)C[C@H](O)COc1ccc(CCOC)cc1	ZINC000293031237	552782341	/nfs/dbraw/zinc/78/23/41/552782341.db2.gz	RPIWHWNTKSPDDC-OALUTQOASA-N	1	1	359.470	2.381	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1	ZINC000293289304	552807970	/nfs/dbraw/zinc/80/79/70/552807970.db2.gz	GTMBJROQXLSPQT-UHFFFAOYSA-N	1	1	370.453	2.135	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)c(C(F)(F)F)c1	ZINC000293305073	552809738	/nfs/dbraw/zinc/80/97/38/552809738.db2.gz	HTYKTHSJNLZGMO-UHFFFAOYSA-N	1	1	355.360	2.024	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC2CCCC2)cc1	ZINC000293404477	552820024	/nfs/dbraw/zinc/82/00/24/552820024.db2.gz	ORFDRDDBSNIFPL-UHFFFAOYSA-N	1	1	357.454	2.018	20	30		FEEDMO
C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C#N)cc3)C2)C1	ZINC000293453044	552825443	/nfs/dbraw/zinc/82/54/43/552825443.db2.gz	SVXYOZDJJKELHX-NRFANRHFSA-N	1	1	368.481	2.371	20	30		FEEDMO
CC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H](C)CO	ZINC000293501436	552830354	/nfs/dbraw/zinc/83/03/54/552830354.db2.gz	UNBMJKOSSOJYSR-ZDUSSCGKSA-N	1	1	358.442	2.259	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(CO)(c3ccccc3)CC2)CCCCC1	ZINC000293504007	552830482	/nfs/dbraw/zinc/83/04/82/552830482.db2.gz	ZWTOIAVWSPCACV-UHFFFAOYSA-N	1	1	355.482	2.355	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)nc1	ZINC000293734897	552851425	/nfs/dbraw/zinc/85/14/25/552851425.db2.gz	NPWGZCONMBZPKE-MSOLQXFVSA-N	1	1	354.454	2.340	20	30		FEEDMO
C[NH+](C)[C@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccccc1	ZINC000293824080	552859627	/nfs/dbraw/zinc/85/96/27/552859627.db2.gz	VHZQYQVAZLLOTK-MJGOQNOKSA-N	1	1	350.422	2.236	20	30		FEEDMO
CC(C)(C#N)CNC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000501855416	561606658	/nfs/dbraw/zinc/60/66/58/561606658.db2.gz	NYRDFNPLCIPOIX-IBGZPJMESA-N	1	1	369.513	2.138	20	30		FEEDMO
COc1nccnc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000294929347	552945070	/nfs/dbraw/zinc/94/50/70/552945070.db2.gz	UJDQYCKUBHBIOO-UHFFFAOYSA-N	1	1	351.410	2.208	20	30		FEEDMO
N#Cc1cc(Br)ccc1CN1CCC[C@H](c2n[nH]c(=O)o2)C1	ZINC000295333173	552988962	/nfs/dbraw/zinc/98/89/62/552988962.db2.gz	MOSSIPHUIXWGNY-NSHDSACASA-N	1	1	363.215	2.377	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1	ZINC000296264044	553131498	/nfs/dbraw/zinc/13/14/98/553131498.db2.gz	CCTCFOVIAMUMEE-AWEZNQCLSA-N	1	1	373.432	2.499	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1	ZINC000296489922	553168627	/nfs/dbraw/zinc/16/86/27/553168627.db2.gz	NOSSQTHNBCHZAQ-MRXNPFEDSA-N	1	1	360.458	2.314	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1	ZINC000296518151	553172790	/nfs/dbraw/zinc/17/27/90/553172790.db2.gz	ZUUVTJKMDPNART-WMZOPIPTSA-N	1	1	373.476	2.329	20	30		FEEDMO
N#CC[C@@H]1CC[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1	ZINC000296762423	553208414	/nfs/dbraw/zinc/20/84/14/553208414.db2.gz	UZRCBEHFOVYGIB-SNRMKQJTSA-N	1	1	356.470	2.135	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ncc(Br)cc1C#N	ZINC000296805393	553214283	/nfs/dbraw/zinc/21/42/83/553214283.db2.gz	PPKISPKHMNWXRT-GFCCVEGCSA-N	1	1	365.275	2.405	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1	ZINC000297680091	553323783	/nfs/dbraw/zinc/32/37/83/553323783.db2.gz	LNXLXUWNNZGUJX-UHFFFAOYSA-N	1	1	357.498	2.392	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+](C)CCOCCO	ZINC000503237399	561637646	/nfs/dbraw/zinc/63/76/46/561637646.db2.gz	GKKKSWNCCFPOTL-ZDUSSCGKSA-N	1	1	365.499	2.156	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+](C)CCOCCO	ZINC000503237399	561637647	/nfs/dbraw/zinc/63/76/47/561637647.db2.gz	GKKKSWNCCFPOTL-ZDUSSCGKSA-N	1	1	365.499	2.156	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+](C)C[C@@H](O)c1cccc(Br)c1	ZINC000298022654	553372892	/nfs/dbraw/zinc/37/28/92/553372892.db2.gz	BHOUOPUPFOAGIM-OAHLLOKOSA-N	1	1	368.275	2.176	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](C)C[C@@H](O)c1cccc(Br)c1	ZINC000298022654	553372894	/nfs/dbraw/zinc/37/28/94/553372894.db2.gz	BHOUOPUPFOAGIM-OAHLLOKOSA-N	1	1	368.275	2.176	20	30		FEEDMO
C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1	ZINC000298065131	553379488	/nfs/dbraw/zinc/37/94/88/553379488.db2.gz	JBPXPQUHGXQYDS-INIZCTEOSA-N	1	1	369.465	2.346	20	30		FEEDMO
C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)N1CCC(C(=O)OC)CC1	ZINC000298065131	553379489	/nfs/dbraw/zinc/37/94/89/553379489.db2.gz	JBPXPQUHGXQYDS-INIZCTEOSA-N	1	1	369.465	2.346	20	30		FEEDMO
Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)nn1-c1cccc(C#N)c1	ZINC000503419853	561640956	/nfs/dbraw/zinc/64/09/56/561640956.db2.gz	HTFWEHNPIQLDTF-AUUYWEPGSA-N	1	1	351.454	2.465	20	30		FEEDMO
COCC[N@@H+](CCO)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000298296255	553409494	/nfs/dbraw/zinc/40/94/94/553409494.db2.gz	XXQDUVPPOAVWAU-CYBMUJFWSA-N	1	1	365.499	2.014	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1	ZINC000298439213	553424862	/nfs/dbraw/zinc/42/48/62/553424862.db2.gz	RCOAUPAYESUIQF-MRXNPFEDSA-N	1	1	369.490	2.424	20	30		FEEDMO
C[C@H](CNS(=O)(=O)Cc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1	ZINC000298439213	553424863	/nfs/dbraw/zinc/42/48/63/553424863.db2.gz	RCOAUPAYESUIQF-MRXNPFEDSA-N	1	1	369.490	2.424	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000298498622	553432506	/nfs/dbraw/zinc/43/25/06/553432506.db2.gz	MMFVHQMEAIRVPP-SJORKVTESA-N	1	1	357.454	2.469	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCn2c(Br)cnc2C1	ZINC000298628357	553451292	/nfs/dbraw/zinc/45/12/92/553451292.db2.gz	VNVNRMPKFHWJJS-UHFFFAOYSA-N	1	1	374.242	2.362	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCn2c(Br)cnc2C1	ZINC000298628357	553451293	/nfs/dbraw/zinc/45/12/93/553451293.db2.gz	VNVNRMPKFHWJJS-UHFFFAOYSA-N	1	1	374.242	2.362	20	30		FEEDMO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1	ZINC000298732664	553465489	/nfs/dbraw/zinc/46/54/89/553465489.db2.gz	LXLTXSIMAPPNRE-UXHICEINSA-N	1	1	367.497	2.012	20	30		FEEDMO
C[C@@H](C[S@@](C)=O)[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000299064635	553510495	/nfs/dbraw/zinc/51/04/95/553510495.db2.gz	SQEMJKQRWVUDMP-BSNNYGBQSA-N	1	1	353.513	2.136	20	30		FEEDMO
N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO	ZINC000301576475	553662805	/nfs/dbraw/zinc/66/28/05/553662805.db2.gz	YUMQZQGZMKFDHU-KGLIPLIRSA-N	1	1	354.376	2.398	20	30		FEEDMO
CCc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c(C#N)c1CC	ZINC000301615799	553666216	/nfs/dbraw/zinc/66/62/16/553666216.db2.gz	JGWOZMSNPSTTRU-CALCHBBNSA-N	1	1	370.545	2.468	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000301906510	553691003	/nfs/dbraw/zinc/69/10/03/553691003.db2.gz	AETQUFDZXKHSEI-INIZCTEOSA-N	1	1	366.387	2.496	20	30		FEEDMO
Cc1cc(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ncc1C#N	ZINC000603121865	553713153	/nfs/dbraw/zinc/71/31/53/553713153.db2.gz	WIZKOSVHEYNNCF-UHFFFAOYSA-N	1	1	365.437	2.416	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1)C1(C#N)CCCCC1	ZINC000327723250	553791084	/nfs/dbraw/zinc/79/10/84/553791084.db2.gz	FAIQHKFVRPIJNT-MRXNPFEDSA-N	1	1	361.408	2.451	20	30		FEEDMO
CN(C(=O)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1)C1(C#N)CCCCC1	ZINC000327723250	553791085	/nfs/dbraw/zinc/79/10/85/553791085.db2.gz	FAIQHKFVRPIJNT-MRXNPFEDSA-N	1	1	361.408	2.451	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1nccn1-c1ccccc1	ZINC000328753593	553817243	/nfs/dbraw/zinc/81/72/43/553817243.db2.gz	SABMEAZJAWBXJY-OAHLLOKOSA-N	1	1	357.458	2.195	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N[C@H]3CCCNC3=O)c2)CCO1	ZINC000328759401	553817492	/nfs/dbraw/zinc/81/74/92/553817492.db2.gz	WRPJZBYSZRZEKU-PBHICJAKSA-N	1	1	360.458	2.030	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N[C@H]3CCCNC3=O)c2)CCO1	ZINC000328759401	553817497	/nfs/dbraw/zinc/81/74/97/553817497.db2.gz	WRPJZBYSZRZEKU-PBHICJAKSA-N	1	1	360.458	2.030	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(C(=O)CC2CCCCC2)CC1	ZINC000328758356	553817633	/nfs/dbraw/zinc/81/76/33/553817633.db2.gz	VVTFQPVZWCDBCY-QGZVFWFLSA-N	1	1	350.507	2.109	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O	ZINC000328844442	553831398	/nfs/dbraw/zinc/83/13/98/553831398.db2.gz	VDSQNIDRACGQLN-SLBVQIDZSA-N	1	1	362.426	2.254	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](C3CCOCC3)C2)C1	ZINC000328868095	553836104	/nfs/dbraw/zinc/83/61/04/553836104.db2.gz	XFFAXFLTHUFOFH-QZTJIDSGSA-N	1	1	353.507	2.006	20	30		FEEDMO
C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O	ZINC000329196673	553900303	/nfs/dbraw/zinc/90/03/03/553900303.db2.gz	UWCZPRLBVMKPRY-MNOVXSKESA-N	1	1	358.398	2.136	20	30		FEEDMO
C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O	ZINC000329196673	553900305	/nfs/dbraw/zinc/90/03/05/553900305.db2.gz	UWCZPRLBVMKPRY-MNOVXSKESA-N	1	1	358.398	2.136	20	30		FEEDMO
C[C@H](C(=O)N[C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CC[NH+](C)CC1	ZINC000329217483	553904661	/nfs/dbraw/zinc/90/46/61/553904661.db2.gz	QEZILXYQJMLVLD-ZIAGYGMSSA-N	1	1	364.877	2.038	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)O1	ZINC000329220437	553905302	/nfs/dbraw/zinc/90/53/02/553905302.db2.gz	BJDBUVCYXXTKSG-VQIMIIECSA-N	1	1	361.486	2.432	20	30		FEEDMO
CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3n[nH]c4c3CCC4)cc2)CC1	ZINC000329221050	553905465	/nfs/dbraw/zinc/90/54/65/553905465.db2.gz	BTOZFFPIGDRYES-UHFFFAOYSA-N	1	1	367.453	2.199	20	30		FEEDMO
Cc1cc(C)n(-c2ccc(NC(=O)NC[C@H]3CN(C)CCN3C)cc2F)n1	ZINC000329239283	553908797	/nfs/dbraw/zinc/90/87/97/553908797.db2.gz	QFHUUJKZSCMDRN-INIZCTEOSA-N	1	1	374.464	2.200	20	30		FEEDMO
C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@]3(CCCOC3)C2)C1	ZINC000329276953	553915413	/nfs/dbraw/zinc/91/54/13/553915413.db2.gz	LKSPHDPGPATBNY-VQIMIIECSA-N	1	1	353.507	2.292	20	30		FEEDMO
O=C(N[C@@H]1CCc2c[nH]nc2C1)N1CCc2c(ncn2-c2ccccc2)C1	ZINC000329293634	553919035	/nfs/dbraw/zinc/91/90/35/553919035.db2.gz	RSHOULUFHIHPNO-OAHLLOKOSA-N	1	1	362.437	2.425	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C(=O)N1c1ccccc1	ZINC000329302037	553921193	/nfs/dbraw/zinc/92/11/93/553921193.db2.gz	WNQWJTIMDXEQEH-MXSMSXNCSA-N	1	1	356.470	2.120	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)C1	ZINC000329316248	553923920	/nfs/dbraw/zinc/92/39/20/553923920.db2.gz	QNXNJMKKACNFHZ-PKOBYXMFSA-N	1	1	359.470	2.200	20	30		FEEDMO
Cc1nc([C@@H]2CN(C(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)CCO2)no1	ZINC000329318006	553923967	/nfs/dbraw/zinc/92/39/67/553923967.db2.gz	HZIOGMJLWCQDRP-ZFWWWQNUSA-N	1	1	365.478	2.176	20	30		FEEDMO
CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCC[NH+]1CCSCC1	ZINC000329415358	553941724	/nfs/dbraw/zinc/94/17/24/553941724.db2.gz	FHVDIVWGKRLEHW-CYBMUJFWSA-N	1	1	359.561	2.329	20	30		FEEDMO
O=C(NCC(=O)N1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000329427054	553944402	/nfs/dbraw/zinc/94/44/02/553944402.db2.gz	GREIVJSKIZVCFW-YQQQUEKLSA-N	1	1	370.497	2.308	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000506703285	561706474	/nfs/dbraw/zinc/70/64/74/561706474.db2.gz	RXSXFXXBCXRGDS-OXQOHEQNSA-N	1	1	363.502	2.438	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000506703284	561706505	/nfs/dbraw/zinc/70/65/05/561706505.db2.gz	RXSXFXXBCXRGDS-OXJNMPFZSA-N	1	1	363.502	2.438	20	30		FEEDMO
O=C(C[N@@H+]1CCOCC2(CCOCC2)C1)NC[C@H]1Cc2ccccc2O1	ZINC000329500347	553958435	/nfs/dbraw/zinc/95/84/35/553958435.db2.gz	FXMZDROGYYUJRQ-QGZVFWFLSA-N	1	1	360.454	2.076	20	30		FEEDMO
O=C(C[N@H+]1CCOCC2(CCOCC2)C1)NC[C@H]1Cc2ccccc2O1	ZINC000329500347	553958437	/nfs/dbraw/zinc/95/84/37/553958437.db2.gz	FXMZDROGYYUJRQ-QGZVFWFLSA-N	1	1	360.454	2.076	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3nccn3Cc3ccccc3)[C@H]2C1	ZINC000329588623	553972545	/nfs/dbraw/zinc/97/25/45/553972545.db2.gz	YZKKXRYVRYCCAN-MOPGFXCFSA-N	1	1	367.497	2.414	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C1	ZINC000329591433	553973303	/nfs/dbraw/zinc/97/33/03/553973303.db2.gz	ZYFWTHRRMHRUSZ-BRWVUGGUSA-N	1	1	351.491	2.045	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)NCC(=O)N2CCCC2)[C@@H]1c1cccs1	ZINC000329686808	553988756	/nfs/dbraw/zinc/98/87/56/553988756.db2.gz	BFNBJFXSTDERHS-RHSMWYFYSA-N	1	1	364.515	2.257	20	30		FEEDMO
CC(C)c1nc([C@H]2COCCN2C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)no1	ZINC000329711946	553993596	/nfs/dbraw/zinc/99/35/96/553993596.db2.gz	PGZQMMZAWFVDMQ-DZGCQCFKSA-N	1	1	363.462	2.131	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)[C@H]1c1ccccc1	ZINC000329761662	554001281	/nfs/dbraw/zinc/00/12/81/554001281.db2.gz	RSFXGCKGPGOHSH-UHZRXMQZSA-N	1	1	373.497	2.208	20	30		FEEDMO
O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000329770659	554002777	/nfs/dbraw/zinc/00/27/77/554002777.db2.gz	IZEGFCNXISVBBV-BMFZPTHFSA-N	1	1	363.893	2.444	20	30		FEEDMO
C[C@H](NC(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000329770284	554002825	/nfs/dbraw/zinc/00/28/25/554002825.db2.gz	IQKYWPUFPHWGQV-XUWVNRHRSA-N	1	1	371.547	2.061	20	30		FEEDMO
C[C@@H](NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H]1CCOC1	ZINC000329777268	554004159	/nfs/dbraw/zinc/00/41/59/554004159.db2.gz	OWVPIVAJGOBDMR-KYHPRHEASA-N	1	1	353.507	2.147	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1	ZINC000329821371	554012459	/nfs/dbraw/zinc/01/24/59/554012459.db2.gz	PTLSEANZWLBNDU-ZIFCJYIRSA-N	1	1	373.497	2.286	20	30		FEEDMO
Cc1c([C@@H]2[C@H](C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)CC(=O)N2C)cnn1C	ZINC000329884496	554024683	/nfs/dbraw/zinc/02/46/83/554024683.db2.gz	SLQLSYFTMHQBPA-GMBSWORKSA-N	1	1	373.501	2.221	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCO[C@]2(CCO[C@H]2C)C1	ZINC000329892915	554025842	/nfs/dbraw/zinc/02/58/42/554025842.db2.gz	AMRDYEKOIGQCOP-CNMWIUBYSA-N	1	1	353.507	2.147	20	30		FEEDMO
CC(=O)N1CCC[C@H](CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1	ZINC000329961287	554039895	/nfs/dbraw/zinc/03/98/95/554039895.db2.gz	OMQSCLVCPFTLSW-NXHRZFHOSA-N	1	1	364.534	2.402	20	30		FEEDMO
CC(C)c1nnc([C@H]2CN(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)CCO2)o1	ZINC000329987887	554044543	/nfs/dbraw/zinc/04/45/43/554044543.db2.gz	TUAUGDNIELJPHC-DZGCQCFKSA-N	1	1	363.462	2.131	20	30		FEEDMO
CC[C@H](NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)c1nnc2n1CCCCC2	ZINC000330200832	554083716	/nfs/dbraw/zinc/08/37/16/554083716.db2.gz	XAALGJNNICPKPJ-HNAYVOBHSA-N	1	1	360.506	2.397	20	30		FEEDMO
CO[C@]1(C)C[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1(C)C	ZINC000330205593	554085028	/nfs/dbraw/zinc/08/50/28/554085028.db2.gz	CPBNUDCTXQAOOE-URLQWDBASA-N	1	1	353.507	2.289	20	30		FEEDMO
C[C@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)c1nccs1	ZINC000330228962	554089272	/nfs/dbraw/zinc/08/92/72/554089272.db2.gz	PXJDLAAOLUDYGL-KGLIPLIRSA-N	1	1	352.504	2.346	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NCc2nc(C)c(C)s2)C[C@H]1[NH+]1CCOCC1	ZINC000330253166	554093482	/nfs/dbraw/zinc/09/34/82/554093482.db2.gz	ITLARGQQYSKMTA-HUUCEWRRSA-N	1	1	352.504	2.217	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21	ZINC000330272566	554096914	/nfs/dbraw/zinc/09/69/14/554096914.db2.gz	XSLLWWGGBYJVJL-DDBAPUKQSA-N	1	1	351.491	2.043	20	30		FEEDMO
O=C(CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1)N1CCN(c2ccccc2)CC1	ZINC000330271704	554097346	/nfs/dbraw/zinc/09/73/46/554097346.db2.gz	WIGGFXCHAHIYOM-IBGZPJMESA-N	1	1	370.497	2.309	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCOC3(CCOCC3)C2)C[C@H]1C	ZINC000330290624	554100346	/nfs/dbraw/zinc/10/03/46/554100346.db2.gz	CLKHLNBYYQRGAM-ZACQAIPSSA-N	1	1	353.507	2.433	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1	ZINC000330401979	554116748	/nfs/dbraw/zinc/11/67/48/554116748.db2.gz	FOTQPVWHFIIHMU-HUUCEWRRSA-N	1	1	367.515	2.387	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000330489376	554128299	/nfs/dbraw/zinc/12/82/99/554128299.db2.gz	KKKKSUAAVROHPU-ZNMIVQPWSA-N	1	1	367.490	2.483	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2c(C)nn(CCOC)c2C)C[C@H]1C	ZINC000330641991	554149853	/nfs/dbraw/zinc/14/98/53/554149853.db2.gz	DEUFFFIKMKXWSF-CZUORRHYSA-N	1	1	351.495	2.496	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cccc(C(=O)NC)c2C)CC[N@H+]1C[C@H](C)O	ZINC000330664520	554153212	/nfs/dbraw/zinc/15/32/12/554153212.db2.gz	YQGMAUOQMFSARB-DZGCQCFKSA-N	1	1	362.474	2.252	20	30		FEEDMO
CCOc1cc(C(=O)N(C)C)ccc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C	ZINC000330883358	554182939	/nfs/dbraw/zinc/18/29/39/554182939.db2.gz	JTPUPJCJALZPRT-KGLIPLIRSA-N	1	1	362.474	2.357	20	30		FEEDMO
Cc1cc(CCNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc(C)c1O	ZINC000330944942	554192267	/nfs/dbraw/zinc/19/22/67/554192267.db2.gz	FVMHIFLSUPNTPU-INIZCTEOSA-N	1	1	363.502	2.243	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(Cl)c(N)c2Cl)CC1	ZINC000330980418	554196712	/nfs/dbraw/zinc/19/67/12/554196712.db2.gz	VHRSTUYSJKEQLR-UHFFFAOYSA-N	1	1	359.257	2.091	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(S(C)(=O)=O)c2)C[C@H]1C	ZINC000331096595	554212106	/nfs/dbraw/zinc/21/21/06/554212106.db2.gz	AMGUWQPHOAINFQ-UKRRQHHQSA-N	1	1	353.488	2.440	20	30		FEEDMO
C[N@@H+](CCO)C1CCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1	ZINC000331144302	554220933	/nfs/dbraw/zinc/22/09/33/554220933.db2.gz	YNUQWNKGNKSNNV-CHWSQXEVSA-N	1	1	351.413	2.410	20	30		FEEDMO
Cc1nc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c(Br)s1	ZINC000331313709	554246036	/nfs/dbraw/zinc/24/60/36/554246036.db2.gz	CLQHFKNGCMZCIQ-JTQLQIEISA-N	1	1	362.293	2.365	20	30		FEEDMO
CO[C@H](C)c1nc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cs1	ZINC000331222206	554233028	/nfs/dbraw/zinc/23/30/28/554233028.db2.gz	KLCIFIUOZMQHIY-CHWSQXEVSA-N	1	1	370.519	2.042	20	30		FEEDMO
CN(C)C(=O)C1(CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCCC1	ZINC000331319013	554246503	/nfs/dbraw/zinc/24/65/03/554246503.db2.gz	KLWRBPHRRWZLRI-HNNXBMFYSA-N	1	1	352.523	2.259	20	30		FEEDMO
C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000331406974	554259140	/nfs/dbraw/zinc/25/91/40/554259140.db2.gz	ULXFKLDGWZOOSU-DOTOQJQBSA-N	1	1	354.454	2.220	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1	ZINC000331614006	554295229	/nfs/dbraw/zinc/29/52/29/554295229.db2.gz	KKDLTLQVHFYTLB-MNEFBYGVSA-N	1	1	356.470	2.370	20	30		FEEDMO
C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000509439615	561799718	/nfs/dbraw/zinc/79/97/18/561799718.db2.gz	XQEHWOFYQYXJNF-GJZGRUSLSA-N	1	1	367.415	2.198	20	30		FEEDMO
C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+]1CCC(C)(C#N)CC1	ZINC000332062008	554372530	/nfs/dbraw/zinc/37/25/30/554372530.db2.gz	YHQQQDBNKACRHQ-HOTGVXAUSA-N	1	1	357.454	2.299	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1C(F)(F)F	ZINC000332302077	554420790	/nfs/dbraw/zinc/42/07/90/554420790.db2.gz	KWPYXYWMAGZOJY-HUUCEWRRSA-N	1	1	373.400	2.482	20	30		FEEDMO
C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000332465001	554450645	/nfs/dbraw/zinc/45/06/45/554450645.db2.gz	QEOHZVJJHUPKTO-TZMCWYRMSA-N	1	1	360.845	2.235	20	30		FEEDMO
C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C#N)ccc1Cl	ZINC000332465001	554450648	/nfs/dbraw/zinc/45/06/48/554450648.db2.gz	QEOHZVJJHUPKTO-TZMCWYRMSA-N	1	1	360.845	2.235	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)C2)n1	ZINC000332907604	554541022	/nfs/dbraw/zinc/54/10/22/554541022.db2.gz	ONMRMVCKRRHBHW-VQIMIIECSA-N	1	1	367.497	2.245	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000510680747	561843236	/nfs/dbraw/zinc/84/32/36/561843236.db2.gz	GMWBQNUJZZBMDS-OCCSQVGLSA-N	1	1	360.376	2.068	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1	ZINC000510680747	561843237	/nfs/dbraw/zinc/84/32/37/561843237.db2.gz	GMWBQNUJZZBMDS-OCCSQVGLSA-N	1	1	360.376	2.068	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O	ZINC000348582657	554689931	/nfs/dbraw/zinc/68/99/31/554689931.db2.gz	FIMBHIGQDCUEJD-SZMVWBNQSA-N	1	1	357.454	2.020	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N([C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000348626836	554692462	/nfs/dbraw/zinc/69/24/62/554692462.db2.gz	SWPDYTYHOFOLFE-JQHSSLGASA-N	1	1	357.454	2.020	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1)S(C)(=O)=O	ZINC000511142515	561859108	/nfs/dbraw/zinc/85/91/08/561859108.db2.gz	YOIDQYCZYOPTSC-AWEZNQCLSA-N	1	1	355.891	2.315	20	30		FEEDMO
CN(C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1)S(C)(=O)=O	ZINC000511142515	561859109	/nfs/dbraw/zinc/85/91/09/561859109.db2.gz	YOIDQYCZYOPTSC-AWEZNQCLSA-N	1	1	355.891	2.315	20	30		FEEDMO
C[C@H]1CO[C@@H](c2noc(-c3cnn(C)c3C#N)n2)C[N@@H+]1Cc1ccccc1	ZINC000350189804	554765661	/nfs/dbraw/zinc/76/56/61/554765661.db2.gz	MFFOYYDPWAPEFL-SUMWQHHRSA-N	1	1	364.409	2.304	20	30		FEEDMO
C[C@H]1CO[C@@H](c2noc(-c3cnn(C)c3C#N)n2)C[N@H+]1Cc1ccccc1	ZINC000350189804	554765664	/nfs/dbraw/zinc/76/56/64/554765664.db2.gz	MFFOYYDPWAPEFL-SUMWQHHRSA-N	1	1	364.409	2.304	20	30		FEEDMO
CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1	ZINC000360403454	554873784	/nfs/dbraw/zinc/87/37/84/554873784.db2.gz	YBDJRMREDMXXQN-PMACEKPBSA-N	1	1	368.481	2.409	20	30		FEEDMO
COc1ccc2c(c1)[C@@H](C)C[N@H+](CC(=O)N(CCC#N)CCC#N)CC2	ZINC000361190224	554909279	/nfs/dbraw/zinc/90/92/79/554909279.db2.gz	KLZMUFKNJASNAW-INIZCTEOSA-N	1	1	354.454	2.313	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)CC1	ZINC000361802106	554935735	/nfs/dbraw/zinc/93/57/35/554935735.db2.gz	WZZXKSUPLVZUFC-CQSZACIVSA-N	1	1	368.437	2.268	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1	ZINC000362136058	554952160	/nfs/dbraw/zinc/95/21/60/554952160.db2.gz	KBXHURBPGRAVTF-LBPRGKRZSA-N	1	1	360.389	2.158	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1	ZINC000362136058	554952162	/nfs/dbraw/zinc/95/21/62/554952162.db2.gz	KBXHURBPGRAVTF-LBPRGKRZSA-N	1	1	360.389	2.158	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)n1	ZINC000363170258	555044815	/nfs/dbraw/zinc/04/48/15/555044815.db2.gz	FHGLPDIASIVVLW-WDSOQIARSA-N	1	1	369.513	2.419	20	30		FEEDMO
CC(C)NC(=O)C[N@@H+]1CCCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000363260955	555066037	/nfs/dbraw/zinc/06/60/37/555066037.db2.gz	BNDJFPTXAWDRCL-UHFFFAOYSA-N	1	1	351.454	2.143	20	30		FEEDMO
CC(C)NC(=O)C[N@H+]1CCCN(c2c(C#N)cnc3ccccc32)CC1	ZINC000363260955	555066039	/nfs/dbraw/zinc/06/60/39/555066039.db2.gz	BNDJFPTXAWDRCL-UHFFFAOYSA-N	1	1	351.454	2.143	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)[nH]1	ZINC000614688584	555097095	/nfs/dbraw/zinc/09/70/95/555097095.db2.gz	MJNKYEDSBDMOON-LJQANCHMSA-N	1	1	352.442	2.468	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)[nH]1	ZINC000614688584	555097097	/nfs/dbraw/zinc/09/70/97/555097097.db2.gz	MJNKYEDSBDMOON-LJQANCHMSA-N	1	1	352.442	2.468	20	30		FEEDMO
C=CCN(C[C@H](O)COC1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363629737	555150381	/nfs/dbraw/zinc/15/03/81/555150381.db2.gz	FIKCLUSUWCPZEL-SFTDATJTSA-N	1	1	374.525	2.305	20	30		FEEDMO
C=CC[N@@H+](C[C@H](O)COC1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000363629737	555150383	/nfs/dbraw/zinc/15/03/83/555150383.db2.gz	FIKCLUSUWCPZEL-SFTDATJTSA-N	1	1	374.525	2.305	20	30		FEEDMO
C=CC[N@H+](C[C@H](O)COC1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1	ZINC000363629737	555150385	/nfs/dbraw/zinc/15/03/85/555150385.db2.gz	FIKCLUSUWCPZEL-SFTDATJTSA-N	1	1	374.525	2.305	20	30		FEEDMO
CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000363634630	555151212	/nfs/dbraw/zinc/15/12/12/555151212.db2.gz	VVLQNSIEZUEERR-MOPGFXCFSA-N	1	1	354.454	2.362	20	30		FEEDMO
C=CC[C@H](CO)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1	ZINC000363785656	555185921	/nfs/dbraw/zinc/18/59/21/555185921.db2.gz	ZMCYNQRELUSNMG-YQVWRLOYSA-N	1	1	361.486	2.314	20	30		FEEDMO
CC[C@@H]1CN(C(=O)c2cccc(SCC#N)c2)C[C@@H]1[NH+]1CCOCC1	ZINC000364184709	555265465	/nfs/dbraw/zinc/26/54/65/555265465.db2.gz	TWUCJSBTZNRCPQ-QAPCUYQASA-N	1	1	359.495	2.485	20	30		FEEDMO
N#Cc1c(F)ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1Cl	ZINC000364329791	555292424	/nfs/dbraw/zinc/29/24/24/555292424.db2.gz	GHLFRUYHFGLRIJ-AWEZNQCLSA-N	1	1	365.836	2.422	20	30		FEEDMO
N#Cc1c(F)ccc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1Cl	ZINC000364329791	555292426	/nfs/dbraw/zinc/29/24/26/555292426.db2.gz	GHLFRUYHFGLRIJ-AWEZNQCLSA-N	1	1	365.836	2.422	20	30		FEEDMO
C=CCNC(=O)c1ccc(NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)nc1	ZINC000364903894	555432282	/nfs/dbraw/zinc/43/22/82/555432282.db2.gz	ZFRDTKVLMQNFLZ-SFHVURJKSA-N	1	1	365.481	2.717	20	30		FEEDMO
C=CCN(C(=O)c1cncc(OC)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000365094173	555484056	/nfs/dbraw/zinc/48/40/56/555484056.db2.gz	NCPVUYGOJDVVRQ-KRWDZBQOSA-N	1	1	352.438	2.388	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1CCC(=O)Nc1sccc1C#N	ZINC000365129586	555491753	/nfs/dbraw/zinc/49/17/53/555491753.db2.gz	FBOYDNSAXKWLEX-AWEZNQCLSA-N	1	1	362.499	2.133	20	30		FEEDMO
N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1	ZINC000365187259	555505522	/nfs/dbraw/zinc/50/55/22/555505522.db2.gz	RIUDYVSVPWBCQS-CHWSQXEVSA-N	1	1	366.368	2.144	20	30		FEEDMO
Cc1cccc(NC2CCN(C(=O)N=c3ccn(CCC#N)[nH]3)CC2)[nH+]1	ZINC000365658420	555634393	/nfs/dbraw/zinc/63/43/93/555634393.db2.gz	IAFRCVQBCHJBTC-UHFFFAOYSA-N	1	1	353.430	2.609	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NCC[N@@H+]3CCC[C@H](C)C3)C2)n1	ZINC000365751290	555659313	/nfs/dbraw/zinc/65/93/13/555659313.db2.gz	JDYRDCGQVIXOKN-QFBILLFUSA-N	1	1	369.513	2.326	20	30		FEEDMO
CC(C)n1cnnc1[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000365755888	555660402	/nfs/dbraw/zinc/66/04/02/555660402.db2.gz	ZSBNFPGWVGWMHG-GOSISDBHSA-N	1	1	366.469	2.226	20	30		FEEDMO
CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000365755888	555660404	/nfs/dbraw/zinc/66/04/04/555660404.db2.gz	ZSBNFPGWVGWMHG-GOSISDBHSA-N	1	1	366.469	2.226	20	30		FEEDMO
Cc1ncc(C[N@H+]2CC[C@H](NC(=O)c3cc(C#N)cn3C)[C@@H](C)C2)s1	ZINC000365921335	555702010	/nfs/dbraw/zinc/70/20/10/555702010.db2.gz	POWFWMVLVQQJDL-LRDDRELGSA-N	1	1	357.483	2.302	20	30		FEEDMO
CCc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)c(C#N)c1CC	ZINC000366900855	555963603	/nfs/dbraw/zinc/96/36/03/555963603.db2.gz	GBRDFYPUTOITBL-UHFFFAOYSA-N	1	1	370.545	2.468	20	30		FEEDMO
C=CCc1cc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc(OC)c1OC	ZINC000367090462	556001075	/nfs/dbraw/zinc/00/10/75/556001075.db2.gz	ZGYPEGRXLLEECR-ROUUACIJSA-N	1	1	374.481	2.415	20	30		FEEDMO
C=CCc1cc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc(OC)c1OC	ZINC000367090462	556001079	/nfs/dbraw/zinc/00/10/79/556001079.db2.gz	ZGYPEGRXLLEECR-ROUUACIJSA-N	1	1	374.481	2.415	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1	ZINC000367583439	556089451	/nfs/dbraw/zinc/08/94/51/556089451.db2.gz	DEGOAZBEYPIDBL-SWLSCSKDSA-N	1	1	350.381	2.227	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1	ZINC000367583439	556089453	/nfs/dbraw/zinc/08/94/53/556089453.db2.gz	DEGOAZBEYPIDBL-SWLSCSKDSA-N	1	1	350.381	2.227	20	30		FEEDMO
Cn1cc([C@@H]2[C@@H](CNc3cc(N)c([N+](=O)[O-])c(C#N)c3)CCC[N@H+]2C)cn1	ZINC000367732384	556125786	/nfs/dbraw/zinc/12/57/86/556125786.db2.gz	ZIBJGIBSKYDJEE-PXAZEXFGSA-N	1	1	369.429	2.277	20	30		FEEDMO
C#CC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](CC)C2)CCCN1C(=O)OC(C)(C)C	ZINC000368013530	556195072	/nfs/dbraw/zinc/19/50/72/556195072.db2.gz	BLDFEXBEJQXWMJ-JXFKEZNVSA-N	1	1	363.502	2.237	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)C[C@@H]2[C@H]1c1ccccc1	ZINC000368619109	556364528	/nfs/dbraw/zinc/36/45/28/556364528.db2.gz	NNRQKHMNLLMFOL-UWWQBHOKSA-N	1	1	357.435	2.075	20	30		FEEDMO
CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N	ZINC000368664016	556378521	/nfs/dbraw/zinc/37/85/21/556378521.db2.gz	SYGSGPSIMJEJCF-HOTGVXAUSA-N	1	1	360.483	2.424	20	30		FEEDMO
CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1	ZINC000368672128	556381997	/nfs/dbraw/zinc/38/19/97/556381997.db2.gz	YIEFRHCYDUGJRW-MSOLQXFVSA-N	1	1	354.454	2.362	20	30		FEEDMO
CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1	ZINC000368672128	556381999	/nfs/dbraw/zinc/38/19/99/556381999.db2.gz	YIEFRHCYDUGJRW-MSOLQXFVSA-N	1	1	354.454	2.362	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1	ZINC000369384505	556586361	/nfs/dbraw/zinc/58/63/61/556586361.db2.gz	DMWDTFBWVGPWCN-QGZVFWFLSA-N	1	1	354.454	2.221	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)c1	ZINC000369384505	556586363	/nfs/dbraw/zinc/58/63/63/556586363.db2.gz	DMWDTFBWVGPWCN-QGZVFWFLSA-N	1	1	354.454	2.221	20	30		FEEDMO
CC(=O)N1CCCCC[C@H]1C1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000369517206	556617867	/nfs/dbraw/zinc/61/78/67/556617867.db2.gz	MAUCZPMZPVAQSY-FPOVZHCZSA-N	1	1	374.529	2.298	20	30		FEEDMO
C#CCNC(=O)c1ccc(NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)nc1	ZINC000369561388	556631439	/nfs/dbraw/zinc/63/14/39/556631439.db2.gz	PAUPTKKTTRXFGP-RDTXWAMCSA-N	1	1	354.479	2.611	20	30		FEEDMO
CC1(C)C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1	ZINC000369595317	556642401	/nfs/dbraw/zinc/64/24/01/556642401.db2.gz	BZCRKVUZVUPXIE-UWVAXJGDSA-N	1	1	358.486	2.312	20	30		FEEDMO
CC1(C)C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1	ZINC000369595317	556642403	/nfs/dbraw/zinc/64/24/03/556642403.db2.gz	BZCRKVUZVUPXIE-UWVAXJGDSA-N	1	1	358.486	2.312	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1	ZINC000369692404	556670055	/nfs/dbraw/zinc/67/00/55/556670055.db2.gz	JHPOLSLAVVRDJM-CYBMUJFWSA-N	1	1	368.397	2.327	20	30		FEEDMO
C[NH+]1CCN([C@@H]2CCCCN(C(=O)NCC3CCC(C#N)CC3)C2)CC1	ZINC000370248601	556821483	/nfs/dbraw/zinc/82/14/83/556821483.db2.gz	VLKYGBXMGZSKFP-CTWPCTMYSA-N	1	1	361.534	2.128	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO	ZINC000370304294	556834788	/nfs/dbraw/zinc/83/47/88/556834788.db2.gz	XOXAOTTXJAZFQN-RTBURBONSA-N	1	1	373.497	2.382	20	30		FEEDMO
C[C@@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1	ZINC000516856938	562060785	/nfs/dbraw/zinc/06/07/85/562060785.db2.gz	IMBUGGINHLXDAP-XLIONFOSSA-N	1	1	369.513	2.164	20	30		FEEDMO
N#Cc1cccc(OCCC[N@@H+]2CCCN(C(=O)[C@@H]3CCCO3)CC2)c1	ZINC000370564923	556909782	/nfs/dbraw/zinc/90/97/82/556909782.db2.gz	DKFVKSHDJPHNSQ-IBGZPJMESA-N	1	1	357.454	2.040	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@@H]1N1CCN(C)CC1	ZINC000370695706	556942621	/nfs/dbraw/zinc/94/26/21/556942621.db2.gz	CKRJLLVLAFXEOZ-UGKGYDQZSA-N	1	1	369.557	2.494	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC[C@@H]1N1CCN(C)CC1	ZINC000370695706	556942624	/nfs/dbraw/zinc/94/26/24/556942624.db2.gz	CKRJLLVLAFXEOZ-UGKGYDQZSA-N	1	1	369.557	2.494	20	30		FEEDMO
C=CCOc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000370840786	556986445	/nfs/dbraw/zinc/98/64/45/556986445.db2.gz	XBVGNQMVQKODHL-SFHVURJKSA-N	1	1	357.498	2.492	20	30		FEEDMO
C=CCOc1ccccc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000370840786	556986446	/nfs/dbraw/zinc/98/64/46/556986446.db2.gz	XBVGNQMVQKODHL-SFHVURJKSA-N	1	1	357.498	2.492	20	30		FEEDMO
C[NH+](C)[C@H](C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O)c1ccccc1	ZINC000371322440	557145794	/nfs/dbraw/zinc/14/57/94/557145794.db2.gz	FRJNAXVEZANHJN-GTCCEBARSA-N	1	1	374.444	2.161	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000518060057	562103512	/nfs/dbraw/zinc/10/35/12/562103512.db2.gz	LQKISTNFOFYOAT-IFXJQAMLSA-N	1	1	353.422	2.479	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000518060057	562103513	/nfs/dbraw/zinc/10/35/13/562103513.db2.gz	LQKISTNFOFYOAT-IFXJQAMLSA-N	1	1	353.422	2.479	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO	ZINC000371609050	557238834	/nfs/dbraw/zinc/23/88/34/557238834.db2.gz	UGQVQQDIRFXXFH-IKGGRYGDSA-N	1	1	372.469	2.430	20	30		FEEDMO
C[N@@H+](CC#Cc1ccc(F)cc1)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000372184177	557402482	/nfs/dbraw/zinc/40/24/82/557402482.db2.gz	CGPZLIJVIGMQMC-UHFFFAOYSA-N	1	1	357.473	2.196	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1	ZINC000372525795	557493051	/nfs/dbraw/zinc/49/30/51/557493051.db2.gz	YDLVFCFYLQNBPD-QRFRQXIXSA-N	1	1	357.502	2.014	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[N@@H+](CC(C)(C)O)CC1	ZINC000372575531	557510091	/nfs/dbraw/zinc/51/00/91/557510091.db2.gz	YATYNMPENLKLLH-GOSISDBHSA-N	1	1	372.513	2.100	20	30		FEEDMO
C=C[C@@](C)(O)CC(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1	ZINC000519853333	562146610	/nfs/dbraw/zinc/14/66/10/562146610.db2.gz	VXYXMCUKHXPWRH-GOSISDBHSA-N	1	1	351.516	2.361	20	30		FEEDMO
CCCCCNC(=O)C1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1	ZINC000519907897	562147722	/nfs/dbraw/zinc/14/77/22/562147722.db2.gz	OTUYFVBRMMPOAQ-UHFFFAOYSA-N	1	1	370.497	2.193	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@](O)(C2CC2)C1	ZINC000373240174	557656455	/nfs/dbraw/zinc/65/64/55/557656455.db2.gz	CDTOSONFVBHYDP-YWZLYKJASA-N	1	1	357.454	2.177	20	30		FEEDMO
Cc1cn2c(n1)C[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2	ZINC000373309573	557670207	/nfs/dbraw/zinc/67/02/07/557670207.db2.gz	GXAWAQFMORWGTJ-UHFFFAOYSA-N	1	1	355.467	2.458	20	30		FEEDMO
Cc1cn2c(n1)C[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)CC2	ZINC000373309573	557670209	/nfs/dbraw/zinc/67/02/09/557670209.db2.gz	GXAWAQFMORWGTJ-UHFFFAOYSA-N	1	1	355.467	2.458	20	30		FEEDMO
COc1cc(OC)c(C[NH+]2CCC(n3cnc(C#N)n3)CC2)c(OC)c1	ZINC000373464190	557698711	/nfs/dbraw/zinc/69/87/11/557698711.db2.gz	DFKWZIUERHKUJC-UHFFFAOYSA-N	1	1	357.414	2.013	20	30		FEEDMO
CC[C@H]1CN(C(=O)/C=C/c2ccc(OCC#N)cc2)C[C@H]1[NH+]1CCOCC1	ZINC000374162887	557835043	/nfs/dbraw/zinc/83/50/43/557835043.db2.gz	RVDPQKWUZCXEDS-WQHZJRCTSA-N	1	1	369.465	2.171	20	30		FEEDMO
CN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000374242456	557849292	/nfs/dbraw/zinc/84/92/92/557849292.db2.gz	XEWKRPHECZNGRO-FAFZWHIHSA-N	1	1	361.534	2.126	20	30		FEEDMO
CN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000374242456	557849294	/nfs/dbraw/zinc/84/92/94/557849294.db2.gz	XEWKRPHECZNGRO-FAFZWHIHSA-N	1	1	361.534	2.126	20	30		FEEDMO
COc1ccc2c(c1)OCC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C2	ZINC000374775942	557929724	/nfs/dbraw/zinc/92/97/24/557929724.db2.gz	KJYSJVIXVPTXND-KRWDZBQOSA-N	1	1	354.406	2.201	20	30		FEEDMO
COc1ccc2c(c1)OCC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C2	ZINC000374775942	557929726	/nfs/dbraw/zinc/92/97/26/557929726.db2.gz	KJYSJVIXVPTXND-KRWDZBQOSA-N	1	1	354.406	2.201	20	30		FEEDMO
CS(=O)(=O)c1ccc2c(c1)CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC2	ZINC000374783716	557930907	/nfs/dbraw/zinc/93/09/07/557930907.db2.gz	ZXFCRLZLLCVBIO-FQEVSTJZSA-N	1	1	370.474	2.096	20	30		FEEDMO
CS(=O)(=O)c1ccc2c(c1)CC[N@H+](C[C@H](O)c1ccc(C#N)cc1)CC2	ZINC000374783716	557930909	/nfs/dbraw/zinc/93/09/09/557930909.db2.gz	ZXFCRLZLLCVBIO-FQEVSTJZSA-N	1	1	370.474	2.096	20	30		FEEDMO
CC1(c2cc(N3CC[NH+](C[C@H](O)c4ccc(C#N)cc4)CC3)n[nH]2)CC1	ZINC000374811904	557934984	/nfs/dbraw/zinc/93/49/84/557934984.db2.gz	PMKODDNTWHKMLK-KRWDZBQOSA-N	1	1	351.454	2.188	20	30		FEEDMO
C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C1	ZINC000375033579	557967473	/nfs/dbraw/zinc/96/74/73/557967473.db2.gz	WXLARUFPRBGKJC-LJQANCHMSA-N	1	1	352.482	2.094	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCCNC(=O)[C@@H]1CC(C)C	ZINC000521279084	562173453	/nfs/dbraw/zinc/17/34/53/562173453.db2.gz	YQXYARROKKGEGD-OALUTQOASA-N	1	1	360.498	2.391	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1	ZINC000375294939	558005441	/nfs/dbraw/zinc/00/54/41/558005441.db2.gz	ZQKPLUJUYPVNFG-CQSZACIVSA-N	1	1	350.413	2.237	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](n3cncn3)C2)cc1C	ZINC000375335516	558010902	/nfs/dbraw/zinc/01/09/02/558010902.db2.gz	WTQXMKGJXKHWJL-SFHVURJKSA-N	1	1	352.442	2.089	20	30		FEEDMO
Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](n3cncn3)C2)cc1C	ZINC000375335516	558010903	/nfs/dbraw/zinc/01/09/03/558010903.db2.gz	WTQXMKGJXKHWJL-SFHVURJKSA-N	1	1	352.442	2.089	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1	ZINC000375356791	558014653	/nfs/dbraw/zinc/01/46/53/558014653.db2.gz	OWTVLTZSMYYQQR-FQEVSTJZSA-N	1	1	351.535	2.232	20	30		FEEDMO
Cc1ncccc1O[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000375457481	558030629	/nfs/dbraw/zinc/03/06/29/558030629.db2.gz	JZJYHYUUPQCYNB-HKUYNNGSSA-N	1	1	353.422	2.155	20	30		FEEDMO
Cc1ncccc1O[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1	ZINC000375457486	558030695	/nfs/dbraw/zinc/03/06/95/558030695.db2.gz	JZJYHYUUPQCYNB-PKOBYXMFSA-N	1	1	353.422	2.155	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)C1=O	ZINC000375610459	558056638	/nfs/dbraw/zinc/05/66/38/558056638.db2.gz	GHWOHGIJERRIAP-HZMVEIRTSA-N	1	1	363.502	2.399	20	30		FEEDMO
CCN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N(C)[C@@H](C)CC#N	ZINC000375705737	558070337	/nfs/dbraw/zinc/07/03/37/558070337.db2.gz	HNIOYINOPOOPCH-WMZOPIPTSA-N	1	1	364.515	2.062	20	30		FEEDMO
N#Cc1ccc(N2CCC[N@H+](CCCNC(=O)C(F)(F)F)CC2)cc1	ZINC000376807416	558223948	/nfs/dbraw/zinc/22/39/48/558223948.db2.gz	PULPZFGCONMECN-UHFFFAOYSA-N	1	1	354.376	2.139	20	30		FEEDMO
Cc1cc(=NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)[nH]n1CCC#N	ZINC000377578229	558369898	/nfs/dbraw/zinc/36/98/98/558369898.db2.gz	BKELKWNAXHHNNN-FUHWJXTLSA-N	1	1	366.469	2.890	20	30		FEEDMO
Cc1noc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1	ZINC000522445100	562198602	/nfs/dbraw/zinc/19/86/02/562198602.db2.gz	UIQPEVXESDYJTJ-AWEZNQCLSA-N	1	1	368.441	2.228	20	30		FEEDMO
C#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C(=O)NCCOC)C2)cc1	ZINC000377710899	558402875	/nfs/dbraw/zinc/40/28/75/558402875.db2.gz	YHKXVBUIYXOIEY-GOSISDBHSA-N	1	1	366.465	2.147	20	30		FEEDMO
Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNCc1ccc(C#N)s1	ZINC000378014282	558463303	/nfs/dbraw/zinc/46/33/03/558463303.db2.gz	XIPMSZIGGUUQQN-UHFFFAOYSA-N	1	1	358.515	2.093	20	30		FEEDMO
CN1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C[C@H]1C#N	ZINC000378112454	558483887	/nfs/dbraw/zinc/48/38/87/558483887.db2.gz	VIDAPSKOHDVSAF-VQTJNVASSA-N	1	1	369.513	2.138	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c(OC)c1	ZINC000523582869	562215733	/nfs/dbraw/zinc/21/57/33/562215733.db2.gz	KDHVVCFKXAULAG-MOPGFXCFSA-N	1	1	360.498	2.332	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CCN(C3CC3)C2)c(OC)c1	ZINC000523582869	562215734	/nfs/dbraw/zinc/21/57/34/562215734.db2.gz	KDHVVCFKXAULAG-MOPGFXCFSA-N	1	1	360.498	2.332	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)c(OC)c1	ZINC000523582869	562215735	/nfs/dbraw/zinc/21/57/35/562215735.db2.gz	KDHVVCFKXAULAG-MOPGFXCFSA-N	1	1	360.498	2.332	20	30		FEEDMO
Cc1cc(=NC(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)[nH]n1CCC#N	ZINC000378517958	558573648	/nfs/dbraw/zinc/57/36/48/558573648.db2.gz	IPDAJNVUZMDOBE-INIZCTEOSA-N	1	1	370.501	2.833	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1C#N	ZINC000398058320	558626149	/nfs/dbraw/zinc/62/61/49/558626149.db2.gz	BGKJNXOGDPGINS-KBXCAEBGSA-N	1	1	370.478	2.203	20	30		FEEDMO
Cc1ncc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1C#N	ZINC000398058320	558626151	/nfs/dbraw/zinc/62/61/51/558626151.db2.gz	BGKJNXOGDPGINS-KBXCAEBGSA-N	1	1	370.478	2.203	20	30		FEEDMO
N#Cc1ccc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)nc1	ZINC000404208933	558631521	/nfs/dbraw/zinc/63/15/21/558631521.db2.gz	VPDLAJRAQJWTBN-PMACEKPBSA-N	1	1	362.433	2.069	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C[C@H]21	ZINC000408032134	558639956	/nfs/dbraw/zinc/63/99/56/558639956.db2.gz	ZYZPFAZXUKEZNC-UXHICEINSA-N	1	1	365.481	2.393	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1	ZINC000408135709	558650408	/nfs/dbraw/zinc/65/04/08/558650408.db2.gz	ZIMADOALLVCEAH-IAGOWNOFSA-N	1	1	360.502	2.052	20	30		FEEDMO
COC(=O)CC[N@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)n2)[C@@H](C)C1	ZINC000409734526	558717489	/nfs/dbraw/zinc/71/74/89/558717489.db2.gz	WVEQZJQUCDCYAY-NSHDSACASA-N	1	1	356.348	2.046	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1	ZINC000410140038	558741470	/nfs/dbraw/zinc/74/14/70/558741470.db2.gz	OYFOOIPUUYCGED-IRXDYDNUSA-N	1	1	356.536	2.053	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C[C@H]1C	ZINC000525395895	562247289	/nfs/dbraw/zinc/24/72/89/562247289.db2.gz	IKZUKKDIYKAWBV-KDOFPFPSSA-N	1	1	366.469	2.271	20	30		FEEDMO
C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CCc4nn[nH]c4C3)sc2C1	ZINC000411621745	558930744	/nfs/dbraw/zinc/93/07/44/558930744.db2.gz	RHRSUGZBGPKZPJ-NSHDSACASA-N	1	1	370.482	2.250	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)CC(=O)Nc1ccc(N2CCCCC2)nc1	ZINC000411645712	558934959	/nfs/dbraw/zinc/93/49/59/558934959.db2.gz	UFIHANPNLBFIST-UHFFFAOYSA-N	1	1	359.518	2.450	20	30		FEEDMO
CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1	ZINC000525836307	562256844	/nfs/dbraw/zinc/25/68/44/562256844.db2.gz	WLVZAPPBDLWOTL-UHFFFAOYSA-N	1	1	360.433	2.215	20	30		FEEDMO
COC(=O)[C@]1(C)CCC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000412067835	559009286	/nfs/dbraw/zinc/00/92/86/559009286.db2.gz	MGOKVSWRAUXYLP-YLJYHZDGSA-N	1	1	355.438	2.329	20	30		FEEDMO
N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1	ZINC000525990237	562262528	/nfs/dbraw/zinc/26/25/28/562262528.db2.gz	WKJYJMWSACZLGF-INIZCTEOSA-N	1	1	354.454	2.348	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000526056952	562265377	/nfs/dbraw/zinc/26/53/77/562265377.db2.gz	AYDXMBQTLMTTDB-HNNXBMFYSA-N	1	1	369.469	2.223	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1	ZINC000413311909	559097987	/nfs/dbraw/zinc/09/79/87/559097987.db2.gz	JICPUAQHFGASAZ-QUCCMNQESA-N	1	1	358.530	2.357	20	30		FEEDMO
COC(=O)[C@@H]1CN(C(=O)c2sc3ccc(C#N)cc3c2C)CC[N@H+](C)C1	ZINC000413894492	559137760	/nfs/dbraw/zinc/13/77/60/559137760.db2.gz	OLPQDOMONPWYCQ-AWEZNQCLSA-N	1	1	371.462	2.258	20	30		FEEDMO
COC(=O)[C@@H]1CN(C(=O)c2sc3ccc(C#N)cc3c2C)CC[N@@H+](C)C1	ZINC000413894492	559137761	/nfs/dbraw/zinc/13/77/61/559137761.db2.gz	OLPQDOMONPWYCQ-AWEZNQCLSA-N	1	1	371.462	2.258	20	30		FEEDMO
Cn1ncc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1C#N	ZINC000527250534	562282252	/nfs/dbraw/zinc/28/22/52/562282252.db2.gz	MEFJEFMYPXLQOI-HKUYNNGSSA-N	1	1	363.465	2.418	20	30		FEEDMO
COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)NCCc1cccc(C#N)c1	ZINC000418155452	559392221	/nfs/dbraw/zinc/39/22/21/559392221.db2.gz	ZHBAMRXWAITZOL-IBGZPJMESA-N	1	1	364.449	2.465	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)NC1CCC([NH+]2CCNCC2)CC1	ZINC000418665230	559410447	/nfs/dbraw/zinc/41/04/47/559410447.db2.gz	BONOYSKOTMYVOB-UHFFFAOYSA-N	1	1	360.502	2.236	20	30		FEEDMO
Cc1cc(N2CCC(NC(=O)NCc3ccc(C#N)s3)CC2)nc(C)[nH+]1	ZINC000420880168	559509078	/nfs/dbraw/zinc/50/90/78/559509078.db2.gz	CWOQQCADOCDKDQ-UHFFFAOYSA-N	1	1	370.482	2.495	20	30		FEEDMO
CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H](CO)O1	ZINC000420945456	559513398	/nfs/dbraw/zinc/51/33/98/559513398.db2.gz	SVGZTIZDQKEBIP-CQSZACIVSA-N	1	1	351.834	2.012	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C	ZINC000421292469	559536417	/nfs/dbraw/zinc/53/64/17/559536417.db2.gz	BEKPNSDMPUBPMP-CABCVRRESA-N	1	1	374.510	2.429	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1	ZINC000422015689	559560810	/nfs/dbraw/zinc/56/08/10/559560810.db2.gz	HKDFVGWYYAMRCG-FQEVSTJZSA-N	1	1	351.535	2.234	20	30		FEEDMO
C=C[C@@](C)(CCOC)C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1	ZINC000422015689	559560811	/nfs/dbraw/zinc/56/08/11/559560811.db2.gz	HKDFVGWYYAMRCG-FQEVSTJZSA-N	1	1	351.535	2.234	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1	ZINC000422487198	559591265	/nfs/dbraw/zinc/59/12/65/559591265.db2.gz	HXGPLODEAUKWEL-MOPGFXCFSA-N	1	1	357.498	2.138	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000527299982	562284293	/nfs/dbraw/zinc/28/42/93/562284293.db2.gz	PVAIQQQAGRNFEJ-HOTGVXAUSA-N	1	1	370.501	2.135	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1	ZINC000527299982	562284294	/nfs/dbraw/zinc/28/42/94/562284294.db2.gz	PVAIQQQAGRNFEJ-HOTGVXAUSA-N	1	1	370.501	2.135	20	30		FEEDMO
C=CCc1cccc(F)c1OCC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1	ZINC000424104790	559654915	/nfs/dbraw/zinc/65/49/15/559654915.db2.gz	ULTKNGALAOUNIC-KRWDZBQOSA-N	1	1	364.461	2.406	20	30		FEEDMO
COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@H](C#N)C3)C2)cc(OC)c1	ZINC000425608302	559711522	/nfs/dbraw/zinc/71/15/22/559711522.db2.gz	IJLNQTFPDRWHFV-UAGQMJEPSA-N	1	1	372.469	2.270	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@H](C#N)C3)C2)cc(OC)c1	ZINC000425608302	559711523	/nfs/dbraw/zinc/71/15/23/559711523.db2.gz	IJLNQTFPDRWHFV-UAGQMJEPSA-N	1	1	372.469	2.270	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1	ZINC000425797985	559720085	/nfs/dbraw/zinc/72/00/85/559720085.db2.gz	XWVFJBLRRIWPTO-LRDDRELGSA-N	1	1	365.861	2.047	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1	ZINC000425815450	559721070	/nfs/dbraw/zinc/72/10/70/559721070.db2.gz	SMMSACVQRYPQLY-AZUAARDMSA-N	1	1	374.444	2.230	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C	ZINC000425910555	559725082	/nfs/dbraw/zinc/72/50/82/559725082.db2.gz	WNSIXIJMVVPWFB-CRAIPNDOSA-N	1	1	370.497	2.314	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)C2)nc1	ZINC000428792495	559783557	/nfs/dbraw/zinc/78/35/57/559783557.db2.gz	XBMAKMUDVUABQG-SJLPKXTDSA-N	1	1	373.840	2.500	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C1CCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000429545695	559800968	/nfs/dbraw/zinc/80/09/68/559800968.db2.gz	FPCAQFUJKNSHNL-LJQANCHMSA-N	1	1	368.481	2.292	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H](CCCC#N)c1ccccc1	ZINC000431285683	559836925	/nfs/dbraw/zinc/83/69/25/559836925.db2.gz	UVZAXOURYIJWPF-PKOBYXMFSA-N	1	1	357.502	2.357	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)[N@H+]1CCCC[C@H]1C	ZINC000434729781	559908010	/nfs/dbraw/zinc/90/80/10/559908010.db2.gz	ZEPKTUYUEXOHGI-HUUCEWRRSA-N	1	1	373.501	2.432	20	30		FEEDMO
COCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CCOC1	ZINC000434990702	559913865	/nfs/dbraw/zinc/91/38/65/559913865.db2.gz	ISBLDNHTXGGNAW-SFHVURJKSA-N	1	1	355.442	2.096	20	30		FEEDMO
COc1cc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1C#N	ZINC000436250257	559938448	/nfs/dbraw/zinc/93/84/48/559938448.db2.gz	VEZBXHGBARLVKS-UHFFFAOYSA-N	1	1	365.433	2.290	20	30		FEEDMO
N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)c1	ZINC000436462842	559942035	/nfs/dbraw/zinc/94/20/35/559942035.db2.gz	VEJRTUZXJAAEAF-SFHVURJKSA-N	1	1	366.421	2.261	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+](CCO)[C@H]2CCCSC2)cc1Cl	ZINC000439016325	559987252	/nfs/dbraw/zinc/98/72/52/559987252.db2.gz	CRIXOYXQZJLIJQ-AWEZNQCLSA-N	1	1	353.875	2.340	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+](CCO)[C@H]2CCCSC2)cc1Cl	ZINC000439016325	559987253	/nfs/dbraw/zinc/98/72/53/559987253.db2.gz	CRIXOYXQZJLIJQ-AWEZNQCLSA-N	1	1	353.875	2.340	20	30		FEEDMO
N#Cc1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(Cl)c1	ZINC000439441473	559993828	/nfs/dbraw/zinc/99/38/28/559993828.db2.gz	JWWFDXMAJCKRHZ-UHFFFAOYSA-N	1	1	360.889	2.342	20	30		FEEDMO
N#Cc1ccc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(Cl)c1	ZINC000439441473	559993829	/nfs/dbraw/zinc/99/38/29/559993829.db2.gz	JWWFDXMAJCKRHZ-UHFFFAOYSA-N	1	1	360.889	2.342	20	30		FEEDMO
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCC(=O)Nc1cccc(C#N)c1	ZINC000441250367	560027169	/nfs/dbraw/zinc/02/71/69/560027169.db2.gz	QIQXFDWTIHSMKZ-GUDVDZBRSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(F)cc2C#N)C1	ZINC000443112684	560071076	/nfs/dbraw/zinc/07/10/76/560071076.db2.gz	WRBKAGUHSCXJIB-OKILXGFUSA-N	1	1	353.463	2.344	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1	ZINC000444203493	560105379	/nfs/dbraw/zinc/10/53/79/560105379.db2.gz	FUWSGZCFLIAZMF-UHFFFAOYSA-N	1	1	363.893	2.383	20	30		FEEDMO
C[C@@H]1[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCC[N@H+]1C	ZINC000446629702	560148758	/nfs/dbraw/zinc/14/87/58/560148758.db2.gz	VXXUCUGMCMINHH-AGERRDQYSA-N	1	1	371.485	2.425	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000447927570	560173358	/nfs/dbraw/zinc/17/33/58/560173358.db2.gz	BNVMSQZQXLIAFD-MRXNPFEDSA-N	1	1	353.463	2.237	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccc(C#N)n3C)cc2)C[C@H](C)O1	ZINC000448685584	560194209	/nfs/dbraw/zinc/19/42/09/560194209.db2.gz	ACAPMARMXKSKQO-IYBDPMFKSA-N	1	1	366.465	2.436	20	30		FEEDMO
COc1ccc(C[N@H+](CCN2CCOCC2)Cc2ccco2)cc1C#N	ZINC000449763290	560239218	/nfs/dbraw/zinc/23/92/18/560239218.db2.gz	QLRPJNHSSUDYHK-UHFFFAOYSA-N	1	1	355.438	2.494	20	30		FEEDMO
COc1ccc(C[N@@H+](CCN2CCOCC2)Cc2ccco2)cc1C#N	ZINC000449763290	560239219	/nfs/dbraw/zinc/23/92/19/560239219.db2.gz	QLRPJNHSSUDYHK-UHFFFAOYSA-N	1	1	355.438	2.494	20	30		FEEDMO
C[C@@H](CNC(=O)COc1ccc(C#N)c(Br)c1)[N@@H+](C)C1CC1	ZINC000449834059	560241881	/nfs/dbraw/zinc/24/18/81/560241881.db2.gz	IWQLLZLLTOITDT-NSHDSACASA-N	1	1	366.259	2.298	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000450229066	560254677	/nfs/dbraw/zinc/25/46/77/560254677.db2.gz	WEAYQBIMDKFRFP-WCIQWLHISA-N	1	1	363.546	2.373	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)COc1cccc(Br)c1C#N	ZINC000450373624	560260379	/nfs/dbraw/zinc/26/03/79/560260379.db2.gz	CZEBEQYYLVAJSI-VXGBXAGGSA-N	1	1	366.259	2.251	20	30		FEEDMO
CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)Cc1ccc(F)cc1C#N	ZINC000451190565	560292364	/nfs/dbraw/zinc/29/23/64/560292364.db2.gz	LILWTQAUVLCJAC-KRWDZBQOSA-N	1	1	353.463	2.381	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1	ZINC000451214419	560293586	/nfs/dbraw/zinc/29/35/86/560293586.db2.gz	WKJTXVIOSJVEOO-SPYBWZPUSA-N	1	1	350.507	2.043	20	30		FEEDMO
CC(C)[N@@H+]1C[C@H](NS(=O)(=O)c2ccc(CC#N)cc2Cl)[C@@H](C)C1	ZINC000451275901	560297685	/nfs/dbraw/zinc/29/76/85/560297685.db2.gz	YQWNRADHMRLOLE-WFASDCNBSA-N	1	1	355.891	2.413	20	30		FEEDMO
COC[C@]1(C(=O)OC)CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000451338428	560301166	/nfs/dbraw/zinc/30/11/66/560301166.db2.gz	SQFDUMPZKQBYLY-KRWDZBQOSA-N	1	1	371.355	2.448	20	30		FEEDMO
C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc(CC#N)cc3Cl)[C@@H]2C1	ZINC000451382675	560303627	/nfs/dbraw/zinc/30/36/27/560303627.db2.gz	ITABEZXUSLFEGR-DZGCQCFKSA-N	1	1	353.875	2.121	20	30		FEEDMO
C[C@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1	ZINC000451880587	560334083	/nfs/dbraw/zinc/33/40/83/560334083.db2.gz	WZPXEQDVXIVICT-GDBMZVCRSA-N	1	1	371.403	2.114	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@H+](Cc2ccccc2)C1	ZINC000451923346	560337758	/nfs/dbraw/zinc/33/77/58/560337758.db2.gz	HFUUPCUWXBVAOX-HNNXBMFYSA-N	1	1	359.451	2.294	20	30		FEEDMO
C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)o2)CC[N@@H+](Cc2ccccc2)C1	ZINC000451923346	560337759	/nfs/dbraw/zinc/33/77/59/560337759.db2.gz	HFUUPCUWXBVAOX-HNNXBMFYSA-N	1	1	359.451	2.294	20	30		FEEDMO
COc1ccc(N2CC[NH+](CCOc3ccc(C#N)cc3OC)CC2)nc1	ZINC000452054704	560348466	/nfs/dbraw/zinc/34/84/66/560348466.db2.gz	GGOUXIZGTMKKNN-UHFFFAOYSA-N	1	1	368.437	2.171	20	30		FEEDMO
C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](CCOC)[C@H](CC)C1	ZINC000453438655	560386705	/nfs/dbraw/zinc/38/67/05/560386705.db2.gz	KQOROEOKUYCHRQ-SJORKVTESA-N	1	1	363.506	2.253	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1	ZINC000453469868	560387534	/nfs/dbraw/zinc/38/75/34/560387534.db2.gz	YJQXGMBTPBWJOX-INIZCTEOSA-N	1	1	363.506	2.253	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1	ZINC000453469868	560387535	/nfs/dbraw/zinc/38/75/35/560387535.db2.gz	YJQXGMBTPBWJOX-INIZCTEOSA-N	1	1	363.506	2.253	20	30		FEEDMO
CCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1	ZINC000453628040	560391935	/nfs/dbraw/zinc/39/19/35/560391935.db2.gz	WAZBOCKLILJNLF-UHFFFAOYSA-N	1	1	372.469	2.228	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453640079	560392650	/nfs/dbraw/zinc/39/26/50/560392650.db2.gz	GKLLJZQISXWWSF-LBPRGKRZSA-N	1	1	350.850	2.191	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453647262	560393209	/nfs/dbraw/zinc/39/32/09/560393209.db2.gz	RLJKSSDVJLIUTN-INIZCTEOSA-N	1	1	372.469	2.275	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(CC#N)c2)C1	ZINC000453679637	560396116	/nfs/dbraw/zinc/39/61/16/560396116.db2.gz	YOEIHBPETZRQMB-KRWDZBQOSA-N	1	1	356.470	2.175	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000454320961	560439639	/nfs/dbraw/zinc/43/96/39/560439639.db2.gz	IVBQOKFAWFNDIH-AQNXPRMDSA-N	1	1	372.513	2.008	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000454320961	560439640	/nfs/dbraw/zinc/43/96/40/560439640.db2.gz	IVBQOKFAWFNDIH-AQNXPRMDSA-N	1	1	372.513	2.008	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1NC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000454320961	560439641	/nfs/dbraw/zinc/43/96/41/560439641.db2.gz	IVBQOKFAWFNDIH-AQNXPRMDSA-N	1	1	372.513	2.008	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)C1(CNC(=O)N=c2ccn(CCC#N)[nH]2)CCC1	ZINC000454830966	560459957	/nfs/dbraw/zinc/45/99/57/560459957.db2.gz	ORBNCCVAHYIROR-UHFFFAOYSA-N	1	1	366.469	2.973	20	30		FEEDMO
Cn1cc[nH+]c1N1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1	ZINC000455990398	560503647	/nfs/dbraw/zinc/50/36/47/560503647.db2.gz	SFUARCOKFSOQOI-UHFFFAOYSA-N	1	1	351.454	2.209	20	30		FEEDMO
C[N@@H+](CCCO)C1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1	ZINC000456003009	560504048	/nfs/dbraw/zinc/50/40/48/560504048.db2.gz	OIOKBEZZXQMTIM-UHFFFAOYSA-N	1	1	357.498	2.432	20	30		FEEDMO
Cc1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ncc1C#N	ZINC000457394032	560564995	/nfs/dbraw/zinc/56/49/95/560564995.db2.gz	SHRVQUBJGSHQPZ-UHFFFAOYSA-N	1	1	350.422	2.024	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC	ZINC000458734779	560644584	/nfs/dbraw/zinc/64/45/84/560644584.db2.gz	MTTXLPWWHMCUPO-QRXAFDDPSA-N	1	1	365.518	2.251	20	30		FEEDMO
Cc1nsc(NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)c1C#N	ZINC000459549642	560693571	/nfs/dbraw/zinc/69/35/71/560693571.db2.gz	FQOYMIZEMYHCKL-CYBMUJFWSA-N	1	1	351.476	2.192	20	30		FEEDMO
CCNC(=O)C(C)(C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000459601180	560697091	/nfs/dbraw/zinc/69/70/91/560697091.db2.gz	WSWOFDYPAMTETO-ZDUSSCGKSA-N	1	1	362.499	2.381	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1C#N	ZINC000461232605	560764710	/nfs/dbraw/zinc/76/47/10/560764710.db2.gz	KEWAVWCAIPUVOL-OLZOCXBDSA-N	1	1	374.510	2.080	20	30		FEEDMO
CSc1nc(C2CC2)cc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1C#N	ZINC000461232605	560764711	/nfs/dbraw/zinc/76/47/11/560764711.db2.gz	KEWAVWCAIPUVOL-OLZOCXBDSA-N	1	1	374.510	2.080	20	30		FEEDMO
CCC[N@@H+](CC)C[C@H](C)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000461646229	560778804	/nfs/dbraw/zinc/77/88/04/560778804.db2.gz	KPNBHGQHVSLOMW-AWEZNQCLSA-N	1	1	370.501	2.387	20	30		FEEDMO
COc1cc(C[N@H+]2C[C@H](O)C[C@@H]2CO)ccc1OCc1cccc(C#N)c1	ZINC000462339191	560806814	/nfs/dbraw/zinc/80/68/14/560806814.db2.gz	XXYOPTPNOQGARX-RTBURBONSA-N	1	1	368.433	2.073	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C	ZINC000463672193	560820897	/nfs/dbraw/zinc/82/08/97/560820897.db2.gz	IFVPTLMCAZGIMT-KBPBESRZSA-N	1	1	351.472	2.108	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000467022146	560901813	/nfs/dbraw/zinc/90/18/13/560901813.db2.gz	HCFSLQYJDLFONU-VQIMIIECSA-N	1	1	368.481	2.312	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1	ZINC000467059688	560902591	/nfs/dbraw/zinc/90/25/91/560902591.db2.gz	VNSPNBDZNUNWOD-GUYCJALGSA-N	1	1	354.454	2.025	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000467313835	560908371	/nfs/dbraw/zinc/90/83/71/560908371.db2.gz	HJYVCFRZFJCBSV-IYBDPMFKSA-N	1	1	359.470	2.269	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000467313835	560908372	/nfs/dbraw/zinc/90/83/72/560908372.db2.gz	HJYVCFRZFJCBSV-IYBDPMFKSA-N	1	1	359.470	2.269	20	30		FEEDMO
C=CCOc1cc(OC)ccc1C(=O)N1CCC([N@@H+](C)CCCO)CC1	ZINC000468014034	560921103	/nfs/dbraw/zinc/92/11/03/560921103.db2.gz	NEAAGOREDPZYEI-UHFFFAOYSA-N	1	1	362.470	2.179	20	30		FEEDMO
COc1ccnc(CC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000469445004	560955670	/nfs/dbraw/zinc/95/56/70/560955670.db2.gz	VDFQYFBOEGRFCY-UHFFFAOYSA-N	1	1	364.449	2.239	20	30		FEEDMO
CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)C(=O)NC1(C#N)CCC1	ZINC000469598809	560959216	/nfs/dbraw/zinc/95/92/16/560959216.db2.gz	MNWIJOGAMIXGSC-HNNXBMFYSA-N	1	1	356.470	2.161	20	30		FEEDMO
COC(=O)[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H]1C	ZINC000469997540	560971063	/nfs/dbraw/zinc/97/10/63/560971063.db2.gz	AJAYBFOWHDPDMB-BBRMVZONSA-N	1	1	363.845	2.470	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@H]1C	ZINC000469997540	560971064	/nfs/dbraw/zinc/97/10/64/560971064.db2.gz	AJAYBFOWHDPDMB-BBRMVZONSA-N	1	1	363.845	2.470	20	30		FEEDMO
CCN(C[C@@H]1CC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1)CC(F)(F)F	ZINC000470367729	560979622	/nfs/dbraw/zinc/97/96/22/560979622.db2.gz	SGQSDCYZBVCPDX-GJZGRUSLSA-N	1	1	362.440	2.201	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N3CC[N@H+](C)CC[C@H]3C)C2)n1	ZINC000471953474	561015007	/nfs/dbraw/zinc/01/50/07/561015007.db2.gz	QLEADHPNSNRUTK-AEFFLSMTSA-N	1	1	355.486	2.031	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)C[C@H](CC#N)c1ccccc1)N1CC[NH+](C)CC1	ZINC000475940576	561108210	/nfs/dbraw/zinc/10/82/10/561108210.db2.gz	TWNOKQALLFWYIL-VQTJNVASSA-N	1	1	356.514	2.462	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)N1CC[NH+](C)CC1	ZINC000475940577	561108245	/nfs/dbraw/zinc/10/82/45/561108245.db2.gz	TWNOKQALLFWYIL-WOJBJXKFSA-N	1	1	356.514	2.462	20	30		FEEDMO
N#CC1(C[C@@H](O)C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)CC1	ZINC000528353694	562324401	/nfs/dbraw/zinc/32/44/01/562324401.db2.gz	URMZEDBTFMOMJL-RTBURBONSA-N	1	1	353.466	2.090	20	30		FEEDMO
N#CC1(C[C@@H](O)C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)CC1	ZINC000528353694	562324402	/nfs/dbraw/zinc/32/44/02/562324402.db2.gz	URMZEDBTFMOMJL-RTBURBONSA-N	1	1	353.466	2.090	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000528424272	562328557	/nfs/dbraw/zinc/32/85/57/562328557.db2.gz	LMOZKXPQZOUHCH-MISYRCLQSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000528424272	562328558	/nfs/dbraw/zinc/32/85/58/562328558.db2.gz	LMOZKXPQZOUHCH-MISYRCLQSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1	ZINC000528424272	562328559	/nfs/dbraw/zinc/32/85/59/562328559.db2.gz	LMOZKXPQZOUHCH-MISYRCLQSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1	ZINC000528424272	562328560	/nfs/dbraw/zinc/32/85/60/562328560.db2.gz	LMOZKXPQZOUHCH-MISYRCLQSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000528424272	562328561	/nfs/dbraw/zinc/32/85/61/562328561.db2.gz	LMOZKXPQZOUHCH-MISYRCLQSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000528424272	562328562	/nfs/dbraw/zinc/32/85/62/562328562.db2.gz	LMOZKXPQZOUHCH-MISYRCLQSA-N	1	1	355.482	2.247	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1	ZINC000528435102	562329119	/nfs/dbraw/zinc/32/91/19/562329119.db2.gz	ZADFPKRWTTWPEF-IRXDYDNUSA-N	1	1	367.453	2.173	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1	ZINC000528435102	562329121	/nfs/dbraw/zinc/32/91/21/562329121.db2.gz	ZADFPKRWTTWPEF-IRXDYDNUSA-N	1	1	367.453	2.173	20	30		FEEDMO
CC(C)[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1	ZINC000528488875	562331965	/nfs/dbraw/zinc/33/19/65/562331965.db2.gz	KIYOZARICIRPAN-GOSISDBHSA-N	1	1	361.511	2.462	20	30		FEEDMO
CC(C)[C@H]1CN(S(=O)(=O)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1	ZINC000528488875	562331966	/nfs/dbraw/zinc/33/19/66/562331966.db2.gz	KIYOZARICIRPAN-GOSISDBHSA-N	1	1	361.511	2.462	20	30		FEEDMO
CO[C@H]1C[C@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C12CCC2	ZINC000528515466	562333455	/nfs/dbraw/zinc/33/34/55/562333455.db2.gz	AAUDULZDNMXRNK-ROUUACIJSA-N	1	1	352.434	2.175	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1C[C@@H](O)COc1ccccc1C#N	ZINC000528513877	562333497	/nfs/dbraw/zinc/33/34/97/562333497.db2.gz	WLXKLYCZTGPUMS-SOLBZPMBSA-N	1	1	373.497	2.265	20	30		FEEDMO
C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1C[C@@H](O)COc1ccccc1C#N	ZINC000528513877	562333498	/nfs/dbraw/zinc/33/34/98/562333498.db2.gz	WLXKLYCZTGPUMS-SOLBZPMBSA-N	1	1	373.497	2.265	20	30		FEEDMO
Cn1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(-c2ccc(C#N)cc2)n1	ZINC000528777383	562347135	/nfs/dbraw/zinc/34/71/35/562347135.db2.gz	BAZLTGUZJRKXJR-MSOLQXFVSA-N	1	1	370.478	2.110	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(-c2ccc(C#N)cc2)n1	ZINC000528777383	562347136	/nfs/dbraw/zinc/34/71/36/562347136.db2.gz	BAZLTGUZJRKXJR-MSOLQXFVSA-N	1	1	370.478	2.110	20	30		FEEDMO
COCc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1C#N	ZINC000529208953	562364898	/nfs/dbraw/zinc/36/48/98/562364898.db2.gz	ATALRWOEEHYCGP-CQSZACIVSA-N	1	1	360.458	2.014	20	30		FEEDMO
CC1CC(C#N)(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)C1	ZINC000531808006	562457288	/nfs/dbraw/zinc/45/72/88/562457288.db2.gz	HOEJJUUSACGCAV-FXUPRZHBSA-N	1	1	354.454	2.262	20	30		FEEDMO
CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000533289958	562503996	/nfs/dbraw/zinc/50/39/96/562503996.db2.gz	HSWNPGCJBYHECG-YJBOKZPZSA-N	1	1	373.501	2.404	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1	ZINC000533441422	562508974	/nfs/dbraw/zinc/50/89/74/562508974.db2.gz	BNNOGWOBPAQYCF-UISNHOIMSA-N	1	1	374.529	2.393	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1	ZINC000533441422	562508975	/nfs/dbraw/zinc/50/89/75/562508975.db2.gz	BNNOGWOBPAQYCF-UISNHOIMSA-N	1	1	374.529	2.393	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1	ZINC000533451826	562509309	/nfs/dbraw/zinc/50/93/09/562509309.db2.gz	FXVWCZIKYHIUQC-WMLDXEAASA-N	1	1	363.458	2.335	20	30		FEEDMO
C[C@@H]1C[C@H](CCNC(=O)N2CCO[C@@H](C#N)C2)C[N@H+]1Cc1ccccc1	ZINC000533578396	562513743	/nfs/dbraw/zinc/51/37/43/562513743.db2.gz	ADFLEHFEMGHPHP-NEWSRXKRSA-N	1	1	356.470	2.221	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000534862529	562544235	/nfs/dbraw/zinc/54/42/35/562544235.db2.gz	OHCPOOOLOHUZMJ-YJBOKZPZSA-N	1	1	372.444	2.158	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@H](N2CCCC2=O)C1	ZINC000534862529	562544236	/nfs/dbraw/zinc/54/42/36/562544236.db2.gz	OHCPOOOLOHUZMJ-YJBOKZPZSA-N	1	1	372.444	2.158	20	30		FEEDMO
COc1cc(C#N)ccc1OCC[NH+]1CCN(c2cnccc2C)CC1	ZINC000534978583	562546615	/nfs/dbraw/zinc/54/66/15/562546615.db2.gz	GQGIETJECSBSAF-UHFFFAOYSA-N	1	1	352.438	2.471	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CCN3C(=O)CC[C@@H]3C2)sc2c1CCCC2	ZINC000535033967	562548781	/nfs/dbraw/zinc/54/87/81/562548781.db2.gz	HEDYHLGYMUAQQP-CYBMUJFWSA-N	1	1	372.494	2.134	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCN3C(=O)CC[C@@H]3C2)sc2c1CCCC2	ZINC000535033967	562548782	/nfs/dbraw/zinc/54/87/82/562548782.db2.gz	HEDYHLGYMUAQQP-CYBMUJFWSA-N	1	1	372.494	2.134	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(Cc3cnc(N4CCCC4)nc3)CC2)cc1	ZINC000535781655	562567845	/nfs/dbraw/zinc/56/78/45/562567845.db2.gz	QYJYFJSGPAPRMO-UHFFFAOYSA-N	1	1	362.481	2.266	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1	ZINC000541951505	562624199	/nfs/dbraw/zinc/62/41/99/562624199.db2.gz	GIFHFFXXACVKGF-ZBFHGGJFSA-N	1	1	357.376	2.383	20	30		FEEDMO
N#CCC1CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1	ZINC000541970034	562624729	/nfs/dbraw/zinc/62/47/29/562624729.db2.gz	MLFJYSMNKQSYHS-GOSISDBHSA-N	1	1	369.469	2.294	20	30		FEEDMO
N#CCC1CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1	ZINC000541970034	562624730	/nfs/dbraw/zinc/62/47/30/562624730.db2.gz	MLFJYSMNKQSYHS-GOSISDBHSA-N	1	1	369.469	2.294	20	30		FEEDMO
C=C(C)C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)C(=O)OC	ZINC000601781794	567839946	/nfs/dbraw/zinc/83/99/46/567839946.db2.gz	LQSBPSSICAXJCK-SFHVURJKSA-N	1	1	355.438	2.393	20	30		FEEDMO
C=C(C)C[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)C(=O)OC	ZINC000601781794	567839947	/nfs/dbraw/zinc/83/99/47/567839947.db2.gz	LQSBPSSICAXJCK-SFHVURJKSA-N	1	1	355.438	2.393	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCN(CCC#N)CC2)cc1	ZINC000602267006	567961582	/nfs/dbraw/zinc/96/15/82/567961582.db2.gz	DKQPTCPPJBOLFF-INIZCTEOSA-N	1	1	366.469	2.483	20	30		FEEDMO
C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1	ZINC000602557806	567991356	/nfs/dbraw/zinc/99/13/56/567991356.db2.gz	JGANRLKZLFIOJJ-WIYYLYMNSA-N	1	1	357.498	2.312	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CCC[C@@H](n2ccnn2)CC1)c1ccccc1	ZINC000602889439	568006800	/nfs/dbraw/zinc/00/68/00/568006800.db2.gz	RILKKYOWNUPKHX-GOSISDBHSA-N	1	1	352.442	2.252	20	30		FEEDMO
C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)C[C@H](C)N1CC#N	ZINC000603087987	568059357	/nfs/dbraw/zinc/05/93/57/568059357.db2.gz	CFNDHGFIIFTBOA-BYNSBNAKSA-N	1	1	374.451	2.340	20	30		FEEDMO
CC1(C)[C@H](NC(=O)c2cc3ccccc3n2CC#N)C[C@H]1[NH+]1CCOCC1	ZINC000603115934	568063455	/nfs/dbraw/zinc/06/34/55/568063455.db2.gz	LOSGKMIQTZJCGO-RTBURBONSA-N	1	1	366.465	2.394	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)Cn2cc(C[NH+]3CCCC3)nn2)c1C	ZINC000603207824	568073785	/nfs/dbraw/zinc/07/37/85/568073785.db2.gz	XACKEJATPYACAD-UHFFFAOYSA-N	1	1	366.469	2.438	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000603554265	568116432	/nfs/dbraw/zinc/11/64/32/568116432.db2.gz	VURYPQFCVDUMFF-YCRPNKLZSA-N	1	1	370.497	2.454	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1	ZINC000603554265	568116433	/nfs/dbraw/zinc/11/64/33/568116433.db2.gz	VURYPQFCVDUMFF-YCRPNKLZSA-N	1	1	370.497	2.454	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C	ZINC000637185023	568533974	/nfs/dbraw/zinc/53/39/74/568533974.db2.gz	DUQZFCZOOSPAJN-HKUYNNGSSA-N	1	1	355.482	2.071	20	30		FEEDMO
C[C@@H](O)c1ncc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1	ZINC000809636494	674502083	/nfs/dbraw/zinc/50/20/83/674502083.db2.gz	BJMYXKMFYWSJMI-WBMJQRKESA-N	1	1	356.451	2.353	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CN(C(=O)OC(C)(C)C)C1	ZINC000810072586	674529656	/nfs/dbraw/zinc/52/96/56/674529656.db2.gz	ILYXFQQEACIZCL-UHFFFAOYSA-N	1	1	364.471	2.499	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)o1	ZINC000826384612	608604328	/nfs/dbraw/zinc/60/43/28/608604328.db2.gz	CHAXVWPTYMFFJH-UHFFFAOYSA-N	1	1	350.382	2.375	20	30		FEEDMO
Cc1nc(-c2nn[nH]n2)c(N=NC(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1	ZINC000823962293	609515841	/nfs/dbraw/zinc/51/58/41/609515841.db2.gz	IWIYVPXDPRVAJF-OAHLLOKOSA-N	1	1	366.429	2.473	20	30		FEEDMO
Cc1nc(-c2nn[nH]n2)c(N=NC(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1	ZINC000823962293	609515842	/nfs/dbraw/zinc/51/58/42/609515842.db2.gz	IWIYVPXDPRVAJF-OAHLLOKOSA-N	1	1	366.429	2.473	20	30		FEEDMO
Cc1ccnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1-c1nn[nH]n1	ZINC000826310852	609527575	/nfs/dbraw/zinc/52/75/75/609527575.db2.gz	KLUZNOJETZBWIM-UHFFFAOYSA-N	1	1	374.452	2.154	20	30		FEEDMO
C#C[C@H]([NH2+]C1CCN(CCN2CCOCC2)CC1)c1ccc(Cl)cc1	ZINC000811516315	674610848	/nfs/dbraw/zinc/61/08/48/674610848.db2.gz	KOQUARCOVVUENI-FQEVSTJZSA-N	1	1	361.917	2.401	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C	ZINC000814134080	674821304	/nfs/dbraw/zinc/82/13/04/674821304.db2.gz	ZYOMUBJJFCFSCU-CVEARBPZSA-N	1	1	351.491	2.284	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C	ZINC000814134080	674821308	/nfs/dbraw/zinc/82/13/08/674821308.db2.gz	ZYOMUBJJFCFSCU-CVEARBPZSA-N	1	1	351.491	2.284	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CCN1c1snc(C)c1C#N	ZINC001048938234	675019138	/nfs/dbraw/zinc/01/91/38/675019138.db2.gz	MRLAWTJDOHRLEP-XHSDSOJGSA-N	1	1	361.515	2.281	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@H]3C2)s1	ZINC001049074425	675022624	/nfs/dbraw/zinc/02/26/24/675022624.db2.gz	XEOQUALVHCXOJQ-FOOXYVKASA-N	1	1	357.479	2.077	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](CCCOc2ccc(Cl)cc2)CC1	ZINC000053423314	670323529	/nfs/dbraw/zinc/32/35/29/670323529.db2.gz	TZUOZIZSVSSPRO-UHFFFAOYSA-N	1	1	351.878	2.029	20	30		FEEDMO
COc1ccc(C(N)=[NH+]OCCCS(=O)(=O)c2ccc(F)cc2)cc1	ZINC000063455790	670407105	/nfs/dbraw/zinc/40/71/05/670407105.db2.gz	STYWHHFPQROAMN-UHFFFAOYSA-N	1	1	366.414	2.335	20	30		FEEDMO
C[N@H+](Cc1cccnc1)C[C@@H]1CCN(S(=O)(=O)CCC(C)(C)C#N)C1	ZINC000569532175	670573928	/nfs/dbraw/zinc/57/39/28/670573928.db2.gz	RGHWVKLYDSLXQL-KRWDZBQOSA-N	1	1	364.515	2.105	20	30		FEEDMO
C=CCn1c(-c2cnccn2)nn(CN(C)C[C@H]2CCC[N@H+]2C)c1=S	ZINC000817374718	675127051	/nfs/dbraw/zinc/12/70/51/675127051.db2.gz	UZRUVGIREUCYCG-CQSZACIVSA-N	1	1	359.503	2.041	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000570367157	670703467	/nfs/dbraw/zinc/70/34/67/670703467.db2.gz	NDTSSDJOXZHQPS-RHSMWYFYSA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000570367157	670703472	/nfs/dbraw/zinc/70/34/72/670703472.db2.gz	NDTSSDJOXZHQPS-RHSMWYFYSA-N	1	1	356.451	2.067	20	30		FEEDMO
N#CCC[NH2+][C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	ZINC000565653195	675140462	/nfs/dbraw/zinc/14/04/62/675140462.db2.gz	CTEAJTIOJRBIEW-ZDUSSCGKSA-N	1	1	372.288	2.105	20	30		FEEDMO
COC(=O)[C@@H](O)C1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000574007223	671191625	/nfs/dbraw/zinc/19/16/25/671191625.db2.gz	DNBVTFNSVDYQPJ-HNNXBMFYSA-N	1	1	356.344	2.323	20	30		FEEDMO
C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(Br)c2C#N)CC[N@H+]1C	ZINC000578460576	671667107	/nfs/dbraw/zinc/66/71/07/671667107.db2.gz	SKXGGJLOCKDQNY-GHMZBOCLSA-N	1	1	372.288	2.082	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1cc(C#N)ccc1Br	ZINC000578975721	671702644	/nfs/dbraw/zinc/70/26/44/671702644.db2.gz	QQHQEHQKHNGDSL-UHFFFAOYSA-N	1	1	373.258	2.562	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1	ZINC000579292234	671725064	/nfs/dbraw/zinc/72/50/64/671725064.db2.gz	BYYMCEGEMNNGNV-KBPBESRZSA-N	1	1	366.487	2.223	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1CCN(c2[nH]cc[nH+]2)CC1	ZINC000579665755	671751308	/nfs/dbraw/zinc/75/13/08/671751308.db2.gz	FAYZOGBXHMCWML-UHFFFAOYSA-N	1	1	357.483	2.449	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1	ZINC000581175024	671870160	/nfs/dbraw/zinc/87/01/60/671870160.db2.gz	WLEKYKOLNQVTAR-WBMJQRKESA-N	1	1	363.849	2.181	20	30		FEEDMO
C[N@@H+]1CCO[C@H](CSCC(=O)Nc2ccccc2SCC#N)C1	ZINC000582300409	671987597	/nfs/dbraw/zinc/98/75/97/671987597.db2.gz	DJBJDKGIAKLDLI-ZDUSSCGKSA-N	1	1	351.497	2.305	20	30		FEEDMO
C[N@H+]1CCO[C@H](CSCC(=O)Nc2ccccc2SCC#N)C1	ZINC000582300409	671987600	/nfs/dbraw/zinc/98/76/00/671987600.db2.gz	DJBJDKGIAKLDLI-ZDUSSCGKSA-N	1	1	351.497	2.305	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)OC(C)(C)C	ZINC000125198937	672008251	/nfs/dbraw/zinc/00/82/51/672008251.db2.gz	VEXCHHGRZIBKND-KSSFIOAISA-N	1	1	354.495	2.276	20	30		FEEDMO
Cc1cc(C#N)ccc1C[N@@H+](C)CCOc1ccc(S(N)(=O)=O)cc1	ZINC000590120429	672560943	/nfs/dbraw/zinc/56/09/43/672560943.db2.gz	ALLHXXFFCYVEHY-UHFFFAOYSA-N	1	1	359.451	2.025	20	30		FEEDMO
CC[C@H]1CN(c2ncc(Br)cc2C#N)C[C@H]1[NH+]1CCOCC1	ZINC000590694772	672602944	/nfs/dbraw/zinc/60/29/44/672602944.db2.gz	SWYJTDCRGXRSNB-SWLSCSKDSA-N	1	1	365.275	2.263	20	30		FEEDMO
N#CC[C@]1(O)CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1	ZINC000591938708	672723944	/nfs/dbraw/zinc/72/39/44/672723944.db2.gz	KGLAIFFTKIHHNG-YJBOKZPZSA-N	1	1	362.499	2.020	20	30		FEEDMO
C=C(Br)CNC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C	ZINC000247128566	672846967	/nfs/dbraw/zinc/84/69/67/672846967.db2.gz	GYMMZULVWUOCPZ-JSGCOSHPSA-N	1	1	362.312	2.331	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1	ZINC000593157206	672884339	/nfs/dbraw/zinc/88/43/39/672884339.db2.gz	HVGPULNFRGRMEF-DZGCQCFKSA-N	1	1	360.483	2.364	20	30		FEEDMO
C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1	ZINC000593157206	672884342	/nfs/dbraw/zinc/88/43/42/672884342.db2.gz	HVGPULNFRGRMEF-DZGCQCFKSA-N	1	1	360.483	2.364	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1	ZINC000593455548	672926067	/nfs/dbraw/zinc/92/60/67/672926067.db2.gz	VWBKCYSDEHXCGQ-GFCCVEGCSA-N	1	1	350.260	2.321	20	30		FEEDMO
COCCOCC[NH+]1CCN(c2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000593518103	672932475	/nfs/dbraw/zinc/93/24/75/672932475.db2.gz	OYXAHRWPXAHDQL-UHFFFAOYSA-N	1	1	357.376	2.362	20	30		FEEDMO
C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1ccc(Br)cc1C#N	ZINC000593521711	672932839	/nfs/dbraw/zinc/93/28/39/672932839.db2.gz	OPDMEUSXBYHIIS-MEDUHNTESA-N	1	1	362.271	2.462	20	30		FEEDMO
Cc1nc(SCC(=O)N2CC[NH2+]C[C@@H]2C(F)F)c(C#N)c(C)c1C	ZINC000593906469	673006845	/nfs/dbraw/zinc/00/68/45/673006845.db2.gz	NBLXEZRQBHBJAQ-CYBMUJFWSA-N	1	1	354.426	2.036	20	30		FEEDMO
COCCN1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1	ZINC000303979228	673019594	/nfs/dbraw/zinc/01/95/94/673019594.db2.gz	MXUCMFWXFQRBGJ-CYBMUJFWSA-N	1	1	360.380	2.423	20	30		FEEDMO
CO[C@H]1C[C@@H](C(N)=O)N(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1	ZINC000329045226	673071572	/nfs/dbraw/zinc/07/15/72/673071572.db2.gz	JGLSVWALSDQBMY-VDERGJSUSA-N	1	1	352.479	2.178	20	30		FEEDMO
Cc1nc([C@@H](C)NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cs1	ZINC000329395884	673076744	/nfs/dbraw/zinc/07/67/44/673076744.db2.gz	UFJFSKSNHWYSLZ-CYBMUJFWSA-N	1	1	353.536	2.384	20	30		FEEDMO
Cc1nc([C@@H](C)NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cs1	ZINC000329395884	673076748	/nfs/dbraw/zinc/07/67/48/673076748.db2.gz	UFJFSKSNHWYSLZ-CYBMUJFWSA-N	1	1	353.536	2.384	20	30		FEEDMO
Cc1ncc(CN2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)s1	ZINC000329498059	673078540	/nfs/dbraw/zinc/07/85/40/673078540.db2.gz	XSJNBJGYEAUXAW-IAGOWNOFSA-N	1	1	363.531	2.110	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccc(C(=O)NC2CC2)c1	ZINC000329741896	673082811	/nfs/dbraw/zinc/08/28/11/673082811.db2.gz	OZAKNYFSEMFSOC-CXAGYDPISA-N	1	1	365.499	2.114	20	30		FEEDMO
C#CCNC(=O)CN1CC[NH+]([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1	ZINC000728571873	673204386	/nfs/dbraw/zinc/20/43/86/673204386.db2.gz	PIFDCSLALXQYTH-AWEZNQCLSA-N	1	1	353.388	2.133	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1	ZINC000595409188	673245371	/nfs/dbraw/zinc/24/53/71/673245371.db2.gz	AYWNQDQIGALLTN-OAHLLOKOSA-N	1	1	351.447	2.098	20	30		FEEDMO
C=C(C)[C@H]([NH2+][C@H]1CCN(CCC(=O)OC)C1=O)c1ccc(F)c(F)c1	ZINC000595440271	673251216	/nfs/dbraw/zinc/25/12/16/673251216.db2.gz	ORNYLDKSYGTGHM-RDJZCZTQSA-N	1	1	352.381	2.336	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	ZINC000730096671	673261829	/nfs/dbraw/zinc/26/18/29/673261829.db2.gz	ZCNIDOUCQPQCDN-SFHVURJKSA-N	1	1	363.864	2.221	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	ZINC000730096671	673261835	/nfs/dbraw/zinc/26/18/35/673261835.db2.gz	ZCNIDOUCQPQCDN-SFHVURJKSA-N	1	1	363.864	2.221	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1	ZINC000730105454	673262690	/nfs/dbraw/zinc/26/26/90/673262690.db2.gz	IOAIMFIGFICHJH-HNNXBMFYSA-N	1	1	367.280	2.135	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1	ZINC000730105454	673262693	/nfs/dbraw/zinc/26/26/93/673262693.db2.gz	IOAIMFIGFICHJH-HNNXBMFYSA-N	1	1	367.280	2.135	20	30		FEEDMO
CO[C@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595663716	673280532	/nfs/dbraw/zinc/28/05/32/673280532.db2.gz	SRIOTAOTMRTJKA-QGZVFWFLSA-N	1	1	351.834	2.014	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1COCCO1	ZINC000595746040	673288630	/nfs/dbraw/zinc/28/86/30/673288630.db2.gz	ZUUSJUFGOROMGF-CYBMUJFWSA-N	1	1	363.483	2.174	20	30		FEEDMO
N#Cc1cc(F)c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1Br	ZINC000596537921	673392398	/nfs/dbraw/zinc/39/23/98/673392398.db2.gz	JWIFVGOVCYOFKE-CYBMUJFWSA-N	1	1	368.250	2.495	20	30		FEEDMO
C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H](O)CC(C)(C)C#N	ZINC000598589904	673587281	/nfs/dbraw/zinc/58/72/81/673587281.db2.gz	MTDJKDVMIXCIDB-LBPRGKRZSA-N	1	1	369.263	2.015	20	30		FEEDMO
C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H](O)CC(C)(C)C#N	ZINC000598589904	673587282	/nfs/dbraw/zinc/58/72/82/673587282.db2.gz	MTDJKDVMIXCIDB-LBPRGKRZSA-N	1	1	369.263	2.015	20	30		FEEDMO
CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1	ZINC000598601067	673588102	/nfs/dbraw/zinc/58/81/02/673588102.db2.gz	DAWXZXPOACVYTB-IRXDYDNUSA-N	1	1	365.499	2.193	20	30		FEEDMO
N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)CCOCC1	ZINC000599297623	673655445	/nfs/dbraw/zinc/65/54/45/673655445.db2.gz	NYZQYEJGNVZIBY-KGLIPLIRSA-N	1	1	350.381	2.101	20	30		FEEDMO
Cn1cc(Br)cc1C[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1	ZINC000599312418	673656895	/nfs/dbraw/zinc/65/68/95/673656895.db2.gz	RYDQUPUQQNPBEA-HNNXBMFYSA-N	1	1	370.291	2.291	20	30		FEEDMO
Cc1ccc(C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)cc1C#N	ZINC000599426250	673674367	/nfs/dbraw/zinc/67/43/67/673674367.db2.gz	AAWYRODICNCUNC-UHFFFAOYSA-N	1	1	359.451	2.025	20	30		FEEDMO
CC(C)(C)OC(=O)C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)CC1CC1	ZINC000599450976	673677115	/nfs/dbraw/zinc/67/71/15/673677115.db2.gz	QDGMNPTYCABLTA-MRXNPFEDSA-N	1	1	352.475	2.111	20	30		FEEDMO
CC(C)(C)OC(=O)C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)CC1CC1	ZINC000599450976	673677117	/nfs/dbraw/zinc/67/71/17/673677117.db2.gz	QDGMNPTYCABLTA-MRXNPFEDSA-N	1	1	352.475	2.111	20	30		FEEDMO
CCN(CC)S(=O)(=O)c1ccc(N=NC2CC[N@@H+](CC)C[C@H]2C)nc1	ZINC000741454100	673687461	/nfs/dbraw/zinc/68/74/61/673687461.db2.gz	BZKWGFGNRBVHGK-CQSZACIVSA-N	1	1	367.519	2.242	20	30		FEEDMO
C[C@@H]1CC(N=Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC[N@H+]1C	ZINC000741454419	673687533	/nfs/dbraw/zinc/68/75/33/673687533.db2.gz	FDNSYJBITORTNU-CQSZACIVSA-N	1	1	365.503	2.138	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1	ZINC000599939042	673729109	/nfs/dbraw/zinc/72/91/09/673729109.db2.gz	GBZMWRQCQBHSBH-GJZGRUSLSA-N	1	1	355.463	2.363	20	30		FEEDMO
N#CC1(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC2(CC2)C1	ZINC000601015402	673819472	/nfs/dbraw/zinc/81/94/72/673819472.db2.gz	KGLKVAHJFOLWQE-UHFFFAOYSA-N	1	1	359.392	2.184	20	30		FEEDMO
C#CC[N@@H+](CC)CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	ZINC000746456792	673879098	/nfs/dbraw/zinc/87/90/98/673879098.db2.gz	JMKXPXUPTRWHNM-UHFFFAOYSA-N	1	1	351.853	2.078	20	30		FEEDMO
C#CC[N@H+](CC)CC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1	ZINC000746456792	673879100	/nfs/dbraw/zinc/87/91/00/673879100.db2.gz	JMKXPXUPTRWHNM-UHFFFAOYSA-N	1	1	351.853	2.078	20	30		FEEDMO
N#Cc1c(F)cccc1C[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1	ZINC000602017390	673901519	/nfs/dbraw/zinc/90/15/19/673901519.db2.gz	PSVCLBIQDOTCKI-HNNXBMFYSA-N	1	1	359.426	2.250	20	30		FEEDMO
CO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@](C)(CO)C1	ZINC000602964737	673914703	/nfs/dbraw/zinc/91/47/03/673914703.db2.gz	SXUOAMDDXYDTOK-YOEHRIQHSA-N	1	1	351.834	2.012	20	30		FEEDMO
N#Cc1cc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)ncc1Br	ZINC000603270117	673920581	/nfs/dbraw/zinc/92/05/81/673920581.db2.gz	CNDFMKUJCRCWOR-AWEZNQCLSA-N	1	1	365.275	2.407	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)s1	ZINC000566502761	675219666	/nfs/dbraw/zinc/21/96/66/675219666.db2.gz	AGPUPCQXIOSKFP-AWEZNQCLSA-N	1	1	351.428	2.094	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@H](C)Oc1ccc(Br)cc1	ZINC000818615213	675228938	/nfs/dbraw/zinc/22/89/38/675228938.db2.gz	CYMVSDJHGDZVRQ-ZDUSSCGKSA-N	1	1	353.260	2.288	20	30		FEEDMO
C#C[C@@H](NC(=O)N1CC[NH+](CC)CC1)c1ccc(Br)cc1	ZINC000820626817	675375188	/nfs/dbraw/zinc/37/51/88/675375188.db2.gz	XCXMDAPUIYAVNJ-OAHLLOKOSA-N	1	1	350.260	2.471	20	30		FEEDMO
C#C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccc(Cl)cc1F	ZINC000820751201	675385237	/nfs/dbraw/zinc/38/52/37/675385237.db2.gz	UVKGQNNGCAOWMO-RHSMWYFYSA-N	1	1	367.852	2.299	20	30		FEEDMO
C=CCOCC[NH+]1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1	ZINC000569006871	675417026	/nfs/dbraw/zinc/41/70/26/675417026.db2.gz	OJYBRCYHQVQGDT-QGZVFWFLSA-N	1	1	352.862	2.374	20	30		FEEDMO
N#Cc1ccc(NC[C@H]2CC[N@H+]2C2CCCCC2)c(CS(N)(=O)=O)c1	ZINC000603413234	675798432	/nfs/dbraw/zinc/79/84/32/675798432.db2.gz	NXNUYDLBJBSKNT-QGZVFWFLSA-N	1	1	362.499	2.166	20	30		FEEDMO
N#Cc1ccc(F)c(CS(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1	ZINC000618068349	676318502	/nfs/dbraw/zinc/31/85/02/676318502.db2.gz	VGBQFGHZXFPHGB-MRXNPFEDSA-N	1	1	351.447	2.134	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@H]1c1ccccc1	ZINC000619493741	676381179	/nfs/dbraw/zinc/38/11/79/676381179.db2.gz	NBXYRNACZKKURN-RBUKOAKNSA-N	1	1	355.463	2.476	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@H]1c1ccccc1	ZINC000619493741	676381180	/nfs/dbraw/zinc/38/11/80/676381180.db2.gz	NBXYRNACZKKURN-RBUKOAKNSA-N	1	1	355.463	2.476	20	30		FEEDMO
C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000677479032	679682266	/nfs/dbraw/zinc/68/22/66/679682266.db2.gz	IDZMNRZHMZVZHL-OCCSQVGLSA-N	1	1	368.275	2.432	20	30		FEEDMO
C=CCn1c(-c2cn[nH]c2)nnc1N1CC[NH+](Cc2ccsc2)CC1	ZINC000624848137	676598350	/nfs/dbraw/zinc/59/83/50/676598350.db2.gz	SCRPEUBDPVEUCY-UHFFFAOYSA-N	1	1	355.471	2.238	20	30		FEEDMO
C#CC[N@@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1	ZINC000761504950	680725147	/nfs/dbraw/zinc/72/51/47/680725147.db2.gz	BCYPXJFILBZAOD-ZBFHGGJFSA-N	1	1	353.459	2.135	20	30		FEEDMO
C#CC[N@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1	ZINC000761504950	680725149	/nfs/dbraw/zinc/72/51/49/680725149.db2.gz	BCYPXJFILBZAOD-ZBFHGGJFSA-N	1	1	353.459	2.135	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCNC(=O)OC(C)(C)C	ZINC000839135014	680740710	/nfs/dbraw/zinc/74/07/10/680740710.db2.gz	ZCHRPWRFFUOWHU-AWEZNQCLSA-N	1	1	352.479	2.174	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCNC(=O)OC(C)(C)C	ZINC000839135014	680740712	/nfs/dbraw/zinc/74/07/12/680740712.db2.gz	ZCHRPWRFFUOWHU-AWEZNQCLSA-N	1	1	352.479	2.174	20	30		FEEDMO
C=CCN1CCN(C[NH+]2CCC(CNC(=O)OC(C)(C)C)CC2)C1=O	ZINC000839980461	680791423	/nfs/dbraw/zinc/79/14/23/680791423.db2.gz	AGJYNCJHNGPVNG-UHFFFAOYSA-N	1	1	352.479	2.104	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)C1=O	ZINC000840006215	680792352	/nfs/dbraw/zinc/79/23/52/680792352.db2.gz	BHFMFVMJWBYXHQ-CABCVRRESA-N	1	1	352.479	2.103	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)C1=O	ZINC000840006215	680792354	/nfs/dbraw/zinc/79/23/54/680792354.db2.gz	BHFMFVMJWBYXHQ-CABCVRRESA-N	1	1	352.479	2.103	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1=O	ZINC000840044063	680794979	/nfs/dbraw/zinc/79/49/79/680794979.db2.gz	XRMDBNFRFXUVHA-HUUCEWRRSA-N	1	1	352.479	2.103	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1=O	ZINC000840044063	680794981	/nfs/dbraw/zinc/79/49/81/680794981.db2.gz	XRMDBNFRFXUVHA-HUUCEWRRSA-N	1	1	352.479	2.103	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)CC1=CCSC1	ZINC000669030079	679215869	/nfs/dbraw/zinc/21/58/69/679215869.db2.gz	BKXGNHKJYQTTSZ-CVEARBPZSA-N	1	1	361.515	2.109	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2SC)CC1	ZINC000747824255	679905630	/nfs/dbraw/zinc/90/56/30/679905630.db2.gz	JLVMBIDGQRPHKM-CQSZACIVSA-N	1	1	359.495	2.197	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)Cc2cnns2)C1	ZINC001017227654	680073929	/nfs/dbraw/zinc/07/39/29/680073929.db2.gz	PSRQPKQNIVUWBR-XIRDDKMYSA-N	1	1	364.515	2.190	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C[N@H+](C)Cc2cnns2)C1	ZINC001017227654	680073933	/nfs/dbraw/zinc/07/39/33/680073933.db2.gz	PSRQPKQNIVUWBR-XIRDDKMYSA-N	1	1	364.515	2.190	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	ZINC000832591049	680153649	/nfs/dbraw/zinc/15/36/49/680153649.db2.gz	LLQQUUZMKHCTRY-CVEARBPZSA-N	1	1	351.491	2.352	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21	ZINC000832591049	680153651	/nfs/dbraw/zinc/15/36/51/680153651.db2.gz	LLQQUUZMKHCTRY-CVEARBPZSA-N	1	1	351.491	2.352	20	30		FEEDMO
O=S(=O)(NN=CC1(C[NH+]2CCOCC2)CCCCC1)c1ccccc1	ZINC000751131014	680155567	/nfs/dbraw/zinc/15/55/67/680155567.db2.gz	JRQDDPGVIOTAFQ-UHFFFAOYSA-N	1	1	365.499	2.233	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2csnc2OC)C1	ZINC001023599550	680265197	/nfs/dbraw/zinc/26/51/97/680265197.db2.gz	NHDYQBYLFZUFCY-IMJJTQAJSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2csnc2OC)C1	ZINC001023599550	680265198	/nfs/dbraw/zinc/26/51/98/680265198.db2.gz	NHDYQBYLFZUFCY-IMJJTQAJSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CCn2cc(Cl)cn2)CC1	ZINC000982174282	680272612	/nfs/dbraw/zinc/27/26/12/680272612.db2.gz	ZCPIJDPKUJUGCM-IRXDYDNUSA-N	1	1	366.893	2.052	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](CCn2cc(Cl)cn2)CC1	ZINC000982174282	680272615	/nfs/dbraw/zinc/27/26/15/680272615.db2.gz	ZCPIJDPKUJUGCM-IRXDYDNUSA-N	1	1	366.893	2.052	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C[C@H](C)OC)C[C@]2(C)C1	ZINC000982282282	680274509	/nfs/dbraw/zinc/27/45/09/680274509.db2.gz	VJZVENWQQGIZOT-SQIBXOBRSA-N	1	1	350.503	2.173	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnsc2Cl)C1	ZINC001024164818	680282542	/nfs/dbraw/zinc/28/25/42/680282542.db2.gz	ICFVPMUKRBZESM-BZPMIXESSA-N	1	1	370.906	2.111	20	30		FEEDMO
S=C(NCCC[NH+]1CCOCC1)NN=C1CCc2ccccc2CC1	ZINC000834925814	680282791	/nfs/dbraw/zinc/28/27/91/680282791.db2.gz	RSRRULNHJGTVRA-UHFFFAOYSA-N	1	1	360.527	2.108	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2	ZINC000995920826	680311912	/nfs/dbraw/zinc/31/19/12/680311912.db2.gz	WZWKNCFYKGVIEC-QPSCCSFWSA-N	1	1	353.894	2.107	20	30		FEEDMO
O=C(NC[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1)[C@]12C[C@H]1COC2	ZINC001028555395	680376389	/nfs/dbraw/zinc/37/63/89/680376389.db2.gz	WMXATWURDYFWLM-SYNHAJSKSA-N	1	1	358.869	2.166	20	30		FEEDMO
O=C(NC[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1)[C@]12C[C@H]1COC2	ZINC001028555395	680376393	/nfs/dbraw/zinc/37/63/93/680376393.db2.gz	WMXATWURDYFWLM-SYNHAJSKSA-N	1	1	358.869	2.166	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1	ZINC001028808790	680383062	/nfs/dbraw/zinc/38/30/62/680383062.db2.gz	FJOWIFLAIFJGCP-VHSSKADRSA-N	1	1	350.409	2.494	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2csnn2)C1	ZINC000984918187	680396671	/nfs/dbraw/zinc/39/66/71/680396671.db2.gz	VZZFXTPXGUBLMC-FAHYXWLWSA-N	1	1	350.488	2.065	20	30		FEEDMO
N#Cc1ccc(Br)c(C[NH+]2CCC3(CNC(=O)O3)CC2)c1	ZINC000755071037	680397368	/nfs/dbraw/zinc/39/73/68/680397368.db2.gz	OPKXGIGLUDBXMH-UHFFFAOYSA-N	1	1	350.216	2.395	20	30		FEEDMO
C=C(Cl)CN[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1	ZINC000999196096	680398789	/nfs/dbraw/zinc/39/87/89/680398789.db2.gz	WHTFYCSSAMGTLI-KSZLIROESA-N	1	1	369.937	2.066	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H]3C[C@@H](C)CC(=O)N3)CC2)CC1	ZINC001000156857	680421808	/nfs/dbraw/zinc/42/18/08/680421808.db2.gz	JTMRUDLWRVFXEW-IUODEOHRSA-N	1	1	353.894	2.014	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](c1ccccc1)N1CCSCC1	ZINC000755664974	680427320	/nfs/dbraw/zinc/42/73/20/680427320.db2.gz	ZLEZEZJVLHNWAI-MOPGFXCFSA-N	1	1	358.507	2.417	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@H+](Cc2cc(OC)ns2)C1	ZINC001033955321	680428491	/nfs/dbraw/zinc/42/84/91/680428491.db2.gz	YZBOLDCZOAJVEL-BMFZPTHFSA-N	1	1	365.499	2.166	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2cc(OC)ns2)C1	ZINC001033955321	680428495	/nfs/dbraw/zinc/42/84/95/680428495.db2.gz	YZBOLDCZOAJVEL-BMFZPTHFSA-N	1	1	365.499	2.166	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)NCc1cc(Br)ccc1OC	ZINC000836262820	680442305	/nfs/dbraw/zinc/44/23/05/680442305.db2.gz	GADSTBQOHRRECA-UHFFFAOYSA-N	1	1	368.275	2.212	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(CCC)s1	ZINC001035057835	680443129	/nfs/dbraw/zinc/44/31/29/680443129.db2.gz	XGBVZTBZXKYECN-KFWWJZLASA-N	1	1	364.515	2.162	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([N@@H+](C)CC[C@@H]2CCCO2)CC1	ZINC000985436402	680447795	/nfs/dbraw/zinc/44/77/95/680447795.db2.gz	ZAPWPLWHVOSKTL-OTWHNJEPSA-N	1	1	350.503	2.460	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCc2cccs2)CCO1	ZINC001035542443	680450469	/nfs/dbraw/zinc/45/04/69/680450469.db2.gz	PCLSXSMHDJRRCX-NJAFHUGGSA-N	1	1	364.511	2.089	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2cccs2)CCO1	ZINC001035542443	680450471	/nfs/dbraw/zinc/45/04/71/680450471.db2.gz	PCLSXSMHDJRRCX-NJAFHUGGSA-N	1	1	364.511	2.089	20	30		FEEDMO
C=C(Br)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001039377233	680462985	/nfs/dbraw/zinc/46/29/85/680462985.db2.gz	MTJRSJNTEFPGOZ-LVQVYYBASA-N	1	1	370.335	2.301	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](CC(=O)OC)c1ccc(Cl)cc1	ZINC000836489060	680476139	/nfs/dbraw/zinc/47/61/39/680476139.db2.gz	VCEVVLQPOIFAGX-INIZCTEOSA-N	1	1	365.861	2.199	20	30		FEEDMO
Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)c1C#N	ZINC001042210778	680523918	/nfs/dbraw/zinc/52/39/18/680523918.db2.gz	CLLRZVQPPHOVLG-DAXOMENPSA-N	1	1	361.515	2.137	20	30		FEEDMO
C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C	ZINC001042634567	680537145	/nfs/dbraw/zinc/53/71/45/680537145.db2.gz	VOEJZOVGSBOSLU-IJLUTSLNSA-N	1	1	367.906	2.093	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1Nc1nc(C#N)c(Cl)s1	ZINC001043249954	680569192	/nfs/dbraw/zinc/56/91/92/680569192.db2.gz	AINRKIOILPHBAO-NQBHXWOUSA-N	1	1	367.906	2.269	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2snnc2C)CC1	ZINC001005409842	680574354	/nfs/dbraw/zinc/57/43/54/680574354.db2.gz	LZHDLIYBJUEJTF-CVEARBPZSA-N	1	1	364.515	2.251	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1Nc1snc(Cl)c1C#N	ZINC001043510683	680584830	/nfs/dbraw/zinc/58/48/30/680584830.db2.gz	DICNMWMVIUIIEX-NQBHXWOUSA-N	1	1	367.906	2.411	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CCO)C2)C1	ZINC001045972465	680642507	/nfs/dbraw/zinc/64/25/07/680642507.db2.gz	BDNLNZKWDOLZBA-CMKODMSKSA-N	1	1	350.503	2.055	20	30		FEEDMO
CC(C)CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccccn1	ZINC000760225536	680680262	/nfs/dbraw/zinc/68/02/62/680680262.db2.gz	DNCTZGMMLAGJRN-UHFFFAOYSA-N	1	1	363.531	2.018	20	30		FEEDMO
CC(C)CC(=NNC(=S)NCCC[NH+]1CCOCC1)c1ccncc1	ZINC000842522113	680952010	/nfs/dbraw/zinc/95/20/10/680952010.db2.gz	LSUPANALBNDFCH-UHFFFAOYSA-N	1	1	363.531	2.018	20	30		FEEDMO
CSCCNC(=S)NN=C1CC[N@@H+](Cc2ccccn2)C[C@H]1C	ZINC000769604270	680988724	/nfs/dbraw/zinc/98/87/24/680988724.db2.gz	HRHOFIRQPVMNBZ-CYBMUJFWSA-N	1	1	351.545	2.107	20	30		FEEDMO
C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C[C@@H](O)c1cccc(C#N)c1	ZINC000844367205	681054667	/nfs/dbraw/zinc/05/46/67/681054667.db2.gz	SGJDVQJRGDEOPI-GOSISDBHSA-N	1	1	357.841	2.493	20	30		FEEDMO
C[N@H+](CC(=O)NCc1ccc(Cl)cc1)C[C@@H](O)c1cccc(C#N)c1	ZINC000844367205	681054668	/nfs/dbraw/zinc/05/46/68/681054668.db2.gz	SGJDVQJRGDEOPI-GOSISDBHSA-N	1	1	357.841	2.493	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CCN1c1nc(Cl)c(C#N)s1	ZINC001051027197	681060707	/nfs/dbraw/zinc/06/07/07/681060707.db2.gz	NUJPOJXTDUCCIH-TUAOUCFPSA-N	1	1	367.906	2.236	20	30		FEEDMO
C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001052731664	681084946	/nfs/dbraw/zinc/08/49/46/681084946.db2.gz	TXZDZQPQHBVJAX-YJNKXOJESA-N	1	1	357.292	2.433	20	30		FEEDMO
C=C(Br)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1	ZINC001052731664	681084947	/nfs/dbraw/zinc/08/49/47/681084947.db2.gz	TXZDZQPQHBVJAX-YJNKXOJESA-N	1	1	357.292	2.433	20	30		FEEDMO
C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCO[C@H]1C(C)C)CO2	ZINC001053805589	681103960	/nfs/dbraw/zinc/10/39/60/681103960.db2.gz	ULURSOMQXYHWFF-SQNIBIBYSA-N	1	1	350.503	2.363	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@@H]2CCCN(c3nc(Cl)c(C#N)s3)C2)CC[N@H+]1C	ZINC001058257905	681169604	/nfs/dbraw/zinc/16/96/04/681169604.db2.gz	IUQSZLJPQUFLEM-IJLUTSLNSA-N	1	1	367.906	2.093	20	30		FEEDMO
Cc1nsc(NC[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1C#N	ZINC001060101126	681196050	/nfs/dbraw/zinc/19/60/50/681196050.db2.gz	RCZMSOYVABBESA-RBSFLKMASA-N	1	1	361.515	2.314	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)OC)C[C@H]2CC1	ZINC000946818050	681261992	/nfs/dbraw/zinc/26/19/92/681261992.db2.gz	BXLQGTOFKQNGTD-OYSTVDSJSA-N	1	1	350.503	2.173	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1Br)[C@H]1CCCO1	ZINC000775789241	681335087	/nfs/dbraw/zinc/33/50/87/681335087.db2.gz	LNDJKSAUGKUYJB-JKSUJKDBSA-N	1	1	365.271	2.178	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCCO1	ZINC000775799548	681336280	/nfs/dbraw/zinc/33/62/80/681336280.db2.gz	NRLNYCCAIBBTDU-OCCSQVGLSA-N	1	1	355.207	2.297	20	30		FEEDMO
C#C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1	ZINC000775805282	681337227	/nfs/dbraw/zinc/33/72/27/681337227.db2.gz	FJFQEAQOUGETQK-RIEGTJTDSA-N	1	1	351.790	2.346	20	30		FEEDMO
CS(=O)(=O)c1cccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c1	ZINC000776261272	681377161	/nfs/dbraw/zinc/37/71/61/681377161.db2.gz	JFCFORVZPAYPQQ-UHFFFAOYSA-N	1	1	359.451	2.373	20	30		FEEDMO
C[C@@]1([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CCOc2ccccc21	ZINC000933370430	681400503	/nfs/dbraw/zinc/40/05/03/681400503.db2.gz	LOUXXTNRJQXSTC-GOSISDBHSA-N	1	1	357.435	2.014	20	30		FEEDMO
O=C(C[NH+]1CCC2(CC1)CC(=O)C=CO2)N1CCC[C@H](C(F)(F)F)C1	ZINC000933648695	681445723	/nfs/dbraw/zinc/44/57/23/681445723.db2.gz	GXNZSFXRPUVHIU-ZDUSSCGKSA-N	1	1	360.376	2.125	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC000948638471	681591186	/nfs/dbraw/zinc/59/11/86/681591186.db2.gz	AZWOZKFJDUURHR-VVLHAWIVSA-N	1	1	356.894	2.103	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1CS(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21	ZINC000914267248	685501625	/nfs/dbraw/zinc/50/16/25/685501625.db2.gz	HCDMMBQCSPRMCR-IEBWSBKVSA-N	1	1	361.511	2.421	20	30		FEEDMO
C[N@H+](CC(=O)OCC#Cc1ccc(Br)cn1)[C@@H]1CCSC1	ZINC000851276756	682043189	/nfs/dbraw/zinc/04/31/89/682043189.db2.gz	VVHVQJQEEBRJJK-CQSZACIVSA-N	1	1	369.284	2.176	20	30		FEEDMO
C[N@@H+](CC(=O)OCC#Cc1ccc(Br)cn1)[C@@H]1CCSC1	ZINC000851276756	682043197	/nfs/dbraw/zinc/04/31/97/682043197.db2.gz	VVHVQJQEEBRJJK-CQSZACIVSA-N	1	1	369.284	2.176	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCOCC1	ZINC000960929669	682072402	/nfs/dbraw/zinc/07/24/02/682072402.db2.gz	XRQFDDCAJFXNCS-QYZOEREBSA-N	1	1	350.503	2.317	20	30		FEEDMO
N#Cc1cc(CS(=O)(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cs1	ZINC000917395045	685531773	/nfs/dbraw/zinc/53/17/73/685531773.db2.gz	GVEFCTIRUMROAJ-AWEZNQCLSA-N	1	1	353.513	2.446	20	30		FEEDMO
CCOP(=O)(OCC)[C@@H](O)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1	ZINC000852210697	682239979	/nfs/dbraw/zinc/23/99/79/682239979.db2.gz	JVTWVGUAWTXSMH-JKSUJKDBSA-N	1	1	356.359	2.108	20	30		FEEDMO
C=C(Br)CN1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC000969687473	682271892	/nfs/dbraw/zinc/27/18/92/682271892.db2.gz	CDHKXOUEKHYVFH-VHDGCEQUSA-N	1	1	358.324	2.062	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CCOC2=O)C1	ZINC000852435792	682278198	/nfs/dbraw/zinc/27/81/98/682278198.db2.gz	BEPZPBMXNACAGC-LSDHHAIUSA-N	1	1	363.483	2.178	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](N2CCOC2=O)C1	ZINC000852435792	682278201	/nfs/dbraw/zinc/27/82/01/682278201.db2.gz	BEPZPBMXNACAGC-LSDHHAIUSA-N	1	1	363.483	2.178	20	30		FEEDMO
C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852756460	682335993	/nfs/dbraw/zinc/33/59/93/682335993.db2.gz	JQKXDLNARJGZKB-KGLIPLIRSA-N	1	1	361.408	2.476	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C[C@@H]1NC(=O)C(F)(F)F	ZINC000852756460	682335995	/nfs/dbraw/zinc/33/59/95/682335995.db2.gz	JQKXDLNARJGZKB-KGLIPLIRSA-N	1	1	361.408	2.476	20	30		FEEDMO
N#Cc1ccccc1NC(=S)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	ZINC000853029039	682365684	/nfs/dbraw/zinc/36/56/84/682365684.db2.gz	IMMPSKQAVWHBQH-IAGOWNOFSA-N	1	1	356.495	2.488	20	30		FEEDMO
C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO[C@H]3C(C)C)C2)C1	ZINC000972389723	682412789	/nfs/dbraw/zinc/41/27/89/682412789.db2.gz	VDTXDJZYTLRZCS-BJLQDIEVSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCO[C@H]3C(C)C)C2)C1	ZINC000972389723	682412793	/nfs/dbraw/zinc/41/27/93/682412793.db2.gz	VDTXDJZYTLRZCS-BJLQDIEVSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnc(Br)c(OC)c1	ZINC000788357176	682523266	/nfs/dbraw/zinc/52/32/66/682523266.db2.gz	ZNQVXJBNICHFGR-LBPRGKRZSA-N	1	1	353.216	2.107	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cnc(Br)c(OC)c1	ZINC000788357176	682523272	/nfs/dbraw/zinc/52/32/72/682523272.db2.gz	ZNQVXJBNICHFGR-LBPRGKRZSA-N	1	1	353.216	2.107	20	30		FEEDMO
C#C[C@H]([NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1)[C@H]1CCCO1	ZINC000795815839	683094933	/nfs/dbraw/zinc/09/49/33/683094933.db2.gz	BGQQWWVTJRTICV-OWCLPIDISA-N	1	1	370.902	2.470	20	30		FEEDMO
C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C	ZINC000860040321	683192478	/nfs/dbraw/zinc/19/24/78/683192478.db2.gz	NGBBAOUDKWQHBB-RBZJEDDUSA-N	1	1	350.459	2.291	20	30		FEEDMO
C=C[C@H](C(=O)OC)[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)OC(C)(C)C	ZINC000860040321	683192483	/nfs/dbraw/zinc/19/24/83/683192483.db2.gz	NGBBAOUDKWQHBB-RBZJEDDUSA-N	1	1	350.459	2.291	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1	ZINC000928092773	683382069	/nfs/dbraw/zinc/38/20/69/683382069.db2.gz	JNBRYXDOOVBAPB-SJORKVTESA-N	1	1	361.536	2.487	20	30		FEEDMO
N#Cc1ccc(CSCC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1	ZINC000928092773	683382073	/nfs/dbraw/zinc/38/20/73/683382073.db2.gz	JNBRYXDOOVBAPB-SJORKVTESA-N	1	1	361.536	2.487	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+]2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)C1=O	ZINC000799142453	683426778	/nfs/dbraw/zinc/42/67/78/683426778.db2.gz	SXSQKZKHWIBGBM-PMPSAXMXSA-N	1	1	351.491	2.399	20	30		FEEDMO
CC(CSc1ccccc1[N+](=O)[O-])=NNCCC[NH+]1CCOCC1	ZINC000799491872	683460880	/nfs/dbraw/zinc/46/08/80/683460880.db2.gz	OIGRAZQZIRITCW-UHFFFAOYSA-N	1	1	352.460	2.375	20	30		FEEDMO
C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)C1(S(C)(=O)=O)CC1	ZINC000922123647	683665131	/nfs/dbraw/zinc/66/51/31/683665131.db2.gz	WIVHLGKHOHQKEN-SNVBAGLBSA-N	1	1	357.273	2.376	20	30		FEEDMO
N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1	ZINC000930277460	683703582	/nfs/dbraw/zinc/70/35/82/683703582.db2.gz	COZKLCRPIYRTJV-LULLPPNCSA-N	1	1	361.873	2.326	20	30		FEEDMO
N#CC[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F	ZINC000930302473	683707384	/nfs/dbraw/zinc/70/73/84/683707384.db2.gz	MGMSAFSLEDEONY-SKDRFNHKSA-N	1	1	367.165	2.365	20	30		FEEDMO
CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CCC#N)C2	ZINC000922486174	683733376	/nfs/dbraw/zinc/73/33/76/683733376.db2.gz	PWTDKOGPVGDUNM-YKTARERQSA-N	1	1	350.507	2.095	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(Br)nc2C)C1	ZINC000930689984	683772030	/nfs/dbraw/zinc/77/20/30/683772030.db2.gz	VSVHDBVQMDSKCS-GFCCVEGCSA-N	1	1	351.248	2.372	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(Br)nc2C)C1	ZINC000930689984	683772033	/nfs/dbraw/zinc/77/20/33/683772033.db2.gz	VSVHDBVQMDSKCS-GFCCVEGCSA-N	1	1	351.248	2.372	20	30		FEEDMO
C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1	ZINC000931062490	683825052	/nfs/dbraw/zinc/82/50/52/683825052.db2.gz	JOCOTYKIWKNCGF-XHSDSOJGSA-N	1	1	356.532	2.171	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)Cc2ccc(OC)c(OC(F)F)c2)C1	ZINC000923549607	684303721	/nfs/dbraw/zinc/30/37/21/684303721.db2.gz	NJEQRONCDSEWGG-AWEZNQCLSA-N	1	1	352.381	2.053	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(OC)c(OC(F)F)c2)C1	ZINC000923549607	684303725	/nfs/dbraw/zinc/30/37/25/684303725.db2.gz	NJEQRONCDSEWGG-AWEZNQCLSA-N	1	1	352.381	2.053	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1	ZINC000923556715	684305159	/nfs/dbraw/zinc/30/51/59/684305159.db2.gz	HXLZHSOKNVVZKN-LLVKDONJSA-N	1	1	355.316	2.441	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1	ZINC000923556715	684305164	/nfs/dbraw/zinc/30/51/64/684305164.db2.gz	HXLZHSOKNVVZKN-LLVKDONJSA-N	1	1	355.316	2.441	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)CCCCN(C)C(=O)OC(C)(C)C)C1	ZINC000923598560	684311605	/nfs/dbraw/zinc/31/16/05/684311605.db2.gz	VWSAHDUDZIAUNI-MRXNPFEDSA-N	1	1	351.491	2.237	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCCN(C)C(=O)OC(C)(C)C)C1	ZINC000923598560	684311611	/nfs/dbraw/zinc/31/16/11/684311611.db2.gz	VWSAHDUDZIAUNI-MRXNPFEDSA-N	1	1	351.491	2.237	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H]2C(=O)NCC2(C)C)ccc1Cl	ZINC000931662975	684322945	/nfs/dbraw/zinc/32/29/45/684322945.db2.gz	PDHNVBJJANKEBM-MRXNPFEDSA-N	1	1	362.861	2.009	20	30		FEEDMO
N#Cc1sc(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)nc1Cl	ZINC000931725152	684337716	/nfs/dbraw/zinc/33/77/16/684337716.db2.gz	SQVCBAOTOFJCEI-RKDXNWHRSA-N	1	1	357.892	2.369	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)c1	ZINC000931793724	684349658	/nfs/dbraw/zinc/34/96/58/684349658.db2.gz	HLOWUEWYKMNNPW-UHFFFAOYSA-N	1	1	362.495	2.040	20	30		FEEDMO
CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[N@H+](C(C)C)CC2)c1	ZINC000931793724	684349663	/nfs/dbraw/zinc/34/96/63/684349663.db2.gz	HLOWUEWYKMNNPW-UHFFFAOYSA-N	1	1	362.495	2.040	20	30		FEEDMO
C#CCC1(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)CCOCC1	ZINC000925432778	684562679	/nfs/dbraw/zinc/56/26/79/684562679.db2.gz	PIRIIQKPVAPWFD-UHFFFAOYSA-N	1	1	361.511	2.352	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnn(C(C)C)c1Br	ZINC000870194736	684691764	/nfs/dbraw/zinc/69/17/64/684691764.db2.gz	RNNXWENSCUWJOC-GFCCVEGCSA-N	1	1	354.248	2.481	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cnn(C(C)C)c1Br	ZINC000870194736	684691767	/nfs/dbraw/zinc/69/17/67/684691767.db2.gz	RNNXWENSCUWJOC-GFCCVEGCSA-N	1	1	354.248	2.481	20	30		FEEDMO
C=CCn1c(Cc2nc(C)cs2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1	ZINC000871050136	684782436	/nfs/dbraw/zinc/78/24/36/684782436.db2.gz	GSAAVZMQPARRHD-CABCVRRESA-N	1	1	358.515	2.350	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1	ZINC000876709280	686249948	/nfs/dbraw/zinc/24/99/48/686249948.db2.gz	NYODVIVEZBDYDY-IRXDYDNUSA-N	1	1	351.878	2.418	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CCN(CC)CC2)c(F)c1	ZINC000877265760	686346262	/nfs/dbraw/zinc/34/62/62/686346262.db2.gz	IVGOODGVSAQGES-OAHLLOKOSA-N	1	1	354.857	2.376	20	30		FEEDMO
C[N@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H](O)c1cc(Br)no1	ZINC000878802082	686664026	/nfs/dbraw/zinc/66/40/26/686664026.db2.gz	AQYDCXLASHBPJN-STQMWFEESA-N	1	1	366.215	2.008	20	30		FEEDMO
COC[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1cccc(Br)c1	ZINC000879663469	686883176	/nfs/dbraw/zinc/88/31/76/686883176.db2.gz	IFPQIGBZCONXIC-AWEZNQCLSA-N	1	1	366.259	2.289	20	30		FEEDMO
CO[C@H]1COCC[C@H]1[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2	ZINC000880429605	687047109	/nfs/dbraw/zinc/04/71/09/687047109.db2.gz	IAQRVGNUNLDQBC-CABCVRRESA-N	1	1	363.483	2.173	20	30		FEEDMO
C#CCC1(O)CC[NH+](CC(=O)N(C)Cc2c(F)cccc2Cl)CC1	ZINC000880477355	687052368	/nfs/dbraw/zinc/05/23/68/687052368.db2.gz	OUOHOQYAYBVRNJ-UHFFFAOYSA-N	1	1	352.837	2.288	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCc3ncncc3C1)CCC2	ZINC000880596404	687065016	/nfs/dbraw/zinc/06/50/16/687065016.db2.gz	NCLAECQXIISMAH-UHFFFAOYSA-N	1	1	353.451	2.285	20	30		FEEDMO
C[N@H+]1CCN(CCNc2ncc(C#N)cc2Br)CC1(C)C	ZINC000882313034	687345773	/nfs/dbraw/zinc/34/57/73/687345773.db2.gz	QGMOPRAKNXEDAW-UHFFFAOYSA-N	1	1	352.280	2.154	20	30		FEEDMO
COCC[N@@H+]1[C@H](C)CN(c2cc(C#N)c(Br)cn2)C[C@@H]1C	ZINC000882516413	687383718	/nfs/dbraw/zinc/38/37/18/687383718.db2.gz	YXDXNYVVFYWBKX-TXEJJXNPSA-N	1	1	353.264	2.261	20	30		FEEDMO
CSc1ccc(CNC(=O)NCc2c[nH+]c(N(C)C)n2C)cc1C#N	ZINC000884206568	687818362	/nfs/dbraw/zinc/81/83/62/687818362.db2.gz	YJXCZNZXBOZJBG-UHFFFAOYSA-N	1	1	358.471	2.079	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(C(=O)NCc3nc(C#N)cs3)CC2)cs1	ZINC000887983059	688531013	/nfs/dbraw/zinc/53/10/13/688531013.db2.gz	JJUHJCHUFPULOJ-UHFFFAOYSA-N	1	1	361.496	2.308	20	30		FEEDMO
C=CCOc1ccc(C[NH+]2CCC(O)(COCCO)CC2)cc1Cl	ZINC000895827326	689776777	/nfs/dbraw/zinc/77/67/77/689776777.db2.gz	NERLDJXHFMBZLO-UHFFFAOYSA-N	1	1	355.862	2.241	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12	ZINC000896608983	689905822	/nfs/dbraw/zinc/90/58/22/689905822.db2.gz	KRBQUIOIATXQEE-HUUCEWRRSA-N	1	1	350.513	2.341	20	30		FEEDMO
CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1c(C#N)sc2ccccc21	ZINC000907252246	691432842	/nfs/dbraw/zinc/43/28/42/691432842.db2.gz	AOPORVSMDJYLCN-CQSZACIVSA-N	1	1	361.492	2.488	20	30		FEEDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nnc(Cl)cc1C#N)CC2	ZINC001164649697	719308984	/nfs/dbraw/zinc/30/89/84/719308984.db2.gz	WIIMUGCQSLWHTL-UHFFFAOYSA-N	1	1	359.865	2.403	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3[nH]cc(C#N)c31)C2	ZINC001164806442	720069274	/nfs/dbraw/zinc/06/92/74/720069274.db2.gz	CWKBRTPNZSWADL-OXJNMPFZSA-N	1	1	366.469	2.014	20	30		FEEDMO
CCc1nc(C#N)c(C#N)nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1	ZINC001164724808	720474073	/nfs/dbraw/zinc/47/40/73/720474073.db2.gz	HVLJDZZRCGMRBC-RBUKOAKNSA-N	1	1	359.437	2.031	20	30		FEEDMO
Cc1nc(C#N)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164839480	720642226	/nfs/dbraw/zinc/64/22/26/720642226.db2.gz	NKJSQFSSYPLJNZ-BHIYHBOVSA-N	1	1	365.485	2.231	20	30		FEEDMO
N#Cc1cnc(Cl)cc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164870886	721052691	/nfs/dbraw/zinc/05/26/91/721052691.db2.gz	WZQQWQAZUBVRGX-IRXDYDNUSA-N	1	1	369.856	2.481	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(Cl)cc4C#N)C[C@H]3C2)cn1	ZINC001164766846	721175341	/nfs/dbraw/zinc/17/53/41/721175341.db2.gz	JHOUGPAKOSHTJO-GDBMZVCRSA-N	1	1	356.861	2.298	20	30		FEEDMO
Cc1nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1CC#N	ZINC001164769274	721210192	/nfs/dbraw/zinc/21/01/92/721210192.db2.gz	LWTLEDPGGRLTCL-RTBURBONSA-N	1	1	350.470	2.148	20	30		FEEDMO
N#Cc1cc2c(nc1N1C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C1)CCOC2	ZINC001164780798	721433578	/nfs/dbraw/zinc/43/35/78/721433578.db2.gz	AHAFNTWNAJEHAZ-HOTGVXAUSA-N	1	1	367.478	2.051	20	30		FEEDMO
N#Cc1c(Cl)ncnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164897116	721520178	/nfs/dbraw/zinc/52/01/78/721520178.db2.gz	DSHHFENLLMTUJW-DZGCQCFKSA-N	1	1	373.819	2.483	20	30		FEEDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(CC#N)ccn2)[C@H]2CCCO[C@@H]12	ZINC001164805725	721568028	/nfs/dbraw/zinc/56/80/28/721568028.db2.gz	OPKPBGJNHKHWAD-QKNQBKEWSA-N	1	1	363.465	2.411	20	30		FEEDMO
C=CC[NH+]1CCN(c2ncc3c(n2)N(C2CCCC2)[C@@H](CC)C(=O)N3)CC1	ZINC001165031697	721866772	/nfs/dbraw/zinc/86/67/72/721866772.db2.gz	QSLOEBUTEHCBQR-KRWDZBQOSA-N	1	1	370.501	2.264	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Nc2ccn(CCC#N)n2)cc1	ZINC000528988774	829657729	/nfs/dbraw/zinc/65/77/29/829657729.db2.gz	ZQDXOHJWXXTMTD-INIZCTEOSA-N	1	1	368.441	2.201	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Nc2ccn(CCC#N)n2)cc1	ZINC000528988774	829657733	/nfs/dbraw/zinc/65/77/33/829657733.db2.gz	ZQDXOHJWXXTMTD-INIZCTEOSA-N	1	1	368.441	2.201	20	30		FEEDMO
C#CCOc1ccc(Br)cc1C[NH2+][C@@H](C)C(=O)NCCF	ZINC000800292008	674038755	/nfs/dbraw/zinc/03/87/55/674038755.db2.gz	IYDAISVKLCUWPC-NSHDSACASA-N	1	1	357.223	2.025	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC(F)F)c(OC)c1	ZINC000024371742	539730260	/nfs/dbraw/zinc/73/02/60/539730260.db2.gz	YQBWOLDMBXYSMZ-NSHDSACASA-N	1	1	371.384	2.129	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1	ZINC000024371742	539730263	/nfs/dbraw/zinc/73/02/63/539730263.db2.gz	YQBWOLDMBXYSMZ-NSHDSACASA-N	1	1	371.384	2.129	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)c1	ZINC000026833013	539794030	/nfs/dbraw/zinc/79/40/30/539794030.db2.gz	TVZVCKKAXOEXIO-UHFFFAOYSA-N	1	1	355.463	2.285	20	30		FEEDMO
C=CCNC(=O)[C@@H](C)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1	ZINC000027542552	539809100	/nfs/dbraw/zinc/80/91/00/539809100.db2.gz	NOELUEKPRKVEAG-OAHLLOKOSA-N	1	1	351.878	2.027	20	30		FEEDMO
N#Cc1ccnc(N2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)c1	ZINC000029448514	539854493	/nfs/dbraw/zinc/85/44/93/539854493.db2.gz	FBXRZEDJVUFFJR-QGZVFWFLSA-N	1	1	372.856	2.169	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](c1ccco1)[NH+](C)C	ZINC000029256471	539848759	/nfs/dbraw/zinc/84/87/59/539848759.db2.gz	XQQKMHRVASEUMF-QGZVFWFLSA-N	1	1	357.458	2.358	20	30		FEEDMO
CC(C)N(C)C(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000030271744	539876794	/nfs/dbraw/zinc/87/67/94/539876794.db2.gz	HIXRARXOAUOXFP-HNNXBMFYSA-N	1	1	356.470	2.464	20	30		FEEDMO
CN(C(=O)C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1)C1(C#N)CCCCC1	ZINC000044595489	540132905	/nfs/dbraw/zinc/13/29/05/540132905.db2.gz	QONVIQKBZLUIDH-UHFFFAOYSA-N	1	1	368.481	2.435	20	30		FEEDMO
CN(C(=O)C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1)C1(C#N)CCCCC1	ZINC000044595489	540132908	/nfs/dbraw/zinc/13/29/08/540132908.db2.gz	QONVIQKBZLUIDH-UHFFFAOYSA-N	1	1	368.481	2.435	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1	ZINC000046048521	540239035	/nfs/dbraw/zinc/23/90/35/540239035.db2.gz	XKRJIGMSHUUJJE-LPHOPBHVSA-N	1	1	357.454	2.039	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000046086810	540241686	/nfs/dbraw/zinc/24/16/86/540241686.db2.gz	RYMYVBNSXLWUKE-HXUWFJFHSA-N	1	1	353.470	2.125	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCN(c2ccccc2C#N)CC1	ZINC000046086810	540241689	/nfs/dbraw/zinc/24/16/89/540241689.db2.gz	RYMYVBNSXLWUKE-HXUWFJFHSA-N	1	1	353.470	2.125	20	30		FEEDMO
C[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1	ZINC000046528508	540261205	/nfs/dbraw/zinc/26/12/05/540261205.db2.gz	XERMPYNOBTXDOY-UHFFFAOYSA-N	1	1	366.377	2.067	20	30		FEEDMO
C[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1	ZINC000046528508	540261207	/nfs/dbraw/zinc/26/12/07/540261207.db2.gz	XERMPYNOBTXDOY-UHFFFAOYSA-N	1	1	366.377	2.067	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](CCOc2ccc3ccccc3c2)CC1	ZINC000047461645	540312853	/nfs/dbraw/zinc/31/28/53/540312853.db2.gz	PDWWTBWURATNGU-UHFFFAOYSA-N	1	1	353.466	2.138	20	30		FEEDMO
N#Cc1ccnc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)c1	ZINC000047856954	540330959	/nfs/dbraw/zinc/33/09/59/540330959.db2.gz	HDEOQLSWHWRCMA-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1)[N@H+]1CCCC[C@@H]1C	ZINC000050112096	540400354	/nfs/dbraw/zinc/40/03/54/540400354.db2.gz	GXZNYTIURGSWGM-IRXDYDNUSA-N	1	1	370.501	2.048	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)c2ccccc2F)CC1	ZINC000052727993	540486306	/nfs/dbraw/zinc/48/63/06/540486306.db2.gz	ZTRISLGKBLHJCF-OAHLLOKOSA-N	1	1	374.460	2.028	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1	ZINC000055032844	540622810	/nfs/dbraw/zinc/62/28/10/540622810.db2.gz	YTESJXSUHONJPF-MRXNPFEDSA-N	1	1	371.485	2.281	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1Cc1ccc(CNS(=O)(=O)N(C)CCC#N)cc1	ZINC000056060057	540697794	/nfs/dbraw/zinc/69/77/94/540697794.db2.gz	GAXNFCNXJKTMNE-INIZCTEOSA-N	1	1	364.515	2.241	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1	ZINC000057176779	540776303	/nfs/dbraw/zinc/77/63/03/540776303.db2.gz	CDRYTTLAROFNFW-UHFFFAOYSA-N	1	1	357.473	2.252	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1	ZINC000057677075	540807273	/nfs/dbraw/zinc/80/72/73/540807273.db2.gz	ZLKRVZVRZIILBH-CQSZACIVSA-N	1	1	356.470	2.432	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3CC(C)(C)C)CC2)o1	ZINC000057863206	540820372	/nfs/dbraw/zinc/82/03/72/540820372.db2.gz	HSMCSPOIPFWEPU-MRXNPFEDSA-N	1	1	373.501	2.404	20	30		FEEDMO
CN1CC[N@@H+](CCCNC(=O)N2CCC(C#N)CC2)[C@@H](c2ccccc2)C1	ZINC000060990289	541124131	/nfs/dbraw/zinc/12/41/31/541124131.db2.gz	DOMALSJYAYXFFN-HXUWFJFHSA-N	1	1	369.513	2.310	20	30		FEEDMO
C[N@@H+]1CCN(CCCNC(=O)N2CCC(C#N)CC2)[C@@H](c2ccccc2)C1	ZINC000060990289	541124134	/nfs/dbraw/zinc/12/41/34/541124134.db2.gz	DOMALSJYAYXFFN-HXUWFJFHSA-N	1	1	369.513	2.310	20	30		FEEDMO
C[N@H+]1CCN(CCCNC(=O)N2CCC(C#N)CC2)[C@@H](c2ccccc2)C1	ZINC000060990289	541124137	/nfs/dbraw/zinc/12/41/37/541124137.db2.gz	DOMALSJYAYXFFN-HXUWFJFHSA-N	1	1	369.513	2.310	20	30		FEEDMO
CN(C)C(=O)c1cccc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)c1	ZINC000064634529	541214121	/nfs/dbraw/zinc/21/41/21/541214121.db2.gz	BUKQINJTPLGEDH-UHFFFAOYSA-N	1	1	363.465	2.367	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000066833207	541377637	/nfs/dbraw/zinc/37/76/37/541377637.db2.gz	CXPSPVGMPAHOQZ-CVEARBPZSA-N	1	1	373.453	2.215	20	30		FEEDMO
COC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1	ZINC000066833207	541377639	/nfs/dbraw/zinc/37/76/39/541377639.db2.gz	CXPSPVGMPAHOQZ-CVEARBPZSA-N	1	1	373.453	2.215	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1	ZINC000067525491	541474904	/nfs/dbraw/zinc/47/49/04/541474904.db2.gz	NHOWUDISIOVTLQ-ZWKOTPCHSA-N	1	1	357.454	2.323	20	30		FEEDMO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC[N@H+](C)C1CCCCC1	ZINC000068904194	541639273	/nfs/dbraw/zinc/63/92/73/541639273.db2.gz	CPBYGSFZBFOPRB-UHFFFAOYSA-N	1	1	358.486	2.177	20	30		FEEDMO
C[NH+]1CCN(CCCCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1	ZINC000069216121	541668462	/nfs/dbraw/zinc/66/84/62/541668462.db2.gz	HOACKBRODSCKRZ-UHFFFAOYSA-N	1	1	360.506	2.264	20	30		FEEDMO
C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[N@@H+](C)C1CC1	ZINC000069440490	541687150	/nfs/dbraw/zinc/68/71/50/541687150.db2.gz	RCKACKRYFWHKCI-GOEBONIOSA-N	1	1	373.476	2.448	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2CN2CCCCC2)cc1	ZINC000069607947	541699337	/nfs/dbraw/zinc/69/93/37/541699337.db2.gz	ILZRPEGMRDAYCE-UXHICEINSA-N	1	1	357.498	2.443	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2CN2CCCCC2)cc1	ZINC000069607947	541699340	/nfs/dbraw/zinc/69/93/40/541699340.db2.gz	ILZRPEGMRDAYCE-UXHICEINSA-N	1	1	357.498	2.443	20	30		FEEDMO
N#Cc1cccc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)c1	ZINC000070882459	541748437	/nfs/dbraw/zinc/74/84/37/541748437.db2.gz	FNMIABDULZLSFP-UHFFFAOYSA-N	1	1	364.449	2.318	20	30		FEEDMO
N#Cc1ccc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)cc1	ZINC000070882084	541748640	/nfs/dbraw/zinc/74/86/40/541748640.db2.gz	GVLXKLVKGLQCEA-UHFFFAOYSA-N	1	1	364.449	2.318	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1	ZINC000550972773	674118303	/nfs/dbraw/zinc/11/83/03/674118303.db2.gz	ADQXGKOLSNHUOB-UHFFFAOYSA-N	1	1	360.483	2.234	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)CC[C@H](C)O)c1C#N	ZINC000072714549	541855346	/nfs/dbraw/zinc/85/53/46/541855346.db2.gz	NLQFSZMEEGYHQI-ZDUSSCGKSA-N	1	1	358.442	2.259	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CC[C@H](C)O)c1C#N	ZINC000072714549	541855348	/nfs/dbraw/zinc/85/53/48/541855348.db2.gz	NLQFSZMEEGYHQI-ZDUSSCGKSA-N	1	1	358.442	2.259	20	30		FEEDMO
CC[C@H](CO)[NH+]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1	ZINC000072797827	541867115	/nfs/dbraw/zinc/86/71/15/541867115.db2.gz	KKPMOYCOPHWYAX-QGZVFWFLSA-N	1	1	368.481	2.126	20	30		FEEDMO
C[NH+](C)CCN1CCC(CNC(=O)CSc2ccc(C#N)cc2)CC1	ZINC000074138548	542042738	/nfs/dbraw/zinc/04/27/38/542042738.db2.gz	WYRAPHMAXPBTCK-UHFFFAOYSA-N	1	1	360.527	2.040	20	30		FEEDMO
CN(C(=O)C[N@H+](C)C[C@H](O)COCc1ccccc1)C1(C#N)CCCCC1	ZINC000074289583	542063904	/nfs/dbraw/zinc/06/39/04/542063904.db2.gz	SJKILVVRMBTSNA-IBGZPJMESA-N	1	1	373.497	2.181	20	30		FEEDMO
CN(C(=O)C[N@@H+](C)C[C@H](O)COCc1ccccc1)C1(C#N)CCCCC1	ZINC000074289583	542063909	/nfs/dbraw/zinc/06/39/09/542063909.db2.gz	SJKILVVRMBTSNA-IBGZPJMESA-N	1	1	373.497	2.181	20	30		FEEDMO
N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1	ZINC000076983889	542338853	/nfs/dbraw/zinc/33/88/53/542338853.db2.gz	JFYCQMDGJBPEMV-SFHVURJKSA-N	1	1	367.497	2.407	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CC(N)=O)CC1	ZINC000077168653	542349935	/nfs/dbraw/zinc/34/99/35/542349935.db2.gz	AOCVLCPBZOPXPX-CQSZACIVSA-N	1	1	360.433	2.048	20	30		FEEDMO
CC(C)[C@H](CNC(=O)[C@H](Oc1ccccc1C#N)C(C)C)[NH+]1CCOCC1	ZINC000080326240	542584553	/nfs/dbraw/zinc/58/45/53/542584553.db2.gz	MNVLPLUVDBDJNB-AZUAARDMSA-N	1	1	373.497	2.435	20	30		FEEDMO
N#Cc1ccc(F)c(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1	ZINC000080776976	542607630	/nfs/dbraw/zinc/60/76/30/542607630.db2.gz	YUSQOZBIBFPWTJ-IBGZPJMESA-N	1	1	353.397	2.215	20	30		FEEDMO
N#Cc1ccc(F)c(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1	ZINC000080776976	542607636	/nfs/dbraw/zinc/60/76/36/542607636.db2.gz	YUSQOZBIBFPWTJ-IBGZPJMESA-N	1	1	353.397	2.215	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC#N)CCC#N)[C@@H]1CCCN(c2ccccc2)C1	ZINC000081013576	542624142	/nfs/dbraw/zinc/62/41/42/542624142.db2.gz	NUOHZANNHDHANQ-LJQANCHMSA-N	1	1	353.470	2.243	20	30		FEEDMO
N#CCN1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1	ZINC000081422703	542656794	/nfs/dbraw/zinc/65/67/94/542656794.db2.gz	APBBDLDUNOWWRK-UHFFFAOYSA-N	1	1	362.477	2.357	20	30		FEEDMO
CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000088562259	542752689	/nfs/dbraw/zinc/75/26/89/542752689.db2.gz	DHSCAGCZVZRNOY-SFHVURJKSA-N	1	1	353.470	2.373	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1	ZINC000090682628	542788173	/nfs/dbraw/zinc/78/81/73/542788173.db2.gz	LVZRJWCIGFANSC-MOPGFXCFSA-N	1	1	359.445	2.224	20	30		FEEDMO
C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1	ZINC000090682628	542788176	/nfs/dbraw/zinc/78/81/76/542788176.db2.gz	LVZRJWCIGFANSC-MOPGFXCFSA-N	1	1	359.445	2.224	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](Cc2ccc(F)cc2)C2CC2)CC1	ZINC000092616710	542875579	/nfs/dbraw/zinc/87/55/79/542875579.db2.gz	LMUVEQNIRDRNTG-HXUWFJFHSA-N	1	1	372.488	2.482	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](Cc2ccc(F)cc2)C2CC2)CC1	ZINC000092616710	542875582	/nfs/dbraw/zinc/87/55/82/542875582.db2.gz	LMUVEQNIRDRNTG-HXUWFJFHSA-N	1	1	372.488	2.482	20	30		FEEDMO
N#Cc1ccc2nc(NCC[NH+]3CCN(c4ncccn4)CC3)ccc2c1	ZINC000092891259	542893722	/nfs/dbraw/zinc/89/37/22/542893722.db2.gz	YNHLCZQPYUKLMF-UHFFFAOYSA-N	1	1	359.437	2.131	20	30		FEEDMO
Cc1sc2nc(C[N@@H+](C)CCCc3[nH]nc(N)c3C#N)nc(N)c2c1C	ZINC000093217216	542918044	/nfs/dbraw/zinc/91/80/44/542918044.db2.gz	RNEWSRWMOKEQFY-UHFFFAOYSA-N	1	1	370.486	2.132	20	30		FEEDMO
Cc1nc(CN2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)no1	ZINC000093274028	542922729	/nfs/dbraw/zinc/92/27/29/542922729.db2.gz	NXBDNJPIJZLPRK-UHFFFAOYSA-N	1	1	355.442	2.378	20	30		FEEDMO
COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1	ZINC000093298061	542924434	/nfs/dbraw/zinc/92/44/34/542924434.db2.gz	QAGGLGCUMHEFPK-MSOLQXFVSA-N	1	1	374.481	2.404	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000093318714	542925834	/nfs/dbraw/zinc/92/58/34/542925834.db2.gz	DGDNYOOAKBMWOE-AWEZNQCLSA-N	1	1	370.375	2.316	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1	ZINC000093318714	542925835	/nfs/dbraw/zinc/92/58/35/542925835.db2.gz	DGDNYOOAKBMWOE-AWEZNQCLSA-N	1	1	370.375	2.316	20	30		FEEDMO
CCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000101913581	543049251	/nfs/dbraw/zinc/04/92/51/543049251.db2.gz	ZCMNXURWIUIFBQ-IEBWSBKVSA-N	1	1	368.481	2.292	20	30		FEEDMO
CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000101913581	543049254	/nfs/dbraw/zinc/04/92/54/543049254.db2.gz	ZCMNXURWIUIFBQ-IEBWSBKVSA-N	1	1	368.481	2.292	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1F	ZINC000102962206	543086932	/nfs/dbraw/zinc/08/69/32/543086932.db2.gz	CTLRQVQULAPCLX-INIZCTEOSA-N	1	1	370.384	2.182	20	30		FEEDMO
Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@H]2CC(N)=O)c1C	ZINC000103286617	543101329	/nfs/dbraw/zinc/10/13/29/543101329.db2.gz	YFZIUDNVPMNCCX-KRWDZBQOSA-N	1	1	356.470	2.280	20	30		FEEDMO
CN1CCN(c2ccc(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)cn2)CC1	ZINC000104159427	543125362	/nfs/dbraw/zinc/12/53/62/543125362.db2.gz	LXJOQUWMXWUHFB-UHFFFAOYSA-N	1	1	364.497	2.249	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(N2CCCC2=O)CC1	ZINC000104727741	543139270	/nfs/dbraw/zinc/13/92/70/543139270.db2.gz	WZAKHGBHJXAUIP-BATSVXPKSA-N	1	1	374.529	2.393	20	30		FEEDMO
CCOCC[NH+]1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)CC1	ZINC000106105246	543198401	/nfs/dbraw/zinc/19/84/01/543198401.db2.gz	XMWJWKDYLGLIKA-UHFFFAOYSA-N	1	1	372.513	2.204	20	30		FEEDMO
C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000106863799	543251045	/nfs/dbraw/zinc/25/10/45/543251045.db2.gz	JSQAAWPYZMOLIR-PBHICJAKSA-N	1	1	368.399	2.408	20	30		FEEDMO
COc1cc(C[N@H+](C)CC(=O)NCC#N)ccc1OCc1ccccc1	ZINC000108850959	543305730	/nfs/dbraw/zinc/30/57/30/543305730.db2.gz	KSJLLIPHZRGUJE-UHFFFAOYSA-N	1	1	353.422	2.346	20	30		FEEDMO
COc1cc(C[N@@H+](C)CC(=O)NCC#N)ccc1OCc1ccccc1	ZINC000108850959	543305731	/nfs/dbraw/zinc/30/57/31/543305731.db2.gz	KSJLLIPHZRGUJE-UHFFFAOYSA-N	1	1	353.422	2.346	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(c2ncccc2C#N)CC1	ZINC000119989579	543673791	/nfs/dbraw/zinc/67/37/91/543673791.db2.gz	IOMDHASLILRKAJ-UHFFFAOYSA-N	1	1	366.450	2.037	20	30		FEEDMO
C#CCOc1ccc(F)cc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000120191889	543676836	/nfs/dbraw/zinc/67/68/36/543676836.db2.gz	AAHNCFZFBPTCHB-HNNXBMFYSA-N	1	1	361.417	2.024	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1	ZINC000121972001	543701905	/nfs/dbraw/zinc/70/19/05/543701905.db2.gz	VRKRVDWZZOHGTM-CRAIPNDOSA-N	1	1	368.481	2.369	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)NC1CC[NH+](CCN(C)C)CC1	ZINC000123819215	543784739	/nfs/dbraw/zinc/78/47/39/543784739.db2.gz	RYFFCMVPFLEJAA-UHFFFAOYSA-N	1	1	350.532	2.472	20	30		FEEDMO
CC(C)c1[nH+]ccn1CC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1	ZINC000123591340	543771554	/nfs/dbraw/zinc/77/15/54/543771554.db2.gz	YTRDDDRNWDBEPJ-GOSISDBHSA-N	1	1	351.454	2.416	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[N@@H+]1C1CC1	ZINC000124070134	543799634	/nfs/dbraw/zinc/79/96/34/543799634.db2.gz	VZCJNNAVYHMURQ-JQWIXIFHSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)C[N@H+]1C1CC1	ZINC000124070134	543799637	/nfs/dbraw/zinc/79/96/37/543799637.db2.gz	VZCJNNAVYHMURQ-JQWIXIFHSA-N	1	1	373.400	2.481	20	30		FEEDMO
C[N@H+](CCNS(=O)(=O)c1ccc(F)cc1C#N)Cc1ccc(F)cc1	ZINC000124978928	543854794	/nfs/dbraw/zinc/85/47/94/543854794.db2.gz	DWHFRWUNYWFNKO-UHFFFAOYSA-N	1	1	365.405	2.247	20	30		FEEDMO
C[N@@H+](CCNS(=O)(=O)c1ccc(F)cc1C#N)Cc1ccc(F)cc1	ZINC000124978928	543854796	/nfs/dbraw/zinc/85/47/96/543854796.db2.gz	DWHFRWUNYWFNKO-UHFFFAOYSA-N	1	1	365.405	2.247	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125476093	543884077	/nfs/dbraw/zinc/88/40/77/543884077.db2.gz	YKYGFMJOGXEOAY-LLVKDONJSA-N	1	1	360.849	2.409	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H](C)CCC[C@@H]3C)CC2)o1	ZINC000125440006	543882248	/nfs/dbraw/zinc/88/22/48/543882248.db2.gz	TVBUDMAUFQQEBP-GJZGRUSLSA-N	1	1	359.474	2.014	20	30		FEEDMO
Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000125449546	543882496	/nfs/dbraw/zinc/88/24/96/543882496.db2.gz	WTGVXMYCTILRQD-UHFFFAOYSA-N	1	1	360.849	2.329	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)CC1	ZINC000126089573	543917915	/nfs/dbraw/zinc/91/79/15/543917915.db2.gz	WVBCVNCHKBRYBG-UHFFFAOYSA-N	1	1	350.422	2.437	20	30		FEEDMO
N#Cc1cnc(N2CCC[N@@H+](Cc3cn4cc(Cl)ccc4n3)CC2)cn1	ZINC000126252293	543926259	/nfs/dbraw/zinc/92/62/59/543926259.db2.gz	OMMWZEWESAOLLM-UHFFFAOYSA-N	1	1	367.844	2.362	20	30		FEEDMO
N#Cc1cnc(N2CCC[N@H+](Cc3cn4cc(Cl)ccc4n3)CC2)cn1	ZINC000126252293	543926261	/nfs/dbraw/zinc/92/62/61/543926261.db2.gz	OMMWZEWESAOLLM-UHFFFAOYSA-N	1	1	367.844	2.362	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCC[C@@H](NC(C)=O)C1)[C@@H](C)c1ccc(C#N)cc1	ZINC000125747088	543899209	/nfs/dbraw/zinc/89/92/09/543899209.db2.gz	WLOSGZDXUOXYCA-HNAYVOBHSA-N	1	1	356.470	2.068	20	30		FEEDMO
C=CCCOCCNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000127231191	543979870	/nfs/dbraw/zinc/97/98/70/543979870.db2.gz	BICPRBPVYWGXEB-CALCHBBNSA-N	1	1	353.507	2.110	20	30		FEEDMO
C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC[C@@H]21	ZINC000126880792	543961573	/nfs/dbraw/zinc/96/15/73/543961573.db2.gz	ZHNXUOFSMDFREK-DOMZBBRYSA-N	1	1	353.875	2.316	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1CC(F)(F)F	ZINC000128116292	544033299	/nfs/dbraw/zinc/03/32/99/544033299.db2.gz	OZXFVDDCSVVZNG-CYBMUJFWSA-N	1	1	354.376	2.455	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1CC(F)(F)F	ZINC000128116292	544033303	/nfs/dbraw/zinc/03/33/03/544033303.db2.gz	OZXFVDDCSVVZNG-CYBMUJFWSA-N	1	1	354.376	2.455	20	30		FEEDMO
N#CCc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1	ZINC000129413744	544110587	/nfs/dbraw/zinc/11/05/87/544110587.db2.gz	CKAVEWAGNTXRAQ-RXVVDRJESA-N	1	1	352.434	2.084	20	30		FEEDMO
N#CCCN(Cc1ccco1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000132347641	544228087	/nfs/dbraw/zinc/22/80/87/544228087.db2.gz	LWAUYXRGFGNEED-LJQANCHMSA-N	1	1	353.422	2.423	20	30		FEEDMO
N#CCCN(Cc1ccco1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000132347641	544228090	/nfs/dbraw/zinc/22/80/90/544228090.db2.gz	LWAUYXRGFGNEED-LJQANCHMSA-N	1	1	353.422	2.423	20	30		FEEDMO
C=C[C@H](C)NC(=O)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1	ZINC000133930133	544288288	/nfs/dbraw/zinc/28/82/88/544288288.db2.gz	MFKBYVYKHMQWGJ-HNNXBMFYSA-N	1	1	372.469	2.049	20	30		FEEDMO
N#CC1(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)CCC1	ZINC000134632305	544316211	/nfs/dbraw/zinc/31/62/11/544316211.db2.gz	ZDEWZSYIEPSMPM-UHFFFAOYSA-N	1	1	354.498	2.394	20	30		FEEDMO
CC1CC[NH+](CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)CC1	ZINC000135529190	544350812	/nfs/dbraw/zinc/35/08/12/544350812.db2.gz	ULJXCDODCYOKME-QGZVFWFLSA-N	1	1	372.494	2.130	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1)C1CC1	ZINC000137278065	544387627	/nfs/dbraw/zinc/38/76/27/544387627.db2.gz	ZAGGPSXLCJERSP-HXUWFJFHSA-N	1	1	354.454	2.146	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCCCO3)CC2)cc1	ZINC000139406797	544402221	/nfs/dbraw/zinc/40/22/21/544402221.db2.gz	BWGRIMPTKYBXAA-IBGZPJMESA-N	1	1	356.470	2.345	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)NS(=O)(=O)c2ccc(C#N)nc2)cc1	ZINC000152209897	544625871	/nfs/dbraw/zinc/62/58/71/544625871.db2.gz	IRTOZBAPKSEJHU-CYBMUJFWSA-N	1	1	367.434	2.487	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](O)C2)c1C#N	ZINC000152671302	544681313	/nfs/dbraw/zinc/68/13/13/544681313.db2.gz	GGOCFFARWXUFMJ-OAHLLOKOSA-N	1	1	356.426	2.013	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000152870040	544705215	/nfs/dbraw/zinc/70/52/15/544705215.db2.gz	KYOFAHJVGMECDP-HNNXBMFYSA-N	1	1	362.424	2.079	20	30		FEEDMO
CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000153275474	544755126	/nfs/dbraw/zinc/75/51/26/544755126.db2.gz	YECGJFVYXPMPHC-HNNXBMFYSA-N	1	1	368.485	2.165	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)Nc1ccc(F)cc1Cl	ZINC000153340359	544763033	/nfs/dbraw/zinc/76/30/33/544763033.db2.gz	FWOKCKGBKAWJPM-UHFFFAOYSA-N	1	1	364.812	2.159	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C	ZINC000154413522	544902762	/nfs/dbraw/zinc/90/27/62/544902762.db2.gz	BWTBZSBYTSAUHL-HOTGVXAUSA-N	1	1	372.469	2.249	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1	ZINC000155205873	545002117	/nfs/dbraw/zinc/00/21/17/545002117.db2.gz	KEZCUGZZAAAZCB-VQTJNVASSA-N	1	1	371.481	2.061	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1	ZINC000155205873	545002122	/nfs/dbraw/zinc/00/21/22/545002122.db2.gz	KEZCUGZZAAAZCB-VQTJNVASSA-N	1	1	371.481	2.061	20	30		FEEDMO
C=CCN(C(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(C)C	ZINC000803221389	674229077	/nfs/dbraw/zinc/22/90/77/674229077.db2.gz	YBMPUEDNBXOEAU-INIZCTEOSA-N	1	1	363.527	2.499	20	30		FEEDMO
CC(C)[C@H](C(=O)O[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)C	ZINC000803492083	674245798	/nfs/dbraw/zinc/24/57/98/674245798.db2.gz	BMRPBLGIPSTVEL-YJTLQXIOSA-N	1	1	351.491	2.435	20	30		FEEDMO
C[NH+](C)C[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)c1ccc(F)cc1	ZINC000553547928	674269866	/nfs/dbraw/zinc/26/98/66/674269866.db2.gz	RVVKEFVAEUCNRW-MRXNPFEDSA-N	1	1	353.463	2.432	20	30		FEEDMO
CCOC(=O)C1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182628611	327782773	/nfs/dbraw/zinc/78/27/73/327782773.db2.gz	LLENRPXIBLADAV-GOSISDBHSA-N	1	1	355.438	2.329	20	30		FEEDMO
CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(C#N)cs1	ZINC000188071982	328063955	/nfs/dbraw/zinc/06/39/55/328063955.db2.gz	VEASYUXSJKCQJL-LJQANCHMSA-N	1	1	355.463	2.329	20	30		FEEDMO
C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)C[C@H]2C1	ZINC000192474056	328320818	/nfs/dbraw/zinc/32/08/18/328320818.db2.gz	CCQNFHUSBJXEMS-IYBDPMFKSA-N	1	1	351.406	2.364	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)c3ccnc(C#N)c3)CC2)oc1C	ZINC000193236890	328364313	/nfs/dbraw/zinc/36/43/13/328364313.db2.gz	QUCVLLBCVIZTRU-UHFFFAOYSA-N	1	1	353.426	2.200	20	30		FEEDMO
N#Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1	ZINC000088775437	325300768	/nfs/dbraw/zinc/30/07/68/325300768.db2.gz	LUXUNRBDDICOIR-CYBMUJFWSA-N	1	1	360.845	2.283	20	30		FEEDMO
Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N	ZINC000089943753	325344290	/nfs/dbraw/zinc/34/42/90/325344290.db2.gz	HYRLHNBHBFHNLP-HUUCEWRRSA-N	1	1	368.485	2.302	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1	ZINC000090463500	325359645	/nfs/dbraw/zinc/35/96/45/325359645.db2.gz	RNHWOROMNFEXEW-QUCCMNQESA-N	1	1	371.481	2.477	20	30		FEEDMO
N#Cc1cccc(OCCCCC(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1	ZINC000090463500	325359647	/nfs/dbraw/zinc/35/96/47/325359647.db2.gz	RNHWOROMNFEXEW-QUCCMNQESA-N	1	1	371.481	2.477	20	30		FEEDMO
C[C@@H](CNS(=O)(=O)Cc1cc(C#N)ccc1F)[N@H+]1CCC[C@H](C)C1	ZINC000120735283	326283627	/nfs/dbraw/zinc/28/36/27/326283627.db2.gz	CRNOYSXDZMFKNC-KBPBESRZSA-N	1	1	353.463	2.237	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000121334919	326330647	/nfs/dbraw/zinc/33/06/47/326330647.db2.gz	SXCHWPFGNNFLMN-UHFFFAOYSA-N	1	1	363.465	2.403	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nn1C	ZINC000122099073	326383741	/nfs/dbraw/zinc/38/37/41/326383741.db2.gz	QQJZWGWWZOMFPL-UHFFFAOYSA-N	1	1	352.442	2.340	20	30		FEEDMO
Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nn1C	ZINC000122099073	326383743	/nfs/dbraw/zinc/38/37/43/326383743.db2.gz	QQJZWGWWZOMFPL-UHFFFAOYSA-N	1	1	352.442	2.340	20	30		FEEDMO
C[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)C[NH+]1CCOCC1	ZINC000153588955	326737030	/nfs/dbraw/zinc/73/70/30/326737030.db2.gz	IBFSXQYRRJAPJO-GFCCVEGCSA-N	1	1	368.384	2.249	20	30		FEEDMO
CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000162776177	327034468	/nfs/dbraw/zinc/03/44/68/327034468.db2.gz	CQOMEOSUYZLWDV-MRXNPFEDSA-N	1	1	353.463	2.381	20	30		FEEDMO
CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)c1ccsc1	ZINC000170661805	327091978	/nfs/dbraw/zinc/09/19/78/327091978.db2.gz	DTQHINYEVIKPKP-INIZCTEOSA-N	1	1	364.496	2.376	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+](CCC(N)=O)Cc3ccccc3)o2)cc1	ZINC000175515256	327397172	/nfs/dbraw/zinc/39/71/72/327397172.db2.gz	FJRHSTQNUYSULY-UHFFFAOYSA-N	1	1	361.405	2.486	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@H+](CCC(N)=O)Cc3ccccc3)o2)cc1	ZINC000175515256	327397174	/nfs/dbraw/zinc/39/71/74/327397174.db2.gz	FJRHSTQNUYSULY-UHFFFAOYSA-N	1	1	361.405	2.486	20	30		FEEDMO
N#Cc1ccc([C@H](O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000177986004	327556999	/nfs/dbraw/zinc/55/69/99/327556999.db2.gz	IERWXHYZFFRVHQ-LJQANCHMSA-N	1	1	352.394	2.322	20	30		FEEDMO
N#Cc1ccc(C[NH2+]Cc2ccccc2OCC(=O)NC[C@H]2CCCO2)o1	ZINC000266241928	329203888	/nfs/dbraw/zinc/20/38/88/329203888.db2.gz	XFWYBRIHKGPGSZ-QGZVFWFLSA-N	1	1	369.421	2.115	20	30		FEEDMO
N#Cc1ccc(C[NH2+]Cc2ccccc2OCC(=O)NC[C@@H]2CCCO2)o1	ZINC000266241926	329203974	/nfs/dbraw/zinc/20/39/74/329203974.db2.gz	XFWYBRIHKGPGSZ-KRWDZBQOSA-N	1	1	369.421	2.115	20	30		FEEDMO
CCc1nnc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C#N)c1CC	ZINC000268162909	329392102	/nfs/dbraw/zinc/39/21/02/329392102.db2.gz	ILDXSBNAMSQUFK-INIZCTEOSA-N	1	1	356.518	2.079	20	30		FEEDMO
COCCOc1ccc(C#N)cc1NC(=O)NCCCn1cc[nH+]c1C	ZINC000273143919	329840596	/nfs/dbraw/zinc/84/05/96/329840596.db2.gz	ZDNXBXOGIPUBCH-UHFFFAOYSA-N	1	1	357.414	2.300	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)CC2)o1	ZINC000276470133	330155435	/nfs/dbraw/zinc/15/54/35/330155435.db2.gz	QFAJOBCYHKUTQY-WMZOPIPTSA-N	1	1	371.485	2.014	20	30		FEEDMO
N#Cc1ccc(OCCNC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1	ZINC000361448584	330204166	/nfs/dbraw/zinc/20/41/66/330204166.db2.gz	BAITVGLYNVHFDX-YTQUADARSA-N	1	1	354.454	2.063	20	30		FEEDMO
C[C@H](CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCOCC1	ZINC000416697185	330261412	/nfs/dbraw/zinc/26/14/12/330261412.db2.gz	VJCPEMDZPUEVJX-BEFAXECRSA-N	1	1	356.470	2.203	20	30		FEEDMO
CC[C@@H](COC)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1	ZINC000328633041	522574872	/nfs/dbraw/zinc/57/48/72/522574872.db2.gz	SHUBRDLRTMLJKQ-BHYGNILZSA-N	1	1	351.495	2.074	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](CO)C2)c1C#N	ZINC000156182541	545605472	/nfs/dbraw/zinc/60/54/72/545605472.db2.gz	GFCCTLCISZZOCH-MRXNPFEDSA-N	1	1	370.453	2.261	20	30		FEEDMO
CCc1ccc(C[NH+]2CCN(CC(=O)N(CC)C[C@H](C)C#N)CC2)s1	ZINC000156814055	545663918	/nfs/dbraw/zinc/66/39/18/545663918.db2.gz	YAPYKRXWLIPCNY-MRXNPFEDSA-N	1	1	362.543	2.436	20	30		FEEDMO
CCN(C[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1)CC(F)(F)F	ZINC000477716492	561151907	/nfs/dbraw/zinc/15/19/07/561151907.db2.gz	LEJYGBPWUMHKET-GOEBONIOSA-N	1	1	368.403	2.291	20	30		FEEDMO
CCN(C[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1)CC(F)(F)F	ZINC000477716492	561151908	/nfs/dbraw/zinc/15/19/08/561151908.db2.gz	LEJYGBPWUMHKET-GOEBONIOSA-N	1	1	368.403	2.291	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1	ZINC000157910819	545798502	/nfs/dbraw/zinc/79/85/02/545798502.db2.gz	SPVGWSYSKSQRSE-HBMCJLEFSA-N	1	1	352.434	2.416	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc1	ZINC000157910819	545798508	/nfs/dbraw/zinc/79/85/08/545798508.db2.gz	SPVGWSYSKSQRSE-HBMCJLEFSA-N	1	1	352.434	2.416	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1C#N	ZINC000160178449	546014882	/nfs/dbraw/zinc/01/48/82/546014882.db2.gz	DXIRAVPWIYBYJO-OAHLLOKOSA-N	1	1	372.469	2.275	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1cc(C#N)ccc1F	ZINC000160212262	546017980	/nfs/dbraw/zinc/01/79/80/546017980.db2.gz	OKYVSTYGTDFVPG-AWEZNQCLSA-N	1	1	353.463	2.381	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1	ZINC000160220866	546019047	/nfs/dbraw/zinc/01/90/47/546019047.db2.gz	UFINUYUQAWCKEG-INIZCTEOSA-N	1	1	359.470	2.142	20	30		FEEDMO
C=CCN(CCOC)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000478786437	561174749	/nfs/dbraw/zinc/17/47/49/561174749.db2.gz	JCOIHFRBDDJGFG-HXUWFJFHSA-N	1	1	374.529	2.209	20	30		FEEDMO
C=CCN(CCOC)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000478786437	561174750	/nfs/dbraw/zinc/17/47/50/561174750.db2.gz	JCOIHFRBDDJGFG-HXUWFJFHSA-N	1	1	374.529	2.209	20	30		FEEDMO
C=CCN(CCOC)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1	ZINC000478786437	561174751	/nfs/dbraw/zinc/17/47/51/561174751.db2.gz	JCOIHFRBDDJGFG-HXUWFJFHSA-N	1	1	374.529	2.209	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1	ZINC000171115307	546191689	/nfs/dbraw/zinc/19/16/89/546191689.db2.gz	RDPQPALQVYCEKY-IYBDPMFKSA-N	1	1	370.497	2.161	20	30		FEEDMO
C=CCSCCNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000171258350	546200341	/nfs/dbraw/zinc/20/03/41/546200341.db2.gz	NJSPFJGXCYOXKS-IYBDPMFKSA-N	1	1	355.548	2.436	20	30		FEEDMO
C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)NCCCCC#N)C[C@H](C)O1	ZINC000171474438	546210514	/nfs/dbraw/zinc/21/05/14/546210514.db2.gz	VWIAYFNLJBFQBO-HOTGVXAUSA-N	1	1	372.469	2.044	20	30		FEEDMO
CC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1	ZINC000479564410	561192008	/nfs/dbraw/zinc/19/20/08/561192008.db2.gz	FYSDTSHULXGLKK-GOSISDBHSA-N	1	1	365.433	2.336	20	30		FEEDMO
CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1	ZINC000479564410	561192009	/nfs/dbraw/zinc/19/20/09/561192009.db2.gz	FYSDTSHULXGLKK-GOSISDBHSA-N	1	1	365.433	2.336	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000173727360	546285820	/nfs/dbraw/zinc/28/58/20/546285820.db2.gz	AMSVDBDRIRXOES-OAHLLOKOSA-N	1	1	374.510	2.431	20	30		FEEDMO
C=CCSCCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1	ZINC000176242371	546424086	/nfs/dbraw/zinc/42/40/86/546424086.db2.gz	NECGUPGBAFZBRQ-KRWDZBQOSA-N	1	1	362.543	2.416	20	30		FEEDMO
N#CCCN(CC1CC1)C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1	ZINC000176332961	546433362	/nfs/dbraw/zinc/43/33/62/546433362.db2.gz	NSARLBUWEXRTFA-SFHVURJKSA-N	1	1	369.469	2.294	20	30		FEEDMO
N#CCCN(CC1CC1)C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1	ZINC000176332961	546433364	/nfs/dbraw/zinc/43/33/64/546433364.db2.gz	NSARLBUWEXRTFA-SFHVURJKSA-N	1	1	369.469	2.294	20	30		FEEDMO
CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N	ZINC000176367043	546436787	/nfs/dbraw/zinc/43/67/87/546436787.db2.gz	XPUFXXOOWMVHDP-KBPBESRZSA-N	1	1	362.499	2.191	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1	ZINC000177064421	546536748	/nfs/dbraw/zinc/53/67/48/546536748.db2.gz	BBIYEVSACCACPG-ZBFHGGJFSA-N	1	1	357.454	2.467	20	30		FEEDMO
CC[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000177421400	546613861	/nfs/dbraw/zinc/61/38/61/546613861.db2.gz	OWFTZSNIDGWWEC-MJGOQNOKSA-N	1	1	352.438	2.296	20	30		FEEDMO
CC[C@@H](NC(=O)c1cc(C#N)c[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000177421400	546613866	/nfs/dbraw/zinc/61/38/66/546613866.db2.gz	OWFTZSNIDGWWEC-MJGOQNOKSA-N	1	1	352.438	2.296	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000177514339	546635132	/nfs/dbraw/zinc/63/51/32/546635132.db2.gz	OSHMQPVGTMOVRB-IYBDPMFKSA-N	1	1	365.499	2.034	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000177514339	546635138	/nfs/dbraw/zinc/63/51/38/546635138.db2.gz	OSHMQPVGTMOVRB-IYBDPMFKSA-N	1	1	365.499	2.034	20	30		FEEDMO
C[C@@H](N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1)C(F)(F)F	ZINC000178736223	546841189	/nfs/dbraw/zinc/84/11/89/546841189.db2.gz	HGDKZZPQVKPOJS-CYBMUJFWSA-N	1	1	354.376	2.455	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2C#N)[C@@H]1c1ccccc1	ZINC000179475223	546960498	/nfs/dbraw/zinc/96/04/98/546960498.db2.gz	KQTSMHYKOYVWOB-ROUUACIJSA-N	1	1	366.396	2.197	20	30		FEEDMO
C[C@H]1CCC[C@H](CO)[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000181394804	547306756	/nfs/dbraw/zinc/30/67/56/547306756.db2.gz	NOOCOYZMJWGKGU-WMLDXEAASA-N	1	1	368.399	2.408	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1	ZINC000181555268	547333849	/nfs/dbraw/zinc/33/38/49/547333849.db2.gz	MLOGZEVVRPGFPH-PZJWPPBQSA-N	1	1	352.434	2.241	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cc1	ZINC000181555268	547333851	/nfs/dbraw/zinc/33/38/51/547333851.db2.gz	MLOGZEVVRPGFPH-PZJWPPBQSA-N	1	1	352.434	2.241	20	30		FEEDMO
CC(C)OCC[NH+]1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000182819768	547557016	/nfs/dbraw/zinc/55/70/16/547557016.db2.gz	SLCLHZSJLAWZGJ-FQEVSTJZSA-N	1	1	370.497	2.096	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000182856402	547562775	/nfs/dbraw/zinc/56/27/75/547562775.db2.gz	CDWRRVNRTIMAHA-ZDUSSCGKSA-N	1	1	357.380	2.301	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1	ZINC000182856402	547562776	/nfs/dbraw/zinc/56/27/76/547562776.db2.gz	CDWRRVNRTIMAHA-ZDUSSCGKSA-N	1	1	357.380	2.301	20	30		FEEDMO
C[C@@H](CCNS(=O)(=O)c1c(F)cc(C#N)cc1F)[NH+]1CCCCC1	ZINC000183293247	547634337	/nfs/dbraw/zinc/63/43/37/547634337.db2.gz	OQYDVIBZOFDLCN-LBPRGKRZSA-N	1	1	357.426	2.379	20	30		FEEDMO
CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000184008572	547754392	/nfs/dbraw/zinc/75/43/92/547754392.db2.gz	JTZXWVYVIAQTMR-SFHVURJKSA-N	1	1	353.470	2.243	20	30		FEEDMO
CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000184008572	547754396	/nfs/dbraw/zinc/75/43/96/547754396.db2.gz	JTZXWVYVIAQTMR-SFHVURJKSA-N	1	1	353.470	2.243	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000184328836	547807526	/nfs/dbraw/zinc/80/75/26/547807526.db2.gz	NABUWOTYGRSEFG-YLJYHZDGSA-N	1	1	372.513	2.104	20	30		FEEDMO
C=C(C)CS(=O)(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1	ZINC000184373960	547816054	/nfs/dbraw/zinc/81/60/54/547816054.db2.gz	WCJRMVNRUVRKHX-UHFFFAOYSA-N	1	1	351.516	2.003	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1	ZINC000188074857	548270120	/nfs/dbraw/zinc/27/01/20/548270120.db2.gz	HGPBETBSIIWMLK-GOSISDBHSA-N	1	1	370.497	2.332	20	30		FEEDMO
C=CCOc1c(Br)cc(C[N@H+](CC)CC(N)=O)cc1OC	ZINC000188059291	548270529	/nfs/dbraw/zinc/27/05/29/548270529.db2.gz	YLYVMKSNMJWLSV-UHFFFAOYSA-N	1	1	357.248	2.330	20	30		FEEDMO
C=CCOc1c(Br)cc(C[N@@H+](CC)CC(N)=O)cc1OC	ZINC000188059291	548270533	/nfs/dbraw/zinc/27/05/33/548270533.db2.gz	YLYVMKSNMJWLSV-UHFFFAOYSA-N	1	1	357.248	2.330	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1	ZINC000189932166	548313480	/nfs/dbraw/zinc/31/34/80/548313480.db2.gz	UFFLMZAOJBIFLS-MSOLQXFVSA-N	1	1	372.513	2.099	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1	ZINC000193620199	548391430	/nfs/dbraw/zinc/39/14/30/548391430.db2.gz	FWXADWNFXQNWBW-QRVBRYPASA-N	1	1	354.498	2.432	20	30		FEEDMO
N#Cc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)s1	ZINC000486699416	561354680	/nfs/dbraw/zinc/35/46/80/561354680.db2.gz	OCQYPMWWOLSTAF-HNNXBMFYSA-N	1	1	354.435	2.322	20	30		FEEDMO
N#Cc1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)s1	ZINC000486699416	561354681	/nfs/dbraw/zinc/35/46/81/561354681.db2.gz	OCQYPMWWOLSTAF-HNNXBMFYSA-N	1	1	354.435	2.322	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1	ZINC000487794225	561375978	/nfs/dbraw/zinc/37/59/78/561375978.db2.gz	DKMHCDGDSLJOTG-INIZCTEOSA-N	1	1	363.527	2.296	20	30		FEEDMO
C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3ccc(C#N)s3)c2)CC1	ZINC000487812205	561376348	/nfs/dbraw/zinc/37/63/48/561376348.db2.gz	OQORHXLQLCRTHC-UHFFFAOYSA-N	1	1	368.462	2.189	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](CC(N)=O)C1	ZINC000245410940	548910953	/nfs/dbraw/zinc/91/09/53/548910953.db2.gz	UFCCAXFALOQKAP-CABCVRRESA-N	1	1	374.510	2.464	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC(N)=O)C1	ZINC000245410940	548910956	/nfs/dbraw/zinc/91/09/56/548910956.db2.gz	UFCCAXFALOQKAP-CABCVRRESA-N	1	1	374.510	2.464	20	30		FEEDMO
CCCNC(=O)C[NH+]1CCC(Nc2c(C#N)cnc3ccc(C)cc32)CC1	ZINC000487920129	561378748	/nfs/dbraw/zinc/37/87/48/561378748.db2.gz	QXMUEDIOOPQWFM-UHFFFAOYSA-N	1	1	365.481	2.239	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1	ZINC000245647958	548965103	/nfs/dbraw/zinc/96/51/03/548965103.db2.gz	MBHCXVFVUXNVNE-MOPGFXCFSA-N	1	1	362.433	2.367	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+](CCO)Cc1cccc(Br)c1	ZINC000488154421	561384699	/nfs/dbraw/zinc/38/46/99/561384699.db2.gz	VRUSZEGNOHLJMY-UHFFFAOYSA-N	1	1	367.287	2.444	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+](CCO)Cc1cccc(Br)c1	ZINC000488154421	561384700	/nfs/dbraw/zinc/38/47/00/561384700.db2.gz	VRUSZEGNOHLJMY-UHFFFAOYSA-N	1	1	367.287	2.444	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1C#N	ZINC000246097392	549051495	/nfs/dbraw/zinc/05/14/95/549051495.db2.gz	XKNKREISAIWNSQ-GJZGRUSLSA-N	1	1	360.458	2.264	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)C1(C#N)CCCCC1	ZINC000246202626	549077333	/nfs/dbraw/zinc/07/73/33/549077333.db2.gz	BFSUZXKSZBMKDY-WMZOPIPTSA-N	1	1	372.513	2.147	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1	ZINC000246316725	549103644	/nfs/dbraw/zinc/10/36/44/549103644.db2.gz	KEZCUGZZAAAZCB-UXHICEINSA-N	1	1	371.481	2.061	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1	ZINC000246316725	549103649	/nfs/dbraw/zinc/10/36/49/549103649.db2.gz	KEZCUGZZAAAZCB-UXHICEINSA-N	1	1	371.481	2.061	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccn(CCC#N)n2)[C@@H](C)C1	ZINC000246820978	549221088	/nfs/dbraw/zinc/22/10/88/549221088.db2.gz	XEONCBTXNDPEIC-JKSUJKDBSA-N	1	1	362.478	2.055	20	30		FEEDMO
C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC[C@H]21	ZINC000247136489	549289259	/nfs/dbraw/zinc/28/92/59/549289259.db2.gz	RYXCEFQYGVUDKL-BLLLJJGKSA-N	1	1	353.875	2.316	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(C#N)ccc2C)CC1=O	ZINC000247190873	549296906	/nfs/dbraw/zinc/29/69/06/549296906.db2.gz	ODZQYNWAKVILQX-DLBZAZTESA-N	1	1	354.454	2.138	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)N3CC[N@@H+](C)[C@@H](C(C)C)C3)C2)n1	ZINC000489401795	561410039	/nfs/dbraw/zinc/41/00/39/561410039.db2.gz	YCVXBIFRAUWVHX-RTBURBONSA-N	1	1	369.513	2.277	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1cccc(C#N)c1	ZINC000248728352	549491469	/nfs/dbraw/zinc/49/14/69/549491469.db2.gz	CZGFQAHPRNWXCP-HNAYVOBHSA-N	1	1	362.433	2.133	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccccc1C#N	ZINC000248794353	549503192	/nfs/dbraw/zinc/50/31/92/549503192.db2.gz	JCGOZZXGFBFPEN-MAUKXSAKSA-N	1	1	355.463	2.357	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)[N@H+]1CCC[C@H](C)C1	ZINC000248866693	549516658	/nfs/dbraw/zinc/51/66/58/549516658.db2.gz	HRRRLWPMNGNYJJ-QWHCGFSZSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)[C@@H](C)C1	ZINC000249145281	549560084	/nfs/dbraw/zinc/56/00/84/549560084.db2.gz	GETBNAQNIWWEIX-ZOBUZTSGSA-N	1	1	372.469	2.105	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)cc1C#N	ZINC000489664413	561416489	/nfs/dbraw/zinc/41/64/89/561416489.db2.gz	GDIFTVMTDPDIND-INIZCTEOSA-N	1	1	350.488	2.051	20	30		FEEDMO
CN(C[C@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1	ZINC000249563134	549605619	/nfs/dbraw/zinc/60/56/19/549605619.db2.gz	MFVQDTXUNCIRBN-VXKWHMMOSA-N	1	1	365.477	2.160	20	30		FEEDMO
C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1	ZINC000249563134	549605621	/nfs/dbraw/zinc/60/56/21/549605621.db2.gz	MFVQDTXUNCIRBN-VXKWHMMOSA-N	1	1	365.477	2.160	20	30		FEEDMO
C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1	ZINC000249563134	549605624	/nfs/dbraw/zinc/60/56/24/549605624.db2.gz	MFVQDTXUNCIRBN-VXKWHMMOSA-N	1	1	365.477	2.160	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1	ZINC000249683999	549615176	/nfs/dbraw/zinc/61/51/76/549615176.db2.gz	JMGVCGLHYTWRKS-NVXWUHKLSA-N	1	1	371.485	2.049	20	30		FEEDMO
C[N@H+]1CCN(C[C@H](O)COc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1	ZINC000249813921	549630190	/nfs/dbraw/zinc/63/01/90/549630190.db2.gz	JQCOBZZZVHTLHV-PZJWPPBQSA-N	1	1	351.450	2.287	20	30		FEEDMO
CN1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1	ZINC000249813921	549630196	/nfs/dbraw/zinc/63/01/96/549630196.db2.gz	JQCOBZZZVHTLHV-PZJWPPBQSA-N	1	1	351.450	2.287	20	30		FEEDMO
CN1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1	ZINC000249813921	549630199	/nfs/dbraw/zinc/63/01/99/549630199.db2.gz	JQCOBZZZVHTLHV-PZJWPPBQSA-N	1	1	351.450	2.287	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1	ZINC000253358711	549683709	/nfs/dbraw/zinc/68/37/09/549683709.db2.gz	RCMSJRODERWVFN-CABCVRRESA-N	1	1	372.469	2.132	20	30		FEEDMO
C=CCN(CCc1ccco1)C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1	ZINC000490245535	561429499	/nfs/dbraw/zinc/42/94/99/561429499.db2.gz	LPJGFJGDGHAMSU-MSOLQXFVSA-N	1	1	373.497	2.170	20	30		FEEDMO
N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1	ZINC000263676436	549917739	/nfs/dbraw/zinc/91/77/39/549917739.db2.gz	IAUSFWWHTUQINP-IEBWSBKVSA-N	1	1	353.470	2.017	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CNC(=O)c1ccc(C#N)cc1	ZINC000263775077	549935157	/nfs/dbraw/zinc/93/51/57/549935157.db2.gz	KRMGPNFUDLHSAL-MRXNPFEDSA-N	1	1	356.470	2.059	20	30		FEEDMO
C#CCOc1cccc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1	ZINC000264563480	549997618	/nfs/dbraw/zinc/99/76/18/549997618.db2.gz	SHDSWMOIIMYFMA-QGZVFWFLSA-N	1	1	371.462	2.118	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N	ZINC000264635798	549999070	/nfs/dbraw/zinc/99/90/70/549999070.db2.gz	XCTSFANQQVNUTG-CYBMUJFWSA-N	1	1	371.466	2.341	20	30		FEEDMO
COc1cc(CNC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1C#N	ZINC000491124760	561443236	/nfs/dbraw/zinc/44/32/36/561443236.db2.gz	WBTMEYBHUAWJOC-HDMKZQKVSA-N	1	1	356.470	2.439	20	30		FEEDMO
CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)no1	ZINC000266087619	550016706	/nfs/dbraw/zinc/01/67/06/550016706.db2.gz	HMNHVLQMEQXBPB-QGZVFWFLSA-N	1	1	353.426	2.127	20	30		FEEDMO
C#CCOc1cc(F)ccc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO	ZINC000266369472	550019759	/nfs/dbraw/zinc/01/97/59/550019759.db2.gz	FXHLJXBUPUOMLM-INIZCTEOSA-N	1	1	363.433	2.196	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)C1	ZINC000491411707	561445256	/nfs/dbraw/zinc/44/52/56/561445256.db2.gz	ABTSDMHCVHISCN-OAHLLOKOSA-N	1	1	374.872	2.340	20	30		FEEDMO
COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1	ZINC000269097813	550154503	/nfs/dbraw/zinc/15/45/03/550154503.db2.gz	FDHGQWHESOXFJU-LBPRGKRZSA-N	1	1	364.833	2.313	20	30		FEEDMO
Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C1(c2cccc(C#N)c2)CC1	ZINC000269638179	550212892	/nfs/dbraw/zinc/21/28/92/550212892.db2.gz	WUPPMXXBGIMXJT-UHFFFAOYSA-N	1	1	351.454	2.216	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)cc1	ZINC000270121125	550250155	/nfs/dbraw/zinc/25/01/55/550250155.db2.gz	JXXSQTPBDWZNKD-GOSISDBHSA-N	1	1	363.465	2.121	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCc4n[nH]cc4C3)CC2)cc1	ZINC000270121125	550250158	/nfs/dbraw/zinc/25/01/58/550250158.db2.gz	JXXSQTPBDWZNKD-GOSISDBHSA-N	1	1	363.465	2.121	20	30		FEEDMO
C=C(C)[C@H](CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)OCC	ZINC000270139137	550251518	/nfs/dbraw/zinc/25/15/18/550251518.db2.gz	ZSDWQTCPTMCUQI-MSOLQXFVSA-N	1	1	359.470	2.446	20	30		FEEDMO
C=C(C)[C@H](CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)OCC	ZINC000270139137	550251520	/nfs/dbraw/zinc/25/15/20/550251520.db2.gz	ZSDWQTCPTMCUQI-MSOLQXFVSA-N	1	1	359.470	2.446	20	30		FEEDMO
N#CCc1ccc(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000270229246	550255085	/nfs/dbraw/zinc/25/50/85/550255085.db2.gz	AHJFXEPEWIYZBP-UHFFFAOYSA-N	1	1	363.465	2.090	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1ccc(CC#N)cc1	ZINC000270314512	550261199	/nfs/dbraw/zinc/26/11/99/550261199.db2.gz	IKYFYGDNYDXGCE-KRWDZBQOSA-N	1	1	363.465	2.088	20	30		FEEDMO
COCC1(O)CC[NH+](CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1	ZINC000270372275	550266338	/nfs/dbraw/zinc/26/63/38/550266338.db2.gz	NALVNGNEDXXELV-UHFFFAOYSA-N	1	1	359.470	2.023	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1	ZINC000272066932	550419857	/nfs/dbraw/zinc/41/98/57/550419857.db2.gz	YCCIOMQWIONGBZ-OAHLLOKOSA-N	1	1	365.880	2.467	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)[C@H]2C1	ZINC000272278348	550434040	/nfs/dbraw/zinc/43/40/40/550434040.db2.gz	DGFPOWHULQIBTR-ABAIWWIYSA-N	1	1	373.400	2.292	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1	ZINC000272594682	550459979	/nfs/dbraw/zinc/45/99/79/550459979.db2.gz	XRHVOKUKSFLCKA-JKSUJKDBSA-N	1	1	351.491	2.422	20	30		FEEDMO
N#Cc1ccnc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-]	ZINC000273185062	550488773	/nfs/dbraw/zinc/48/87/73/550488773.db2.gz	MEMSQHZUKHYHNM-MRXNPFEDSA-N	1	1	353.382	2.040	20	30		FEEDMO
C=CCN(C(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1	ZINC000276203366	550577601	/nfs/dbraw/zinc/57/76/01/550577601.db2.gz	VQYMMQBQVAWZDS-HOTGVXAUSA-N	1	1	371.481	2.411	20	30		FEEDMO
C[C@@H](NS(=O)(=O)c1cccnc1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000277006720	550621156	/nfs/dbraw/zinc/62/11/56/550621156.db2.gz	INFYJVBFTMDBBO-NVXWUHKLSA-N	1	1	370.478	2.142	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1	ZINC000277010387	550621686	/nfs/dbraw/zinc/62/16/86/550621686.db2.gz	LIVGTSLTGYIPBS-HZPDHXFCSA-N	1	1	362.499	2.228	20	30		FEEDMO
C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1	ZINC000277626616	550693847	/nfs/dbraw/zinc/69/38/47/550693847.db2.gz	ZMZBRHAGNHPFAL-ZBFHGGJFSA-N	1	1	370.453	2.049	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C	ZINC000277716377	550705643	/nfs/dbraw/zinc/70/56/43/550705643.db2.gz	FQBWXVLFBCVGGO-ZWKOTPCHSA-N	1	1	361.486	2.145	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCN(Cc3nncn3-c3ccccc3)CC2)cc1	ZINC000277877412	550724304	/nfs/dbraw/zinc/72/43/04/550724304.db2.gz	DWSUKBAEOFLUHX-UHFFFAOYSA-N	1	1	358.449	2.457	20	30		FEEDMO
N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)c1	ZINC000278398553	550781386	/nfs/dbraw/zinc/78/13/86/550781386.db2.gz	BIDSUHAPKZJYCF-LJQANCHMSA-N	1	1	366.465	2.362	20	30		FEEDMO
C=CCn1c(=O)[nH]nc1SC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000278686037	550811328	/nfs/dbraw/zinc/81/13/28/550811328.db2.gz	ZANPWBRILQPUHJ-MRXNPFEDSA-N	1	1	360.483	2.141	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1CC(=O)N(CCC#N)c1ccccc1	ZINC000278721364	550814750	/nfs/dbraw/zinc/81/47/50/550814750.db2.gz	RUCLRTNBTYAKSY-SFHVURJKSA-N	1	1	370.497	2.118	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C	ZINC000278918088	550835783	/nfs/dbraw/zinc/83/57/83/550835783.db2.gz	UNZKSNJBJPLWRZ-HOTGVXAUSA-N	1	1	357.454	2.037	20	30		FEEDMO
COC(=O)[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C	ZINC000278992433	550844224	/nfs/dbraw/zinc/84/42/24/550844224.db2.gz	BOVHXPLXNQIMKB-CRAIPNDOSA-N	1	1	367.453	2.490	20	30		FEEDMO
COC(=O)[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C	ZINC000278992541	550844250	/nfs/dbraw/zinc/84/42/50/550844250.db2.gz	BOVHXPLXNQIMKB-YJBOKZPZSA-N	1	1	367.453	2.490	20	30		FEEDMO
C[C@H]1C[C@@H](C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C	ZINC000279165016	550860575	/nfs/dbraw/zinc/86/05/75/550860575.db2.gz	IOASQBVXXPATJE-PXNSSMCTSA-N	1	1	354.498	2.323	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)C2=O)cc1	ZINC000279640149	550911495	/nfs/dbraw/zinc/91/14/95/550911495.db2.gz	ZXXILSBLLULIBW-PMPSAXMXSA-N	1	1	367.371	2.441	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)C2=O)cc1	ZINC000279640149	550911496	/nfs/dbraw/zinc/91/14/96/550911496.db2.gz	ZXXILSBLLULIBW-PMPSAXMXSA-N	1	1	367.371	2.441	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1	ZINC000280680349	551020800	/nfs/dbraw/zinc/02/08/00/551020800.db2.gz	QQSIFFKONHVBGP-UHFFFAOYSA-N	1	1	366.465	2.350	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1	ZINC000281806191	551145230	/nfs/dbraw/zinc/14/52/30/551145230.db2.gz	NCZCZDXDHVYFMP-QFBILLFUSA-N	1	1	373.501	2.343	20	30		FEEDMO
C=CCOc1ccc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1OC	ZINC000281892599	551154043	/nfs/dbraw/zinc/15/40/43/551154043.db2.gz	YIOZVPZESMBNJE-UHFFFAOYSA-N	1	1	361.486	2.016	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1	ZINC000282085746	551178753	/nfs/dbraw/zinc/17/87/53/551178753.db2.gz	OJBBWGROCYZJDA-IRXDYDNUSA-N	1	1	357.502	2.407	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1	ZINC000282085746	551178754	/nfs/dbraw/zinc/17/87/54/551178754.db2.gz	OJBBWGROCYZJDA-IRXDYDNUSA-N	1	1	357.502	2.407	20	30		FEEDMO
C=CCn1c(-c2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000282391301	551222082	/nfs/dbraw/zinc/22/20/82/551222082.db2.gz	VUWSADDUVRQZTB-MRXNPFEDSA-N	1	1	371.460	2.429	20	30		FEEDMO
C=C(C)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000283009284	551297129	/nfs/dbraw/zinc/29/71/29/551297129.db2.gz	RTYPLCTUOJXCAB-KRWDZBQOSA-N	1	1	370.501	2.018	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)C[C@H](C)O1	ZINC000283722914	551416179	/nfs/dbraw/zinc/41/61/79/551416179.db2.gz	GNYSSJXQDYZIPI-OKILXGFUSA-N	1	1	373.457	2.374	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1	ZINC000498017869	561513859	/nfs/dbraw/zinc/51/38/59/561513859.db2.gz	JMISGONPVKWFDR-VQTJNVASSA-N	1	1	354.498	2.487	20	30		FEEDMO
CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000284346769	551529336	/nfs/dbraw/zinc/52/93/36/551529336.db2.gz	COTGUONUWHBOJY-INIZCTEOSA-N	1	1	353.426	2.489	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O	ZINC000284827202	551644616	/nfs/dbraw/zinc/64/46/16/551644616.db2.gz	OQTNBZVSGNXJPH-ODZKNYGOSA-N	1	1	357.454	2.137	20	30		FEEDMO
CCOc1ccc([C@H](COC)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1	ZINC000284828417	551644711	/nfs/dbraw/zinc/64/47/11/551644711.db2.gz	RNKVYMGERVHXQI-SFHVURJKSA-N	1	1	358.442	2.018	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccccc1	ZINC000284877565	551656648	/nfs/dbraw/zinc/65/66/48/551656648.db2.gz	QIMNBIZUTWWCNH-OALUTQOASA-N	1	1	350.422	2.145	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(C#N)c2)[C@@H]1c1ccccc1	ZINC000284877565	551656649	/nfs/dbraw/zinc/65/66/49/551656649.db2.gz	QIMNBIZUTWWCNH-OALUTQOASA-N	1	1	350.422	2.145	20	30		FEEDMO
CCCCCC(=O)NC1CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC1	ZINC000498677124	561531573	/nfs/dbraw/zinc/53/15/73/561531573.db2.gz	UJSCKIQIXFXJAT-MRXNPFEDSA-N	1	1	350.507	2.155	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000498711978	561532529	/nfs/dbraw/zinc/53/25/29/561532529.db2.gz	WBPOEVGUHAAYQI-KRWDZBQOSA-N	1	1	356.470	2.266	20	30		FEEDMO
C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc(C#N)cc1	ZINC000285361329	551743947	/nfs/dbraw/zinc/74/39/47/551743947.db2.gz	QHTZIIMBMQBKSD-QGZVFWFLSA-N	1	1	355.394	2.381	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000286034694	551841198	/nfs/dbraw/zinc/84/11/98/551841198.db2.gz	BGLRHMWJEVCXPB-JENIJYKNSA-N	1	1	370.472	2.466	20	30		FEEDMO
N#CCC[C@H](C#N)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000286072024	551845507	/nfs/dbraw/zinc/84/55/07/551845507.db2.gz	RXWFGYUZKQCYPQ-RTWAWAEBSA-N	1	1	351.498	2.322	20	30		FEEDMO
CC[C@H](C#N)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1	ZINC000286659729	551911689	/nfs/dbraw/zinc/91/16/89/551911689.db2.gz	FWXBFWNOWVCZTN-QRVBRYPASA-N	1	1	351.454	2.054	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(c2nc3cc(Cl)ccn3c2C#N)CC1	ZINC000287211351	551976680	/nfs/dbraw/zinc/97/66/80/551976680.db2.gz	IKHOEDZESQVXJM-INIZCTEOSA-N	1	1	372.904	2.466	20	30		FEEDMO
COc1cc(OC)c2ncc(C#N)c(NC[C@H](C)[NH+]3CCN(C)CC3)c2c1	ZINC000287915375	552062559	/nfs/dbraw/zinc/06/25/59/552062559.db2.gz	OQVOHZMWHPACOX-AWEZNQCLSA-N	1	1	369.469	2.171	20	30		FEEDMO
C=C(C)[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)CC1)c1ccc(F)c(F)c1	ZINC000288143490	552098961	/nfs/dbraw/zinc/09/89/61/552098961.db2.gz	KYYBBBQLLRAQMT-SUMWQHHRSA-N	1	1	353.413	2.290	20	30		FEEDMO
C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000289839188	552387086	/nfs/dbraw/zinc/38/70/86/552387086.db2.gz	PADUTILKXYEQAC-OXQOHEQNSA-N	1	1	365.481	2.254	20	30		FEEDMO
CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)CC1	ZINC000289975731	552408212	/nfs/dbraw/zinc/40/82/12/552408212.db2.gz	ZNUNGQNPLOAGPS-OAHLLOKOSA-N	1	1	360.458	2.278	20	30		FEEDMO
C=CCn1c(-c2ccccn2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C	ZINC000290091831	552425952	/nfs/dbraw/zinc/42/59/52/552425952.db2.gz	DNLIERNCCCCJSX-MRXNPFEDSA-N	1	1	368.485	2.216	20	30		FEEDMO
Cn1cc(CN2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1C#N	ZINC000290102717	552427724	/nfs/dbraw/zinc/42/77/24/552427724.db2.gz	HSQUCXBSWDLJBC-KRWDZBQOSA-N	1	1	373.501	2.024	20	30		FEEDMO
C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C#N)c(F)c1	ZINC000290323814	552460136	/nfs/dbraw/zinc/46/01/36/552460136.db2.gz	VXPBJZFHNUWCED-HZSPNIEDSA-N	1	1	360.433	2.118	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000290973570	552570822	/nfs/dbraw/zinc/57/08/22/552570822.db2.gz	RBCGISZIYRBGEW-AWEZNQCLSA-N	1	1	370.501	2.387	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)N3CCc4sccc4C3)C2)nc1	ZINC000292093450	552692966	/nfs/dbraw/zinc/69/29/66/552692966.db2.gz	FSFDWLODUSAUDY-MRXNPFEDSA-N	1	1	368.462	2.053	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)N3CCc4sccc4C3)C2)nc1	ZINC000292093450	552692967	/nfs/dbraw/zinc/69/29/67/552692967.db2.gz	FSFDWLODUSAUDY-MRXNPFEDSA-N	1	1	368.462	2.053	20	30		FEEDMO
COc1cccc(NC(=O)CC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c1	ZINC000292241082	552708018	/nfs/dbraw/zinc/70/80/18/552708018.db2.gz	QGBGCXPWJLBDDO-SFHVURJKSA-N	1	1	366.421	2.444	20	30		FEEDMO
C[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)[N@H+]1CCCC[C@H]1C	ZINC000501528072	561599751	/nfs/dbraw/zinc/59/97/51/561599751.db2.gz	BFERFHSAGXVXBT-IAGOWNOFSA-N	1	1	370.501	2.048	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1C	ZINC000293270026	552805360	/nfs/dbraw/zinc/80/53/60/552805360.db2.gz	FOGFPIPYZMLMBB-UHFFFAOYSA-N	1	1	355.360	2.024	20	30		FEEDMO
C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)C2)C1	ZINC000293291821	552807915	/nfs/dbraw/zinc/80/79/15/552807915.db2.gz	IBILGOCEFOWVIC-GOSISDBHSA-N	1	1	360.845	2.094	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-c2nc(C)cs2)cc1	ZINC000293304839	552809542	/nfs/dbraw/zinc/80/95/42/552809542.db2.gz	HSFLGGXTDYNKPL-UHFFFAOYSA-N	1	1	370.478	2.128	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1CCC(F)(F)F	ZINC000293508816	552830845	/nfs/dbraw/zinc/83/08/45/552830845.db2.gz	XYZWHUGMXQTESQ-UHFFFAOYSA-N	1	1	369.387	2.191	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)CC2)o1	ZINC000293832679	552860428	/nfs/dbraw/zinc/86/04/28/552860428.db2.gz	BYZOHGOSJQXJGF-HXUWFJFHSA-N	1	1	371.485	2.015	20	30		FEEDMO
CC[N@H+]1CC[C@H]2OCCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)[C@H]2C1	ZINC000293934636	552869332	/nfs/dbraw/zinc/86/93/32/552869332.db2.gz	QAOOAHBNSZGYCS-ZWKOTPCHSA-N	1	1	359.445	2.297	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)CCc1nc2sc(C)c(C)c2c(=O)[nH]1	ZINC000293985966	552872881	/nfs/dbraw/zinc/87/28/81/552872881.db2.gz	NIYABSDOXJEIFM-UHFFFAOYSA-N	1	1	360.483	2.018	20	30		FEEDMO
C[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@H](C)[N@@H+]1C	ZINC000294077744	552880202	/nfs/dbraw/zinc/88/02/02/552880202.db2.gz	WJQVEEDBYKQLQF-GASCZTMLSA-N	1	1	358.461	2.465	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](CNC(=O)C[C@H]1CCCS(=O)(=O)C1)C(C)C	ZINC000294678240	552926000	/nfs/dbraw/zinc/92/60/00/552926000.db2.gz	HXUVFDDCPZYBMI-SJORKVTESA-N	1	1	356.532	2.016	20	30		FEEDMO
N#Cc1cnc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1	ZINC000295105941	552959442	/nfs/dbraw/zinc/95/94/42/552959442.db2.gz	USJUCGHDMLZWTJ-INIZCTEOSA-N	1	1	353.382	2.040	20	30		FEEDMO
COc1ccc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)cc1OCCCC#N	ZINC000295115680	552960469	/nfs/dbraw/zinc/96/04/69/552960469.db2.gz	MLGJWCYUYPAGPW-XLIONFOSSA-N	1	1	359.470	2.283	20	30		FEEDMO
C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCN2CCO[C@H]1C2	ZINC000295342586	552990680	/nfs/dbraw/zinc/99/06/80/552990680.db2.gz	ICHNVQKTZWOSDT-SJORKVTESA-N	1	1	354.372	2.342	20	30		FEEDMO
C=CCC[C@H](O)C[N@H+]1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1	ZINC000502332307	561616409	/nfs/dbraw/zinc/61/64/09/561616409.db2.gz	LQIMVYNFDWXGSY-ZWKOTPCHSA-N	1	1	364.511	2.170	20	30		FEEDMO
Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000296549966	553177683	/nfs/dbraw/zinc/17/76/83/553177683.db2.gz	MVBHPRRPYPDJBA-UHFFFAOYSA-N	1	1	359.455	2.177	20	30		FEEDMO
N#Cc1cnc(NCc2ccccc2C[NH+]2CCOCC2)c([N+](=O)[O-])c1	ZINC000296672692	553196307	/nfs/dbraw/zinc/19/63/07/553196307.db2.gz	ZOUBLEIEUBUEDX-UHFFFAOYSA-N	1	1	353.382	2.306	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N	ZINC000296831643	553217366	/nfs/dbraw/zinc/21/73/66/553217366.db2.gz	IHOFVDCTMJRPHV-GFCCVEGCSA-N	1	1	362.499	2.266	20	30		FEEDMO
CCC[C@@H]1CN(C(=O)Nc2snc(C)c2C#N)CC[N@H+]1CCOC	ZINC000297523426	553303866	/nfs/dbraw/zinc/30/38/66/553303866.db2.gz	XBUWGWJYMNPBMO-CYBMUJFWSA-N	1	1	351.476	2.288	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1	ZINC000297684417	553324534	/nfs/dbraw/zinc/32/45/34/553324534.db2.gz	BAQDDYBKABNOTF-RBUKOAKNSA-N	1	1	355.482	2.144	20	30		FEEDMO
N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCC[NH+]3CCC3)cc2)cc1	ZINC000503669988	561646320	/nfs/dbraw/zinc/64/63/20/561646320.db2.gz	IKNJZURPAMLAPE-UHFFFAOYSA-N	1	1	364.405	2.111	20	30		FEEDMO
C[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000299536498	553577630	/nfs/dbraw/zinc/57/76/30/553577630.db2.gz	UZMHACJEHZEFNQ-SFHVURJKSA-N	1	1	369.469	2.013	20	30		FEEDMO
N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1	ZINC000504303839	561655974	/nfs/dbraw/zinc/65/59/74/561655974.db2.gz	VSPNLOIRQSZWPO-UXHICEINSA-N	1	1	367.497	2.012	20	30		FEEDMO
Cc1nc2ncnn2c(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C	ZINC000301258867	553636246	/nfs/dbraw/zinc/63/62/46/553636246.db2.gz	CJDSIBCBMZRBES-UHFFFAOYSA-N	1	1	361.453	2.325	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000505593974	561674820	/nfs/dbraw/zinc/67/48/20/561674820.db2.gz	PJNIGDNZEUDAQJ-INIZCTEOSA-N	1	1	373.497	2.047	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1	ZINC000505593974	561674821	/nfs/dbraw/zinc/67/48/21/561674821.db2.gz	PJNIGDNZEUDAQJ-INIZCTEOSA-N	1	1	373.497	2.047	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1	ZINC000505593975	561674892	/nfs/dbraw/zinc/67/48/92/561674892.db2.gz	PJNIGDNZEUDAQJ-MRXNPFEDSA-N	1	1	373.497	2.047	20	30		FEEDMO
C=CCCc1ccccc1NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1	ZINC000505593975	561674893	/nfs/dbraw/zinc/67/48/93/561674893.db2.gz	PJNIGDNZEUDAQJ-MRXNPFEDSA-N	1	1	373.497	2.047	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000328616562	553796807	/nfs/dbraw/zinc/79/68/07/553796807.db2.gz	SQSGFYVHWUEOLV-NUJGCVRESA-N	1	1	351.491	2.067	20	30		FEEDMO
CC[C@]1(C)CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCO1	ZINC000328623465	553797941	/nfs/dbraw/zinc/79/79/41/553797941.db2.gz	YWHMPQLTOKLLKC-HXUWFJFHSA-N	1	1	361.486	2.434	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(c3ccccc3OC)C2=O)C1	ZINC000328697956	553808930	/nfs/dbraw/zinc/80/89/30/553808930.db2.gz	HIKHVAMDVYHCKX-CVEARBPZSA-N	1	1	374.485	2.036	20	30		FEEDMO
O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cn2c(n1)CCCC2	ZINC000328701300	553809268	/nfs/dbraw/zinc/80/92/68/553809268.db2.gz	JCAJLXRCUNPEKV-QGZVFWFLSA-N	1	1	354.454	2.291	20	30		FEEDMO
CS(=O)(=O)N1CCC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1	ZINC000328699343	553809317	/nfs/dbraw/zinc/80/93/17/553809317.db2.gz	VMYHBPHTWCHGII-MRXNPFEDSA-N	1	1	357.520	2.022	20	30		FEEDMO
C[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1	ZINC000328724702	553812625	/nfs/dbraw/zinc/81/26/25/553812625.db2.gz	SWTWTSKJVKNQDE-QPSCCSFWSA-N	1	1	364.469	2.152	20	30		FEEDMO
C[C@H](NC(=O)C1CCCC1)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C	ZINC000328753763	553816923	/nfs/dbraw/zinc/81/69/23/553816923.db2.gz	SHYBTKYQFISWCN-CABCVRRESA-N	1	1	351.491	2.233	20	30		FEEDMO
CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCn2ncnc2C1	ZINC000328781398	553821339	/nfs/dbraw/zinc/82/13/39/553821339.db2.gz	UTVZMFGRGCBKIK-QGZVFWFLSA-N	1	1	368.485	2.308	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N1CCN(c2ccc(Cl)cn2)CC1	ZINC000328800697	553823869	/nfs/dbraw/zinc/82/38/69/553823869.db2.gz	IPYJSCVRFUJKHN-CVEARBPZSA-N	1	1	363.893	2.398	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CC[N@H+]1C	ZINC000328821225	553827854	/nfs/dbraw/zinc/82/78/54/553827854.db2.gz	FPQBAHGFBQAKDU-NPNMTCQASA-N	1	1	373.501	2.301	20	30		FEEDMO
Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12	ZINC000328909086	553843267	/nfs/dbraw/zinc/84/32/67/553843267.db2.gz	DLBHRKDERLPAQD-KZNAEPCWSA-N	1	1	372.448	2.488	20	30		FEEDMO
CN1CCO[C@H]2CC[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@H]21	ZINC000328927427	553846135	/nfs/dbraw/zinc/84/61/35/553846135.db2.gz	XCRUMAZJIIRKTA-CVEARBPZSA-N	1	1	374.510	2.491	20	30		FEEDMO
C[C@H](CC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21)NC(=O)C1CCCCC1	ZINC000328973071	553856297	/nfs/dbraw/zinc/85/62/97/553856297.db2.gz	PGDFHBKMKLEXTD-HYVNUMGLSA-N	1	1	351.491	2.233	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[C@H](C)O1	ZINC000506141521	561691611	/nfs/dbraw/zinc/69/16/11/561691611.db2.gz	YEDUZRDEGRWEAG-GASCZTMLSA-N	1	1	359.445	2.344	20	30		FEEDMO
O=C(NCC[N@@H+]1CC=CCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000329110346	553882231	/nfs/dbraw/zinc/88/22/31/553882231.db2.gz	QGPJNBXHGXYEEW-HNNXBMFYSA-N	1	1	371.437	2.029	20	30		FEEDMO
C[N@@H+](CC(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)[C@H]1CCSC1	ZINC000329126315	553885207	/nfs/dbraw/zinc/88/52/07/553885207.db2.gz	UFGPUJQXSFQABT-NEPJUHHUSA-N	1	1	369.437	2.464	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)C1	ZINC000329135715	553887105	/nfs/dbraw/zinc/88/71/05/553887105.db2.gz	QRHALFJFDWPESB-AJYBTWMASA-N	1	1	367.534	2.273	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1	ZINC000506208675	561693238	/nfs/dbraw/zinc/69/32/38/561693238.db2.gz	IUGCDQZFIJFYIT-DNVCBOLYSA-N	1	1	351.491	2.485	20	30		FEEDMO
CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1	ZINC000329190908	553898973	/nfs/dbraw/zinc/89/89/73/553898973.db2.gz	RZJKXHINWOPMPM-JQHSSLGASA-N	1	1	362.518	2.393	20	30		FEEDMO
CCc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cc(=O)[nH]1	ZINC000329198186	553900609	/nfs/dbraw/zinc/90/06/09/553900609.db2.gz	UOJMSJVTMREWBT-SCLBCKFNSA-N	1	1	357.458	2.471	20	30		FEEDMO
CC1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCCC1	ZINC000329229137	553907070	/nfs/dbraw/zinc/90/70/70/553907070.db2.gz	JDKQBOOHWMNLOE-INIZCTEOSA-N	1	1	351.491	2.237	20	30		FEEDMO
O=C(NCc1cc(Cl)c2c(c1)OCCO2)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000329307263	553922739	/nfs/dbraw/zinc/92/27/39/553922739.db2.gz	PMVKPNCZNQIBIL-LBPRGKRZSA-N	1	1	351.834	2.352	20	30		FEEDMO
O=C(NCc1ccc(CN2CCCC2=O)cc1)N[C@H]1CC[N@H+](C2CC2)C1	ZINC000329317358	553924048	/nfs/dbraw/zinc/92/40/48/553924048.db2.gz	SNBWAKYXQDAYKQ-KRWDZBQOSA-N	1	1	356.470	2.049	20	30		FEEDMO
O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCCN(C(=O)c2ccsc2)CC1	ZINC000329327737	553926019	/nfs/dbraw/zinc/92/60/19/553926019.db2.gz	XKNBEPLIUILGJS-HNNXBMFYSA-N	1	1	362.499	2.047	20	30		FEEDMO
C[C@@H](NC(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000329331794	553926656	/nfs/dbraw/zinc/92/66/56/553926656.db2.gz	ZSHVOFMLYRHKFR-QFXBJFAPSA-N	1	1	362.518	2.152	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)[C@H](C)N3CCOCC3)CC2)oc1C	ZINC000329370695	553933857	/nfs/dbraw/zinc/93/38/57/553933857.db2.gz	LXUBACACRUBZEN-HNNXBMFYSA-N	1	1	364.490	2.181	20	30		FEEDMO
C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000329400032	553939185	/nfs/dbraw/zinc/93/91/85/553939185.db2.gz	YNTKRJRTVAKFQK-UISNHOIMSA-N	1	1	374.529	2.250	20	30		FEEDMO
CN1CC[C@@H]([N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1=O	ZINC000329403341	553939978	/nfs/dbraw/zinc/93/99/78/553939978.db2.gz	YSLNLESYEMFDGL-NVXWUHKLSA-N	1	1	367.453	2.456	20	30		FEEDMO
CN1CC[C@@H]([N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)C1=O	ZINC000329403341	553939981	/nfs/dbraw/zinc/93/99/81/553939981.db2.gz	YSLNLESYEMFDGL-NVXWUHKLSA-N	1	1	367.453	2.456	20	30		FEEDMO
CO[C@@]1(C)CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)C1	ZINC000329431747	553945690	/nfs/dbraw/zinc/94/56/90/553945690.db2.gz	HZGFHJFFHSGTPY-WDYCEAGBSA-N	1	1	363.506	2.218	20	30		FEEDMO
Cc1ccc(C(=O)C2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)cc1	ZINC000329443007	553947921	/nfs/dbraw/zinc/94/79/21/553947921.db2.gz	LIDSGVPATPXXGG-LJQANCHMSA-N	1	1	372.513	2.050	20	30		FEEDMO
CO[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)[C@@H](C)C1	ZINC000329456149	553950197	/nfs/dbraw/zinc/95/01/97/553950197.db2.gz	MVDVOOCNXJCSMG-LISAXSMJSA-N	1	1	363.506	2.216	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@@H]1C	ZINC000329513498	553960370	/nfs/dbraw/zinc/96/03/70/553960370.db2.gz	LMKVFWWWXUVTOQ-ZFWWWQNUSA-N	1	1	372.469	2.305	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[C@]12CCCO2	ZINC000329551547	553966182	/nfs/dbraw/zinc/96/61/82/553966182.db2.gz	FXCFBQZTXPGRSM-OGJJZOIMSA-N	1	1	351.491	2.043	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2cn(C)nc2C2CC2)C[C@H](C)O1	ZINC000329598508	553974200	/nfs/dbraw/zinc/97/42/00/553974200.db2.gz	DCDNWCSQKDEZSJ-IJEWVQPXSA-N	1	1	361.490	2.417	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2cn(C)nc2C2CC2)C[C@H](C)O1	ZINC000329598508	553974201	/nfs/dbraw/zinc/97/42/01/553974201.db2.gz	DCDNWCSQKDEZSJ-IJEWVQPXSA-N	1	1	361.490	2.417	20	30		FEEDMO
Cc1cnc([C@H](C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)s1	ZINC000329609642	553976192	/nfs/dbraw/zinc/97/61/92/553976192.db2.gz	NLIDVYZENQXPPG-BPLDGKMQSA-N	1	1	352.504	2.264	20	30		FEEDMO
C[N@H+]1CCCC12CCN(CC(=O)NC[C@@H]1COc3ccccc3O1)CC2	ZINC000329617748	553977110	/nfs/dbraw/zinc/97/71/10/553977110.db2.gz	DUSDAPMTQFTTBF-MRXNPFEDSA-N	1	1	359.470	2.343	20	30		FEEDMO
C[C@@H]1[N@@H+](CC(=O)Nc2cc(-n3cnnn3)ccc2F)CCC12CCOCC2	ZINC000329659098	553984217	/nfs/dbraw/zinc/98/42/17/553984217.db2.gz	HNFDRXJESOVTLA-ZDUSSCGKSA-N	1	1	374.420	2.280	20	30		FEEDMO
C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2C[C@]23CCOC3)CC1	ZINC000329684685	553988063	/nfs/dbraw/zinc/98/80/63/553988063.db2.gz	YFIMAFMFSCETQR-JXFKEZNVSA-N	1	1	357.454	2.479	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](C/C(C)=C\c2ccccc2COC)CC1	ZINC000507052680	561715634	/nfs/dbraw/zinc/71/56/34/561715634.db2.gz	NUKIPZBMICDZIC-JXAWBTAJSA-N	1	1	357.498	2.156	20	30		FEEDMO
Cc1cc[nH+]c(N2CCN(C(=O)NCc3noc4c3CCCC4)CC2)c1	ZINC000329708341	553993173	/nfs/dbraw/zinc/99/31/73/553993173.db2.gz	MDVUFVFXGZOTFZ-UHFFFAOYSA-N	1	1	355.442	2.493	20	30		FEEDMO
Cc1cc2c(cc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)OCO2	ZINC000329711369	553993685	/nfs/dbraw/zinc/99/36/85/553993685.db2.gz	OMLAQHFOJONGNN-HNNXBMFYSA-N	1	1	361.442	2.456	20	30		FEEDMO
Cc1ccc(N2CCC[C@@H](NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)nn1	ZINC000329771354	554003130	/nfs/dbraw/zinc/00/31/30/554003130.db2.gz	JSIPSAVQFYNKLM-CSNJMZFVSA-N	1	1	372.517	2.273	20	30		FEEDMO
C[C@H](c1nccs1)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1	ZINC000329829074	554013683	/nfs/dbraw/zinc/01/36/83/554013683.db2.gz	JOVAWPUWGWAVRZ-RBSFLKMASA-N	1	1	351.520	2.218	20	30		FEEDMO
CC(C)O[C@@H]1C[C@H](NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)C1(C)C	ZINC000329858373	554020050	/nfs/dbraw/zinc/02/00/50/554020050.db2.gz	NYUNXTCLEVWQQG-VVLHAWIVSA-N	1	1	353.507	2.145	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN(CC(C)(C)O)CC2)C1	ZINC000329892508	554025608	/nfs/dbraw/zinc/02/56/08/554025608.db2.gz	AASGGCWAKRABOL-MJGOQNOKSA-N	1	1	374.529	2.124	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCN(CC(C)(C)O)CC2)C1	ZINC000329892508	554025609	/nfs/dbraw/zinc/02/56/09/554025609.db2.gz	AASGGCWAKRABOL-MJGOQNOKSA-N	1	1	374.529	2.124	20	30		FEEDMO
C[C@H](NC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000329955337	554038680	/nfs/dbraw/zinc/03/86/80/554038680.db2.gz	OYFLPRACWURQCS-PFRQMTDMSA-N	1	1	365.518	2.433	20	30		FEEDMO
O=C(NC[C@@H]1CCc2nccn2C1)N[C@H]1CCN(c2ncccc2Cl)C1	ZINC000329956789	554038750	/nfs/dbraw/zinc/03/87/50/554038750.db2.gz	PEAOEWNZNIUODA-KBPBESRZSA-N	1	1	374.876	2.276	20	30		FEEDMO
[O-]C(N[C@H]1CCN(c2ncccc2Cl)C1)=[NH+]C[C@@H]1CCc2[nH+]ccn2C1	ZINC000329956789	554038753	/nfs/dbraw/zinc/03/87/53/554038753.db2.gz	PEAOEWNZNIUODA-KBPBESRZSA-N	1	1	374.876	2.276	20	30		FEEDMO
CCC(=O)N[C@H]1CCCN(C(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)C1	ZINC000329982679	554043415	/nfs/dbraw/zinc/04/34/15/554043415.db2.gz	AMUIFYPJDJUEDD-AWEZNQCLSA-N	1	1	358.446	2.194	20	30		FEEDMO
Cc1nnc2n1C[C@@H](CNC([O-])=[NH+]C1CC[NH+](C3CCCCC3)CC1)CC2	ZINC000330019188	554050002	/nfs/dbraw/zinc/05/00/02/554050002.db2.gz	URRAPYARWFQEMP-MRXNPFEDSA-N	1	1	374.533	2.450	20	30		FEEDMO
Cc1nnc2n1C[C@@H](C[NH+]=C([O-])NC1CC[NH+](C3CCCCC3)CC1)CC2	ZINC000330019188	554050004	/nfs/dbraw/zinc/05/00/04/554050004.db2.gz	URRAPYARWFQEMP-MRXNPFEDSA-N	1	1	374.533	2.450	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC(O[C@@H]3CCOC3)CC2)C1	ZINC000330079734	554061091	/nfs/dbraw/zinc/06/10/91/554061091.db2.gz	ONMDBRXFBZZGLZ-SJLPKXTDSA-N	1	1	353.507	2.291	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCCc3c[nH]nc32)C[C@H](C)O1	ZINC000330147262	554073568	/nfs/dbraw/zinc/07/35/68/554073568.db2.gz	UAGIIEZLWXBCSM-HDEZJCGLSA-N	1	1	361.490	2.275	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCCc3c[nH]nc32)C[C@H](C)O1	ZINC000330147262	554073571	/nfs/dbraw/zinc/07/35/71/554073571.db2.gz	UAGIIEZLWXBCSM-HDEZJCGLSA-N	1	1	361.490	2.275	20	30		FEEDMO
O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)NCc1cnn(-c2ccccc2)c1	ZINC000330165205	554076768	/nfs/dbraw/zinc/07/67/68/554076768.db2.gz	WSIKBUADVFHQEB-LJQANCHMSA-N	1	1	353.470	2.499	20	30		FEEDMO
Cc1cscc1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000330174852	554078623	/nfs/dbraw/zinc/07/86/23/554078623.db2.gz	IOWURPRSKWFJGI-INIZCTEOSA-N	1	1	365.499	2.226	20	30		FEEDMO
CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cn1	ZINC000330183546	554080310	/nfs/dbraw/zinc/08/03/10/554080310.db2.gz	QBMLXKHRQCZDOW-JZXOWHBKSA-N	1	1	374.489	2.147	20	30		FEEDMO
Cc1ccc2ncc(C#N)c(N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)c2c1	ZINC000330193757	554082564	/nfs/dbraw/zinc/08/25/64/554082564.db2.gz	YTFBDTWRRYJCSZ-LJQANCHMSA-N	1	1	363.465	2.158	20	30		FEEDMO
C=CCOc1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)cc1	ZINC000507670921	561737384	/nfs/dbraw/zinc/73/73/84/561737384.db2.gz	XDGUOBJXOVPKAP-UHFFFAOYSA-N	1	1	352.438	2.068	20	30		FEEDMO
CC(C)(C)S(=O)(=O)N1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1	ZINC000330221418	554087259	/nfs/dbraw/zinc/08/72/59/554087259.db2.gz	LRLRLRPXTQVISL-OAHLLOKOSA-N	1	1	357.520	2.162	20	30		FEEDMO
Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1N1CCNC1=O	ZINC000330229841	554089298	/nfs/dbraw/zinc/08/92/98/554089298.db2.gz	WCKLFSKUWWCYEN-HOCLYGCPSA-N	1	1	357.458	2.443	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3CC)cc2C1=O	ZINC000330238675	554090791	/nfs/dbraw/zinc/09/07/91/554090791.db2.gz	ZYZAQOPHIGUDJT-HZPDHXFCSA-N	1	1	367.449	2.167	20	30		FEEDMO
Cc1cccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3C#N)CC2)c1	ZINC000507758058	561740113	/nfs/dbraw/zinc/74/01/13/561740113.db2.gz	XJLRJBWRPODRQE-IBGZPJMESA-N	1	1	351.450	2.429	20	30		FEEDMO
CCN(C[C@@H](C)C#N)S(=O)(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000330378703	554113402	/nfs/dbraw/zinc/11/34/02/554113402.db2.gz	ROVOLGHFOFBAGD-XHSDSOJGSA-N	1	1	358.552	2.059	20	30		FEEDMO
CC[N@H+]1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)C1	ZINC000330505015	554130696	/nfs/dbraw/zinc/13/06/96/554130696.db2.gz	JQHJAVLVJMOGBR-HNNXBMFYSA-N	1	1	353.488	2.162	20	30		FEEDMO
C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CNC(=O)c1cccc(Br)c1	ZINC000330566238	554139085	/nfs/dbraw/zinc/13/90/85/554139085.db2.gz	AULMAHZWQTWALN-VXGBXAGGSA-N	1	1	368.275	2.305	20	30		FEEDMO
CC(=O)Nc1ccc(NC(=O)N2CCC([N@@H+](C)CCO)CC2)c(Cl)c1	ZINC000330896141	554184616	/nfs/dbraw/zinc/18/46/16/554184616.db2.gz	GQEFUDFHFJTQEA-UHFFFAOYSA-N	1	1	368.865	2.232	20	30		FEEDMO
CC(C)NC(=O)NC1(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCCCC1	ZINC000331007901	554200609	/nfs/dbraw/zinc/20/06/09/554200609.db2.gz	QOYJKNHAGVNWOK-INIZCTEOSA-N	1	1	352.523	2.402	20	30		FEEDMO
C=CCn1c(Cc2ccsc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000508811634	561773465	/nfs/dbraw/zinc/77/34/65/561773465.db2.gz	SYCXXVBKZAALSN-QGZVFWFLSA-N	1	1	373.526	2.275	20	30		FEEDMO
CCCCn1ncc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1C	ZINC000331309551	554245342	/nfs/dbraw/zinc/24/53/42/554245342.db2.gz	XUQSFYLHOHHPEQ-CQSZACIVSA-N	1	1	351.495	2.314	20	30		FEEDMO
C=CCn1c(CCc2ccco2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000508885361	561776775	/nfs/dbraw/zinc/77/67/75/561776775.db2.gz	OYTCDRMRGDOHTM-QGZVFWFLSA-N	1	1	371.485	2.001	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1	ZINC000331430467	554263273	/nfs/dbraw/zinc/26/32/73/554263273.db2.gz	CDEOQBYCEJZEMU-BMIGLBTASA-N	1	1	373.400	2.338	20	30		FEEDMO
C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](CCOCC)[C@@H](C)C1	ZINC000509013088	561781419	/nfs/dbraw/zinc/78/14/19/561781419.db2.gz	OEHPLCSVUJNETG-YESZJQIVSA-N	1	1	363.506	2.109	20	30		FEEDMO
Cn1nnc2cc(C[NH+]3CCN(c4cccc(F)c4C#N)CC3)ccc21	ZINC000509591254	561806558	/nfs/dbraw/zinc/80/65/58/561806558.db2.gz	HPIPIJBVVAUBJS-UHFFFAOYSA-N	1	1	350.401	2.301	20	30		FEEDMO
Cc1ncc(S(=O)(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N	ZINC000332612313	554483549	/nfs/dbraw/zinc/48/35/49/554483549.db2.gz	PLYUUFFFPOAZPM-GASCZTMLSA-N	1	1	364.515	2.298	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)C2)n1	ZINC000333055688	554565753	/nfs/dbraw/zinc/56/57/53/554565753.db2.gz	MDUYQCQIKWDSIK-SZMVWBNQSA-N	1	1	367.497	2.220	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1=O	ZINC000348559634	554688670	/nfs/dbraw/zinc/68/86/70/554688670.db2.gz	CCOGFDZHOWYPJT-UHOSZYNNSA-N	1	1	371.481	2.410	20	30		FEEDMO
C[NH+]1CCC(CNC(=O)c2ccc(CC#N)cc2)(N2CCCCC2)CC1	ZINC000360742598	554888317	/nfs/dbraw/zinc/88/83/17/554888317.db2.gz	ZGUGGDCDZLUGNA-UHFFFAOYSA-N	1	1	354.498	2.433	20	30		FEEDMO
C#CC[N@H+](C[C@H](O)COC)[C@H]1CCOc2ccc(Br)cc21	ZINC000362984414	555005638	/nfs/dbraw/zinc/00/56/38/555005638.db2.gz	PUWXIHGRIHPWFS-ZFWWWQNUSA-N	1	1	354.244	2.215	20	30		FEEDMO
C#CC[N@@H+](C[C@H](O)COC)[C@H]1CCOc2ccc(Br)cc21	ZINC000362984414	555005636	/nfs/dbraw/zinc/00/56/36/555005636.db2.gz	PUWXIHGRIHPWFS-ZFWWWQNUSA-N	1	1	354.244	2.215	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1cnc2ccc(C#N)cn12	ZINC000363236019	555060515	/nfs/dbraw/zinc/06/05/15/555060515.db2.gz	IYQMEYVEJXOKOI-ATZDWAIDSA-N	1	1	353.470	2.185	20	30		FEEDMO
C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000363236019	555060517	/nfs/dbraw/zinc/06/05/17/555060517.db2.gz	IYQMEYVEJXOKOI-ATZDWAIDSA-N	1	1	353.470	2.185	20	30		FEEDMO
C#Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c1	ZINC000363250080	555063435	/nfs/dbraw/zinc/06/34/35/555063435.db2.gz	ISJXMYASEGCKLY-QAPCUYQASA-N	1	1	367.474	2.477	20	30		FEEDMO
N#Cc1cccc(OCC[N@H+]2CCCN(C(=O)c3ccncc3)CC2)c1	ZINC000363395083	555094788	/nfs/dbraw/zinc/09/47/88/555094788.db2.gz	HZGZYSTUMZWCOH-UHFFFAOYSA-N	1	1	350.422	2.180	20	30		FEEDMO
N#Cc1cccc(OCC[N@@H+]2CCCN(C(=O)c3ccncc3)CC2)c1	ZINC000363395083	555094789	/nfs/dbraw/zinc/09/47/89/555094789.db2.gz	HZGZYSTUMZWCOH-UHFFFAOYSA-N	1	1	350.422	2.180	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)[nH]1	ZINC000614688583	555097128	/nfs/dbraw/zinc/09/71/28/555097128.db2.gz	MJNKYEDSBDMOON-IBGZPJMESA-N	1	1	352.442	2.468	20	30		FEEDMO
Cn1cc(C#N)c(=NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)[nH]1	ZINC000614688583	555097130	/nfs/dbraw/zinc/09/71/30/555097130.db2.gz	MJNKYEDSBDMOON-IBGZPJMESA-N	1	1	352.442	2.468	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CN2CCCCC2=O)CC1	ZINC000363547318	555133744	/nfs/dbraw/zinc/13/37/44/555133744.db2.gz	XVBOSSLFJHFIRK-KRWDZBQOSA-N	1	1	374.529	2.442	20	30		FEEDMO
COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000363941981	555218846	/nfs/dbraw/zinc/21/88/46/555218846.db2.gz	SFQWHOWYIUSCGB-SJORKVTESA-N	1	1	357.454	2.469	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1	ZINC000364544617	555333846	/nfs/dbraw/zinc/33/38/46/555333846.db2.gz	LHHYROFJVRJYSL-MEXCJMNJSA-N	1	1	359.470	2.286	20	30		FEEDMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C	ZINC000364553922	555336996	/nfs/dbraw/zinc/33/69/96/555336996.db2.gz	CUVMXHFJWVZTGR-GIYDNNGJSA-N	1	1	371.481	2.331	20	30		FEEDMO
C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000512512694	561907978	/nfs/dbraw/zinc/90/79/78/561907978.db2.gz	YTKQFMKUQBFGRG-KRWDZBQOSA-N	1	1	362.434	2.008	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@]3(CNC(=O)O3)C2)cc1Cl	ZINC000364795533	555405158	/nfs/dbraw/zinc/40/51/58/555405158.db2.gz	YNWFYFRKTYLZCK-KRWDZBQOSA-N	1	1	362.817	2.115	20	30		FEEDMO
N#CCC[C@@H](C#N)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1	ZINC000365181145	555503711	/nfs/dbraw/zinc/50/37/11/555503711.db2.gz	UZLVNHLSDCZUQV-QMTMVMCOSA-N	1	1	363.425	2.324	20	30		FEEDMO
N#CCC[C@@H](C#N)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1	ZINC000365181145	555503713	/nfs/dbraw/zinc/50/37/13/555503713.db2.gz	UZLVNHLSDCZUQV-QMTMVMCOSA-N	1	1	363.425	2.324	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([NH+]3CCC(OC4CCOCC4)CC3)C2=O)cc1	ZINC000365299542	555535905	/nfs/dbraw/zinc/53/59/05/555535905.db2.gz	IDRPALRITRZLIR-FQEVSTJZSA-N	1	1	369.465	2.324	20	30		FEEDMO
Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1	ZINC000365542954	555604288	/nfs/dbraw/zinc/60/42/88/555604288.db2.gz	AODYDDNHIOUKKH-SXLOBPIMSA-N	1	1	369.513	2.289	20	30		FEEDMO
CC(C)[N@H+](CC(=O)N1CCCCCC1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000513265582	561931610	/nfs/dbraw/zinc/93/16/10/561931610.db2.gz	GMFUGXLHJHUMLF-IBGZPJMESA-N	1	1	373.497	2.411	20	30		FEEDMO
C=CCCS(=O)(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1	ZINC000365792884	555668596	/nfs/dbraw/zinc/66/85/96/555668596.db2.gz	CNKFGPOGYAOIPR-DOTOQJQBSA-N	1	1	354.520	2.031	20	30		FEEDMO
CN(C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1(C#N)CCCCC1	ZINC000365872133	555689260	/nfs/dbraw/zinc/68/92/60/555689260.db2.gz	KLANJGBBSRYHHH-UHFFFAOYSA-N	1	1	374.445	2.113	20	30		FEEDMO
N#CC(CC[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)(c1ccccc1)c1ccccc1	ZINC000366335698	555814632	/nfs/dbraw/zinc/81/46/32/555814632.db2.gz	VEDLIMCRIONORT-WOJBJXKFSA-N	1	1	373.456	2.481	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CCC[C@H]3C(=O)NC[C@H]32)sc2c1CCCC2	ZINC000366903035	555964340	/nfs/dbraw/zinc/96/43/40/555964340.db2.gz	MTASHQCUUPRIAS-UKRRQHHQSA-N	1	1	372.494	2.038	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@]12CCOC2)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000366942573	555977982	/nfs/dbraw/zinc/97/79/82/555977982.db2.gz	FEYKMMVVRCYNMQ-SFHVURJKSA-N	1	1	366.383	2.428	20	30		FEEDMO
CN1CC[NH+]([C@H]2CCCCN(C(=O)c3cc(C#N)ccc3Cl)C2)CC1	ZINC000367638742	556102189	/nfs/dbraw/zinc/10/21/89/556102189.db2.gz	QGHLGMKRNPLNPA-INIZCTEOSA-N	1	1	360.889	2.454	20	30		FEEDMO
C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C	ZINC000514894127	561985432	/nfs/dbraw/zinc/98/54/32/561985432.db2.gz	UWFYWJVLWRIOLT-HUUCEWRRSA-N	1	1	362.522	2.301	20	30		FEEDMO
C[C@H](CO)[N@H+]1CCCN(c2c(C#N)cnc3c(F)c(F)c(F)cc32)CC1	ZINC000367826683	556148681	/nfs/dbraw/zinc/14/86/81/556148681.db2.gz	PHFUMZVWEYRXOE-LLVKDONJSA-N	1	1	364.371	2.417	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1	ZINC000368086388	556214811	/nfs/dbraw/zinc/21/48/11/556214811.db2.gz	XBMCINGQQMCYQV-IRXDYDNUSA-N	1	1	371.462	2.294	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c1	ZINC000368102256	556219926	/nfs/dbraw/zinc/21/99/26/556219926.db2.gz	XRQGQRSSMSRTLT-YQVWRLOYSA-N	1	1	368.481	2.007	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCc2sc(C)nc21	ZINC000369556392	556630249	/nfs/dbraw/zinc/63/02/49/556630249.db2.gz	LTZWGUOGMFQYNH-WCQYABFASA-N	1	1	350.488	2.204	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000516252636	562037554	/nfs/dbraw/zinc/03/75/54/562037554.db2.gz	JOYAYTZWFWGNHV-YRPNKDGESA-N	1	1	358.482	2.109	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCCc1cccc(C#N)c1	ZINC000369873668	556718244	/nfs/dbraw/zinc/71/82/44/556718244.db2.gz	MOEGGCXBTQMTDH-AHRSYUTCSA-N	1	1	370.497	2.289	20	30		FEEDMO
N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)cc1	ZINC000370008516	556756610	/nfs/dbraw/zinc/75/66/10/556756610.db2.gz	ORCHUASERVMXGD-JOCHJYFZSA-N	1	1	363.461	2.244	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1	ZINC000370231798	556817920	/nfs/dbraw/zinc/81/79/20/556817920.db2.gz	FVYIAHAQUAZXCH-ULGCDPTCSA-N	1	1	369.469	2.213	20	30		FEEDMO
CO/N=C/c1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1	ZINC000370231799	556817998	/nfs/dbraw/zinc/81/79/98/556817998.db2.gz	FVYIAHAQUAZXCH-VABFBZKRSA-N	1	1	369.469	2.213	20	30		FEEDMO
CC[C@@H](NC(=O)C1(C#N)CCOCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000370494412	556889167	/nfs/dbraw/zinc/88/91/67/556889167.db2.gz	DFTRRGLEOMEWQH-RTBURBONSA-N	1	1	371.481	2.103	20	30		FEEDMO
CC[C@@H](NC(=O)C1(C#N)CCOCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000370494412	556889173	/nfs/dbraw/zinc/88/91/73/556889173.db2.gz	DFTRRGLEOMEWQH-RTBURBONSA-N	1	1	371.481	2.103	20	30		FEEDMO
Cc1cc(CN2CCC([N@@H+](C)C[C@H](O)c3ccc(C#N)cc3)CC2)on1	ZINC000370557707	556908294	/nfs/dbraw/zinc/90/82/94/556908294.db2.gz	PCIQKRSHXLPITG-FQEVSTJZSA-N	1	1	354.454	2.485	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C#N	ZINC000370910045	557011509	/nfs/dbraw/zinc/01/15/09/557011509.db2.gz	YTFFKVPCQDDSSY-SJORKVTESA-N	1	1	358.442	2.330	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1	ZINC000371052344	557059301	/nfs/dbraw/zinc/05/93/01/557059301.db2.gz	IAOABCSXRWBCQL-GBESFXJTSA-N	1	1	356.470	2.188	20	30		FEEDMO
Cc1cc(=NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)[nH]n1CCC#N	ZINC000371416868	557179390	/nfs/dbraw/zinc/17/93/90/557179390.db2.gz	UUHJAGSHMRJKBI-UHFFFAOYSA-N	1	1	352.442	2.664	20	30		FEEDMO
C=CCN(C(=O)c1ccc(C(N)=O)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000371590453	557232084	/nfs/dbraw/zinc/23/20/84/557232084.db2.gz	NKRMTDIVFNSRFW-SFHVURJKSA-N	1	1	364.449	2.083	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000371635223	557246716	/nfs/dbraw/zinc/24/67/16/557246716.db2.gz	UFUOROLLAGJUSY-GOSISDBHSA-N	1	1	356.470	2.074	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1	ZINC000371706744	557270423	/nfs/dbraw/zinc/27/04/23/557270423.db2.gz	KQQDPXWWJFFRCA-OAHLLOKOSA-N	1	1	370.432	2.831	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC1	ZINC000518023387	562102900	/nfs/dbraw/zinc/10/29/00/562102900.db2.gz	OGINQXZVUVFYKP-UHFFFAOYSA-N	1	1	358.421	2.060	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)NCc2n[nH]c(-c3ccc(F)cc3)n2)CC1	ZINC000518023387	562102901	/nfs/dbraw/zinc/10/29/01/562102901.db2.gz	OGINQXZVUVFYKP-UHFFFAOYSA-N	1	1	358.421	2.060	20	30		FEEDMO
CC[C@H](NC(=O)N(C)C[C@H](C)C#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000372004746	557353893	/nfs/dbraw/zinc/35/38/93/557353893.db2.gz	UMFSDIYQLZQDFJ-NEWSRXKRSA-N	1	1	358.486	2.467	20	30		FEEDMO
CC[C@H](NC(=O)N(C)C[C@H](C)C#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000372004746	557353896	/nfs/dbraw/zinc/35/38/96/557353896.db2.gz	UMFSDIYQLZQDFJ-NEWSRXKRSA-N	1	1	358.486	2.467	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](OCc2csc(C)n2)C1	ZINC000372282245	557428975	/nfs/dbraw/zinc/42/89/75/557428975.db2.gz	LYSOWKVSQFNQEV-XJKSGUPXSA-N	1	1	350.488	2.051	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](OCc2csc(C)n2)C1	ZINC000372282245	557428977	/nfs/dbraw/zinc/42/89/77/557428977.db2.gz	LYSOWKVSQFNQEV-XJKSGUPXSA-N	1	1	350.488	2.051	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000372341415	557444842	/nfs/dbraw/zinc/44/48/42/557444842.db2.gz	BSFIYBCRFRYNMZ-ZMYBRWDISA-N	1	1	354.454	2.124	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC(=O)Nc1sccc1C#N	ZINC000372360896	557449597	/nfs/dbraw/zinc/44/95/97/557449597.db2.gz	XQTAKGZBFYDTPI-KBMXLJTQSA-N	1	1	362.499	2.037	20	30		FEEDMO
C=CCN(C(=O)NCCc1cnccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372487060	557483759	/nfs/dbraw/zinc/48/37/59/557483759.db2.gz	MKOJTYRDUKWNIL-FQEVSTJZSA-N	1	1	365.481	2.491	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H]4CCCCCC[C@H]43)CC2)o1	ZINC000372585782	557512982	/nfs/dbraw/zinc/51/29/82/557512982.db2.gz	JVGFXTKFGRXRBD-FUHWJXTLSA-N	1	1	371.485	2.158	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(F)c(C#N)c2Cl)CC1	ZINC000373014781	557610175	/nfs/dbraw/zinc/61/01/75/557610175.db2.gz	OWYFSRGERNLAGD-MRXNPFEDSA-N	1	1	364.852	2.089	20	30		FEEDMO
CC[C@H]1C[N@@H+](C)CCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1	ZINC000519838478	562146199	/nfs/dbraw/zinc/14/61/99/562146199.db2.gz	GVMFIFIEXRIPGE-KRWDZBQOSA-N	1	1	356.470	2.266	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1	ZINC000373586222	557723914	/nfs/dbraw/zinc/72/39/14/557723914.db2.gz	RCWNGLVMDYVKHC-ZDUSSCGKSA-N	1	1	374.426	2.390	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1	ZINC000373700195	557741195	/nfs/dbraw/zinc/74/11/95/557741195.db2.gz	LSGCVXREKOXSAT-LPHOPBHVSA-N	1	1	368.481	2.040	20	30		FEEDMO
CCO[C@@H](C)c1noc(CN2CCC[N@H+](Cc3cc(C#N)n(C)c3)CC2)n1	ZINC000373820906	557766781	/nfs/dbraw/zinc/76/67/81/557766781.db2.gz	CUUAXUUNKYSNRF-HNNXBMFYSA-N	1	1	372.473	2.085	20	30		FEEDMO
CCO[C@@H](C)c1noc(CN2CCC[N@@H+](Cc3cc(C#N)n(C)c3)CC2)n1	ZINC000373820906	557766783	/nfs/dbraw/zinc/76/67/83/557766783.db2.gz	CUUAXUUNKYSNRF-HNNXBMFYSA-N	1	1	372.473	2.085	20	30		FEEDMO
N#Cc1c(Cl)nsc1NC1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000373970542	557798693	/nfs/dbraw/zinc/79/86/93/557798693.db2.gz	REBAVXRHVRCIJB-UHFFFAOYSA-N	1	1	353.879	2.167	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c1	ZINC000374566676	557900609	/nfs/dbraw/zinc/90/06/09/557900609.db2.gz	RVCLOJQUUJWHBC-INIZCTEOSA-N	1	1	366.421	2.232	20	30		FEEDMO
N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)c3ccco3)C2)c1	ZINC000374566676	557900611	/nfs/dbraw/zinc/90/06/11/557900611.db2.gz	RVCLOJQUUJWHBC-INIZCTEOSA-N	1	1	366.421	2.232	20	30		FEEDMO
C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1)C1=CC[N@@H+](C)CC1	ZINC000374752076	557925422	/nfs/dbraw/zinc/92/54/22/557925422.db2.gz	QXMUQFAGBXFNRX-VQIMIIECSA-N	1	1	367.497	2.477	20	30		FEEDMO
N#C[C@@H]1C[N@@H+](CCCO[C@@H]2CCCCO2)C[C@@]12C(=O)Nc1ccccc12	ZINC000374861789	557942595	/nfs/dbraw/zinc/94/25/95/557942595.db2.gz	IODJMUXNJYCWMA-XFQXTVEOSA-N	1	1	355.438	2.265	20	30		FEEDMO
N#C[C@@H]1C[N@H+](CCCO[C@@H]2CCCCO2)C[C@@]12C(=O)Nc1ccccc12	ZINC000374861789	557942597	/nfs/dbraw/zinc/94/25/97/557942597.db2.gz	IODJMUXNJYCWMA-XFQXTVEOSA-N	1	1	355.438	2.265	20	30		FEEDMO
Cc1nc(CO[C@@H]2CC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)cs1	ZINC000374911264	557950075	/nfs/dbraw/zinc/95/00/75/557950075.db2.gz	JAEXRBZOYWDJMD-GOSISDBHSA-N	1	1	370.478	2.231	20	30		FEEDMO
Cc1nc(CO[C@@H]2CC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)cs1	ZINC000374911264	557950077	/nfs/dbraw/zinc/95/00/77/557950077.db2.gz	JAEXRBZOYWDJMD-GOSISDBHSA-N	1	1	370.478	2.231	20	30		FEEDMO
N#C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C[C@@H]3CCCc4ccccc43)C2)CCO1	ZINC000374929325	557952671	/nfs/dbraw/zinc/95/26/71/557952671.db2.gz	KTQULYJAOFLKAD-GBESFXJTSA-N	1	1	353.466	2.179	20	30		FEEDMO
COCC[C@H]1CCCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000375107230	557978994	/nfs/dbraw/zinc/97/89/94/557978994.db2.gz	ZQCHNTNXKJYALN-MRXNPFEDSA-N	1	1	350.484	2.471	20	30		FEEDMO
COCC[C@H]1CCCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1	ZINC000375107230	557978995	/nfs/dbraw/zinc/97/89/95/557978995.db2.gz	ZQCHNTNXKJYALN-MRXNPFEDSA-N	1	1	350.484	2.471	20	30		FEEDMO
CC(C)N1CC[NH+](CCCN2CCO[C@H](c3cccc(C#N)c3)C2)CC1	ZINC000375600198	558054818	/nfs/dbraw/zinc/05/48/18/558054818.db2.gz	SMLKFCKMOPHWIW-NRFANRHFSA-N	1	1	356.514	2.348	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)C[C@@H](CC#N)c3ccccc3)CC2)C1	ZINC000375694213	558068735	/nfs/dbraw/zinc/06/87/35/558068735.db2.gz	WIDOGODAMUYIBV-UXHICEINSA-N	1	1	354.498	2.312	20	30		FEEDMO
COc1ccc(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)cc1C#N	ZINC000375755653	558077579	/nfs/dbraw/zinc/07/75/79/558077579.db2.gz	GZPVUPAIJUFLEZ-ROUUACIJSA-N	1	1	373.453	2.436	20	30		FEEDMO
COc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)cc1C#N	ZINC000375755653	558077580	/nfs/dbraw/zinc/07/75/80/558077580.db2.gz	GZPVUPAIJUFLEZ-ROUUACIJSA-N	1	1	373.453	2.436	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1=O	ZINC000376128292	558130437	/nfs/dbraw/zinc/13/04/37/558130437.db2.gz	DWODPJOXUOCEDB-QRQLOZEOSA-N	1	1	370.497	2.078	20	30		FEEDMO
N#Cc1ccc(S(N)(=O)=O)cc1N[C@H]1CCC[N@H+](C2CCCCC2)C1	ZINC000376189792	558138794	/nfs/dbraw/zinc/13/87/94/558138794.db2.gz	TVYKUFJNJMJMRH-HNNXBMFYSA-N	1	1	362.499	2.415	20	30		FEEDMO
C[C@@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[N@@H+]1C1CCN(C)CC1	ZINC000376449177	558174775	/nfs/dbraw/zinc/17/47/75/558174775.db2.gz	LXXCRUXMXMUGCN-CQSZACIVSA-N	1	1	372.904	2.464	20	30		FEEDMO
C[C@@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[N@H+]1C1CCN(C)CC1	ZINC000376449177	558174776	/nfs/dbraw/zinc/17/47/76/558174776.db2.gz	LXXCRUXMXMUGCN-CQSZACIVSA-N	1	1	372.904	2.464	20	30		FEEDMO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1	ZINC000376689273	558209050	/nfs/dbraw/zinc/20/90/50/558209050.db2.gz	MBBSJULYPAKGKX-OAHLLOKOSA-N	1	1	361.490	2.295	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1	ZINC000377268765	558302497	/nfs/dbraw/zinc/30/24/97/558302497.db2.gz	UYAGMCQNWSVNSI-LJQANCHMSA-N	1	1	361.449	2.455	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000377470047	558346515	/nfs/dbraw/zinc/34/65/15/558346515.db2.gz	HEVLEGGMJBDTBQ-ZMMAXQRCSA-N	1	1	371.481	2.426	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000377470047	558346518	/nfs/dbraw/zinc/34/65/18/558346518.db2.gz	HEVLEGGMJBDTBQ-ZMMAXQRCSA-N	1	1	371.481	2.426	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1	ZINC000377578681	558369677	/nfs/dbraw/zinc/36/96/77/558369677.db2.gz	AJAVVTZMWFFLAZ-CVEARBPZSA-N	1	1	358.442	2.330	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1	ZINC000377676392	558394213	/nfs/dbraw/zinc/39/42/13/558394213.db2.gz	QKCLYKNQSMFUND-HXUWFJFHSA-N	1	1	369.513	2.409	20	30		FEEDMO
N#Cc1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1	ZINC000377844181	558433786	/nfs/dbraw/zinc/43/37/86/558433786.db2.gz	KIWVYJWUUCBWPH-CWRNSKLLSA-N	1	1	365.886	2.316	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000522890147	562205613	/nfs/dbraw/zinc/20/56/13/562205613.db2.gz	OKECFUJCTIVSFT-NVXWUHKLSA-N	1	1	359.470	2.304	20	30		FEEDMO
C=CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000378402530	558548642	/nfs/dbraw/zinc/54/86/42/558548642.db2.gz	MCYSCCVJSJOTPJ-MRXNPFEDSA-N	1	1	369.425	2.231	20	30		FEEDMO
Cc1cc(=NC(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)[nH]n1CCC#N	ZINC000378513447	558572845	/nfs/dbraw/zinc/57/28/45/558572845.db2.gz	SKRYUEMEQIGEBY-RHSMWYFYSA-N	1	1	372.498	2.981	20	30		FEEDMO
C[C@H](CCNS(=O)(=O)c1cccnc1C#N)[N@@H+](C)Cc1ccccc1	ZINC000379691440	558602439	/nfs/dbraw/zinc/60/24/39/558602439.db2.gz	DNJIEWSDUMEYBQ-OAHLLOKOSA-N	1	1	358.467	2.142	20	30		FEEDMO
C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000392357354	558617486	/nfs/dbraw/zinc/61/74/86/558617486.db2.gz	NZYISSHGGAGKKN-NVXWUHKLSA-N	1	1	350.484	2.347	20	30		FEEDMO
C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCS(=O)(=O)c1cccc(C#N)c1	ZINC000392357354	558617487	/nfs/dbraw/zinc/61/74/87/558617487.db2.gz	NZYISSHGGAGKKN-NVXWUHKLSA-N	1	1	350.484	2.347	20	30		FEEDMO
C[C@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)n1cnc(C#N)n1	ZINC000409458574	558694073	/nfs/dbraw/zinc/69/40/73/558694073.db2.gz	IASSKIMLSIFNES-HZPDHXFCSA-N	1	1	366.469	2.259	20	30		FEEDMO
C[C@H](C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)n1cnc(C#N)n1	ZINC000409851835	558723280	/nfs/dbraw/zinc/72/32/80/558723280.db2.gz	ANTHJMROWSAIHV-JFIYKMOQSA-N	1	1	366.469	2.128	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1	ZINC000410838628	558815543	/nfs/dbraw/zinc/81/55/43/558815543.db2.gz	BKSJIXYSVINIHZ-RBUKOAKNSA-N	1	1	355.482	2.001	20	30		FEEDMO
C=CC[NH+](CC=C)[C@@H](C)C(=O)NCc1ccc(CN2CCOCC2)cc1	ZINC000411163988	558847185	/nfs/dbraw/zinc/84/71/85/558847185.db2.gz	KZROADFTPQLPDL-SFHVURJKSA-N	1	1	357.498	2.198	20	30		FEEDMO
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000411197193	558852034	/nfs/dbraw/zinc/85/20/34/558852034.db2.gz	GNBKIJCRPMSPOQ-RBUKOAKNSA-N	1	1	369.465	2.182	20	30		FEEDMO
COC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000411197193	558852035	/nfs/dbraw/zinc/85/20/35/558852035.db2.gz	GNBKIJCRPMSPOQ-RBUKOAKNSA-N	1	1	369.465	2.182	20	30		FEEDMO
C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1	ZINC000411489516	558903694	/nfs/dbraw/zinc/90/36/94/558903694.db2.gz	QKEMJBHADUZVRV-SFHVURJKSA-N	1	1	368.481	2.442	20	30		FEEDMO
C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1	ZINC000411489516	558903695	/nfs/dbraw/zinc/90/36/95/558903695.db2.gz	QKEMJBHADUZVRV-SFHVURJKSA-N	1	1	368.481	2.442	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1	ZINC000411680557	558942534	/nfs/dbraw/zinc/94/25/34/558942534.db2.gz	XOOZSRBHNFKVRC-INIZCTEOSA-N	1	1	359.470	2.428	20	30		FEEDMO
CNC(=O)NC1CC[NH+](Cc2ccc(C#N)cc2Br)CC1	ZINC000412051488	559006786	/nfs/dbraw/zinc/00/67/86/559006786.db2.gz	CHCZYPRYEMDMES-UHFFFAOYSA-N	1	1	351.248	2.214	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@](O)(C(F)F)C2)sc2c1CCC2	ZINC000411801668	558966025	/nfs/dbraw/zinc/96/60/25/558966025.db2.gz	NCRFNAPIMNDJNQ-INIZCTEOSA-N	1	1	355.410	2.139	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(C)(C)C#N	ZINC000413441468	559108052	/nfs/dbraw/zinc/10/80/52/559108052.db2.gz	POGZODNCIPTPMR-QZTJIDSGSA-N	1	1	358.486	2.372	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CCSC[C@H](C(=O)OC)C2)cc(OC)c1O	ZINC000414566218	559172208	/nfs/dbraw/zinc/17/22/08/559172208.db2.gz	HZFOGOACXRKUSZ-OAHLLOKOSA-N	1	1	351.468	2.467	20	30		FEEDMO
C[C@@H]1CN(Cc2ccc(C#N)cc2Br)[C@@H](C)C[N@H+]1CCO	ZINC000419346356	559438856	/nfs/dbraw/zinc/43/88/56/559438856.db2.gz	VBPUCYGUXWZXPK-OLZOCXBDSA-N	1	1	352.276	2.208	20	30		FEEDMO
C[C@H](CNC(=O)NCC1(C#N)CCC1)[NH+]1CCN(c2ccccc2)CC1	ZINC000419430885	559441829	/nfs/dbraw/zinc/44/18/29/559441829.db2.gz	WMIRYQJVUXDZIL-QGZVFWFLSA-N	1	1	355.486	2.190	20	30		FEEDMO
N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO	ZINC000419604960	559449584	/nfs/dbraw/zinc/44/95/84/559449584.db2.gz	CZJHYIPUSGZYEV-PKOBYXMFSA-N	1	1	356.470	2.082	20	30		FEEDMO
CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCC1(C#N)CCC1	ZINC000419632202	559450545	/nfs/dbraw/zinc/45/05/45/559450545.db2.gz	WUHCQNFBEDEKJL-UHFFFAOYSA-N	1	1	355.486	2.144	20	30		FEEDMO
C[N@@H+](CCOc1cccc(CNc2cncc(C#N)n2)c1)C1CCOCC1	ZINC000420586573	559493014	/nfs/dbraw/zinc/49/30/14/559493014.db2.gz	OVXSJOHATYGXNN-UHFFFAOYSA-N	1	1	367.453	2.450	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cc(Br)ccc1C#N	ZINC000420738884	559501609	/nfs/dbraw/zinc/50/16/09/559501609.db2.gz	OJXFNBRVLCAMND-ZDUSSCGKSA-N	1	1	372.288	2.035	20	30		FEEDMO
N#Cc1ccc(CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)s1	ZINC000420778242	559503857	/nfs/dbraw/zinc/50/38/57/559503857.db2.gz	IWDMYKHBWNWROV-UHFFFAOYSA-N	1	1	370.478	2.451	20	30		FEEDMO
C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000420930002	559512260	/nfs/dbraw/zinc/51/22/60/559512260.db2.gz	RLWCOBUAQQZUEL-HZPDHXFCSA-N	1	1	362.474	2.085	20	30		FEEDMO
C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC(=O)N(CCC#N)CCC#N	ZINC000420930002	559512261	/nfs/dbraw/zinc/51/22/61/559512261.db2.gz	RLWCOBUAQQZUEL-HZPDHXFCSA-N	1	1	362.474	2.085	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000421292769	559536465	/nfs/dbraw/zinc/53/64/65/559536465.db2.gz	BSXKZWXHQKCTBB-LBPRGKRZSA-N	1	1	362.499	2.408	20	30		FEEDMO
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1	ZINC000425378409	559698688	/nfs/dbraw/zinc/69/86/88/559698688.db2.gz	BGZHHFXYMKHCTB-MNEFBYGVSA-N	1	1	368.481	2.020	20	30		FEEDMO
CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1	ZINC000425543032	559708811	/nfs/dbraw/zinc/70/88/11/559708811.db2.gz	RKKKNOUTYMHTPU-CRAIPNDOSA-N	1	1	357.454	2.495	20	30		FEEDMO
CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1	ZINC000425543032	559708812	/nfs/dbraw/zinc/70/88/12/559708812.db2.gz	RKKKNOUTYMHTPU-CRAIPNDOSA-N	1	1	357.454	2.495	20	30		FEEDMO
CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)C1	ZINC000425886184	559723976	/nfs/dbraw/zinc/72/39/76/559723976.db2.gz	PWMLZQNOXNQJJV-WMZOPIPTSA-N	1	1	370.497	2.314	20	30		FEEDMO
Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000428818569	559784119	/nfs/dbraw/zinc/78/41/19/559784119.db2.gz	NOUOXLAKYLSOEF-RBUKOAKNSA-N	1	1	367.449	2.463	20	30		FEEDMO
COc1c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c(C)nn1C	ZINC000433328333	559877002	/nfs/dbraw/zinc/87/70/02/559877002.db2.gz	RKXDYUIGEIBKTO-UHFFFAOYSA-N	1	1	365.441	2.199	20	30		FEEDMO
CS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1	ZINC000435770856	559929834	/nfs/dbraw/zinc/92/98/34/559929834.db2.gz	RGXPOLSAZLPIQQ-KRWDZBQOSA-N	1	1	365.499	2.130	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1	ZINC000437626326	559966973	/nfs/dbraw/zinc/96/69/73/559966973.db2.gz	IRHZEQSFYMTXSA-KSZLIROESA-N	1	1	353.507	2.014	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N=c2ccn(CCC#N)[nH]2)C1	ZINC000438334681	559977532	/nfs/dbraw/zinc/97/75/32/559977532.db2.gz	MPMRZHSGGLLDLX-DOTOQJQBSA-N	1	1	352.442	2.754	20	30		FEEDMO
CCc1cnc(N2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)s1	ZINC000438819833	559984097	/nfs/dbraw/zinc/98/40/97/559984097.db2.gz	MYOHVVXROYZNAX-MRXNPFEDSA-N	1	1	372.494	2.139	20	30		FEEDMO
C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1ccccc1SCCC#N	ZINC000439356064	559992895	/nfs/dbraw/zinc/99/28/95/559992895.db2.gz	UJYJTPUFVZTGOQ-CQSZACIVSA-N	1	1	360.483	2.183	20	30		FEEDMO
N#Cc1ccc(CCC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000440518577	560013566	/nfs/dbraw/zinc/01/35/66/560013566.db2.gz	JTKUVMDJXYXPDU-QFIPXVFZSA-N	1	1	363.461	2.244	20	30		FEEDMO
N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(C(F)(F)F)n[nH]3)C2=O)cc1	ZINC000440627853	560015090	/nfs/dbraw/zinc/01/50/90/560015090.db2.gz	JAHKIUWXYLDIRM-AWEZNQCLSA-N	1	1	363.343	2.191	20	30		FEEDMO
CCO[C@H]1C[C@@](CO)([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C1(C)C	ZINC000444806254	560121212	/nfs/dbraw/zinc/12/12/12/560121212.db2.gz	WSBPBVJKGSORTM-KXBFYZLASA-N	1	1	356.426	2.264	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C	ZINC000447922456	560173040	/nfs/dbraw/zinc/17/30/40/560173040.db2.gz	AOJDJVYNKJRSBK-LVCYWYKZSA-N	1	1	373.497	2.037	20	30		FEEDMO
Cc1[nH]c(C#N)cc1C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1	ZINC000449992947	560247639	/nfs/dbraw/zinc/24/76/39/560247639.db2.gz	ZZAZJZBKCINWJK-UHFFFAOYSA-N	1	1	367.453	2.073	20	30		FEEDMO
CNc1nc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc2ccccc21	ZINC000450220975	560254315	/nfs/dbraw/zinc/25/43/15/560254315.db2.gz	NCHLEUYBQZNXNN-UHFFFAOYSA-N	1	1	358.449	2.865	20	30		FEEDMO
C=CC[N@@H+](C[C@@H]1CCNC(=O)CC1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000450392705	560261039	/nfs/dbraw/zinc/26/10/39/560261039.db2.gz	NPXLCJWHWKLBFV-CVEARBPZSA-N	1	1	354.458	2.128	20	30		FEEDMO
C[N@H+]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C(C)(C)C1	ZINC000450520137	560264957	/nfs/dbraw/zinc/26/49/57/560264957.db2.gz	UMKZSTWTHSLGAI-UHFFFAOYSA-N	1	1	366.259	2.252	20	30		FEEDMO
C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000450615932	560268066	/nfs/dbraw/zinc/26/80/66/560268066.db2.gz	QDGIKWNMMUDTAH-LXGVVRJTSA-N	1	1	361.445	2.496	20	30		FEEDMO
C[C@H](c1ccccc1)[C@H](O)C[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O	ZINC000450615932	560268067	/nfs/dbraw/zinc/26/80/67/560268067.db2.gz	QDGIKWNMMUDTAH-LXGVVRJTSA-N	1	1	361.445	2.496	20	30		FEEDMO
COC[C@@]1(C(=O)OC)CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1	ZINC000451338429	560301230	/nfs/dbraw/zinc/30/12/30/560301230.db2.gz	SQFDUMPZKQBYLY-QGZVFWFLSA-N	1	1	371.355	2.448	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H]([C@H](O)C(F)(F)F)C3)C2=O)cc1	ZINC000451882225	560334283	/nfs/dbraw/zinc/33/42/83/560334283.db2.gz	CJJZTMSFOGCRMF-BPUTZDHNSA-N	1	1	367.371	2.299	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H]([C@H](O)C(F)(F)F)C3)C2=O)cc1	ZINC000451882225	560334284	/nfs/dbraw/zinc/33/42/84/560334284.db2.gz	CJJZTMSFOGCRMF-BPUTZDHNSA-N	1	1	367.371	2.299	20	30		FEEDMO
CC(C)OCCOC1CC[NH+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1	ZINC000451956180	560340500	/nfs/dbraw/zinc/34/05/00/560340500.db2.gz	NMFNUPAKIMMWFL-APWZRJJASA-N	1	1	353.507	2.335	20	30		FEEDMO
C=CCn1c([C@@H]2CCCCO2)nnc1N1CC[N@@H+](CCOC)[C@@H](CC)C1	ZINC000453438653	560386634	/nfs/dbraw/zinc/38/66/34/560386634.db2.gz	KQOROEOKUYCHRQ-IRXDYDNUSA-N	1	1	363.506	2.253	20	30		FEEDMO
C=CCn1c([C@H]2CCCCO2)nnc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000453440898	560386653	/nfs/dbraw/zinc/38/66/53/560386653.db2.gz	NMPVATNEBGEKDP-IXDOHACOSA-N	1	1	363.506	2.251	20	30		FEEDMO
C=CCn1c([C@H]2CCCCO2)nnc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000453440898	560386654	/nfs/dbraw/zinc/38/66/54/560386654.db2.gz	NMPVATNEBGEKDP-IXDOHACOSA-N	1	1	363.506	2.251	20	30		FEEDMO
C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[N@H+](CCOCC)[C@H](C)C1	ZINC000453459613	560387300	/nfs/dbraw/zinc/38/73/00/560387300.db2.gz	CRLXNDVWAUOPAB-IAGOWNOFSA-N	1	1	363.506	2.253	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1	ZINC000453582886	560389731	/nfs/dbraw/zinc/38/97/31/560389731.db2.gz	TVDUUEHUGYHELH-KRWDZBQOSA-N	1	1	366.421	2.352	20	30		FEEDMO
CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453652711	560393575	/nfs/dbraw/zinc/39/35/75/560393575.db2.gz	OQRIBNWXYXGRQC-INIZCTEOSA-N	1	1	362.861	2.143	20	30		FEEDMO
CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453652711	560393576	/nfs/dbraw/zinc/39/35/76/560393576.db2.gz	OQRIBNWXYXGRQC-INIZCTEOSA-N	1	1	362.861	2.143	20	30		FEEDMO
N#CCc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1	ZINC000453659157	560394190	/nfs/dbraw/zinc/39/41/90/560394190.db2.gz	OTCMDTDCWPVBST-GOSISDBHSA-N	1	1	354.454	2.072	20	30		FEEDMO
C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(CC#N)c2)[C@H]1c1ccccc1	ZINC000453686231	560396696	/nfs/dbraw/zinc/39/66/96/560396696.db2.gz	DNEKUUKQKZYBLM-RTBURBONSA-N	1	1	362.433	2.253	20	30		FEEDMO
CC(C)C[C@@H](CNC(=O)NCc1ccc(C#N)c(F)c1)[NH+]1CCOCC1	ZINC000454223736	560435253	/nfs/dbraw/zinc/43/52/53/560435253.db2.gz	GGHGXLLUQXOOKS-KRWDZBQOSA-N	1	1	362.449	2.243	20	30		FEEDMO
Cc1cc(C#N)cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1	ZINC000455953092	560501756	/nfs/dbraw/zinc/50/17/56/560501756.db2.gz	JSGZVPDHLOLZRO-AYHJJNSGSA-N	1	1	369.469	2.072	20	30		FEEDMO
CC[N@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)c2cc(C)c(C#N)cn2)C1	ZINC000457763329	560586473	/nfs/dbraw/zinc/58/64/73/560586473.db2.gz	LGJBXDGJLFWABY-UHFFFAOYSA-N	1	1	372.469	2.186	20	30		FEEDMO
CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(NC(=O)c2cc(C)c(C#N)cn2)C1	ZINC000457763329	560586475	/nfs/dbraw/zinc/58/64/75/560586475.db2.gz	LGJBXDGJLFWABY-UHFFFAOYSA-N	1	1	372.469	2.186	20	30		FEEDMO
N#CC[C@H](CC(=O)NCC1([NH+]2CCOCC2)CCOCC1)c1ccccc1	ZINC000457986273	560598181	/nfs/dbraw/zinc/59/81/81/560598181.db2.gz	VJKQIXRNPSNGDE-LJQANCHMSA-N	1	1	371.481	2.072	20	30		FEEDMO
C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N(C)CC(C)(C)C#N	ZINC000458441757	560623526	/nfs/dbraw/zinc/62/35/26/560623526.db2.gz	NRMZPHCXSJVSOU-KRWDZBQOSA-N	1	1	357.502	2.388	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1	ZINC000459040969	560663444	/nfs/dbraw/zinc/66/34/44/560663444.db2.gz	LKHLYZDDDJBJTR-UXHICEINSA-N	1	1	372.513	2.184	20	30		FEEDMO
CCO[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000459204250	560674121	/nfs/dbraw/zinc/67/41/21/560674121.db2.gz	VYLPFYUROXIDDF-KDURUIRLSA-N	1	1	356.470	2.343	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO	ZINC000459257791	560676527	/nfs/dbraw/zinc/67/65/27/560676527.db2.gz	KOROTWYWFAFNNR-ZWKOTPCHSA-N	1	1	358.486	2.108	20	30		FEEDMO
N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCCOc1cccc(C(F)(F)F)c1	ZINC000459475405	560688784	/nfs/dbraw/zinc/68/87/84/560688784.db2.gz	ZWRKGTZOKMHIBB-SWLSCSKDSA-N	1	1	355.360	2.482	20	30		FEEDMO
Cc1nsc(NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)c1C#N	ZINC000459549643	560693612	/nfs/dbraw/zinc/69/36/12/560693612.db2.gz	FQOYMIZEMYHCKL-ZDUSSCGKSA-N	1	1	351.476	2.192	20	30		FEEDMO
CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1	ZINC000459826526	560711155	/nfs/dbraw/zinc/71/11/55/560711155.db2.gz	MGAUITMHVCFXKI-DLBZAZTESA-N	1	1	360.458	2.034	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1	ZINC000459863235	560714555	/nfs/dbraw/zinc/71/45/55/560714555.db2.gz	FNPUWNQWIZNDQU-MRXNPFEDSA-N	1	1	363.527	2.453	20	30		FEEDMO
C=C(C)Cn1c(-c2ccoc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1	ZINC000460796507	560752182	/nfs/dbraw/zinc/75/21/82/560752182.db2.gz	VJOFLECZLJSORZ-SFHVURJKSA-N	1	1	370.501	2.330	20	30		FEEDMO
COCC[N@@H+](C)CCCC1CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1	ZINC000461964908	560790037	/nfs/dbraw/zinc/79/00/37/560790037.db2.gz	WMCTWISTPICAOV-QZTJIDSGSA-N	1	1	350.507	2.459	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cc(C#N)cc2F)C[C@H]1C	ZINC000467155407	560905077	/nfs/dbraw/zinc/90/50/77/560905077.db2.gz	OIGPZRUKMXWBAX-YPMHNXCESA-N	1	1	357.426	2.330	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C1=O	ZINC000467522129	560911915	/nfs/dbraw/zinc/91/19/15/560911915.db2.gz	UGPHCLFBBDMUMR-QGZVFWFLSA-N	1	1	356.426	2.176	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C(=O)OC)[C@H]2C)cc1	ZINC000469846670	560966460	/nfs/dbraw/zinc/96/64/60/560966460.db2.gz	NXGMIEANQVZNFF-CRAIPNDOSA-N	1	1	373.453	2.215	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C(=O)OC)[C@H]2C)cc1	ZINC000469846670	560966461	/nfs/dbraw/zinc/96/64/61/560966461.db2.gz	NXGMIEANQVZNFF-CRAIPNDOSA-N	1	1	373.453	2.215	20	30		FEEDMO
C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000470611515	560985664	/nfs/dbraw/zinc/98/56/64/560985664.db2.gz	IWBQFIIPHOXDAL-XQQFMLRXSA-N	1	1	371.453	2.481	20	30		FEEDMO
C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(F)cc(C#N)cc1F	ZINC000470611515	560985665	/nfs/dbraw/zinc/98/56/65/560985665.db2.gz	IWBQFIIPHOXDAL-XQQFMLRXSA-N	1	1	371.453	2.481	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCN(C)C[C@@H]2C(C)C)c(OC)c1	ZINC000471211255	561000672	/nfs/dbraw/zinc/00/06/72/561000672.db2.gz	ILBPLRQUQQWPMM-RBUKOAKNSA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)CN2CC[N@H+](C)C[C@@H]2C(C)C)c(OC)c1	ZINC000471211255	561000673	/nfs/dbraw/zinc/00/06/73/561000673.db2.gz	ILBPLRQUQQWPMM-RBUKOAKNSA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCc1ccc(OC[C@@H](O)CN2CC[N@@H+](C)C[C@@H]2C(C)C)c(OC)c1	ZINC000471211255	561000674	/nfs/dbraw/zinc/00/06/74/561000674.db2.gz	ILBPLRQUQQWPMM-RBUKOAKNSA-N	1	1	362.514	2.435	20	30		FEEDMO
C=CCC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1	ZINC000472583802	561029945	/nfs/dbraw/zinc/02/99/45/561029945.db2.gz	BRUIDBXGVSCCCD-IEBWSBKVSA-N	1	1	360.498	2.488	20	30		FEEDMO
C=CCC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1	ZINC000472583805	561030065	/nfs/dbraw/zinc/03/00/65/561030065.db2.gz	BRUIDBXGVSCCCD-MJGOQNOKSA-N	1	1	360.498	2.488	20	30		FEEDMO
C=CCOc1cccc(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1	ZINC000473296418	561046905	/nfs/dbraw/zinc/04/69/05/561046905.db2.gz	ZYPVVNJWNFQLKK-QGZVFWFLSA-N	1	1	371.481	2.380	20	30		FEEDMO
CC(C)[C@@H](CNC(=O)c1cnn(C)c1C#N)[N@H+]1CCc2ccccc2C1	ZINC000474779442	561082690	/nfs/dbraw/zinc/08/26/90/561082690.db2.gz	GWVPJTDAZQFDQF-LJQANCHMSA-N	1	1	351.454	2.104	20	30		FEEDMO
COc1cccc([C@@H]2[C@@H](NC(=O)c3cnn(C)c3C#N)CC[N@H+]2C2CC2)c1	ZINC000476603772	561124079	/nfs/dbraw/zinc/12/40/79/561124079.db2.gz	WIZBGUFFHFPNLR-PKOBYXMFSA-N	1	1	365.437	2.008	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1	ZINC000528436289	562329203	/nfs/dbraw/zinc/32/92/03/562329203.db2.gz	AYGKCKDWWPKRPF-UXHICEINSA-N	1	1	352.434	2.241	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1	ZINC000528436289	562329204	/nfs/dbraw/zinc/32/92/04/562329204.db2.gz	AYGKCKDWWPKRPF-UXHICEINSA-N	1	1	352.434	2.241	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12	ZINC000528454155	562330193	/nfs/dbraw/zinc/33/01/93/562330193.db2.gz	YCEDCTMVCRDLJK-WIYYLYMNSA-N	1	1	350.418	2.429	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)ccc1F	ZINC000528476816	562331338	/nfs/dbraw/zinc/33/13/38/562331338.db2.gz	NCFSFJUVLZGPAC-OAHLLOKOSA-N	1	1	351.447	2.383	20	30		FEEDMO
COc1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)CC2	ZINC000528480830	562331473	/nfs/dbraw/zinc/33/14/73/562331473.db2.gz	KTJXOWYHJHUOCI-GOSISDBHSA-N	1	1	352.434	2.407	20	30		FEEDMO
C[N@@H+]1CC[C@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1	ZINC000528495708	562332264	/nfs/dbraw/zinc/33/22/64/562332264.db2.gz	ZPMZRGOCRRDNSZ-LEWJYISDSA-N	1	1	373.456	2.321	20	30		FEEDMO
C[N@H+]1CC[C@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1	ZINC000528495708	562332265	/nfs/dbraw/zinc/33/22/65/562332265.db2.gz	ZPMZRGOCRRDNSZ-LEWJYISDSA-N	1	1	373.456	2.321	20	30		FEEDMO
C[N@H+]1CCN(C[C@@H](O)COc2ccccc2C#N)[C@H](Cc2ccccc2)C1	ZINC000528535419	562334822	/nfs/dbraw/zinc/33/48/22/562334822.db2.gz	UYIOOQDMRWLBDQ-NHCUHLMSSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)[C@H](Cc2ccccc2)C1	ZINC000528535419	562334823	/nfs/dbraw/zinc/33/48/23/562334823.db2.gz	UYIOOQDMRWLBDQ-NHCUHLMSSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)[C@H](Cc2ccccc2)C1	ZINC000528535419	562334824	/nfs/dbraw/zinc/33/48/24/562334824.db2.gz	UYIOOQDMRWLBDQ-NHCUHLMSSA-N	1	1	365.477	2.157	20	30		FEEDMO
N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@](O)(c2ccccc2)C1	ZINC000528658517	562340629	/nfs/dbraw/zinc/34/06/29/562340629.db2.gz	PQYKBMBJYVWPSK-FPOVZHCZSA-N	1	1	352.434	2.282	20	30		FEEDMO
C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1	ZINC000533377879	562506897	/nfs/dbraw/zinc/50/68/97/562506897.db2.gz	DAQCARHBKXXYOY-QGZVFWFLSA-N	1	1	373.464	2.413	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000534129336	562526101	/nfs/dbraw/zinc/52/61/01/562526101.db2.gz	NHMVWZWRNPAXBN-FUHWJXTLSA-N	1	1	354.454	2.018	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](N2CCCC2=O)C1	ZINC000534129336	562526102	/nfs/dbraw/zinc/52/61/02/562526102.db2.gz	NHMVWZWRNPAXBN-FUHWJXTLSA-N	1	1	354.454	2.018	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)OCC	ZINC000534185284	562527025	/nfs/dbraw/zinc/52/70/25/562527025.db2.gz	LDUVQCRPYMSITJ-ZCNNSNEGSA-N	1	1	360.498	2.357	20	30		FEEDMO
CCN(CC)C(=O)C1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1	ZINC000535922359	562570997	/nfs/dbraw/zinc/57/09/97/562570997.db2.gz	IWSMVBUNTCYVAT-UHFFFAOYSA-N	1	1	357.454	2.425	20	30		FEEDMO
N#Cc1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3[C@@H]3CNC(=O)C3)o2)cc1	ZINC000536545415	562578691	/nfs/dbraw/zinc/57/86/91/562578691.db2.gz	WGNULGXPFSRYEZ-HOTGVXAUSA-N	1	1	351.410	2.099	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000540962536	562598614	/nfs/dbraw/zinc/59/86/14/562598614.db2.gz	FBRPDYTVRIMQON-DAYGRLMNSA-N	1	1	354.454	2.043	20	30		FEEDMO
N#C[C@H]1CN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CCN1Cc1ccccc1	ZINC000602099254	567926663	/nfs/dbraw/zinc/92/66/63/567926663.db2.gz	ZAGPJKRHQHAKFV-PMACEKPBSA-N	1	1	352.482	2.240	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1	ZINC000604521602	568308164	/nfs/dbraw/zinc/30/81/64/568308164.db2.gz	JQBHOLKPAZABRE-UHFFFAOYSA-N	1	1	371.422	2.436	20	30		FEEDMO
CC1(C)COC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000569320013	568375623	/nfs/dbraw/zinc/37/56/23/568375623.db2.gz	DSRRQIKGZBNCKR-SFHVURJKSA-N	1	1	356.470	2.201	20	30		FEEDMO
C[C@@H]1COCC[N@@H+]1C1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000569588352	568408697	/nfs/dbraw/zinc/40/86/97/568408697.db2.gz	LEQKYRUDHKCCFE-CQSZACIVSA-N	1	1	362.499	2.133	20	30		FEEDMO
C[C@@H]1COCC[N@H+]1C1CCN(CCC(=O)Nc2sccc2C#N)CC1	ZINC000569588352	568408698	/nfs/dbraw/zinc/40/86/98/568408698.db2.gz	LEQKYRUDHKCCFE-CQSZACIVSA-N	1	1	362.499	2.133	20	30		FEEDMO
CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1	ZINC000569756825	568421355	/nfs/dbraw/zinc/42/13/55/568421355.db2.gz	NWNQKKIXMFVMKN-UHFFFAOYSA-N	1	1	354.454	2.220	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1)[N@H+](C)Cc1ccccc1	ZINC000735551714	599193057	/nfs/dbraw/zinc/19/30/57/599193057.db2.gz	RXQYQTGQWRKJCQ-CYBMUJFWSA-N	1	1	361.409	2.197	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(C#N)c1)[N@@H+](C)Cc1ccccc1	ZINC000735551714	599193059	/nfs/dbraw/zinc/19/30/59/599193059.db2.gz	RXQYQTGQWRKJCQ-CYBMUJFWSA-N	1	1	361.409	2.197	20	30		FEEDMO
N#Cc1ccnc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c1Cl	ZINC000557625276	674458008	/nfs/dbraw/zinc/45/80/08/674458008.db2.gz	LFWMIIVJKSFAGI-SJORKVTESA-N	1	1	356.857	2.902	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1	ZINC000735390683	599311337	/nfs/dbraw/zinc/31/13/37/599311337.db2.gz	BRCOSQPPLYNCBS-CQSZACIVSA-N	1	1	360.421	2.480	20	30		FEEDMO
C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccc(-c3nn[nH]n3)cc2)c1	ZINC000735390683	599311339	/nfs/dbraw/zinc/31/13/39/599311339.db2.gz	BRCOSQPPLYNCBS-CQSZACIVSA-N	1	1	360.421	2.480	20	30		FEEDMO
Cc1cc(N2CCC[C@H]([NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)nc(C)[nH+]1	ZINC000738409296	600568909	/nfs/dbraw/zinc/56/89/09/600568909.db2.gz	SLOCCMZEIXEPBQ-HKUYNNGSSA-N	1	1	365.437	2.349	20	30		FEEDMO
Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000558344619	674491974	/nfs/dbraw/zinc/49/19/74/674491974.db2.gz	ZUAIFORTVVBDFX-UHFFFAOYSA-N	1	1	366.393	2.367	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2sc(Br)cc2[N+](=O)[O-])CC1	ZINC000558938578	674520915	/nfs/dbraw/zinc/52/09/15/674520915.db2.gz	KBZMBLRWSJXRGJ-UHFFFAOYSA-N	1	1	373.232	2.137	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000823903726	608461081	/nfs/dbraw/zinc/46/10/81/608461081.db2.gz	IRQZOYIYNLEJDZ-UHFFFAOYSA-N	1	1	364.453	2.156	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000823903726	608461082	/nfs/dbraw/zinc/46/10/82/608461082.db2.gz	IRQZOYIYNLEJDZ-UHFFFAOYSA-N	1	1	364.453	2.156	20	30		FEEDMO
Cc1nn(C)c(N2CCN(c3cc[nH+]cc3Br)CC2)c1C#N	ZINC000561341057	674658133	/nfs/dbraw/zinc/65/81/33/674658133.db2.gz	FCSCARCDSOWKJH-UHFFFAOYSA-N	1	1	361.247	2.084	20	30		FEEDMO
CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3snc(C)c3C#N)C2)CC1	ZINC000562701906	674789989	/nfs/dbraw/zinc/78/99/89/674789989.db2.gz	IWPYQAPMDMBQNB-MRXNPFEDSA-N	1	1	361.515	2.094	20	30		FEEDMO
CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccc(Br)c1C#N	ZINC000563133890	674848798	/nfs/dbraw/zinc/84/87/98/674848798.db2.gz	FRWKGGVCPOQUAQ-LLVKDONJSA-N	1	1	372.288	2.083	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](N2CCCC2=O)CC1	ZINC000563233149	674863123	/nfs/dbraw/zinc/86/31/23/674863123.db2.gz	MSBXTNHHHFBBBB-OAHLLOKOSA-N	1	1	360.483	2.425	20	30		FEEDMO
C=CCC(F)(F)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	ZINC000815039218	674905531	/nfs/dbraw/zinc/90/55/31/674905531.db2.gz	GKHPPQGCAJLOHL-UHFFFAOYSA-N	1	1	361.433	2.257	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(C(=O)C(C)(C)C)cc1	ZINC000815082847	674914036	/nfs/dbraw/zinc/91/40/36/674914036.db2.gz	HOKDKATZPUSGPM-UHFFFAOYSA-N	1	1	350.484	2.149	20	30		FEEDMO
C=CC[N@H+](C[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C1CC1	ZINC000816568838	675065911	/nfs/dbraw/zinc/06/59/11/675065911.db2.gz	ROTYKOPQINKQDT-HNNXBMFYSA-N	1	1	351.491	2.400	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[NH+](CC34CCC(CC3)C4)CC2)cc1	ZINC000571566422	670894189	/nfs/dbraw/zinc/89/41/89/670894189.db2.gz	PLFWWHLGJHPMFY-UHFFFAOYSA-N	1	1	359.495	2.445	20	30		FEEDMO
Cc1cnc([C@H]([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)s1	ZINC000573040505	671074391	/nfs/dbraw/zinc/07/43/91/671074391.db2.gz	IMSULHILYYKADO-OAHLLOKOSA-N	1	1	362.480	2.233	20	30		FEEDMO
COc1ncc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)cc1Cl	ZINC000575248538	671307705	/nfs/dbraw/zinc/30/77/05/671307705.db2.gz	KHXZPJHTAGWLFC-UHFFFAOYSA-N	1	1	365.842	2.179	20	30		FEEDMO
C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCC(CC#N)CC2)ccc1Cl	ZINC000577047091	671412847	/nfs/dbraw/zinc/41/28/47/671412847.db2.gz	JSNZVBYGNMZSOI-UHFFFAOYSA-N	1	1	362.861	2.492	20	30		FEEDMO
CCNC(=O)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000609144129	675911908	/nfs/dbraw/zinc/91/19/08/675911908.db2.gz	MYXPTWKQNXBQCW-GFCCVEGCSA-N	1	1	362.499	2.141	20	30		FEEDMO
CC(C)[C@H](C#N)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1	ZINC000609537741	675925239	/nfs/dbraw/zinc/92/52/39/675925239.db2.gz	DDFUZYOUTSATIY-WMZOPIPTSA-N	1	1	351.878	2.245	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)COc2cccc(Br)c2C#N)C1	ZINC000579673471	671751986	/nfs/dbraw/zinc/75/19/86/671751986.db2.gz	KPEMPFITVYQQGY-GFCCVEGCSA-N	1	1	366.259	2.158	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1	ZINC000610080802	675951695	/nfs/dbraw/zinc/95/16/95/675951695.db2.gz	PHVDSGGJLJNGIQ-INIZCTEOSA-N	1	1	359.426	2.250	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1	ZINC000610080802	675951700	/nfs/dbraw/zinc/95/17/00/675951700.db2.gz	PHVDSGGJLJNGIQ-INIZCTEOSA-N	1	1	359.426	2.250	20	30		FEEDMO
CSC[C@H]1CCC[N@H+]1CN1CC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000131004859	672082824	/nfs/dbraw/zinc/08/28/24/672082824.db2.gz	OGRGGXCEAVNBGZ-MRXNPFEDSA-N	1	1	358.467	2.107	20	30		FEEDMO
COCCOCC[N@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000584255239	672170513	/nfs/dbraw/zinc/17/05/13/672170513.db2.gz	AEBIIVQLRNQAOM-GFCCVEGCSA-N	1	1	351.472	2.030	20	30		FEEDMO
COCCOCC[N@@H+](C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000584255239	672170515	/nfs/dbraw/zinc/17/05/15/672170515.db2.gz	AEBIIVQLRNQAOM-GFCCVEGCSA-N	1	1	351.472	2.030	20	30		FEEDMO
C=C[C@](C)(O)CC(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1	ZINC000584439603	672187768	/nfs/dbraw/zinc/18/77/68/672187768.db2.gz	DJVKYYFGYCCPGZ-IBGZPJMESA-N	1	1	365.905	2.295	20	30		FEEDMO
C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1	ZINC000159401864	672281535	/nfs/dbraw/zinc/28/15/35/672281535.db2.gz	SZUUXCQXECHQKD-NVXWUHKLSA-N	1	1	365.499	2.271	20	30		FEEDMO
C[C@H](NC(=O)c1ncc(C#N)cc1Cl)C1([NH+]2CCOCC2)CCCC1	ZINC000610908335	676004982	/nfs/dbraw/zinc/00/49/82/676004982.db2.gz	IGEIQJGDAVNVFM-ZDUSSCGKSA-N	1	1	362.861	2.370	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1	ZINC000611106998	676018166	/nfs/dbraw/zinc/01/81/66/676018166.db2.gz	MOCDJMKVAZYYHA-NSHDSACASA-N	1	1	359.373	2.092	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1	ZINC000611106998	676018167	/nfs/dbraw/zinc/01/81/67/676018167.db2.gz	MOCDJMKVAZYYHA-NSHDSACASA-N	1	1	359.373	2.092	20	30		FEEDMO
C[N@H+](CCn1cc(Br)cn1)Cc1cnc2ccc(C#N)cn12	ZINC000589210527	672513520	/nfs/dbraw/zinc/51/35/20/672513520.db2.gz	SDDCWDVMTBUQQN-UHFFFAOYSA-N	1	1	359.231	2.297	20	30		FEEDMO
C[N@@H+](CCn1cc(Br)cn1)Cc1cnc2ccc(C#N)cn12	ZINC000589210527	672513524	/nfs/dbraw/zinc/51/35/24/672513524.db2.gz	SDDCWDVMTBUQQN-UHFFFAOYSA-N	1	1	359.231	2.297	20	30		FEEDMO
C[N@@H+]1C[C@H]2[C@@H](CCN2CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000590010699	672554643	/nfs/dbraw/zinc/55/46/43/672554643.db2.gz	BYSIAHYLNUKLTM-BBRMVZONSA-N	1	1	358.511	2.463	20	30		FEEDMO
CN1C[C@H]2[C@@H](CC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000590010699	672554644	/nfs/dbraw/zinc/55/46/44/672554644.db2.gz	BYSIAHYLNUKLTM-BBRMVZONSA-N	1	1	358.511	2.463	20	30		FEEDMO
CN1C[C@H]2[C@@H](CC[N@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000590010699	672554645	/nfs/dbraw/zinc/55/46/45/672554645.db2.gz	BYSIAHYLNUKLTM-BBRMVZONSA-N	1	1	358.511	2.463	20	30		FEEDMO
C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(Oc2cncc(Cl)c2)CC1	ZINC000590601997	672595688	/nfs/dbraw/zinc/59/56/88/672595688.db2.gz	NPIDCGRHLJWGRJ-ZDUSSCGKSA-N	1	1	350.850	2.339	20	30		FEEDMO
C=CCOCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21	ZINC000681397377	672656354	/nfs/dbraw/zinc/65/63/54/672656354.db2.gz	NCVHROBWYUXCRW-CYBMUJFWSA-N	1	1	360.273	2.460	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@](O)(CC#N)C2)[C@@H]1c1cccs1	ZINC000591965247	672727382	/nfs/dbraw/zinc/72/73/82/672727382.db2.gz	HKOMVBRPCDTMJQ-QGPMSJSTSA-N	1	1	362.499	2.191	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1	ZINC000247279558	672848585	/nfs/dbraw/zinc/84/85/85/672848585.db2.gz	XFYXUJDRFWGCRT-HUUCEWRRSA-N	1	1	365.499	2.428	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CCC23CCCC3)CC1	ZINC000593039411	672867176	/nfs/dbraw/zinc/86/71/76/672867176.db2.gz	RYSMEFSYWCNRAY-MRXNPFEDSA-N	1	1	358.511	2.475	20	30		FEEDMO
CC[NH+]=C(NCc1cn[nH]c1C)N(C)Cc1cc(Br)cn1C	ZINC000261742269	672902337	/nfs/dbraw/zinc/90/23/37/672902337.db2.gz	KTPUVQDXMSMNIO-UHFFFAOYSA-N	1	1	367.295	2.417	20	30		FEEDMO
C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1CN(C2CC2)C[C@H]1C	ZINC000261996538	672907324	/nfs/dbraw/zinc/90/73/24/672907324.db2.gz	SPLHIPZVZJBSHC-ATLSCFEFSA-N	1	1	350.551	2.475	20	30		FEEDMO
C[C@@H](CNC(=O)Cc1ccc(Br)cc1C#N)[N@@H+](C)C1CC1	ZINC000593448630	672924605	/nfs/dbraw/zinc/92/46/05/672924605.db2.gz	SQEUEUFSIMBBCT-NSHDSACASA-N	1	1	350.260	2.462	20	30		FEEDMO
CC(C)c1nc(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)n[nH]1	ZINC000263147449	672929268	/nfs/dbraw/zinc/92/92/68/672929268.db2.gz	OYTUAPGZDXDTDQ-UHFFFAOYSA-N	1	1	361.881	2.218	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccsc2C#N)[C@H](C)C1	ZINC000593546327	672939031	/nfs/dbraw/zinc/93/90/31/672939031.db2.gz	JUFCTJCMUJICNP-ZIAGYGMSSA-N	1	1	371.528	2.035	20	30		FEEDMO
C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)[C@@H](C)C[N@H+]1C	ZINC000593572954	672947381	/nfs/dbraw/zinc/94/73/81/672947381.db2.gz	QZELZPHDPLQFNW-NEPJUHHUSA-N	1	1	350.260	2.414	20	30		FEEDMO
C=C[C@@](C)(O)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000612442289	676082539	/nfs/dbraw/zinc/08/25/39/676082539.db2.gz	UBYSODIMTWMLMS-QGZVFWFLSA-N	1	1	367.287	2.467	20	30		FEEDMO
CC[C@H](C#N)C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1	ZINC000593737387	672985264	/nfs/dbraw/zinc/98/52/64/672985264.db2.gz	KETQMPCLYCFEPN-LLVKDONJSA-N	1	1	366.263	2.084	20	30		FEEDMO
COc1ccc(CCNC(=[NH2+])NC[C@@H](CC(C)C)N(C)C)cc1OC	ZINC000303774827	673017306	/nfs/dbraw/zinc/01/73/06/673017306.db2.gz	GEQZEFZXAYODRS-MRXNPFEDSA-N	1	1	350.507	2.127	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(Cl)c1	ZINC000594327974	673059111	/nfs/dbraw/zinc/05/91/11/673059111.db2.gz	YHNDYGZQASKGTG-HOTGVXAUSA-N	1	1	360.845	2.283	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)[N@H+](C)C1	ZINC000328973511	673070565	/nfs/dbraw/zinc/07/05/65/673070565.db2.gz	PHVSNBFGVVSOFE-IVSAIRAKSA-N	1	1	365.861	2.287	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)[N@@H+](C)C1	ZINC000328973511	673070569	/nfs/dbraw/zinc/07/05/69/673070569.db2.gz	PHVSNBFGVVSOFE-IVSAIRAKSA-N	1	1	365.861	2.287	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCCN(c2cccc(F)c2F)CC1	ZINC000595507652	673259376	/nfs/dbraw/zinc/25/93/76/673259376.db2.gz	YLCGZMGTCWRTSC-CQSZACIVSA-N	1	1	350.413	2.237	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(c2cccc(F)c2F)CC1	ZINC000595507652	673259379	/nfs/dbraw/zinc/25/93/79/673259379.db2.gz	YLCGZMGTCWRTSC-CQSZACIVSA-N	1	1	350.413	2.237	20	30		FEEDMO
CO[C@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595660951	673279477	/nfs/dbraw/zinc/27/94/77/673279477.db2.gz	HAIMDWXRMAUSHN-SJKOYZFVSA-N	1	1	351.834	2.012	20	30		FEEDMO
CO[C@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000595660951	673279482	/nfs/dbraw/zinc/27/94/82/673279482.db2.gz	HAIMDWXRMAUSHN-SJKOYZFVSA-N	1	1	351.834	2.012	20	30		FEEDMO
C[NH+](C)[C@H](C(=O)NCCNc1ccc(C#N)cn1)c1cccc(Cl)c1	ZINC000732269554	673361224	/nfs/dbraw/zinc/36/12/24/673361224.db2.gz	XXRPYQRULIVDKD-KRWDZBQOSA-N	1	1	357.845	2.438	20	30		FEEDMO
C=CCCSCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000597303081	673465914	/nfs/dbraw/zinc/46/59/14/673465914.db2.gz	DMLBXKGNFDJYBA-JKSUJKDBSA-N	1	1	367.559	2.181	20	30		FEEDMO
C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCNC2=O)cc1OC	ZINC000539898616	673512132	/nfs/dbraw/zinc/51/21/32/673512132.db2.gz	YRJHGSJGBMFQAL-CYBMUJFWSA-N	1	1	369.259	2.343	20	30		FEEDMO
C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCNC2=O)cc1OC	ZINC000539898616	673512134	/nfs/dbraw/zinc/51/21/34/673512134.db2.gz	YRJHGSJGBMFQAL-CYBMUJFWSA-N	1	1	369.259	2.343	20	30		FEEDMO
COc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N	ZINC000542912610	673614784	/nfs/dbraw/zinc/61/47/84/673614784.db2.gz	NZHCTTORQLDOPM-INIZCTEOSA-N	1	1	359.813	2.482	20	30		FEEDMO
C#CCC[NH+]1CCC(NC(=O)c2ccccc2S(=O)(=O)C(C)C)CC1	ZINC000740737488	673651920	/nfs/dbraw/zinc/65/19/20/673651920.db2.gz	PBEWIKGYZVEBTN-UHFFFAOYSA-N	1	1	362.495	2.086	20	30		FEEDMO
CC[N@H+]1CCC(N=Nc2ncnc3c2c(Br)nn3C)[C@H](C)C1	ZINC000741464004	673687887	/nfs/dbraw/zinc/68/78/87/673687887.db2.gz	LVBIHDQFWHOMEJ-SECBINFHSA-N	1	1	366.267	2.255	20	30		FEEDMO
C[C@H]1CC(N=Nc2ncnc3c2c(Br)nn3C)CC[N@H+]1C	ZINC000741465222	673688019	/nfs/dbraw/zinc/68/80/19/673688019.db2.gz	YVOPEEAPHQIWNF-QMMMGPOBSA-N	1	1	352.240	2.008	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O	ZINC000599631994	673699763	/nfs/dbraw/zinc/69/97/63/673699763.db2.gz	NZXOEXNBMHWLEN-RDQAEZFGSA-N	1	1	359.495	2.307	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O	ZINC000599631994	673699767	/nfs/dbraw/zinc/69/97/67/673699767.db2.gz	NZXOEXNBMHWLEN-RDQAEZFGSA-N	1	1	359.495	2.307	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c(Cl)c1	ZINC000600065245	673738233	/nfs/dbraw/zinc/73/82/33/673738233.db2.gz	YARNAUWYUIDTIW-CQSZACIVSA-N	1	1	360.845	2.283	20	30		FEEDMO
C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@]1(O)CC[N@H+](C)C1	ZINC000545156253	673747313	/nfs/dbraw/zinc/74/73/13/673747313.db2.gz	QGDVTCJLAKSSKW-MRXNPFEDSA-N	1	1	358.360	2.067	20	30		FEEDMO
CC(C)[C@H](C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)[NH+]1CCCCC1	ZINC000745084151	673824616	/nfs/dbraw/zinc/82/46/16/673824616.db2.gz	RFBMYWGYECOQTJ-FRQCXROJSA-N	1	1	351.491	2.483	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@@H]1C	ZINC000601355527	673847070	/nfs/dbraw/zinc/84/70/70/673847070.db2.gz	TXCIVFPXWPNVAT-BBRMVZONSA-N	1	1	353.463	2.499	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNS(=O)(=O)CC1(CC#N)CC1	ZINC000601481363	673869410	/nfs/dbraw/zinc/86/94/10/673869410.db2.gz	DZHQCVAKAJDXGQ-WMZOPIPTSA-N	1	1	361.511	2.368	20	30		FEEDMO
N#Cc1ccc(NC(=O)Cn2cc(C[NH+]3CCCCC3)nn2)cc1Cl	ZINC000603172047	673918705	/nfs/dbraw/zinc/91/87/05/673918705.db2.gz	RLUOEYJGUBBXCU-UHFFFAOYSA-N	1	1	358.833	2.428	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C	ZINC000818609063	675228542	/nfs/dbraw/zinc/22/85/42/675228542.db2.gz	IZKVYPKGOJYEDF-UHFFFAOYSA-N	1	1	363.824	2.053	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1	ZINC000818615550	675228870	/nfs/dbraw/zinc/22/88/70/675228870.db2.gz	PUSXNPXTGCEJIL-MRXNPFEDSA-N	1	1	361.511	2.127	20	30		FEEDMO
CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](C)C1	ZINC000819313670	675280507	/nfs/dbraw/zinc/28/05/07/675280507.db2.gz	JKNLTSCNTCPMME-LSDHHAIUSA-N	1	1	352.479	2.126	20	30		FEEDMO
C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C[N@H+](CC)CCC)c1	ZINC000568568759	675383218	/nfs/dbraw/zinc/38/32/18/675383218.db2.gz	KAMFYXYOFDYTJM-OAHLLOKOSA-N	1	1	367.515	2.001	20	30		FEEDMO
C#CCOc1ccccc1C[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1	ZINC000824737882	675619203	/nfs/dbraw/zinc/61/92/03/675619203.db2.gz	GECSZTDBNBIYPU-UHFFFAOYSA-N	1	1	358.463	2.239	20	30		FEEDMO
C#CC1CCN(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1	ZINC000825574019	675659415	/nfs/dbraw/zinc/65/94/15/675659415.db2.gz	LDLWYVISHGADES-KRWDZBQOSA-N	1	1	360.527	2.091	20	30		FEEDMO
C=CCn1cc(CNC(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)nn1	ZINC000659325670	678166462	/nfs/dbraw/zinc/16/64/62/678166462.db2.gz	QTHBNVZXDZUORI-AWEZNQCLSA-N	1	1	354.241	2.348	20	30		FEEDMO
COC1(CO)CC[NH+]([C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000618550694	676344002	/nfs/dbraw/zinc/34/40/02/676344002.db2.gz	ASCJFCRDCMEZEY-GFCCVEGCSA-N	1	1	351.834	2.012	20	30		FEEDMO
N#CCc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000619492385	676381072	/nfs/dbraw/zinc/38/10/72/676381072.db2.gz	MQTCMELUYWUDKS-QFBILLFUSA-N	1	1	359.495	2.390	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@@H]1c1ccccc1	ZINC000619493740	676381169	/nfs/dbraw/zinc/38/11/69/676381169.db2.gz	NBXYRNACZKKURN-OALUTQOASA-N	1	1	355.463	2.476	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@@H]1c1ccccc1	ZINC000619493740	676381171	/nfs/dbraw/zinc/38/11/71/676381171.db2.gz	NBXYRNACZKKURN-OALUTQOASA-N	1	1	355.463	2.476	20	30		FEEDMO
C=C[C@@](C)(O)CC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)sc2c1	ZINC000830253258	677032224	/nfs/dbraw/zinc/03/22/24/677032224.db2.gz	RYBKAEBYFAVBMU-GOSISDBHSA-N	1	1	360.483	2.314	20	30		FEEDMO
C=CCn1cc(C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)nn1	ZINC000644675325	677247744	/nfs/dbraw/zinc/24/77/44/677247744.db2.gz	HWRNNKLOUSLOIX-LBPRGKRZSA-N	1	1	357.241	2.300	20	30		FEEDMO
C=CC[NH+](CC=C)[C@H](CNC(=O)c1coc(S(C)(=O)=O)c1)C(C)C	ZINC000651332621	677420232	/nfs/dbraw/zinc/42/02/32/677420232.db2.gz	CBQJJSYWGCFAIM-OAHLLOKOSA-N	1	1	354.472	2.112	20	30		FEEDMO
COc1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c(Br)c1O	ZINC000761013206	680707515	/nfs/dbraw/zinc/70/75/15/680707515.db2.gz	QFZUROUQUHNRMB-GHMZBOCLSA-N	1	1	367.247	2.357	20	30		FEEDMO
C=CCCn1cc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)nn1	ZINC000657477259	678003245	/nfs/dbraw/zinc/00/32/45/678003245.db2.gz	YRZCCVGIWVJYJO-UHFFFAOYSA-N	1	1	368.890	2.461	20	30		FEEDMO
C=CC[N@@H+](Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H](C)COC	ZINC000661241831	678457074	/nfs/dbraw/zinc/45/70/74/678457074.db2.gz	BZGHASGLQLSRRN-LBPRGKRZSA-N	1	1	366.259	2.480	20	30		FEEDMO
C=CCN(C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H](C)COC	ZINC000663435208	678740177	/nfs/dbraw/zinc/74/01/77/678740177.db2.gz	KEAKWNKKPNYRTF-QGZVFWFLSA-N	1	1	353.507	2.254	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)s1	ZINC000676336185	679628329	/nfs/dbraw/zinc/62/83/29/679628329.db2.gz	OEHYFIZMZTVCEG-AWEZNQCLSA-N	1	1	350.488	2.068	20	30		FEEDMO
C=CCNc1ncc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)s1	ZINC000676336185	679628331	/nfs/dbraw/zinc/62/83/31/679628331.db2.gz	OEHYFIZMZTVCEG-AWEZNQCLSA-N	1	1	350.488	2.068	20	30		FEEDMO
O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001015731926	680051148	/nfs/dbraw/zinc/05/11/48/680051148.db2.gz	SLUMHJLDSYEMEN-MKXGPGLRSA-N	1	1	358.869	2.450	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@H]2CC[C@@H]1O2	ZINC001015731926	680051151	/nfs/dbraw/zinc/05/11/51/680051151.db2.gz	SLUMHJLDSYEMEN-MKXGPGLRSA-N	1	1	358.869	2.450	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1	ZINC001019070243	680088221	/nfs/dbraw/zinc/08/82/21/680088221.db2.gz	FXHZDVOPLOUMSN-UKRRQHHQSA-N	1	1	367.921	2.166	20	30		FEEDMO
C=C(Br)CN1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC001023378944	680258234	/nfs/dbraw/zinc/25/82/34/680258234.db2.gz	FZRHVTYNFGDLNR-RBSFLKMASA-N	1	1	358.324	2.063	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@@H](C)COC)C[C@]2(C)C1	ZINC000982642709	680283605	/nfs/dbraw/zinc/28/36/05/680283605.db2.gz	UGGYJBSUPIXXAT-VDWQKOAOSA-N	1	1	350.503	2.173	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nnc(C)s2)C(C)(C)C1	ZINC000995810499	680303517	/nfs/dbraw/zinc/30/35/17/680303517.db2.gz	CVEQZFXHVMONJX-QLFBSQMISA-N	1	1	364.515	2.154	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCC(F)(F)C3)C[C@H]21	ZINC001026101821	680342578	/nfs/dbraw/zinc/34/25/78/680342578.db2.gz	JZWQLRTUIQFSBI-ROIMOXLHSA-N	1	1	354.441	2.449	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CCC([NH2+]Cc2csnn2)CC1	ZINC001026575158	680347739	/nfs/dbraw/zinc/34/77/39/680347739.db2.gz	CECKQLUBOWDYTI-BGHVQYPCSA-N	1	1	350.488	2.036	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1	ZINC001028810086	680383409	/nfs/dbraw/zinc/38/34/09/680383409.db2.gz	WLZLXACWQQVOGH-IYOUNJFTSA-N	1	1	350.409	2.494	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1	ZINC001028810086	680383414	/nfs/dbraw/zinc/38/34/14/680383414.db2.gz	WLZLXACWQQVOGH-IYOUNJFTSA-N	1	1	350.409	2.494	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1C#N	ZINC000754991391	680392674	/nfs/dbraw/zinc/39/26/74/680392674.db2.gz	PUXCOUWMIBYVLV-CQSZACIVSA-N	1	1	350.488	2.272	20	30		FEEDMO
C[C@H](CNc1cccc(S(N)(=O)=O)c1C#N)[N@@H+](C)Cc1ccccc1	ZINC000755006785	680393811	/nfs/dbraw/zinc/39/38/11/680393811.db2.gz	XMKDDSLWEWOBHU-CQSZACIVSA-N	1	1	358.467	2.138	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCOCC2)C1	ZINC001029865220	680394280	/nfs/dbraw/zinc/39/42/80/680394280.db2.gz	ZPQZPAZQSQQPPK-QYZOEREBSA-N	1	1	350.503	2.175	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)C[C@H]2CCOC2)CC1	ZINC001030003020	680396182	/nfs/dbraw/zinc/39/61/82/680396182.db2.gz	VMZKVXNNDZIPOQ-QYZOEREBSA-N	1	1	350.503	2.175	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(CCC)s2)C1	ZINC000999427775	680403156	/nfs/dbraw/zinc/40/31/56/680403156.db2.gz	LOGIOFBATIUWCP-CVSAEHQPSA-N	1	1	364.515	2.161	20	30		FEEDMO
CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1	ZINC001033094241	680417307	/nfs/dbraw/zinc/41/73/07/680417307.db2.gz	UUYNJYTUMYKCFX-QRFRQXIXSA-N	1	1	358.869	2.261	20	30		FEEDMO
CN(C(=O)[C@]12C[C@H]1COC2)[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1	ZINC001033094241	680417311	/nfs/dbraw/zinc/41/73/11/680417311.db2.gz	UUYNJYTUMYKCFX-QRFRQXIXSA-N	1	1	358.869	2.261	20	30		FEEDMO
C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)C1	ZINC001034272113	680432535	/nfs/dbraw/zinc/43/25/35/680432535.db2.gz	RRJKTENNZKEMDI-KFWWJZLASA-N	1	1	364.408	2.270	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnc(C)s1	ZINC001035072074	680443117	/nfs/dbraw/zinc/44/31/17/680443117.db2.gz	MGZBDMHKAGFUDA-VYDXJSESSA-N	1	1	364.515	2.298	20	30		FEEDMO
C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1	ZINC001035606178	680450782	/nfs/dbraw/zinc/45/07/82/680450782.db2.gz	BAKUJIOLSIBLTF-VNQPRFMTSA-N	1	1	350.409	2.461	20	30		FEEDMO
C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)C1	ZINC001035606178	680450786	/nfs/dbraw/zinc/45/07/86/680450786.db2.gz	BAKUJIOLSIBLTF-VNQPRFMTSA-N	1	1	350.409	2.461	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN2CC#Cc2ccccc2Cl)CC[N@H+]1C	ZINC001038263855	680454214	/nfs/dbraw/zinc/45/42/14/680454214.db2.gz	ALBJFBMTZGHCKK-BPQIPLTHSA-N	1	1	359.901	2.222	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)COc1cccc(Br)c1	ZINC000756540794	680483913	/nfs/dbraw/zinc/48/39/13/680483913.db2.gz	CYMRMAVRXCUNNU-CQSZACIVSA-N	1	1	352.228	2.469	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1	ZINC001041701808	680509433	/nfs/dbraw/zinc/50/94/33/680509433.db2.gz	QSELDLQZMXOVIA-IIAWOOMASA-N	1	1	357.292	2.387	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1	ZINC001041701808	680509435	/nfs/dbraw/zinc/50/94/35/680509435.db2.gz	QSELDLQZMXOVIA-IIAWOOMASA-N	1	1	357.292	2.387	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1Nc1nc(Cl)c(C#N)s1	ZINC001043095763	680560591	/nfs/dbraw/zinc/56/05/91/680560591.db2.gz	RCIQSSKKUYCWRL-GMTAPVOTSA-N	1	1	353.879	2.021	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1Nc1nc(Cl)c(C#N)s1	ZINC001043252448	680569577	/nfs/dbraw/zinc/56/95/77/680569577.db2.gz	RWLSYHFSZPWASB-GRYCIOLGSA-N	1	1	367.906	2.269	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC001005583351	680581135	/nfs/dbraw/zinc/58/11/35/680581135.db2.gz	IWOXOECLUIDBSD-OLZOCXBDSA-N	1	1	370.799	2.008	20	30		FEEDMO
C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1Nc1ncc(C#N)cc1Cl	ZINC001043511157	680585082	/nfs/dbraw/zinc/58/50/82/680585082.db2.gz	GIEXHWRZCRDUDL-DVOMOZLQSA-N	1	1	361.877	2.350	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1Nc1ncc(C#N)cc1Cl	ZINC001043608539	680591065	/nfs/dbraw/zinc/59/10/65/680591065.db2.gz	JSEGCMAXLTVFIO-DAXOMENPSA-N	1	1	361.877	2.350	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1ncc(Cl)s1	ZINC001045209833	680624828	/nfs/dbraw/zinc/62/48/28/680624828.db2.gz	OIACNCLECKPGKA-XQQFMLRXSA-N	1	1	355.891	2.468	20	30		FEEDMO
C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)C1	ZINC001046030670	680643170	/nfs/dbraw/zinc/64/31/70/680643170.db2.gz	XOLVMJJZICDLIJ-KZNAEPCWSA-N	1	1	357.523	2.012	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)C1	ZINC001046066766	680643485	/nfs/dbraw/zinc/64/34/85/680643485.db2.gz	IIDARURKWVQSMN-GVDBMIGSSA-N	1	1	363.889	2.354	20	30		FEEDMO
C=C(Cl)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)C1	ZINC001046066766	680643486	/nfs/dbraw/zinc/64/34/86/680643486.db2.gz	IIDARURKWVQSMN-GVDBMIGSSA-N	1	1	363.889	2.354	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCn2cc(Cl)cn2)C1	ZINC001046328396	680646075	/nfs/dbraw/zinc/64/60/75/680646075.db2.gz	ZXIRPIHFRVEKEJ-SOLBZPMBSA-N	1	1	366.893	2.098	20	30		FEEDMO
C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1	ZINC001046956575	680654546	/nfs/dbraw/zinc/65/45/46/680654546.db2.gz	ZJBMPKRUYZCKSF-YESZJQIVSA-N	1	1	354.441	2.146	20	30		FEEDMO
C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1	ZINC001046973996	680654919	/nfs/dbraw/zinc/65/49/19/680654919.db2.gz	BLICPHBNYYYKFV-RRFJBIMHSA-N	1	1	352.429	2.173	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1	ZINC001008206973	680664795	/nfs/dbraw/zinc/66/47/95/680664795.db2.gz	GHYRWSPDEWWFJU-YUELXQCFSA-N	1	1	369.937	2.459	20	30		FEEDMO
C[C@H](CO)N(C)[NH+]=Cc1sc(N2CCOCC2)nc1-c1ccccc1	ZINC000842544351	680952388	/nfs/dbraw/zinc/95/23/88/680952388.db2.gz	HFFAXXGSJYYYAH-CQSZACIVSA-N	1	1	360.483	2.293	20	30		FEEDMO
C=CCn1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)nn1	ZINC000843539290	681008610	/nfs/dbraw/zinc/00/86/10/681008610.db2.gz	DTKRKIPYDXONBX-UHFFFAOYSA-N	1	1	360.849	2.122	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	ZINC000843897107	681024364	/nfs/dbraw/zinc/02/43/64/681024364.db2.gz	QISFDCLFBSVRKH-MRXNPFEDSA-N	1	1	351.491	2.095	20	30		FEEDMO
C=C(Br)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC001049481245	681032559	/nfs/dbraw/zinc/03/25/59/681032559.db2.gz	HVZDNAOJMITBMJ-LVQVYYBASA-N	1	1	370.335	2.301	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1c1ncc(C#N)cc1Cl	ZINC001050454725	681048446	/nfs/dbraw/zinc/04/84/46/681048446.db2.gz	OPZPIBUVMBHYBR-WWGRRREGSA-N	1	1	361.877	2.032	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCN(c3ncc(C#N)cc3Cl)[C@@H]2C)C1	ZINC001051014741	681059883	/nfs/dbraw/zinc/05/98/83/681059883.db2.gz	CNCBXNAEWHDUNS-IOASZLSFSA-N	1	1	361.877	2.032	20	30		FEEDMO
C=C(Br)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC001052572710	681081311	/nfs/dbraw/zinc/08/13/11/681081311.db2.gz	QJEBCLDTKLKDMH-AYCBFJCHSA-N	1	1	369.303	2.289	20	30		FEEDMO
C=C(Br)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1	ZINC001052572710	681081315	/nfs/dbraw/zinc/08/13/15/681081315.db2.gz	QJEBCLDTKLKDMH-AYCBFJCHSA-N	1	1	369.303	2.289	20	30		FEEDMO
Cc1c[nH+]cn1CC(=O)N1C[C@@H](CNc2snc(C)c2C#N)[C@H](C)C1	ZINC001054491979	681111546	/nfs/dbraw/zinc/11/15/46/681111546.db2.gz	FLHWUWBQNRFNRC-BXUZGUMPSA-N	1	1	358.471	2.035	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC(Nc3nc(Cl)c(C#N)s3)CC2)CC[N@H+]1C	ZINC001057443608	681160904	/nfs/dbraw/zinc/16/09/04/681160904.db2.gz	ZPUJYEYBPZBNEK-ZYHUDNBSSA-N	1	1	367.906	2.411	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(c3ncc(C#N)cc3Cl)C2)CC[N@H+]1C	ZINC001058573467	681172727	/nfs/dbraw/zinc/17/27/27/681172727.db2.gz	MTMKPWNJPZVASJ-OFQRWUPVSA-N	1	1	361.877	2.032	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001059859195	681187362	/nfs/dbraw/zinc/18/73/62/681187362.db2.gz	SIXRWISKACCJPH-SRRSOLGSSA-N	1	1	367.906	2.458	20	30		FEEDMO
C#CCNC(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C(F)(F)F)cn2)CC1	ZINC000932230215	681201292	/nfs/dbraw/zinc/20/12/92/681201292.db2.gz	JWCVJNRVJZEAOL-GFCCVEGCSA-N	1	1	355.360	2.082	20	30		FEEDMO
C#CCCCNC(=O)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1	ZINC000775079960	681273556	/nfs/dbraw/zinc/27/35/56/681273556.db2.gz	JEJJFNARNZNRNA-QGZVFWFLSA-N	1	1	361.873	2.123	20	30		FEEDMO
COC(=O)C1(C#N)CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1	ZINC000847077975	681329579	/nfs/dbraw/zinc/32/95/79/681329579.db2.gz	SLGOHQJQSOJOBC-HNNXBMFYSA-N	1	1	363.845	2.248	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1)[C@@H]1CCCO1	ZINC000775789232	681335269	/nfs/dbraw/zinc/33/52/69/681335269.db2.gz	LJPRZMFVWVHFAG-KCXAZCMYSA-N	1	1	365.271	2.397	20	30		FEEDMO
C#C[C@@H]([NH2+]Cc1cc2c(cc1Br)OCCO2)[C@@H]1CCCO1	ZINC000775805906	681337014	/nfs/dbraw/zinc/33/70/14/681337014.db2.gz	HXOPZJACUDWHDG-KGLIPLIRSA-N	1	1	352.228	2.491	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933712626	681455804	/nfs/dbraw/zinc/45/58/04/681455804.db2.gz	UABWWZLKNOWBHF-NEPJUHHUSA-N	1	1	355.364	2.045	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933712626	681455808	/nfs/dbraw/zinc/45/58/08/681455808.db2.gz	UABWWZLKNOWBHF-NEPJUHHUSA-N	1	1	355.364	2.045	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933715967	681456509	/nfs/dbraw/zinc/45/65/09/681456509.db2.gz	NGITXOHQMLJIJM-LBPRGKRZSA-N	1	1	355.364	2.047	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1	ZINC000933715967	681456512	/nfs/dbraw/zinc/45/65/12/681456512.db2.gz	NGITXOHQMLJIJM-LBPRGKRZSA-N	1	1	355.364	2.047	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(CC(=O)N(CCC#N)c3cccc(Cl)c3)C[C@]2(C)C1	ZINC000933743477	681461337	/nfs/dbraw/zinc/46/13/37/681461337.db2.gz	AJMWBRLFBIGQFR-BEFAXECRSA-N	1	1	360.889	2.470	20	30		FEEDMO
CC(C[NH+]1CCCCCC1)=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000777419440	681492153	/nfs/dbraw/zinc/49/21/53/681492153.db2.gz	ZVFPPPXVYHBMEC-UHFFFAOYSA-N	1	1	368.459	2.433	20	30		FEEDMO
CO[C@H]1CC[C@@H]1[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000934117084	681511199	/nfs/dbraw/zinc/51/11/99/681511199.db2.gz	JXKMVNNNGSCCDC-HOTGVXAUSA-N	1	1	354.372	2.282	20	30		FEEDMO
C=CCCC[N@H+](CC)[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1	ZINC000934648418	681605862	/nfs/dbraw/zinc/60/58/62/681605862.db2.gz	OMFVBBZGOONKRZ-HUUCEWRRSA-N	1	1	367.515	2.188	20	30		FEEDMO
FC(F)(F)CC[NH+]1CCC(=NNC(=S)NC[C@@H]2CCCO2)CC1	ZINC000779759819	681750761	/nfs/dbraw/zinc/75/07/61/681750761.db2.gz	NZKSDUWTAIHIFP-LBPRGKRZSA-N	1	1	352.426	2.034	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@H](O)C2CCCCC2)C1	ZINC000951785647	681756763	/nfs/dbraw/zinc/75/67/63/681756763.db2.gz	YCSYIYKDDBBACC-QYZOEREBSA-N	1	1	350.503	2.051	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	ZINC000956032275	681845473	/nfs/dbraw/zinc/84/54/73/681845473.db2.gz	NZNXDDQMXJLZLC-VHDGCEQUSA-N	1	1	355.910	2.213	20	30		FEEDMO
Cc1[nH+]cc(CNc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1C	ZINC000850303547	681882571	/nfs/dbraw/zinc/88/25/71/681882571.db2.gz	WMLNSZCQYTVOAS-JZJYNLBNSA-N	1	1	361.471	2.153	20	30		FEEDMO
CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21	ZINC000959926620	682010525	/nfs/dbraw/zinc/01/05/25/682010525.db2.gz	UDRXHODGVOBHIE-AVEIZBFRSA-N	1	1	359.495	2.227	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)sc3C)C[C@H]21	ZINC000962024426	682107356	/nfs/dbraw/zinc/10/73/56/682107356.db2.gz	PEMOJBYWGBDREK-DTJSUFBGSA-N	1	1	361.511	2.288	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)sc3C)C[C@H]21	ZINC000962024426	682107362	/nfs/dbraw/zinc/10/73/62/682107362.db2.gz	PEMOJBYWGBDREK-DTJSUFBGSA-N	1	1	361.511	2.288	20	30		FEEDMO
C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(N2CCCS2(=O)=O)c1	ZINC000783299503	682133246	/nfs/dbraw/zinc/13/32/46/682133246.db2.gz	CUANPZHJLCDKJN-AWEZNQCLSA-N	1	1	356.451	2.344	20	30		FEEDMO
C#CCOCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000851825435	682149886	/nfs/dbraw/zinc/14/98/86/682149886.db2.gz	HXJXFEHXOZXZCA-ZDUSSCGKSA-N	1	1	366.259	2.144	20	30		FEEDMO
N#C[C@@H]1CC[C@H]([NH+]2CCC(n3nncc3I)CC2)C1	ZINC000852532663	682296862	/nfs/dbraw/zinc/29/68/62/682296862.db2.gz	NXYDQJZLLPSSFO-PWSUYJOCSA-N	1	1	371.226	2.212	20	30		FEEDMO
C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC000971707447	682367273	/nfs/dbraw/zinc/36/72/73/682367273.db2.gz	UYOVLEBDEOCTIB-BBWFWOEESA-N	1	1	366.893	2.173	20	30		FEEDMO
C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2cnn(C)c2)C1	ZINC000971707447	682367278	/nfs/dbraw/zinc/36/72/78/682367278.db2.gz	UYOVLEBDEOCTIB-BBWFWOEESA-N	1	1	366.893	2.173	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1	ZINC000971973586	682384335	/nfs/dbraw/zinc/38/43/35/682384335.db2.gz	CAUQKUHXNDDHIO-LTUQZUHASA-N	1	1	357.479	2.076	20	30		FEEDMO
C[NH+]1CCN(N=Cc2cc(Br)c(Br)[nH]2)CC1	ZINC000853256435	682399425	/nfs/dbraw/zinc/39/94/25/682399425.db2.gz	QJMAXSLZVMFSOY-UHFFFAOYSA-N	1	1	350.058	2.121	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl	ZINC000856781551	682810216	/nfs/dbraw/zinc/81/02/16/682810216.db2.gz	TZOGGZSLTCWEBL-MRVPVSSYSA-N	1	1	364.755	2.416	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H]2COCC[C@@]2(C(=O)OC)C1	ZINC000793344318	682883743	/nfs/dbraw/zinc/88/37/43/682883743.db2.gz	QSSJHGXXIAMUBA-IFXJQAMLSA-N	1	1	363.841	2.364	20	30		FEEDMO
CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C2	ZINC000926168440	683086910	/nfs/dbraw/zinc/08/69/10/683086910.db2.gz	YGHLAWHXBCAQEN-MTNOOBJLSA-N	1	1	361.873	2.421	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000860095767	683201162	/nfs/dbraw/zinc/20/11/62/683201162.db2.gz	FJBWYILLBWSPDW-QWQRMKEZSA-N	1	1	354.495	2.274	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000860095767	683201165	/nfs/dbraw/zinc/20/11/65/683201165.db2.gz	FJBWYILLBWSPDW-QWQRMKEZSA-N	1	1	354.495	2.274	20	30		FEEDMO
COc1ccc(C(C)=NNCCC[NH+]2CCOCC2)c(Br)c1	ZINC000799489872	683460364	/nfs/dbraw/zinc/46/03/64/683460364.db2.gz	GJBSNVQCOJVOJY-UHFFFAOYSA-N	1	1	370.291	2.494	20	30		FEEDMO
C#CC[NH+]1CCC(NS(=O)(=O)c2ccc3ccnc(Cl)c3c2)CC1	ZINC000921436978	683467541	/nfs/dbraw/zinc/46/75/41/683467541.db2.gz	JFJRFWCTACVMAF-UHFFFAOYSA-N	1	1	363.870	2.264	20	30		FEEDMO
C=CC[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000862543781	683600001	/nfs/dbraw/zinc/60/00/01/683600001.db2.gz	LBPPNQKHRZOBET-INIZCTEOSA-N	1	1	351.491	2.354	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1)S(C)(=O)=O	ZINC000930440551	683733039	/nfs/dbraw/zinc/73/30/39/683733039.db2.gz	FLYUXOQTFYCARB-CYBMUJFWSA-N	1	1	355.891	2.315	20	30		FEEDMO
CN(C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1)S(C)(=O)=O	ZINC000930440551	683733046	/nfs/dbraw/zinc/73/30/46/683733046.db2.gz	FLYUXOQTFYCARB-CYBMUJFWSA-N	1	1	355.891	2.315	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1	ZINC000930454475	683736336	/nfs/dbraw/zinc/73/63/36/683736336.db2.gz	XPCHMGVUQJNTGM-HOCLYGCPSA-N	1	1	354.372	2.489	20	30		FEEDMO
C[N@H+]1CC[C@H](Cn2nnnc2Sc2cc(C(F)(F)F)cc(C#N)n2)C1	ZINC000865620597	684006182	/nfs/dbraw/zinc/00/61/82/684006182.db2.gz	NPYMLAPFARSXBL-VIFPVBQESA-N	1	1	369.376	2.061	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2ccsc2NC(=O)c2ccco2)C1	ZINC000923578084	684307926	/nfs/dbraw/zinc/30/79/26/684307926.db2.gz	CHGPJBCJXPBCRF-ZDUSSCGKSA-N	1	1	357.435	2.421	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccsc2NC(=O)c2ccco2)C1	ZINC000923578084	684307932	/nfs/dbraw/zinc/30/79/32/684307932.db2.gz	CHGPJBCJXPBCRF-ZDUSSCGKSA-N	1	1	357.435	2.421	20	30		FEEDMO
COc1cc(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c(F)cc1C#N	ZINC000931983720	684382205	/nfs/dbraw/zinc/38/22/05/684382205.db2.gz	JVAADDOYRIUVDU-UKRRQHHQSA-N	1	1	364.446	2.407	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC[C@@H]21	ZINC000867812239	684396917	/nfs/dbraw/zinc/39/69/17/684396917.db2.gz	ISFLBMHBUUHVLN-OCCSQVGLSA-N	1	1	373.400	2.292	20	30		FEEDMO
C=CCc1cc(OC)cc(C[N@@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1O	ZINC000872806853	685018204	/nfs/dbraw/zinc/01/82/04/685018204.db2.gz	GQTKKRNSUQXEHE-KDURUIRLSA-N	1	1	365.495	2.386	20	30		FEEDMO
C=CCc1cc(OC)cc(C[N@H+]2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1O	ZINC000872806853	685018206	/nfs/dbraw/zinc/01/82/06/685018206.db2.gz	GQTKKRNSUQXEHE-KDURUIRLSA-N	1	1	365.495	2.386	20	30		FEEDMO
C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1OC)N1CCCC1	ZINC000876711291	686250460	/nfs/dbraw/zinc/25/04/60/686250460.db2.gz	WABNLDLVSGBMID-HZPDHXFCSA-N	1	1	351.878	2.418	20	30		FEEDMO
C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000876719813	686252616	/nfs/dbraw/zinc/25/26/16/686252616.db2.gz	WEMOIUDNWXEEGZ-RKVPGOIHSA-N	1	1	365.905	2.382	20	30		FEEDMO
C[N@@H+](CCc1cccc(C#N)c1)CC(=O)NC(=O)NCc1cccs1	ZINC000879434070	686820390	/nfs/dbraw/zinc/82/03/90/686820390.db2.gz	DBIUBLRUZXCKQG-UHFFFAOYSA-N	1	1	356.451	2.120	20	30		FEEDMO
CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)cc1	ZINC000879432753	686820597	/nfs/dbraw/zinc/82/05/97/686820597.db2.gz	FYZJNFBYXCUYDY-UHFFFAOYSA-N	1	1	357.479	2.483	20	30		FEEDMO
CONC(=O)C1CC[NH+](Cc2cc(C#N)ccc2Br)CC1	ZINC000879924196	686947513	/nfs/dbraw/zinc/94/75/13/686947513.db2.gz	NLIFIQSOURMUNK-UHFFFAOYSA-N	1	1	352.232	2.210	20	30		FEEDMO
COCC#CC[N@H+]1C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000880024246	686976938	/nfs/dbraw/zinc/97/69/38/686976938.db2.gz	HIMCKGMYSSKEGF-STQMWFEESA-N	1	1	350.381	2.271	20	30		FEEDMO
COCC#CC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000880024246	686976941	/nfs/dbraw/zinc/97/69/41/686976941.db2.gz	HIMCKGMYSSKEGF-STQMWFEESA-N	1	1	350.381	2.271	20	30		FEEDMO
CCOC(=O)[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]1C(F)(F)F	ZINC000880156391	687007737	/nfs/dbraw/zinc/00/77/37/687007737.db2.gz	FVQQYDNEDPHNJK-KFWWJZLASA-N	1	1	356.344	2.265	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1Cl	ZINC000880583062	687062569	/nfs/dbraw/zinc/06/25/69/687062569.db2.gz	DIOCKMHHWLNERY-HNNXBMFYSA-N	1	1	363.845	2.014	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1Cl	ZINC000880583062	687062571	/nfs/dbraw/zinc/06/25/71/687062571.db2.gz	DIOCKMHHWLNERY-HNNXBMFYSA-N	1	1	363.845	2.014	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2cc(C#N)c(F)cc2F)C1	ZINC000880717030	687078195	/nfs/dbraw/zinc/07/81/95/687078195.db2.gz	YJTDDQLESHUCMB-ZDUSSCGKSA-N	1	1	352.385	2.315	20	30		FEEDMO
C=CCCc1ccc(S(=O)(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000882417792	687364178	/nfs/dbraw/zinc/36/41/78/687364178.db2.gz	BYDQMAKTIHLVTP-SFHVURJKSA-N	1	1	364.511	2.025	20	30		FEEDMO
C=CCC1(O)CC[NH+](CC(=O)NCCc2nc3ccccc3s2)CC1	ZINC000886768970	688305325	/nfs/dbraw/zinc/30/53/25/688305325.db2.gz	MJUWAMZHYBMJLR-UHFFFAOYSA-N	1	1	359.495	2.358	20	30		FEEDMO
C[C@H](O)C[NH+]1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1	ZINC000888218655	688564820	/nfs/dbraw/zinc/56/48/20/688564820.db2.gz	FHWRKYSZQYPLPQ-LBPRGKRZSA-N	1	1	350.488	2.448	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1	ZINC000893700236	689388417	/nfs/dbraw/zinc/38/84/17/689388417.db2.gz	VSBKJLDEFQLVCS-IRXDYDNUSA-N	1	1	362.499	2.405	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1	ZINC000893700234	689388685	/nfs/dbraw/zinc/38/86/85/689388685.db2.gz	VSBKJLDEFQLVCS-DLBZAZTESA-N	1	1	362.499	2.405	20	30		FEEDMO
CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2cccc(F)c2C#N)cc1	ZINC000896278179	689848423	/nfs/dbraw/zinc/84/84/23/689848423.db2.gz	ZYTLLZNZYSBELD-UHFFFAOYSA-N	1	1	361.442	2.379	20	30		FEEDMO
C[N@@H+]1CCN(C(=O)NCc2nc(C#N)cs2)[C@@H](Cc2ccccc2)C1	ZINC000897271719	689997793	/nfs/dbraw/zinc/99/77/93/689997793.db2.gz	RHAGORCUXXWXAA-INIZCTEOSA-N	1	1	355.467	2.083	20	30		FEEDMO
C[N@H+]1CCN(C(=O)NCc2nc(C#N)cs2)[C@@H](Cc2ccccc2)C1	ZINC000897271719	689997796	/nfs/dbraw/zinc/99/77/96/689997796.db2.gz	RHAGORCUXXWXAA-INIZCTEOSA-N	1	1	355.467	2.083	20	30		FEEDMO
CC(C)(C)OC(=O)N1[C@H](C[NH2+]Cc2nc(C#N)cs2)COC1(C)C	ZINC000897629220	690052817	/nfs/dbraw/zinc/05/28/17/690052817.db2.gz	HTYXLSVWFAXDBE-GFCCVEGCSA-N	1	1	352.460	2.476	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=S)N1CCO[C@H](c2ccc(C#N)cc2)C1	ZINC000899634919	690394311	/nfs/dbraw/zinc/39/43/11/690394311.db2.gz	CHYUERGXCCLEOO-MSOLQXFVSA-N	1	1	358.511	2.290	20	30		FEEDMO
CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1	ZINC000900609127	690538375	/nfs/dbraw/zinc/53/83/75/690538375.db2.gz	VPFCRSHGDDLOBZ-GDBMZVCRSA-N	1	1	363.845	2.296	20	30		FEEDMO
CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)C1	ZINC000900609127	690538380	/nfs/dbraw/zinc/53/83/80/690538380.db2.gz	VPFCRSHGDDLOBZ-GDBMZVCRSA-N	1	1	363.845	2.296	20	30		FEEDMO
C=CCSc1nc2ccccc2n1C[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	ZINC000902615826	690787057	/nfs/dbraw/zinc/78/70/57/690787057.db2.gz	VKPNCMZNJSKTLY-OKILXGFUSA-N	1	1	363.508	2.248	20	30		FEEDMO
C=CCSc1nc2ccccc2n1C[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1	ZINC000902615826	690787060	/nfs/dbraw/zinc/78/70/60/690787060.db2.gz	VKPNCMZNJSKTLY-OKILXGFUSA-N	1	1	363.508	2.248	20	30		FEEDMO
C[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000903031687	690835683	/nfs/dbraw/zinc/83/56/83/690835683.db2.gz	NIKYVHORVSKAJI-HNNXBMFYSA-N	1	1	363.483	2.052	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1C(F)(F)F	ZINC000903211041	690867403	/nfs/dbraw/zinc/86/74/03/690867403.db2.gz	ALYNWDLVOMALGG-LBPRGKRZSA-N	1	1	359.373	2.046	20	30		FEEDMO
N#Cc1sccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1	ZINC000903497162	690901539	/nfs/dbraw/zinc/90/15/39/690901539.db2.gz	DSCUFHOXFIMREV-ZDUSSCGKSA-N	1	1	351.428	2.094	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)cn1	ZINC000906838481	691325200	/nfs/dbraw/zinc/32/52/00/691325200.db2.gz	REUYDICWILVDCT-UHFFFAOYSA-N	1	1	358.467	2.272	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cn2)C1	ZINC000906951252	691352347	/nfs/dbraw/zinc/35/23/47/691352347.db2.gz	ROINTWIILYBZEK-DOTOQJQBSA-N	1	1	362.499	2.228	20	30		FEEDMO
CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncnc3[nH]cc(C#N)c31)CC2	ZINC001164647217	719307085	/nfs/dbraw/zinc/30/70/85/719307085.db2.gz	LJQGBZNBUUXOJW-UHFFFAOYSA-N	1	1	364.457	2.231	20	30		FEEDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C#N)cc1C#N)C2	ZINC001164806383	720093679	/nfs/dbraw/zinc/09/36/79/720093679.db2.gz	BTZGDOYKFYYYIG-QUCCMNQESA-N	1	1	351.454	2.010	20	30		FEEDMO
Cc1nc(C#N)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164839297	720585881	/nfs/dbraw/zinc/58/58/81/720585881.db2.gz	NDSMYJHYIGIUAS-YTQUADARSA-N	1	1	365.485	2.231	20	30		FEEDMO
Cc1cc(C#N)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1C	ZINC001164865962	721075377	/nfs/dbraw/zinc/07/53/77/721075377.db2.gz	QLFJPBSOLTZPTQ-PMACEKPBSA-N	1	1	363.465	2.445	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc(C#N)cc4Cl)C[C@H]3C2)cn1	ZINC001164765800	721081394	/nfs/dbraw/zinc/08/13/94/721081394.db2.gz	JUTQTOJCEBBVSC-HZPDHXFCSA-N	1	1	356.861	2.298	20	30		FEEDMO
Cc1nc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1C#N	ZINC001164771359	721138457	/nfs/dbraw/zinc/13/84/57/721138457.db2.gz	SGXOSKOJZPOGRO-GJZGRUSLSA-N	1	1	371.876	2.002	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH]ccc5ncc(C#N)c4-5)C[C@H]3C2)cn1	ZINC001164773334	721180316	/nfs/dbraw/zinc/18/03/16/721180316.db2.gz	WHTHXEVHRNFIEB-DOTOQJQBSA-N	1	1	361.453	2.126	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5c(cc4C#N)CCC5)C[C@@H]3C2)cn1	ZINC001164762659	721199696	/nfs/dbraw/zinc/19/96/96/721199696.db2.gz	DCBDZOJLMBGMJK-MJGOQNOKSA-N	1	1	362.481	2.134	20	30		FEEDMO
Cc1ccc(C#N)c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1	ZINC001164891895	721393667	/nfs/dbraw/zinc/39/36/67/721393667.db2.gz	RJMOVONTNSXJLC-TZIWHRDSSA-N	1	1	369.513	2.027	20	30		FEEDMO
N#Cc1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1F	ZINC001164980435	722117042	/nfs/dbraw/zinc/11/70/42/722117042.db2.gz	RECRPXRDMSGRFC-ZWKOTPCHSA-N	1	1	367.428	2.215	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCOc2c(Br)cccc21	ZINC000800576410	674063183	/nfs/dbraw/zinc/06/31/83/674063183.db2.gz	JXNJZOGQNDYEPW-CABCVRRESA-N	1	1	363.255	2.487	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCOc2c(Br)cccc21	ZINC000800576410	674063184	/nfs/dbraw/zinc/06/31/84/674063184.db2.gz	JXNJZOGQNDYEPW-CABCVRRESA-N	1	1	363.255	2.487	20	30		FEEDMO
Cc1noc(C)c1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000023753196	539720235	/nfs/dbraw/zinc/72/02/35/539720235.db2.gz	PNHBDXMFYBPNPI-UHFFFAOYSA-N	1	1	352.438	2.440	20	30		FEEDMO
Cc1noc(C)c1CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000023753196	539720236	/nfs/dbraw/zinc/72/02/36/539720236.db2.gz	PNHBDXMFYBPNPI-UHFFFAOYSA-N	1	1	352.438	2.440	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)CN2CC[NH+](Cc3cccs3)CC2)cc1	ZINC000025232205	539751787	/nfs/dbraw/zinc/75/17/87/539751787.db2.gz	GOYLLCLXRFSCMG-QGZVFWFLSA-N	1	1	357.479	2.177	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(OC)c(OC(F)F)c1	ZINC000026453923	539787251	/nfs/dbraw/zinc/78/72/51/539787251.db2.gz	GSUFIFLIKYJNBO-NSHDSACASA-N	1	1	371.384	2.129	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1	ZINC000026453923	539787254	/nfs/dbraw/zinc/78/72/54/539787254.db2.gz	GSUFIFLIKYJNBO-NSHDSACASA-N	1	1	371.384	2.129	20	30		FEEDMO
COC(=O)c1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000027207691	539802088	/nfs/dbraw/zinc/80/20/88/539802088.db2.gz	CONIROKCKMEBGE-LJQANCHMSA-N	1	1	368.433	2.411	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(NC(=O)C2CC2)CC1	ZINC000046722007	540268531	/nfs/dbraw/zinc/26/85/31/540268531.db2.gz	ARWZILLTARYTJN-INIZCTEOSA-N	1	1	368.481	2.312	20	30		FEEDMO
C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046530135	540261240	/nfs/dbraw/zinc/26/12/40/540261240.db2.gz	BUWLZLWDFIQWNK-QAPCUYQASA-N	1	1	365.433	2.335	20	30		FEEDMO
C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000046530135	540261243	/nfs/dbraw/zinc/26/12/43/540261243.db2.gz	BUWLZLWDFIQWNK-QAPCUYQASA-N	1	1	365.433	2.335	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccccc2OC)N2CCCC2)CC1	ZINC000050024296	540397213	/nfs/dbraw/zinc/39/72/13/540397213.db2.gz	BSPLMPAIFWMTAW-HXUWFJFHSA-N	1	1	369.509	2.294	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1	ZINC000054990812	540620597	/nfs/dbraw/zinc/62/05/97/540620597.db2.gz	XLVZGOXLCKXNBY-IBGZPJMESA-N	1	1	354.454	2.324	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1	ZINC000054990812	540620602	/nfs/dbraw/zinc/62/06/02/540620602.db2.gz	XLVZGOXLCKXNBY-IBGZPJMESA-N	1	1	354.454	2.324	20	30		FEEDMO
C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1=O	ZINC000055119262	540630135	/nfs/dbraw/zinc/63/01/35/540630135.db2.gz	OWXLZHLDCBEFOC-LJQANCHMSA-N	1	1	365.408	2.499	20	30		FEEDMO
C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1=O	ZINC000055119262	540630139	/nfs/dbraw/zinc/63/01/39/540630139.db2.gz	OWXLZHLDCBEFOC-LJQANCHMSA-N	1	1	365.408	2.499	20	30		FEEDMO
COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000063495124	541171665	/nfs/dbraw/zinc/17/16/65/541171665.db2.gz	WJRSRVIFQKCUBI-QGZVFWFLSA-N	1	1	356.422	2.447	20	30		FEEDMO
CC(C)[N@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1ccc(C#N)cc1	ZINC000063750610	541183727	/nfs/dbraw/zinc/18/37/27/541183727.db2.gz	ORMZXKGPTSQIHT-QGZVFWFLSA-N	1	1	370.497	2.286	20	30		FEEDMO
CC(C)[N@@H+](CC(=O)N[C@H](C)C(=O)N1CCCCC1)Cc1ccc(C#N)cc1	ZINC000063750610	541183729	/nfs/dbraw/zinc/18/37/29/541183729.db2.gz	ORMZXKGPTSQIHT-QGZVFWFLSA-N	1	1	370.497	2.286	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@@H+](CC(=O)N(C2CC2)C2CCCC2)CC1	ZINC000064634701	541213699	/nfs/dbraw/zinc/21/36/99/541213699.db2.gz	VMAHLJIJFLZALI-UHFFFAOYSA-N	1	1	367.497	2.399	20	30		FEEDMO
N#Cc1cccnc1N1CCC[N@H+](CC(=O)N(C2CC2)C2CCCC2)CC1	ZINC000064634701	541213703	/nfs/dbraw/zinc/21/37/03/541213703.db2.gz	VMAHLJIJFLZALI-UHFFFAOYSA-N	1	1	367.497	2.399	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCN(C(=O)/C=C/c3ccc(OCC#N)cc3)CC2)CCO1	ZINC000066396088	541313739	/nfs/dbraw/zinc/31/37/39/541313739.db2.gz	XBNUZJOWHRMPQH-PFWMLDTASA-N	1	1	369.465	2.314	20	30		FEEDMO
CC[NH+]1CCN(c2ccc(C(=O)N[C@@]3(C#N)CCSC3)cc2F)CC1	ZINC000066917339	541393143	/nfs/dbraw/zinc/39/31/43/541393143.db2.gz	BEIWOHHNDVERQJ-GOSISDBHSA-N	1	1	362.474	2.097	20	30		FEEDMO
C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000067397799	541456378	/nfs/dbraw/zinc/45/63/78/541456378.db2.gz	AXSNUUOWUWEMIM-CHWSQXEVSA-N	1	1	362.861	2.387	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1	ZINC000068335324	541578388	/nfs/dbraw/zinc/57/83/88/541578388.db2.gz	KIOIXQJEDZIKOD-FQEVSTJZSA-N	1	1	362.518	2.202	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@]3(CNC(=O)C3)C2)cc1Cl	ZINC000072829391	541874869	/nfs/dbraw/zinc/87/48/69/541874869.db2.gz	LJFVCQOSTDRMNX-SFHVURJKSA-N	1	1	360.845	2.142	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C	ZINC000545190845	541897175	/nfs/dbraw/zinc/89/71/75/541897175.db2.gz	URFZNWQXQHHYTP-INIZCTEOSA-N	1	1	367.457	2.251	20	30		FEEDMO
CC(C)[C@H](CNC(=O)N[C@@H](C)c1cccc(C#N)c1)N1CC[NH+](C)CC1	ZINC000073595964	541971335	/nfs/dbraw/zinc/97/13/35/541971335.db2.gz	SGQRUFKHMFJIBX-LPHOPBHVSA-N	1	1	357.502	2.190	20	30		FEEDMO
COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1	ZINC000074297608	542066516	/nfs/dbraw/zinc/06/65/16/542066516.db2.gz	RMLQQWDUVXPPIN-QGZVFWFLSA-N	1	1	357.454	2.136	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1	ZINC000074655350	542107001	/nfs/dbraw/zinc/10/70/01/542107001.db2.gz	TUPVVEGXVWVSBY-INIZCTEOSA-N	1	1	350.532	2.329	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)N(CCC)CC(F)(F)F)C1	ZINC000075926236	542216624	/nfs/dbraw/zinc/21/66/24/542216624.db2.gz	SHPPYHHUGDKNSL-KBPBESRZSA-N	1	1	363.424	2.190	20	30		FEEDMO
CO[C@@H]1CCC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000076345423	542265761	/nfs/dbraw/zinc/26/57/61/542265761.db2.gz	DDNGKSYUPIKJRE-MRXNPFEDSA-N	1	1	354.372	2.284	20	30		FEEDMO
CO[C@@H]1CCC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1	ZINC000076345423	542265764	/nfs/dbraw/zinc/26/57/64/542265764.db2.gz	DDNGKSYUPIKJRE-MRXNPFEDSA-N	1	1	354.372	2.284	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)NC1CC[NH+](Cc2ccccn2)CC1	ZINC000077386298	542376468	/nfs/dbraw/zinc/37/64/68/542376468.db2.gz	IIKWXDRRLZAIAG-UHFFFAOYSA-N	1	1	370.478	2.205	20	30		FEEDMO
CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N(C)C[C@@H](C)C#N)cc2)CC1	ZINC000079856091	542545204	/nfs/dbraw/zinc/54/52/04/542545204.db2.gz	BCBPJOHYCIUHOA-INIZCTEOSA-N	1	1	371.485	2.017	20	30		FEEDMO
COc1ccc(C[N@H+](CCCSCC#N)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000080626340	542597903	/nfs/dbraw/zinc/59/79/03/542597903.db2.gz	UNQDSAOVFOJCAR-INIZCTEOSA-N	1	1	368.524	2.331	20	30		FEEDMO
COc1ccc(C[N@@H+](CCCSCC#N)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000080626340	542597906	/nfs/dbraw/zinc/59/79/06/542597906.db2.gz	UNQDSAOVFOJCAR-INIZCTEOSA-N	1	1	368.524	2.331	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000081097806	542633696	/nfs/dbraw/zinc/63/36/96/542633696.db2.gz	QEVRFDCZJIIVNJ-IRXDYDNUSA-N	1	1	363.483	2.174	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000084089949	542706681	/nfs/dbraw/zinc/70/66/81/542706681.db2.gz	NMWDHUWOTSOMAX-SJORKVTESA-N	1	1	363.483	2.174	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1	ZINC000092798948	542887843	/nfs/dbraw/zinc/88/78/43/542887843.db2.gz	VLSANLFWXGHJNY-GOSISDBHSA-N	1	1	356.470	2.033	20	30		FEEDMO
C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000103284912	543101395	/nfs/dbraw/zinc/10/13/95/543101395.db2.gz	WPZRKSCFPJAPSC-KGLIPLIRSA-N	1	1	362.861	2.172	20	30		FEEDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000104075756	543123124	/nfs/dbraw/zinc/12/31/24/543123124.db2.gz	GENLSMUZYIPMNO-QWHCGFSZSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000104075756	543123126	/nfs/dbraw/zinc/12/31/26/543123126.db2.gz	GENLSMUZYIPMNO-QWHCGFSZSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[N@H+](C)C1CC1	ZINC000105266108	543167414	/nfs/dbraw/zinc/16/74/14/543167414.db2.gz	ZMBMRJXHLYRCFH-KRWDZBQOSA-N	1	1	369.513	2.258	20	30		FEEDMO
C[C@@H](CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)[N@@H+](C)C1CC1	ZINC000105266108	543167420	/nfs/dbraw/zinc/16/74/20/543167420.db2.gz	ZMBMRJXHLYRCFH-KRWDZBQOSA-N	1	1	369.513	2.258	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCCNC1=O	ZINC000105613828	543177834	/nfs/dbraw/zinc/17/78/34/543177834.db2.gz	RIUNZZIMXZDOLC-CQSZACIVSA-N	1	1	360.483	2.038	20	30		FEEDMO
C#CCOc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1	ZINC000108606929	543297388	/nfs/dbraw/zinc/29/73/88/543297388.db2.gz	IDNGKHNQSWHRIP-QGZVFWFLSA-N	1	1	371.481	2.408	20	30		FEEDMO
CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1	ZINC000109405869	543324063	/nfs/dbraw/zinc/32/40/63/543324063.db2.gz	ILMIZALRKHRKSZ-UHFFFAOYSA-N	1	1	371.485	2.162	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC[C@@H]1CN1CCOCC1	ZINC000109820621	543340411	/nfs/dbraw/zinc/34/04/11/543340411.db2.gz	ZUBDFUPRPZJXKE-MRXNPFEDSA-N	1	1	362.499	2.135	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C#N)cn3)CC2)oc1C	ZINC000111154319	543384140	/nfs/dbraw/zinc/38/41/40/543384140.db2.gz	HQWBBSWKZTWXCM-UHFFFAOYSA-N	1	1	353.426	2.200	20	30		FEEDMO
COc1ccc([C@H](CO)[N@@H+](C)C[C@H](O)COc2ccc(CC#N)cc2)cc1	ZINC000113510072	543489052	/nfs/dbraw/zinc/48/90/52/543489052.db2.gz	LPLDSKZJJFECFI-RXVVDRJESA-N	1	1	370.449	2.166	20	30		FEEDMO
CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)CC[NH+]1CCOCC1	ZINC000114368364	543511286	/nfs/dbraw/zinc/51/12/86/543511286.db2.gz	OZANEAAWAORRAC-VQIMIIECSA-N	1	1	359.470	2.189	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2OCC#N)[C@H](C)C1	ZINC000115273542	543557856	/nfs/dbraw/zinc/55/78/56/543557856.db2.gz	DGLHHNRLCRVWEK-SJLPKXTDSA-N	1	1	359.470	2.456	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000118898541	543661691	/nfs/dbraw/zinc/66/16/91/543661691.db2.gz	AJFKAPSHIFSTPY-AWEZNQCLSA-N	1	1	360.483	2.089	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)C#Cc2ccc3c(c2)OCO3)[C@H](C)C1	ZINC000119301689	543665698	/nfs/dbraw/zinc/66/56/98/543665698.db2.gz	VYWGVTBWOMUQIF-SJLPKXTDSA-N	1	1	372.465	2.020	20	30		FEEDMO
C=CCCS(=O)(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000120440496	543680299	/nfs/dbraw/zinc/68/02/99/543680299.db2.gz	PVCFARBBUMIOLK-UHFFFAOYSA-N	1	1	371.934	2.348	20	30		FEEDMO
C[N@@H+](CCOc1cccc(CNc2cnc(C#N)cn2)c1)C1CCOCC1	ZINC000123667301	543775832	/nfs/dbraw/zinc/77/58/32/543775832.db2.gz	CRKYUTFVCDYORH-UHFFFAOYSA-N	1	1	367.453	2.450	20	30		FEEDMO
C[C@H](c1ccccc1)[N@@H+](CCC(=O)Nc1sccc1C#N)CC(N)=O	ZINC000123845928	543787147	/nfs/dbraw/zinc/78/71/47/543787147.db2.gz	BAYQCCQGUFAJIS-CYBMUJFWSA-N	1	1	356.451	2.497	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3CC(C)C)CC2)o1	ZINC000123648872	543775089	/nfs/dbraw/zinc/77/50/89/543775089.db2.gz	JFMROCIWTGNSKB-QGZVFWFLSA-N	1	1	373.501	2.404	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)cc(OC)c1O	ZINC000124451006	543822257	/nfs/dbraw/zinc/82/22/57/543822257.db2.gz	MRIHDEWGIFDDFP-GOSISDBHSA-N	1	1	374.481	2.200	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)[C@H](C)C1	ZINC000127366079	543988341	/nfs/dbraw/zinc/98/83/41/543988341.db2.gz	RROQHEKLSZVDFB-RDTXWAMCSA-N	1	1	366.469	2.128	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1	ZINC000127373646	543989043	/nfs/dbraw/zinc/98/90/43/543989043.db2.gz	PNMGSWWEGNPIMN-CQSZACIVSA-N	1	1	355.398	2.347	20	30		FEEDMO
COC(=O)c1ccccc1C[N@@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000129631736	544121294	/nfs/dbraw/zinc/12/12/94/544121294.db2.gz	HRRVFSOOEKQWEW-UHFFFAOYSA-N	1	1	350.422	2.452	20	30		FEEDMO
COC(=O)c1ccccc1C[N@H+]1CCCN(c2ncccc2C#N)CC1	ZINC000129631736	544121295	/nfs/dbraw/zinc/12/12/95/544121295.db2.gz	HRRVFSOOEKQWEW-UHFFFAOYSA-N	1	1	350.422	2.452	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1	ZINC000130240424	544144095	/nfs/dbraw/zinc/14/40/95/544144095.db2.gz	UAUMCBDOCJTPNM-UHFFFAOYSA-N	1	1	363.425	2.041	20	30		FEEDMO
CCN1CC[NH+](CCC(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1	ZINC000130542774	544155009	/nfs/dbraw/zinc/15/50/09/544155009.db2.gz	BTRAKYVBZFFJRM-UHFFFAOYSA-N	1	1	362.477	2.448	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCn4cncc4C3)CC2)cc1	ZINC000130572507	544156432	/nfs/dbraw/zinc/15/64/32/544156432.db2.gz	DEILIYILGFNRTE-IBGZPJMESA-N	1	1	363.465	2.052	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)CC1	ZINC000130889571	544169395	/nfs/dbraw/zinc/16/93/95/544169395.db2.gz	GNCSAONRIGSLER-UHFFFAOYSA-N	1	1	364.511	2.477	20	30		FEEDMO
CC(C)(C#N)c1ccccc1CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000131338731	544186410	/nfs/dbraw/zinc/18/64/10/544186410.db2.gz	ITHQATDYGDGDHL-IBGZPJMESA-N	1	1	354.498	2.402	20	30		FEEDMO
CC(C)(C#N)c1ccccc1CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1	ZINC000131338731	544186413	/nfs/dbraw/zinc/18/64/13/544186413.db2.gz	ITHQATDYGDGDHL-IBGZPJMESA-N	1	1	354.498	2.402	20	30		FEEDMO
N#CCCN(C(=O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)c1ccccc1	ZINC000131822820	544208272	/nfs/dbraw/zinc/20/82/72/544208272.db2.gz	HIEGALYTGHWOLE-LJQANCHMSA-N	1	1	350.422	2.482	20	30		FEEDMO
N#CCCN(C(=O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1)c1ccccc1	ZINC000131822820	544208275	/nfs/dbraw/zinc/20/82/75/544208275.db2.gz	HIEGALYTGHWOLE-LJQANCHMSA-N	1	1	350.422	2.482	20	30		FEEDMO
C=C(C)COCCNC(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1	ZINC000135033723	544331552	/nfs/dbraw/zinc/33/15/52/544331552.db2.gz	MVBOXRMNSFXUGP-UHFFFAOYSA-N	1	1	374.529	2.216	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCCCO3)CC2)cc1	ZINC000139406940	544402174	/nfs/dbraw/zinc/40/21/74/544402174.db2.gz	BWGRIMPTKYBXAA-LJQANCHMSA-N	1	1	356.470	2.345	20	30		FEEDMO
C=CCCCCC[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1	ZINC000150877790	544481954	/nfs/dbraw/zinc/48/19/54/544481954.db2.gz	OQJFLRVYRMRBIA-UHFFFAOYSA-N	1	1	359.474	2.182	20	30		FEEDMO
C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000150879170	544482405	/nfs/dbraw/zinc/48/24/05/544482405.db2.gz	ACHMUXPLNUBVPY-CQSZACIVSA-N	1	1	353.488	2.339	20	30		FEEDMO
CCN(C(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1C#N)C1CCCCC1	ZINC000153342161	544763146	/nfs/dbraw/zinc/76/31/46/544763146.db2.gz	MTPVHEVXJBPIPS-CQSZACIVSA-N	1	1	360.506	2.298	20	30		FEEDMO
CNC(=O)CCC[N@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000154961223	544970667	/nfs/dbraw/zinc/97/06/67/544970667.db2.gz	PKXPVJZBBNRSFP-UHFFFAOYSA-N	1	1	362.499	2.285	20	30		FEEDMO
CNC(=O)CCC[N@@H+](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000154961223	544970672	/nfs/dbraw/zinc/97/06/72/544970672.db2.gz	PKXPVJZBBNRSFP-UHFFFAOYSA-N	1	1	362.499	2.285	20	30		FEEDMO
COCC[N@@H+](C)CCCNc1c(C#N)cnc2c(F)c(F)c(F)cc21	ZINC000553276852	674250113	/nfs/dbraw/zinc/25/01/13/674250113.db2.gz	QFAVFQBXVYZJPC-UHFFFAOYSA-N	1	1	352.360	2.326	20	30		FEEDMO
CC[N@@H+](CCO)CCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1	ZINC000187401342	328022939	/nfs/dbraw/zinc/02/29/39/328022939.db2.gz	IBOOOCGEANULMG-UHFFFAOYSA-N	1	1	366.465	2.339	20	30		FEEDMO
COCCO[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1	ZINC000189676554	328161451	/nfs/dbraw/zinc/16/14/51/328161451.db2.gz	VOFUAFOZXWCIPU-CYBMUJFWSA-N	1	1	363.483	2.174	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CC1(O)CCOCC1	ZINC000189753852	328166135	/nfs/dbraw/zinc/16/61/35/328166135.db2.gz	YHIOXNMXADIMNM-LBPRGKRZSA-N	1	1	351.834	2.012	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC([C@@H]4CCCO4)CC3)C2=O)cc1	ZINC000190079521	328186449	/nfs/dbraw/zinc/18/64/49/328186449.db2.gz	VXIQRSVWOSVGAQ-MSOLQXFVSA-N	1	1	353.422	2.081	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1	ZINC000190148813	328191040	/nfs/dbraw/zinc/19/10/40/328191040.db2.gz	UOTIJNQLUPORES-CQSZACIVSA-N	1	1	360.458	2.266	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3ccnc(C#N)c3)CC2)C[C@H](C)O1	ZINC000193458646	328376876	/nfs/dbraw/zinc/37/68/76/328376876.db2.gz	IHUMSYFLAKASKP-IYBDPMFKSA-N	1	1	356.470	2.305	20	30		FEEDMO
CCC[N@H+]1CC[C@@H](CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1	ZINC000193785731	328395108	/nfs/dbraw/zinc/39/51/08/328395108.db2.gz	ABCGJIRNHZSQCC-INIZCTEOSA-N	1	1	373.476	2.261	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1	ZINC000080286630	325127693	/nfs/dbraw/zinc/12/76/93/325127693.db2.gz	XLENXRLVGMTJMP-UHFFFAOYSA-N	1	1	362.433	2.231	20	30		FEEDMO
N#Cc1cccc(NC(=O)C2CC[NH+](CC(=O)NCc3ccco3)CC2)c1	ZINC000116402081	326011778	/nfs/dbraw/zinc/01/17/78/326011778.db2.gz	PVANXDJTASMWFG-UHFFFAOYSA-N	1	1	366.421	2.118	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc(C#N)ccc1OC(C)C	ZINC000118126792	326084150	/nfs/dbraw/zinc/08/41/50/326084150.db2.gz	KESGVHGDAQKXFH-MRXNPFEDSA-N	1	1	372.469	2.275	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1	ZINC000120467132	326260993	/nfs/dbraw/zinc/26/09/93/326260993.db2.gz	CJNVIBSBVHAUNR-ZBFHGGJFSA-N	1	1	372.469	2.225	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cc(C#N)ccc2Cl)C1	ZINC000122159457	326386274	/nfs/dbraw/zinc/38/62/74/326386274.db2.gz	UOPQFWWFFUFWAW-CJNGLKHVSA-N	1	1	360.845	2.093	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1	ZINC000162123833	327017442	/nfs/dbraw/zinc/01/74/42/327017442.db2.gz	SCBKOXRCKUBSIA-GFCCVEGCSA-N	1	1	361.389	2.340	20	30		FEEDMO
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@@H+]1Cc1ccccc1	ZINC000174084056	327305221	/nfs/dbraw/zinc/30/52/21/327305221.db2.gz	QRTVDDPYUHNHAB-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
C[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1	ZINC000174084056	327305223	/nfs/dbraw/zinc/30/52/23/327305223.db2.gz	QRTVDDPYUHNHAB-MRXNPFEDSA-N	1	1	370.478	2.238	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C	ZINC000264729166	329053958	/nfs/dbraw/zinc/05/39/58/329053958.db2.gz	QBJYUTYNLADFFU-KRWDZBQOSA-N	1	1	368.485	2.141	20	30		FEEDMO
CCCNC(=O)C[NH+]1CCC(Nc2nc(C(F)(F)F)ccc2C#N)CC1	ZINC000265197611	329101254	/nfs/dbraw/zinc/10/12/54/329101254.db2.gz	MAIDZUJLUKLTIY-UHFFFAOYSA-N	1	1	369.391	2.375	20	30		FEEDMO
CNC(=O)C[NH+]1CCC(Nc2c(C#N)cnc3ccc(Cl)cc32)CC1	ZINC000266073558	329187672	/nfs/dbraw/zinc/18/76/72/329187672.db2.gz	JCRVTEMZQLROFF-UHFFFAOYSA-N	1	1	357.845	2.382	20	30		FEEDMO
CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	ZINC000266523143	329232741	/nfs/dbraw/zinc/23/27/41/329232741.db2.gz	CUXWWPUZTPRWKB-UHFFFAOYSA-N	1	1	370.375	2.362	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)CC2)o1	ZINC000276455363	330153706	/nfs/dbraw/zinc/15/37/06/330153706.db2.gz	NXVFKEXUIVLJGS-INIZCTEOSA-N	1	1	373.501	2.308	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1	ZINC000367178639	330226445	/nfs/dbraw/zinc/22/64/45/330226445.db2.gz	ACBWPDVNULCJJA-OAHLLOKOSA-N	1	1	361.492	2.420	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CCCc2cc(C#N)ccc21	ZINC000416706001	330262466	/nfs/dbraw/zinc/26/24/66/330262466.db2.gz	MHGULFMDNDYAGV-OXQOHEQNSA-N	1	1	369.513	2.261	20	30		FEEDMO
C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)C1	ZINC000555405113	674359437	/nfs/dbraw/zinc/35/94/37/674359437.db2.gz	FUWAGWYLKSVHTR-INIZCTEOSA-N	1	1	353.875	2.318	20	30		FEEDMO
Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1C#N	ZINC000155500982	545534265	/nfs/dbraw/zinc/53/42/65/545534265.db2.gz	FXYDCDOOKWYRML-MRXNPFEDSA-N	1	1	356.470	2.289	20	30		FEEDMO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C[C@H](C)O)c1C#N	ZINC000156316995	545617031	/nfs/dbraw/zinc/61/70/31/545617031.db2.gz	KHLYCZXCWDOXRS-ZDUSSCGKSA-N	1	1	372.444	2.415	20	30		FEEDMO
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)C[C@H](C)O)c1C#N	ZINC000156316995	545617034	/nfs/dbraw/zinc/61/70/34/545617034.db2.gz	KHLYCZXCWDOXRS-ZDUSSCGKSA-N	1	1	372.444	2.415	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc(C#N)cc1F	ZINC000478167240	561161251	/nfs/dbraw/zinc/16/12/51/561161251.db2.gz	IILSRXITYVEFSX-CQSZACIVSA-N	1	1	353.463	2.381	20	30		FEEDMO
O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCC[NH+]1CCSCC1	ZINC000478396324	561165773	/nfs/dbraw/zinc/16/57/73/561165773.db2.gz	GKUCYUGKVLLVSY-UHFFFAOYSA-N	1	1	371.428	2.405	20	30		FEEDMO
CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000164454427	546150976	/nfs/dbraw/zinc/15/09/76/546150976.db2.gz	KIJWDFMLAKHZPX-IBGZPJMESA-N	1	1	362.433	2.060	20	30		FEEDMO
CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1	ZINC000164454427	546150980	/nfs/dbraw/zinc/15/09/80/546150980.db2.gz	KIJWDFMLAKHZPX-IBGZPJMESA-N	1	1	362.433	2.060	20	30		FEEDMO
C[C@H]1C[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCCO1	ZINC000170768190	546174976	/nfs/dbraw/zinc/17/49/76/546174976.db2.gz	JJLSKYWUIYIITC-AWEZNQCLSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[C@H]1C[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCCO1	ZINC000170768190	546174981	/nfs/dbraw/zinc/17/49/81/546174981.db2.gz	JJLSKYWUIYIITC-AWEZNQCLSA-N	1	1	354.372	2.284	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)NCCCCC#N)C[C@H](C)O1	ZINC000171474434	546210900	/nfs/dbraw/zinc/21/09/00/546210900.db2.gz	VWIAYFNLJBFQBO-IYBDPMFKSA-N	1	1	372.469	2.044	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)NCCCCC#N)C[C@H](C)O1	ZINC000171474434	546210903	/nfs/dbraw/zinc/21/09/03/546210903.db2.gz	VWIAYFNLJBFQBO-IYBDPMFKSA-N	1	1	372.469	2.044	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1	ZINC000171537721	546214121	/nfs/dbraw/zinc/21/41/21/546214121.db2.gz	IFSNASOQHHLLAN-UHFFFAOYSA-N	1	1	373.862	2.485	20	30		FEEDMO
CNC(=O)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1	ZINC000175031808	546305753	/nfs/dbraw/zinc/30/57/53/546305753.db2.gz	NNKQJTNFENLRBX-KRWDZBQOSA-N	1	1	370.497	2.478	20	30		FEEDMO
Cn1cc(CNc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)cc1C#N	ZINC000480295222	561206515	/nfs/dbraw/zinc/20/65/15/561206515.db2.gz	QXVBYTTZRZCYAR-KRWDZBQOSA-N	1	1	351.454	2.206	20	30		FEEDMO
Cc1cc(C#N)cc(C)c1OCC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1	ZINC000178185655	546754176	/nfs/dbraw/zinc/75/41/76/546754176.db2.gz	ZRNUNFWUXUZNAP-GOSISDBHSA-N	1	1	359.470	2.027	20	30		FEEDMO
C=CCOc1ccc(OCC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1	ZINC000178187342	546755670	/nfs/dbraw/zinc/75/56/70/546755670.db2.gz	IVOMNKLKIOPZHF-IBGZPJMESA-N	1	1	362.470	2.103	20	30		FEEDMO
N#Cc1ccc(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)cc1	ZINC000179430679	546952749	/nfs/dbraw/zinc/95/27/49/546952749.db2.gz	ANQPKXGONPBXGC-NHCUHLMSSA-N	1	1	363.461	2.100	20	30		FEEDMO
C[N@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](CC(N)=O)c1ccccc1	ZINC000483098044	561267133	/nfs/dbraw/zinc/26/71/33/561267133.db2.gz	BUYJNWMPWODQML-IBGZPJMESA-N	1	1	364.449	2.482	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)[C@@H](CC(N)=O)c1ccccc1	ZINC000483098044	561267134	/nfs/dbraw/zinc/26/71/34/561267134.db2.gz	BUYJNWMPWODQML-IBGZPJMESA-N	1	1	364.449	2.482	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(Br)c1	ZINC000181120467	547254012	/nfs/dbraw/zinc/25/40/12/547254012.db2.gz	ZNYJNOKXNXGQRU-HNNXBMFYSA-N	1	1	364.287	2.475	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c(Br)c1	ZINC000181120467	547254015	/nfs/dbraw/zinc/25/40/15/547254015.db2.gz	ZNYJNOKXNXGQRU-HNNXBMFYSA-N	1	1	364.287	2.475	20	30		FEEDMO
C=C(C)CN(C)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000181655159	547352867	/nfs/dbraw/zinc/35/28/67/547352867.db2.gz	YUZFOQOXMUARRI-UHFFFAOYSA-N	1	1	360.458	2.123	20	30		FEEDMO
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C(=O)N(C)C)CC1	ZINC000181964535	547414728	/nfs/dbraw/zinc/41/47/28/547414728.db2.gz	UKTSAHADFHDNTQ-INIZCTEOSA-N	1	1	356.470	2.122	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2ccc(OCC(F)F)cc2)CC1	ZINC000182603381	547520694	/nfs/dbraw/zinc/52/06/94/547520694.db2.gz	JOOWADDOBUBHIC-UHFFFAOYSA-N	1	1	360.426	2.259	20	30		FEEDMO
CC[C@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1CCOC	ZINC000182751920	547546209	/nfs/dbraw/zinc/54/62/09/547546209.db2.gz	XSKMOOMQRBYTTB-AZUAARDMSA-N	1	1	370.497	2.096	20	30		FEEDMO
C=C(C)CN(C)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000182780512	547551133	/nfs/dbraw/zinc/55/11/33/547551133.db2.gz	BFWWVHOGEXWHKI-GOSISDBHSA-N	1	1	358.486	2.101	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1	ZINC000182807154	547555034	/nfs/dbraw/zinc/55/50/34/547555034.db2.gz	OTDZIQNKWSOIIJ-CYBMUJFWSA-N	1	1	357.380	2.301	20	30		FEEDMO
CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1	ZINC000184609274	547853416	/nfs/dbraw/zinc/85/34/16/547853416.db2.gz	PWLRGLIHKUOEDC-OAHLLOKOSA-N	1	1	367.457	2.238	20	30		FEEDMO
C=CCOc1ccccc1CNC(=O)N[C@H](C)CCN1CC[NH+](C)CC1	ZINC000185700756	548022391	/nfs/dbraw/zinc/02/23/91/548022391.db2.gz	PXIXWVBPNHPYCJ-QGZVFWFLSA-N	1	1	360.502	2.077	20	30		FEEDMO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1	ZINC000186018445	548073700	/nfs/dbraw/zinc/07/37/00/548073700.db2.gz	KEDOTNSUEVYENT-AWEZNQCLSA-N	1	1	356.344	2.141	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2Cc3ccccc3C3(CC3)C2)CC1	ZINC000186183772	548095531	/nfs/dbraw/zinc/09/55/31/548095531.db2.gz	ZSPBNAXWLCHORA-HXUWFJFHSA-N	1	1	366.509	2.226	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2Cc3ccccc3C3(CC3)C2)CC1	ZINC000186183772	548095535	/nfs/dbraw/zinc/09/55/35/548095535.db2.gz	ZSPBNAXWLCHORA-HXUWFJFHSA-N	1	1	366.509	2.226	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1	ZINC000186947890	548226051	/nfs/dbraw/zinc/22/60/51/548226051.db2.gz	OUVMPNZVWOCFPO-MRXNPFEDSA-N	1	1	361.461	2.203	20	30		FEEDMO
C=C(C)[C@H]([NH2+][C@H](C)C(=O)N1CCC(C(N)=O)CC1)c1ccc(F)c(F)c1	ZINC000187776215	548264390	/nfs/dbraw/zinc/26/43/90/548264390.db2.gz	NQVVUGWODICCSW-PXAZEXFGSA-N	1	1	365.424	2.284	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1	ZINC000192829782	548373656	/nfs/dbraw/zinc/37/36/56/548373656.db2.gz	GUDHYZXJZMXRBQ-LSDHHAIUSA-N	1	1	356.388	2.324	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2ccc(C#N)c(C)c2)CC1	ZINC000487922320	561378927	/nfs/dbraw/zinc/37/89/27/561378927.db2.gz	UGZLQAFOJWPBOE-UHFFFAOYSA-N	1	1	357.454	2.100	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2ccc(C#N)c(C)c2)CC1	ZINC000487922320	561378928	/nfs/dbraw/zinc/37/89/28/561378928.db2.gz	UGZLQAFOJWPBOE-UHFFFAOYSA-N	1	1	357.454	2.100	20	30		FEEDMO
COCCO[C@@H]1CCC[N@@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245521480	548938765	/nfs/dbraw/zinc/93/87/65/548938765.db2.gz	KQKMEHHDNRYZIH-MOPGFXCFSA-N	1	1	357.454	2.181	20	30		FEEDMO
COCCO[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000245521480	548938769	/nfs/dbraw/zinc/93/87/69/548938769.db2.gz	KQKMEHHDNRYZIH-MOPGFXCFSA-N	1	1	357.454	2.181	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](Cn4ccnn4)C3)C2=O)cc1	ZINC000245536577	548940842	/nfs/dbraw/zinc/94/08/42/548940842.db2.gz	XIRKPYFFIJUZCK-MJGOQNOKSA-N	1	1	364.453	2.057	20	30		FEEDMO
CO[C@@H]1C[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H]1OC	ZINC000487995637	561380872	/nfs/dbraw/zinc/38/08/72/561380872.db2.gz	ASEVNXZQICVJBN-QXAKKESOSA-N	1	1	359.470	2.284	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000245731897	548983373	/nfs/dbraw/zinc/98/33/73/548983373.db2.gz	CKXUCVHNHMWWOU-GOEBONIOSA-N	1	1	372.494	2.424	20	30		FEEDMO
CC(C)CN1C[C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)CCN2C1=O	ZINC000488749508	561396022	/nfs/dbraw/zinc/39/60/22/561396022.db2.gz	RWZMRQGGIBTAKZ-SFHVURJKSA-N	1	1	356.470	2.405	20	30		FEEDMO
CC(C)CN1C[C@@H]2C[N@@H+](CCCOc3cccc(C#N)c3)CCN2C1=O	ZINC000488749508	561396023	/nfs/dbraw/zinc/39/60/23/561396023.db2.gz	RWZMRQGGIBTAKZ-SFHVURJKSA-N	1	1	356.470	2.405	20	30		FEEDMO
C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[N@@H+]1[C@H](C)CC[C@@H]1C	ZINC000246703908	549192688	/nfs/dbraw/zinc/19/26/88/549192688.db2.gz	KGLXURQAETYACP-AJYBTWMASA-N	1	1	354.498	2.484	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1SC[C@H](C)C#N	ZINC000246741138	549201493	/nfs/dbraw/zinc/20/14/93/549201493.db2.gz	QQCMHMLALBQTOD-CABCVRRESA-N	1	1	374.510	2.477	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+]1CC[C@H]2OCCC[C@H]2C1	ZINC000246878361	549234156	/nfs/dbraw/zinc/23/41/56/549234156.db2.gz	UUPAHMUQVYVEMJ-MAUKXSAKSA-N	1	1	365.437	2.183	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1CC[C@H]2OCCC[C@H]2C1	ZINC000246878361	549234161	/nfs/dbraw/zinc/23/41/61/549234161.db2.gz	UUPAHMUQVYVEMJ-MAUKXSAKSA-N	1	1	365.437	2.183	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1	ZINC000489025182	561401886	/nfs/dbraw/zinc/40/18/86/561401886.db2.gz	GRHZMIMGCAIHBX-SJLPKXTDSA-N	1	1	371.412	2.375	20	30		FEEDMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1	ZINC000247669583	549370965	/nfs/dbraw/zinc/37/09/65/549370965.db2.gz	ZESOLDWJIXJDBT-LRDDRELGSA-N	1	1	353.875	2.316	20	30		FEEDMO
C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1	ZINC000489444253	561411428	/nfs/dbraw/zinc/41/14/28/561411428.db2.gz	WDXSDQIYUXLVNA-HXUWFJFHSA-N	1	1	369.509	2.306	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1	ZINC000249525683	549600596	/nfs/dbraw/zinc/60/05/96/549600596.db2.gz	YFURMOFKDXRTII-HUUCEWRRSA-N	1	1	362.499	2.469	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1	ZINC000249525683	549600603	/nfs/dbraw/zinc/60/06/03/549600603.db2.gz	YFURMOFKDXRTII-HUUCEWRRSA-N	1	1	362.499	2.469	20	30		FEEDMO
C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C(N)=O)C1	ZINC000249527857	549600891	/nfs/dbraw/zinc/60/08/91/549600891.db2.gz	AILITEJTJFVCRL-BXUZGUMPSA-N	1	1	360.483	2.023	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H](C)O1	ZINC000251920308	549657423	/nfs/dbraw/zinc/65/74/23/549657423.db2.gz	SICLGDUTRWGKBA-DOMZBBRYSA-N	1	1	351.834	2.276	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)[C@@H](C)C1	ZINC000253544300	549692469	/nfs/dbraw/zinc/69/24/69/549692469.db2.gz	NHHWBZREDYLGBA-SCLBCKFNSA-N	1	1	358.486	2.397	20	30		FEEDMO
C[NH+]=C(NCc1nc(-c2ccccc2)c[nH]1)N[C@H]1CN(C2CC2)C[C@@H]1C	ZINC000261937888	549771928	/nfs/dbraw/zinc/77/19/28/549771928.db2.gz	CXTMPBOQQRLEOP-KSSFIOAISA-N	1	1	352.486	2.224	20	30		FEEDMO
CC[NH+]=C(NC[C@H]1CN(C)CCN1C)N[C@H]1CC(C)(C)Oc2ccccc21	ZINC000261965020	549774333	/nfs/dbraw/zinc/77/43/33/549774333.db2.gz	LETLMJQWLWXMMB-WMZOPIPTSA-N	1	1	373.545	2.090	20	30		FEEDMO
CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1	ZINC000263721576	549925533	/nfs/dbraw/zinc/92/55/33/549925533.db2.gz	OORGTACNVVKLPR-KRWDZBQOSA-N	1	1	372.469	2.021	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCC#Cc2ccccc2)CC1	ZINC000264285116	549993904	/nfs/dbraw/zinc/99/39/04/549993904.db2.gz	SONQRFVNTWDLKQ-BGYRXZFFSA-N	1	1	368.525	2.238	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccccc2N(C)C(=O)c2ccco2)CC1	ZINC000264481441	549996544	/nfs/dbraw/zinc/99/65/44/549996544.db2.gz	QDWZJFHMOQRWEA-UHFFFAOYSA-N	1	1	365.433	2.337	20	30		FEEDMO
CC(C)c1nc(CO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C)no1	ZINC000264825679	550002123	/nfs/dbraw/zinc/00/21/23/550002123.db2.gz	GVLXGYUFFPWAPB-NSHDSACASA-N	1	1	355.439	2.485	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1	ZINC000264905912	550003531	/nfs/dbraw/zinc/00/35/31/550003531.db2.gz	CWLZVYHCBGHXQU-QGZVFWFLSA-N	1	1	370.497	2.231	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2ccc(CNC(=O)C=C(C)C)cc2)CC1	ZINC000266302721	550019371	/nfs/dbraw/zinc/01/93/71/550019371.db2.gz	RHXIKZKVCDTUBS-UHFFFAOYSA-N	1	1	353.466	2.050	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1	ZINC000267725084	550034110	/nfs/dbraw/zinc/03/41/10/550034110.db2.gz	MILPKPOBIZHYAD-LSDHHAIUSA-N	1	1	366.531	2.049	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1	ZINC000267725084	550034113	/nfs/dbraw/zinc/03/41/13/550034113.db2.gz	MILPKPOBIZHYAD-LSDHHAIUSA-N	1	1	366.531	2.049	20	30		FEEDMO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2cn[nH]c21	ZINC000269021015	550145344	/nfs/dbraw/zinc/14/53/44/550145344.db2.gz	IDQIKCKFPPPLII-SFHVURJKSA-N	1	1	366.469	2.432	20	30		FEEDMO
CCNC(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1	ZINC000492510937	561451609	/nfs/dbraw/zinc/45/16/09/561451609.db2.gz	AHGIXCBMDLTLAD-UHFFFAOYSA-N	1	1	362.477	2.479	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)c2[nH]c(-c3cccc(OC)c3)nc2C)CC1	ZINC000270014340	550243304	/nfs/dbraw/zinc/24/33/04/550243304.db2.gz	COKMVDFFPAUENW-UHFFFAOYSA-N	1	1	352.438	2.175	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)OCC	ZINC000270082434	550247889	/nfs/dbraw/zinc/24/78/89/550247889.db2.gz	VPUYWBIACBHZCL-ROUUACIJSA-N	1	1	360.502	2.080	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21	ZINC000270548365	550282564	/nfs/dbraw/zinc/28/25/64/550282564.db2.gz	YMJFKDLKLJWGRB-QGZVFWFLSA-N	1	1	364.453	2.157	20	30		FEEDMO
N#CCc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1	ZINC000270871077	550315844	/nfs/dbraw/zinc/31/58/44/550315844.db2.gz	ODHIQTHIZRYQQP-LEWJYISDSA-N	1	1	363.461	2.365	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc(OC)c1O	ZINC000271085802	550338801	/nfs/dbraw/zinc/33/88/01/550338801.db2.gz	TUBKSLQBOKISHB-INIZCTEOSA-N	1	1	368.499	2.033	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)cc(OC)c1O	ZINC000271085802	550338802	/nfs/dbraw/zinc/33/88/02/550338802.db2.gz	TUBKSLQBOKISHB-INIZCTEOSA-N	1	1	368.499	2.033	20	30		FEEDMO
COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000271131133	550343499	/nfs/dbraw/zinc/34/34/99/550343499.db2.gz	KDZGEXJTMGODKO-PKOBYXMFSA-N	1	1	372.513	2.400	20	30		FEEDMO
COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1	ZINC000271131129	550343539	/nfs/dbraw/zinc/34/35/39/550343539.db2.gz	KDZGEXJTMGODKO-IEBWSBKVSA-N	1	1	372.513	2.400	20	30		FEEDMO
C#CCC[NH+]1CCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1	ZINC000271989213	550414847	/nfs/dbraw/zinc/41/48/47/550414847.db2.gz	DODBOGOQAITNRF-QGZVFWFLSA-N	1	1	365.399	2.452	20	30		FEEDMO
C#CCC[NH+]1CCN(CC(=O)Nc2ccc(N3CCCCC3)cc2)CC1	ZINC000272034303	550418043	/nfs/dbraw/zinc/41/80/43/550418043.db2.gz	PVLJWGCWXGVKHR-UHFFFAOYSA-N	1	1	354.498	2.256	20	30		FEEDMO
Cc1cc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)nn1CCC#N	ZINC000272083538	550421594	/nfs/dbraw/zinc/42/15/94/550421594.db2.gz	MANLAGTYNZRIRF-UHFFFAOYSA-N	1	1	366.469	2.497	20	30		FEEDMO
COc1ccc(CCNC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)cc1OC	ZINC000272514111	550454614	/nfs/dbraw/zinc/45/46/14/550454614.db2.gz	GQBUTKGXIWXFDC-HNNXBMFYSA-N	1	1	359.470	2.377	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1	ZINC000272989221	550479692	/nfs/dbraw/zinc/47/96/92/550479692.db2.gz	KKJKEIIZBCLXCC-IBGZPJMESA-N	1	1	355.463	2.252	20	30		FEEDMO
N#Cc1ccc([C@H]([NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)C(N)=O)cc1	ZINC000494498692	561470804	/nfs/dbraw/zinc/47/08/04/561470804.db2.gz	XHQVFIJJLHXPKC-BZSNNMDCSA-N	1	1	357.360	2.483	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1	ZINC000276305575	550577861	/nfs/dbraw/zinc/57/78/61/550577861.db2.gz	XTCZWVQRDRMSHC-IBGZPJMESA-N	1	1	361.436	2.097	20	30		FEEDMO
C[C@@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@@](=O)C1	ZINC000277439689	550670895	/nfs/dbraw/zinc/67/08/95/550670895.db2.gz	LGIOWRLXAZEXLB-OIRASMEMSA-N	1	1	365.524	2.137	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[S@@](=O)C1	ZINC000277439689	550670897	/nfs/dbraw/zinc/67/08/97/550670897.db2.gz	LGIOWRLXAZEXLB-OIRASMEMSA-N	1	1	365.524	2.137	20	30		FEEDMO
CC[C@H]1C(=O)N(CC)CC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000495193739	561483918	/nfs/dbraw/zinc/48/39/18/561483918.db2.gz	KOSWJVHFZDZQDI-INIZCTEOSA-N	1	1	362.861	2.483	20	30		FEEDMO
CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000495193739	561483919	/nfs/dbraw/zinc/48/39/19/561483919.db2.gz	KOSWJVHFZDZQDI-INIZCTEOSA-N	1	1	362.861	2.483	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)C2=O)cc1	ZINC000279640130	550911443	/nfs/dbraw/zinc/91/14/43/550911443.db2.gz	ZXXILSBLLULIBW-HRCADAONSA-N	1	1	367.371	2.441	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)C2=O)cc1	ZINC000279640130	550911445	/nfs/dbraw/zinc/91/14/45/550911445.db2.gz	ZXXILSBLLULIBW-HRCADAONSA-N	1	1	367.371	2.441	20	30		FEEDMO
CC1(C)C[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1	ZINC000280318415	550980308	/nfs/dbraw/zinc/98/03/08/550980308.db2.gz	GXDGAVDCUNFPTG-NQIIRXRSSA-N	1	1	369.465	2.324	20	30		FEEDMO
CC1(C)C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1	ZINC000280318415	550980310	/nfs/dbraw/zinc/98/03/10/550980310.db2.gz	GXDGAVDCUNFPTG-NQIIRXRSSA-N	1	1	369.465	2.324	20	30		FEEDMO
C[C@@H]1OCC[C@]12C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCO2	ZINC000280472341	550997781	/nfs/dbraw/zinc/99/77/81/550997781.db2.gz	PBGGSHIVOHACER-UGSOOPFHSA-N	1	1	363.845	2.420	20	30		FEEDMO
C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1ccc(Br)cn1	ZINC000280497715	551000561	/nfs/dbraw/zinc/00/05/61/551000561.db2.gz	MRWSILLVBWQKDD-MEBBXXQBSA-N	1	1	351.248	2.303	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1	ZINC000280611410	551013146	/nfs/dbraw/zinc/01/31/46/551013146.db2.gz	QLAZSBXQAMLHKN-HNNXBMFYSA-N	1	1	352.438	2.400	20	30		FEEDMO
Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@](C)(C(N)=O)C2)c1	ZINC000280714092	551024272	/nfs/dbraw/zinc/02/42/72/551024272.db2.gz	JNDPKVJDJJWMTB-OXQOHEQNSA-N	1	1	356.470	2.136	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H]1C	ZINC000280814054	551035055	/nfs/dbraw/zinc/03/50/55/551035055.db2.gz	UDAOFRHBNCGJMR-CKEIUWERSA-N	1	1	361.417	2.202	20	30		FEEDMO
N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1	ZINC000281003892	551053944	/nfs/dbraw/zinc/05/39/44/551053944.db2.gz	ODGYRBGVRJAAEW-IBGZPJMESA-N	1	1	368.481	2.201	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)CCOc2ccc3c(C)cc(=O)oc3c2)C1=O	ZINC000281180151	551071234	/nfs/dbraw/zinc/07/12/34/551071234.db2.gz	AWYTWYPEGIITOM-QGZVFWFLSA-N	1	1	356.422	2.199	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)Oc2cc(/C=C/C(=O)OC)ccc2OC)CC1	ZINC000281206007	551074010	/nfs/dbraw/zinc/07/40/10/551074010.db2.gz	NHZGUPJVGSOQBP-SOFGYWHQSA-N	1	1	357.406	2.132	20	30		FEEDMO
C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1	ZINC000281212798	551074446	/nfs/dbraw/zinc/07/44/46/551074446.db2.gz	DHPSDFTVNKAPHV-VQTJNVASSA-N	1	1	357.498	2.145	20	30		FEEDMO
CCOC(=O)[C@]1(COC)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1	ZINC000281362311	551088428	/nfs/dbraw/zinc/08/84/28/551088428.db2.gz	LHIBUSAEJTVMDZ-HXUWFJFHSA-N	1	1	373.453	2.179	20	30		FEEDMO
C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1	ZINC000281489845	551103929	/nfs/dbraw/zinc/10/39/29/551103929.db2.gz	PVVIRKLQKGVLBD-RDJZCZTQSA-N	1	1	359.470	2.489	20	30		FEEDMO
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](C)CCCO)cc1	ZINC000281609265	551119842	/nfs/dbraw/zinc/11/98/42/551119842.db2.gz	GTGFUVYYCQIQSM-UHFFFAOYSA-N	1	1	370.453	2.227	20	30		FEEDMO
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](C)CCCO)cc1	ZINC000281609265	551119843	/nfs/dbraw/zinc/11/98/43/551119843.db2.gz	GTGFUVYYCQIQSM-UHFFFAOYSA-N	1	1	370.453	2.227	20	30		FEEDMO
C=CCSCCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1	ZINC000281624474	551122019	/nfs/dbraw/zinc/12/20/19/551122019.db2.gz	FFIUKDPRDINPHK-UHFFFAOYSA-N	1	1	355.891	2.376	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)[C@@H](CO)c2cccc(Br)c2)C1=O	ZINC000282130443	551184578	/nfs/dbraw/zinc/18/45/78/551184578.db2.gz	YQVNDQAGMHYQFC-GJZGRUSLSA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)[C@@H](CO)c2cccc(Br)c2)C1=O	ZINC000282130443	551184580	/nfs/dbraw/zinc/18/45/80/551184580.db2.gz	YQVNDQAGMHYQFC-GJZGRUSLSA-N	1	1	353.260	2.201	20	30		FEEDMO
COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1	ZINC000282570205	551247361	/nfs/dbraw/zinc/24/73/61/551247361.db2.gz	AZZRSDPWLMFHPG-ZDUSSCGKSA-N	1	1	372.347	2.299	20	30		FEEDMO
C[C@H](CC#N)N(C)S(=O)(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000283073481	551307436	/nfs/dbraw/zinc/30/74/36/551307436.db2.gz	UYIGODBTOMOTSZ-SJLPKXTDSA-N	1	1	364.515	2.062	20	30		FEEDMO
C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c(F)c1	ZINC000283086324	551309315	/nfs/dbraw/zinc/30/93/15/551309315.db2.gz	YOSUACGRMOEXCJ-QWHCGFSZSA-N	1	1	363.408	2.121	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc(C#N)ccn3)c2)CCO1	ZINC000283202638	551328333	/nfs/dbraw/zinc/32/83/33/551328333.db2.gz	ZOSXVXXBAFZBGF-HNNXBMFYSA-N	1	1	350.422	2.104	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc(C#N)ccn3)c2)CCO1	ZINC000283202638	551328335	/nfs/dbraw/zinc/32/83/35/551328335.db2.gz	ZOSXVXXBAFZBGF-HNNXBMFYSA-N	1	1	350.422	2.104	20	30		FEEDMO
C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000283560537	551387824	/nfs/dbraw/zinc/38/78/24/551387824.db2.gz	IWCNIQNOAYMILU-KRWDZBQOSA-N	1	1	368.485	2.075	20	30		FEEDMO
Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccc(C#N)cc1	ZINC000283761929	551423381	/nfs/dbraw/zinc/42/33/81/551423381.db2.gz	NCMOPLCHOAXJNP-QYZOEREBSA-N	1	1	364.449	2.352	20	30		FEEDMO
CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000284117407	551486946	/nfs/dbraw/zinc/48/69/46/551486946.db2.gz	CPUOVDRCZGVCTH-OALUTQOASA-N	1	1	368.481	2.040	20	30		FEEDMO
Cn1c(CC#N)nnc1SC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000284218756	551506811	/nfs/dbraw/zinc/50/68/11/551506811.db2.gz	MINFZWQWOVAOSM-MRXNPFEDSA-N	1	1	357.483	2.264	20	30		FEEDMO
C=CCSc1ccccc1NC(=O)CN1CCC[C@H](c2n[nH]c(=O)o2)C1	ZINC000284360781	551532368	/nfs/dbraw/zinc/53/23/68/551532368.db2.gz	SUNDNZFPASKUKL-ZDUSSCGKSA-N	1	1	374.466	2.459	20	30		FEEDMO
C=CCN(Cc1ccccc1)C(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C	ZINC000284411528	551543617	/nfs/dbraw/zinc/54/36/17/551543617.db2.gz	NQCDGZFLWVTSGY-KRWDZBQOSA-N	1	1	355.438	2.213	20	30		FEEDMO
C[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1	ZINC000284776077	551630498	/nfs/dbraw/zinc/63/04/98/551630498.db2.gz	HPSXXHBAZQTCTM-HUUCEWRRSA-N	1	1	362.499	2.469	20	30		FEEDMO
COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O	ZINC000284942602	551672852	/nfs/dbraw/zinc/67/28/52/551672852.db2.gz	VUVJSCKNYAFZOR-XSYGEPLQSA-N	1	1	358.438	2.024	20	30		FEEDMO
COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O	ZINC000284942602	551672853	/nfs/dbraw/zinc/67/28/53/551672853.db2.gz	VUVJSCKNYAFZOR-XSYGEPLQSA-N	1	1	358.438	2.024	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000285365036	551744305	/nfs/dbraw/zinc/74/43/05/551744305.db2.gz	QNPNEFNCCXQJLQ-FQEVSTJZSA-N	1	1	352.438	2.340	20	30		FEEDMO
Cn1cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000285365036	551744308	/nfs/dbraw/zinc/74/43/08/551744308.db2.gz	QNPNEFNCCXQJLQ-FQEVSTJZSA-N	1	1	352.438	2.340	20	30		FEEDMO
N#Cc1ccc(N2CCC([NH2+]C3CCN([C@H]4CCC[C@H]4O)CC3)CC2)cc1	ZINC000286096602	551848272	/nfs/dbraw/zinc/84/82/72/551848272.db2.gz	MIQLYVFKMZVUBN-FCHUYYIVSA-N	1	1	368.525	2.494	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1	ZINC000286728636	551919543	/nfs/dbraw/zinc/91/95/43/551919543.db2.gz	BLSHADSGAFUTFV-UKRRQHHQSA-N	1	1	374.872	2.483	20	30		FEEDMO
N#Cc1ccc(Cl)c(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1	ZINC000286813029	551928702	/nfs/dbraw/zinc/92/87/02/551928702.db2.gz	SANTVRWJWVPWAN-QGZVFWFLSA-N	1	1	369.852	2.361	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1	ZINC000286879381	551936040	/nfs/dbraw/zinc/93/60/40/551936040.db2.gz	MTVJUWTWOFDQCQ-CYBMUJFWSA-N	1	1	365.480	2.403	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1Cl	ZINC000287597729	552023443	/nfs/dbraw/zinc/02/34/43/552023443.db2.gz	YOLXMCXGPNGREU-CQSZACIVSA-N	1	1	360.845	2.094	20	30		FEEDMO
N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1Cl	ZINC000287597729	552023445	/nfs/dbraw/zinc/02/34/45/552023445.db2.gz	YOLXMCXGPNGREU-CQSZACIVSA-N	1	1	360.845	2.094	20	30		FEEDMO
N#CC1(C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1	ZINC000287604673	552024303	/nfs/dbraw/zinc/02/43/03/552024303.db2.gz	YLMPCBWGQPMEGM-IBGZPJMESA-N	1	1	352.482	2.099	20	30		FEEDMO
C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2ccc(C#N)o2)CC1	ZINC000287683746	552034182	/nfs/dbraw/zinc/03/41/82/552034182.db2.gz	DWNSYDDHIMTSGT-CYBMUJFWSA-N	1	1	360.439	2.050	20	30		FEEDMO
CN(C(=O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1)C1(C#N)CCCCC1	ZINC000287750533	552041981	/nfs/dbraw/zinc/04/19/81/552041981.db2.gz	LPMGBOZUBWSDSN-GOSISDBHSA-N	1	1	356.470	2.357	20	30		FEEDMO
CN(C(=O)C[N@H+]1CC[C@@H](OCc2ccncc2)C1)C1(C#N)CCCCC1	ZINC000287750533	552041982	/nfs/dbraw/zinc/04/19/82/552041982.db2.gz	LPMGBOZUBWSDSN-GOSISDBHSA-N	1	1	356.470	2.357	20	30		FEEDMO
CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1	ZINC000288082104	552087703	/nfs/dbraw/zinc/08/77/03/552087703.db2.gz	VWHMACJIMLVUQV-IAGOWNOFSA-N	1	1	358.461	2.324	20	30		FEEDMO
N#Cc1ccnc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c1	ZINC000288374718	552142937	/nfs/dbraw/zinc/14/29/37/552142937.db2.gz	JIOMVQUBUBIIPA-KRWDZBQOSA-N	1	1	352.463	2.301	20	30		FEEDMO
N#Cc1ccnc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c1	ZINC000288374718	552142940	/nfs/dbraw/zinc/14/29/40/552142940.db2.gz	JIOMVQUBUBIIPA-KRWDZBQOSA-N	1	1	352.463	2.301	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1	ZINC000289141485	552272440	/nfs/dbraw/zinc/27/24/40/552272440.db2.gz	KCRDNKDTHSDNBR-HKUYNNGSSA-N	1	1	359.495	2.337	20	30		FEEDMO
C#Cc1ccc(C[N@@H+]2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)cc1	ZINC000289214507	552283791	/nfs/dbraw/zinc/28/37/91/552283791.db2.gz	IVLSZZHGVJEDLL-MRXNPFEDSA-N	1	1	354.454	2.466	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(c3cccc(F)c3C#N)CC1)C2	ZINC000289467140	552326170	/nfs/dbraw/zinc/32/61/70/552326170.db2.gz	HBXCHJUBYPRCCX-HNNXBMFYSA-N	1	1	367.428	2.114	20	30		FEEDMO
CC[N@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCOC(C)(C)C1	ZINC000289995980	552411459	/nfs/dbraw/zinc/41/14/59/552411459.db2.gz	YQLHJERNAGPLEK-OAHLLOKOSA-N	1	1	351.472	2.006	20	30		FEEDMO
CC[N@@H+](CCS(=O)(=O)c1ccc(C#N)cn1)[C@@H]1CCOC(C)(C)C1	ZINC000289995980	552411462	/nfs/dbraw/zinc/41/14/62/552411462.db2.gz	YQLHJERNAGPLEK-OAHLLOKOSA-N	1	1	351.472	2.006	20	30		FEEDMO
C[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(F)c1)[N@@H+](C)Cc1ccccc1	ZINC000290232819	552446055	/nfs/dbraw/zinc/44/60/55/552446055.db2.gz	LCAVDJPEFVACKK-CQSZACIVSA-N	1	1	368.412	2.273	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)CCCOCc2ccccc2)CC1	ZINC000290715642	552524972	/nfs/dbraw/zinc/52/49/72/552524972.db2.gz	JWSJEKHFMOJPHR-UHFFFAOYSA-N	1	1	352.500	2.163	20	30		FEEDMO
C=C(C)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C	ZINC000290888726	552556453	/nfs/dbraw/zinc/55/64/53/552556453.db2.gz	BLSWXMDDWHCPHR-WBVHZDCISA-N	1	1	357.506	2.421	20	30		FEEDMO
N#C[C@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCO1	ZINC000291194638	552598534	/nfs/dbraw/zinc/59/85/34/552598534.db2.gz	JTHDFNXIKSMWJD-MOPGFXCFSA-N	1	1	356.470	2.223	20	30		FEEDMO
CON(C)C(=O)C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1	ZINC000291626678	552644885	/nfs/dbraw/zinc/64/48/85/552644885.db2.gz	DAOMNLJXLSWTEL-MRXNPFEDSA-N	1	1	372.469	2.054	20	30		FEEDMO
C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292158042	552699385	/nfs/dbraw/zinc/69/93/85/552699385.db2.gz	KRGRLWLBINJWKL-GDBMZVCRSA-N	1	1	370.478	2.215	20	30		FEEDMO
C[C@H](C(=O)NCCc1cccs1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1	ZINC000292158042	552699386	/nfs/dbraw/zinc/69/93/86/552699386.db2.gz	KRGRLWLBINJWKL-GDBMZVCRSA-N	1	1	370.478	2.215	20	30		FEEDMO
C[N@@H+](C[C@@H](O)Cc1ccccc1)[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000293486246	552828811	/nfs/dbraw/zinc/82/88/11/552828811.db2.gz	YMSMJLVVMGWUSU-DLBZAZTESA-N	1	1	355.463	2.260	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1	ZINC000294015560	552875381	/nfs/dbraw/zinc/87/53/81/552875381.db2.gz	PZUDXDSJIDELFW-UHFFFAOYSA-N	1	1	354.454	2.116	20	30		FEEDMO
CO[C@@H](Cc1ccccc1)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000296723363	553203211	/nfs/dbraw/zinc/20/32/11/553203211.db2.gz	HRTTTXJJKQZFDU-AEFFLSMTSA-N	1	1	351.454	2.116	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(Br)cn1	ZINC000296943530	553232877	/nfs/dbraw/zinc/23/28/77/553232877.db2.gz	PJAWOWNBARELDM-LBPRGKRZSA-N	1	1	353.264	2.159	20	30		FEEDMO
CC(C)(C#N)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1	ZINC000298590386	553445499	/nfs/dbraw/zinc/44/54/99/553445499.db2.gz	IHNIVTKBUVGBLZ-SJORKVTESA-N	1	1	354.454	2.169	20	30		FEEDMO
N#C[C@@H](C(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1)c1nc2ccccc2c(=O)[nH]1	ZINC000298766818	553470196	/nfs/dbraw/zinc/47/01/96/553470196.db2.gz	RRAUJOHEVAWJHL-BBRMVZONSA-N	1	1	366.421	2.013	20	30		FEEDMO
N#C[C@@H](C(=O)C[N@@H+](C[C@@H]1CCOC1)C1CC1)c1nc2ccccc2c(=O)[nH]1	ZINC000298766818	553470199	/nfs/dbraw/zinc/47/01/99/553470199.db2.gz	RRAUJOHEVAWJHL-BBRMVZONSA-N	1	1	366.421	2.013	20	30		FEEDMO
CS(=O)(=O)C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)c1ccccc1	ZINC000298877084	553484013	/nfs/dbraw/zinc/48/40/13/553484013.db2.gz	JXEIMRXQSVPOSN-GOSISDBHSA-N	1	1	371.462	2.262	20	30		FEEDMO
CC[N@@H+](CC(=O)NC1CCN(C(C)=O)CC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000299115133	553517344	/nfs/dbraw/zinc/51/73/44/553517344.db2.gz	ZWLOUPQTQBJQHL-HNNXBMFYSA-N	1	1	356.470	2.068	20	30		FEEDMO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1	ZINC000504338695	561656540	/nfs/dbraw/zinc/65/65/40/561656540.db2.gz	NJKOFLJHOOBCMN-HZPDHXFCSA-N	1	1	371.460	2.156	20	30		FEEDMO
CCN1CC[NH+]([C@H](C)CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000301520639	553657427	/nfs/dbraw/zinc/65/74/27/553657427.db2.gz	LDPJNWLVMBLSKZ-CQSZACIVSA-N	1	1	368.441	2.453	20	30		FEEDMO
C=C(C)C[NH+]1CCC(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1	ZINC000301902582	553690442	/nfs/dbraw/zinc/69/04/42/553690442.db2.gz	WNSZEQRHRDTLIT-UHFFFAOYSA-N	1	1	353.444	2.451	20	30		FEEDMO
C[NH+]1CCN(C(=O)CCNC(=O)N2CCCC[C@H]2Cc2ccccc2)CC1	ZINC000328694419	553808239	/nfs/dbraw/zinc/80/82/39/553808239.db2.gz	JZHTVXWJHBMVLY-IBGZPJMESA-N	1	1	372.513	2.162	20	30		FEEDMO
CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)C1	ZINC000328721842	553812120	/nfs/dbraw/zinc/81/21/20/553812120.db2.gz	RNMVVQOQIHISRL-AEFFLSMTSA-N	1	1	364.534	2.403	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2	ZINC000328760763	553818319	/nfs/dbraw/zinc/81/83/19/553818319.db2.gz	XSLONVNNDHBRAF-GDBMZVCRSA-N	1	1	364.490	2.127	20	30		FEEDMO
C[N@@H+](CC(=O)N1CCCN(c2ccccc2C#N)CC1)[C@H]1CCSC1	ZINC000328795570	553823588	/nfs/dbraw/zinc/82/35/88/553823588.db2.gz	CKEFWFMLOOCFFI-KRWDZBQOSA-N	1	1	358.511	2.034	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc3c(c2)OCC(=O)N3)C1	ZINC000328837310	553830798	/nfs/dbraw/zinc/83/07/98/553830798.db2.gz	NFRJOCWBAGHLJZ-CQSZACIVSA-N	1	1	362.430	2.350	20	30		FEEDMO
Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)C[N@@H+](C)[C@H]1CCSC1	ZINC000328842223	553831434	/nfs/dbraw/zinc/83/14/34/553831434.db2.gz	VTPGTDJJLMYEHT-LBPRGKRZSA-N	1	1	363.487	2.185	20	30		FEEDMO
Cn1cc[nH+]c1N1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1	ZINC000328857284	553834083	/nfs/dbraw/zinc/83/40/83/553834083.db2.gz	XTEAZFUMJGAYJT-UHFFFAOYSA-N	1	1	357.502	2.467	20	30		FEEDMO
O=C(NC1CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1)c1ccsc1	ZINC000328914652	553843753	/nfs/dbraw/zinc/84/37/53/553843753.db2.gz	QIXNKUPRDVJBGG-ZDUSSCGKSA-N	1	1	356.513	2.342	20	30		FEEDMO
O=C(NCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)NC1CCCCC1	ZINC000328944666	553850352	/nfs/dbraw/zinc/85/03/52/553850352.db2.gz	UVKAXIGGYHIYDF-KRWDZBQOSA-N	1	1	366.506	2.423	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[NH+]1CCN(Cc2cscn2)CC1	ZINC000505923956	561685357	/nfs/dbraw/zinc/68/53/57/561685357.db2.gz	YZPDQKWSHLZQTH-UHFFFAOYSA-N	1	1	355.467	2.161	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@H]2CCCSC2)CCC[N@H+]1C	ZINC000328968396	553855759	/nfs/dbraw/zinc/85/57/59/553855759.db2.gz	AJZYDJYMUHZYLM-OFQRWUPVSA-N	1	1	351.520	2.202	20	30		FEEDMO
CC1=CC[N@@H+](CCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2ccccc2)CC1	ZINC000328993558	553860789	/nfs/dbraw/zinc/86/07/89/553860789.db2.gz	JALPSNCNDSUSIA-RBUKOAKNSA-N	1	1	357.454	2.193	20	30		FEEDMO
C[C@@H]1CN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)[C@@H](C)C[N@H+]1C	ZINC000329024039	553866580	/nfs/dbraw/zinc/86/65/80/553866580.db2.gz	URLGBEDCGFAVKJ-SJORKVTESA-N	1	1	372.513	2.404	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](c4nc(C5CC5)no4)C3)C2=O)cc1	ZINC000329072945	553875361	/nfs/dbraw/zinc/87/53/61/553875361.db2.gz	ZTOAFGLVHAXPQZ-DOTOQJQBSA-N	1	1	363.421	2.413	20	30		FEEDMO
N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H](c4nc(C5CC5)no4)C3)C2=O)cc1	ZINC000329072945	553875363	/nfs/dbraw/zinc/87/53/63/553875363.db2.gz	ZTOAFGLVHAXPQZ-DOTOQJQBSA-N	1	1	363.421	2.413	20	30		FEEDMO
CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1	ZINC000329074285	553875458	/nfs/dbraw/zinc/87/54/58/553875458.db2.gz	BIZZLNFRYDDFMD-OAGGEKHMSA-N	1	1	365.522	2.103	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)C2=O)cc1	ZINC000329072948	553875522	/nfs/dbraw/zinc/87/55/22/553875522.db2.gz	ZTOAFGLVHAXPQZ-WBVHZDCISA-N	1	1	363.421	2.413	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)C2=O)cc1	ZINC000329072948	553875523	/nfs/dbraw/zinc/87/55/23/553875523.db2.gz	ZTOAFGLVHAXPQZ-WBVHZDCISA-N	1	1	363.421	2.413	20	30		FEEDMO
O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000329093340	553879159	/nfs/dbraw/zinc/87/91/59/553879159.db2.gz	ANFSSOFRUNNUHK-QWFCFKBJSA-N	1	1	359.470	2.103	20	30		FEEDMO
C[C@@H]1C[C@H](CNC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1	ZINC000329105298	553881382	/nfs/dbraw/zinc/88/13/82/553881382.db2.gz	GZQAETCQDOEZBV-UYTYNIKBSA-N	1	1	353.507	2.289	20	30		FEEDMO
C[C@@H]1C[C@H](CNC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1	ZINC000329105298	553881385	/nfs/dbraw/zinc/88/13/85/553881385.db2.gz	GZQAETCQDOEZBV-UYTYNIKBSA-N	1	1	353.507	2.289	20	30		FEEDMO
C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)[C@H]1c1ccccc1	ZINC000329107716	553881711	/nfs/dbraw/zinc/88/17/11/553881711.db2.gz	DZJCNSKPVDYGCS-AJYBTWMASA-N	1	1	359.470	2.274	20	30		FEEDMO
CCS(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1	ZINC000329116388	553883160	/nfs/dbraw/zinc/88/31/60/553883160.db2.gz	IOMSEKSPJHDRSZ-HOTGVXAUSA-N	1	1	359.536	2.125	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1	ZINC000329122274	553884014	/nfs/dbraw/zinc/88/40/14/553884014.db2.gz	QYUNQXLCGDFGPP-CJNGLKHVSA-N	1	1	356.430	2.425	20	30		FEEDMO
C[C@H](CNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1)[N@H+]1CCc2ccccc2C1	ZINC000329129133	553885415	/nfs/dbraw/zinc/88/54/15/553885415.db2.gz	VUROPDCMVVHUIT-OZOXKJRCSA-N	1	1	373.497	2.275	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cnn2c1[nH]c(=O)c1ccccc12	ZINC000329135160	553886942	/nfs/dbraw/zinc/88/69/42/553886942.db2.gz	BZLDOQLHCWDRHW-CYBMUJFWSA-N	1	1	365.437	2.497	20	30		FEEDMO
O=C(N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1)[C@@H]1CCC[N@H+]1C1CCCC1	ZINC000329172921	553895080	/nfs/dbraw/zinc/89/50/80/553895080.db2.gz	AJUUFVMXRAWDGC-HFTRVMKXSA-N	1	1	370.515	2.086	20	30		FEEDMO
CN1CC[C@H](N2CCC(NC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)C1=O	ZINC000329200689	553901044	/nfs/dbraw/zinc/90/10/44/553901044.db2.gz	WJFBPCDLNGUUES-MSOLQXFVSA-N	1	1	362.518	2.045	20	30		FEEDMO
CN1CC[C@H](N2CCC(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)CC2)C1=O	ZINC000329200689	553901046	/nfs/dbraw/zinc/90/10/46/553901046.db2.gz	WJFBPCDLNGUUES-MSOLQXFVSA-N	1	1	362.518	2.045	20	30		FEEDMO
C[C@@H]1CCCC[N@@H+]1CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C	ZINC000329218397	553905029	/nfs/dbraw/zinc/90/50/29/553905029.db2.gz	RRZDBGRYLUJIQM-CSNJMZFVSA-N	1	1	364.534	2.291	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C	ZINC000329218397	553905030	/nfs/dbraw/zinc/90/50/30/553905030.db2.gz	RRZDBGRYLUJIQM-CSNJMZFVSA-N	1	1	364.534	2.291	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000329225995	553906633	/nfs/dbraw/zinc/90/66/33/553906633.db2.gz	HBSNFADYPJWKHF-KZNAEPCWSA-N	1	1	365.518	2.483	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(N2CCCS2(=O)=O)c1	ZINC000329242124	553909434	/nfs/dbraw/zinc/90/94/34/553909434.db2.gz	SEDLXOOMOSTASG-KRWDZBQOSA-N	1	1	365.499	2.406	20	30		FEEDMO
CC[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCO1	ZINC000329242166	553909524	/nfs/dbraw/zinc/90/95/24/553909524.db2.gz	SEOVUONCZIXJPC-KRWDZBQOSA-N	1	1	353.507	2.436	20	30		FEEDMO
C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)C2)C1	ZINC000329250027	553910709	/nfs/dbraw/zinc/91/07/09/553910709.db2.gz	XJIQXMBKVOJABN-UZLBHIALSA-N	1	1	362.518	2.109	20	30		FEEDMO
C[C@H](NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O)C1=CC[N@@H+](C)CC1	ZINC000329250492	553911148	/nfs/dbraw/zinc/91/11/48/553911148.db2.gz	BAQBNUNRUPCPPT-WPKBUWHJSA-N	1	1	363.462	2.048	20	30		FEEDMO
CC(=O)N1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1	ZINC000329297585	553920420	/nfs/dbraw/zinc/92/04/20/553920420.db2.gz	TYJXSYOVECIMKI-IBGZPJMESA-N	1	1	364.534	2.499	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CCCS(=O)(=O)C2)C1	ZINC000329311920	553923038	/nfs/dbraw/zinc/92/30/38/553923038.db2.gz	ZXPQWLGASGIESA-OWCLPIDISA-N	1	1	373.563	2.071	20	30		FEEDMO
C[C@@H]1C[C@H](C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CC(=O)N1	ZINC000329336375	553927385	/nfs/dbraw/zinc/92/73/85/553927385.db2.gz	LSWBAFYMUNIIQD-ZBFHGGJFSA-N	1	1	372.469	2.346	20	30		FEEDMO
CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCO1	ZINC000329360130	553932506	/nfs/dbraw/zinc/93/25/06/553932506.db2.gz	CBRNMVOUWOTPKE-WBVHZDCISA-N	1	1	374.485	2.307	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H](NC(=O)N1C[C@H]([NH+]3CCCC3)C[C@H]1C)CC2	ZINC000329389179	553937442	/nfs/dbraw/zinc/93/74/42/553937442.db2.gz	RRZLQLXPIQZLNF-BZUAXINKSA-N	1	1	360.506	2.189	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)[C@H]2C1	ZINC000329417029	553942462	/nfs/dbraw/zinc/94/24/62/553942462.db2.gz	FXVTYRFKVKLNFK-NUJGCVRESA-N	1	1	362.518	2.108	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)[C@H]2C1	ZINC000329423212	553943998	/nfs/dbraw/zinc/94/39/98/553943998.db2.gz	HSEWDRTZBIOOLE-QAPCUYQASA-N	1	1	356.470	2.494	20	30		FEEDMO
Cc1noc([C@@H]2CCCN2C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1	ZINC000329424716	553944327	/nfs/dbraw/zinc/94/43/27/553944327.db2.gz	GLBOOSSQOZTLFA-YDHLFZDLSA-N	1	1	365.478	2.317	20	30		FEEDMO
Cc1n[nH]c([C@@H]2CCCN(CC(=O)NC[C@H]3Cc4ccccc4O3)C2)n1	ZINC000329425806	553944764	/nfs/dbraw/zinc/94/47/64/553944764.db2.gz	GXCJHJLPBMVFQS-HZPDHXFCSA-N	1	1	355.442	2.253	20	30		FEEDMO
Cc1nnc([C@@H]2CCCN(CC(=O)NC[C@H]3Cc4ccccc4O3)C2)[nH]1	ZINC000329425806	553944766	/nfs/dbraw/zinc/94/47/66/553944766.db2.gz	GXCJHJLPBMVFQS-HZPDHXFCSA-N	1	1	355.442	2.253	20	30		FEEDMO
CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1	ZINC000329430502	553944957	/nfs/dbraw/zinc/94/49/57/553944957.db2.gz	HLZRAGPTKBNYST-FCGDIQPGSA-N	1	1	367.534	2.273	20	30		FEEDMO
NC(=O)c1ccc(NC(=O)CC[N@H+]2CCN3CCOC[C@H]3C2)cc1Cl	ZINC000329434095	553945770	/nfs/dbraw/zinc/94/57/70/553945770.db2.gz	LIELNFIEMVZEIK-CYBMUJFWSA-N	1	1	366.849	2.218	20	30		FEEDMO
O=C(N[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CC(=O)N(c2ccccc2Cl)C1	ZINC000329466335	553951873	/nfs/dbraw/zinc/95/18/73/553951873.db2.gz	RXRLQPJTJQXZAA-STQMWFEESA-N	1	1	362.861	2.186	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)C1	ZINC000329493692	553957357	/nfs/dbraw/zinc/95/73/57/553957357.db2.gz	WQCUGCCFNZNXEK-HIFRSBDPSA-N	1	1	351.413	2.412	20	30		FEEDMO
Cc1cnn([C@@H]2CCN(C(=O)NCC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1	ZINC000329537868	553964004	/nfs/dbraw/zinc/96/40/04/553964004.db2.gz	BUFWFPCZGTVANI-IXDOHACOSA-N	1	1	363.506	2.240	20	30		FEEDMO
Cc1cnn([C@@H]2CCN(C(=O)NCC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)c1	ZINC000329537868	553964006	/nfs/dbraw/zinc/96/40/06/553964006.db2.gz	BUFWFPCZGTVANI-IXDOHACOSA-N	1	1	363.506	2.240	20	30		FEEDMO
CCO[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@]12CCCO2	ZINC000329543239	553965211	/nfs/dbraw/zinc/96/52/11/553965211.db2.gz	YFCBTECTXGOXIN-IMBTUZDBSA-N	1	1	352.475	2.313	20	30		FEEDMO
Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCOCC2(CCOCC2)C1	ZINC000329566635	553968985	/nfs/dbraw/zinc/96/89/85/553968985.db2.gz	OVZSMYRHRSWLLT-HNNXBMFYSA-N	1	1	350.463	2.142	20	30		FEEDMO
Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCOCC2(CCOCC2)C1	ZINC000329566635	553968989	/nfs/dbraw/zinc/96/89/89/553968989.db2.gz	OVZSMYRHRSWLLT-HNNXBMFYSA-N	1	1	350.463	2.142	20	30		FEEDMO
Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CCCN(c3ccc(C)nn3)C1)C2	ZINC000329570773	553969562	/nfs/dbraw/zinc/96/95/62/553969562.db2.gz	MMFVUFBSVJVJCQ-HOTGVXAUSA-N	1	1	354.458	2.478	20	30		FEEDMO
Cn1c2ccc(CN3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2oc1=O	ZINC000506994130	561713419	/nfs/dbraw/zinc/71/34/19/561713419.db2.gz	CVGXBFJVLWXEFI-UHFFFAOYSA-N	1	1	362.433	2.321	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cc3c(cc2C)OCO3)C[C@H]1[NH+]1CCOCC1	ZINC000329712052	553993752	/nfs/dbraw/zinc/99/37/52/553993752.db2.gz	PLUUNWXMUAZXKF-GDBMZVCRSA-N	1	1	361.442	2.312	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2cccc3c2OCC(=O)N3)C[C@H]1[NH+]1CCOCC1	ZINC000329729640	553996753	/nfs/dbraw/zinc/99/67/53/553996753.db2.gz	CXRQDOHNXASCSY-CZUORRHYSA-N	1	1	374.441	2.255	20	30		FEEDMO
CCC1(CC)C[N@@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCS1	ZINC000329773803	554003569	/nfs/dbraw/zinc/00/35/69/554003569.db2.gz	LSDORRPASWIZAZ-KRWDZBQOSA-N	1	1	366.575	2.286	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)NC2CCN(C(=O)c3ccccc3)CC2)CC[N@H+]1C	ZINC000329778508	554003991	/nfs/dbraw/zinc/00/39/91/554003991.db2.gz	QDLGWSXFUOCOML-CRAIPNDOSA-N	1	1	358.486	2.278	20	30		FEEDMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCS(=O)(=O)C3(CCCCC3)C2)C1	ZINC000329789102	554006460	/nfs/dbraw/zinc/00/64/60/554006460.db2.gz	BSJQUCNIQVKUAB-CVEARBPZSA-N	1	1	371.547	2.062	20	30		FEEDMO
C[C@@H]1CC(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C[C@@H](C)O1	ZINC000329796543	554007418	/nfs/dbraw/zinc/00/74/18/554007418.db2.gz	DWRMVIKJMIMMNJ-ARFHVFGLSA-N	1	1	353.507	2.289	20	30		FEEDMO
O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000329800058	554007919	/nfs/dbraw/zinc/00/79/19/554007919.db2.gz	ILVIBSKSYPWKJA-GJZGRUSLSA-N	1	1	360.433	2.015	20	30		FEEDMO
O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000329800059	554008137	/nfs/dbraw/zinc/00/81/37/554008137.db2.gz	ILVIBSKSYPWKJA-LSDHHAIUSA-N	1	1	360.433	2.015	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)CC[N@H+]1C	ZINC000329803283	554008406	/nfs/dbraw/zinc/00/84/06/554008406.db2.gz	LCPRATNMPWPSOJ-AEFFLSMTSA-N	1	1	364.534	2.498	20	30		FEEDMO
Cc1nnc2n1C[C@@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C(C)C)CC2	ZINC000329802534	554008415	/nfs/dbraw/zinc/00/84/15/554008415.db2.gz	KLNJZIOMASNZAB-ZACQAIPSSA-N	1	1	360.506	2.010	20	30		FEEDMO
Cc1nnc2n1C[C@@H](C[NH+]=C([O-])N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C(C)C)CC2	ZINC000329802534	554008418	/nfs/dbraw/zinc/00/84/18/554008418.db2.gz	KLNJZIOMASNZAB-ZACQAIPSSA-N	1	1	360.506	2.010	20	30		FEEDMO
Cc1nnc2n1C[C@@H](C[NH+]=C([O-])N1CC[C@H]3CC[C@@H](C1)[N@H+]3C(C)C)CC2	ZINC000329802534	554008420	/nfs/dbraw/zinc/00/84/20/554008420.db2.gz	KLNJZIOMASNZAB-ZACQAIPSSA-N	1	1	360.506	2.010	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1	ZINC000329803893	554008527	/nfs/dbraw/zinc/00/85/27/554008527.db2.gz	JYOZFCRTZIKBNA-RDPOXOKHSA-N	1	1	373.497	2.349	20	30		FEEDMO
Cc1ccc(CC(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1	ZINC000329821909	554012244	/nfs/dbraw/zinc/01/22/44/554012244.db2.gz	YWKWIWBAYJRMNR-IEBWSBKVSA-N	1	1	372.513	2.078	20	30		FEEDMO
CCN1C(=O)CC[C@H](C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)[C@H]1c1cnn(C)c1	ZINC000329884550	554024659	/nfs/dbraw/zinc/02/46/59/554024659.db2.gz	SNZXBCQWAURDGP-CKNFYHOISA-N	1	1	373.501	2.159	20	30		FEEDMO
CC[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)[N@@H+]1CCc2ccccc2C1	ZINC000507426243	561729041	/nfs/dbraw/zinc/72/90/41/561729041.db2.gz	DHMLELPGERYNKO-SFHVURJKSA-N	1	1	370.478	2.068	20	30		FEEDMO
CC[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)[N@H+]1CCc2ccccc2C1	ZINC000507426243	561729043	/nfs/dbraw/zinc/72/90/43/561729043.db2.gz	DHMLELPGERYNKO-SFHVURJKSA-N	1	1	370.478	2.068	20	30		FEEDMO
C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@]2(CCOC2)O1	ZINC000330000252	554047307	/nfs/dbraw/zinc/04/73/07/554047307.db2.gz	WCUNXVXVKKPHFL-SLYNCCJLSA-N	1	1	373.497	2.302	20	30		FEEDMO
O=C(N[C@H]1CC[S@@](=O)C1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000330023902	554051265	/nfs/dbraw/zinc/05/12/65/554051265.db2.gz	JHMVIMRPAIKROM-CXCPJLFGSA-N	1	1	361.511	2.207	20	30		FEEDMO
C[C@@H](NC(=O)N1CCC(c2nnc3n2CCCC3)CC1)C1=CC[N@@H+](C)CC1	ZINC000330048634	554055129	/nfs/dbraw/zinc/05/51/29/554055129.db2.gz	ISMAEMUHZJHYOI-OAHLLOKOSA-N	1	1	372.517	2.358	20	30		FEEDMO
C[C@H]1N(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOC1(C)C	ZINC000330108705	554066163	/nfs/dbraw/zinc/06/61/63/554066163.db2.gz	NZEHIGFYGHFHAH-MRXNPFEDSA-N	1	1	353.507	2.435	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1Cc2ccccc2O1	ZINC000330239578	554091071	/nfs/dbraw/zinc/09/10/71/554091071.db2.gz	DVSHCYKCIREULM-QAPCUYQASA-N	1	1	359.470	2.089	20	30		FEEDMO
CC[C@@H]1CN(C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)C[C@@H]1[NH+]1CCOCC1	ZINC000330256164	554093841	/nfs/dbraw/zinc/09/38/41/554093841.db2.gz	KKGZMKQTMQGFIL-VSZNYVQBSA-N	1	1	353.507	2.004	20	30		FEEDMO
CC[C@@H]1CN(C(=O)Nc2ccc3nc(C)cn3c2)C[C@H]1[NH+]1CCOCC1	ZINC000330269825	554096370	/nfs/dbraw/zinc/09/63/70/554096370.db2.gz	SKWIEJZMNJVBLE-NVXWUHKLSA-N	1	1	357.458	2.231	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	ZINC000330325417	554105381	/nfs/dbraw/zinc/10/53/81/554105381.db2.gz	UPLINMHSFSGCKD-QGPMSJSTSA-N	1	1	351.491	2.043	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(Br)c1C#N	ZINC000330476665	554126046	/nfs/dbraw/zinc/12/60/46/554126046.db2.gz	LCLFUMVYRRFZKM-LLVKDONJSA-N	1	1	372.288	2.083	20	30		FEEDMO
C[C@H](CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCC[C@@H](C)C1	ZINC000330510804	554131695	/nfs/dbraw/zinc/13/16/95/554131695.db2.gz	DRAKMAHYIINQAI-HUUCEWRRSA-N	1	1	367.515	2.362	20	30		FEEDMO
C[N@@H+]1CC=C(CNC(=O)Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1	ZINC000330689606	554157735	/nfs/dbraw/zinc/15/77/35/554157735.db2.gz	PPYXGVDEFSUVGL-UHFFFAOYSA-N	1	1	372.878	2.299	20	30		FEEDMO
C[N@H+]1CC=C(C[NH+]=C([O-])Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1	ZINC000330689606	554157738	/nfs/dbraw/zinc/15/77/38/554157738.db2.gz	PPYXGVDEFSUVGL-UHFFFAOYSA-N	1	1	372.878	2.299	20	30		FEEDMO
C[N@@H+]1CC=C(C[NH+]=C([O-])Nc2ccc(NS(C)(=O)=O)c(Cl)c2)CC1	ZINC000330689606	554157743	/nfs/dbraw/zinc/15/77/43/554157743.db2.gz	PPYXGVDEFSUVGL-UHFFFAOYSA-N	1	1	372.878	2.299	20	30		FEEDMO
CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	ZINC000330707649	554160996	/nfs/dbraw/zinc/16/09/96/554160996.db2.gz	MGZVOBIMDTVYOR-HNNXBMFYSA-N	1	1	353.488	2.116	20	30		FEEDMO
CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1	ZINC000330833244	554176945	/nfs/dbraw/zinc/17/69/45/554176945.db2.gz	HMHDPNZLFUFOOX-MAZHCROVSA-N	1	1	351.422	2.416	20	30		FEEDMO
C[C@H](C[S@](C)=O)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000330847730	554178720	/nfs/dbraw/zinc/17/87/20/554178720.db2.gz	ORIIMCKPBHNZSO-AFMOOPCPSA-N	1	1	351.516	2.168	20	30		FEEDMO
CC(=O)c1ccc(NC(=O)N2CCC([N@@H+](C)CCO)CC2)cc1Cl	ZINC000330889497	554183675	/nfs/dbraw/zinc/18/36/75/554183675.db2.gz	BHKFHAOYWXZCQY-UHFFFAOYSA-N	1	1	353.850	2.477	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1	ZINC000330906997	554186517	/nfs/dbraw/zinc/18/65/17/554186517.db2.gz	CDBDFGZHVNOEEV-CHWSQXEVSA-N	1	1	355.479	2.257	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1	ZINC000330906997	554186518	/nfs/dbraw/zinc/18/65/18/554186518.db2.gz	CDBDFGZHVNOEEV-CHWSQXEVSA-N	1	1	355.479	2.257	20	30		FEEDMO
C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](CC(N)=O)C2)C[C@H](C)O1	ZINC000330967105	554194964	/nfs/dbraw/zinc/19/49/64/554194964.db2.gz	AFXLRGHFTPFTRM-QLFBSQMISA-N	1	1	354.495	2.426	20	30		FEEDMO
C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](CC(N)=O)C2)C[C@H](C)O1	ZINC000330967105	554194967	/nfs/dbraw/zinc/19/49/67/554194967.db2.gz	AFXLRGHFTPFTRM-QLFBSQMISA-N	1	1	354.495	2.426	20	30		FEEDMO
C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1	ZINC000508490214	561763655	/nfs/dbraw/zinc/76/36/55/561763655.db2.gz	PXVMGNNEZVXFHX-INIZCTEOSA-N	1	1	357.433	2.099	20	30		FEEDMO
C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1	ZINC000508490214	561763657	/nfs/dbraw/zinc/76/36/57/561763657.db2.gz	PXVMGNNEZVXFHX-INIZCTEOSA-N	1	1	357.433	2.099	20	30		FEEDMO
CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)NC(=O)Nc2cccc(C)c2C)CC1	ZINC000331146446	554221469	/nfs/dbraw/zinc/22/14/69/554221469.db2.gz	WCNFHCSPYYVXAU-HNNXBMFYSA-N	1	1	374.485	2.202	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1	ZINC000331175700	554225899	/nfs/dbraw/zinc/22/58/99/554225899.db2.gz	WXOCAOTWAADUES-KGLIPLIRSA-N	1	1	367.490	2.401	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1	ZINC000331175700	554225900	/nfs/dbraw/zinc/22/59/00/554225900.db2.gz	WXOCAOTWAADUES-KGLIPLIRSA-N	1	1	367.490	2.401	20	30		FEEDMO
C[C@@H]1CN(C(=O)NCCc2cc(F)c(F)c(F)c2)CC[N@H+]1CC(C)(C)O	ZINC000331215953	554232482	/nfs/dbraw/zinc/23/24/82/554232482.db2.gz	DIEFEGNMMWHFDB-GFCCVEGCSA-N	1	1	373.419	2.337	20	30		FEEDMO
CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C	ZINC000331238257	554234667	/nfs/dbraw/zinc/23/46/67/554234667.db2.gz	NMCYTJMLKMKKFL-ULQDDVLXSA-N	1	1	355.523	2.271	20	30		FEEDMO
Cc1nc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c(Br)s1	ZINC000331313710	554245828	/nfs/dbraw/zinc/24/58/28/554245828.db2.gz	CLQHFKNGCMZCIQ-SNVBAGLBSA-N	1	1	362.293	2.365	20	30		FEEDMO
C=CCn1c(CC2CC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1	ZINC000508843386	561774696	/nfs/dbraw/zinc/77/46/96/561774696.db2.gz	CEJXAHZHHVHWPI-HDICACEKSA-N	1	1	372.561	2.411	20	30		FEEDMO
C=CCn1c(-c2ccoc2)nnc1N1CCC([N@@H+]2CCO[C@H](C)C2)CC1	ZINC000508880220	561776530	/nfs/dbraw/zinc/77/65/30/561776530.db2.gz	KGDKMOTWVMLDBQ-OAHLLOKOSA-N	1	1	357.458	2.414	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)c1C#N	ZINC000509057680	561782977	/nfs/dbraw/zinc/78/29/77/561782977.db2.gz	SYRXPIMOFYECRQ-KZULUSFZSA-N	1	1	370.428	2.356	20	30		FEEDMO
Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1C#N	ZINC000509057680	561782978	/nfs/dbraw/zinc/78/29/78/561782978.db2.gz	SYRXPIMOFYECRQ-KZULUSFZSA-N	1	1	370.428	2.356	20	30		FEEDMO
CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C[C@H](C)O	ZINC000510077377	561824080	/nfs/dbraw/zinc/82/40/80/561824080.db2.gz	COZCNYMRQQIUDJ-ZDUSSCGKSA-N	1	1	358.442	2.259	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	ZINC000333199519	554587907	/nfs/dbraw/zinc/58/79/07/554587907.db2.gz	XGDJOSOAVZDEGH-LPHOPBHVSA-N	1	1	366.465	2.362	20	30		FEEDMO
COc1ccc([C@H](CNS(=O)(=O)[C@H](C)C#N)[NH+]2CCCCC2)cc1	ZINC000510778704	561846221	/nfs/dbraw/zinc/84/62/21/561846221.db2.gz	OKAMUNNNJAFNOJ-PBHICJAKSA-N	1	1	351.472	2.054	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000333515856	554620160	/nfs/dbraw/zinc/62/01/60/554620160.db2.gz	YNWRLWNTHNRTSK-QTMHVTGLSA-N	1	1	365.518	2.251	20	30		FEEDMO
C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1	ZINC000510922653	561851026	/nfs/dbraw/zinc/85/10/26/561851026.db2.gz	UDFYUJAHBJVQDN-AWEZNQCLSA-N	1	1	363.424	2.192	20	30		FEEDMO
C=CCOC[C@H]1NC(=O)N(C[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1=O	ZINC000348391853	554683815	/nfs/dbraw/zinc/68/38/15/554683815.db2.gz	RBHBICAESHCREQ-XLIONFOSSA-N	1	1	357.454	2.164	20	30		FEEDMO
CC[NH+]1CCN(C(=O)Cc2noc(C[C@@H](CC#N)c3ccccc3)n2)CC1	ZINC000350198875	554766846	/nfs/dbraw/zinc/76/68/46/554766846.db2.gz	CPZXMAVXDMXYKJ-QGZVFWFLSA-N	1	1	367.453	2.016	20	30		FEEDMO
C=CCNC(=O)Cc1noc([C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1	ZINC000350527321	554795377	/nfs/dbraw/zinc/79/53/77/554795377.db2.gz	OLIXOQATUWPBOT-GHMZBOCLSA-N	1	1	360.380	2.291	20	30		FEEDMO
Cn1cc([C@H]2[C@H](CNC(=O)c3ccc(CC#N)cc3)CCC[N@H+]2C)cn1	ZINC000362167623	554954213	/nfs/dbraw/zinc/95/42/13/554954213.db2.gz	WEPKHVNBACXNHX-PKOBYXMFSA-N	1	1	351.454	2.299	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccccn2)CC1	ZINC000363004970	555007865	/nfs/dbraw/zinc/00/78/65/555007865.db2.gz	PILUXXZGDYFTGC-KRWDZBQOSA-N	1	1	358.486	2.043	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccccn2)CC1	ZINC000363004970	555007866	/nfs/dbraw/zinc/00/78/66/555007866.db2.gz	PILUXXZGDYFTGC-KRWDZBQOSA-N	1	1	358.486	2.043	20	30		FEEDMO
C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)N(CCC#N)CCC#N	ZINC000363135504	555038044	/nfs/dbraw/zinc/03/80/44/555038044.db2.gz	VQOJRXCOFNWNDB-LJQANCHMSA-N	1	1	367.497	2.239	20	30		FEEDMO
C=CCN(CC(=O)NCc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363184553	555048194	/nfs/dbraw/zinc/04/81/94/555048194.db2.gz	ATMMFNLMYSRARM-NRFANRHFSA-N	1	1	364.493	2.460	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1cnc2ccc(C#N)cn12	ZINC000363236020	555060847	/nfs/dbraw/zinc/06/08/47/555060847.db2.gz	IYQMEYVEJXOKOI-AYOQOUSVSA-N	1	1	353.470	2.185	20	30		FEEDMO
C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12	ZINC000363236020	555060848	/nfs/dbraw/zinc/06/08/48/555060848.db2.gz	IYQMEYVEJXOKOI-AYOQOUSVSA-N	1	1	353.470	2.185	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC000363336485	555080600	/nfs/dbraw/zinc/08/06/00/555080600.db2.gz	FTRDEGXKJFBOPD-CQSZACIVSA-N	1	1	373.400	2.436	20	30		FEEDMO
C=CCNC(=O)c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)nc1	ZINC000363584800	555141868	/nfs/dbraw/zinc/14/18/68/555141868.db2.gz	CMMVXQHXPMUREO-RYQLBKOJSA-N	1	1	358.486	2.299	20	30		FEEDMO
C=CCNC(=O)c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)nc1	ZINC000363584798	555141908	/nfs/dbraw/zinc/14/19/08/555141908.db2.gz	CMMVXQHXPMUREO-CGTJXYLNSA-N	1	1	358.486	2.299	20	30		FEEDMO
C=CCN(C[C@@H](C)CS(C)(=O)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000363946229	555219490	/nfs/dbraw/zinc/21/94/90/555219490.db2.gz	BZPQQWBUKPUWKK-IEBWSBKVSA-N	1	1	350.528	2.430	20	30		FEEDMO
C=CCN(C[C@@H](C)CS(C)(=O)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000363946229	555219493	/nfs/dbraw/zinc/21/94/93/555219493.db2.gz	BZPQQWBUKPUWKK-IEBWSBKVSA-N	1	1	350.528	2.430	20	30		FEEDMO
C#CCN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C1CCCC1	ZINC000363956748	555221506	/nfs/dbraw/zinc/22/15/06/555221506.db2.gz	CUPROMHRCATXHB-QFBILLFUSA-N	1	1	357.502	2.390	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCc1nc(-c2ccccc2)no1	ZINC000512213397	561896223	/nfs/dbraw/zinc/89/62/23/561896223.db2.gz	OCYDJFRQLFTOLE-CQSZACIVSA-N	1	1	353.426	2.162	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCc1nc(-c2ccccc2)no1	ZINC000512213397	561896225	/nfs/dbraw/zinc/89/62/25/561896225.db2.gz	OCYDJFRQLFTOLE-CQSZACIVSA-N	1	1	353.426	2.162	20	30		FEEDMO
C#CCOc1ccccc1NC(=O)N1CCC[N@H+](C2CCOCC2)CC1	ZINC000364322492	555291202	/nfs/dbraw/zinc/29/12/02/555291202.db2.gz	FNSOIEJGLYEDOH-UHFFFAOYSA-N	1	1	357.454	2.417	20	30		FEEDMO
N#Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)ccc1Cl	ZINC000365543265	555604299	/nfs/dbraw/zinc/60/42/99/555604299.db2.gz	BNMNGHXMYPZUSO-LXZKKBNFSA-N	1	1	372.856	2.093	20	30		FEEDMO
CCN1C(=O)N=NC1C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1	ZINC000366149251	555765452	/nfs/dbraw/zinc/76/54/52/555765452.db2.gz	WERDCKDPDRUILW-ZDUSSCGKSA-N	1	1	368.441	2.082	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000366427514	555840639	/nfs/dbraw/zinc/84/06/39/555840639.db2.gz	CNWRDSZPYRKEPS-HNNXBMFYSA-N	1	1	367.434	2.368	20	30		FEEDMO
N#Cc1cc([N+](=O)[O-])ccc1NCCCN1CCN(c2cc[nH+]cc2)CC1	ZINC000514213502	561964010	/nfs/dbraw/zinc/96/40/10/561964010.db2.gz	GXTBHRDISQGHMP-UHFFFAOYSA-N	1	1	366.425	2.486	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+](C)[C@H](c1ccc(F)cc1)c1cnccn1	ZINC000367497486	556067117	/nfs/dbraw/zinc/06/71/17/556067117.db2.gz	WQVRGSVWOPAMEK-LJQANCHMSA-N	1	1	355.417	2.399	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](C)[C@H](c1ccc(F)cc1)c1cnccn1	ZINC000367497486	556067119	/nfs/dbraw/zinc/06/71/19/556067119.db2.gz	WQVRGSVWOPAMEK-LJQANCHMSA-N	1	1	355.417	2.399	20	30		FEEDMO
C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1cccc(-c2cnn(C)c2)c1	ZINC000367546791	556079857	/nfs/dbraw/zinc/07/98/57/556079857.db2.gz	MZBQVYYURMZVSD-INIZCTEOSA-N	1	1	373.464	2.459	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1	ZINC000367583437	556089017	/nfs/dbraw/zinc/08/90/17/556089017.db2.gz	DEGOAZBEYPIDBL-DOMZBBRYSA-N	1	1	350.381	2.227	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1	ZINC000367583437	556089018	/nfs/dbraw/zinc/08/90/18/556089018.db2.gz	DEGOAZBEYPIDBL-DOMZBBRYSA-N	1	1	350.381	2.227	20	30		FEEDMO
N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCc4nc[nH]c4C3)CC2)c(F)c1	ZINC000367608038	556096103	/nfs/dbraw/zinc/09/61/03/556096103.db2.gz	PWUDUOLDQRNGPK-OAHLLOKOSA-N	1	1	367.428	2.311	20	30		FEEDMO
C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCC(C)(C)C#N)C[C@H]2[C@@H]1c1ccccc1	ZINC000367708602	556120064	/nfs/dbraw/zinc/12/00/64/556120064.db2.gz	VFRYSNKGNLUDBW-KURKYZTESA-N	1	1	361.511	2.491	20	30		FEEDMO
Cc1cc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](CC(N)=O)C2)ccc1Cl	ZINC000367982843	556187000	/nfs/dbraw/zinc/18/70/00/556187000.db2.gz	LSRVWXKCARIWJE-CQSZACIVSA-N	1	1	362.861	2.092	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1	ZINC000368081491	556213465	/nfs/dbraw/zinc/21/34/65/556213465.db2.gz	BWTMJDCNOQTJSE-UHFFFAOYSA-N	1	1	360.389	2.158	20	30		FEEDMO
COc1ccc(C#N)cc1CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1	ZINC000368223372	556252249	/nfs/dbraw/zinc/25/22/49/556252249.db2.gz	UJFPTLLREYTSOZ-UHFFFAOYSA-N	1	1	356.514	2.416	20	30		FEEDMO
C[NH+](C)[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1	ZINC000368923374	556449083	/nfs/dbraw/zinc/44/90/83/556449083.db2.gz	RHDNSOGQQDNEEU-HXUWFJFHSA-N	1	1	363.465	2.341	20	30		FEEDMO
CCCN1CC[NH+](C2CCN(C(=O)c3cccc(CC#N)c3)CC2)CC1	ZINC000369152815	556517921	/nfs/dbraw/zinc/51/79/21/556517921.db2.gz	ALUYMFSRBUCGME-UHFFFAOYSA-N	1	1	354.498	2.385	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1	ZINC000369179546	556527400	/nfs/dbraw/zinc/52/74/00/556527400.db2.gz	SXCREYVYZCJENQ-SWLSCSKDSA-N	1	1	351.497	2.257	20	30		FEEDMO
CN(C(=O)[C@H]1CC12CC[NH+](CC(=O)Nc1cccc(C#N)c1)CC2)C1CC1	ZINC000369501612	556612672	/nfs/dbraw/zinc/61/26/72/556612672.db2.gz	CNKRYSWUYHFXML-GOSISDBHSA-N	1	1	366.465	2.220	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C	ZINC000516306737	562039350	/nfs/dbraw/zinc/03/93/50/562039350.db2.gz	UNLCNXZCOITINF-HUUCEWRRSA-N	1	1	372.469	2.275	20	30		FEEDMO
C[C@H]1C[C@@H](N(C)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C	ZINC000369859240	556714072	/nfs/dbraw/zinc/71/40/72/556714072.db2.gz	AFIUAKXDZKPIJW-YJBOKZPZSA-N	1	1	370.501	2.046	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](C[C@H]1CNc3c(C#N)cnn3C1)C2	ZINC000516468591	562044004	/nfs/dbraw/zinc/04/40/04/562044004.db2.gz	ZKEXUDQISMVKCL-PTSWNOGYSA-N	1	1	371.485	2.240	20	30		FEEDMO
N#Cc1cnn2cc(C[NH+]3CCC(NC(=O)C4CCCCC4)CC3)cnc12	ZINC000516469803	562044054	/nfs/dbraw/zinc/04/40/54/562044054.db2.gz	QOCOEEHCTGYYTO-UHFFFAOYSA-N	1	1	366.469	2.262	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C3CC3)C2)n1	ZINC000369938360	556735907	/nfs/dbraw/zinc/73/59/07/556735907.db2.gz	UOERWBSKPGCXHK-DOTOQJQBSA-N	1	1	355.486	2.077	20	30		FEEDMO
C=CCC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1	ZINC000369956481	556741156	/nfs/dbraw/zinc/74/11/56/556741156.db2.gz	BZTBIEGWFYGIRJ-NHCUHLMSSA-N	1	1	371.525	2.259	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[N@@H+](CC(C)C)CC1	ZINC000370478743	556884867	/nfs/dbraw/zinc/88/48/67/556884867.db2.gz	WTYXILDDFYBRID-UHFFFAOYSA-N	1	1	372.469	2.086	20	30		FEEDMO
Cc1nnc([C@H]2CC23CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC3)o1	ZINC000370805197	556973570	/nfs/dbraw/zinc/97/35/70/556973570.db2.gz	ZOSHRDAGHRZFML-MRXNPFEDSA-N	1	1	351.410	2.458	20	30		FEEDMO
C=CCN(C(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C)C1CC1	ZINC000371387419	557170373	/nfs/dbraw/zinc/17/03/73/557170373.db2.gz	IMKRFMYFQPLHMF-UHFFFAOYSA-N	1	1	351.454	2.354	20	30		FEEDMO
C[C@@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1ccc(C#N)nc1	ZINC000371494555	557199441	/nfs/dbraw/zinc/19/94/41/557199441.db2.gz	ZDNPXFCHVJVZCF-OXJNMPFZSA-N	1	1	364.449	2.315	20	30		FEEDMO
C[C@@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C(=O)c1ccc(C#N)nc1	ZINC000371494555	557199444	/nfs/dbraw/zinc/19/94/44/557199444.db2.gz	ZDNPXFCHVJVZCF-OXJNMPFZSA-N	1	1	364.449	2.315	20	30		FEEDMO
N#CCCN(CC1CC1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1	ZINC000518134215	562105179	/nfs/dbraw/zinc/10/51/79/562105179.db2.gz	IWHXBLRABPSEGL-SFHVURJKSA-N	1	1	371.485	2.170	20	30		FEEDMO
CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1	ZINC000517958015	562101593	/nfs/dbraw/zinc/10/15/93/562101593.db2.gz	YPANVISLHYQSAT-QGZVFWFLSA-N	1	1	365.437	2.345	20	30		FEEDMO
Cn1nccc1Cn1c2c(cc(C#N)c1=O)C[N@H+](Cc1ccccc1)CC2	ZINC000518564197	562114478	/nfs/dbraw/zinc/11/44/78/562114478.db2.gz	KHYVBTXSPPWGGZ-UHFFFAOYSA-N	1	1	359.433	2.060	20	30		FEEDMO
C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(F)cc2C#N)[C@@H]1c1cccnc1	ZINC000372431660	557468735	/nfs/dbraw/zinc/46/87/35/557468735.db2.gz	OEAVSPUMFNLCPA-KSSFIOAISA-N	1	1	374.441	2.064	20	30		FEEDMO
C=CCN(C(=O)c1ccc(C(N)=O)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372602685	557517599	/nfs/dbraw/zinc/51/75/99/557517599.db2.gz	WQMKAZFRRCKMCS-GOSISDBHSA-N	1	1	364.449	2.083	20	30		FEEDMO
CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1	ZINC000372669127	557533371	/nfs/dbraw/zinc/53/33/71/557533371.db2.gz	HELIVUXQZAEXSC-HNNXBMFYSA-N	1	1	369.400	2.086	20	30		FEEDMO
CC[N@@H+]1CCO[C@H](CN2CCN(CC#Cc3cccc(Cl)c3)CC2)C1	ZINC000372769711	557559171	/nfs/dbraw/zinc/55/91/71/557559171.db2.gz	ZOBBDNVOWVHZNI-FQEVSTJZSA-N	1	1	361.917	2.030	20	30		FEEDMO
CC[N@H+]1CCO[C@H](CN2CCN(CC#Cc3cccc(Cl)c3)CC2)C1	ZINC000372769711	557559173	/nfs/dbraw/zinc/55/91/73/557559173.db2.gz	ZOBBDNVOWVHZNI-FQEVSTJZSA-N	1	1	361.917	2.030	20	30		FEEDMO
CCN1CCO[C@H](C[NH+]2CCN(CC#Cc3cccc(Cl)c3)CC2)C1	ZINC000372769711	557559174	/nfs/dbraw/zinc/55/91/74/557559174.db2.gz	ZOBBDNVOWVHZNI-FQEVSTJZSA-N	1	1	361.917	2.030	20	30		FEEDMO
C=CCN(C(=O)c1cccc(=O)n1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372878466	557581007	/nfs/dbraw/zinc/58/10/07/557581007.db2.gz	GSBHXBVCADWMSA-GOSISDBHSA-N	1	1	351.450	2.288	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000372948014	557594518	/nfs/dbraw/zinc/59/45/18/557594518.db2.gz	BFQVKYYIJBYKQD-BZUAXINKSA-N	1	1	364.490	2.078	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1	ZINC000372948014	557594519	/nfs/dbraw/zinc/59/45/19/557594519.db2.gz	BFQVKYYIJBYKQD-BZUAXINKSA-N	1	1	364.490	2.078	20	30		FEEDMO
CN(CC1CCCCC1)C(=O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000520316187	562153288	/nfs/dbraw/zinc/15/32/88/562153288.db2.gz	SYZHFDHGQRAPKV-SFHVURJKSA-N	1	1	356.470	2.445	20	30		FEEDMO
CN(CC1CCCCC1)C(=O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1	ZINC000520316187	562153289	/nfs/dbraw/zinc/15/32/89/562153289.db2.gz	SYZHFDHGQRAPKV-SFHVURJKSA-N	1	1	356.470	2.445	20	30		FEEDMO
C#CC[C@@H](C)NC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000373806236	557763401	/nfs/dbraw/zinc/76/34/01/557763401.db2.gz	JQNNPIKSYLSXEK-CVEARBPZSA-N	1	1	351.491	2.236	20	30		FEEDMO
C#CC[C@@H](C)NC(=O)N1CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1	ZINC000373806236	557763399	/nfs/dbraw/zinc/76/33/99/557763399.db2.gz	JQNNPIKSYLSXEK-CVEARBPZSA-N	1	1	351.491	2.236	20	30		FEEDMO
CC(C)c1nccn1[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000373950521	557794817	/nfs/dbraw/zinc/79/48/17/557794817.db2.gz	PRADYNUVYDEDGL-QGZVFWFLSA-N	1	1	356.474	2.299	20	30		FEEDMO
CC(C)c1nccn1[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1	ZINC000373950521	557794819	/nfs/dbraw/zinc/79/48/19/557794819.db2.gz	PRADYNUVYDEDGL-QGZVFWFLSA-N	1	1	356.474	2.299	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1=O	ZINC000374109856	557825156	/nfs/dbraw/zinc/82/51/56/557825156.db2.gz	URHXHSLMQTYVPU-BEFAXECRSA-N	1	1	359.470	2.001	20	30		FEEDMO
Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)cn1	ZINC000374259177	557852963	/nfs/dbraw/zinc/85/29/63/557852963.db2.gz	ZKJJGIXCAZLHPO-SJLPKXTDSA-N	1	1	350.426	2.028	20	30		FEEDMO
CCS(=O)(=O)NCC[NH2+][C@@H](C)c1nc(-c2ccc(C#N)cc2)cs1	ZINC000374955247	557956190	/nfs/dbraw/zinc/95/61/90/557956190.db2.gz	PVWWQQNSBVPXKW-LBPRGKRZSA-N	1	1	364.496	2.272	20	30		FEEDMO
C[C@@H]1C[C@@H](CNS(=O)(=O)c2cccnc2C#N)C[N@H+]1Cc1ccccc1	ZINC000375440150	558027780	/nfs/dbraw/zinc/02/77/80/558027780.db2.gz	YLRPOVXZKUUUTA-WBVHZDCISA-N	1	1	370.478	2.142	20	30		FEEDMO
COc1ccccc1N1CC[C@H](C)[N@@H+](CCC(=O)N(C)CCC#N)CC1	ZINC000375673508	558065393	/nfs/dbraw/zinc/06/53/93/558065393.db2.gz	GHNZVWNLIFSFJQ-KRWDZBQOSA-N	1	1	358.486	2.358	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+]1CCN(c2ccccc2OC)CC[C@H]1C	ZINC000375672431	558065567	/nfs/dbraw/zinc/06/55/67/558065567.db2.gz	MVABHPDUIYHFBY-QGZVFWFLSA-N	1	1	358.486	2.358	20	30		FEEDMO
C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C1	ZINC000375694419	558068694	/nfs/dbraw/zinc/06/86/94/558068694.db2.gz	XFJHVKZKBYJBQA-IBGZPJMESA-N	1	1	354.498	2.340	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccnc(COC)n2)C1	ZINC000375759867	558078540	/nfs/dbraw/zinc/07/85/40/558078540.db2.gz	PKNMZIKBYZEHLT-IRXDYDNUSA-N	1	1	358.486	2.392	20	30		FEEDMO
CC(=O)N1CCCCC[C@H]1C1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1	ZINC000376630056	558199881	/nfs/dbraw/zinc/19/98/81/558199881.db2.gz	YTTQORPFJTYRNV-SFHVURJKSA-N	1	1	360.502	2.052	20	30		FEEDMO
COC(=O)[C@@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1cccc(C#N)c1	ZINC000376691140	558209315	/nfs/dbraw/zinc/20/93/15/558209315.db2.gz	RNZJHLCJVNYGGU-UFYCRDLUSA-N	1	1	364.449	2.450	20	30		FEEDMO
COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1	ZINC000377881075	558440943	/nfs/dbraw/zinc/44/09/43/558440943.db2.gz	USDBDFDFQSXYJI-OALUTQOASA-N	1	1	358.486	2.436	20	30		FEEDMO
Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n(CCC#N)n1	ZINC000523340559	562211552	/nfs/dbraw/zinc/21/15/52/562211552.db2.gz	JSQNHMNSSJQNRZ-QGZVFWFLSA-N	1	1	352.442	2.351	20	30		FEEDMO
C#CCOc1ccccc1C[N@H+](C)C1CCN(CC(=O)N2CCCC2)CC1	ZINC000378349268	558535190	/nfs/dbraw/zinc/53/51/90/558535190.db2.gz	IVYMQZHFNOGZEB-UHFFFAOYSA-N	1	1	369.509	2.217	20	30		FEEDMO
C#CCOc1ccccc1C[N@H+]1C[C@H]2CN(Cc3noc(CC)n3)C[C@H]2C1	ZINC000378349348	558535709	/nfs/dbraw/zinc/53/57/09/558535709.db2.gz	JOHWRTAUXMHTCF-HDICACEKSA-N	1	1	366.465	2.208	20	30		FEEDMO
C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1	ZINC000523467146	562213674	/nfs/dbraw/zinc/21/36/74/562213674.db2.gz	LWJPRFRVOUSIOK-JYJNAYRXSA-N	1	1	359.470	2.315	20	30		FEEDMO
N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](n3cc4ccccc4n3)C2)c1	ZINC000378572928	558586715	/nfs/dbraw/zinc/58/67/15/558586715.db2.gz	CSVWPLOGBHBQGJ-IBGZPJMESA-N	1	1	359.433	2.471	20	30		FEEDMO
CC1CC(C#N)(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1	ZINC000404191798	558631357	/nfs/dbraw/zinc/63/13/57/558631357.db2.gz	NRTRXGYHQNUTBW-PYNJAUNQSA-N	1	1	353.466	2.428	20	30		FEEDMO
C[N@H+]1CCO[C@H]2CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C[C@@H]21	ZINC000408032130	558640033	/nfs/dbraw/zinc/64/00/33/558640033.db2.gz	ZYZPFAZXUKEZNC-PMACEKPBSA-N	1	1	365.481	2.393	20	30		FEEDMO
C[N@H+]1CCO[C@@H]2CN(c3nc4c(c(C#N)c3C#N)CCCCCC4)C[C@H]21	ZINC000408332654	558667333	/nfs/dbraw/zinc/66/73/33/558667333.db2.gz	YDNHNFFCMYFFIX-RTBURBONSA-N	1	1	351.454	2.003	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1	ZINC000409527822	558700442	/nfs/dbraw/zinc/70/04/42/558700442.db2.gz	IHLZNPNDRLTOCY-CVEARBPZSA-N	1	1	368.503	2.123	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000409566691	558703591	/nfs/dbraw/zinc/70/35/91/558703591.db2.gz	BPAZAPQNSILQFR-IXDOHACOSA-N	1	1	358.552	2.060	20	30		FEEDMO
C[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)n1cnc(C#N)n1	ZINC000409636441	558709529	/nfs/dbraw/zinc/70/95/29/558709529.db2.gz	SFXGKRYFASQPRR-INIZCTEOSA-N	1	1	366.469	2.081	20	30		FEEDMO
C[C@H](CCC#N)[NH+]1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1	ZINC000411500079	558906349	/nfs/dbraw/zinc/90/63/49/558906349.db2.gz	SEGYWGGAWJSHBA-UYAOXDASSA-N	1	1	354.498	2.487	20	30		FEEDMO
C[C@H](CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)[N@@H+](C)C1CC1	ZINC000525849223	562257250	/nfs/dbraw/zinc/25/72/50/562257250.db2.gz	XLUKDLQSXVGGAS-MXWWQKGMSA-N	1	1	371.485	2.425	20	30		FEEDMO
N#CC1(NC(=O)C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)CCC1	ZINC000525886090	562258573	/nfs/dbraw/zinc/25/85/73/562258573.db2.gz	YKHOJPRWOAUSKS-INIZCTEOSA-N	1	1	364.453	2.214	20	30		FEEDMO
N#CC1(NC(=O)C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)CCC1	ZINC000525886090	562258574	/nfs/dbraw/zinc/25/85/74/562258574.db2.gz	YKHOJPRWOAUSKS-INIZCTEOSA-N	1	1	364.453	2.214	20	30		FEEDMO
CNC(=O)NC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1	ZINC000412055664	559007438	/nfs/dbraw/zinc/00/74/38/559007438.db2.gz	PUOMHAFWDYWAPL-UHFFFAOYSA-N	1	1	355.360	2.330	20	30		FEEDMO
CC(C)[N@@H+](C[C@H]1CCC(=O)N1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000412065094	559008874	/nfs/dbraw/zinc/00/88/74/559008874.db2.gz	CVEYLOYKGLADMU-SJLPKXTDSA-N	1	1	354.454	2.043	20	30		FEEDMO
CC(C)[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1CCC(=O)N1	ZINC000412076098	559010407	/nfs/dbraw/zinc/01/04/07/559010407.db2.gz	KSPOQHQAWKFCFX-CYBMUJFWSA-N	1	1	374.510	2.426	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc(C#N)n1C	ZINC000412673006	559049840	/nfs/dbraw/zinc/04/98/40/559049840.db2.gz	MPKATWXTVXXCSC-YLJYHZDGSA-N	1	1	366.465	2.164	20	30		FEEDMO
CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc(C#N)ccn1	ZINC000412673987	559049978	/nfs/dbraw/zinc/04/99/78/559049978.db2.gz	NSMUGLNQFCQUKM-UYAOXDASSA-N	1	1	364.449	2.220	20	30		FEEDMO
Cc1cc(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(C#N)cc1[N+](=O)[O-]	ZINC000413109812	559078953	/nfs/dbraw/zinc/07/89/53/559078953.db2.gz	NOWPJBVDAFELQZ-MRXNPFEDSA-N	1	1	359.430	2.130	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1	ZINC000413521753	559113907	/nfs/dbraw/zinc/11/39/07/559113907.db2.gz	ZOELAKGWBAXJBA-LJQANCHMSA-N	1	1	358.530	2.499	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cnn(C)c1C#N	ZINC000527251304	562282335	/nfs/dbraw/zinc/28/23/35/562282335.db2.gz	BUIGKOGWNVXGSX-MRXNPFEDSA-N	1	1	367.453	2.124	20	30		FEEDMO
C[C@H](C#N)S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000416444071	559313283	/nfs/dbraw/zinc/31/32/83/559313283.db2.gz	XEIYBQXVRQTHDF-HCKVZZMMSA-N	1	1	359.854	2.303	20	30		FEEDMO
C[C@H](C#N)S(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000416444071	559313284	/nfs/dbraw/zinc/31/32/84/559313284.db2.gz	XEIYBQXVRQTHDF-HCKVZZMMSA-N	1	1	359.854	2.303	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C	ZINC000416772941	559332130	/nfs/dbraw/zinc/33/21/30/559332130.db2.gz	SKVHVUFZWOKVER-LSDHHAIUSA-N	1	1	360.458	2.264	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C	ZINC000416772941	559332131	/nfs/dbraw/zinc/33/21/31/559332131.db2.gz	SKVHVUFZWOKVER-LSDHHAIUSA-N	1	1	360.458	2.264	20	30		FEEDMO
C=C(C)COc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c1	ZINC000416795474	559332916	/nfs/dbraw/zinc/33/29/16/559332916.db2.gz	TYKHAAQEHRJMNM-OAHLLOKOSA-N	1	1	361.442	2.210	20	30		FEEDMO
C=CCCC[C@H](C)NC(=O)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC	ZINC000419155519	559430372	/nfs/dbraw/zinc/43/03/72/559430372.db2.gz	RRKUEOSGFFRXAA-DOTOQJQBSA-N	1	1	359.470	2.029	20	30		FEEDMO
CN(C)CC[NH+]1CCC(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1	ZINC000419402593	559440780	/nfs/dbraw/zinc/44/07/80/559440780.db2.gz	CHUWWTBHCOZBMN-FQEVSTJZSA-N	1	1	369.513	2.261	20	30		FEEDMO
C[C@@H]1CN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC[N@H+]1CC(C)(C)O	ZINC000419619003	559450235	/nfs/dbraw/zinc/45/02/35/559450235.db2.gz	PEXXUMKCKDHEER-BEFAXECRSA-N	1	1	370.497	2.422	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000419622004	559450244	/nfs/dbraw/zinc/45/02/44/559450244.db2.gz	SHLQKVKJMMVUMN-CLCXKQKWSA-N	1	1	356.470	2.032	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[C@H](C)C1	ZINC000419627145	559450516	/nfs/dbraw/zinc/45/05/16/559450516.db2.gz	XUBUNYMGHJUHRY-ZRGWGRIASA-N	1	1	356.470	2.032	20	30		FEEDMO
CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F	ZINC000420757233	559502720	/nfs/dbraw/zinc/50/27/20/559502720.db2.gz	BUVXPJJRZMHAMU-GFCCVEGCSA-N	1	1	361.389	2.292	20	30		FEEDMO
C=C(C)CN(CC)C(=O)[C@H](C)N1CCCN(C2CC[NH+](CC)CC2)CC1	ZINC000420979327	559516381	/nfs/dbraw/zinc/51/63/81/559516381.db2.gz	KKMYAWGHRULHAF-IBGZPJMESA-N	1	1	364.578	2.292	20	30		FEEDMO
CC(C)(CC#N)CNC(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1	ZINC000422294091	559576261	/nfs/dbraw/zinc/57/62/61/559576261.db2.gz	BISZLSVLZAUMES-NRFANRHFSA-N	1	1	370.497	2.213	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCC(C)(C)CC#N	ZINC000422343171	559580020	/nfs/dbraw/zinc/58/00/20/559580020.db2.gz	SGPJNNMNURFVAA-AEFFLSMTSA-N	1	1	370.497	2.069	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C	ZINC000422352210	559580772	/nfs/dbraw/zinc/58/07/72/559580772.db2.gz	MMWMSTKMCVVDGM-XUBOLADHSA-N	1	1	369.509	2.422	20	30		FEEDMO
C[C@@H](NC(=O)C(=O)NCC(C)(C)CC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000422432648	559587857	/nfs/dbraw/zinc/58/78/57/559587857.db2.gz	XMHKEXRLVPDTLO-AEFFLSMTSA-N	1	1	370.497	2.069	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1	ZINC000422523876	559592865	/nfs/dbraw/zinc/59/28/65/559592865.db2.gz	DPPRMWUQMGTCKI-RBUKOAKNSA-N	1	1	357.498	2.089	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1	ZINC000422523876	559592866	/nfs/dbraw/zinc/59/28/66/559592866.db2.gz	DPPRMWUQMGTCKI-RBUKOAKNSA-N	1	1	357.498	2.089	20	30		FEEDMO
COc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)N2CCCCC2)cc1	ZINC000424144376	559656087	/nfs/dbraw/zinc/65/60/87/559656087.db2.gz	XJRKGJSRVGYNOD-RTBURBONSA-N	1	1	358.486	2.360	20	30		FEEDMO
N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)[nH]2)C1	ZINC000424164992	559656608	/nfs/dbraw/zinc/65/66/08/559656608.db2.gz	CXMPTWRHAHSTEG-HOTGVXAUSA-N	1	1	352.442	2.199	20	30		FEEDMO
C=CCCn1cc(C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)nn1	ZINC000424668169	559673051	/nfs/dbraw/zinc/67/30/51/559673051.db2.gz	SHQCNXNGFRSUHF-UHFFFAOYSA-N	1	1	372.473	2.101	20	30		FEEDMO
C=CCC1(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCOCC1	ZINC000424753839	559675647	/nfs/dbraw/zinc/67/56/47/559675647.db2.gz	BYXCSVUEHNIWAS-IBGZPJMESA-N	1	1	358.482	2.242	20	30		FEEDMO
C=CCCn1cc(C(=O)NC[C@@H]2OCC[N@@H+](CC)[C@H]2c2ccccc2)nn1	ZINC000424825056	559677723	/nfs/dbraw/zinc/67/77/23/559677723.db2.gz	QWLVNIWGLOJNPE-OALUTQOASA-N	1	1	369.469	2.046	20	30		FEEDMO
C=CCCn1cc(C(=O)NC[C@@H]2OCC[N@H+](CC)[C@H]2c2ccccc2)nn1	ZINC000424825056	559677724	/nfs/dbraw/zinc/67/77/24/559677724.db2.gz	QWLVNIWGLOJNPE-OALUTQOASA-N	1	1	369.469	2.046	20	30		FEEDMO
C=CCn1cc(CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nn1	ZINC000424920658	559680114	/nfs/dbraw/zinc/68/01/14/559680114.db2.gz	CLJHPNSSPRIBCM-IYBDPMFKSA-N	1	1	369.469	2.003	20	30		FEEDMO
C=CCn1cc(CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)nn1	ZINC000424920658	559680115	/nfs/dbraw/zinc/68/01/15/559680115.db2.gz	CLJHPNSSPRIBCM-IYBDPMFKSA-N	1	1	369.469	2.003	20	30		FEEDMO
Cc1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)nn1-c1c(F)cccc1F	ZINC000527312144	562284951	/nfs/dbraw/zinc/28/49/51/562284951.db2.gz	CZNFTBJWGBJBBI-UHFFFAOYSA-N	1	1	359.380	2.177	20	30		FEEDMO
C=CCn1cc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nn1	ZINC000425435620	559702114	/nfs/dbraw/zinc/70/21/14/559702114.db2.gz	TXWAXUKSEBGATD-HNNXBMFYSA-N	1	1	374.514	2.237	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1	ZINC000425500128	559706098	/nfs/dbraw/zinc/70/60/98/559706098.db2.gz	LEYIDSWJPJCARK-ZVDOUQERSA-N	1	1	354.498	2.247	20	30		FEEDMO
C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1	ZINC000426568941	559738033	/nfs/dbraw/zinc/73/80/33/559738033.db2.gz	VBOYJBHOVCODSO-SFHVURJKSA-N	1	1	374.481	2.473	20	30		FEEDMO
Cc1ncc(S(=O)(=O)Nc2cccc(OCCC[NH+](C)C)c2)cc1C#N	ZINC000427765636	559761872	/nfs/dbraw/zinc/76/18/72/559761872.db2.gz	MRCFBGVQOPRHMJ-UHFFFAOYSA-N	1	1	374.466	2.393	20	30		FEEDMO
N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1	ZINC000428549548	559777852	/nfs/dbraw/zinc/77/78/52/559777852.db2.gz	QBCMAOGHUXGAAI-FPOVZHCZSA-N	1	1	374.444	2.446	20	30		FEEDMO
COC(=O)[C@]1(c2ccccc2)CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1	ZINC000428803044	559783776	/nfs/dbraw/zinc/78/37/76/559783776.db2.gz	IFPHOSQVGNLLHL-ORYQWCPZSA-N	1	1	371.481	2.246	20	30		FEEDMO
C=CC[N@H+](C)CCN(CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000429721674	559804511	/nfs/dbraw/zinc/80/45/11/559804511.db2.gz	RRQNRKBBILSILJ-UHFFFAOYSA-N	1	1	366.469	2.122	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)[C@H](C#N)CCc2ccccc2)CC1	ZINC000433354338	559878108	/nfs/dbraw/zinc/87/81/08/559878108.db2.gz	NYPVETXORIFLTB-FQEVSTJZSA-N	1	1	356.514	2.293	20	30		FEEDMO
CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H](C(N)=O)c1ccc(C#N)cc1	ZINC000434739663	559908382	/nfs/dbraw/zinc/90/83/82/559908382.db2.gz	WLCAZRISPNKDLG-UFYCRDLUSA-N	1	1	363.465	2.104	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1	ZINC000439857930	560001017	/nfs/dbraw/zinc/00/10/17/560001017.db2.gz	QYTJJVLXWQOEKN-LBPRGKRZSA-N	1	1	350.850	2.348	20	30		FEEDMO
CC(C)(C)OC(=O)CN[C@@]1(C)CC[N@@H+](CCOc2cccc(C#N)c2)C1	ZINC000440526563	560013712	/nfs/dbraw/zinc/01/37/12/560013712.db2.gz	YAYAVNIMCBOKCG-FQEVSTJZSA-N	1	1	359.470	2.333	20	30		FEEDMO
CCO[C@@H]1C[C@@](CO)([NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)C1(C)C	ZINC000444806251	560121241	/nfs/dbraw/zinc/12/12/41/560121241.db2.gz	WSBPBVJKGSORTM-BEFAXECRSA-N	1	1	356.426	2.264	20	30		FEEDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1	ZINC000450294967	560257446	/nfs/dbraw/zinc/25/74/46/560257446.db2.gz	TYICMQATVNWLFA-IYBDPMFKSA-N	1	1	357.458	2.461	20	30		FEEDMO
CC(C)N1CC[NH+](C2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)CC1	ZINC000450410886	560261629	/nfs/dbraw/zinc/26/16/29/560261629.db2.gz	NMTOCLYZPLDFHU-UHFFFAOYSA-N	1	1	357.458	2.461	20	30		FEEDMO
C[C@@H]1C[C@@]1(C#N)C(=O)NC1CC([N@@H+](CC(=O)OC(C)(C)C)CC2CC2)C1	ZINC000451157877	560290411	/nfs/dbraw/zinc/29/04/11/560290411.db2.gz	JBRDABAGHUEHPM-RSUOXVLTSA-N	1	1	361.486	2.237	20	30		FEEDMO
C[C@@H]1C[C@@]1(C#N)C(=O)NC1CC([N@H+](CC(=O)OC(C)(C)C)CC2CC2)C1	ZINC000451157877	560290412	/nfs/dbraw/zinc/29/04/12/560290412.db2.gz	JBRDABAGHUEHPM-RSUOXVLTSA-N	1	1	361.486	2.237	20	30		FEEDMO
COC[C@]1(C(=O)OC)CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1	ZINC000451330700	560300603	/nfs/dbraw/zinc/30/06/03/560300603.db2.gz	BFKDZKUUFCBHKP-KRWDZBQOSA-N	1	1	354.353	2.171	20	30		FEEDMO
N#C[C@H]1N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC[C@]12CCCCO2	ZINC000451524818	560311962	/nfs/dbraw/zinc/31/19/62/560311962.db2.gz	LTKQSTHBQDQWJP-IEBWSBKVSA-N	1	1	351.410	2.335	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCCN(Cc2ccc(C)cc2)CC1	ZINC000451669419	560321031	/nfs/dbraw/zinc/32/10/31/560321031.db2.gz	ASLSVOAZRPWYBU-RTWAWAEBSA-N	1	1	371.525	2.353	20	30		FEEDMO
C[C@@H]1CN(CC(=O)N[C@@](C)(C#N)C2CC2)CC[N@@H+](Cc2ccccc2)C1	ZINC000451706072	560323426	/nfs/dbraw/zinc/32/34/26/560323426.db2.gz	JRKFHOLUSKXZNO-UWJYYQICSA-N	1	1	354.498	2.249	20	30		FEEDMO
COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C[C@H]1c1ccccc1	ZINC000452000818	560344348	/nfs/dbraw/zinc/34/43/48/560344348.db2.gz	ZTRWFCKVDWWGOY-HVSHLEFESA-N	1	1	371.481	2.318	20	30		FEEDMO
C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CCN(CC(F)(F)F)CC1	ZINC000452035447	560347024	/nfs/dbraw/zinc/34/70/24/560347024.db2.gz	GLXOMZWMTWKWND-UHFFFAOYSA-N	1	1	360.424	2.288	20	30		FEEDMO
COc1ccc(N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)nc1	ZINC000452052804	560348151	/nfs/dbraw/zinc/34/81/51/560348151.db2.gz	WLEXYVCYBOITDP-UHFFFAOYSA-N	1	1	371.466	2.174	20	30		FEEDMO
CN(C1CC[NH+](CCC(F)(F)F)CC1)S(=O)(=O)c1ccc(C#N)o1	ZINC000452093324	560350663	/nfs/dbraw/zinc/35/06/63/560350663.db2.gz	GJMOKRUGOXRVFZ-UHFFFAOYSA-N	1	1	365.377	2.189	20	30		FEEDMO
C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1	ZINC000453448474	560386936	/nfs/dbraw/zinc/38/69/36/560386936.db2.gz	CLUYYQUWHSYBFC-IAGOWNOFSA-N	1	1	365.522	2.497	20	30		FEEDMO
C=CCn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1	ZINC000453449486	560387013	/nfs/dbraw/zinc/38/70/13/560387013.db2.gz	QBJOBDYJGHAYFI-MRXNPFEDSA-N	1	1	362.522	2.301	20	30		FEEDMO
C=C(C)Cn1c(N2CC[NH+](CCOCC)CC2)nnc1[C@]1(C)CCCO1	ZINC000453458920	560387237	/nfs/dbraw/zinc/38/72/37/560387237.db2.gz	BARBYEIBHCOMKR-IBGZPJMESA-N	1	1	363.506	2.038	20	30		FEEDMO
C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](CCOCC)[C@@H](C)C1	ZINC000453459534	560387315	/nfs/dbraw/zinc/38/73/15/560387315.db2.gz	CRLXNDVWAUOPAB-IRXDYDNUSA-N	1	1	363.506	2.253	20	30		FEEDMO
C=C(C)Cn1c(N2CC[N@H+](CCOC)[C@@H](C)C2)nnc1[C@@]1(C)CCCO1	ZINC000453472504	560387630	/nfs/dbraw/zinc/38/76/30/560387630.db2.gz	XVEOEQHBLVXFON-QFBILLFUSA-N	1	1	363.506	2.037	20	30		FEEDMO
C=C(C)Cn1c(N2CC[N@H+](CCOC)[C@H](C)C2)nnc1[C@@]1(C)CCCO1	ZINC000453472505	560387691	/nfs/dbraw/zinc/38/76/91/560387691.db2.gz	XVEOEQHBLVXFON-VQIMIIECSA-N	1	1	363.506	2.037	20	30		FEEDMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453706820	560398410	/nfs/dbraw/zinc/39/84/10/560398410.db2.gz	GHSHYDGFBHGVAX-GXTWGEPZSA-N	1	1	360.845	2.040	20	30		FEEDMO
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C)cc(C#N)c2)C1	ZINC000453722695	560399670	/nfs/dbraw/zinc/39/96/70/560399670.db2.gz	ODCUCRFFRUZLCZ-QGZVFWFLSA-N	1	1	365.437	2.428	20	30		FEEDMO
CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453751639	560401558	/nfs/dbraw/zinc/40/15/58/560401558.db2.gz	NSVXVKJPBKEZNZ-UHFFFAOYSA-N	1	1	372.469	2.227	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453771412	560403148	/nfs/dbraw/zinc/40/31/48/560403148.db2.gz	UODIGZFYDJGTMI-UONOGXRCSA-N	1	1	372.469	2.225	20	30		FEEDMO
C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1	ZINC000453771412	560403149	/nfs/dbraw/zinc/40/31/49/560403149.db2.gz	UODIGZFYDJGTMI-UONOGXRCSA-N	1	1	372.469	2.225	20	30		FEEDMO
C=C(CC)CNC(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1	ZINC000454022268	560422678	/nfs/dbraw/zinc/42/26/78/560422678.db2.gz	DNRCQMVOCWXHIT-HOTGVXAUSA-N	1	1	359.470	2.317	20	30		FEEDMO
C=C(C)CCNC(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000455327527	560478138	/nfs/dbraw/zinc/47/81/38/560478138.db2.gz	PZADUGGMGNNBTJ-IAGOWNOFSA-N	1	1	353.507	2.252	20	30		FEEDMO
CC(C)(Cc1ccc(C#N)cc1)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO	ZINC000455980168	560503093	/nfs/dbraw/zinc/50/30/93/560503093.db2.gz	CATNDIABZVJVNU-LJQANCHMSA-N	1	1	357.498	2.480	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1	ZINC000458790215	560648577	/nfs/dbraw/zinc/64/85/77/560648577.db2.gz	ZVEHWFTTZRPYTK-QYZOEREBSA-N	1	1	361.486	2.075	20	30		FEEDMO
C=CCC[C@H](CO)NC(=O)NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1	ZINC000458790215	560648579	/nfs/dbraw/zinc/64/85/79/560648579.db2.gz	ZVEHWFTTZRPYTK-QYZOEREBSA-N	1	1	361.486	2.075	20	30		FEEDMO
C[C@@H]1CC[C@H](CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)O1	ZINC000459171344	560672200	/nfs/dbraw/zinc/67/22/00/560672200.db2.gz	QDZYRYDYRDDLNL-VQIMIIECSA-N	1	1	356.470	2.343	20	30		FEEDMO
N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCCOc1cccc(C(F)(F)F)c1	ZINC000459475401	560688573	/nfs/dbraw/zinc/68/85/73/560688573.db2.gz	ZWRKGTZOKMHIBB-DOMZBBRYSA-N	1	1	355.360	2.482	20	30		FEEDMO
COCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1c(C)nn(C)c1C	ZINC000459581922	560695859	/nfs/dbraw/zinc/69/58/59/560695859.db2.gz	QSERLWIWYFQUOW-UHFFFAOYSA-N	1	1	369.469	2.386	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1	ZINC000459896694	560717606	/nfs/dbraw/zinc/71/76/06/560717606.db2.gz	NEYXMVDHCPVGNS-UHFFFAOYSA-N	1	1	373.497	2.154	20	30		FEEDMO
C=CCCCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1	ZINC000459896694	560717607	/nfs/dbraw/zinc/71/76/07/560717607.db2.gz	NEYXMVDHCPVGNS-UHFFFAOYSA-N	1	1	373.497	2.154	20	30		FEEDMO
C=CCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2	ZINC000459907101	560718493	/nfs/dbraw/zinc/71/84/93/560718493.db2.gz	KOKQHYWEMGCPFE-NRFANRHFSA-N	1	1	355.482	2.146	20	30		FEEDMO
CCN(C(=O)C(=O)N(C)C[C@H](C)C#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1	ZINC000460054005	560731908	/nfs/dbraw/zinc/73/19/08/560731908.db2.gz	MXAUTOMCQABTHN-ZIFCJYIRSA-N	1	1	370.497	2.288	20	30		FEEDMO
C=C(C)Cn1c(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)nnc1C(C)(C)C	ZINC000460944726	560756766	/nfs/dbraw/zinc/75/67/66/560756766.db2.gz	SBLYHTCHFZUQFT-KRWDZBQOSA-N	1	1	360.550	2.368	20	30		FEEDMO
Cc1nsc(N2CCN(C(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1C#N	ZINC000461202326	560763952	/nfs/dbraw/zinc/76/39/52/560763952.db2.gz	ZMJSMXDPLCJHAQ-VNHYZAJKSA-N	1	1	361.515	2.233	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000464495421	560843363	/nfs/dbraw/zinc/84/33/63/560843363.db2.gz	SIBCQMXYPFFUDI-SFHVURJKSA-N	1	1	357.454	2.228	20	30		FEEDMO
CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1	ZINC000464495421	560843365	/nfs/dbraw/zinc/84/33/65/560843365.db2.gz	SIBCQMXYPFFUDI-SFHVURJKSA-N	1	1	357.454	2.228	20	30		FEEDMO
C=C(C)C[N@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1	ZINC000470917872	560993969	/nfs/dbraw/zinc/99/39/69/560993969.db2.gz	NUBRYTAPKAEAAI-UHFFFAOYSA-N	1	1	373.478	2.351	20	30		FEEDMO
C=C(C)C[N@@H+](CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1	ZINC000470917872	560993970	/nfs/dbraw/zinc/99/39/70/560993970.db2.gz	NUBRYTAPKAEAAI-UHFFFAOYSA-N	1	1	373.478	2.351	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1	ZINC000472253310	561021835	/nfs/dbraw/zinc/02/18/35/561021835.db2.gz	ATPBWARJPMOWHO-UXHICEINSA-N	1	1	350.466	2.431	20	30		FEEDMO
CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1C[C@H](O)COc1ccc(C#N)cc1	ZINC000472313895	561024060	/nfs/dbraw/zinc/02/40/60/561024060.db2.gz	GVGOORMKFSVHFG-QYZOEREBSA-N	1	1	359.470	2.019	20	30		FEEDMO
C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)C1	ZINC000473308729	561047263	/nfs/dbraw/zinc/04/72/63/561047263.db2.gz	RJRZYQIGVJJIQL-AWEZNQCLSA-N	1	1	374.872	2.340	20	30		FEEDMO
CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cnn(C)c1C#N	ZINC000476210800	561113270	/nfs/dbraw/zinc/11/32/70/561113270.db2.gz	ZENWOIAZBQMUMF-QGZVFWFLSA-N	1	1	351.454	2.276	20	30		FEEDMO
CCO[C@@]1(C)C[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000528215256	562318997	/nfs/dbraw/zinc/31/89/97/562318997.db2.gz	SDNBJEYYPYIQAZ-QUCCMNQESA-N	1	1	356.470	2.343	20	30		FEEDMO
CC(C)(C)C(=O)N1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C(C)(C)C1	ZINC000528439815	562329289	/nfs/dbraw/zinc/32/92/89/562329289.db2.gz	QERMYBZNNBMQBO-QGZVFWFLSA-N	1	1	373.497	2.267	20	30		FEEDMO
CC(C)(C)C(=O)N1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C(C)(C)C1	ZINC000528439815	562329290	/nfs/dbraw/zinc/32/92/90/562329290.db2.gz	QERMYBZNNBMQBO-QGZVFWFLSA-N	1	1	373.497	2.267	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1	ZINC000528495709	562332221	/nfs/dbraw/zinc/33/22/21/562332221.db2.gz	ZPMZRGOCRRDNSZ-NHCUHLMSSA-N	1	1	373.456	2.321	20	30		FEEDMO
C[N@H+]1CC[C@@H](NCC#CCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1	ZINC000528495709	562332222	/nfs/dbraw/zinc/33/22/22/562332222.db2.gz	ZPMZRGOCRRDNSZ-NHCUHLMSSA-N	1	1	373.456	2.321	20	30		FEEDMO
N#Cc1ccsc1NC(=O)CC[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO	ZINC000528641866	562339901	/nfs/dbraw/zinc/33/99/01/562339901.db2.gz	WCWZDACTACVXIP-OAHLLOKOSA-N	1	1	363.483	2.202	20	30		FEEDMO
Cn1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(-c2ccc(C#N)cc2)n1	ZINC000528782357	562347358	/nfs/dbraw/zinc/34/73/58/562347358.db2.gz	JAQMYHWZUIAYTR-FUMQJTLXSA-N	1	1	354.479	2.444	20	30		FEEDMO
C=CC[C@@H](CO)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nccs1	ZINC000529025486	562357196	/nfs/dbraw/zinc/35/71/96/562357196.db2.gz	KFSBLQWZIKDINN-RCCFBDPRSA-N	1	1	371.506	2.412	20	30		FEEDMO
COCCC1CC[NH+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1	ZINC000530097421	562398103	/nfs/dbraw/zinc/39/81/03/562398103.db2.gz	YXEMVRPHCQPGKM-UHFFFAOYSA-N	1	1	370.453	2.028	20	30		FEEDMO
COc1ccc(OC2CC[NH+]([C@H](C)C(=O)NC3(C#N)CCC3)CC2)cc1	ZINC000530337409	562407353	/nfs/dbraw/zinc/40/73/53/562407353.db2.gz	OUHIQBLHUSZZKD-OAHLLOKOSA-N	1	1	357.454	2.489	20	30		FEEDMO
COc1cc2c(cc1OC)CC[NH+]([C@H](C)C(=O)NC1(C#N)CCC1)CC2	ZINC000530337722	562407465	/nfs/dbraw/zinc/40/74/65/562407465.db2.gz	MVWNTBBARLWSKS-CQSZACIVSA-N	1	1	357.454	2.055	20	30		FEEDMO
Cc1nn(C)c(N2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)c1C#N	ZINC000530513187	562414119	/nfs/dbraw/zinc/41/41/19/562414119.db2.gz	PCVKULQZUUWQHA-UHFFFAOYSA-N	1	1	362.437	2.176	20	30		FEEDMO
N#CCCN(CCC#N)C(=O)C[NH+]1CCC(OCCc2ccccc2)CC1	ZINC000532351968	562474985	/nfs/dbraw/zinc/47/49/85/562474985.db2.gz	IGSVAWDVHQQXHR-UHFFFAOYSA-N	1	1	368.481	2.366	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1	ZINC000532378847	562475872	/nfs/dbraw/zinc/47/58/72/562475872.db2.gz	GZMDFXCSXZAAJT-HNAYVOBHSA-N	1	1	351.491	2.485	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1	ZINC000532378847	562475873	/nfs/dbraw/zinc/47/58/73/562475873.db2.gz	GZMDFXCSXZAAJT-HNAYVOBHSA-N	1	1	351.491	2.485	20	30		FEEDMO
CCC[N@@H+](CC)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1	ZINC000532926664	562492778	/nfs/dbraw/zinc/49/27/78/562492778.db2.gz	SAFDEEMNXBNWTM-UHFFFAOYSA-N	1	1	371.441	2.187	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C	ZINC000533272134	562503522	/nfs/dbraw/zinc/50/35/22/562503522.db2.gz	KVRPMQNQILDGMM-ILXRZTDVSA-N	1	1	374.510	2.463	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C	ZINC000533272134	562503523	/nfs/dbraw/zinc/50/35/23/562503523.db2.gz	KVRPMQNQILDGMM-ILXRZTDVSA-N	1	1	374.510	2.463	20	30		FEEDMO
CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC([N@@H+](C)CCCO)CC1	ZINC000533991022	562523122	/nfs/dbraw/zinc/52/31/22/562523122.db2.gz	BQXJQHMVCSXFSU-FQEVSTJZSA-N	1	1	373.497	2.267	20	30		FEEDMO
N#Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO	ZINC000534917937	562545079	/nfs/dbraw/zinc/54/50/79/562545079.db2.gz	YGIHJEKFWPRLEU-DLBZAZTESA-N	1	1	355.463	2.233	20	30		FEEDMO
C=C(C)[C@@H](CC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)OCC	ZINC000535917153	562570782	/nfs/dbraw/zinc/57/07/82/562570782.db2.gz	DFWACUIIPCOXBF-CEXWTWQISA-N	1	1	351.535	2.375	20	30		FEEDMO
CC(C)c1[nH+]ccn1CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1	ZINC000602096027	567933447	/nfs/dbraw/zinc/93/34/47/567933447.db2.gz	GEUXDQROZOXQOY-SFHVURJKSA-N	1	1	351.454	2.243	20	30		FEEDMO
N#CCC1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]23CCOC3)CC1	ZINC000602149910	567937384	/nfs/dbraw/zinc/93/73/84/567937384.db2.gz	XWFYSQZVIBHKOL-RXVVDRJESA-N	1	1	353.466	2.335	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H](O)COc2ccc3ccccc3c2)C[C@H](C)N1CC#N	ZINC000602855573	568002188	/nfs/dbraw/zinc/00/21/88/568002188.db2.gz	HKLIKQDWMOXYAB-QKLQHJQFSA-N	1	1	353.466	2.498	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H](O)COc2cccc3ccccc32)C[C@H](C)N1CC#N	ZINC000602857360	568002708	/nfs/dbraw/zinc/00/27/08/568002708.db2.gz	RASXMRUVFZKMCE-SCTDSRPQSA-N	1	1	353.466	2.498	20	30		FEEDMO
C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@H](O)COc1ccc(C#N)cc1	ZINC000568557177	568051322	/nfs/dbraw/zinc/05/13/22/568051322.db2.gz	DSYUAGCKMZXLEZ-FQEVSTJZSA-N	1	1	365.433	2.318	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F	ZINC000603145966	568067691	/nfs/dbraw/zinc/06/76/91/568067691.db2.gz	OOOVOZWRJQBLEO-UNEWFSDZSA-N	1	1	371.403	2.119	20	30		FEEDMO
CCN(C[C@@H](C)C#N)C(=O)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1	ZINC000603209007	568073648	/nfs/dbraw/zinc/07/36/48/568073648.db2.gz	MMHYRKGFKQOPMV-KXBFYZLASA-N	1	1	366.469	2.063	20	30		FEEDMO
C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCc2[nH]c(=O)c(C(N)=O)cc21	ZINC000330297277	568155976	/nfs/dbraw/zinc/15/59/76/568155976.db2.gz	KUCGOXQPAQIPJS-DOMZBBRYSA-N	1	1	360.458	2.485	20	30		FEEDMO
Cc1nccc([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)n1	ZINC000603834461	568158761	/nfs/dbraw/zinc/15/87/61/568158761.db2.gz	VARWMHPXYCRZHT-MOPGFXCFSA-N	1	1	366.465	2.470	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(CC(=O)NC2CCCC2)CC1	ZINC000604415993	568281099	/nfs/dbraw/zinc/28/10/99/568281099.db2.gz	RFIHZFJPIOYMIW-MRXNPFEDSA-N	1	1	362.518	2.155	20	30		FEEDMO
CC(C)CN1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000569595108	568409051	/nfs/dbraw/zinc/40/90/51/568409051.db2.gz	FONNMWKIGBBNBP-SFHVURJKSA-N	1	1	363.527	2.290	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000570367158	568480852	/nfs/dbraw/zinc/48/08/52/568480852.db2.gz	NDTSSDJOXZHQPS-WMLDXEAASA-N	1	1	356.451	2.067	20	30		FEEDMO
C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)C1	ZINC000570367158	568480854	/nfs/dbraw/zinc/48/08/54/568480854.db2.gz	NDTSSDJOXZHQPS-WMLDXEAASA-N	1	1	356.451	2.067	20	30		FEEDMO
CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1	ZINC000570670548	568494606	/nfs/dbraw/zinc/49/46/06/568494606.db2.gz	ABZSIVGBSXQPIZ-HUUCEWRRSA-N	1	1	374.872	2.117	20	30		FEEDMO
C[C@H]1CN(Cc2ccccc2C#N)CC[N@H+]1Cc1ccccc1-c1nn[nH]n1	ZINC000737196441	598899837	/nfs/dbraw/zinc/89/98/37/598899837.db2.gz	IZIQPJPJEIXLML-INIZCTEOSA-N	1	1	373.464	2.445	20	30		FEEDMO
C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1	ZINC000735420246	598269703	/nfs/dbraw/zinc/26/97/03/598269703.db2.gz	NOYSCQZROGXRSX-AWEZNQCLSA-N	1	1	369.473	2.047	20	30		FEEDMO
C[C@@H](O)c1ncc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1	ZINC000809636491	674502065	/nfs/dbraw/zinc/50/20/65/674502065.db2.gz	BJMYXKMFYWSJMI-MLGOLLRUSA-N	1	1	356.451	2.353	20	30		FEEDMO
C#C[C@@H]([NH2+]Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)C(C)(C)C	ZINC000809782733	674509600	/nfs/dbraw/zinc/50/96/00/674509600.db2.gz	FTSWHBKPSFBGHO-TZMCWYRMSA-N	1	1	357.907	2.342	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCC(=O)NC2(C#N)CCCCC2)C1	ZINC000811445997	674604406	/nfs/dbraw/zinc/60/44/06/674604406.db2.gz	BOCJVUVLWUPCDF-SFHVURJKSA-N	1	1	353.438	2.085	20	30		FEEDMO
Brc1ccn2cc(C=NNC3=[NH+][C@@H]4CCCC[C@@H]4N3)nc2c1	ZINC000811645894	674618444	/nfs/dbraw/zinc/61/84/44/674618444.db2.gz	DSDZUKJPHRNMDV-BETUJISGSA-N	1	1	361.247	2.291	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000561424409	674664764	/nfs/dbraw/zinc/66/47/64/674664764.db2.gz	DWWARQVSVRMVJC-OAHLLOKOSA-N	1	1	361.511	2.396	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2Cc2ccccc2)nc1	ZINC000561786548	674699589	/nfs/dbraw/zinc/69/95/89/674699589.db2.gz	UQHGEXNADALPES-GOSISDBHSA-N	1	1	355.463	2.434	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2Cc2ccccc2)nc1	ZINC000561786548	674699592	/nfs/dbraw/zinc/69/95/92/674699592.db2.gz	UQHGEXNADALPES-GOSISDBHSA-N	1	1	355.463	2.434	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(OC2CCCC2)cc1	ZINC000815082161	674913996	/nfs/dbraw/zinc/91/39/96/674913996.db2.gz	BVCKGHAPOVQXGF-UHFFFAOYSA-N	1	1	350.484	2.241	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl	ZINC000815110810	674920347	/nfs/dbraw/zinc/92/03/47/674920347.db2.gz	ZEHUCLVHCQMVHD-UHFFFAOYSA-N	1	1	370.280	2.071	20	30		FEEDMO
C#CCNC(=O)CC[N@H+](CCNC(C)=O)Cc1ccc(Cl)cc1Cl	ZINC000815110810	674920348	/nfs/dbraw/zinc/92/03/48/674920348.db2.gz	ZEHUCLVHCQMVHD-UHFFFAOYSA-N	1	1	370.280	2.071	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000815203971	674930013	/nfs/dbraw/zinc/93/00/13/674930013.db2.gz	PCLXSNXLIIKMNM-HOTGVXAUSA-N	1	1	351.491	2.400	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1C[N@H+](Cc2ccsc2)C[C@@H]1O	ZINC001047557497	674960310	/nfs/dbraw/zinc/96/03/10/674960310.db2.gz	ZGKFAFUNVFTABT-XSLAGTTESA-N	1	1	364.511	2.123	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1O	ZINC001047557497	674960311	/nfs/dbraw/zinc/96/03/11/674960311.db2.gz	ZGKFAFUNVFTABT-XSLAGTTESA-N	1	1	364.511	2.123	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1nc(Cl)c(C#N)s1	ZINC001048710959	675013597	/nfs/dbraw/zinc/01/35/97/675013597.db2.gz	NANYNTGVWZMQOH-SDDRHHMPSA-N	1	1	367.906	2.093	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=C)Br)C[C@@H]2C1	ZINC001048826980	675015928	/nfs/dbraw/zinc/01/59/28/675015928.db2.gz	PTNNABBGBVABSD-QXSJWSMHSA-N	1	1	369.303	2.266	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=C)Br)C[C@@H]2C1	ZINC001048826980	675015929	/nfs/dbraw/zinc/01/59/29/675015929.db2.gz	PTNNABBGBVABSD-QXSJWSMHSA-N	1	1	369.303	2.266	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CCN1c1snc(C)c1C#N	ZINC001049005320	675020824	/nfs/dbraw/zinc/02/08/24/675020824.db2.gz	OZEVBHKYBRZHGC-UHOFOFEASA-N	1	1	361.515	2.281	20	30		FEEDMO
CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000564507137	675029576	/nfs/dbraw/zinc/02/95/76/675029576.db2.gz	WNPBUOUHTGLVQN-LBPRGKRZSA-N	1	1	350.850	2.387	20	30		FEEDMO
C[C@H]1CC[N@@H+](CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1	ZINC000570739123	670762010	/nfs/dbraw/zinc/76/20/10/670762010.db2.gz	QWCYZKBDYGTJES-MAUKXSAKSA-N	1	1	360.889	2.391	20	30		FEEDMO
Cc1cc(Br)ccc1NC(=O)CO[NH+]=C(N)C1CCOCC1	ZINC000112087518	670865903	/nfs/dbraw/zinc/86/59/03/670865903.db2.gz	DTCLRDQXOGDVQL-UHFFFAOYSA-N	1	1	370.247	2.411	20	30		FEEDMO
CCCCn1nc(C)c(C[NH2+]CCNC(=O)C2N=CC=CC2=O)c1Cl	ZINC000113361179	670883843	/nfs/dbraw/zinc/88/38/43/670883843.db2.gz	ALRVIBYGMATWGP-BMRADRMJSA-N	1	1	365.865	2.261	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)o1	ZINC000576969773	671407919	/nfs/dbraw/zinc/40/79/19/671407919.db2.gz	RVNPUZDYSRLPEO-HNNXBMFYSA-N	1	1	351.472	2.474	20	30		FEEDMO
C[N@@H+](CCc1ccccc1)[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCC2)C1	ZINC000580466665	671810125	/nfs/dbraw/zinc/81/01/25/671810125.db2.gz	IGQGGBDDDYKOHF-GOSISDBHSA-N	1	1	361.511	2.259	20	30		FEEDMO
CN(C)C(=[NH+]Cc1n[nH]c(-c2ccc(Br)cc2)n1)N(C)C	ZINC000170914685	672327029	/nfs/dbraw/zinc/32/70/29/672327029.db2.gz	UHQINZDFUATGNR-UHFFFAOYSA-N	1	1	351.252	2.213	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Br)c1	ZINC000611181814	676023202	/nfs/dbraw/zinc/02/32/02/676023202.db2.gz	JQYSHMWMDJUYCD-JKSUJKDBSA-N	1	1	350.260	2.356	20	30		FEEDMO
CC[N@H+]1CCN(C(=O)COc2cccc(Br)c2C#N)C[C@H]1C	ZINC000590684779	672601764	/nfs/dbraw/zinc/60/17/64/672601764.db2.gz	MTYZHNSIYZAEAY-GFCCVEGCSA-N	1	1	366.259	2.252	20	30		FEEDMO
CC[N@@H+](CCSC)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1	ZINC000592200601	672770674	/nfs/dbraw/zinc/77/06/74/672770674.db2.gz	AHKLOXLQBCTJDH-OAHLLOKOSA-N	1	1	366.556	2.142	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CC(N)=NOCC(=O)N1CCC[C@H]2CCCC[C@H]21	ZINC000245471476	672819324	/nfs/dbraw/zinc/81/93/24/672819324.db2.gz	OAYZCUVZKQHLSG-BRWVUGGUSA-N	1	1	350.507	2.331	20	30		FEEDMO
C=CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1	ZINC000247061035	672846537	/nfs/dbraw/zinc/84/65/37/672846537.db2.gz	VLXCFMZWNWFRBX-QZTJIDSGSA-N	1	1	357.564	2.161	20	30		FEEDMO
C=CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1	ZINC000247061035	672846542	/nfs/dbraw/zinc/84/65/42/672846542.db2.gz	VLXCFMZWNWFRBX-QZTJIDSGSA-N	1	1	357.564	2.161	20	30		FEEDMO
N#Cc1csc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)n1	ZINC000593066075	672871269	/nfs/dbraw/zinc/87/12/69/672871269.db2.gz	BIQVTUDUISJASM-MSOLQXFVSA-N	1	1	354.479	2.490	20	30		FEEDMO
N#Cc1sccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000593565839	672945161	/nfs/dbraw/zinc/94/51/61/672945161.db2.gz	AEGKELUHWHHBCO-OCCSQVGLSA-N	1	1	351.497	2.257	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2	ZINC000594034845	673023688	/nfs/dbraw/zinc/02/36/88/673023688.db2.gz	KSCJRUHXAKZWEQ-LLVKDONJSA-N	1	1	351.353	2.391	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2	ZINC000594034845	673023694	/nfs/dbraw/zinc/02/36/94/673023694.db2.gz	KSCJRUHXAKZWEQ-LLVKDONJSA-N	1	1	351.353	2.391	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)[N@@H+](C)C1	ZINC000328915742	673069390	/nfs/dbraw/zinc/06/93/90/673069390.db2.gz	ABTSLNRQVYZEQU-IRXDYDNUSA-N	1	1	351.491	2.233	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)[N@H+](C)C1	ZINC000328973512	673070358	/nfs/dbraw/zinc/07/03/58/673070358.db2.gz	PHVSNBFGVVSOFE-QSJFSLAZSA-N	1	1	365.861	2.287	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)[N@@H+](C)C1	ZINC000328973512	673070362	/nfs/dbraw/zinc/07/03/62/673070362.db2.gz	PHVSNBFGVVSOFE-QSJFSLAZSA-N	1	1	365.861	2.287	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2cc(C#N)ccc2F)C1	ZINC000594790511	673143536	/nfs/dbraw/zinc/14/35/36/673143536.db2.gz	MBXQHXQLQNNISI-AWEZNQCLSA-N	1	1	353.463	2.237	20	30		FEEDMO
CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc(C#N)cc2F)C1	ZINC000594789781	673143566	/nfs/dbraw/zinc/14/35/66/673143566.db2.gz	KRZWMFOXJCXYSF-CQSZACIVSA-N	1	1	353.463	2.237	20	30		FEEDMO
CCN(C(=O)C(=O)Nc1ccccc1SCCC#N)[C@H]1CC[N@@H+](C)C1	ZINC000595104752	673193314	/nfs/dbraw/zinc/19/33/14/673193314.db2.gz	TXQHLPSSDZCZMK-AWEZNQCLSA-N	1	1	360.483	2.183	20	30		FEEDMO
CC[C@@H](C)CN(C)c1ccc(F)cc1C=[NH+]N[C@@H]1CCS(=O)(=O)C1	ZINC000734742576	673471674	/nfs/dbraw/zinc/47/16/74/673471674.db2.gz	AWSJACXCSXEIGB-CZUORRHYSA-N	1	1	355.479	2.419	20	30		FEEDMO
C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C#N)c1ccccc1Br	ZINC000598388925	673564935	/nfs/dbraw/zinc/56/49/35/673564935.db2.gz	VIWLOWJNOFFTQL-WFASDCNBSA-N	1	1	366.259	2.098	20	30		FEEDMO
CN(CCC#N)C[C@H](O)CN[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1	ZINC000600754786	673796640	/nfs/dbraw/zinc/79/66/40/673796640.db2.gz	IICPGSFISZOFAK-PBHICJAKSA-N	1	1	373.328	2.392	20	30		FEEDMO
CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cc(F)cc2C#N)C[C@H]1C	ZINC000601355528	673847124	/nfs/dbraw/zinc/84/71/24/673847124.db2.gz	TXCIVFPXWPNVAT-CJNGLKHVSA-N	1	1	353.463	2.499	20	30		FEEDMO
CC1(C)CN(Cc2ccc(C#N)cc2Br)CC[N@H+]1CCO	ZINC000614924092	676196689	/nfs/dbraw/zinc/19/66/89/676196689.db2.gz	ZMSZDIOSUJLVCV-UHFFFAOYSA-N	1	1	352.276	2.209	20	30		FEEDMO
CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C1	ZINC000603151525	673918368	/nfs/dbraw/zinc/91/83/68/673918368.db2.gz	ANFISKNOODMFRX-QZTJIDSGSA-N	1	1	358.511	2.033	20	30		FEEDMO
N#Cc1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)ncc1Br	ZINC000603269480	673920071	/nfs/dbraw/zinc/92/00/71/673920071.db2.gz	UXKPKXILMBPNJI-CYBMUJFWSA-N	1	1	351.248	2.017	20	30		FEEDMO
C[N@@H+](CCNc1ccc(C#N)cc1CS(N)(=O)=O)C1CCCCC1	ZINC000603279705	673921385	/nfs/dbraw/zinc/92/13/85/673921385.db2.gz	SSPBRHQGKFHRDP-UHFFFAOYSA-N	1	1	350.488	2.023	20	30		FEEDMO
C=CCn1c([C@H]2CCOC2)nnc1N1CC[NH+](Cc2ccsc2)CC1	ZINC000548839023	674000358	/nfs/dbraw/zinc/00/03/58/674000358.db2.gz	IONASGWDLJUQAP-INIZCTEOSA-N	1	1	359.499	2.352	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Cn1c2ccccc2nc1SC(F)F	ZINC000818609175	675228580	/nfs/dbraw/zinc/22/85/80/675228580.db2.gz	MWLCYCUDRYBGTP-UHFFFAOYSA-N	1	1	366.437	2.422	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1	ZINC000819257299	675274697	/nfs/dbraw/zinc/27/46/97/675274697.db2.gz	BVFKGXZFRJMSPI-HNNXBMFYSA-N	1	1	352.479	2.128	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)NCCCc1nc(-c2ccccn2)cs1	ZINC000824349803	675597020	/nfs/dbraw/zinc/59/70/20/675597020.db2.gz	DBUFGRHPFAPCMI-KRWDZBQOSA-N	1	1	354.479	2.352	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCc1nc(-c2ccccn2)cs1	ZINC000824349803	675597022	/nfs/dbraw/zinc/59/70/22/675597022.db2.gz	DBUFGRHPFAPCMI-KRWDZBQOSA-N	1	1	354.479	2.352	20	30		FEEDMO
C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1	ZINC000827095710	675728780	/nfs/dbraw/zinc/72/87/80/675728780.db2.gz	LENJSUNHFBOYHZ-BBRMVZONSA-N	1	1	350.846	2.165	20	30		FEEDMO
O=C(C#Cc1cccs1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000827316446	675747705	/nfs/dbraw/zinc/74/77/05/675747705.db2.gz	BJYBRZQGOVAIHQ-IEBWSBKVSA-N	1	1	354.475	2.099	20	30		FEEDMO
CC[NH+]1CCN(C(=O)c2ccc(NCc3nc(C#N)cs3)cc2)CC1	ZINC000603426541	675799102	/nfs/dbraw/zinc/79/91/02/675799102.db2.gz	AQCUBJKQMSNMQX-UHFFFAOYSA-N	1	1	355.467	2.405	20	30		FEEDMO
C[C@H]1CCC[N@H+]1CCNC(=O)COc1ccc(C#N)c(Br)c1	ZINC000828840843	675847868	/nfs/dbraw/zinc/84/78/68/675847868.db2.gz	WYAKKIDMDOVEKI-LBPRGKRZSA-N	1	1	366.259	2.300	20	30		FEEDMO
C#CCN(CC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1)C(=O)OC(C)(C)C	ZINC000829176350	675868653	/nfs/dbraw/zinc/86/86/53/675868653.db2.gz	SJNQFWTZOXYNQM-INIZCTEOSA-N	1	1	351.491	2.047	20	30		FEEDMO
COc1ccc(Br)cc1C1([NH2+]CC(=O)NCCC#N)CC1	ZINC000829452791	675879351	/nfs/dbraw/zinc/87/93/51/675879351.db2.gz	VYMREVJOOCYKLS-UHFFFAOYSA-N	1	1	352.232	2.066	20	30		FEEDMO
C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@@H]1c1ccccc1	ZINC000619493739	676381256	/nfs/dbraw/zinc/38/12/56/676381256.db2.gz	NBXYRNACZKKURN-MOPGFXCFSA-N	1	1	355.463	2.476	20	30		FEEDMO
C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc(CC#N)c2)[C@@H]1c1ccccc1	ZINC000619493739	676381258	/nfs/dbraw/zinc/38/12/58/676381258.db2.gz	NBXYRNACZKKURN-MOPGFXCFSA-N	1	1	355.463	2.476	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@](F)(CO)C3)sc2C1	ZINC000619815820	676395985	/nfs/dbraw/zinc/39/59/85/676395985.db2.gz	JOBSADBUUQDNDR-XIKOKIGWSA-N	1	1	365.474	2.479	20	30		FEEDMO
C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+]3CC[C@@](F)(CO)C3)sc2C1	ZINC000619815820	676395987	/nfs/dbraw/zinc/39/59/87/676395987.db2.gz	JOBSADBUUQDNDR-XIKOKIGWSA-N	1	1	365.474	2.479	20	30		FEEDMO
C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1	ZINC000677479033	679682246	/nfs/dbraw/zinc/68/22/46/679682246.db2.gz	IDZMNRZHMZVZHL-TZMCWYRMSA-N	1	1	368.275	2.432	20	30		FEEDMO
[NH3+]CC(F)(F)CNS(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1	ZINC000631929565	676964735	/nfs/dbraw/zinc/96/47/35/676964735.db2.gz	JHRYGDZUZNMGBQ-UHFFFAOYSA-N	1	1	368.274	2.213	20	30		FEEDMO
C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)CC1([NH+](C)C)CC1	ZINC000632332622	676988506	/nfs/dbraw/zinc/98/85/06/676988506.db2.gz	SCVOKIMGTQUBGP-UHFFFAOYSA-N	1	1	354.520	2.266	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N(CCCO)Cc1cccc(Cl)c1	ZINC000838623946	680706713	/nfs/dbraw/zinc/70/67/13/680706713.db2.gz	YKIDVFZSYHZRGJ-UHFFFAOYSA-N	1	1	351.878	2.189	20	30		FEEDMO
CC[N@H+]1CCC[C@H]1CNC(=S)N1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000761187927	680714241	/nfs/dbraw/zinc/71/42/41/680714241.db2.gz	OULSBOUVWAOBDI-ROUUACIJSA-N	1	1	358.511	2.290	20	30		FEEDMO
C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(Oc2ccc(Cl)cn2)CC1	ZINC000839201616	680744533	/nfs/dbraw/zinc/74/45/33/680744533.db2.gz	WQSRFINVSLQWFS-CYBMUJFWSA-N	1	1	350.850	2.339	20	30		FEEDMO
CCN(CC)S(=O)(=O)N1CC[NH+](CCC2(C#N)CCCCC2)CC1	ZINC000839460884	680753862	/nfs/dbraw/zinc/75/38/62/680753862.db2.gz	VRTQWULWLMNQBM-UHFFFAOYSA-N	1	1	356.536	2.055	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1nc(CC)c(C(C)(C)C)s1	ZINC000839563738	680762003	/nfs/dbraw/zinc/76/20/03/680762003.db2.gz	KCGLJJFHMUUSPU-UHFFFAOYSA-N	1	1	364.515	2.013	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](Cn2ccnn2)C1	ZINC000661142565	678440786	/nfs/dbraw/zinc/44/07/86/678440786.db2.gz	WXJFSSHACCDCRF-HZPDHXFCSA-N	1	1	359.499	2.265	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)c1cccc(Br)c1	ZINC000839825826	680781762	/nfs/dbraw/zinc/78/17/62/680781762.db2.gz	PLTBSGGIDJVQMB-JKSUJKDBSA-N	1	1	365.271	2.039	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)c1cccc(Br)c1	ZINC000839825826	680781764	/nfs/dbraw/zinc/78/17/64/680781764.db2.gz	PLTBSGGIDJVQMB-JKSUJKDBSA-N	1	1	365.271	2.039	20	30		FEEDMO
C#C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O)[C@@H]1CCCO1	ZINC000763777435	680791988	/nfs/dbraw/zinc/79/19/88/680791988.db2.gz	DIHUQFXOFYIHHS-JYJNAYRXSA-N	1	1	363.255	2.325	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1=O	ZINC000840006218	680792500	/nfs/dbraw/zinc/79/25/00/680792500.db2.gz	BHFMFVMJWBYXHQ-GJZGRUSLSA-N	1	1	352.479	2.103	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1=O	ZINC000840006218	680792501	/nfs/dbraw/zinc/79/25/01/680792501.db2.gz	BHFMFVMJWBYXHQ-GJZGRUSLSA-N	1	1	352.479	2.103	20	30		FEEDMO
C=CCN1CCN(C[N@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)C1=O	ZINC000840015296	680793059	/nfs/dbraw/zinc/79/30/59/680793059.db2.gz	MUQNYOZKQPUDDB-OAHLLOKOSA-N	1	1	352.479	2.199	20	30		FEEDMO
C=CCN1CCN(C[N@@H+]2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)C1=O	ZINC000840015296	680793061	/nfs/dbraw/zinc/79/30/61/680793061.db2.gz	MUQNYOZKQPUDDB-OAHLLOKOSA-N	1	1	352.479	2.199	20	30		FEEDMO
C=CCn1c(-c2cc[nH]n2)nnc1N1CC[NH+](Cc2cccs2)CC1	ZINC000669030340	679215848	/nfs/dbraw/zinc/21/58/48/679215848.db2.gz	HCECGNKVOMFNRC-UHFFFAOYSA-N	1	1	355.471	2.238	20	30		FEEDMO
O=C(Nc1cccc(C#Cc2cccs2)c1)N1CC[NH+](CCO)CC1	ZINC000675684854	679572808	/nfs/dbraw/zinc/57/28/08/679572808.db2.gz	IDSPVXFVAQHHLD-UHFFFAOYSA-N	1	1	355.463	2.290	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(SC)cc2)CC1	ZINC000747818026	679904787	/nfs/dbraw/zinc/90/47/87/679904787.db2.gz	FEFJWYKVSOWRBI-AWEZNQCLSA-N	1	1	359.495	2.197	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2ccc(OC)c(Br)c2)CC1	ZINC000747969256	679917116	/nfs/dbraw/zinc/91/71/16/679917116.db2.gz	YNNGMYIUEIFFBW-UHFFFAOYSA-N	1	1	365.271	2.419	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C1CC(NC(=O)OC(C)(C)C)C1	ZINC000831232253	679951658	/nfs/dbraw/zinc/95/16/58/679951658.db2.gz	KKCBSCDRDIDKFR-WTNGLUPJSA-N	1	1	352.479	2.028	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2scnc2C)CC1(C)C	ZINC000975055272	680008897	/nfs/dbraw/zinc/00/88/97/680008897.db2.gz	KGGOAUQLRDTNMU-HLLBOEOZSA-N	1	1	363.527	2.412	20	30		FEEDMO
C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3OCC[C@H]3C(C)C)[C@@H]2C1	ZINC000978196493	680171245	/nfs/dbraw/zinc/17/12/45/680171245.db2.gz	MANYZEFKXMIPAD-GVRJEKJASA-N	1	1	371.319	2.250	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC3)s2)C1	ZINC001022099675	680195923	/nfs/dbraw/zinc/19/59/23/680195923.db2.gz	NTMAEDYEVRCZBA-BARDWOONSA-N	1	1	362.499	2.134	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1	ZINC000994247763	680230151	/nfs/dbraw/zinc/23/01/51/680230151.db2.gz	XHBGLJYYJNFEFC-FVQBIDKESA-N	1	1	369.937	2.460	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1cnc(C)s1)C2	ZINC000982023807	680263822	/nfs/dbraw/zinc/26/38/22/680263822.db2.gz	XYFVXFIBSASSLZ-SJORKVTESA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](Cc1cc(C)ns1)C2	ZINC000982023734	680263864	/nfs/dbraw/zinc/26/38/64/680263864.db2.gz	UFQQBGGINXMPNY-SJORKVTESA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCC[N@@H+](C[C@@H]2CCCCO2)CC1	ZINC000982135258	680270583	/nfs/dbraw/zinc/27/05/83/680270583.db2.gz	ZBCRYFJPTQLEKW-FHWLQOOXSA-N	1	1	350.503	2.461	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@@H+](CC[C@@H]2CCCCO2)CC1	ZINC000982173990	680272570	/nfs/dbraw/zinc/27/25/70/680272570.db2.gz	SYRDZRRVNOWEQZ-FHWLQOOXSA-N	1	1	350.503	2.461	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+]([C@H](C)COC)C[C@]2(C)C1	ZINC000982282222	680274539	/nfs/dbraw/zinc/27/45/39/680274539.db2.gz	RCNOSBUHEOAXGU-VROUVPMXSA-N	1	1	350.503	2.173	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]Cc1csnn1	ZINC001025108963	680313750	/nfs/dbraw/zinc/31/37/50/680313750.db2.gz	GYNNXEGEEZPUCG-ULQDDVLXSA-N	1	1	364.515	2.380	20	30		FEEDMO
N#Cc1cc(Cl)c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(Cl)c1	ZINC000754412290	680354775	/nfs/dbraw/zinc/35/47/75/680354775.db2.gz	MGEXWLZYRKJXIP-VXGBXAGGSA-N	1	1	354.237	2.458	20	30		FEEDMO
C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1	ZINC000997689008	680363143	/nfs/dbraw/zinc/36/31/43/680363143.db2.gz	MTBXMAYLLISOGH-QSPRXWTASA-N	1	1	356.894	2.007	20	30		FEEDMO
C=C(Br)CN1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC	ZINC001027892949	680363771	/nfs/dbraw/zinc/36/37/71/680363771.db2.gz	IFHLBFMOVGGRQR-SOUVJXGZSA-N	1	1	358.324	2.206	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2csnc2OC)C1	ZINC001028551650	680375311	/nfs/dbraw/zinc/37/53/11/680375311.db2.gz	UOSMDNBFIVDDDA-BMFZPTHFSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2csnc2OC)C1	ZINC001028551650	680375317	/nfs/dbraw/zinc/37/53/17/680375317.db2.gz	UOSMDNBFIVDDDA-BMFZPTHFSA-N	1	1	365.499	2.071	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2	ZINC000998465336	680384185	/nfs/dbraw/zinc/38/41/85/680384185.db2.gz	BJXUQSDNVKWRPH-ILXRZTDVSA-N	1	1	364.877	2.218	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccns2)C1	ZINC001028855770	680385377	/nfs/dbraw/zinc/38/53/77/680385377.db2.gz	MKOSHDLJIHZVCB-SZMVWBNQSA-N	1	1	363.527	2.495	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCOCC2)C1	ZINC001028858263	680385386	/nfs/dbraw/zinc/38/53/86/680385386.db2.gz	HALLHFWTYLLMKN-QYZOEREBSA-N	1	1	350.503	2.222	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CCc2csc(C)n2)C1	ZINC001028860785	680385974	/nfs/dbraw/zinc/38/59/74/680385974.db2.gz	DTODCFVMMCDYDS-SZMVWBNQSA-N	1	1	363.527	2.413	20	30		FEEDMO
COCC[N@H+](CCC(=O)OC)Cc1cc(C#N)ccc1Br	ZINC000755001304	680393370	/nfs/dbraw/zinc/39/33/70/680393370.db2.gz	FTYPWENCOONHHL-UHFFFAOYSA-N	1	1	355.232	2.332	20	30		FEEDMO
COCC[N@@H+](CCC(=O)OC)Cc1cc(C#N)ccc1Br	ZINC000755001304	680393375	/nfs/dbraw/zinc/39/33/75/680393375.db2.gz	FTYPWENCOONHHL-UHFFFAOYSA-N	1	1	355.232	2.332	20	30		FEEDMO
N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)s1	ZINC000999414818	680402779	/nfs/dbraw/zinc/40/27/79/680402779.db2.gz	XHRUIXNBSWXTNL-APHBMKBZSA-N	1	1	355.467	2.227	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)s2)C1	ZINC000999523432	680405422	/nfs/dbraw/zinc/40/54/22/680405422.db2.gz	ICMKDUMBPPXRPH-NDTCATRNSA-N	1	1	364.515	2.297	20	30		FEEDMO
C=C(Br)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1	ZINC001033095602	680417832	/nfs/dbraw/zinc/41/78/32/680417832.db2.gz	CDAPAGOJNKXHMU-QLFBSQMISA-N	1	1	358.324	2.158	20	30		FEEDMO
CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1	ZINC001033283688	680421733	/nfs/dbraw/zinc/42/17/33/680421733.db2.gz	VBPCMKIWBSMVLB-LTUQZUHASA-N	1	1	357.479	2.076	20	30		FEEDMO
CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1	ZINC001033283688	680421734	/nfs/dbraw/zinc/42/17/34/680421734.db2.gz	VBPCMKIWBSMVLB-LTUQZUHASA-N	1	1	357.479	2.076	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)NCC1=CC[N@@H+](CCc2ccns2)CC1	ZINC001000694599	680437285	/nfs/dbraw/zinc/43/72/85/680437285.db2.gz	DTHXQSAPECORMI-MSOLQXFVSA-N	1	1	361.511	2.415	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC2(CC[N@H+](C[C@@H](C)OC)C2)CC1	ZINC001035185633	680443441	/nfs/dbraw/zinc/44/34/41/680443441.db2.gz	FPWUIVGTTHFEKR-KURKYZTESA-N	1	1	350.503	2.317	20	30		FEEDMO
C#C[C@H](NC(=O)NCC[N@H+](C)CCOC)c1ccc(Br)cc1	ZINC000836285923	680445136	/nfs/dbraw/zinc/44/51/36/680445136.db2.gz	YWQLTFKTILNINF-HNNXBMFYSA-N	1	1	368.275	2.001	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1	ZINC000836376670	680459847	/nfs/dbraw/zinc/45/98/47/680459847.db2.gz	INTGIFBTYDIANM-ZWKOTPCHSA-N	1	1	362.905	2.340	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1	ZINC001040302066	680470690	/nfs/dbraw/zinc/47/06/90/680470690.db2.gz	FSHVMVGFMUSRHG-ORVJBUBXSA-N	1	1	350.890	2.477	20	30		FEEDMO
C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1	ZINC001040302066	680470696	/nfs/dbraw/zinc/47/06/96/680470696.db2.gz	FSHVMVGFMUSRHG-ORVJBUBXSA-N	1	1	350.890	2.477	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCOC)C2	ZINC001040444914	680472262	/nfs/dbraw/zinc/47/22/62/680472262.db2.gz	XUNTXGDSZQHHPB-BJLQDIEVSA-N	1	1	350.503	2.319	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl	ZINC000836489257	680476153	/nfs/dbraw/zinc/47/61/53/680476153.db2.gz	WMQOFKIHPHPMQM-HNNXBMFYSA-N	1	1	358.269	2.281	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](CC(=C)Br)CC1	ZINC001001843562	680477827	/nfs/dbraw/zinc/47/78/27/680477827.db2.gz	GUMJORZXSAFELO-CABCVRRESA-N	1	1	357.292	2.314	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1	ZINC000986160963	680497975	/nfs/dbraw/zinc/49/79/75/680497975.db2.gz	JSLPETIJLAZMQU-PMPSAXMXSA-N	1	1	367.921	2.166	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2	ZINC001002833021	680509593	/nfs/dbraw/zinc/50/95/93/680509593.db2.gz	DGEXMBSLLGXEDD-KFWWJZLASA-N	1	1	364.877	2.218	20	30		FEEDMO
C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1OCCO[C@H]1C)C2	ZINC001045944744	680641753	/nfs/dbraw/zinc/64/17/53/680641753.db2.gz	HINUOLMDWTWPSE-BJLQDIEVSA-N	1	1	350.503	2.461	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cccc(NS(=O)(=O)CCC)c1	ZINC000759323576	680642264	/nfs/dbraw/zinc/64/22/64/680642264.db2.gz	GLQCZZYDNJUVJA-KRWDZBQOSA-N	1	1	364.467	2.093	20	30		FEEDMO
CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1	ZINC001046955549	680654151	/nfs/dbraw/zinc/65/41/51/680654151.db2.gz	CRZUUCXTTBKDOF-IXDOHACOSA-N	1	1	354.441	2.146	20	30		FEEDMO
CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)C1	ZINC001046955549	680654154	/nfs/dbraw/zinc/65/41/54/680654154.db2.gz	CRZUUCXTTBKDOF-IXDOHACOSA-N	1	1	354.441	2.146	20	30		FEEDMO
C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1	ZINC001046976084	680655659	/nfs/dbraw/zinc/65/56/59/680655659.db2.gz	CLCBDTFQYRUEPN-OWCLPIDISA-N	1	1	352.429	2.173	20	30		FEEDMO
N#Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1	ZINC001008001950	680659773	/nfs/dbraw/zinc/65/97/73/680659773.db2.gz	HAXFFTDQEGLVSH-XTENKEOPSA-N	1	1	357.479	2.124	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)s1	ZINC001008001950	680659774	/nfs/dbraw/zinc/65/97/74/680659774.db2.gz	HAXFFTDQEGLVSH-XTENKEOPSA-N	1	1	357.479	2.124	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1	ZINC000768384867	680945670	/nfs/dbraw/zinc/94/56/70/680945670.db2.gz	DIGQVFQOMOAPSB-JKSUJKDBSA-N	1	1	355.479	2.053	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1	ZINC000768384867	680945672	/nfs/dbraw/zinc/94/56/72/680945672.db2.gz	DIGQVFQOMOAPSB-JKSUJKDBSA-N	1	1	355.479	2.053	20	30		FEEDMO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCO[C@@]2(CCSC2)C1	ZINC000842618682	680955027	/nfs/dbraw/zinc/95/50/27/680955027.db2.gz	CILUADIBNVGCNP-SFHVURJKSA-N	1	1	355.467	2.291	20	30		FEEDMO
Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCO[C@@]2(CCSC2)C1	ZINC000842618682	680955029	/nfs/dbraw/zinc/95/50/29/680955029.db2.gz	CILUADIBNVGCNP-SFHVURJKSA-N	1	1	355.467	2.291	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1snnc1C	ZINC001049732227	681037843	/nfs/dbraw/zinc/03/78/43/681037843.db2.gz	LOKOVLHSQLYGLV-WCVJEAGWSA-N	1	1	362.499	2.003	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1snnc1C	ZINC001049732227	681037845	/nfs/dbraw/zinc/03/78/45/681037845.db2.gz	LOKOVLHSQLYGLV-WCVJEAGWSA-N	1	1	362.499	2.003	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCc1ccns1	ZINC001049732655	681038093	/nfs/dbraw/zinc/03/80/93/681038093.db2.gz	PJSIOHCRDCGQQS-BDXSIMOUSA-N	1	1	361.511	2.342	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC2(C1)CC[NH+](Cc1nc(C)cs1)CC2	ZINC001050670721	681053415	/nfs/dbraw/zinc/05/34/15/681053415.db2.gz	QFPXRVSPMNMYBK-CVEARBPZSA-N	1	1	361.511	2.467	20	30		FEEDMO
C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCO[C@H]1C(C)C)CO2	ZINC001053805587	681104021	/nfs/dbraw/zinc/10/40/21/681104021.db2.gz	ULURSOMQXYHWFF-BZSNNMDCSA-N	1	1	350.503	2.363	20	30		FEEDMO
C=C(C)CONC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000845602621	681140796	/nfs/dbraw/zinc/14/07/96/681140796.db2.gz	UBEXGZPJPGZGBQ-UHFFFAOYSA-N	1	1	352.866	2.269	20	30		FEEDMO
CC[C@@H]1[C@@H](C(=O)N2CCN(c3nc(C#N)c(Cl)s3)CC2)CC[N@H+]1C	ZINC001056054817	681152035	/nfs/dbraw/zinc/15/20/35/681152035.db2.gz	VFUYYPBDLIBKGA-WCQYABFASA-N	1	1	367.906	2.047	20	30		FEEDMO
CC(=NNCC(C)(C)S(C)(=O)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000774481706	681193570	/nfs/dbraw/zinc/19/35/70/681193570.db2.gz	DMTXZCUBTFRHDZ-QGZVFWFLSA-N	1	1	351.516	2.297	20	30		FEEDMO
N#CC1(NC(=O)C[NH+]2CCC(Cc3nc4c(s3)CCC4)CC2)CCC1	ZINC000932625764	681274351	/nfs/dbraw/zinc/27/43/51/681274351.db2.gz	MJVXCBSYPCUPNL-UHFFFAOYSA-N	1	1	358.511	2.449	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCO1	ZINC000775784082	681334538	/nfs/dbraw/zinc/33/45/38/681334538.db2.gz	GSUQNYMBORHPCB-DRZSPHRISA-N	1	1	352.337	2.106	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@@H]1CCCO1	ZINC000775785991	681335326	/nfs/dbraw/zinc/33/53/26/681335326.db2.gz	UIPOZEWNFZKDTB-CVEARBPZSA-N	1	1	352.381	2.017	20	30		FEEDMO
C#C[C@@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCCO1	ZINC000775796249	681336207	/nfs/dbraw/zinc/33/62/07/681336207.db2.gz	UJUFHWONDBBGIX-CHWSQXEVSA-N	1	1	373.197	2.436	20	30		FEEDMO
C#C[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1	ZINC000775805285	681337072	/nfs/dbraw/zinc/33/70/72/681337072.db2.gz	FJFQEAQOUGETQK-XEGUGMAKSA-N	1	1	351.790	2.346	20	30		FEEDMO
CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CO)c1ccccc1C(F)(F)F	ZINC000933244811	681379771	/nfs/dbraw/zinc/37/97/71/681379771.db2.gz	CIJIJDNISYETIL-IUODEOHRSA-N	1	1	357.376	2.337	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@@H+]1C	ZINC000847525239	681390477	/nfs/dbraw/zinc/39/04/77/681390477.db2.gz	JNDPNTMBSMBLHN-CABCVRRESA-N	1	1	352.479	2.126	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC[N@H+]1C	ZINC000847525239	681390480	/nfs/dbraw/zinc/39/04/80/681390480.db2.gz	JNDPNTMBSMBLHN-CABCVRRESA-N	1	1	352.479	2.126	20	30		FEEDMO
N#Cc1ccc(Br)c(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1	ZINC000934264930	681538842	/nfs/dbraw/zinc/53/88/42/681538842.db2.gz	JSHIAZMMAJPFAX-DLBZAZTESA-N	1	1	364.287	2.352	20	30		FEEDMO
N#Cc1ccc(OCCC[N@@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1	ZINC000778231642	681587619	/nfs/dbraw/zinc/58/76/19/681587619.db2.gz	GBYXZCBVDYXELW-CQSZACIVSA-N	1	1	355.360	2.328	20	30		FEEDMO
C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1	ZINC000948547304	681588767	/nfs/dbraw/zinc/58/87/67/681588767.db2.gz	WLHZBLYTFWDSFD-KFWWJZLASA-N	1	1	364.408	2.222	20	30		FEEDMO
C#CCOc1cccc(Cl)c1C[NH+]1CCC([C@@H](O)C(=O)OC)CC1	ZINC000779163826	681685664	/nfs/dbraw/zinc/68/56/64/681685664.db2.gz	GMGJUSQFSVXHBH-QGZVFWFLSA-N	1	1	351.830	2.098	20	30		FEEDMO
C=C(Br)CNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1	ZINC000849512132	681755853	/nfs/dbraw/zinc/75/58/53/681755853.db2.gz	YRPCVYFGWNYREO-LSDHHAIUSA-N	1	1	369.307	2.259	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@@H]2CC(C)(C)CO2)C1	ZINC000953830782	681800915	/nfs/dbraw/zinc/80/09/15/681800915.db2.gz	JBEQYPOVZLORFA-BZSNNMDCSA-N	1	1	350.503	2.315	20	30		FEEDMO
C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[C@@H](C)CC(=O)N1	ZINC000960267545	682037433	/nfs/dbraw/zinc/03/74/33/682037433.db2.gz	LWHNZDFRNMAZMO-NFBAFIMDSA-N	1	1	361.873	2.025	20	30		FEEDMO
C=CCS(=O)(=O)CC[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl	ZINC000782966393	682098833	/nfs/dbraw/zinc/09/88/33/682098833.db2.gz	DICOYQJZMCVKRY-UHFFFAOYSA-N	1	1	356.879	2.356	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(C)c(C)s3)C[C@H]21	ZINC000962018420	682106820	/nfs/dbraw/zinc/10/68/20/682106820.db2.gz	PRSSJIIDKMVQEQ-DTJSUFBGSA-N	1	1	361.511	2.288	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(C)c(C)s3)C[C@H]21	ZINC000962018420	682106822	/nfs/dbraw/zinc/10/68/22/682106822.db2.gz	PRSSJIIDKMVQEQ-DTJSUFBGSA-N	1	1	361.511	2.288	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)O[C@H](C)C(=O)N1CC[NH+](CC)CC1	ZINC000784752809	682251962	/nfs/dbraw/zinc/25/19/62/682251962.db2.gz	SZZUUSPCZLOLDE-HZPDHXFCSA-N	1	1	355.479	2.053	20	30		FEEDMO
N#C[C@@H]1CC[C@@H]([NH+]2CCC(n3nncc3I)CC2)C1	ZINC000852532665	682296829	/nfs/dbraw/zinc/29/68/29/682296829.db2.gz	NXYDQJZLLPSSFO-ZYHUDNBSSA-N	1	1	371.226	2.212	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@@H+]1CCn2ncc(Br)c2C1	ZINC000852626069	682309656	/nfs/dbraw/zinc/30/96/56/682309656.db2.gz	DQKVAQURLGKSKI-UHFFFAOYSA-N	1	1	374.242	2.362	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCn2ncc(Br)c2C1	ZINC000852626069	682309659	/nfs/dbraw/zinc/30/96/59/682309659.db2.gz	DQKVAQURLGKSKI-UHFFFAOYSA-N	1	1	374.242	2.362	20	30		FEEDMO
C#CCC[N@H+](CCOC)C[C@@H](O)COc1ccc(Br)cc1	ZINC000852752859	682336060	/nfs/dbraw/zinc/33/60/60/682336060.db2.gz	OLUSPIANIYJGFC-OAHLLOKOSA-N	1	1	356.260	2.161	20	30		FEEDMO
C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3OCC[C@H]3C(C)C)C2)C1	ZINC000972387734	682412498	/nfs/dbraw/zinc/41/24/98/682412498.db2.gz	WPSDKWZEZOGJTA-CMKODMSKSA-N	1	1	350.503	2.317	20	30		FEEDMO
C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000853475805	682420019	/nfs/dbraw/zinc/42/00/19/682420019.db2.gz	WWVCDZLRAZDCTJ-CVEARBPZSA-N	1	1	351.491	2.093	20	30		FEEDMO
C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1	ZINC000853475807	682420299	/nfs/dbraw/zinc/42/02/99/682420299.db2.gz	WWVCDZLRAZDCTJ-HZPDHXFCSA-N	1	1	351.491	2.093	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CC(CC)CC)CCO2	ZINC000972562009	682422370	/nfs/dbraw/zinc/42/23/70/682422370.db2.gz	ZGSVTENNDLPEJH-HBFSDRIKSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=CCn1nnn(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)c1=S	ZINC000788383395	682527036	/nfs/dbraw/zinc/52/70/36/682527036.db2.gz	XVQBMIYLFBAKKK-UHFFFAOYSA-N	1	1	359.503	2.365	20	30		FEEDMO
Brc1ccc(C=[NH+]NC2CCOCC2)c(N2CCOCC2)c1	ZINC000788718291	682553821	/nfs/dbraw/zinc/55/38/21/682553821.db2.gz	PELBTCIFVKBIMM-UHFFFAOYSA-N	1	1	368.275	2.388	20	30		FEEDMO
C[NH+]1CCC(C#N)(NC(=O)c2cnc(Br)c(Cl)c2)CC1	ZINC000790890062	682710423	/nfs/dbraw/zinc/71/04/23/682710423.db2.gz	MCKMTINOMYNRNL-UHFFFAOYSA-N	1	1	357.639	2.215	20	30		FEEDMO
CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)CSCC#N)C2)ccn1	ZINC000856658636	682795467	/nfs/dbraw/zinc/79/54/67/682795467.db2.gz	CWSBINSKOWCNMV-QGZVFWFLSA-N	1	1	362.499	2.158	20	30		FEEDMO
C#CC[C@@H](COC)Nc1nc(N[C@@H](CC#C)COC)c2c([nH+]1)CCS2	ZINC000858861265	683008594	/nfs/dbraw/zinc/00/85/94/683008594.db2.gz	VZQFGNWKBYIYML-KBPBESRZSA-N	1	1	360.483	2.025	20	30		FEEDMO
N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)C(F)(F)F)CC1	ZINC000859259390	683067829	/nfs/dbraw/zinc/06/78/29/683067829.db2.gz	KHNZUXKDTNMKML-CQSZACIVSA-N	1	1	356.344	2.141	20	30		FEEDMO
C#CC[N@H+](CCCN1C(=O)CS/C1=C\C(=O)OC)Cc1ccccc1	ZINC000796633024	683179974	/nfs/dbraw/zinc/17/99/74/683179974.db2.gz	QEDBQLTYHHPNRT-AQTBWJFISA-N	1	1	358.463	2.102	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)OCCN1CC[NH+](Cc2ccsc2)CC1	ZINC000797952517	683293365	/nfs/dbraw/zinc/29/33/65/683293365.db2.gz	WGCAKPRHFYSQFI-UHFFFAOYSA-N	1	1	359.451	2.496	20	30		FEEDMO
CCCCCCCS(=O)(=O)N[C@@H]1C[C@]2(C[N@@H+](C)[C@@H]2C(C)C)C[C@H]1O	ZINC000920274161	683328416	/nfs/dbraw/zinc/32/84/16/683328416.db2.gz	MMXZJJLTAMFUSO-BRSBDYLESA-N	1	1	360.564	2.356	20	30		FEEDMO
N#Cc1ccccc1C(F)(F)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12	ZINC000928079445	683372764	/nfs/dbraw/zinc/37/27/64/683372764.db2.gz	YPBCXIWEUUIORJ-LSDHHAIUSA-N	1	1	351.422	2.346	20	30		FEEDMO
N#Cc1ccccc1C(F)(F)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12	ZINC000928079445	683372773	/nfs/dbraw/zinc/37/27/73/683372773.db2.gz	YPBCXIWEUUIORJ-LSDHHAIUSA-N	1	1	351.422	2.346	20	30		FEEDMO
COc1ccc(Br)cc1C=NNCCC[NH+]1CCOCC1	ZINC000799489697	683460417	/nfs/dbraw/zinc/46/04/17/683460417.db2.gz	ZJDSGJWLZULKOS-UHFFFAOYSA-N	1	1	356.264	2.104	20	30		FEEDMO
CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1cc(C#N)ccc1Br	ZINC000921610765	683520329	/nfs/dbraw/zinc/52/03/29/683520329.db2.gz	AEJIGZHOKIEMGE-UHFFFAOYSA-N	1	1	374.304	2.128	20	30		FEEDMO
CN1CC[NH+](Cc2ccc(NC(=O)C3(C#N)CCSCC3)cc2)CC1	ZINC000930217628	683695339	/nfs/dbraw/zinc/69/53/39/683695339.db2.gz	YGAJDKGQRTXWFD-UHFFFAOYSA-N	1	1	358.511	2.409	20	30		FEEDMO
Cc1ccc(C[NH2+]Cc2cn(C)nc2I)cc1C#N	ZINC000922760240	683778663	/nfs/dbraw/zinc/77/86/63/683778663.db2.gz	PVELFRVTESOYDB-UHFFFAOYSA-N	1	1	366.206	2.495	20	30		FEEDMO
CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NCC(C)(C)CC#N)C2)[C@H]1C(C)C	ZINC000922838374	683790740	/nfs/dbraw/zinc/79/07/40/683790740.db2.gz	XYJPGZITCJUQSN-YKTARERQSA-N	1	1	350.507	2.095	20	30		FEEDMO
C=C(Cl)C[C@@H]1NC(=O)N(CC2(C[NH+]3CCOCC3)CCCCC2)C1=O	ZINC000865305711	683965443	/nfs/dbraw/zinc/96/54/43/683965443.db2.gz	UCGNXPQOWUUVRW-HNNXBMFYSA-N	1	1	369.893	2.332	20	30		FEEDMO
C=C(Cl)C[C@@H]1NC(=O)N(C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1=O	ZINC000865307399	683965728	/nfs/dbraw/zinc/96/57/28/683965728.db2.gz	PDFARQGDVNQNFK-AWEZNQCLSA-N	1	1	363.849	2.125	20	30		FEEDMO
Cn1ncc(I)c1C[NH2+]Cc1ccc(C#N)s1	ZINC000865868994	684039161	/nfs/dbraw/zinc/03/91/61/684039161.db2.gz	SNRBYLVKIMDHMO-UHFFFAOYSA-N	1	1	358.208	2.248	20	30		FEEDMO
C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(C#N)c1O	ZINC000866367896	684095180	/nfs/dbraw/zinc/09/51/80/684095180.db2.gz	QYGUZJQWXJEDSY-ZDUSSCGKSA-N	1	1	359.451	2.365	20	30		FEEDMO
C[NH+](C)[C@H](CNS(=O)(=O)c1cc(F)cc(C#N)c1)c1cccs1	ZINC000866404359	684099447	/nfs/dbraw/zinc/09/94/47/684099447.db2.gz	ZKOATGUWYOWLII-CQSZACIVSA-N	1	1	353.444	2.340	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc(F)c(OC)c(F)c2OC)C1	ZINC000931654838	684321384	/nfs/dbraw/zinc/32/13/84/684321384.db2.gz	HIKSLXCFGGYPNX-LLVKDONJSA-N	1	1	353.369	2.201	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(F)c(OC)c(F)c2OC)C1	ZINC000931654838	684321389	/nfs/dbraw/zinc/32/13/89/684321389.db2.gz	HIKSLXCFGGYPNX-LLVKDONJSA-N	1	1	353.369	2.201	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1COCCC1(OC)OC	ZINC000931672049	684325986	/nfs/dbraw/zinc/32/59/86/684325986.db2.gz	STHVTRXDMRYGEY-GOEBONIOSA-N	1	1	368.499	2.019	20	30		FEEDMO
C[C@@]1([C@@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)COC(=O)N1	ZINC000932026543	684392930	/nfs/dbraw/zinc/39/29/30/684392930.db2.gz	SPROSAQYVIFGGD-DYVFJYSZSA-N	1	1	362.455	2.159	20	30		FEEDMO
C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC[C@H]21	ZINC000867812237	684396784	/nfs/dbraw/zinc/39/67/84/684396784.db2.gz	ISFLBMHBUUHVLN-GXTWGEPZSA-N	1	1	373.400	2.292	20	30		FEEDMO
CC[C@H](C[NH+](C)C)OC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1	ZINC000870550057	684729757	/nfs/dbraw/zinc/72/97/57/684729757.db2.gz	CIXRAEBNJWHCRL-OAHLLOKOSA-N	1	1	352.456	2.261	20	30		FEEDMO
C[C@@]12CN(S(=O)(=O)CC3(C#N)CC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2	ZINC000872597810	684985306	/nfs/dbraw/zinc/98/53/06/684985306.db2.gz	PHFXXSWJQSIZFZ-ZWKOTPCHSA-N	1	1	359.495	2.074	20	30		FEEDMO
C[N@@H+](C[C@@H](O)c1cc(Br)no1)C[C@@H](O)c1cccc(C#N)c1	ZINC000878802077	686663922	/nfs/dbraw/zinc/66/39/22/686663922.db2.gz	AQYDCXLASHBPJN-CHWSQXEVSA-N	1	1	366.215	2.008	20	30		FEEDMO
COCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCOCC1	ZINC000879709249	686893015	/nfs/dbraw/zinc/89/30/15/686893015.db2.gz	WMJBYDRANNPQHB-UHFFFAOYSA-N	1	1	351.834	2.278	20	30		FEEDMO
C[C@H](C#N)OCC[N@@H+]1C[C@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880219657	687017785	/nfs/dbraw/zinc/01/77/85/687017785.db2.gz	PVTLRFDYHAMXGR-VKJFTORMSA-N	1	1	353.463	2.015	20	30		FEEDMO
C[C@H](C#N)OCC[N@H+]1C[C@H](C)O[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1	ZINC000880219657	687017789	/nfs/dbraw/zinc/01/77/89/687017789.db2.gz	PVTLRFDYHAMXGR-VKJFTORMSA-N	1	1	353.463	2.015	20	30		FEEDMO
C#CCC1(O)CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1	ZINC000880480493	687052491	/nfs/dbraw/zinc/05/24/91/687052491.db2.gz	UXMYPAMQFHOOCE-UHFFFAOYSA-N	1	1	351.244	2.238	20	30		FEEDMO
C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC2(CC1)COCCO2	ZINC000880544540	687059238	/nfs/dbraw/zinc/05/92/38/687059238.db2.gz	IAEHOIJMMKLTFV-CYBMUJFWSA-N	1	1	363.845	2.420	20	30		FEEDMO
N#Cc1nc(NC(=O)N2CC[NH+](C3CC3)CC2)ccc1Br	ZINC000883082418	687559638	/nfs/dbraw/zinc/55/96/38/687559638.db2.gz	FUNNUGJUGXQJGD-UHFFFAOYSA-N	1	1	350.220	2.028	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Br)c(C#N)n3)CC[C@@H]21	ZINC000883121965	687572006	/nfs/dbraw/zinc/57/20/06/687572006.db2.gz	WMQTYZVMJWCXGC-MFKMUULPSA-N	1	1	364.247	2.274	20	30		FEEDMO
C#CCC1(O)CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CC1	ZINC000883142544	687575549	/nfs/dbraw/zinc/57/55/49/687575549.db2.gz	MNTBSIAYJZFEJS-HNNXBMFYSA-N	1	1	361.511	2.055	20	30		FEEDMO
C#CCC1(O)CCN(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CC1	ZINC000883142544	687575552	/nfs/dbraw/zinc/57/55/52/687575552.db2.gz	MNTBSIAYJZFEJS-HNNXBMFYSA-N	1	1	361.511	2.055	20	30		FEEDMO
C#CC1(F)CN(C(=O)NCC2CC[NH+](Cc3csc(CC)n3)CC2)C1	ZINC000883383702	687619686	/nfs/dbraw/zinc/61/96/86/687619686.db2.gz	DRNLEBKQAIXSGC-UHFFFAOYSA-N	1	1	364.490	2.284	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H](NC(=O)NCCc2nc(C(F)(F)F)cs2)C1	ZINC000884181315	687809729	/nfs/dbraw/zinc/80/97/29/687809729.db2.gz	BGQGFEWIFCEUFY-LLVKDONJSA-N	1	1	360.405	2.101	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCc2nc(C(F)(F)F)cs2)C1	ZINC000884181315	687809737	/nfs/dbraw/zinc/80/97/37/687809737.db2.gz	BGQGFEWIFCEUFY-LLVKDONJSA-N	1	1	360.405	2.101	20	30		FEEDMO
COC(=O)c1ccc(N2CC[NH+](C[C@H](O)CC3(C#N)CCC3)CC2)s1	ZINC000886238669	688217904	/nfs/dbraw/zinc/21/79/04/688217904.db2.gz	FQGLYCNKCWPIPQ-CQSZACIVSA-N	1	1	363.483	2.102	20	30		FEEDMO
CC[N@@H+](CCC(=O)N(C)CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000886412984	688249252	/nfs/dbraw/zinc/24/92/52/688249252.db2.gz	ZDWJIWWEOCYEIR-HNNXBMFYSA-N	1	1	352.479	2.080	20	30		FEEDMO
C#CC[N@H+](C[C@@H](O)C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426343	688253329	/nfs/dbraw/zinc/25/33/29/688253329.db2.gz	TVMPKDRVXWYCEC-CYBMUJFWSA-N	1	1	350.381	2.244	20	30		FEEDMO
C#CC[N@@H+](C[C@@H](O)C(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000886426343	688253334	/nfs/dbraw/zinc/25/33/34/688253334.db2.gz	TVMPKDRVXWYCEC-CYBMUJFWSA-N	1	1	350.381	2.244	20	30		FEEDMO
C#CC[C@H]1CCN(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1	ZINC000887618498	688462868	/nfs/dbraw/zinc/46/28/68/688462868.db2.gz	JSTUBOYNJYDWQZ-IRXDYDNUSA-N	1	1	360.527	2.091	20	30		FEEDMO
CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2nc(Cl)c(C#N)s2)CC1	ZINC000888412407	688607116	/nfs/dbraw/zinc/60/71/16/688607116.db2.gz	JJYKOHCYONHZKR-LLVKDONJSA-N	1	1	370.910	2.063	20	30		FEEDMO
C#CCSCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1	ZINC000889198212	688744204	/nfs/dbraw/zinc/74/42/04/688744204.db2.gz	JRHZFBNBKRIHDH-KRWDZBQOSA-N	1	1	359.495	2.158	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)C1	ZINC000890368440	688911332	/nfs/dbraw/zinc/91/13/32/688911332.db2.gz	IDVAWNGYYWDHKL-GVDBMIGSSA-N	1	1	361.511	2.443	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)C1	ZINC000890368440	688911334	/nfs/dbraw/zinc/91/13/34/688911334.db2.gz	IDVAWNGYYWDHKL-GVDBMIGSSA-N	1	1	361.511	2.443	20	30		FEEDMO
C[C@@H]1C[N@H+](CCCNC(=O)N(C)Cc2cc(C#N)cs2)C[C@H](C)O1	ZINC000891728694	689097941	/nfs/dbraw/zinc/09/79/41/689097941.db2.gz	OCWHOPVIPJMXIA-OKILXGFUSA-N	1	1	350.488	2.260	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1C[C@H]1C[C@]1(C)Br	ZINC000892223389	689166884	/nfs/dbraw/zinc/16/68/84/689166884.db2.gz	IAUKJEZWMWZXHQ-JMSVASOKSA-N	1	1	350.264	2.032	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1C[C@H]1C[C@]1(C)Br	ZINC000892223389	689166886	/nfs/dbraw/zinc/16/68/86/689166886.db2.gz	IAUKJEZWMWZXHQ-JMSVASOKSA-N	1	1	350.264	2.032	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)CSCC#N)C2)O1	ZINC000893917862	689429170	/nfs/dbraw/zinc/42/91/70/689429170.db2.gz	DKXLTOIKINRMAC-QFBILLFUSA-N	1	1	359.495	2.135	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(C(=O)CSCC#N)C2)O1	ZINC000893917862	689429175	/nfs/dbraw/zinc/42/91/75/689429175.db2.gz	DKXLTOIKINRMAC-QFBILLFUSA-N	1	1	359.495	2.135	20	30		FEEDMO
CN(Cc1cc(C#N)cs1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12	ZINC000896608981	689905700	/nfs/dbraw/zinc/90/57/00/689905700.db2.gz	KRBQUIOIATXQEE-CABCVRRESA-N	1	1	350.513	2.341	20	30		FEEDMO
N#Cc1csc(C[NH2+]C[C@H](O)COc2ccc(Br)cc2)n1	ZINC000905656552	691157643	/nfs/dbraw/zinc/15/76/43/691157643.db2.gz	XVTNEUOEXRXKEH-LBPRGKRZSA-N	1	1	368.256	2.307	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(OC)c(C#N)cn1)C2	ZINC001164808535	720070721	/nfs/dbraw/zinc/07/07/21/720070721.db2.gz	HYSYXBTXLBMQCX-FXAWDEMLSA-N	1	1	356.470	2.147	20	30		FEEDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(OC)c(C#N)cc1F)C2	ZINC001164814382	720158359	/nfs/dbraw/zinc/15/83/59/720158359.db2.gz	FYRNBHCHXHZGGE-JXFKEZNVSA-N	1	1	374.460	2.286	20	30		FEEDMO
N#Cc1nc(Cl)c(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc1C#N	ZINC001164722991	720384719	/nfs/dbraw/zinc/38/47/19/720384719.db2.gz	FHQQZJLGDVOZFK-HOTGVXAUSA-N	1	1	365.828	2.122	20	30		FEEDMO
N#Cc1nc(Cl)c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc1C#N	ZINC001164722991	720384726	/nfs/dbraw/zinc/38/47/26/720384726.db2.gz	FHQQZJLGDVOZFK-HOTGVXAUSA-N	1	1	365.828	2.122	20	30		FEEDMO
CCc1nc(C#N)c(C#N)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1	ZINC001164724806	720474274	/nfs/dbraw/zinc/47/42/74/720474274.db2.gz	HVLJDZZRCGMRBC-MOPGFXCFSA-N	1	1	359.437	2.031	20	30		FEEDMO
Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C#N)n1	ZINC001164837374	720556206	/nfs/dbraw/zinc/55/62/06/720556206.db2.gz	MCBWXZKHLRHNKY-OKZBNKHCSA-N	1	1	365.485	2.231	20	30		FEEDMO
Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C#N)n1	ZINC001164844181	720587423	/nfs/dbraw/zinc/58/74/23/720587423.db2.gz	ZQEDSWZJZUFGBN-YQVWRLOYSA-N	1	1	365.485	2.231	20	30		FEEDMO
Cc1cc(C#N)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1C	ZINC001164764244	721111314	/nfs/dbraw/zinc/11/13/14/721111314.db2.gz	HLRLWWOUKOROGR-PKOBYXMFSA-N	1	1	350.470	2.262	20	30		FEEDMO
N#Cc1cc(F)cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164981560	722105312	/nfs/dbraw/zinc/10/53/12/722105312.db2.gz	LSIOBGVRRSOFAP-LPHOPBHVSA-N	1	1	367.428	2.215	20	30		FEEDMO
Cc1cc(C#N)cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1	ZINC001164980355	722151116	/nfs/dbraw/zinc/15/11/16/722151116.db2.gz	NEEFZUIUTZFUSB-WOJBJXKFSA-N	1	1	363.465	2.384	20	30		FEEDMO
Cc1ncc(CO)c(/C=N/Cc2ccccc2C[NH+]2CCOCC2)c1O	ZINC000005111159	539402677	/nfs/dbraw/zinc/40/26/77/539402677.db2.gz	QMKRJHMJWTWMOV-CIAFOILYSA-N	1	1	355.438	2.039	20	30		FEEDMO
CN(Cc1cccc(C#N)c1)C(=O)CN1CC[NH+](Cc2ccccc2)CC1	ZINC000026257553	539781642	/nfs/dbraw/zinc/78/16/42/539781642.db2.gz	DIJCUVAMCFLCNP-UHFFFAOYSA-N	1	1	362.477	2.334	20	30		FEEDMO
C[C@H](Oc1ccccc1C#N)C(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000029754175	539864047	/nfs/dbraw/zinc/86/40/47/539864047.db2.gz	MGCWHBHMNIVLLQ-KRWDZBQOSA-N	1	1	371.481	2.477	20	30		FEEDMO
Cc1cc(NC(=O)CC[NH+]2CCN(c3cccc(F)c3C#N)CC2)no1	ZINC000029858959	539866914	/nfs/dbraw/zinc/86/69/14/539866914.db2.gz	JSHGYZXVUOZWQN-UHFFFAOYSA-N	1	1	357.389	2.145	20	30		FEEDMO
N#Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)nc1	ZINC000033541982	539974637	/nfs/dbraw/zinc/97/46/37/539974637.db2.gz	SHFGGVAHQZVLFQ-QGZVFWFLSA-N	1	1	372.856	2.169	20	30		FEEDMO
CC[NH+]1CCN(CCCCNC(=O)N(C)Cc2cccc(C#N)c2)CC1	ZINC000046753577	540269393	/nfs/dbraw/zinc/26/93/93/540269393.db2.gz	OMRYHCVBIPSONA-UHFFFAOYSA-N	1	1	357.502	2.117	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000046528542	540261357	/nfs/dbraw/zinc/26/13/57/540261357.db2.gz	PUSKOFQNPSRNHS-OAHLLOKOSA-N	1	1	350.422	2.405	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000046528542	540261359	/nfs/dbraw/zinc/26/13/59/540261359.db2.gz	PUSKOFQNPSRNHS-OAHLLOKOSA-N	1	1	350.422	2.405	20	30		FEEDMO
C[N@@H+](CCCNC(=O)C(=O)Nc1ccc(C#N)cc1)Cc1ccccc1	ZINC000049305182	540387150	/nfs/dbraw/zinc/38/71/50/540387150.db2.gz	VKRSYQZOUBMCOH-UHFFFAOYSA-N	1	1	350.422	2.135	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1	ZINC000052530114	540471555	/nfs/dbraw/zinc/47/15/55/540471555.db2.gz	UZWAXHKWESHDQY-UHFFFAOYSA-N	1	1	368.481	2.305	20	30		FEEDMO
CCN(CCC#N)C(=O)C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1	ZINC000052530114	540471559	/nfs/dbraw/zinc/47/15/59/540471559.db2.gz	UZWAXHKWESHDQY-UHFFFAOYSA-N	1	1	368.481	2.305	20	30		FEEDMO
N#Cc1ccc(N2CCC[N@@H+](Cc3cc(=O)n4ccsc4n3)CC2)cc1	ZINC000052799611	540489643	/nfs/dbraw/zinc/48/96/43/540489643.db2.gz	UPWWZQRNKHGTBW-UHFFFAOYSA-N	1	1	365.462	2.340	20	30		FEEDMO
N#Cc1ccc(N2CCC[N@H+](Cc3cc(=O)n4ccsc4n3)CC2)cc1	ZINC000052799611	540489646	/nfs/dbraw/zinc/48/96/46/540489646.db2.gz	UPWWZQRNKHGTBW-UHFFFAOYSA-N	1	1	365.462	2.340	20	30		FEEDMO
C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[N@H+]1CCC[C@@H](C)C1	ZINC000066240563	541294558	/nfs/dbraw/zinc/29/45/58/541294558.db2.gz	FQAJMPQLRLYNFH-CABCVRRESA-N	1	1	366.469	2.176	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000066196123	541289281	/nfs/dbraw/zinc/28/92/81/541289281.db2.gz	WCFTYBOLYGCJOC-OAHLLOKOSA-N	1	1	361.465	2.259	20	30		FEEDMO
N#CCCN(C(=O)CCC(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccccc1	ZINC000066622606	541349037	/nfs/dbraw/zinc/34/90/37/541349037.db2.gz	SLBVXDZULNBJTA-IBGZPJMESA-N	1	1	368.481	2.410	20	30		FEEDMO
CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1	ZINC000067345259	541447188	/nfs/dbraw/zinc/44/71/88/541447188.db2.gz	RCMSJRODERWVFN-LSDHHAIUSA-N	1	1	372.469	2.132	20	30		FEEDMO
C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1	ZINC000068468286	541596161	/nfs/dbraw/zinc/59/61/61/541596161.db2.gz	IVKHPZNPCNEFKS-SFHVURJKSA-N	1	1	368.481	2.098	20	30		FEEDMO
C[C@@H]1CCN(CC(=O)N(CCC#N)CCC#N)CC[N@H+]1Cc1ccccc1	ZINC000072895660	541889804	/nfs/dbraw/zinc/88/98/04/541889804.db2.gz	OLSFSCFXEIWFCH-LJQANCHMSA-N	1	1	367.497	2.239	20	30		FEEDMO
C[C@@H](Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(=O)Nc1ccccc1C#N	ZINC000073412694	541950460	/nfs/dbraw/zinc/95/04/60/541950460.db2.gz	DHMIANBKBKKYKZ-CQSZACIVSA-N	1	1	365.437	2.497	20	30		FEEDMO
CC[N@@H+]1CCO[C@@H](C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1	ZINC000073584725	541969563	/nfs/dbraw/zinc/96/95/63/541969563.db2.gz	HAARJWMFKHINFR-FAFZWHIHSA-N	1	1	357.454	2.085	20	30		FEEDMO
CC[N@H+]1CCO[C@@H](C(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1	ZINC000073584725	541969567	/nfs/dbraw/zinc/96/95/67/541969567.db2.gz	HAARJWMFKHINFR-FAFZWHIHSA-N	1	1	357.454	2.085	20	30		FEEDMO
CCC[N@H+]1CCCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1	ZINC000074073705	542034463	/nfs/dbraw/zinc/03/44/63/542034463.db2.gz	FTKVHZDGXKJOOG-UHFFFAOYSA-N	1	1	368.485	2.095	20	30		FEEDMO
CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000074490364	542090325	/nfs/dbraw/zinc/09/03/25/542090325.db2.gz	GMBPLWIOMVGCKD-OAHLLOKOSA-N	1	1	359.449	2.013	20	30		FEEDMO
COCC[N@@H+](C)CCOc1cccc(CNC(=O)c2ccc(C#N)cc2)c1	ZINC000075579351	542189761	/nfs/dbraw/zinc/18/97/61/542189761.db2.gz	RMTXOXJILXRZAA-UHFFFAOYSA-N	1	1	367.449	2.445	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2	ZINC000802010691	674158581	/nfs/dbraw/zinc/15/85/81/674158581.db2.gz	HCORGUSACUOARM-HNAYVOBHSA-N	1	1	351.491	2.400	20	30		FEEDMO
N#Cc1ccc(CN2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)cc1	ZINC000081112046	542633576	/nfs/dbraw/zinc/63/35/76/542633576.db2.gz	LHADWXJYUXRXHN-VQTJNVASSA-N	1	1	352.482	2.077	20	30		FEEDMO
CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1c[nH+]c(N(C)C)n1C	ZINC000083738689	542704419	/nfs/dbraw/zinc/70/44/19/542704419.db2.gz	URIKVHXQZANTBH-UHFFFAOYSA-N	1	1	354.458	2.478	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1	ZINC000084859978	542722199	/nfs/dbraw/zinc/72/21/99/542722199.db2.gz	WLMFAWDNVMUADR-QGZVFWFLSA-N	1	1	353.378	2.264	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+](C)C[C@@H](C)c2ccccc2)CC1	ZINC000091554702	542812582	/nfs/dbraw/zinc/81/25/82/542812582.db2.gz	NXGUWFMYAZWEDY-UYAOXDASSA-N	1	1	356.514	2.414	20	30		FEEDMO
COc1ccc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)cc1OCCCC#N	ZINC000092189161	542848316	/nfs/dbraw/zinc/84/83/16/542848316.db2.gz	LDLFGKIFDLVHNY-KRWDZBQOSA-N	1	1	372.469	2.367	20	30		FEEDMO
C[N@H+](Cc1cnc2ccc(C#N)cn12)C[C@@H](O)COCc1ccccc1	ZINC000092472244	542865309	/nfs/dbraw/zinc/86/53/09/542865309.db2.gz	SUCVTVRCVUWTMB-LJQANCHMSA-N	1	1	350.422	2.215	20	30		FEEDMO
N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CC2)c(F)c1	ZINC000101792449	543046261	/nfs/dbraw/zinc/04/62/61/543046261.db2.gz	RSVRWVOLFBXQKT-MRXNPFEDSA-N	1	1	371.460	2.013	20	30		FEEDMO
C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1	ZINC000102962938	543087076	/nfs/dbraw/zinc/08/70/76/543087076.db2.gz	BAPZZOSFWAHQEP-AWEZNQCLSA-N	1	1	360.433	2.264	20	30		FEEDMO
N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCC[C@H]1CC(N)=O)CCC2	ZINC000103471732	543109521	/nfs/dbraw/zinc/10/95/21/543109521.db2.gz	MUYRELBUKQIVGQ-LBPRGKRZSA-N	1	1	360.483	2.167	20	30		FEEDMO
CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000103477827	543111288	/nfs/dbraw/zinc/11/12/88/543111288.db2.gz	USEHIGQORFHIKR-HOTGVXAUSA-N	1	1	358.490	2.209	20	30		FEEDMO
CCn1cnnc1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1	ZINC000103477827	543111290	/nfs/dbraw/zinc/11/12/90/543111290.db2.gz	USEHIGQORFHIKR-HOTGVXAUSA-N	1	1	358.490	2.209	20	30		FEEDMO
C#CCOc1cccc(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)c1	ZINC000108606931	543297114	/nfs/dbraw/zinc/29/71/14/543297114.db2.gz	IDNGKHNQSWHRIP-KRWDZBQOSA-N	1	1	371.481	2.408	20	30		FEEDMO
CC(C)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1	ZINC000108609651	543297244	/nfs/dbraw/zinc/29/72/44/543297244.db2.gz	GGOKPGHXOMDOJK-OAHLLOKOSA-N	1	1	374.510	2.429	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2SCCC#N)C1	ZINC000108611363	543298182	/nfs/dbraw/zinc/29/81/82/543298182.db2.gz	FMAFKFRJBSZSTD-OAHLLOKOSA-N	1	1	374.510	2.479	20	30		FEEDMO
COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC([C@H](C)O)CC1	ZINC000111288368	543392781	/nfs/dbraw/zinc/39/27/81/543392781.db2.gz	AZPNYIQAWHUYFV-HOTGVXAUSA-N	1	1	359.470	2.423	20	30		FEEDMO
C[NH+](C)CCCOc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1	ZINC000111995986	543426929	/nfs/dbraw/zinc/42/69/29/543426929.db2.gz	GBOIAVNBHKTRHR-UHFFFAOYSA-N	1	1	360.439	2.085	20	30		FEEDMO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(CC(F)(F)C(F)F)CC2)cc1	ZINC000114490908	543521647	/nfs/dbraw/zinc/52/16/47/543521647.db2.gz	HAGSYUKYXZVYDQ-UHFFFAOYSA-N	1	1	372.366	2.405	20	30		FEEDMO
N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(c3nnc4ccccn43)CC2)cc1	ZINC000115532676	543571554	/nfs/dbraw/zinc/57/15/54/543571554.db2.gz	WWJVVPIJIDQWFC-GOSISDBHSA-N	1	1	360.421	2.007	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000115538617	543571998	/nfs/dbraw/zinc/57/19/98/543571998.db2.gz	VATAPYDJUIBMRO-QGTPRVQTSA-N	1	1	356.470	2.101	20	30		FEEDMO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1	ZINC000115538617	543572001	/nfs/dbraw/zinc/57/20/01/543572001.db2.gz	VATAPYDJUIBMRO-QGTPRVQTSA-N	1	1	356.470	2.101	20	30		FEEDMO
C=CC[C@@H](C)NC(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC	ZINC000117004010	543621035	/nfs/dbraw/zinc/62/10/35/543621035.db2.gz	GCHRNJZIWXTLIK-CQSZACIVSA-N	1	1	360.458	2.169	20	30		FEEDMO
C[C@@H]1C[N@H+](CC2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)C[C@H](C)O1	ZINC000118894248	543660778	/nfs/dbraw/zinc/66/07/78/543660778.db2.gz	VWOIDZKMBNDRNM-IYBDPMFKSA-N	1	1	374.489	2.150	20	30		FEEDMO
C[C@@]1(CNS(=O)(=O)c2ccc(C#N)nc2)CCC[N@H+]1Cc1ccccc1	ZINC000119720500	543671358	/nfs/dbraw/zinc/67/13/58/543671358.db2.gz	XNXSLPAHDJTMRE-IBGZPJMESA-N	1	1	370.478	2.286	20	30		FEEDMO
C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1	ZINC000122818261	543725652	/nfs/dbraw/zinc/72/56/52/543725652.db2.gz	OQLUZDFGBPBMDR-BEFAXECRSA-N	1	1	362.433	2.276	20	30		FEEDMO
Cc1ccc(NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1Cl	ZINC000125453383	543882824	/nfs/dbraw/zinc/88/28/24/543882824.db2.gz	JRVIQZFROGXBJF-UHFFFAOYSA-N	1	1	360.849	2.329	20	30		FEEDMO
COc1cc(C[N@H+]2CCCN(c3ncccc3C#N)CC2)cc2c1OCO2	ZINC000129634124	544121416	/nfs/dbraw/zinc/12/14/16/544121416.db2.gz	HIBMKOLBNPEMQW-UHFFFAOYSA-N	1	1	366.421	2.403	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1	ZINC000131821659	544208218	/nfs/dbraw/zinc/20/82/18/544208218.db2.gz	HDNNGMVYVCBUIF-SFHVURJKSA-N	1	1	371.485	2.425	20	30		FEEDMO
CCOc1ccnc(N2CCC[N@@H+](CCOc3ccc(C#N)cc3)CC2)n1	ZINC000135780727	544360803	/nfs/dbraw/zinc/36/08/03/544360803.db2.gz	XQKDBDAXXIIXFJ-UHFFFAOYSA-N	1	1	367.453	2.338	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C#N)cc1F	ZINC000136325752	544371291	/nfs/dbraw/zinc/37/12/91/544371291.db2.gz	BCZKMGNQXUOXDH-HNNXBMFYSA-N	1	1	360.433	2.407	20	30		FEEDMO
CC(C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCS(C)(=O)=O	ZINC000137059623	544383961	/nfs/dbraw/zinc/38/39/61/544383961.db2.gz	FFQAYDQQTXWCCJ-UHFFFAOYSA-N	1	1	371.890	2.295	20	30		FEEDMO
CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CCS(C)(=O)=O	ZINC000137059623	544383962	/nfs/dbraw/zinc/38/39/62/544383962.db2.gz	FFQAYDQQTXWCCJ-UHFFFAOYSA-N	1	1	371.890	2.295	20	30		FEEDMO
CN1CC[NH+]([C@H]2CCCCN(C(=O)c3c(F)cc(C#N)cc3F)C2)CC1	ZINC000150982666	544493266	/nfs/dbraw/zinc/49/32/66/544493266.db2.gz	PRBVYSNPAFKWAL-HNNXBMFYSA-N	1	1	362.424	2.079	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)nc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000151447291	544542621	/nfs/dbraw/zinc/54/26/21/544542621.db2.gz	CTKHTNXLOWVAJL-WOJBJXKFSA-N	1	1	364.449	2.363	20	30		FEEDMO
CC[C@@H](NC(=O)c1ccc(C#N)nc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000151447291	544542627	/nfs/dbraw/zinc/54/26/27/544542627.db2.gz	CTKHTNXLOWVAJL-WOJBJXKFSA-N	1	1	364.449	2.363	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1	ZINC000151604175	544561486	/nfs/dbraw/zinc/56/14/86/544561486.db2.gz	UDERPVMFBQIDPP-MRXNPFEDSA-N	1	1	366.387	2.320	20	30		FEEDMO
C[C@H](C(=O)N[C@@H]1CCCN(c2ccccc2C#N)C1)[NH+]1CCSCC1	ZINC000152408392	544649141	/nfs/dbraw/zinc/64/91/41/544649141.db2.gz	BKXUBXWGCPNVBR-NVXWUHKLSA-N	1	1	358.511	2.081	20	30		FEEDMO
C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1	ZINC000153046843	544727350	/nfs/dbraw/zinc/72/73/50/544727350.db2.gz	NAUBFGDNDJAAHK-HNNXBMFYSA-N	1	1	351.516	2.286	20	30		FEEDMO
C[C@@H](NC(=O)C[N@@H+](C)CCCc1[nH]nc(N)c1C#N)c1ccc(Cl)cc1	ZINC000153295875	544757065	/nfs/dbraw/zinc/75/70/65/544757065.db2.gz	YXAXDUHWCWSKJJ-GFCCVEGCSA-N	1	1	374.876	2.259	20	30		FEEDMO
CCN(CC)C(=O)C1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000153617360	544798431	/nfs/dbraw/zinc/79/84/31/544798431.db2.gz	NUWXZLNOPJPGEH-LJQANCHMSA-N	1	1	368.481	2.244	20	30		FEEDMO
CC(C)Oc1ccc(NCc2cnc(N3CC[NH+](C)CC3)nc2)cc1C#N	ZINC000181530075	327734444	/nfs/dbraw/zinc/73/44/44/327734444.db2.gz	YEEKZICVROVVHD-UHFFFAOYSA-N	1	1	366.469	2.499	20	30		FEEDMO
C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(C#N)c(O)c3)cn2)CC1	ZINC000189014942	328123577	/nfs/dbraw/zinc/12/35/77/328123577.db2.gz	XHKSXHYINNGFRD-UHFFFAOYSA-N	1	1	352.394	2.384	20	30		FEEDMO
Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](C)[N@H+]3CCC[C@H](C)C3)CC2)o1	ZINC000189102649	328128817	/nfs/dbraw/zinc/12/88/17/328128817.db2.gz	JOEASFQFWUNKHS-LSDHHAIUSA-N	1	1	373.501	2.308	20	30		FEEDMO
COC[C@H]1C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)O1	ZINC000189402685	328145944	/nfs/dbraw/zinc/14/59/44/328145944.db2.gz	WQAUSQGIJJSALS-CHWSQXEVSA-N	1	1	363.483	2.173	20	30		FEEDMO
COC[C@H]1C[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H](C)O1	ZINC000189402685	328145945	/nfs/dbraw/zinc/14/59/45/328145945.db2.gz	WQAUSQGIJJSALS-CHWSQXEVSA-N	1	1	363.483	2.173	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC([C@H]4CCCO4)CC3)C2=O)cc1	ZINC000190079562	328186549	/nfs/dbraw/zinc/18/65/49/328186549.db2.gz	VXIQRSVWOSVGAQ-QZTJIDSGSA-N	1	1	353.422	2.081	20	30		FEEDMO
CCC[N@H+]1CC[C@H](CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1	ZINC000193785715	328394951	/nfs/dbraw/zinc/39/49/51/328394951.db2.gz	ABCGJIRNHZSQCC-MRXNPFEDSA-N	1	1	373.476	2.261	20	30		FEEDMO
CS(=O)(=O)Nc1cccc2c1CC[N@H+](CCOc1ccccc1C#N)C2	ZINC000193790796	328395265	/nfs/dbraw/zinc/39/52/65/328395265.db2.gz	QXVQDZNZBFUHJM-UHFFFAOYSA-N	1	1	371.462	2.367	20	30		FEEDMO
CS(=O)(=O)Nc1cccc2c1CC[N@@H+](CCOc1ccccc1C#N)C2	ZINC000193790796	328395266	/nfs/dbraw/zinc/39/52/66/328395266.db2.gz	QXVQDZNZBFUHJM-UHFFFAOYSA-N	1	1	371.462	2.367	20	30		FEEDMO
CNC(=O)[C@H](C)C[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000081554411	325183784	/nfs/dbraw/zinc/18/37/84/325183784.db2.gz	HSENENNJYNPXLK-GFCCVEGCSA-N	1	1	362.499	2.141	20	30		FEEDMO
CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)CCCc2[nH]nc(N)c2C#N)c1	ZINC000089942880	325343913	/nfs/dbraw/zinc/34/39/13/325343913.db2.gz	YTHGPNYYHQERKD-LBPRGKRZSA-N	1	1	372.498	2.477	20	30		FEEDMO
CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1	ZINC000104714254	325543104	/nfs/dbraw/zinc/54/31/04/325543104.db2.gz	PWXMCVLJURTMKG-AWEZNQCLSA-N	1	1	358.442	2.024	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc(C#N)nc3)CC2)oc1C	ZINC000115381221	325954726	/nfs/dbraw/zinc/95/47/26/325954726.db2.gz	DGPAOMKBTGEYGW-UHFFFAOYSA-N	1	1	353.426	2.200	20	30		FEEDMO
C[C@@H](c1cccnc1)N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000118836557	326106341	/nfs/dbraw/zinc/10/63/41/326106341.db2.gz	YIYQRFVZDSLQCY-FXAWDEMLSA-N	1	1	366.465	2.072	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1C#N	ZINC000119208043	326137903	/nfs/dbraw/zinc/13/79/03/326137903.db2.gz	BNWFQMVDUXKOMG-CZUORRHYSA-N	1	1	370.453	2.025	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H](CC(C)C)C3)CC2)o1	ZINC000119369304	326154628	/nfs/dbraw/zinc/15/46/28/326154628.db2.gz	BDSXQPNQSUMQHA-QGZVFWFLSA-N	1	1	373.501	2.261	20	30		FEEDMO
C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1nc(-c2ccc(F)c(F)c2)no1	ZINC000121388640	326335277	/nfs/dbraw/zinc/33/52/77/326335277.db2.gz	RQWJKIKPHXTVTP-UHFFFAOYSA-N	1	1	373.367	2.256	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000171623960	327149191	/nfs/dbraw/zinc/14/91/91/327149191.db2.gz	JJJVOZWALGWZKG-ZBFHGGJFSA-N	1	1	364.453	2.303	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000171623960	327149192	/nfs/dbraw/zinc/14/91/92/327149192.db2.gz	JJJVOZWALGWZKG-ZBFHGGJFSA-N	1	1	364.453	2.303	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](n2cncn2)C1	ZINC000171702446	327156063	/nfs/dbraw/zinc/15/60/63/327156063.db2.gz	ZDQQVHQHFMNABJ-WFASDCNBSA-N	1	1	358.833	2.467	20	30		FEEDMO
C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](n2cncn2)C1	ZINC000171702446	327156065	/nfs/dbraw/zinc/15/60/65/327156065.db2.gz	ZDQQVHQHFMNABJ-WFASDCNBSA-N	1	1	358.833	2.467	20	30		FEEDMO
Cc1ccc(N2CCC(NS(=O)(=O)c3ccc(F)c(C#N)c3)CC2)[nH+]c1	ZINC000173210619	327241636	/nfs/dbraw/zinc/24/16/36/327241636.db2.gz	HFCKBHXLKCLUNX-UHFFFAOYSA-N	1	1	374.441	2.348	20	30		FEEDMO
COc1ccc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C#N	ZINC000174264242	327316186	/nfs/dbraw/zinc/31/61/86/327316186.db2.gz	HMRYZZHHNKLHGD-HXUWFJFHSA-N	1	1	351.450	2.076	20	30		FEEDMO
COc1ccc(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1C#N	ZINC000174264242	327316187	/nfs/dbraw/zinc/31/61/87/327316187.db2.gz	HMRYZZHHNKLHGD-HXUWFJFHSA-N	1	1	351.450	2.076	20	30		FEEDMO
C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C/c2ccc(C#N)cc2)CC1	ZINC000264371963	329015683	/nfs/dbraw/zinc/01/56/83/329015683.db2.gz	CXVZEGQOBHEHRN-XTXLJPNXSA-N	1	1	352.482	2.200	20	30		FEEDMO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2[nH]ncc21	ZINC000268164451	329392224	/nfs/dbraw/zinc/39/22/24/329392224.db2.gz	QSHOARMAOSDVIV-QGZVFWFLSA-N	1	1	351.454	2.292	20	30		FEEDMO
Cc1cc(N2CCC(Nc3nccc(C#N)c3[N+](=O)[O-])CC2)nc(C)[nH+]1	ZINC000268531877	329431616	/nfs/dbraw/zinc/43/16/16/329431616.db2.gz	XJADAHDZVUWZND-UHFFFAOYSA-N	1	1	353.386	2.349	20	30		FEEDMO
N#Cc1ccncc1C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1	ZINC000553977004	674297866	/nfs/dbraw/zinc/29/78/66/674297866.db2.gz	LXXQXGQGWWNRGY-KRWDZBQOSA-N	1	1	352.463	2.301	20	30		FEEDMO
N#Cc1ccncc1C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1	ZINC000553977004	674297869	/nfs/dbraw/zinc/29/78/69/674297869.db2.gz	LXXQXGQGWWNRGY-KRWDZBQOSA-N	1	1	352.463	2.301	20	30		FEEDMO
C#C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCOC)C1)c1ccc(Cl)cc1F	ZINC000805136225	674321937	/nfs/dbraw/zinc/32/19/37/674321937.db2.gz	AWQYRMQCQOCMKJ-CZUORRHYSA-N	1	1	353.825	2.173	20	30		FEEDMO
C#CCn1ccc(C[N@H+](CCOC)C[C@H](O)Cc2cccc(Cl)c2)n1	ZINC000805754648	674352236	/nfs/dbraw/zinc/35/22/36/674352236.db2.gz	YLNZDGXOZIZOEA-LJQANCHMSA-N	1	1	361.873	2.222	20	30		FEEDMO
C#CCn1ccc(C[N@@H+](CCOC)C[C@H](O)Cc2cccc(Cl)c2)n1	ZINC000805754648	674352239	/nfs/dbraw/zinc/35/22/39/674352239.db2.gz	YLNZDGXOZIZOEA-LJQANCHMSA-N	1	1	361.873	2.222	20	30		FEEDMO
Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1	ZINC000155499307	545533614	/nfs/dbraw/zinc/53/36/14/545533614.db2.gz	NBGUAQDXOIXQFA-QGZVFWFLSA-N	1	1	356.470	2.289	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1	ZINC000155713038	545561476	/nfs/dbraw/zinc/56/14/76/545561476.db2.gz	UMXPHUANEUNNEI-CQSZACIVSA-N	1	1	352.398	2.010	20	30		FEEDMO
C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1	ZINC000155713038	545561479	/nfs/dbraw/zinc/56/14/79/545561479.db2.gz	UMXPHUANEUNNEI-CQSZACIVSA-N	1	1	352.398	2.010	20	30		FEEDMO
N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1	ZINC000156445351	545627958	/nfs/dbraw/zinc/62/79/58/545627958.db2.gz	KCRIPQKGOXHFAG-NSHDSACASA-N	1	1	373.400	2.340	20	30		FEEDMO
N#Cc1ccccc1S(=O)(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1	ZINC000157203953	545713825	/nfs/dbraw/zinc/71/38/25/545713825.db2.gz	YXZXUJYZSIWLJR-GOSISDBHSA-N	1	1	369.490	2.401	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1	ZINC000158868292	545902034	/nfs/dbraw/zinc/90/20/34/545902034.db2.gz	FLSJFAHDOGXALV-SJORKVTESA-N	1	1	364.534	2.363	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@H](C)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1	ZINC000158868292	545902037	/nfs/dbraw/zinc/90/20/37/545902037.db2.gz	FLSJFAHDOGXALV-SJORKVTESA-N	1	1	364.534	2.363	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1C#N	ZINC000160180505	546014311	/nfs/dbraw/zinc/01/43/11/546014311.db2.gz	COIZGDVALQONMI-OAHLLOKOSA-N	1	1	372.469	2.132	20	30		FEEDMO
C[N@H+]1CCC[C@H](CNS(=O)(=O)CC2(C#N)CC2)[C@@H]1c1cccs1	ZINC000165670653	546153746	/nfs/dbraw/zinc/15/37/46/546153746.db2.gz	FZHIIRVBKZILJT-UKRRQHHQSA-N	1	1	353.513	2.354	20	30		FEEDMO
C=CC[NH+]1CCC(NC(=O)N[C@H](c2n[nH]c(C)n2)c2ccccc2)CC1	ZINC000171737887	546223733	/nfs/dbraw/zinc/22/37/33/546223733.db2.gz	RHKRDECCCLYPHT-KRWDZBQOSA-N	1	1	354.458	2.152	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCN(c2cnccn2)CC1)CC1CCCCC1	ZINC000171963512	546231448	/nfs/dbraw/zinc/23/14/48/546231448.db2.gz	UYCXHADTWPJZMT-UHFFFAOYSA-N	1	1	357.502	2.194	20	30		FEEDMO
C=CC[NH+]1CCC(N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1	ZINC000173398279	546280473	/nfs/dbraw/zinc/28/04/73/546280473.db2.gz	DNPJLJDPRJYFNZ-OAHLLOKOSA-N	1	1	351.516	2.238	20	30		FEEDMO
C#CCOc1ccc(F)cc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO	ZINC000173785813	546286185	/nfs/dbraw/zinc/28/61/85/546286185.db2.gz	IWIYVRPKQXGCSP-MRXNPFEDSA-N	1	1	363.433	2.196	20	30		FEEDMO
C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000174927275	546305077	/nfs/dbraw/zinc/30/50/77/546305077.db2.gz	AGIKSNAREPUWGJ-HXUWFJFHSA-N	1	1	353.510	2.312	20	30		FEEDMO
C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1	ZINC000174927275	546305079	/nfs/dbraw/zinc/30/50/79/546305079.db2.gz	AGIKSNAREPUWGJ-HXUWFJFHSA-N	1	1	353.510	2.312	20	30		FEEDMO
C#CCN1CCC(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1	ZINC000174927275	546305084	/nfs/dbraw/zinc/30/50/84/546305084.db2.gz	AGIKSNAREPUWGJ-HXUWFJFHSA-N	1	1	353.510	2.312	20	30		FEEDMO
N#Cc1ccc(OCCNC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1	ZINC000175807355	546354464	/nfs/dbraw/zinc/35/44/64/546354464.db2.gz	MYJLCAZKBPYIMD-UHFFFAOYSA-N	1	1	370.478	2.356	20	30		FEEDMO
N#Cc1ccc(OCCNC(=O)NCC[N@H+]2CCc3sccc3C2)cc1	ZINC000175807355	546354467	/nfs/dbraw/zinc/35/44/67/546354467.db2.gz	MYJLCAZKBPYIMD-UHFFFAOYSA-N	1	1	370.478	2.356	20	30		FEEDMO
C[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCC[C@@H]1S(C)(=O)=O	ZINC000177010074	546523182	/nfs/dbraw/zinc/52/31/82/546523182.db2.gz	MVODRSQEMIDXTA-KBPBESRZSA-N	1	1	369.512	2.236	20	30		FEEDMO
N#Cc1ccc(CS(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c(F)c1	ZINC000481017988	561222940	/nfs/dbraw/zinc/22/29/40/561222940.db2.gz	DJTYFXKOEPBUBF-HNNXBMFYSA-N	1	1	351.447	2.134	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1C(F)(F)F	ZINC000177665326	546663127	/nfs/dbraw/zinc/66/31/27/546663127.db2.gz	UMOOYHPNJCKSPU-ZDUSSCGKSA-N	1	1	371.384	2.212	20	30		FEEDMO
C=CC[NH+]1CCC(N[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1	ZINC000177908632	546705971	/nfs/dbraw/zinc/70/59/71/546705971.db2.gz	MDBAHTDSDBDSSC-CQSZACIVSA-N	1	1	352.500	2.400	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)CCO1	ZINC000178164441	546750743	/nfs/dbraw/zinc/75/07/43/546750743.db2.gz	RLWCKGCDUBXCSO-MRXNPFEDSA-N	1	1	371.481	2.427	20	30		FEEDMO
CCCN(C(=O)Cn1cnc(C#N)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000178496678	546803649	/nfs/dbraw/zinc/80/36/49/546803649.db2.gz	MYWJPIHLYSSMFQ-SFHVURJKSA-N	1	1	366.469	2.053	20	30		FEEDMO
C[C@](C#N)(NC(=O)C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1)C1CC1	ZINC000481622333	561237534	/nfs/dbraw/zinc/23/75/34/561237534.db2.gz	GEOJEMMSYDEEGV-LJQANCHMSA-N	1	1	359.445	2.004	20	30		FEEDMO
C=CCCS(=O)(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000179898191	547025660	/nfs/dbraw/zinc/02/56/60/547025660.db2.gz	LKKZLROZKQNVKZ-QZTJIDSGSA-N	1	1	350.484	2.469	20	30		FEEDMO
C=CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1	ZINC000179898191	547025665	/nfs/dbraw/zinc/02/56/65/547025665.db2.gz	LKKZLROZKQNVKZ-QZTJIDSGSA-N	1	1	350.484	2.469	20	30		FEEDMO
C=CCNC(=O)CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1	ZINC000180706213	547163847	/nfs/dbraw/zinc/16/38/47/547163847.db2.gz	YROSQSZHTNZALJ-UHFFFAOYSA-N	1	1	370.453	2.013	20	30		FEEDMO
C=CCNC(=O)CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1	ZINC000180706213	547163852	/nfs/dbraw/zinc/16/38/52/547163852.db2.gz	YROSQSZHTNZALJ-UHFFFAOYSA-N	1	1	370.453	2.013	20	30		FEEDMO
N#Cc1ccc(CC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1	ZINC000180879266	547200450	/nfs/dbraw/zinc/20/04/50/547200450.db2.gz	DYJKFBAISNRIMC-OAQYLSRUSA-N	1	1	363.461	2.374	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cn1	ZINC000180954771	547218508	/nfs/dbraw/zinc/21/85/08/547218508.db2.gz	CARPZDOXDUYLTC-INIZCTEOSA-N	1	1	354.435	2.127	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F	ZINC000483084292	561266793	/nfs/dbraw/zinc/26/67/93/561266793.db2.gz	DKJBVOFIKAOSDT-CZUORRHYSA-N	1	1	373.375	2.263	20	30		FEEDMO
C[C@H]([NH2+][C@H](CO)c1ccccc1OC(F)(F)F)C(=O)NC1(C#N)CCC1	ZINC000483096459	561267183	/nfs/dbraw/zinc/26/71/83/561267183.db2.gz	DIQKWIGSHZQKTG-WCQYABFASA-N	1	1	371.359	2.159	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CC[C@](C)(C(N)=O)C1	ZINC000483285623	561273032	/nfs/dbraw/zinc/27/30/32/561273032.db2.gz	OUFKLGUCHLJJDY-BUXKBTBVSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@H+]1CC[C@](C)(C(N)=O)C1	ZINC000483285623	561273033	/nfs/dbraw/zinc/27/30/33/561273033.db2.gz	OUFKLGUCHLJJDY-BUXKBTBVSA-N	1	1	374.510	2.413	20	30		FEEDMO
N#Cc1cccc(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1	ZINC000181573696	547339223	/nfs/dbraw/zinc/33/92/23/547339223.db2.gz	QRQIACYWQGKYFH-HXUWFJFHSA-N	1	1	364.449	2.124	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(F)cc2F)CC1	ZINC000181583785	547339914	/nfs/dbraw/zinc/33/99/14/547339914.db2.gz	BCEDNODVAXJVIZ-KBXCAEBGSA-N	1	1	364.440	2.308	20	30		FEEDMO
C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1	ZINC000181665573	547355559	/nfs/dbraw/zinc/35/55/59/547355559.db2.gz	OFOVXGAMPPBOHL-JYJNAYRXSA-N	1	1	372.469	2.153	20	30		FEEDMO
CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1cccc(S(N)(=O)=O)c1	ZINC000181749492	547373287	/nfs/dbraw/zinc/37/32/87/547373287.db2.gz	GSTROJFXKJYUTI-KRWDZBQOSA-N	1	1	359.451	2.455	20	30		FEEDMO
CN1CCN([C@@H]2CCCC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1	ZINC000182907713	547571258	/nfs/dbraw/zinc/57/12/58/547571258.db2.gz	YQYHDBUTBHIUEI-HXUWFJFHSA-N	1	1	356.514	2.429	20	30		FEEDMO
N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](CO)c1ccccc1	ZINC000182926158	547574083	/nfs/dbraw/zinc/57/40/83/547574083.db2.gz	NCKSIRFNKJHSLR-SFHVURJKSA-N	1	1	361.405	2.006	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1	ZINC000183186076	547617536	/nfs/dbraw/zinc/61/75/36/547617536.db2.gz	UHVUIRRNVBRNGH-IXDOHACOSA-N	1	1	358.511	2.189	20	30		FEEDMO
COc1cccc([C@H]2[C@@H](NC(=O)C3(C#N)CCOCC3)CC[N@H+]2C2CC2)c1	ZINC000183266263	547630803	/nfs/dbraw/zinc/63/08/03/547630803.db2.gz	QXJBJRZXPITBAW-OALUTQOASA-N	1	1	369.465	2.410	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1	ZINC000185797458	548036888	/nfs/dbraw/zinc/03/68/88/548036888.db2.gz	PPTPWQZJCOLYAL-MRXNPFEDSA-N	1	1	363.483	2.110	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000186742259	548184008	/nfs/dbraw/zinc/18/40/08/548184008.db2.gz	BTBOJKVYPRWGDQ-CQSZACIVSA-N	1	1	361.490	2.424	20	30		FEEDMO
N#Cc1ccc(N2CC[C@H]([N@H+]3CCSC4(CCOCC4)C3)C2=O)cc1	ZINC000186810273	548198210	/nfs/dbraw/zinc/19/82/10/548198210.db2.gz	YBBXBBRSKYWCOH-KRWDZBQOSA-N	1	1	357.479	2.262	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1	ZINC000186938033	548223605	/nfs/dbraw/zinc/22/36/05/548223605.db2.gz	PUQYXUPQGNBHFZ-LJQANCHMSA-N	1	1	361.461	2.250	20	30		FEEDMO
CCN(CCC#N)C(=O)C[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C	ZINC000189955498	548315392	/nfs/dbraw/zinc/31/53/92/548315392.db2.gz	AWMMNZZDUBSOII-HTZLVSCSSA-N	1	1	356.514	2.495	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(Br)cc1OC	ZINC000190449712	548325509	/nfs/dbraw/zinc/32/55/09/548325509.db2.gz	LCDVDHVVOIDWMI-SNVBAGLBSA-N	1	1	370.247	2.120	20	30		FEEDMO
C=CCCOCCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1	ZINC000190620513	548330179	/nfs/dbraw/zinc/33/01/79/548330179.db2.gz	JIRAKLRDQDYHKS-LJQANCHMSA-N	1	1	361.486	2.169	20	30		FEEDMO
C=CC[NH+]1CCC(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)CC1	ZINC000192628250	548368529	/nfs/dbraw/zinc/36/85/29/548368529.db2.gz	BEVSBEJUNACEPJ-UHFFFAOYSA-N	1	1	350.484	2.329	20	30		FEEDMO
COCC[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1	ZINC000193346754	548385747	/nfs/dbraw/zinc/38/57/47/548385747.db2.gz	ZWWCXUBWCNNYPZ-IBGZPJMESA-N	1	1	372.513	2.203	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)C1	ZINC000194539200	548496699	/nfs/dbraw/zinc/49/66/99/548496699.db2.gz	ATHLRPZLSVHGMK-SFHVURJKSA-N	1	1	369.465	2.324	20	30		FEEDMO
CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)C1	ZINC000194539200	548496705	/nfs/dbraw/zinc/49/67/05/548496705.db2.gz	ATHLRPZLSVHGMK-SFHVURJKSA-N	1	1	369.465	2.324	20	30		FEEDMO
N#Cc1ccc(C[N@@H+]2CCCN(Cc3ncnn3CC(F)F)CC2)cc1	ZINC000486803910	561357069	/nfs/dbraw/zinc/35/70/69/561357069.db2.gz	PUSJYMNNZOGPCC-UHFFFAOYSA-N	1	1	360.412	2.123	20	30		FEEDMO
COCc1nocc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1	ZINC000487205452	561366021	/nfs/dbraw/zinc/36/60/21/561366021.db2.gz	BPUQEULIQLKWKN-UHFFFAOYSA-N	1	1	354.410	2.109	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000245437605	548919757	/nfs/dbraw/zinc/91/97/57/548919757.db2.gz	DXLMWUSSTACRHI-LSDHHAIUSA-N	1	1	359.430	2.065	20	30		FEEDMO
C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000245437605	548919763	/nfs/dbraw/zinc/91/97/63/548919763.db2.gz	DXLMWUSSTACRHI-LSDHHAIUSA-N	1	1	359.430	2.065	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1	ZINC000245615078	548958732	/nfs/dbraw/zinc/95/87/32/548958732.db2.gz	MLOGZEVVRPGFPH-TZIWHRDSSA-N	1	1	352.434	2.241	20	30		FEEDMO
N#Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cc1	ZINC000245615078	548958734	/nfs/dbraw/zinc/95/87/34/548958734.db2.gz	MLOGZEVVRPGFPH-TZIWHRDSSA-N	1	1	352.434	2.241	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000245900445	549015310	/nfs/dbraw/zinc/01/53/10/549015310.db2.gz	SCAYGSURZXQGDK-VQIMIIECSA-N	1	1	358.461	2.409	20	30		FEEDMO
CCc1nsc(N2CCC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)CC2)n1	ZINC000245952667	549026782	/nfs/dbraw/zinc/02/67/82/549026782.db2.gz	BJQQHTRUABVWCZ-MRXNPFEDSA-N	1	1	357.483	2.218	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CC[C@@H](Cc3ccccc3)C2)CC1	ZINC000245997802	549033819	/nfs/dbraw/zinc/03/38/19/549033819.db2.gz	ISJMWIRWMQGQQA-LEWJYISDSA-N	1	1	368.525	2.243	20	30		FEEDMO
C[C@@H]1CN(C[C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2C#N)C[C@H](C)O1	ZINC000246090620	549049591	/nfs/dbraw/zinc/04/95/91/549049591.db2.gz	GGKMXPJMHGUNHI-ZIFCJYIRSA-N	1	1	370.497	2.460	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@@H+](CCC)[C@H]1CCS(=O)(=O)C1	ZINC000246155685	549064883	/nfs/dbraw/zinc/06/48/83/549064883.db2.gz	BRXUSFARZKOJRV-ROUUACIJSA-N	1	1	367.511	2.054	20	30		FEEDMO
C=CCc1ccccc1OC[C@@H](O)C[N@H+](CCC)[C@H]1CCS(=O)(=O)C1	ZINC000246155685	549064886	/nfs/dbraw/zinc/06/48/86/549064886.db2.gz	BRXUSFARZKOJRV-ROUUACIJSA-N	1	1	367.511	2.054	20	30		FEEDMO
C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1	ZINC000246292724	549098659	/nfs/dbraw/zinc/09/86/59/549098659.db2.gz	VIOKMERERRAKSV-JKSUJKDBSA-N	1	1	356.470	2.070	20	30		FEEDMO
N#Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1F	ZINC000246764507	549206356	/nfs/dbraw/zinc/20/63/56/549206356.db2.gz	YIGXVGVUARGFBZ-UGSOOPFHSA-N	1	1	363.458	2.335	20	30		FEEDMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@@H](C)CCC[C@H]3C)CC2)o1	ZINC000246999572	549261305	/nfs/dbraw/zinc/26/13/05/549261305.db2.gz	TVBUDMAUFQQEBP-LSDHHAIUSA-N	1	1	359.474	2.014	20	30		FEEDMO
CC(C)[C@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC[N@H+]1C	ZINC000489372089	561409286	/nfs/dbraw/zinc/40/92/86/561409286.db2.gz	KXEZWJUMCHTBJA-GOSISDBHSA-N	1	1	356.470	2.466	20	30		FEEDMO
C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1	ZINC000489406150	561410241	/nfs/dbraw/zinc/41/02/41/561410241.db2.gz	RUKGHCZBONLVRP-LJQANCHMSA-N	1	1	357.498	2.380	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1	ZINC000248648994	549476187	/nfs/dbraw/zinc/47/61/87/549476187.db2.gz	RDNGEKVEMAXIMO-VQIMIIECSA-N	1	1	371.462	2.291	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1	ZINC000248648994	549476193	/nfs/dbraw/zinc/47/61/93/549476193.db2.gz	RDNGEKVEMAXIMO-VQIMIIECSA-N	1	1	371.462	2.291	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000248823540	549506818	/nfs/dbraw/zinc/50/68/18/549506818.db2.gz	LPSSPJLBBWBLLF-IFXJQAMLSA-N	1	1	373.453	2.496	20	30		FEEDMO
CC[N@@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCCC[C@H]1C	ZINC000249382997	549586097	/nfs/dbraw/zinc/58/60/97/549586097.db2.gz	PJPVJNOTSNERMA-QAPCUYQASA-N	1	1	373.501	2.404	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@H](NCC(=O)NC2(C#N)CCCCC2)[C@@H](C)C1	ZINC000249455824	549593285	/nfs/dbraw/zinc/59/32/85/549593285.db2.gz	PMTPLFHHRGRTDD-ROUUACIJSA-N	1	1	364.534	2.056	20	30		FEEDMO
C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)[C@@H](C(N)=O)C1	ZINC000249560165	549605720	/nfs/dbraw/zinc/60/57/20/549605720.db2.gz	LJIMTMYPTHHUJP-SWLSCSKDSA-N	1	1	374.510	2.413	20	30		FEEDMO
C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(F)cc1	ZINC000489831789	561420021	/nfs/dbraw/zinc/42/00/21/561420021.db2.gz	ASJVEVKOWRGPKH-KRWDZBQOSA-N	1	1	365.405	2.418	20	30		FEEDMO
C=C[C@@H](CC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1	ZINC000252801225	549678739	/nfs/dbraw/zinc/67/87/39/549678739.db2.gz	ACFKMIJDHZVMLA-HKUYNNGSSA-N	1	1	355.482	2.111	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C(=O)OC)C2)c(OC)c1	ZINC000263880453	549950399	/nfs/dbraw/zinc/95/03/99/549950399.db2.gz	LLRPPUWNRZEXAI-DLBZAZTESA-N	1	1	363.454	2.048	20	30		FEEDMO
C#CCN(CC)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1	ZINC000263956626	549959901	/nfs/dbraw/zinc/95/99/01/549959901.db2.gz	GLWKGOAVOIOSOI-UHFFFAOYSA-N	1	1	373.497	2.341	20	30		FEEDMO
COCC[N@@H+](C)CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1	ZINC000264139789	549983850	/nfs/dbraw/zinc/98/38/50/549983850.db2.gz	XMDIHFIUJJNAGN-UHFFFAOYSA-N	1	1	374.485	2.079	20	30		FEEDMO
C=CCCO[C@H](C)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1	ZINC000264208631	549992423	/nfs/dbraw/zinc/99/24/23/549992423.db2.gz	WFQPDBVZZWFVIS-GOSISDBHSA-N	1	1	361.486	2.114	20	30		FEEDMO
N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12	ZINC000264790742	550001496	/nfs/dbraw/zinc/00/14/96/550001496.db2.gz	VZXDLOBJWIQVPK-HOCLYGCPSA-N	1	1	372.494	2.374	20	30		FEEDMO
C=CCNC(=O)c1ccc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1	ZINC000264929170	550003598	/nfs/dbraw/zinc/00/35/98/550003598.db2.gz	YKIXUXPDRCYMHT-UHFFFAOYSA-N	1	1	361.449	2.191	20	30		FEEDMO
CCCC[N@@H+](C)CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1	ZINC000491052621	561442357	/nfs/dbraw/zinc/44/23/57/561442357.db2.gz	MOQMJWYWBXZVTN-UHFFFAOYSA-N	1	1	361.465	2.261	20	30		FEEDMO
CCOCCC[N@H+]1CC[C@@H](NC(=O)NCC#Cc2ccccc2)[C@H](C)C1	ZINC000265156402	550007531	/nfs/dbraw/zinc/00/75/31/550007531.db2.gz	CZJSOGKYCFOBJE-UYAOXDASSA-N	1	1	357.498	2.474	20	30		FEEDMO
COCCOCC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1	ZINC000268354590	550053335	/nfs/dbraw/zinc/05/33/35/550053335.db2.gz	RXUJBKBXESDTFU-FQEVSTJZSA-N	1	1	361.486	2.206	20	30		FEEDMO
COCCOCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1	ZINC000268354590	550053338	/nfs/dbraw/zinc/05/33/38/550053338.db2.gz	RXUJBKBXESDTFU-FQEVSTJZSA-N	1	1	361.486	2.206	20	30		FEEDMO
CC(C)OCCOC[C@H](O)C[N@@H+](C)CCCOc1cccc(C#N)c1	ZINC000268642424	550098112	/nfs/dbraw/zinc/09/81/12/550098112.db2.gz	DVAGGDODQHNQKL-GOSISDBHSA-N	1	1	350.459	2.061	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1C#N	ZINC000269411862	550192331	/nfs/dbraw/zinc/19/23/31/550192331.db2.gz	ZWTAXRIZPDVACL-SJORKVTESA-N	1	1	370.453	2.027	20	30		FEEDMO
CCOC(=O)Nc1ccc(NC(=O)N2CC[NH+](C3CC3)CC2)cc1C#N	ZINC000269798992	550226271	/nfs/dbraw/zinc/22/62/71/550226271.db2.gz	AFNSYLVMBJLFMS-UHFFFAOYSA-N	1	1	357.414	2.439	20	30		FEEDMO
C[C@@]1(CCCO)CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000271213293	550354177	/nfs/dbraw/zinc/35/41/77/550354177.db2.gz	WLBMXEPROYHZLO-FQEVSTJZSA-N	1	1	367.453	2.309	20	30		FEEDMO
C[C@@]1(CCCO)CCC[N@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1	ZINC000271213293	550354180	/nfs/dbraw/zinc/35/41/80/550354180.db2.gz	WLBMXEPROYHZLO-FQEVSTJZSA-N	1	1	367.453	2.309	20	30		FEEDMO
C=CC[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CC1	ZINC000271391163	550371523	/nfs/dbraw/zinc/37/15/23/550371523.db2.gz	JVMBRPFWEIZFBW-UHFFFAOYSA-N	1	1	366.259	2.154	20	30		FEEDMO
C=CC[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CC1	ZINC000271391163	550371526	/nfs/dbraw/zinc/37/15/26/550371526.db2.gz	JVMBRPFWEIZFBW-UHFFFAOYSA-N	1	1	366.259	2.154	20	30		FEEDMO
C=CC[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)CCc1ccco1	ZINC000272323263	550437791	/nfs/dbraw/zinc/43/77/91/550437791.db2.gz	UUXGUUJWYMYUHX-UHFFFAOYSA-N	1	1	350.440	2.037	20	30		FEEDMO
CCCNC(=O)C[C@@H](C(N)=O)[N@@H+](CCC)Cc1ccccc1C(C)(C)C#N	ZINC000272779163	550470376	/nfs/dbraw/zinc/47/03/76/550470376.db2.gz	XTVGIXZAXHXILE-SFHVURJKSA-N	1	1	372.513	2.470	20	30		FEEDMO
CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(=O)NCCCC#N)c1	ZINC000273131239	550486455	/nfs/dbraw/zinc/48/64/55/550486455.db2.gz	QTDQRSGLSVWHNE-UHFFFAOYSA-N	1	1	353.426	2.413	20	30		FEEDMO
C[N@@H+](CCO)C1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1	ZINC000273948818	550516694	/nfs/dbraw/zinc/51/66/94/550516694.db2.gz	HHGVIMTWCZVOGF-UHFFFAOYSA-N	1	1	370.375	2.497	20	30		FEEDMO
C[C@H](CO)[N@@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C[C@H](C)O	ZINC000276188576	550577340	/nfs/dbraw/zinc/57/73/40/550577340.db2.gz	LKFXPGVWDZPFRT-ILXRZTDVSA-N	1	1	365.499	2.083	20	30		FEEDMO
C[C@H](CO)[N@H+](CC(=O)Nc1ccccc1S[C@@H](C)CC#N)C[C@H](C)O	ZINC000276188576	550577341	/nfs/dbraw/zinc/57/73/41/550577341.db2.gz	LKFXPGVWDZPFRT-ILXRZTDVSA-N	1	1	365.499	2.083	20	30		FEEDMO
C=CCCN(C)C(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1	ZINC000276313284	550577774	/nfs/dbraw/zinc/57/77/74/550577774.db2.gz	UQOHYHLONYZQJB-GOSISDBHSA-N	1	1	358.486	2.101	20	30		FEEDMO
N#Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c(Cl)c1	ZINC000277461130	550673234	/nfs/dbraw/zinc/67/32/34/550673234.db2.gz	IURDGWSNRWTXDK-AWEZNQCLSA-N	1	1	360.845	2.283	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000277637431	550695135	/nfs/dbraw/zinc/69/51/35/550695135.db2.gz	BUSATSJTUREFDX-SFHVURJKSA-N	1	1	372.494	2.358	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1	ZINC000277637431	550695136	/nfs/dbraw/zinc/69/51/36/550695136.db2.gz	BUSATSJTUREFDX-SFHVURJKSA-N	1	1	372.494	2.358	20	30		FEEDMO
C=CC[C@@H]1[N@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CCCC1(C)C	ZINC000277702495	550703973	/nfs/dbraw/zinc/70/39/73/550703973.db2.gz	HVZTXWMIRKOSEJ-SFHVURJKSA-N	1	1	373.497	2.234	20	30		FEEDMO
C#CC[NH+]1CCC(c2nc(CCNc3ccccc3[N+](=O)[O-])no2)CC1	ZINC000277864343	550723028	/nfs/dbraw/zinc/72/30/28/550723028.db2.gz	JZOYCGKXZHMHCV-UHFFFAOYSA-N	1	1	355.398	2.445	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(OCC#N)c1	ZINC000278509997	550793801	/nfs/dbraw/zinc/79/38/01/550793801.db2.gz	MVDYPRHEMAGXCD-OAHLLOKOSA-N	1	1	358.442	2.306	20	30		FEEDMO
CCC[N@@H+](CC(=O)N(C)C)Cc1cn(CCC#N)nc1-c1ccncc1	ZINC000278835405	550827329	/nfs/dbraw/zinc/82/73/29/550827329.db2.gz	AHMVTYNXKGKUEO-UHFFFAOYSA-N	1	1	354.458	2.159	20	30		FEEDMO
C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C	ZINC000278982972	550843026	/nfs/dbraw/zinc/84/30/26/550843026.db2.gz	ZKHWDZNWUZQYJR-AWEZNQCLSA-N	1	1	359.474	2.044	20	30		FEEDMO
N#CCCn1cc(C[N@@H+]2CCCC3(C2)OCCO3)c(-c2ccncc2)n1	ZINC000279444881	550890826	/nfs/dbraw/zinc/89/08/26/550890826.db2.gz	RXZCKSDIJRBWOF-UHFFFAOYSA-N	1	1	353.426	2.198	20	30		FEEDMO
N#CCCn1cc(C[N@H+]2CCCC3(C2)OCCO3)c(-c2ccncc2)n1	ZINC000279444881	550890827	/nfs/dbraw/zinc/89/08/27/550890827.db2.gz	RXZCKSDIJRBWOF-UHFFFAOYSA-N	1	1	353.426	2.198	20	30		FEEDMO
Cc1cccc(CC2(O)CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c1	ZINC000280237461	550973706	/nfs/dbraw/zinc/97/37/06/550973706.db2.gz	ASVOKUPYQCCINL-FQEVSTJZSA-N	1	1	357.498	2.419	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH2+][C@H](CO)c1ccccc1OC(F)(F)F)C1CC1	ZINC000280494425	551000174	/nfs/dbraw/zinc/00/01/74/551000174.db2.gz	MMYRKNFUOUKOSN-CJNGLKHVSA-N	1	1	371.359	2.017	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@@H]1CNc1nc2c(c(C#N)c1C#N)CCCCCC2	ZINC000280705563	551023310	/nfs/dbraw/zinc/02/33/10/551023310.db2.gz	KPRPBTUCVMJHCW-HNNXBMFYSA-N	1	1	352.486	2.142	20	30		FEEDMO
Cc1oc(C#N)cc1C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1	ZINC000280760421	551029565	/nfs/dbraw/zinc/02/95/65/551029565.db2.gz	NHWOQQLUUJXANN-UHFFFAOYSA-N	1	1	366.421	2.029	20	30		FEEDMO
N#Cc1ccc([C@@H](O)C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)cc1	ZINC000280902298	551044255	/nfs/dbraw/zinc/04/42/55/551044255.db2.gz	RGPGMQOHANGREF-FSSWDIPSSA-N	1	1	363.461	2.177	20	30		FEEDMO
C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1=O	ZINC000281122914	551066099	/nfs/dbraw/zinc/06/60/99/551066099.db2.gz	BKVCOPAHMUZKNA-RBUKOAKNSA-N	1	1	355.482	2.144	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@H+](CCCO)Cc3ccccn3)C2=O)cc1	ZINC000281129807	551066492	/nfs/dbraw/zinc/06/64/92/551066492.db2.gz	YDRAPRZVDYHSKO-HXUWFJFHSA-N	1	1	364.449	2.333	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@@H]([N@@H+](CCCO)Cc3ccccn3)C2=O)cc1	ZINC000281129807	551066494	/nfs/dbraw/zinc/06/64/94/551066494.db2.gz	YDRAPRZVDYHSKO-HXUWFJFHSA-N	1	1	364.449	2.333	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@H](O)c2ccccc2Br)C1=O	ZINC000281231056	551076093	/nfs/dbraw/zinc/07/60/93/551076093.db2.gz	FKSAVEFNVNPPCE-GJZGRUSLSA-N	1	1	353.260	2.201	20	30		FEEDMO
C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)c2ccccc2Br)C1=O	ZINC000281231056	551076095	/nfs/dbraw/zinc/07/60/95/551076095.db2.gz	FKSAVEFNVNPPCE-GJZGRUSLSA-N	1	1	353.260	2.201	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1	ZINC000281248682	551078090	/nfs/dbraw/zinc/07/80/90/551078090.db2.gz	UXFOZFHAAYUCFT-LJQANCHMSA-N	1	1	374.510	2.285	20	30		FEEDMO
CNC(=O)[C@]1(C)CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1	ZINC000281263555	551079031	/nfs/dbraw/zinc/07/90/31/551079031.db2.gz	VOIJGMMUVZZECU-OXQOHEQNSA-N	1	1	356.470	2.088	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)C1=O	ZINC000281500481	551105466	/nfs/dbraw/zinc/10/54/66/551105466.db2.gz	XZLFUFIJULRGQC-GOEBONIOSA-N	1	1	372.387	2.164	20	30		FEEDMO
CCC[C@H]1CN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[N@H+]1CCOC	ZINC000281644676	551124792	/nfs/dbraw/zinc/12/47/92/551124792.db2.gz	RIGAZHUZNKDLMC-PMACEKPBSA-N	1	1	368.481	2.200	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1C	ZINC000281879445	551152349	/nfs/dbraw/zinc/15/23/49/551152349.db2.gz	TUKIRUSWJVCPGB-RDJZCZTQSA-N	1	1	355.442	2.356	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2	ZINC000281939435	551160240	/nfs/dbraw/zinc/16/02/40/551160240.db2.gz	XETYXTRKQIDRQG-BEFAXECRSA-N	1	1	371.481	2.448	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2	ZINC000281939435	551160242	/nfs/dbraw/zinc/16/02/42/551160242.db2.gz	XETYXTRKQIDRQG-BEFAXECRSA-N	1	1	371.481	2.448	20	30		FEEDMO
C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCOCC)CC1	ZINC000282183303	551191587	/nfs/dbraw/zinc/19/15/87/551191587.db2.gz	FPTZFVXQGXFNCT-UHFFFAOYSA-N	1	1	366.469	2.161	20	30		FEEDMO
C=CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000282391299	551221857	/nfs/dbraw/zinc/22/18/57/551221857.db2.gz	VUWSADDUVRQZTB-INIZCTEOSA-N	1	1	371.460	2.429	20	30		FEEDMO
C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCOc1ccccc1C#N	ZINC000497584623	561504247	/nfs/dbraw/zinc/50/42/47/561504247.db2.gz	IAWFHGDCDMAFGI-CQSZACIVSA-N	1	1	359.451	2.277	20	30		FEEDMO
COc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)nn1	ZINC000283137201	551317487	/nfs/dbraw/zinc/31/74/87/551317487.db2.gz	NSUWMYPUHFRCBW-UHFFFAOYSA-N	1	1	351.410	2.208	20	30		FEEDMO
CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1sccc1C#N	ZINC000497987980	561513331	/nfs/dbraw/zinc/51/33/31/561513331.db2.gz	FEIILQPQUYZQAK-HNNXBMFYSA-N	1	1	363.483	2.499	20	30		FEEDMO
C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(C)Cc2cccc(C#N)c2)C1	ZINC000284360559	551532533	/nfs/dbraw/zinc/53/25/33/551532533.db2.gz	BHHVHWDOJBJWOT-INIZCTEOSA-N	1	1	370.497	2.143	20	30		FEEDMO
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N(C)Cc2ccc(C#N)cc2)C1	ZINC000284416094	551544404	/nfs/dbraw/zinc/54/44/04/551544404.db2.gz	XPBHMCOQQPVICM-CALCHBBNSA-N	1	1	370.497	2.001	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O	ZINC000498322471	561522115	/nfs/dbraw/zinc/52/21/15/561522115.db2.gz	MZFKRHKOEAIANL-UAFMIMERSA-N	1	1	361.482	2.017	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1[C@H]1CCC[C@H]1O	ZINC000498322471	561522116	/nfs/dbraw/zinc/52/21/16/561522116.db2.gz	MZFKRHKOEAIANL-UAFMIMERSA-N	1	1	361.482	2.017	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C)[N@@H+](CC)C[C@H]3C)cc2C1=O	ZINC000498585449	561529744	/nfs/dbraw/zinc/52/97/44/561529744.db2.gz	STRXPQFQBUHJQW-ZIAGYGMSSA-N	1	1	355.438	2.023	20	30		FEEDMO
CCN1CCN(C[C@@H](C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1	ZINC000285535197	551770994	/nfs/dbraw/zinc/77/09/94/551770994.db2.gz	BVMITLQGINOETE-IBGZPJMESA-N	1	1	369.557	2.390	20	30		FEEDMO
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000285702119	551797549	/nfs/dbraw/zinc/79/75/49/551797549.db2.gz	VZAVAIAXOBGIBC-UHFFFAOYSA-N	1	1	374.504	2.459	20	30		FEEDMO
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1	ZINC000285702119	551797550	/nfs/dbraw/zinc/79/75/50/551797550.db2.gz	VZAVAIAXOBGIBC-UHFFFAOYSA-N	1	1	374.504	2.459	20	30		FEEDMO
CCN1CC[NH+](Cc2ccccc2CNc2nc(C)cc(C#N)n2)CC1	ZINC000286075972	551845863	/nfs/dbraw/zinc/84/58/63/551845863.db2.gz	JKONDOZRVZUTNO-UHFFFAOYSA-N	1	1	350.470	2.406	20	30		FEEDMO
CCC[C@H]1CN(C(=O)C(=O)NCCCCC#N)CC[N@@H+]1Cc1ccccc1	ZINC000286816890	551929140	/nfs/dbraw/zinc/92/91/40/551929140.db2.gz	WNZGGJWZPULWES-IBGZPJMESA-N	1	1	370.497	2.310	20	30		FEEDMO
CCC[C@H]1CN(C(=O)C(=O)NCCCCC#N)CC[N@H+]1Cc1ccccc1	ZINC000286816890	551929142	/nfs/dbraw/zinc/92/91/42/551929142.db2.gz	WNZGGJWZPULWES-IBGZPJMESA-N	1	1	370.497	2.310	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1	ZINC000499497356	561552392	/nfs/dbraw/zinc/55/23/92/561552392.db2.gz	YCFJAPYKSJSZNX-GOSISDBHSA-N	1	1	364.515	2.111	20	30		FEEDMO
C=CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(/C=C\C)cc2OC)C1=O	ZINC000500019136	561564147	/nfs/dbraw/zinc/56/41/47/561564147.db2.gz	MVVXAKUXOOAGBL-DLCHJWGKSA-N	1	1	374.481	2.187	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O	ZINC000500351201	561570606	/nfs/dbraw/zinc/57/06/06/561570606.db2.gz	BHNUOHPRVASAAX-WTGUMLROSA-N	1	1	361.482	2.017	20	30		FEEDMO
C=CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C	ZINC000289724494	552368431	/nfs/dbraw/zinc/36/84/31/552368431.db2.gz	PQLFHMWZOCPYAR-QAPCUYQASA-N	1	1	371.533	2.492	20	30		FEEDMO
COc1ccc(C)cc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000290097135	552426857	/nfs/dbraw/zinc/42/68/57/552426857.db2.gz	XJWYBXNOEFLRLG-CQSZACIVSA-N	1	1	359.451	2.395	20	30		FEEDMO
CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1	ZINC000290400219	552473086	/nfs/dbraw/zinc/47/30/86/552473086.db2.gz	NDLMMXNSJIJZDO-GFCCVEGCSA-N	1	1	350.850	2.387	20	30		FEEDMO
C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C	ZINC000291068293	552582814	/nfs/dbraw/zinc/58/28/14/552582814.db2.gz	QJZLPOMQFBFNJC-IAGOWNOFSA-N	1	1	374.533	2.257	20	30		FEEDMO
N#C[C@]1(NC(=O)c2cc(C[NH+]3CCCC3)on2)CCc2ccccc2C1	ZINC000291676609	552649999	/nfs/dbraw/zinc/64/99/99/552649999.db2.gz	MJDZYZLNPKAGRC-FQEVSTJZSA-N	1	1	350.422	2.451	20	30		FEEDMO
C[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)CC[N@H+](C2CCC2)C1	ZINC000292089173	552692709	/nfs/dbraw/zinc/69/27/09/552692709.db2.gz	FDMSZWQZJWQDIW-MRXNPFEDSA-N	1	1	361.511	2.138	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H](C(=O)NC3CC3)c3ccccc3)C2)nc1	ZINC000292110511	552694873	/nfs/dbraw/zinc/69/48/73/552694873.db2.gz	HBFUMIWDYPHZDE-UYAOXDASSA-N	1	1	362.433	2.426	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CC[N@H+]([C@@H](C(=O)NC3CC3)c3ccccc3)C2)nc1	ZINC000292110511	552694874	/nfs/dbraw/zinc/69/48/74/552694874.db2.gz	HBFUMIWDYPHZDE-UYAOXDASSA-N	1	1	362.433	2.426	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(OC)c1	ZINC000292147859	552698462	/nfs/dbraw/zinc/69/84/62/552698462.db2.gz	NEANFMYYSNLOKG-NQIIRXRSSA-N	1	1	360.498	2.191	20	30		FEEDMO
C=CCc1ccc(OC[C@H](O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(OC)c1	ZINC000292147859	552698464	/nfs/dbraw/zinc/69/84/64/552698464.db2.gz	NEANFMYYSNLOKG-NQIIRXRSSA-N	1	1	360.498	2.191	20	30		FEEDMO
N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)C2)nc1	ZINC000292699937	552750701	/nfs/dbraw/zinc/75/07/01/552750701.db2.gz	QOWUHHMDTPLMME-ZWKOTPCHSA-N	1	1	369.469	2.133	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(OC)c1O	ZINC000292723547	552752744	/nfs/dbraw/zinc/75/27/44/552752744.db2.gz	FOIBRSOOGSXXJC-OAHLLOKOSA-N	1	1	355.394	2.329	20	30		FEEDMO
COc1cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc2c1OCCO2	ZINC000292751159	552755144	/nfs/dbraw/zinc/75/51/44/552755144.db2.gz	ILLQVUGNDYUNNE-INIZCTEOSA-N	1	1	367.405	2.386	20	30		FEEDMO
C[N@H+]1CCC[C@]2(CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1	ZINC000292968388	552775808	/nfs/dbraw/zinc/77/58/08/552775808.db2.gz	MCTZXLJDKQMHFE-FPOVZHCZSA-N	1	1	352.482	2.471	20	30		FEEDMO
C=CCC(F)(F)C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1	ZINC000293099831	552788783	/nfs/dbraw/zinc/78/87/83/552788783.db2.gz	BWLIHJBSFDUBGU-UHFFFAOYSA-N	1	1	351.397	2.153	20	30		FEEDMO
C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OC(C)C)cc1Cl	ZINC000293338229	552812807	/nfs/dbraw/zinc/81/28/07/552812807.db2.gz	JXORTBWAFWUIRD-UHFFFAOYSA-N	1	1	365.861	2.137	20	30		FEEDMO
C=CCN(CC=C)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C	ZINC000501728330	561604197	/nfs/dbraw/zinc/60/41/97/561604197.db2.gz	GHAJAFVZUONMTH-IEBWSBKVSA-N	1	1	355.482	2.214	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1	ZINC000502229308	561614766	/nfs/dbraw/zinc/61/47/66/561614766.db2.gz	HKPJLOCGNCNQHM-UHFFFAOYSA-N	1	1	359.445	2.221	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@]1(C#N)CC12CCCC2	ZINC000295785883	553059035	/nfs/dbraw/zinc/05/90/35/553059035.db2.gz	JONZPHKEHZCCKR-DYESRHJHSA-N	1	1	367.497	2.182	20	30		FEEDMO
C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000502448905	561618862	/nfs/dbraw/zinc/61/88/62/561618862.db2.gz	ZAEXHMPUKDJCLN-HNNXBMFYSA-N	1	1	373.478	2.349	20	30		FEEDMO
C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000502448905	561618863	/nfs/dbraw/zinc/61/88/63/561618863.db2.gz	ZAEXHMPUKDJCLN-HNNXBMFYSA-N	1	1	373.478	2.349	20	30		FEEDMO
CC[N@@H+](C)CCNC(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000502468600	561619182	/nfs/dbraw/zinc/61/91/82/561619182.db2.gz	DXRYYZRCPFOWRC-UHFFFAOYSA-N	1	1	370.413	2.053	20	30		FEEDMO
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CCC(N)=O)CC1	ZINC000502554552	561620904	/nfs/dbraw/zinc/62/09/04/561620904.db2.gz	QXGIHWICBTWLIN-GFCCVEGCSA-N	1	1	374.510	2.413	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)NCCCc1nc(-c2ccc(F)cc2)no1	ZINC000296871315	553223055	/nfs/dbraw/zinc/22/30/55/553223055.db2.gz	ZRFUHFBRYLIVHZ-UHFFFAOYSA-N	1	1	373.432	2.063	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1Cn1cnc2ccccc21	ZINC000296884820	553225088	/nfs/dbraw/zinc/22/50/88/553225088.db2.gz	LZRASSRRQADPIC-QGZVFWFLSA-N	1	1	353.470	2.165	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21	ZINC000297484320	553298335	/nfs/dbraw/zinc/29/83/35/553298335.db2.gz	MUUIWYAKUJCMPE-HSALFYBXSA-N	1	1	355.482	2.156	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1	ZINC000297509509	553301923	/nfs/dbraw/zinc/30/19/23/553301923.db2.gz	OYYMDWYJIDIQOA-UXHICEINSA-N	1	1	365.481	2.366	20	30		FEEDMO
C=CCCN(C)C(=O)C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000297894876	553354049	/nfs/dbraw/zinc/35/40/49/553354049.db2.gz	VUEHGIMDBOJTBI-LJQANCHMSA-N	1	1	357.498	2.392	20	30		FEEDMO
N#Cc1cccc(OCC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1	ZINC000298018069	553371923	/nfs/dbraw/zinc/37/19/23/553371923.db2.gz	DHQVJTRKKGCPNQ-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
C=CCN(CC=C)C(=O)C[NH2+][C@H](Cn1ccccc1=O)c1ccccc1	ZINC000503271242	561638752	/nfs/dbraw/zinc/63/87/52/561638752.db2.gz	UXBLCPUIKYVMRN-LJQANCHMSA-N	1	1	351.450	2.380	20	30		FEEDMO
COC(=O)c1ccc(C[N@H+](C)CC(=O)NCc2ccc(C#N)cc2)cc1	ZINC000298455708	553426828	/nfs/dbraw/zinc/42/68/28/553426828.db2.gz	IXKOQHMDQDVEKB-UHFFFAOYSA-N	1	1	351.406	2.093	20	30		FEEDMO
COC(=O)c1ccc(C[N@@H+](C)CC(=O)NCc2ccc(C#N)cc2)cc1	ZINC000298455708	553426829	/nfs/dbraw/zinc/42/68/29/553426829.db2.gz	IXKOQHMDQDVEKB-UHFFFAOYSA-N	1	1	351.406	2.093	20	30		FEEDMO
CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000503910660	561649811	/nfs/dbraw/zinc/64/98/11/561649811.db2.gz	OCLBMASPORXUEZ-YJBOKZPZSA-N	1	1	371.485	2.083	20	30		FEEDMO
CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000503910653	561649825	/nfs/dbraw/zinc/64/98/25/561649825.db2.gz	OCLBMASPORXUEZ-CRAIPNDOSA-N	1	1	371.485	2.083	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)COc2ccccc2C#N)C[C@H](C)O1	ZINC000299279209	553541656	/nfs/dbraw/zinc/54/16/56/553541656.db2.gz	BKKDXCWURLDNGG-SOLBZPMBSA-N	1	1	357.454	2.037	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)COc2ccccc2C#N)C[C@H](C)O1	ZINC000299279209	553541659	/nfs/dbraw/zinc/54/16/59/553541659.db2.gz	BKKDXCWURLDNGG-SOLBZPMBSA-N	1	1	357.454	2.037	20	30		FEEDMO
N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1	ZINC000504338696	561656473	/nfs/dbraw/zinc/65/64/73/561656473.db2.gz	NJKOFLJHOOBCMN-JKSUJKDBSA-N	1	1	371.460	2.156	20	30		FEEDMO
CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1C#N	ZINC000301394024	553647744	/nfs/dbraw/zinc/64/77/44/553647744.db2.gz	CXVIWUWZQTVQCH-OAHLLOKOSA-N	1	1	350.488	2.272	20	30		FEEDMO
Cn1cc(C#N)c(NC(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)n1	ZINC000602885483	553659890	/nfs/dbraw/zinc/65/98/90/553659890.db2.gz	FKDDYNLYLKAZIN-QGZVFWFLSA-N	1	1	352.442	2.072	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc(C#N)ccc1[N+](=O)[O-]	ZINC000302188608	553709521	/nfs/dbraw/zinc/70/95/21/553709521.db2.gz	AHEYASRLHDDZGU-OAHLLOKOSA-N	1	1	366.425	2.484	20	30		FEEDMO
C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1	ZINC000310823170	553754437	/nfs/dbraw/zinc/75/44/37/553754437.db2.gz	XMMNJRXZQIFNGI-DNVCBOLYSA-N	1	1	355.463	2.500	20	30		FEEDMO
O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O	ZINC000328660342	553803614	/nfs/dbraw/zinc/80/36/14/553803614.db2.gz	VFMOJBCONLAQFA-BBRMVZONSA-N	1	1	371.437	2.004	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)N2CCOCC2)C1	ZINC000328684869	553806623	/nfs/dbraw/zinc/80/66/23/553806623.db2.gz	PXGJUDLDSOAEEH-IEBWSBKVSA-N	1	1	374.529	2.436	20	30		FEEDMO
CC[N@H+]1CCC[C@@H](CNC(=O)NCc2cc(F)cc3c2OCOC3)C1	ZINC000328694014	553808160	/nfs/dbraw/zinc/80/81/60/553808160.db2.gz	FVZLMPGMLIRSKG-ZDUSSCGKSA-N	1	1	351.422	2.428	20	30		FEEDMO
O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)NC[C@H]1CCCC[N@H+]1C1CC1	ZINC000328745089	553816087	/nfs/dbraw/zinc/81/60/87/553816087.db2.gz	KSQMQVVIZDIHQG-CGTJXYLNSA-N	1	1	365.518	2.075	20	30		FEEDMO
C[C@H](CNC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)[N@@H+](C)C1CC1	ZINC000328773471	553820252	/nfs/dbraw/zinc/82/02/52/553820252.db2.gz	HLEYKAYDUMTWJK-CZUORRHYSA-N	1	1	373.453	2.250	20	30		FEEDMO
O=C(C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O)Nc1nc2c(s1)CCCC2	ZINC000328786136	553822165	/nfs/dbraw/zinc/82/21/65/553822165.db2.gz	KQNNWIHZSSFPNB-NWANDNLSSA-N	1	1	365.499	2.472	20	30		FEEDMO
O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O)Nc1nc2c(s1)CCCC2	ZINC000328786136	553822167	/nfs/dbraw/zinc/82/21/67/553822167.db2.gz	KQNNWIHZSSFPNB-NWANDNLSSA-N	1	1	365.499	2.472	20	30		FEEDMO
C[C@@H]1C(=O)NCCN1C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1	ZINC000328797698	553823251	/nfs/dbraw/zinc/82/32/51/553823251.db2.gz	WAGDORFJKYZPJJ-IUODEOHRSA-N	1	1	361.446	2.045	20	30		FEEDMO
CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)C1	ZINC000328861591	553834174	/nfs/dbraw/zinc/83/41/74/553834174.db2.gz	VLWQUURZMCYJOQ-HIFRSBDPSA-N	1	1	361.442	2.235	20	30		FEEDMO
O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N[C@@H]1CCCN(c2ccccc2F)C1=O	ZINC000328899323	553841338	/nfs/dbraw/zinc/84/13/38/553841338.db2.gz	XGBVMAHEQIOVTM-NUJGCVRESA-N	1	1	374.460	2.452	20	30		FEEDMO
O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[C@@H]1CCn2cncc2C1	ZINC000328903115	553842112	/nfs/dbraw/zinc/84/21/12/553842112.db2.gz	HLEQZGJLYDMGAW-NEWSRXKRSA-N	1	1	354.454	2.037	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1	ZINC000328913212	553843830	/nfs/dbraw/zinc/84/38/30/553843830.db2.gz	HZGOEGJDSWVNFE-SJORKVTESA-N	1	1	365.499	2.247	20	30		FEEDMO
COc1ccc([C@H]2OCC[C@@H]2NC(=O)C[N@@H+](C)[C@@H]2CCSC2)cn1	ZINC000328931338	553847228	/nfs/dbraw/zinc/84/72/28/553847228.db2.gz	BCMXBBMIPIMRMI-JKIFEVAISA-N	1	1	351.472	2.314	20	30		FEEDMO
O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)Nc1ccc2c(c1)OCO2	ZINC000328934390	553847821	/nfs/dbraw/zinc/84/78/21/553847821.db2.gz	FENPQCZSMCBKDR-BBRMVZONSA-N	1	1	371.437	2.479	20	30		FEEDMO
O=C(C[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)Nc1ccc2c(c1)OCO2	ZINC000328934390	553847823	/nfs/dbraw/zinc/84/78/23/553847823.db2.gz	FENPQCZSMCBKDR-BBRMVZONSA-N	1	1	371.437	2.479	20	30		FEEDMO
C[C@@H]1C[N@@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)C[C@H]1C(N)=O	ZINC000328950721	553851675	/nfs/dbraw/zinc/85/16/75/553851675.db2.gz	CIQWERJCPCZKMM-HZPDHXFCSA-N	1	1	366.506	2.081	20	30		FEEDMO
Cn1nccc1[C@H]1[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC(=O)N1C	ZINC000328981655	553857948	/nfs/dbraw/zinc/85/79/48/553857948.db2.gz	DSJKNXQALNWJRB-SZVBFZGTSA-N	1	1	373.501	2.446	20	30		FEEDMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C	ZINC000329006666	553863246	/nfs/dbraw/zinc/86/32/46/553863246.db2.gz	XWDKQDSDWMZMNG-RKVPGOIHSA-N	1	1	361.490	2.016	20	30		FEEDMO
CC1(C#N)CC[NH+](CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1	ZINC000506038310	561688250	/nfs/dbraw/zinc/68/82/50/561688250.db2.gz	ZOEWTUFEVKBXGE-MRXNPFEDSA-N	1	1	371.510	2.083	20	30		FEEDMO
Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC[N@@H+]1CCCOCC1	ZINC000329009507	553863950	/nfs/dbraw/zinc/86/39/50/553863950.db2.gz	OCMIENPLIVPORA-AWEZNQCLSA-N	1	1	353.488	2.372	20	30		FEEDMO
Cc1nc([C@H]2CCCOC2)sc1C(=O)NCC[N@H+]1CCCOCC1	ZINC000329009507	553863951	/nfs/dbraw/zinc/86/39/51/553863951.db2.gz	OCMIENPLIVPORA-AWEZNQCLSA-N	1	1	353.488	2.372	20	30		FEEDMO
CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1CC[NH+](C2CC2)CC1	ZINC000329047607	553871670	/nfs/dbraw/zinc/87/16/70/553871670.db2.gz	QFPLJAKGUJYMAV-GOSISDBHSA-N	1	1	358.486	2.021	20	30		FEEDMO
CC(=O)N1CCC(NC(=O)C[NH+]2CCC(c3nccs3)CC2)CC1	ZINC000329092526	553879073	/nfs/dbraw/zinc/87/90/73/553879073.db2.gz	ARSWKWSNLPJOFP-UHFFFAOYSA-N	1	1	350.488	2.290	20	30		FEEDMO
Cc1ncc(CNC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)s1	ZINC000329107408	553881462	/nfs/dbraw/zinc/88/14/62/553881462.db2.gz	HYFQBWQPFBYCAV-GASCZTMLSA-N	1	1	365.547	2.356	20	30		FEEDMO
CN1CCOC[C@@H]1C(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000329131674	553886479	/nfs/dbraw/zinc/88/64/79/553886479.db2.gz	OXKZILDVQOPEHC-NVXWUHKLSA-N	1	1	360.458	2.352	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C)C1	ZINC000329143583	553888494	/nfs/dbraw/zinc/88/84/94/553888494.db2.gz	VQTVPBGFEROIMR-SPUZQDLCSA-N	1	1	371.485	2.038	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCO1	ZINC000329162490	553893084	/nfs/dbraw/zinc/89/30/84/553893084.db2.gz	FVJHZXOTHLNQLK-MUQADHOPSA-N	1	1	363.506	2.216	20	30		FEEDMO
C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000329227679	553906699	/nfs/dbraw/zinc/90/66/99/553906699.db2.gz	IFHCHNJOZMLMSB-IXDOHACOSA-N	1	1	351.491	2.235	20	30		FEEDMO
C[C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H]1C	ZINC000329253734	553911588	/nfs/dbraw/zinc/91/15/88/553911588.db2.gz	ZIVXOAQSHVCBOJ-OWSLCNJRSA-N	1	1	365.518	2.481	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)[C@@H]2C1	ZINC000329257236	553912449	/nfs/dbraw/zinc/91/24/49/553912449.db2.gz	BVRVMEGRUOLSMM-KBAYOESNSA-N	1	1	362.518	2.108	20	30		FEEDMO
CC(=O)NC1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1	ZINC000329301605	553920934	/nfs/dbraw/zinc/92/09/34/553920934.db2.gz	MZKLUYCIWHOIAF-OOHWJJMZSA-N	1	1	366.506	2.373	20	30		FEEDMO
C[C@H](NC(=O)NCCc1cc(F)cc2c1OCOC2)C1=CC[N@@H+](C)CC1	ZINC000329338566	553928088	/nfs/dbraw/zinc/92/80/88/553928088.db2.gz	NESSNCFUJHLEIQ-ZDUSSCGKSA-N	1	1	363.433	2.389	20	30		FEEDMO
CC[C@@H]1CO[C@H](C)CN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C	ZINC000329356644	553931620	/nfs/dbraw/zinc/93/16/20/553931620.db2.gz	WHTOIDDKJQLSLT-KYHPRHEASA-N	1	1	363.506	2.216	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H](NC(=O)NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2	ZINC000329364019	553932225	/nfs/dbraw/zinc/93/22/25/553932225.db2.gz	ZWOZNFWQOIICIO-WZYMTQMTSA-N	1	1	360.506	2.235	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2	ZINC000329364019	553932230	/nfs/dbraw/zinc/93/22/30/553932230.db2.gz	ZWOZNFWQOIICIO-WZYMTQMTSA-N	1	1	360.506	2.235	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H](NC([O-])=[NH+]C1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2	ZINC000329364019	553932234	/nfs/dbraw/zinc/93/22/34/553932234.db2.gz	ZWOZNFWQOIICIO-WZYMTQMTSA-N	1	1	360.506	2.235	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])NC1C[C@H]3CCC[C@@H](C1)[N@H+]3C)CC2	ZINC000329364019	553932238	/nfs/dbraw/zinc/93/22/38/553932238.db2.gz	ZWOZNFWQOIICIO-WZYMTQMTSA-N	1	1	360.506	2.235	20	30		FEEDMO
CC(C)c1nnc2n1C[C@H]([NH+]=C([O-])NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2	ZINC000329364019	553932243	/nfs/dbraw/zinc/93/22/43/553932243.db2.gz	ZWOZNFWQOIICIO-WZYMTQMTSA-N	1	1	360.506	2.235	20	30		FEEDMO
CC[C@]1(C)CN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CCO1	ZINC000329417380	553942679	/nfs/dbraw/zinc/94/26/79/553942679.db2.gz	DKWLQKVYQHEXPA-KVSKMBFKSA-N	1	1	363.506	2.218	20	30		FEEDMO
Cc1nnc([C@H](C)NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)s1	ZINC000329440776	553947014	/nfs/dbraw/zinc/94/70/14/553947014.db2.gz	AFYVIAWMIJKRKM-PWNZVWSESA-N	1	1	367.519	2.395	20	30		FEEDMO
O=C(NCC[NH+]1CCSCC1)[C@H]1CSCN1C(=O)C1CCCC1	ZINC000329467434	553952030	/nfs/dbraw/zinc/95/20/30/553952030.db2.gz	WOOKTRQFKOAXAW-CQSZACIVSA-N	1	1	357.545	2.083	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](c4nnc[nH]4)C3)C2=O)cc1	ZINC000329468902	553952380	/nfs/dbraw/zinc/95/23/80/553952380.db2.gz	XRJFOKSYGYOBDV-WBVHZDCISA-N	1	1	350.426	2.051	20	30		FEEDMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCOCC2(CCC2)C1	ZINC000329564983	553968096	/nfs/dbraw/zinc/96/80/96/553968096.db2.gz	KHGINMWOXXZPTR-UHFFFAOYSA-N	1	1	365.518	2.438	20	30		FEEDMO
N#Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)nc2ccccc12	ZINC000329562774	553968281	/nfs/dbraw/zinc/96/82/81/553968281.db2.gz	GPEWYEVYOTURJA-IBGZPJMESA-N	1	1	354.479	2.726	20	30		FEEDMO
C[N@H+]1CCCC12CCN(C(=O)c1cnn(CC(=O)NC3CCCC3)c1)CC2	ZINC000329575409	553970141	/nfs/dbraw/zinc/97/01/41/553970141.db2.gz	OBCUSASRDZSVEC-UHFFFAOYSA-N	1	1	373.501	2.483	20	30		FEEDMO
CC[C@H](NC(=O)[C@@H]1CCC(=O)N1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000329585960	553972117	/nfs/dbraw/zinc/97/21/17/553972117.db2.gz	YHUJQQVHVGEWFX-BZSNNMDCSA-N	1	1	359.470	2.243	20	30		FEEDMO
CC[C@H](NC(=O)[C@@H]1CCC(=O)N1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000329585960	553972123	/nfs/dbraw/zinc/97/21/23/553972123.db2.gz	YHUJQQVHVGEWFX-BZSNNMDCSA-N	1	1	359.470	2.243	20	30		FEEDMO
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CCOC3(CCOCC3)C2)C1	ZINC000329591436	553973056	/nfs/dbraw/zinc/97/30/56/553973056.db2.gz	ZYFWTHRRMHRUSZ-IXDOHACOSA-N	1	1	351.491	2.045	20	30		FEEDMO
Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CCCC[C@H]([NH+]3CCCC3)C1)CC2	ZINC000329657547	553983263	/nfs/dbraw/zinc/98/32/63/553983263.db2.gz	NGKNJCVYSKKLBQ-IRXDYDNUSA-N	1	1	360.506	2.013	20	30		FEEDMO
Cc1ccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1	ZINC000329805032	554009207	/nfs/dbraw/zinc/00/92/07/554009207.db2.gz	MOALJBZMGKACKG-FUHWJXTLSA-N	1	1	358.486	2.150	20	30		FEEDMO
C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3C[C@H]4CC[C@@H](C3)O4)c2)CCO1	ZINC000329805325	554009306	/nfs/dbraw/zinc/00/93/06/554009306.db2.gz	KPYWRELIKJWNOA-ZYSHUDEJSA-N	1	1	359.470	2.185	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3C[C@H]4CC[C@@H](C3)O4)c2)CCO1	ZINC000329805325	554009308	/nfs/dbraw/zinc/00/93/08/554009308.db2.gz	KPYWRELIKJWNOA-ZYSHUDEJSA-N	1	1	359.470	2.185	20	30		FEEDMO
C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C3CCC(=O)CC3)cc2)CC1	ZINC000329818547	554011635	/nfs/dbraw/zinc/01/16/35/554011635.db2.gz	FVGFABDECIKSOE-UHFFFAOYSA-N	1	1	357.454	2.290	20	30		FEEDMO
CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CN1CCOCC1=O	ZINC000329836120	554015898	/nfs/dbraw/zinc/01/58/98/554015898.db2.gz	HRSBBYWSQGGYKB-GOSISDBHSA-N	1	1	373.497	2.275	20	30		FEEDMO
CC[C@H](NC(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)C1CCOCC1	ZINC000329873020	554022955	/nfs/dbraw/zinc/02/29/55/554022955.db2.gz	BVJCSNPUJCOQQZ-SFHVURJKSA-N	1	1	363.506	2.047	20	30		FEEDMO
CC[C@H](NC(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)C1CCOCC1	ZINC000329873020	554022957	/nfs/dbraw/zinc/02/29/57/554022957.db2.gz	BVJCSNPUJCOQQZ-SFHVURJKSA-N	1	1	363.506	2.047	20	30		FEEDMO
Cn1cc[nH+]c1CC1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1	ZINC000507286750	561723653	/nfs/dbraw/zinc/72/36/53/561723653.db2.gz	XXNQGPLUAPZCAW-FQEVSTJZSA-N	1	1	374.485	2.463	20	30		FEEDMO
Cc1ccc(C#N)c(N2CCC[C@H](C(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)C2)n1	ZINC000329920509	554031580	/nfs/dbraw/zinc/03/15/80/554031580.db2.gz	DZQAFUDGHJJUPB-MJGOQNOKSA-N	1	1	369.513	2.278	20	30		FEEDMO
COC1CCN(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1	ZINC000329923158	554032215	/nfs/dbraw/zinc/03/22/15/554032215.db2.gz	UHTNOPKEWHSRQW-UHFFFAOYSA-N	1	1	356.470	2.297	20	30		FEEDMO
COC1CCN(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1	ZINC000329923158	554032217	/nfs/dbraw/zinc/03/22/17/554032217.db2.gz	UHTNOPKEWHSRQW-UHFFFAOYSA-N	1	1	356.470	2.297	20	30		FEEDMO
CC(C)NC(=O)NC1(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCCCC1	ZINC000329922259	554032512	/nfs/dbraw/zinc/03/25/12/554032512.db2.gz	TWFDNANXEREGEI-INIZCTEOSA-N	1	1	350.507	2.298	20	30		FEEDMO
CC(C)NC(=O)NC1(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCCCC1	ZINC000329922259	554032515	/nfs/dbraw/zinc/03/25/15/554032515.db2.gz	TWFDNANXEREGEI-INIZCTEOSA-N	1	1	350.507	2.298	20	30		FEEDMO
CC(=O)N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1	ZINC000329933667	554034939	/nfs/dbraw/zinc/03/49/39/554034939.db2.gz	QEPRUYFIDVPNIQ-IPELMVKDSA-N	1	1	358.486	2.164	20	30		FEEDMO
Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CC1	ZINC000329958373	554038850	/nfs/dbraw/zinc/03/88/50/554038850.db2.gz	QOIVHOLKYRJIRF-BHYGNILZSA-N	1	1	350.438	2.479	20	30		FEEDMO
COCC[N@@H+]1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C[C@@H]1C	ZINC000330017797	554050201	/nfs/dbraw/zinc/05/02/01/554050201.db2.gz	RTGCGTDVVNVMNI-OOHWJJMZSA-N	1	1	351.491	2.091	20	30		FEEDMO
COCC[N@H+]1CCN(C(=O)C2CCC(NC(=O)C3CC3)CC2)C[C@@H]1C	ZINC000330017797	554050203	/nfs/dbraw/zinc/05/02/03/554050203.db2.gz	RTGCGTDVVNVMNI-OOHWJJMZSA-N	1	1	351.491	2.091	20	30		FEEDMO
C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2COCCO2)CC1	ZINC000330040812	554053535	/nfs/dbraw/zinc/05/35/35/554053535.db2.gz	FXPWFLDDNAFMJH-AEFFLSMTSA-N	1	1	353.507	2.292	20	30		FEEDMO
CC(C)(C)C1=CC[N@@H+](CCNC(=O)C2CCN(S(C)(=O)=O)CC2)CC1	ZINC000330093797	554063497	/nfs/dbraw/zinc/06/34/97/554063497.db2.gz	RZCSLCOCQUEPNG-UHFFFAOYSA-N	1	1	371.547	2.293	20	30		FEEDMO
CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)CC1	ZINC000330096299	554064011	/nfs/dbraw/zinc/06/40/11/554064011.db2.gz	XCWLLOQUQKDVIG-YZGWKJHDSA-N	1	1	369.513	2.157	20	30		FEEDMO
Cc1cscc1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000330174853	554078485	/nfs/dbraw/zinc/07/84/85/554078485.db2.gz	IOWURPRSKWFJGI-MRXNPFEDSA-N	1	1	365.499	2.226	20	30		FEEDMO
Cc1ccc(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1N1CCNC1=O	ZINC000330196843	554083063	/nfs/dbraw/zinc/08/30/63/554083063.db2.gz	QYVSROWOQSHVJV-RHSMWYFYSA-N	1	1	357.458	2.301	20	30		FEEDMO
COC1CCC(CNC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1	ZINC000330205999	554085250	/nfs/dbraw/zinc/08/52/50/554085250.db2.gz	CWLKESFJLNPMOR-HJOIGYKYSA-N	1	1	353.507	2.291	20	30		FEEDMO
CC(C)[N@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1	ZINC000330210280	554085615	/nfs/dbraw/zinc/08/56/15/554085615.db2.gz	CGGLIPKSGUUXQY-RTBURBONSA-N	1	1	366.550	2.084	20	30		FEEDMO
C[C@@H]1C[C@@H](CCNC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CCO1	ZINC000330231923	554089733	/nfs/dbraw/zinc/08/97/33/554089733.db2.gz	RGCNYJWKDIFREZ-ZACQAIPSSA-N	1	1	353.507	2.291	20	30		FEEDMO
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1Cc2ccccc2O1	ZINC000330239579	554090804	/nfs/dbraw/zinc/09/08/04/554090804.db2.gz	DVSHCYKCIREULM-YJBOKZPZSA-N	1	1	359.470	2.089	20	30		FEEDMO
CC[N@H+]1C[C@H](C)N(C(=O)NCc2cc(C)nc(N3CCCC3)n2)C[C@H]1C	ZINC000330258478	554094588	/nfs/dbraw/zinc/09/45/88/554094588.db2.gz	MLXQLYMBTFOIFR-CVEARBPZSA-N	1	1	360.506	2.214	20	30		FEEDMO
C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1	ZINC000330258578	554094787	/nfs/dbraw/zinc/09/47/87/554094787.db2.gz	RLMSOVFAEQYBAG-YRGVVPAESA-N	1	1	370.497	2.335	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1	ZINC000330276439	554097743	/nfs/dbraw/zinc/09/77/43/554097743.db2.gz	MXCQXNRUUKASBS-VKJFTORMSA-N	1	1	350.463	2.012	20	30		FEEDMO
CC1CCN(C(=O)C2CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)CC1	ZINC000330284091	554098814	/nfs/dbraw/zinc/09/88/14/554098814.db2.gz	XANNWFGQVFOJDS-QGZVFWFLSA-N	1	1	373.501	2.082	20	30		FEEDMO
Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC(=O)N1CCCCCC1	ZINC000330343380	554108321	/nfs/dbraw/zinc/10/83/21/554108321.db2.gz	BYFLIPGPKLKHOQ-UHFFFAOYSA-N	1	1	372.473	2.320	20	30		FEEDMO
C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000330387985	554114851	/nfs/dbraw/zinc/11/48/51/554114851.db2.gz	NBXXUJDUAJOVGU-IIAWOOMASA-N	1	1	370.544	2.057	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc(OC(F)F)nc2)C[C@H](C)O1	ZINC000330418025	554119188	/nfs/dbraw/zinc/11/91/88/554119188.db2.gz	BRDVYOWCVUYVQI-TXEJJXNPSA-N	1	1	358.389	2.270	20	30		FEEDMO
C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc(OC(F)F)nc2)C[C@H](C)O1	ZINC000330418025	554119189	/nfs/dbraw/zinc/11/91/89/554119189.db2.gz	BRDVYOWCVUYVQI-TXEJJXNPSA-N	1	1	358.389	2.270	20	30		FEEDMO
CN1CC[N@@H+](C)C[C@H]1CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1	ZINC000330552856	554137345	/nfs/dbraw/zinc/13/73/45/554137345.db2.gz	CLBHNGXMHNVBNW-CQSZACIVSA-N	1	1	363.462	2.464	20	30		FEEDMO
CCNC(=O)[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000330936748	554191162	/nfs/dbraw/zinc/19/11/62/554191162.db2.gz	SYUYGCOUGWSTMF-KCQAQPDRSA-N	1	1	352.504	2.159	20	30		FEEDMO
C=CCOc1ccc(CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1	ZINC000508406101	561761310	/nfs/dbraw/zinc/76/13/10/561761310.db2.gz	OHTTZTSFTORODN-INIZCTEOSA-N	1	1	361.486	2.238	20	30		FEEDMO
CNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1	ZINC000330972747	554195663	/nfs/dbraw/zinc/19/56/63/554195663.db2.gz	NHTNOGSOYLHKOG-UHFFFAOYSA-N	1	1	353.488	2.021	20	30		FEEDMO
CCS(=O)(=O)c1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)s1	ZINC000331012849	554200426	/nfs/dbraw/zinc/20/04/26/554200426.db2.gz	SUDPXDCMKYYIPK-CQSZACIVSA-N	1	1	373.544	2.228	20	30		FEEDMO
CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)NC(=O)Nc2ccc(C)cc2C)CC1	ZINC000331115517	554215173	/nfs/dbraw/zinc/21/51/73/554215173.db2.gz	KNYPPWVUSDKWDU-HNNXBMFYSA-N	1	1	374.485	2.202	20	30		FEEDMO
CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C)CC[N@H+]1C	ZINC000508577605	561766483	/nfs/dbraw/zinc/76/64/83/561766483.db2.gz	PVHBZWHRNZXDMV-KRWDZBQOSA-N	1	1	354.458	2.042	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1	ZINC000331175701	554225921	/nfs/dbraw/zinc/22/59/21/554225921.db2.gz	WXOCAOTWAADUES-ZIAGYGMSSA-N	1	1	367.490	2.401	20	30		FEEDMO
C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1	ZINC000331175701	554225922	/nfs/dbraw/zinc/22/59/22/554225922.db2.gz	WXOCAOTWAADUES-ZIAGYGMSSA-N	1	1	367.490	2.401	20	30		FEEDMO
COc1cccc(C[C@H](C)NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1	ZINC000331216492	554232539	/nfs/dbraw/zinc/23/25/39/554232539.db2.gz	DTCKWYIMAKDMBV-HOTGVXAUSA-N	1	1	363.502	2.317	20	30		FEEDMO
C=CCn1c(-c2ccccc2F)nnc1N1CC[NH+](CCOCC)CC1	ZINC000508931157	561778643	/nfs/dbraw/zinc/77/86/43/561778643.db2.gz	GTUJZCGQPVHPQI-UHFFFAOYSA-N	1	1	359.449	2.429	20	30		FEEDMO
C[C@H](C(=O)Nc1ccccc1C#N)N1CCC([N@H+]2CCO[C@H](C)C2)CC1	ZINC000332029121	554366623	/nfs/dbraw/zinc/36/66/23/554366623.db2.gz	HITSRBXPCUKXSN-HZPDHXFCSA-N	1	1	356.470	2.070	20	30		FEEDMO
C[C@@](C#N)(NC(=O)C[NH+]1CCC([C@H]2c3ccccc3NC2=O)CC1)C1CC1	ZINC000332719510	554502351	/nfs/dbraw/zinc/50/23/51/554502351.db2.gz	KKDUHZFMFOULEA-FPOVZHCZSA-N	1	1	366.465	2.243	20	30		FEEDMO
C=CCOC[C@@H]1NC(=O)N(C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O	ZINC000348573143	554688906	/nfs/dbraw/zinc/68/89/06/554688906.db2.gz	NAUSSXFCJHIFRR-SWDXFRIISA-N	1	1	369.465	2.305	20	30		FEEDMO
C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1	ZINC000359991562	554858158	/nfs/dbraw/zinc/85/81/58/554858158.db2.gz	DWXWACRMNBWOTK-JONQDZQNSA-N	1	1	351.491	2.302	20	30		FEEDMO
Cc1c(C(=O)NC2(C#N)CCCC2)nnn1-c1cccc2c1CC[N@H+](C)C2	ZINC000363006470	555008186	/nfs/dbraw/zinc/00/81/86/555008186.db2.gz	KKAVPYRODCPXDU-UHFFFAOYSA-N	1	1	364.453	2.130	20	30		FEEDMO
Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNc1ncc(C#N)cc1Cl	ZINC000363129198	555036920	/nfs/dbraw/zinc/03/69/20/555036920.db2.gz	CVPJWFGESVATMH-UHFFFAOYSA-N	1	1	373.892	2.403	20	30		FEEDMO
N#CCCn1ccc(=NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]1	ZINC000363424915	555102345	/nfs/dbraw/zinc/10/23/45/555102345.db2.gz	WDNDHBPXEWGPAC-GOSISDBHSA-N	1	1	366.469	2.830	20	30		FEEDMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1CN1CCCC1=O	ZINC000363524932	555128139	/nfs/dbraw/zinc/12/81/39/555128139.db2.gz	JGZKORXTNPEBRB-KRWDZBQOSA-N	1	1	354.454	2.364	20	30		FEEDMO
CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C	ZINC000363624662	555149730	/nfs/dbraw/zinc/14/97/30/555149730.db2.gz	JRCAWQNOZDPHPA-HZPDHXFCSA-N	1	1	367.519	2.197	20	30		FEEDMO
CS[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1N(C)C	ZINC000363689817	555164943	/nfs/dbraw/zinc/16/49/43/555164943.db2.gz	OQKIQYMRYJDMEP-QZTJIDSGSA-N	1	1	355.511	2.436	20	30		FEEDMO
CS[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1N(C)C	ZINC000363689817	555164945	/nfs/dbraw/zinc/16/49/45/555164945.db2.gz	OQKIQYMRYJDMEP-QZTJIDSGSA-N	1	1	355.511	2.436	20	30		FEEDMO
N#Cc1ccccc1OCC[N@H+]1CCCN(C(=O)c2ccncc2)CC1	ZINC000364016744	555233939	/nfs/dbraw/zinc/23/39/39/555233939.db2.gz	LBZDWZUGLIORCD-UHFFFAOYSA-N	1	1	350.422	2.180	20	30		FEEDMO
N#Cc1ccccc1OCC[N@@H+]1CCCN(C(=O)c2ccncc2)CC1	ZINC000364016744	555233941	/nfs/dbraw/zinc/23/39/41/555233941.db2.gz	LBZDWZUGLIORCD-UHFFFAOYSA-N	1	1	350.422	2.180	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[N@H+]([C@@H](C)CO)CC1	ZINC000364215957	555271861	/nfs/dbraw/zinc/27/18/61/555271861.db2.gz	QRJZNNSVINARKM-IRXDYDNUSA-N	1	1	365.543	2.040	20	30		FEEDMO
N#Cc1c(F)ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1Cl	ZINC000364329792	555292648	/nfs/dbraw/zinc/29/26/48/555292648.db2.gz	GHLFRUYHFGLRIJ-CQSZACIVSA-N	1	1	365.836	2.422	20	30		FEEDMO
N#Cc1c(F)ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1Cl	ZINC000364329792	555292649	/nfs/dbraw/zinc/29/26/49/555292649.db2.gz	GHLFRUYHFGLRIJ-CQSZACIVSA-N	1	1	365.836	2.422	20	30		FEEDMO
N#Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC([C@@H]4CCCOC4)CC3)C2=O)cc1	ZINC000364710927	555381513	/nfs/dbraw/zinc/38/15/13/555381513.db2.gz	OTIPIMMUNNSTJA-MJGOQNOKSA-N	1	1	367.449	2.329	20	30		FEEDMO
C[C@@H]1C[N@@H+](C2CCN(CCC(=O)Nc3sccc3C#N)CC2)CCO1	ZINC000364729576	555387274	/nfs/dbraw/zinc/38/72/74/555387274.db2.gz	IODHJOPKCYSWAA-CQSZACIVSA-N	1	1	362.499	2.133	20	30		FEEDMO
C[C@@H]1C[N@H+](C2CCN(CCC(=O)Nc3sccc3C#N)CC2)CCO1	ZINC000364729576	555387277	/nfs/dbraw/zinc/38/72/77/555387277.db2.gz	IODHJOPKCYSWAA-CQSZACIVSA-N	1	1	362.499	2.133	20	30		FEEDMO
CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1	ZINC000364983857	555456957	/nfs/dbraw/zinc/45/69/57/555456957.db2.gz	NRMFAFJCPWUUQR-JJYYRRLASA-N	1	1	353.466	2.079	20	30		FEEDMO
CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1	ZINC000364983857	555456961	/nfs/dbraw/zinc/45/69/61/555456961.db2.gz	NRMFAFJCPWUUQR-JJYYRRLASA-N	1	1	353.466	2.079	20	30		FEEDMO
N#CCN(CC#N)C(=O)[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1	ZINC000365105038	555486412	/nfs/dbraw/zinc/48/64/12/555486412.db2.gz	MGMCATJRPQCWLQ-QGZVFWFLSA-N	1	1	363.421	2.429	20	30		FEEDMO
N#CCN(CC#N)C(=O)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1	ZINC000365105038	555486414	/nfs/dbraw/zinc/48/64/14/555486414.db2.gz	MGMCATJRPQCWLQ-QGZVFWFLSA-N	1	1	363.421	2.429	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(C(=O)c3cc(Cl)cn3C)CC2)cc1C#N	ZINC000365254905	555523930	/nfs/dbraw/zinc/52/39/30/555523930.db2.gz	IPPOFTMWLXONOP-UHFFFAOYSA-N	1	1	359.861	2.237	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)c3cc(Cl)cn3C)CC2)cc1C#N	ZINC000365254905	555523932	/nfs/dbraw/zinc/52/39/32/555523932.db2.gz	IPPOFTMWLXONOP-UHFFFAOYSA-N	1	1	359.861	2.237	20	30		FEEDMO
C=CCN(C(=O)[C@@H]1CCCN1C(C)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000365258461	555524902	/nfs/dbraw/zinc/52/49/02/555524902.db2.gz	OSSHSCVPLAQSBK-UXHICEINSA-N	1	1	355.482	2.286	20	30		FEEDMO
Cn1cc[nH+]c1N1CCC(NC(=O)/C=C/c2ccc(OCC#N)cc2)CC1	ZINC000365420960	555571000	/nfs/dbraw/zinc/57/10/00/555571000.db2.gz	HJQNLHQBJOCQSD-QPJJXVBHSA-N	1	1	365.437	2.121	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)NCC1CCN(c2ccccc2C#N)CC1	ZINC000365575524	555612769	/nfs/dbraw/zinc/61/27/69/555612769.db2.gz	MBQWGCZYKDAMKF-GOSISDBHSA-N	1	1	355.486	2.168	20	30		FEEDMO
C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1	ZINC000365748489	555658728	/nfs/dbraw/zinc/65/87/28/555658728.db2.gz	HQZAICITZBTJKV-FQEVSTJZSA-N	1	1	367.493	2.029	20	30		FEEDMO
C[C@H]1C[C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C[N@H+]1C1CC1	ZINC000367154878	556002452	/nfs/dbraw/zinc/00/24/52/556002452.db2.gz	YCOWDMCVPVHGJS-JKSUJKDBSA-N	1	1	353.470	2.274	20	30		FEEDMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc(S(N)(=O)=O)ccc1C#N	ZINC000367326536	556019082	/nfs/dbraw/zinc/01/90/82/556019082.db2.gz	KPSBTXHNCWAILF-LIRRHRJNSA-N	1	1	370.478	2.138	20	30		FEEDMO
COCC[N@@H+]([C@H]1CCO[C@H]1C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O	ZINC000514838991	561982392	/nfs/dbraw/zinc/98/23/92/561982392.db2.gz	UDCJNTVWYLZFIA-ZYSHUDEJSA-N	1	1	357.454	2.179	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(OC)c(OC)c2)CC1	ZINC000367523730	556073453	/nfs/dbraw/zinc/07/34/53/556073453.db2.gz	GHWDUXLKYOPSBF-CQSZACIVSA-N	1	1	373.453	2.193	20	30		FEEDMO
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(OC)c(OC)c2)CC1	ZINC000367523730	556073456	/nfs/dbraw/zinc/07/34/56/556073456.db2.gz	GHWDUXLKYOPSBF-CQSZACIVSA-N	1	1	373.453	2.193	20	30		FEEDMO
C[C@H](N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ccccc1C#N	ZINC000368417261	556302259	/nfs/dbraw/zinc/30/22/59/556302259.db2.gz	QMESTDBXNWCCAR-PBWTXFEYSA-N	1	1	370.497	2.364	20	30		FEEDMO
C[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ccccc1C#N	ZINC000368417261	556302260	/nfs/dbraw/zinc/30/22/60/556302260.db2.gz	QMESTDBXNWCCAR-PBWTXFEYSA-N	1	1	370.497	2.364	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C[C@H]21	ZINC000368588664	556354986	/nfs/dbraw/zinc/35/49/86/556354986.db2.gz	GTYOYNBGAGDOMC-IEBWSBKVSA-N	1	1	368.481	2.266	20	30		FEEDMO
C=CCC1(C(=O)N2CCC3(C[C@@H]3C(=O)N3CC[NH+](C)CC3)CC2)CCC1	ZINC000368975968	556465600	/nfs/dbraw/zinc/46/56/00/556465600.db2.gz	ZJAHHTHUKBZJQN-QGZVFWFLSA-N	1	1	359.514	2.136	20	30		FEEDMO
C[N@H+]1CC[C@H](CNC(=O)N2CCO[C@H](C#N)C2)[C@H]1c1cccc(Cl)c1	ZINC000369403171	556592497	/nfs/dbraw/zinc/59/24/97/556592497.db2.gz	UNMNSGRFKPLFNM-DJIMGWMZSA-N	1	1	362.861	2.267	20	30		FEEDMO
Cn1cc([C@H]2[C@@H](CNC(=O)Nc3cccc(C#N)c3)CCC[N@H+]2C)cn1	ZINC000369425938	556597701	/nfs/dbraw/zinc/59/77/01/556597701.db2.gz	YBYOAFAHYGJOQX-CRAIPNDOSA-N	1	1	352.442	2.496	20	30		FEEDMO
CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C(=O)Nc1ccc(CC#N)cc1	ZINC000369523965	556619701	/nfs/dbraw/zinc/61/97/01/556619701.db2.gz	YBYZLEUHJQWRMW-ROUUACIJSA-N	1	1	354.454	2.166	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000516252637	562037624	/nfs/dbraw/zinc/03/76/24/562037624.db2.gz	JOYAYTZWFWGNHV-ZRNYENFQSA-N	1	1	358.482	2.109	20	30		FEEDMO
C=CCOCC[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1	ZINC000516586521	562049441	/nfs/dbraw/zinc/04/94/41/562049441.db2.gz	HPIXGAFNXYHHMN-UHFFFAOYSA-N	1	1	371.403	2.464	20	30		FEEDMO
C[NH+]1CCN([C@H]2CCCCN(C(=O)NCC3CCC(C#N)CC3)C2)CC1	ZINC000370248600	556821792	/nfs/dbraw/zinc/82/17/92/556821792.db2.gz	VLKYGBXMGZSKFP-ACBHZAAOSA-N	1	1	361.534	2.128	20	30		FEEDMO
C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@]2(C1)CCCN(C)C2=O	ZINC000370406491	556863422	/nfs/dbraw/zinc/86/34/22/556863422.db2.gz	NAIMLEDDNVUBEH-UTKZUKDTSA-N	1	1	368.481	2.266	20	30		FEEDMO
C=CCN1CC(=O)N([C@H]2CC[N@@H+](C3CC3)[C@@H]2c2cccc(OC)c2)C1=O	ZINC000370445433	556875248	/nfs/dbraw/zinc/87/52/48/556875248.db2.gz	UUBCVVMZDZZPHI-PKOBYXMFSA-N	1	1	355.438	2.423	20	30		FEEDMO
C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000370668171	556935493	/nfs/dbraw/zinc/93/54/93/556935493.db2.gz	UAVYQKYSVKFQPV-GDBMZVCRSA-N	1	1	359.451	2.340	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000370893444	557005895	/nfs/dbraw/zinc/00/58/95/557005895.db2.gz	VFYDLMWFCTXDOZ-IRXDYDNUSA-N	1	1	360.502	2.194	20	30		FEEDMO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](N2CCCCC2=O)C1	ZINC000370893444	557005900	/nfs/dbraw/zinc/00/59/00/557005900.db2.gz	VFYDLMWFCTXDOZ-IRXDYDNUSA-N	1	1	360.502	2.194	20	30		FEEDMO
CN(C)c1ncnc2c1C[N@H+](Cc1ccc(N(C)CCC#N)cc1)CC2	ZINC000371382125	557168222	/nfs/dbraw/zinc/16/82/22/557168222.db2.gz	HUHDMWNYFVWCKG-UHFFFAOYSA-N	1	1	350.470	2.451	20	30		FEEDMO
CN(C)c1ncnc2c1C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)CC2	ZINC000371382125	557168226	/nfs/dbraw/zinc/16/82/26/557168226.db2.gz	HUHDMWNYFVWCKG-UHFFFAOYSA-N	1	1	350.470	2.451	20	30		FEEDMO
CC[C@H](NC(=O)N(C)C[C@H](C)C#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1	ZINC000372004750	557353911	/nfs/dbraw/zinc/35/39/11/557353911.db2.gz	UMFSDIYQLZQDFJ-NZSAHSFTSA-N	1	1	358.486	2.467	20	30		FEEDMO
CC[C@H](NC(=O)N(C)C[C@H](C)C#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1	ZINC000372004750	557353914	/nfs/dbraw/zinc/35/39/14/557353914.db2.gz	UMFSDIYQLZQDFJ-NZSAHSFTSA-N	1	1	358.486	2.467	20	30		FEEDMO
C=CCN(C(=O)NCCNC(=O)C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372173700	557399690	/nfs/dbraw/zinc/39/96/90/557399690.db2.gz	SFDWYUXWXUDWFM-IBGZPJMESA-N	1	1	372.513	2.231	20	30		FEEDMO
CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000372288414	557430599	/nfs/dbraw/zinc/43/05/99/557430599.db2.gz	KOFLMCBWDDVGHZ-HOTGVXAUSA-N	1	1	370.409	2.151	20	30		FEEDMO
CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1	ZINC000372288414	557430601	/nfs/dbraw/zinc/43/06/01/557430601.db2.gz	KOFLMCBWDDVGHZ-HOTGVXAUSA-N	1	1	370.409	2.151	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2sc(C(C)(C)C)cc2C#N)C1	ZINC000519523008	562133242	/nfs/dbraw/zinc/13/32/42/562133242.db2.gz	KFHGTMPNAFAGRG-LBPRGKRZSA-N	1	1	362.499	2.314	20	30		FEEDMO
C=CCN(C(=O)c1ccn(CCOC)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000372612543	557521121	/nfs/dbraw/zinc/52/11/21/557521121.db2.gz	VJGNNNPZXAAJHF-LJQANCHMSA-N	1	1	368.481	2.432	20	30		FEEDMO
COc1cc(/C=C/C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)ccc1OCC#N	ZINC000372983793	557603505	/nfs/dbraw/zinc/60/35/05/557603505.db2.gz	VIIDAJNOXHERCZ-JSYWMUGDSA-N	1	1	355.438	2.163	20	30		FEEDMO
C=CCN(Cc1nnc2n1CCOC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000373897762	557782550	/nfs/dbraw/zinc/78/25/50/557782550.db2.gz	CMBYEDZANZZIKA-SFHVURJKSA-N	1	1	353.470	2.071	20	30		FEEDMO
Cc1cccn2c(=O)cc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)nc12	ZINC000374292361	557859269	/nfs/dbraw/zinc/85/92/69/557859269.db2.gz	NFPCKYVKMVEIIE-UHFFFAOYSA-N	1	1	359.433	2.455	20	30		FEEDMO
CC1(C)NC(=O)N(CCC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1=O	ZINC000374310152	557863177	/nfs/dbraw/zinc/86/31/77/557863177.db2.gz	LAWBYCMSBOJOTI-UHFFFAOYSA-N	1	1	352.438	2.368	20	30		FEEDMO
Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(C#N)(c2ccccn2)CC1	ZINC000374390130	557877528	/nfs/dbraw/zinc/87/75/28/557877528.db2.gz	OCFOUGJKSKFBNR-MRXNPFEDSA-N	1	1	366.469	2.490	20	30		FEEDMO
COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCCC2(C#N)CCOCC2)O1	ZINC000374558633	557899657	/nfs/dbraw/zinc/89/96/57/557899657.db2.gz	ALJCHRJERMCZSR-YVSFHVDLSA-N	1	1	350.459	2.270	20	30		FEEDMO
C=CCn1cc(CNC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)nn1	ZINC000521229354	562172378	/nfs/dbraw/zinc/17/23/78/562172378.db2.gz	JIXAZJZAXLUDFQ-IRXDYDNUSA-N	1	1	368.485	2.269	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C#N)c(Cl)n2)cn1	ZINC000375092075	557976664	/nfs/dbraw/zinc/97/66/64/557976664.db2.gz	YQTRFPFYXWCUDI-UHFFFAOYSA-N	1	1	352.785	2.426	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1	ZINC000375761230	558078789	/nfs/dbraw/zinc/07/87/89/558078789.db2.gz	HEHXAXSQJIWKNI-ZWKOTPCHSA-N	1	1	373.453	2.436	20	30		FEEDMO
COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1	ZINC000375761230	558078790	/nfs/dbraw/zinc/07/87/90/558078790.db2.gz	HEHXAXSQJIWKNI-ZWKOTPCHSA-N	1	1	373.453	2.436	20	30		FEEDMO
CN(CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1	ZINC000375773590	558079548	/nfs/dbraw/zinc/07/95/48/558079548.db2.gz	AMSOIDNVDAXWIN-ICSRJNTNSA-N	1	1	369.513	2.349	20	30		FEEDMO
Cn1cc(C[C@H]2CC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1	ZINC000375819676	558084846	/nfs/dbraw/zinc/08/48/46/558084846.db2.gz	ZLKNMGDKUUKHOX-XLIONFOSSA-N	1	1	363.465	2.352	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](NC(=O)C4CCC4)C3)C2=O)cc1	ZINC000375829919	558086332	/nfs/dbraw/zinc/08/63/32/558086332.db2.gz	LNBUDCHNJSLYRS-MJGOQNOKSA-N	1	1	366.465	2.044	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](NC(=O)C4CCC4)C3)C2=O)cc1	ZINC000375829919	558086333	/nfs/dbraw/zinc/08/63/33/558086333.db2.gz	LNBUDCHNJSLYRS-MJGOQNOKSA-N	1	1	366.465	2.044	20	30		FEEDMO
CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1	ZINC000375966700	558106390	/nfs/dbraw/zinc/10/63/90/558106390.db2.gz	CLCLVIJTLCUQIW-MRXNPFEDSA-N	1	1	367.453	2.242	20	30		FEEDMO
C=CCN1CC[C@H](N(C)C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1=O	ZINC000376128290	558130556	/nfs/dbraw/zinc/13/05/56/558130556.db2.gz	DWODPJOXUOCEDB-NEWSRXKRSA-N	1	1	370.497	2.078	20	30		FEEDMO
C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(C#N)o2)[C@H]1c1cccs1	ZINC000376265100	558149673	/nfs/dbraw/zinc/14/96/73/558149673.db2.gz	KDKBSEZGSISDGC-ABAIWWIYSA-N	1	1	351.453	2.184	20	30		FEEDMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(C#N)o2)cc1F	ZINC000376287843	558152824	/nfs/dbraw/zinc/15/28/24/558152824.db2.gz	FXESMUKVFZYQIB-UHFFFAOYSA-N	1	1	360.370	2.263	20	30		FEEDMO
Cc1cc(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)nn1-c1cccc(C#N)c1	ZINC000377244889	558297594	/nfs/dbraw/zinc/29/75/94/558297594.db2.gz	MUNHJHDIJVXFJL-HNNXBMFYSA-N	1	1	364.453	2.824	20	30		FEEDMO
CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C[C@@H](C#N)CCC#N)CC2)C1	ZINC000377542981	558360739	/nfs/dbraw/zinc/36/07/39/558360739.db2.gz	KWPGYSMPALKVHA-SJORKVTESA-N	1	1	361.490	2.057	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CC(N)=O)C1	ZINC000377555951	558364161	/nfs/dbraw/zinc/36/41/61/558364161.db2.gz	XNWVGFCDWXTZCC-ZIAGYGMSSA-N	1	1	360.483	2.074	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CC[C@H](CC(N)=O)C1	ZINC000377555951	558364163	/nfs/dbraw/zinc/36/41/63/558364163.db2.gz	XNWVGFCDWXTZCC-ZIAGYGMSSA-N	1	1	360.483	2.074	20	30		FEEDMO
C#CCNC(=O)c1ccc(N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@H]3C2)nc1	ZINC000377836872	558432202	/nfs/dbraw/zinc/43/22/02/558432202.db2.gz	GTOFJTVWDZKCMY-IRFCIJBXSA-N	1	1	360.461	2.184	20	30		FEEDMO
C[N@@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)C1	ZINC000377851391	558434987	/nfs/dbraw/zinc/43/49/87/558434987.db2.gz	SWSQDSTXYHVYRI-SFHVURJKSA-N	1	1	355.463	2.453	20	30		FEEDMO
CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1	ZINC000378110711	558484005	/nfs/dbraw/zinc/48/40/05/558484005.db2.gz	LACKXKAEODIROL-INIZCTEOSA-N	1	1	372.517	2.342	20	30		FEEDMO
C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)Cc2ccc(C#N)cc2)C1	ZINC000378455140	558561662	/nfs/dbraw/zinc/56/16/62/558561662.db2.gz	RAMDMVSGUATEGI-SFHVURJKSA-N	1	1	355.463	2.381	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C[C@H]21	ZINC000378459772	558562735	/nfs/dbraw/zinc/56/27/35/558562735.db2.gz	ZPPHWSBYPUINRI-BXUZGUMPSA-N	1	1	373.400	2.292	20	30		FEEDMO
Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1C#N	ZINC000385112033	558605649	/nfs/dbraw/zinc/60/56/49/558605649.db2.gz	PXGZHILQTCCRTM-GOSISDBHSA-N	1	1	355.463	2.420	20	30		FEEDMO
Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N	ZINC000385112033	558605652	/nfs/dbraw/zinc/60/56/52/558605652.db2.gz	PXGZHILQTCCRTM-GOSISDBHSA-N	1	1	355.463	2.420	20	30		FEEDMO
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)s1	ZINC000389986170	558610608	/nfs/dbraw/zinc/61/06/08/558610608.db2.gz	MEQAXSWMDHQVNI-CJNGLKHVSA-N	1	1	361.492	2.419	20	30		FEEDMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)c1ccc(C#N)s1	ZINC000389986170	558610610	/nfs/dbraw/zinc/61/06/10/558610610.db2.gz	MEQAXSWMDHQVNI-CJNGLKHVSA-N	1	1	361.492	2.419	20	30		FEEDMO
CCN(CCC#N)S(=O)(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1	ZINC000410160831	558743356	/nfs/dbraw/zinc/74/33/56/558743356.db2.gz	GYFOMTWRESSETO-QGZVFWFLSA-N	1	1	356.536	2.101	20	30		FEEDMO
C=CC[N@H+](CCc1ccccc1)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F	ZINC000411193344	558851397	/nfs/dbraw/zinc/85/13/97/558851397.db2.gz	FKNOLUGCHXQESJ-ZDUSSCGKSA-N	1	1	357.376	2.494	20	30		FEEDMO
CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1nnc(-c3cccc(C#N)c3)o1)CC2	ZINC000525274895	562244763	/nfs/dbraw/zinc/24/47/63/562244763.db2.gz	QLSHFZTTYGZYRI-SJORKVTESA-N	1	1	368.437	2.360	20	30		FEEDMO
C=CC[N@H+](CCOC[C@H]1CCCO1)[C@H](C)c1cccc(-n2cnnn2)c1	ZINC000525487018	562249404	/nfs/dbraw/zinc/24/94/04/562249404.db2.gz	QZYCKIYTPUZHTQ-VQIMIIECSA-N	1	1	357.458	2.407	20	30		FEEDMO
COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1	ZINC000412070442	559009503	/nfs/dbraw/zinc/00/95/03/559009503.db2.gz	IINKOFLISMNJDT-ZDUSSCGKSA-N	1	1	356.394	2.498	20	30		FEEDMO
COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1	ZINC000412070442	559009504	/nfs/dbraw/zinc/00/95/04/559009504.db2.gz	IINKOFLISMNJDT-ZDUSSCGKSA-N	1	1	356.394	2.498	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1	ZINC000413298791	559096799	/nfs/dbraw/zinc/09/67/99/559096799.db2.gz	SWLNEXVCHNNSFH-RBUKOAKNSA-N	1	1	372.513	2.060	20	30		FEEDMO
Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1	ZINC000414457816	559165083	/nfs/dbraw/zinc/16/50/83/559165083.db2.gz	GOWMZNARLZVMFV-ZWKOTPCHSA-N	1	1	355.463	2.243	20	30		FEEDMO
C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC(F)(F)C[NH3+])cc1	ZINC000415009567	559200408	/nfs/dbraw/zinc/20/04/08/559200408.db2.gz	FUOXMCMQPIAURR-UHFFFAOYSA-N	1	1	352.385	2.216	20	30		FEEDMO
COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCc2cc(C#N)ccc21	ZINC000416684749	559329502	/nfs/dbraw/zinc/32/95/02/559329502.db2.gz	LRNNGTVMXFFVLB-HKUYNNGSSA-N	1	1	356.470	2.346	20	30		FEEDMO
COc1cc(C#N)ccc1S(=O)(=O)N1CC[NH2+]Cc2c(C)cccc21	ZINC000420464873	559488973	/nfs/dbraw/zinc/48/89/73/559488973.db2.gz	USZHWXINCAHECO-UHFFFAOYSA-N	1	1	357.435	2.174	20	30		FEEDMO
CCN1CCC([N@@H+]2CCCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1	ZINC000420984404	559517182	/nfs/dbraw/zinc/51/71/82/559517182.db2.gz	SZGSWOJUKJYUQP-UHFFFAOYSA-N	1	1	371.485	2.458	20	30		FEEDMO
CCN1CCC([N@H+]2CCCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1	ZINC000420984404	559517183	/nfs/dbraw/zinc/51/71/83/559517183.db2.gz	SZGSWOJUKJYUQP-UHFFFAOYSA-N	1	1	371.485	2.458	20	30		FEEDMO
CCOC(=O)c1c(NC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c(C#N)cn1CC	ZINC000421172327	559528594	/nfs/dbraw/zinc/52/85/94/559528594.db2.gz	JLXUSLXHMJUASV-UKRRQHHQSA-N	1	1	373.457	2.114	20	30		FEEDMO
CC1(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](CO)O1	ZINC000421362490	559540191	/nfs/dbraw/zinc/54/01/91/559540191.db2.gz	NNUNLRZHYUEDJA-SFHVURJKSA-N	1	1	354.454	2.435	20	30		FEEDMO
CC1(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](CO)O1	ZINC000421362490	559540192	/nfs/dbraw/zinc/54/01/92/559540192.db2.gz	NNUNLRZHYUEDJA-SFHVURJKSA-N	1	1	354.454	2.435	20	30		FEEDMO
CN(C[C@@H]1CCC[N@H+]1C)C(=O)COc1cccc(Br)c1C#N	ZINC000421711000	559550417	/nfs/dbraw/zinc/55/04/17/559550417.db2.gz	NLXWYIWBXWKRFB-LBPRGKRZSA-N	1	1	366.259	2.252	20	30		FEEDMO
C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC[N@H+](C)C1CCCC1	ZINC000422292059	559576237	/nfs/dbraw/zinc/57/62/37/559576237.db2.gz	FZYRSTKOCDHQOI-SFHVURJKSA-N	1	1	357.498	2.281	20	30		FEEDMO
C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1	ZINC000422523946	559592793	/nfs/dbraw/zinc/59/27/93/559592793.db2.gz	DVAJCFZDFCWLJV-AQNXPRMDSA-N	1	1	369.509	2.233	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2	ZINC000425389020	559699675	/nfs/dbraw/zinc/69/96/75/559699675.db2.gz	TUJVVXUJLVGEBF-HRAATJIYSA-N	1	1	368.481	2.022	20	30		FEEDMO
C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N(C)[C@H](C)c1cccc(C#N)c1	ZINC000425503220	559706323	/nfs/dbraw/zinc/70/63/23/559706323.db2.gz	RPAYQMDEQDPNLC-IAGOWNOFSA-N	1	1	357.502	2.287	20	30		FEEDMO
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000425886985	559724086	/nfs/dbraw/zinc/72/40/86/559724086.db2.gz	QXKKRNVASYVPGB-YJBOKZPZSA-N	1	1	368.481	2.211	20	30		FEEDMO
CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H](C)c1cccc(C#N)c1	ZINC000425889707	559724126	/nfs/dbraw/zinc/72/41/26/559724126.db2.gz	VHYYWUAXRSXDKM-CRAIPNDOSA-N	1	1	356.470	2.068	20	30		FEEDMO
Cc1[nH+]ccn1CCCCNC(=O)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1	ZINC000425889712	559724184	/nfs/dbraw/zinc/72/41/84/559724184.db2.gz	QRGBOWPLDOUEQW-HNNXBMFYSA-N	1	1	367.453	2.179	20	30		FEEDMO
C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ncc(C#N)cc2Cl)C[C@H](C)O1	ZINC000427926358	559765468	/nfs/dbraw/zinc/76/54/68/559765468.db2.gz	XBOOZMZUOJLPHI-GUTXKFCHSA-N	1	1	362.861	2.320	20	30		FEEDMO
C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ncc(C#N)cc2Cl)C[C@H](C)O1	ZINC000427926358	559765469	/nfs/dbraw/zinc/76/54/69/559765469.db2.gz	XBOOZMZUOJLPHI-GUTXKFCHSA-N	1	1	362.861	2.320	20	30		FEEDMO
N#Cc1cccc(NCC(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c1	ZINC000428542766	559777622	/nfs/dbraw/zinc/77/76/22/559777622.db2.gz	VGUSHDXPYUFFRH-IBGZPJMESA-N	1	1	350.422	2.175	20	30		FEEDMO
C=CCOc1cccnc1C(=O)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1	ZINC000428828823	559784351	/nfs/dbraw/zinc/78/43/51/559784351.db2.gz	XVMYEGIIUJWAIG-KRWDZBQOSA-N	1	1	353.422	2.465	20	30		FEEDMO
C=C(C)[C@H](CC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)OCC	ZINC000428974348	559787120	/nfs/dbraw/zinc/78/71/20/559787120.db2.gz	FGAAKKFVOVWHTM-FPOVZHCZSA-N	1	1	360.498	2.453	20	30		FEEDMO
Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+](C)C	ZINC000431954843	559849336	/nfs/dbraw/zinc/84/93/36/559849336.db2.gz	NPIZCOVGJIUVBK-MRXNPFEDSA-N	1	1	356.451	2.286	20	30		FEEDMO
C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)CC[N@H+]1C	ZINC000433869690	559889103	/nfs/dbraw/zinc/88/91/03/559889103.db2.gz	NCQMVPNHEUDZBO-JQWIXIFHSA-N	1	1	372.288	2.082	20	30		FEEDMO
Cn1cc(C[N@@H+]2CCCN(C(=O)C3(c4cccc(C#N)c4)CC3)CC2)cn1	ZINC000435015676	559914407	/nfs/dbraw/zinc/91/44/07/559914407.db2.gz	JCFJBNVKAJUFGA-UHFFFAOYSA-N	1	1	363.465	2.058	20	30		FEEDMO
Cn1cc(C[N@H+]2CCCN(C(=O)C3(c4cccc(C#N)c4)CC3)CC2)cn1	ZINC000435015676	559914408	/nfs/dbraw/zinc/91/44/08/559914408.db2.gz	JCFJBNVKAJUFGA-UHFFFAOYSA-N	1	1	363.465	2.058	20	30		FEEDMO
C=CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1	ZINC000435042332	559914975	/nfs/dbraw/zinc/91/49/75/559914975.db2.gz	LWUGADMGDDJAJS-QGZVFWFLSA-N	1	1	350.484	2.251	20	30		FEEDMO
C=CCOc1ccc(C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1	ZINC000435042332	559914976	/nfs/dbraw/zinc/91/49/76/559914976.db2.gz	LWUGADMGDDJAJS-QGZVFWFLSA-N	1	1	350.484	2.251	20	30		FEEDMO
COC(=O)c1cn(C2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)nn1	ZINC000439448025	559994117	/nfs/dbraw/zinc/99/41/17/559994117.db2.gz	ZCHPJWQDHHWPEW-UHFFFAOYSA-N	1	1	359.817	2.427	20	30		FEEDMO
C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1	ZINC000439479079	559995151	/nfs/dbraw/zinc/99/51/51/559995151.db2.gz	RDZHFAHTLQWOLY-QEEYODRMSA-N	1	1	361.486	2.381	20	30		FEEDMO
CC[C@H](CC#N)NC(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1	ZINC000439549802	559996777	/nfs/dbraw/zinc/99/67/77/559996777.db2.gz	KMKCVVWICOVKLQ-YQQAZPJKSA-N	1	1	372.469	2.043	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2CC(=O)OC)cc1	ZINC000441137325	560024996	/nfs/dbraw/zinc/02/49/96/560024996.db2.gz	FHRUUCVVKVFSPU-KRWDZBQOSA-N	1	1	373.453	2.359	20	30		FEEDMO
CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2CC(=O)OC)cc1	ZINC000441137325	560024997	/nfs/dbraw/zinc/02/49/97/560024997.db2.gz	FHRUUCVVKVFSPU-KRWDZBQOSA-N	1	1	373.453	2.359	20	30		FEEDMO
COC1CC[NH+](C2(CNC(=O)c3ccc(C#N)c(O)c3)CCCC2)CC1	ZINC000442972160	560064496	/nfs/dbraw/zinc/06/44/96/560064496.db2.gz	XKKWGLHDQQBHAR-UHFFFAOYSA-N	1	1	357.454	2.417	20	30		FEEDMO
C=CCNC(=O)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2C)CC1	ZINC000443410876	560083386	/nfs/dbraw/zinc/08/33/86/560083386.db2.gz	PJZBLHQMEBJGAQ-UHFFFAOYSA-N	1	1	355.404	2.434	20	30		FEEDMO
C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC[N@H+]1C	ZINC000443468405	560084574	/nfs/dbraw/zinc/08/45/74/560084574.db2.gz	OCNIYGBAYGSSFN-MFKMUULPSA-N	1	1	372.288	2.082	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@H+]3CC[C@@H](S(N)(=O)=O)C3)c2)c1	ZINC000443864234	560094784	/nfs/dbraw/zinc/09/47/84/560094784.db2.gz	UBVIRHUFZUYHTP-LJQANCHMSA-N	1	1	371.462	2.000	20	30		FEEDMO
N#Cc1cccc(COc2cccc(C[N@@H+]3CC[C@@H](S(N)(=O)=O)C3)c2)c1	ZINC000443864234	560094786	/nfs/dbraw/zinc/09/47/86/560094786.db2.gz	UBVIRHUFZUYHTP-LJQANCHMSA-N	1	1	371.462	2.000	20	30		FEEDMO
CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCCCC(C)(C)C#N)CC1	ZINC000444622354	560116860	/nfs/dbraw/zinc/11/68/60/560116860.db2.gz	GEXIMVGLSFWPOQ-UHFFFAOYSA-N	1	1	351.491	2.440	20	30		FEEDMO
C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F	ZINC000444657115	560117583	/nfs/dbraw/zinc/11/75/83/560117583.db2.gz	JJKNUYSCMBFTRI-JTQLQIEISA-N	1	1	351.357	2.094	20	30		FEEDMO
N#Cc1ccc([C@H](C(N)=O)[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc1	ZINC000444789239	560120908	/nfs/dbraw/zinc/12/09/08/560120908.db2.gz	CXNITSMBUHZVJP-HXUWFJFHSA-N	1	1	363.461	2.402	20	30		FEEDMO
C=CC[C@H]1N(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCCC1(C)C	ZINC000445095747	560128706	/nfs/dbraw/zinc/12/87/06/560128706.db2.gz	WDBORPMVCZNGGJ-QGZVFWFLSA-N	1	1	364.534	2.315	20	30		FEEDMO
CC(C)[N@@H+](C)CCNC(=O)NC1CCC(Oc2ncccc2C#N)CC1	ZINC000446557895	560147424	/nfs/dbraw/zinc/14/74/24/560147424.db2.gz	HOOKBRCEGVBLJZ-UHFFFAOYSA-N	1	1	359.474	2.283	20	30		FEEDMO
CC[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1	ZINC000448939224	560207995	/nfs/dbraw/zinc/20/79/95/560207995.db2.gz	BHJMCLMUIFQTLW-HNNXBMFYSA-N	1	1	374.872	2.119	20	30		FEEDMO
C[C@@H](CNC(=O)c1cccc(C#N)c1Br)C[NH+]1CCOCC1	ZINC000449913413	560245069	/nfs/dbraw/zinc/24/50/69/560245069.db2.gz	NNHCMNGCUWJXPL-LBPRGKRZSA-N	1	1	366.259	2.019	20	30		FEEDMO
CN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CCC[N@@H+](C)C1	ZINC000449944814	560246160	/nfs/dbraw/zinc/24/61/60/560246160.db2.gz	KVUVZEFDGDFKGR-GFCCVEGCSA-N	1	1	366.259	2.252	20	30		FEEDMO
CCOC(=O)c1ccc(CN2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1	ZINC000450245861	560255537	/nfs/dbraw/zinc/25/55/37/560255537.db2.gz	YYXQVVTUTGFMRM-UHFFFAOYSA-N	1	1	364.449	2.448	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cccc(C#N)c1[N+](=O)[O-]	ZINC000450341443	560259266	/nfs/dbraw/zinc/25/92/66/560259266.db2.gz	JXKZEAIDCXTJCN-OAHLLOKOSA-N	1	1	366.425	2.484	20	30		FEEDMO
C[C@@H]1C[N@@H+](CCCNc2ncc(Br)cc2C#N)CCCO1	ZINC000450488030	560263886	/nfs/dbraw/zinc/26/38/86/560263886.db2.gz	ODLIORHXDDUWMJ-GFCCVEGCSA-N	1	1	353.264	2.629	20	30		FEEDMO
C[C@@H](CC#N)N(C)S(=O)(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1	ZINC000451798901	560329191	/nfs/dbraw/zinc/32/91/91/560329191.db2.gz	VGQUHMDAZOGWAM-INIZCTEOSA-N	1	1	364.515	2.109	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H]([C@@H](O)C(F)(F)F)C3)C2=O)cc1	ZINC000451882232	560334321	/nfs/dbraw/zinc/33/43/21/560334321.db2.gz	CJJZTMSFOGCRMF-CWRNSKLLSA-N	1	1	367.371	2.299	20	30		FEEDMO
N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H]([C@@H](O)C(F)(F)F)C3)C2=O)cc1	ZINC000451882232	560334322	/nfs/dbraw/zinc/33/43/22/560334322.db2.gz	CJJZTMSFOGCRMF-CWRNSKLLSA-N	1	1	367.371	2.299	20	30		FEEDMO
COC(=O)[C@H]1C[N@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H]1c1ccccc1	ZINC000452008178	560344973	/nfs/dbraw/zinc/34/49/73/560344973.db2.gz	SHDRLSVMQDAYLL-OALUTQOASA-N	1	1	363.417	2.385	20	30		FEEDMO
COC(=O)[C@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)C[C@H]1c1ccccc1	ZINC000452008178	560344974	/nfs/dbraw/zinc/34/49/74/560344974.db2.gz	SHDRLSVMQDAYLL-OALUTQOASA-N	1	1	363.417	2.385	20	30		FEEDMO
C=CCn1c([C@H]2CCCCO2)nnc1N1CC[N@H+](CCOCC)[C@H](C)C1	ZINC000453440918	560386681	/nfs/dbraw/zinc/38/66/81/560386681.db2.gz	NPFXRTACKFJYGX-IAGOWNOFSA-N	1	1	363.506	2.253	20	30		FEEDMO
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC#N)cc1Cl	ZINC000453755971	560401913	/nfs/dbraw/zinc/40/19/13/560401913.db2.gz	GIDPITCCXQDQGZ-GFCCVEGCSA-N	1	1	350.850	2.189	20	30		FEEDMO
C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1	ZINC000453923796	560413503	/nfs/dbraw/zinc/41/35/03/560413503.db2.gz	XFLCHTAEXCFYHN-IJEWVQPXSA-N	1	1	372.494	2.039	20	30		FEEDMO
CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+]1CCCO	ZINC000454572689	560449988	/nfs/dbraw/zinc/44/99/88/560449988.db2.gz	GIQNXHDCDMCHEQ-MRXNPFEDSA-N	1	1	360.458	2.314	20	30		FEEDMO
C[N@H+]1CC[C@@H]2CN(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)C[C@@H]21	ZINC000454590302	560450581	/nfs/dbraw/zinc/45/05/81/560450581.db2.gz	MANYAJGDCWKLBT-ZBFHGGJFSA-N	1	1	351.372	2.402	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1C#N	ZINC000454996828	560466637	/nfs/dbraw/zinc/46/66/37/560466637.db2.gz	KJLLOLLKRFVQCV-GASCZTMLSA-N	1	1	360.458	2.264	20	30		FEEDMO
CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1C#N	ZINC000454996828	560466638	/nfs/dbraw/zinc/46/66/38/560466638.db2.gz	KJLLOLLKRFVQCV-GASCZTMLSA-N	1	1	360.458	2.264	20	30		FEEDMO
C[C@@H](CNC(=O)Nc1ccc(CC#N)cc1Cl)CN1CC[NH+](C)CC1	ZINC000455698230	560492294	/nfs/dbraw/zinc/49/22/94/560492294.db2.gz	FSMBBUNRHHHCDS-AWEZNQCLSA-N	1	1	363.893	2.411	20	30		FEEDMO
C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2cnc(C#N)c(Cl)c2)CC1	ZINC000455766077	560494299	/nfs/dbraw/zinc/49/42/99/560494299.db2.gz	SJATXBAULFNSER-UHFFFAOYSA-N	1	1	364.881	2.144	20	30		FEEDMO
C[N@@H+](CCCCNC(=O)[C@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CC1	ZINC000457175411	560554380	/nfs/dbraw/zinc/55/43/80/560554380.db2.gz	XVIGEMAZGWFYBJ-LJQANCHMSA-N	1	1	368.481	2.040	20	30		FEEDMO
C[N@@H+](CCCCNC(=O)[C@@H]1CCC(=O)N1Cc1cccc(C#N)c1)C1CC1	ZINC000457175410	560554430	/nfs/dbraw/zinc/55/44/30/560554430.db2.gz	XVIGEMAZGWFYBJ-IBGZPJMESA-N	1	1	368.481	2.040	20	30		FEEDMO
Cc1cc(C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)ncc1C#N	ZINC000457591369	560576615	/nfs/dbraw/zinc/57/66/15/560576615.db2.gz	ZQCHJICFSDDJGA-UHFFFAOYSA-N	1	1	363.465	2.156	20	30		FEEDMO
Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)ncc1C#N	ZINC000457692676	560582246	/nfs/dbraw/zinc/58/22/46/560582246.db2.gz	GWTBBJYZVODOFQ-LJQANCHMSA-N	1	1	364.449	2.148	20	30		FEEDMO
CCC[C@H]1CN(C(=O)NCc2ccc(C#N)c(F)c2)CC[N@H+]1CCOC	ZINC000459122228	560667887	/nfs/dbraw/zinc/66/78/87/560667887.db2.gz	OJHCRNBFCGVZGK-KRWDZBQOSA-N	1	1	362.449	2.340	20	30		FEEDMO
N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@](O)(CO)C2)c1	ZINC000459744614	560705623	/nfs/dbraw/zinc/70/56/23/560705623.db2.gz	ZTAYXGUJWCUZOD-OAQYLSRUSA-N	1	1	352.434	2.456	20	30		FEEDMO
CC1=CCN(CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1	ZINC000460222110	560738290	/nfs/dbraw/zinc/73/82/90/560738290.db2.gz	RBIYFHZXHYJHPF-UHFFFAOYSA-N	1	1	369.513	2.283	20	30		FEEDMO
C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[N@H+](CC)CC1	ZINC000460553992	560746211	/nfs/dbraw/zinc/74/62/11/560746211.db2.gz	ILXYNPRHBRVNGM-MRXNPFEDSA-N	1	1	351.495	2.110	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C	ZINC000460563386	560746322	/nfs/dbraw/zinc/74/63/22/560746322.db2.gz	VHAGOEHYQDQKCW-BBWFWOEESA-N	1	1	365.522	2.497	20	30		FEEDMO
C=C(C)Cn1c([C@H](C)OCCOC)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1	ZINC000460768342	560751305	/nfs/dbraw/zinc/75/13/05/560751305.db2.gz	KYNSOEZIIMOWRQ-RDJZCZTQSA-N	1	1	363.506	2.251	20	30		FEEDMO
C=C(C)Cn1c(CCCC)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1	ZINC000460800318	560752176	/nfs/dbraw/zinc/75/21/76/560752176.db2.gz	RTCMHKQAUYLYAD-GOSISDBHSA-N	1	1	360.550	2.413	20	30		FEEDMO
Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1sccc1C[NH+](C)C	ZINC000461725510	560780541	/nfs/dbraw/zinc/78/05/41/560780541.db2.gz	HGMVRWPPLSYSHN-UHFFFAOYSA-N	1	1	366.450	2.823	20	30		FEEDMO
C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@H]1CCC[C@H]1C#N	ZINC000461958244	560789594	/nfs/dbraw/zinc/78/95/94/560789594.db2.gz	QQYOTQIHXKHMFU-AOIWGVFYSA-N	1	1	355.486	2.189	20	30		FEEDMO
CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)C[C@@H]1C	ZINC000462087806	560796263	/nfs/dbraw/zinc/79/62/63/560796263.db2.gz	FBNSTINESUNMSL-WMLDXEAASA-N	1	1	367.457	2.475	20	30		FEEDMO
N#Cc1cccc(OCC[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c1	ZINC000464797726	560851306	/nfs/dbraw/zinc/85/13/06/560851306.db2.gz	GIFWJUFSERPFPX-LJQANCHMSA-N	1	1	357.454	2.040	20	30		FEEDMO
N#Cc1cccc(OCC[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c1	ZINC000464797726	560851307	/nfs/dbraw/zinc/85/13/07/560851307.db2.gz	GIFWJUFSERPFPX-LJQANCHMSA-N	1	1	357.454	2.040	20	30		FEEDMO
N#Cc1ccc(OCCNC(=O)NCC[N@H+]2CCc3ccccc3C2)cc1	ZINC000465525414	560867339	/nfs/dbraw/zinc/86/73/39/560867339.db2.gz	NLKXNWXVBPZWHH-UHFFFAOYSA-N	1	1	364.449	2.295	20	30		FEEDMO
C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)n1cnc(C#N)n1	ZINC000467011748	560901475	/nfs/dbraw/zinc/90/14/75/560901475.db2.gz	CEPRVVVGYKHPOT-AWEZNQCLSA-N	1	1	372.860	2.099	20	30		FEEDMO
C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)n1cnc(C#N)n1	ZINC000467011748	560901476	/nfs/dbraw/zinc/90/14/76/560901476.db2.gz	CEPRVVVGYKHPOT-AWEZNQCLSA-N	1	1	372.860	2.099	20	30		FEEDMO
C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000468459037	560930457	/nfs/dbraw/zinc/93/04/57/560930457.db2.gz	NIOKRZNCWRFYJF-HNNXBMFYSA-N	1	1	362.861	2.387	20	30		FEEDMO
C=C(C)CN(Cc1ccccc1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000471906548	561014090	/nfs/dbraw/zinc/01/40/90/561014090.db2.gz	QNDPVDIODMCTBO-LJQANCHMSA-N	1	1	372.513	2.362	20	30		FEEDMO
CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1	ZINC000472313883	561024084	/nfs/dbraw/zinc/02/40/84/561024084.db2.gz	GVGOORMKFSVHFG-CEXWTWQISA-N	1	1	359.470	2.019	20	30		FEEDMO
Cn1ncc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1C#N	ZINC000475523628	561099364	/nfs/dbraw/zinc/09/93/64/561099364.db2.gz	RTQXWSSUGYREEK-UHFFFAOYSA-N	1	1	351.454	2.072	20	30		FEEDMO
CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C[C@H](CC#N)c1ccccc1	ZINC000475530827	561099435	/nfs/dbraw/zinc/09/94/35/561099435.db2.gz	OTSRPZPVPVBNHD-RBUKOAKNSA-N	1	1	370.497	2.133	20	30		FEEDMO
CC(=O)Nc1cccc2c1CC[N@@H+](C[C@H](O)COc1ccccc1C#N)C2	ZINC000528355829	562324667	/nfs/dbraw/zinc/32/46/67/562324667.db2.gz	WJLMDIXUNRWDEZ-SFHVURJKSA-N	1	1	365.433	2.315	20	30		FEEDMO
CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C	ZINC000528405158	562327142	/nfs/dbraw/zinc/32/71/42/562327142.db2.gz	QIRMPOHPOGILOK-CRAIPNDOSA-N	1	1	369.444	2.256	20	30		FEEDMO
C[N@H+]1CCN(C[C@@H](O)COc2ccccc2C#N)C[C@H]1Cc1ccccc1	ZINC000528495051	562332314	/nfs/dbraw/zinc/33/23/14/562332314.db2.gz	CGDBNWSTSCDEHQ-NHCUHLMSSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H]1Cc1ccccc1	ZINC000528495051	562332315	/nfs/dbraw/zinc/33/23/15/562332315.db2.gz	CGDBNWSTSCDEHQ-NHCUHLMSSA-N	1	1	365.477	2.157	20	30		FEEDMO
CN1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H]1Cc1ccccc1	ZINC000528495051	562332316	/nfs/dbraw/zinc/33/23/16/562332316.db2.gz	CGDBNWSTSCDEHQ-NHCUHLMSSA-N	1	1	365.477	2.157	20	30		FEEDMO
Cc1nc(C[NH+]2CCC(CNC(=O)Cc3ccc(C#N)nc3)CC2)oc1C	ZINC000528529639	562334137	/nfs/dbraw/zinc/33/41/37/562334137.db2.gz	SOKHORXWIXHGOL-UHFFFAOYSA-N	1	1	367.453	2.129	20	30		FEEDMO
N#Cc1cccc(-c2nnc(C[N@@H+]3CC4(CCOCC4)CC[C@@H]3CO)o2)c1	ZINC000528642849	562339923	/nfs/dbraw/zinc/33/99/23/562339923.db2.gz	WXLFJLHYKVDXEF-QGZVFWFLSA-N	1	1	368.437	2.362	20	30		FEEDMO
COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)COc2ccccc2C#N)cc1	ZINC000529832129	562387358	/nfs/dbraw/zinc/38/73/58/562387358.db2.gz	PAIACNRIRCQXHK-GOSISDBHSA-N	1	1	365.433	2.336	20	30		FEEDMO
COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)COc2ccccc2C#N)cc1	ZINC000529832129	562387359	/nfs/dbraw/zinc/38/73/59/562387359.db2.gz	PAIACNRIRCQXHK-GOSISDBHSA-N	1	1	365.433	2.336	20	30		FEEDMO
C=CCc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(O)c(OC)c1	ZINC000530108470	562398664	/nfs/dbraw/zinc/39/86/64/562398664.db2.gz	OKXYEVAHRPHPCT-CVEARBPZSA-N	1	1	351.468	2.281	20	30		FEEDMO
C=CCc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(O)c(OC)c1	ZINC000530108470	562398665	/nfs/dbraw/zinc/39/86/65/562398665.db2.gz	OKXYEVAHRPHPCT-CVEARBPZSA-N	1	1	351.468	2.281	20	30		FEEDMO
C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cnn(C)c1	ZINC000530924590	562428883	/nfs/dbraw/zinc/42/88/83/562428883.db2.gz	KOYWLISQONKVLY-MRXNPFEDSA-N	1	1	351.454	2.130	20	30		FEEDMO
C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)c1cnn(C)c1	ZINC000530924590	562428884	/nfs/dbraw/zinc/42/88/84/562428884.db2.gz	KOYWLISQONKVLY-MRXNPFEDSA-N	1	1	351.454	2.130	20	30		FEEDMO
C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2C1=O	ZINC000531982497	562463185	/nfs/dbraw/zinc/46/31/85/562463185.db2.gz	VCFAUBLLUKYJFZ-MAUKXSAKSA-N	1	1	367.449	2.025	20	30		FEEDMO
Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[N@H+](C)C[C@H]2C)c1C#N	ZINC000532578992	562482146	/nfs/dbraw/zinc/48/21/46/562482146.db2.gz	KJWHMVXZGKXHRZ-CQSZACIVSA-N	1	1	369.469	2.192	20	30		FEEDMO
C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2F)[C@@H]1c1ccccc1	ZINC000534638904	562538797	/nfs/dbraw/zinc/53/87/97/562538797.db2.gz	NLWQXAPURDPBLW-WMZOPIPTSA-N	1	1	359.426	2.421	20	30		FEEDMO
C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2F)[C@@H]1c1ccccc1	ZINC000534638904	562538798	/nfs/dbraw/zinc/53/87/98/562538798.db2.gz	NLWQXAPURDPBLW-WMZOPIPTSA-N	1	1	359.426	2.421	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1	ZINC000535665171	562563702	/nfs/dbraw/zinc/56/37/02/562563702.db2.gz	HQBHAMDEWRVREN-UHFFFAOYSA-N	1	1	368.481	2.305	20	30		FEEDMO
C[C@H]1C[NH+](CCOC2CCN(C(=O)C3(C#N)CCCC3)CC2)C[C@H](C)O1	ZINC000536919851	562582770	/nfs/dbraw/zinc/58/27/70/562582770.db2.gz	FLBPALUEGKTPRB-IRXDYDNUSA-N	1	1	363.502	2.187	20	30		FEEDMO
CCOC(=O)c1sc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)nc1C	ZINC000541689889	562617885	/nfs/dbraw/zinc/61/78/85/562617885.db2.gz	YXYZXOCOAJUTHQ-LBPRGKRZSA-N	1	1	352.460	2.041	20	30		FEEDMO
N#Cc1cccc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)n1	ZINC000545506711	562628475	/nfs/dbraw/zinc/62/84/75/562628475.db2.gz	XKSPJOGZMFIWES-UHFFFAOYSA-N	1	1	353.382	2.062	20	30		FEEDMO
Cc1[nH+]c2cc3c(cc2n1C[C@H](O)CC1(C#N)CCOCC1)OCCO3	ZINC000601953358	567884473	/nfs/dbraw/zinc/88/44/73/567884473.db2.gz	FLHFSCWEBYFYKI-CQSZACIVSA-N	1	1	357.410	2.187	20	30		FEEDMO
CC(=O)NCC[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1	ZINC000568117468	567890671	/nfs/dbraw/zinc/89/06/71/567890671.db2.gz	SFNCXCUVJGSSLC-ICSRJNTNSA-N	1	1	368.481	2.292	20	30		FEEDMO
C[N@H+]1CC[C@@H](CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1	ZINC000602144878	567936401	/nfs/dbraw/zinc/93/64/01/567936401.db2.gz	QLYTXLSSJSQKKE-YJBOKZPZSA-N	1	1	360.889	2.391	20	30		FEEDMO
C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccnc(N2CCN(C)CC2)c1	ZINC000602513129	567989383	/nfs/dbraw/zinc/98/93/83/567989383.db2.gz	CUYGQDFSKIRBRG-KRWDZBQOSA-N	1	1	357.502	2.022	20	30		FEEDMO
CO[C@@H]1C[N@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@](C)(CO)C1	ZINC000602964496	568023927	/nfs/dbraw/zinc/02/39/27/568023927.db2.gz	QMBSTAMZWJYNQH-WMZOPIPTSA-N	1	1	365.861	2.058	20	30		FEEDMO
CO[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2cccc(Cl)c2)[C@](C)(CO)C1	ZINC000602964496	568023929	/nfs/dbraw/zinc/02/39/29/568023929.db2.gz	QMBSTAMZWJYNQH-WMZOPIPTSA-N	1	1	365.861	2.058	20	30		FEEDMO
C[C@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C[C@H](C)N1CC#N	ZINC000603088215	568059395	/nfs/dbraw/zinc/05/93/95/568059395.db2.gz	DWVLKYQWIPOOLW-GJZGRUSLSA-N	1	1	365.481	2.214	20	30		FEEDMO
C[C@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C[C@H](C)N1CC#N	ZINC000603088215	568059396	/nfs/dbraw/zinc/05/93/96/568059396.db2.gz	DWVLKYQWIPOOLW-GJZGRUSLSA-N	1	1	365.481	2.214	20	30		FEEDMO
CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)n1cc(C[NH2+]Cc2ccccc2)nn1	ZINC000603177131	568068172	/nfs/dbraw/zinc/06/81/72/568068172.db2.gz	RFWBAGXCACBIBT-BEFAXECRSA-N	1	1	354.458	2.183	20	30		FEEDMO
CN(CCC#N)S(=O)(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1	ZINC000603631479	568128035	/nfs/dbraw/zinc/12/80/35/568128035.db2.gz	GCJFNUZZIBIFRM-INIZCTEOSA-N	1	1	370.906	2.157	20	30		FEEDMO
C=CC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C)[nH+]c2N2CCCC2)C1	ZINC000669168285	568187567	/nfs/dbraw/zinc/18/75/67/568187567.db2.gz	JJAYELPNMKLADI-QGZVFWFLSA-N	1	1	370.497	2.421	20	30		FEEDMO
COc1cc(CNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1C#N	ZINC000568821569	568228664	/nfs/dbraw/zinc/22/86/64/568228664.db2.gz	BVXFNFJIYFMEEL-ZWKOTPCHSA-N	1	1	372.469	2.009	20	30		FEEDMO
CCC[N@H+]1CCC[C@H]1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000604541748	568309714	/nfs/dbraw/zinc/30/97/14/568309714.db2.gz	IQEARUQTZRPWLH-RBUKOAKNSA-N	1	1	358.461	2.409	20	30		FEEDMO
N#Cc1ccc(CN2CC[N@H+](Cc3ccc(C#N)cc3)[C@H](CCO)C2)cc1	ZINC000570151469	568455242	/nfs/dbraw/zinc/45/52/42/568455242.db2.gz	QWOWEHPNFFGZEG-JOCHJYFZSA-N	1	1	360.461	2.499	20	30		FEEDMO
N#Cc1ccc(CN2CC[N@@H+](Cc3ccc(C#N)cc3)[C@H](CCO)C2)cc1	ZINC000570151469	568455244	/nfs/dbraw/zinc/45/52/44/568455244.db2.gz	QWOWEHPNFFGZEG-JOCHJYFZSA-N	1	1	360.461	2.499	20	30		FEEDMO
N#Cc1ccc(CN2CC[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2CCO)cc1	ZINC000570151469	568455246	/nfs/dbraw/zinc/45/52/46/568455246.db2.gz	QWOWEHPNFFGZEG-JOCHJYFZSA-N	1	1	360.461	2.499	20	30		FEEDMO
N#Cc1ccc(CN2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]2CCO)cc1	ZINC000570151469	568455248	/nfs/dbraw/zinc/45/52/48/568455248.db2.gz	QWOWEHPNFFGZEG-JOCHJYFZSA-N	1	1	360.461	2.499	20	30		FEEDMO
Cc1c2cc(C#N)ccc2sc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O	ZINC000570266315	568458764	/nfs/dbraw/zinc/45/87/64/568458764.db2.gz	RUKZEBRYKKWFIV-OAHLLOKOSA-N	1	1	370.478	2.151	20	30		FEEDMO
C[NH+](C)Cc1cnc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)s1	ZINC000809639954	674502278	/nfs/dbraw/zinc/50/22/78/674502278.db2.gz	RLRUIGUDOOKZKQ-GXTWGEPZSA-N	1	1	365.503	2.053	20	30		FEEDMO
C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1scc(C(C)(C)C)c1C#N	ZINC000559795798	674556221	/nfs/dbraw/zinc/55/62/21/674556221.db2.gz	HHOWDNGDEDZYGU-LBPRGKRZSA-N	1	1	362.499	2.408	20	30		FEEDMO
Brc1ccn2cc(C=NNC3=[NH+][C@H]4CCCC[C@@H]4N3)nc2c1	ZINC000811645898	674618399	/nfs/dbraw/zinc/61/83/99/674618399.db2.gz	DSDZUKJPHRNMDV-STQMWFEESA-N	1	1	361.247	2.291	20	30		FEEDMO
C[N@@H+](CC(=O)N(CCC#N)c1ccc2c(c1)OCCO2)[C@@H]1CCSC1	ZINC000563323803	674872477	/nfs/dbraw/zinc/87/24/77/674872477.db2.gz	QFNFUQULUYSEQI-OAHLLOKOSA-N	1	1	361.467	2.142	20	30		FEEDMO
C#CCNC(=O)CC[N@@H+](CC)CCOc1ccc(Br)cc1	ZINC000815054013	674907828	/nfs/dbraw/zinc/90/78/28/674907828.db2.gz	WHUDWJBIKIDQFX-UHFFFAOYSA-N	1	1	353.260	2.289	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1	ZINC000815203973	674930104	/nfs/dbraw/zinc/93/01/04/674930104.db2.gz	PCLXSNXLIIKMNM-JKSUJKDBSA-N	1	1	351.491	2.400	20	30		FEEDMO
C=CCC(F)(F)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1	ZINC000815420018	674947224	/nfs/dbraw/zinc/94/72/24/674947224.db2.gz	ISMDBFGKZXGLRI-UHFFFAOYSA-N	1	1	351.441	2.474	20	30		FEEDMO
N#Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)o1	ZINC000564101926	674973766	/nfs/dbraw/zinc/97/37/66/674973766.db2.gz	MOXAUUWYBJSVKO-AWEZNQCLSA-N	1	1	351.815	2.140	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO	ZINC001048570039	675010731	/nfs/dbraw/zinc/01/07/31/675010731.db2.gz	DRVBEDWXVCXVTF-PJVZLEMVSA-N	1	1	350.503	2.099	20	30		FEEDMO
CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCN1c1snc(C)c1C#N	ZINC001048759326	675014500	/nfs/dbraw/zinc/01/45/00/675014500.db2.gz	FUIBXLPNCKZNER-CWRNSKLLSA-N	1	1	361.515	2.139	20	30		FEEDMO
CCCC(N)=[NH+]OCC(=O)Nc1ccc(I)cc1	ZINC000105605413	670804042	/nfs/dbraw/zinc/80/40/42/670804042.db2.gz	OIHUEQYCJRPFOO-UHFFFAOYSA-N	1	1	361.183	2.319	20	30		FEEDMO
C=C(C)C[NH+]1CCC(NC(=O)c2cccc(S(=O)(=O)C(F)F)c2)CC1	ZINC000817532470	675143014	/nfs/dbraw/zinc/14/30/14/675143014.db2.gz	KYGSUXHXSDTZIB-UHFFFAOYSA-N	1	1	372.437	2.453	20	30		FEEDMO
C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)C1	ZINC000575774367	671319787	/nfs/dbraw/zinc/31/97/87/671319787.db2.gz	BGTQSSZQXUSWAK-NSHDSACASA-N	1	1	361.389	2.197	20	30		FEEDMO
C[C@@H](O)C[N@H+]1CCN(c2cc(Br)c(C#N)cc2F)[C@@H](C)C1	ZINC000576621217	671382233	/nfs/dbraw/zinc/38/22/33/671382233.db2.gz	YOHKVFBOQGASKW-WDEREUQCSA-N	1	1	356.239	2.351	20	30		FEEDMO
C[C@H](O)C[N@H+]1CCN(c2cc(Br)c(C#N)cc2F)[C@@H](C)C1	ZINC000576621216	671382298	/nfs/dbraw/zinc/38/22/98/671382298.db2.gz	YOHKVFBOQGASKW-QWRGUYRKSA-N	1	1	356.239	2.351	20	30		FEEDMO
CC[C@H]1CN(C(=O)Nc2cnc(C#N)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1	ZINC000581175022	671870221	/nfs/dbraw/zinc/87/02/21/671870221.db2.gz	WLEKYKOLNQVTAR-LRDDRELGSA-N	1	1	363.849	2.181	20	30		FEEDMO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCS(=O)(=O)CC	ZINC000118534891	671886275	/nfs/dbraw/zinc/88/62/75/671886275.db2.gz	BJQLHEOLKXOHSS-UHFFFAOYSA-N	1	1	372.560	2.019	20	30		FEEDMO
C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1	ZINC000179210346	672399820	/nfs/dbraw/zinc/39/98/20/672399820.db2.gz	ZOKZEPCUAGKFQZ-JKSUJKDBSA-N	1	1	351.491	2.400	20	30		FEEDMO
C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1C[N@H+](C)CCO1	ZINC000588314685	672462323	/nfs/dbraw/zinc/46/23/23/672462323.db2.gz	IYDNBBYFBSAMEO-HZMBPMFUSA-N	1	1	367.247	2.161	20	30		FEEDMO
C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1C[N@@H+](C)CCO1	ZINC000588314685	672462324	/nfs/dbraw/zinc/46/23/24/672462324.db2.gz	IYDNBBYFBSAMEO-HZMBPMFUSA-N	1	1	367.247	2.161	20	30		FEEDMO
COC(=O)c1ccc(C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)cc1Cl	ZINC000590709577	672604659	/nfs/dbraw/zinc/60/46/59/672604659.db2.gz	OTJRGWQKDZJPHJ-UHFFFAOYSA-N	1	1	361.833	2.368	20	30		FEEDMO
Cc1sc(NC(=O)C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c(C#N)c1C	ZINC000590749479	672609698	/nfs/dbraw/zinc/60/96/98/672609698.db2.gz	SVMQVAHZZMDKER-LZWOXQAQSA-N	1	1	363.483	2.037	20	30		FEEDMO
Cc1sc(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c(C#N)c1C	ZINC000590749479	672609701	/nfs/dbraw/zinc/60/97/01/672609701.db2.gz	SVMQVAHZZMDKER-LZWOXQAQSA-N	1	1	363.483	2.037	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F	ZINC000611578268	676045415	/nfs/dbraw/zinc/04/54/15/676045415.db2.gz	ZXEZVTQOLKCFTF-HNNXBMFYSA-N	1	1	357.376	2.174	20	30		FEEDMO
C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1	ZINC000592127451	672761561	/nfs/dbraw/zinc/76/15/61/672761561.db2.gz	FOOGFGXUSUFANI-IJEWVQPXSA-N	1	1	350.484	2.392	20	30		FEEDMO
N#CC[C@]1(O)CC[N@@H+](CCC(=O)Nc2ccccc2Br)C1	ZINC000592151865	672764855	/nfs/dbraw/zinc/76/48/55/672764855.db2.gz	RHVNZNRRUTYUIW-HNNXBMFYSA-N	1	1	352.232	2.128	20	30		FEEDMO
CC[N@@H+](CCSC)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1	ZINC000592200600	672770436	/nfs/dbraw/zinc/77/04/36/672770436.db2.gz	AHKLOXLQBCTJDH-HNNXBMFYSA-N	1	1	366.556	2.142	20	30		FEEDMO
CCCCCCCS(=O)(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000195233758	672779802	/nfs/dbraw/zinc/77/98/02/672779802.db2.gz	RRRMPUOKCLPCBB-GOSISDBHSA-N	1	1	359.580	2.389	20	30		FEEDMO
C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1CN(C2CC2)C[C@@H]1C	ZINC000261996551	672907228	/nfs/dbraw/zinc/90/72/28/672907228.db2.gz	SPLHIPZVZJBSHC-ONIAQPFYSA-N	1	1	350.551	2.475	20	30		FEEDMO
C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H](C)[N@@H+]1C	ZINC000593731957	672984464	/nfs/dbraw/zinc/98/44/64/672984464.db2.gz	ISUPKOODZASMCR-TXEJJXNPSA-N	1	1	350.260	2.414	20	30		FEEDMO
C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1=O	ZINC000685004366	672984747	/nfs/dbraw/zinc/98/47/47/672984747.db2.gz	WRFSXPCOVHASGN-BLLLJJGKSA-N	1	1	373.280	2.452	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)[N@H+](C)C1	ZINC000328950185	673069672	/nfs/dbraw/zinc/06/96/72/673069672.db2.gz	CFGCQZIOELGWFU-CQDKDKBSSA-N	1	1	369.824	2.260	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)[N@@H+](C)C1	ZINC000328950185	673069675	/nfs/dbraw/zinc/06/96/75/673069675.db2.gz	CFGCQZIOELGWFU-CQDKDKBSSA-N	1	1	369.824	2.260	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccc(C)s2)N2CCOCC2)[N@H+](C)C1	ZINC000329022935	673070943	/nfs/dbraw/zinc/07/09/43/673070943.db2.gz	MSXKLENXPRBYOS-JYJNAYRXSA-N	1	1	367.515	2.105	20	30		FEEDMO
CO[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccc(C)s2)N2CCOCC2)[N@@H+](C)C1	ZINC000329022935	673070949	/nfs/dbraw/zinc/07/09/49/673070949.db2.gz	MSXKLENXPRBYOS-JYJNAYRXSA-N	1	1	367.515	2.105	20	30		FEEDMO
O=C(NCC[NH+]1CCSCC1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1	ZINC000329456945	673077577	/nfs/dbraw/zinc/07/75/77/673077577.db2.gz	QLEHXQWYNOFLCQ-LBPRGKRZSA-N	1	1	369.437	2.323	20	30		FEEDMO
CCC(C)(C)[NH+]1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1	ZINC000594475791	673082206	/nfs/dbraw/zinc/08/22/06/673082206.db2.gz	UHBMZEHJNLTFJB-UHFFFAOYSA-N	1	1	353.463	2.333	20	30		FEEDMO
Cn1cc[nH+]c1[C@H]1CCCN([C@H]2CCN(c3sccc3C#N)C2=O)C1	ZINC000365681225	673144821	/nfs/dbraw/zinc/14/48/21/673144821.db2.gz	YKZFVPBPAPSYHE-GJZGRUSLSA-N	1	1	355.467	2.338	20	30		FEEDMO
Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCc2ccc(C#N)cc2)cc1	ZINC000595331930	673226284	/nfs/dbraw/zinc/22/62/84/673226284.db2.gz	ZBVSUILNQICFPK-UHFFFAOYSA-N	1	1	357.479	2.320	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1	ZINC000730282989	673268848	/nfs/dbraw/zinc/26/88/48/673268848.db2.gz	RVVUBZFYBDOIBW-IRXDYDNUSA-N	1	1	350.821	2.477	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1	ZINC000730282989	673268851	/nfs/dbraw/zinc/26/88/51/673268851.db2.gz	RVVUBZFYBDOIBW-IRXDYDNUSA-N	1	1	350.821	2.477	20	30		FEEDMO
N#Cc1ccc(Br)c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1	ZINC000595863027	673331298	/nfs/dbraw/zinc/33/12/98/673331298.db2.gz	JLYQVCABMOUMOU-INIZCTEOSA-N	1	1	364.287	2.352	20	30		FEEDMO
Cc1nnc(CNc2cc(C)[nH+]c(NCc3nnc(C)s3)c2C#N)s1	ZINC000596186499	673366205	/nfs/dbraw/zinc/36/62/05/673366205.db2.gz	LEEWCYQBFPWIPX-UHFFFAOYSA-N	1	1	372.483	2.806	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](N(C)C)[C@@H](SC)C1	ZINC000537288896	673385756	/nfs/dbraw/zinc/38/57/56/673385756.db2.gz	DLUHHEXPOFSOBT-LMMKCTJWSA-N	1	1	350.528	2.132	20	30		FEEDMO
C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](N(C)C)[C@@H](SC)C1	ZINC000537288896	673385759	/nfs/dbraw/zinc/38/57/59/673385759.db2.gz	DLUHHEXPOFSOBT-LMMKCTJWSA-N	1	1	350.528	2.132	20	30		FEEDMO
C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H](S(=O)(=O)NC)C2)c1O	ZINC000733300184	673407768	/nfs/dbraw/zinc/40/77/68/673407768.db2.gz	KHRMALXTISOCCX-QGZVFWFLSA-N	1	1	368.499	2.033	20	30		FEEDMO
N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)CCOCC1	ZINC000599297624	673655497	/nfs/dbraw/zinc/65/54/97/673655497.db2.gz	NYZQYEJGNVZIBY-UONOGXRCSA-N	1	1	350.381	2.101	20	30		FEEDMO
C[N@@H+](CC(=O)NCCC#N)CC1(c2ccc(Br)cc2)CC1	ZINC000741249554	673677033	/nfs/dbraw/zinc/67/70/33/673677033.db2.gz	BQWWNUWDFQBRGA-UHFFFAOYSA-N	1	1	350.260	2.442	20	30		FEEDMO
C=CCCn1cc(C(=O)Nc2ccc(Cl)c(C[N@H+](C)CCO)c2)nn1	ZINC000614387158	676173218	/nfs/dbraw/zinc/17/32/18/676173218.db2.gz	MGFSCYUYFNWMSV-UHFFFAOYSA-N	1	1	363.849	2.184	20	30		FEEDMO
C=CCCn1cc(C(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)nn1	ZINC000614387158	676173220	/nfs/dbraw/zinc/17/32/20/676173220.db2.gz	MGFSCYUYFNWMSV-UHFFFAOYSA-N	1	1	363.849	2.184	20	30		FEEDMO
N#C[C@H](c1cccs1)N1CCN(C(=O)C[N@H+]2CC[C@H]3CCC[C@H]32)CC1	ZINC000614600328	676182986	/nfs/dbraw/zinc/18/29/86/676182986.db2.gz	FXZBJXRFDSMFJC-BRWVUGGUSA-N	1	1	358.511	2.331	20	30		FEEDMO
CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)C1	ZINC000601360026	673848110	/nfs/dbraw/zinc/84/81/10/673848110.db2.gz	RMWMKLSEBVGYGW-CQSZACIVSA-N	1	1	353.463	2.358	20	30		FEEDMO
Cc1sc(NC(=O)Cn2cc(C[NH+]3CCCCC3)nn2)c(C#N)c1C	ZINC000603169414	673918559	/nfs/dbraw/zinc/91/85/59/673918559.db2.gz	RFGZSFPQYIYMQZ-UHFFFAOYSA-N	1	1	358.471	2.453	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1	ZINC000818599184	675227477	/nfs/dbraw/zinc/22/74/77/675227477.db2.gz	CZMDNPAAQVYSKJ-UHFFFAOYSA-N	1	1	361.339	2.046	20	30		FEEDMO
COc1ccc(C[N@H+](C)CC(=O)NC2(C#N)CCC2)cc1OC(F)F	ZINC000615223690	676207865	/nfs/dbraw/zinc/20/78/65/676207865.db2.gz	OJBZHTUBKFOKHM-UHFFFAOYSA-N	1	1	353.369	2.291	20	30		FEEDMO
COc1ccc(C[N@@H+](C)CC(=O)NC2(C#N)CCC2)cc1OC(F)F	ZINC000615223690	676207867	/nfs/dbraw/zinc/20/78/67/676207867.db2.gz	OJBZHTUBKFOKHM-UHFFFAOYSA-N	1	1	353.369	2.291	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCn1cc(Br)cn1	ZINC000567022075	675260700	/nfs/dbraw/zinc/26/07/00/675260700.db2.gz	NYQLFORVWAXOLL-SWLSCSKDSA-N	1	1	370.295	2.020	20	30		FEEDMO
CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCn1cc(Br)cn1	ZINC000567022075	675260701	/nfs/dbraw/zinc/26/07/01/675260701.db2.gz	NYQLFORVWAXOLL-SWLSCSKDSA-N	1	1	370.295	2.020	20	30		FEEDMO
C[C@@H]1C[C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC[N@H+]1C	ZINC000819314263	675280281	/nfs/dbraw/zinc/28/02/81/675280281.db2.gz	WGNBEOFYNLCFAT-ILXRZTDVSA-N	1	1	352.479	2.172	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)Cc1noc2ccc(Br)cc12	ZINC000819544610	675297619	/nfs/dbraw/zinc/29/76/19/675297619.db2.gz	PKQACJDCGDIANP-UHFFFAOYSA-N	1	1	364.243	2.204	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1C	ZINC000819544309	675297679	/nfs/dbraw/zinc/29/76/79/675297679.db2.gz	KXOCYQOKROHENH-QLFBSQMISA-N	1	1	352.479	2.125	20	30		FEEDMO
COc1cc(Cl)ccc1C[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1	ZINC000567690831	675312925	/nfs/dbraw/zinc/31/29/25/675312925.db2.gz	JWVDEPPTJHBNFC-UHFFFAOYSA-N	1	1	365.842	2.179	20	30		FEEDMO
C[C@@H]1CCC[N@H+]1CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C	ZINC000819931962	675325323	/nfs/dbraw/zinc/32/53/23/675325323.db2.gz	YHRUQZLDYOWPIY-CABCVRRESA-N	1	1	352.479	2.174	20	30		FEEDMO
C[C@H](SC[C@H]1C[N@H+](C)CCO1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000567849095	675329065	/nfs/dbraw/zinc/32/90/65/675329065.db2.gz	LWDNKXLGXYEZMO-NWDGAFQWSA-N	1	1	365.524	2.499	20	30		FEEDMO
C[C@H](SC[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000567849095	675329068	/nfs/dbraw/zinc/32/90/68/675329068.db2.gz	LWDNKXLGXYEZMO-NWDGAFQWSA-N	1	1	365.524	2.499	20	30		FEEDMO
C#C[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC	ZINC000824296898	675593908	/nfs/dbraw/zinc/59/39/08/675593908.db2.gz	KTCZWWXODARHQB-NWDGAFQWSA-N	1	1	353.260	2.416	20	30		FEEDMO
C#C[C@H](C)[N@H+](C)Cc1cc(Br)ccc1O[C@H](C)C(=O)NC	ZINC000824296898	675593910	/nfs/dbraw/zinc/59/39/10/675593910.db2.gz	KTCZWWXODARHQB-NWDGAFQWSA-N	1	1	353.260	2.416	20	30		FEEDMO
C=CCN1C(=S)N=NC1c1sc(NC(=O)C2([NH+](C)C)CC2)nc1C	ZINC000826899869	675714325	/nfs/dbraw/zinc/71/43/25/675714325.db2.gz	XUIOLNKNCGIXHS-UHFFFAOYSA-N	1	1	364.500	2.217	20	30		FEEDMO
CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1	ZINC000646113017	677279466	/nfs/dbraw/zinc/27/94/66/677279466.db2.gz	XCVOPSVTDJGNFK-SECBINFHSA-N	1	1	372.256	2.201	20	30		FEEDMO
C#CC[N@@H+](C)CCCNC(=O)N1CCc2ccc(Br)cc21	ZINC000838622463	680706537	/nfs/dbraw/zinc/70/65/37/680706537.db2.gz	HAXZYKSRAIXRPW-UHFFFAOYSA-N	1	1	350.260	2.476	20	30		FEEDMO
C=CCNC(=O)C[NH2+]Cc1cn(-c2cccc(Br)c2)nc1C	ZINC000655756826	677665472	/nfs/dbraw/zinc/66/54/72/677665472.db2.gz	ZJHVRUWDAZKOEA-UHFFFAOYSA-N	1	1	363.259	2.335	20	30		FEEDMO
C=CCN(C(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[C@H](C)COC	ZINC000658376673	678078370	/nfs/dbraw/zinc/07/83/70/678078370.db2.gz	XTIFJEWKXBOJKW-CYBMUJFWSA-N	1	1	367.877	2.390	20	30		FEEDMO
C=CC[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)[C@@H](C)COC	ZINC000661243355	678457557	/nfs/dbraw/zinc/45/75/57/678457557.db2.gz	JKNAEMAHNKBBLO-YJBOKZPZSA-N	1	1	350.434	2.249	20	30		FEEDMO
C=CC[N@@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)[C@@H](C)COC	ZINC000661243355	678457562	/nfs/dbraw/zinc/45/75/62/678457562.db2.gz	JKNAEMAHNKBBLO-YJBOKZPZSA-N	1	1	350.434	2.249	20	30		FEEDMO
C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(CC)CC(=O)NCc1cccs1	ZINC000662081585	678575073	/nfs/dbraw/zinc/57/50/73/678575073.db2.gz	VLTMDHAAGXWPTC-IYBDPMFKSA-N	1	1	361.511	2.396	20	30		FEEDMO
C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCS[C@@H](C)[C@@H]1C	ZINC000669033437	679216116	/nfs/dbraw/zinc/21/61/16/679216116.db2.gz	PFODKHGYHDRCMY-JONQDZQNSA-N	1	1	363.531	2.330	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1	ZINC000974444995	679943601	/nfs/dbraw/zinc/94/36/01/679943601.db2.gz	OSCFUJFLGQWAEM-BZUAXINKSA-N	1	1	367.921	2.309	20	30		FEEDMO
CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1	ZINC000748318225	679951947	/nfs/dbraw/zinc/95/19/47/679951947.db2.gz	NYYJISWWJJAECW-IRXDYDNUSA-N	1	1	350.507	2.155	20	30		FEEDMO
C=C(Br)CN1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12	ZINC000990759562	680072266	/nfs/dbraw/zinc/07/22/66/680072266.db2.gz	CZPZSRWGSGIYKN-KCYZZUKISA-N	1	1	370.335	2.348	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[N@H+](C[C@H]2CC(C)(C)CO2)CC1	ZINC000981190080	680219793	/nfs/dbraw/zinc/21/97/93/680219793.db2.gz	ORLDBCMWRJYNPG-KURKYZTESA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCOCC1	ZINC001028192728	680372042	/nfs/dbraw/zinc/37/20/42/680372042.db2.gz	KMEYUXRIDLCPLI-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCn1cc(Cl)cn1	ZINC001028195757	680372537	/nfs/dbraw/zinc/37/25/37/680372537.db2.gz	UUFTVQHGLMTXIP-IKGGRYGDSA-N	1	1	366.893	2.098	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCn1cc(Cl)cn1	ZINC001028195757	680372540	/nfs/dbraw/zinc/37/25/40/680372540.db2.gz	UUFTVQHGLMTXIP-IKGGRYGDSA-N	1	1	366.893	2.098	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2ccc(C#N)s2)CC[N@H+]1C	ZINC001029313627	680388118	/nfs/dbraw/zinc/38/81/18/680388118.db2.gz	IGSKRMOUKQBTRP-ZXFNITATSA-N	1	1	358.511	2.135	20	30		FEEDMO
C[C@@H](CNc1cccc(S(N)(=O)=O)c1C#N)[N@@H+](C)Cc1ccccc1	ZINC000755006781	680393941	/nfs/dbraw/zinc/39/39/41/680393941.db2.gz	XMKDDSLWEWOBHU-AWEZNQCLSA-N	1	1	358.467	2.138	20	30		FEEDMO
C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cccc(S(N)(=O)=O)c1C#N	ZINC000755021214	680394740	/nfs/dbraw/zinc/39/47/40/680394740.db2.gz	YFKCDIKGYOCAQS-CQSZACIVSA-N	1	1	358.467	2.138	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)Cc2cnns2)CC1	ZINC001030002818	680396501	/nfs/dbraw/zinc/39/65/01/680396501.db2.gz	RHMCBLDKNSXIIB-IRXDYDNUSA-N	1	1	364.515	2.190	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C[N@H+](C)Cc2cnns2)CC1	ZINC001030002818	680396505	/nfs/dbraw/zinc/39/65/05/680396505.db2.gz	RHMCBLDKNSXIIB-IRXDYDNUSA-N	1	1	364.515	2.190	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCOCC2)C1	ZINC001033431704	680423104	/nfs/dbraw/zinc/42/31/04/680423104.db2.gz	HPWVQRNOIOBYJA-QRVBRYPASA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nn(C)cc2Cl)C1	ZINC001000434817	680431910	/nfs/dbraw/zinc/43/19/10/680431910.db2.gz	MPNBTYRLXOKSQU-ZQIUZPCESA-N	1	1	366.893	2.135	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](Cc2cc(OC)ns2)C1	ZINC001034404983	680434976	/nfs/dbraw/zinc/43/49/76/680434976.db2.gz	XBCDVNSRKKQMAN-BMFZPTHFSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](Cc2cc(OC)ns2)C1	ZINC001034404983	680434977	/nfs/dbraw/zinc/43/49/77/680434977.db2.gz	XBCDVNSRKKQMAN-BMFZPTHFSA-N	1	1	365.499	2.214	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC2(CC[N@H+](C[C@@H](C)OC)C2)CC1	ZINC001035237712	680444510	/nfs/dbraw/zinc/44/45/10/680444510.db2.gz	RREQZXYLMHVOMU-SQNIBIBYSA-N	1	1	350.503	2.317	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCCCCC2)CCO1	ZINC001035514315	680449329	/nfs/dbraw/zinc/44/93/29/680449329.db2.gz	CJHIRQFLPKSAES-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CCOC)C2)CC1	ZINC001039131848	680462195	/nfs/dbraw/zinc/46/21/95/680462195.db2.gz	XLMDDMWPOOXBBY-QRVBRYPASA-N	1	1	350.503	2.175	20	30		FEEDMO
C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[C@@H](C(N)=O)C3)CC2)C1	ZINC001039159039	680462228	/nfs/dbraw/zinc/46/22/28/680462228.db2.gz	BHYYMKQBGFNHOI-IXDOHACOSA-N	1	1	367.921	2.201	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(Cl)c(N2CCNC2=O)c1	ZINC000756541595	680484020	/nfs/dbraw/zinc/48/40/20/680484020.db2.gz	JKOHVGQZGYWSEL-AWEZNQCLSA-N	1	1	361.829	2.124	20	30		FEEDMO
C=C(Br)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1	ZINC001041701805	680509330	/nfs/dbraw/zinc/50/93/30/680509330.db2.gz	QSELDLQZMXOVIA-FMKPAKJESA-N	1	1	357.292	2.387	20	30		FEEDMO
C=C(Br)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)C1	ZINC001041701805	680509332	/nfs/dbraw/zinc/50/93/32/680509332.db2.gz	QSELDLQZMXOVIA-FMKPAKJESA-N	1	1	357.292	2.387	20	30		FEEDMO
N#Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)s1	ZINC001003338235	680526225	/nfs/dbraw/zinc/52/62/25/680526225.db2.gz	CBWFCUXQHZVJEV-WKULXVSPSA-N	1	1	357.479	2.124	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)NC(C)(C)CN1CCN(CC)CC1	ZINC000837133860	680557764	/nfs/dbraw/zinc/55/77/64/680557764.db2.gz	BKXFDDSXJUPHMY-QGZVFWFLSA-N	1	1	354.539	2.490	20	30		FEEDMO
CCCC[C@@H](ON=C(C)C)C(=O)NC(C)(C)C[NH+]1CCN(CC)CC1	ZINC000837133860	680557765	/nfs/dbraw/zinc/55/77/65/680557765.db2.gz	BKXFDDSXJUPHMY-QGZVFWFLSA-N	1	1	354.539	2.490	20	30		FEEDMO
C#CCNC(=S)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1	ZINC000758219305	680563186	/nfs/dbraw/zinc/56/31/86/680563186.db2.gz	JXVPZLPBTCJHGE-UHFFFAOYSA-N	1	1	354.479	2.403	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC2(C)CCN(Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C	ZINC001045445013	680630207	/nfs/dbraw/zinc/63/02/07/680630207.db2.gz	OSMVWXKLXBDRDX-RHSMWYFYSA-N	1	1	360.527	2.431	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)NC2(C)CCN(Cc3ccc(C#N)s3)CC2)CC[N@H+]1C	ZINC001045445013	680630209	/nfs/dbraw/zinc/63/02/09/680630209.db2.gz	OSMVWXKLXBDRDX-RHSMWYFYSA-N	1	1	360.527	2.431	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CCOCC2)C1	ZINC001007356541	680636501	/nfs/dbraw/zinc/63/65/01/680636501.db2.gz	HPQKWDSXZDDTQD-QRVBRYPASA-N	1	1	350.503	2.365	20	30		FEEDMO
C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CCN(S(C)(=O)=O)CC1	ZINC000759429515	680648749	/nfs/dbraw/zinc/64/87/49/680648749.db2.gz	FSRSOGKAWMQMCC-UHFFFAOYSA-N	1	1	371.890	2.098	20	30		FEEDMO
C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](Cc2csc(C)c2)C[C@@H]1O	ZINC001047385193	680661675	/nfs/dbraw/zinc/66/16/75/680661675.db2.gz	CPKBUHPYDIZTFM-OWSLCNJRSA-N	1	1	364.511	2.041	20	30		FEEDMO
N#CCCNC(=O)C[NH+]1CCC(Oc2cccc(Br)c2)CC1	ZINC000759912105	680671806	/nfs/dbraw/zinc/67/18/06/680671806.db2.gz	WYECTKUAGLMGGV-UHFFFAOYSA-N	1	1	366.259	2.322	20	30		FEEDMO
C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc2sc(Cl)nc2c1	ZINC000841525644	680891841	/nfs/dbraw/zinc/89/18/41/680891841.db2.gz	OEJSHEHBTANBMW-UHFFFAOYSA-N	1	1	357.888	2.183	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2cccc(Br)c2O)CC1	ZINC000769025087	680968255	/nfs/dbraw/zinc/96/82/55/680968255.db2.gz	ITHIGDJUOYPTLV-UHFFFAOYSA-N	1	1	351.244	2.116	20	30		FEEDMO
C[C@@H](C(=O)NCCc1cccs1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1	ZINC000844366307	681054271	/nfs/dbraw/zinc/05/42/71/681054271.db2.gz	IKPKHJQHRGATFX-KBXCAEBGSA-N	1	1	357.479	2.332	20	30		FEEDMO
C[C@@H](C(=O)NCCc1cccs1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1	ZINC000844366307	681054273	/nfs/dbraw/zinc/05/42/73/681054273.db2.gz	IKPKHJQHRGATFX-KBXCAEBGSA-N	1	1	357.479	2.332	20	30		FEEDMO
CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C	ZINC000771446494	681056086	/nfs/dbraw/zinc/05/60/86/681056086.db2.gz	MUPVRHRQGFUHNT-HNNXBMFYSA-N	1	1	352.479	2.080	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CCC1CCCC1	ZINC001051154783	681064373	/nfs/dbraw/zinc/06/43/73/681064373.db2.gz	IZPJKHCUVMZESP-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1CCC1CCCC1	ZINC001051154783	681064375	/nfs/dbraw/zinc/06/43/75/681064375.db2.gz	IZPJKHCUVMZESP-QYZOEREBSA-N	1	1	350.503	2.365	20	30		FEEDMO
C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CCN1c1ncc(C#N)cc1Cl	ZINC001051230720	681065960	/nfs/dbraw/zinc/06/59/60/681065960.db2.gz	PTPGPBLFUQUEHT-UHOFOFEASA-N	1	1	361.877	2.174	20	30		FEEDMO
C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CNc1snc(Cl)c1C#N	ZINC001053667197	681103284	/nfs/dbraw/zinc/10/32/84/681103284.db2.gz	YCGPSKARIOGMMT-NQBHXWOUSA-N	1	1	367.906	2.269	20	30		FEEDMO
Cc1nsc(NC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)c1C#N	ZINC001054673758	681114505	/nfs/dbraw/zinc/11/45/05/681114505.db2.gz	AEMNERBPBMLLLV-TZMCWYRMSA-N	1	1	361.515	2.314	20	30		FEEDMO
Cc1nsc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C3)c1C#N	ZINC001055246394	681127569	/nfs/dbraw/zinc/12/75/69/681127569.db2.gz	SHZGJUQHLJHXRU-SYAUCNOPSA-N	1	1	359.499	2.033	20	30		FEEDMO
Cc1nsc(NCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c1C#N	ZINC001057551931	681161520	/nfs/dbraw/zinc/16/15/20/681161520.db2.gz	YVBLIAUNZSPBEA-UKRRQHHQSA-N	1	1	361.515	2.314	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](Nc3nc(C#N)c(Cl)s3)C2)CC[N@H+]1C	ZINC001057771161	681164158	/nfs/dbraw/zinc/16/41/58/681164158.db2.gz	VVSIOFCDSJKQPW-IJLUTSLNSA-N	1	1	367.906	2.411	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N2CCC[C@@H](Nc3ncc(C#N)cc3Cl)C2)CC[N@H+]1C	ZINC001057770538	681164222	/nfs/dbraw/zinc/16/42/22/681164222.db2.gz	DIBLSJPWTANQSB-BPLDGKMQSA-N	1	1	361.877	2.350	20	30		FEEDMO
C[C@@H]1[C@H](C(=O)N[C@H]2CCCN(c3ncc(C#N)cc3Cl)C2)CC[N@H+]1C	ZINC001058258081	681169702	/nfs/dbraw/zinc/16/97/02/681169702.db2.gz	MEYUIBHXNGQBFB-VHDGCEQUSA-N	1	1	361.877	2.032	20	30		FEEDMO
CCS(=O)(=O)c1c(Cl)cccc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1	ZINC000774393271	681182633	/nfs/dbraw/zinc/18/26/33/681182633.db2.gz	JILDPUCXBKVOTQ-ZIAGYGMSSA-N	1	1	368.890	2.328	20	30		FEEDMO
C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCOC)C[C@H]2CC1	ZINC000946813368	681261873	/nfs/dbraw/zinc/26/18/73/681261873.db2.gz	QBHYPCBJSTYVKB-RDGPPVDQSA-N	1	1	350.503	2.175	20	30		FEEDMO
C[C@H](C#N)OCC[N@@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000932712647	681294911	/nfs/dbraw/zinc/29/49/11/681294911.db2.gz	OTZMWCQEPYJTQZ-OAHLLOKOSA-N	1	1	353.463	2.017	20	30		FEEDMO
C[C@H](C#N)OCC[N@H+]1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1	ZINC000932712647	681294914	/nfs/dbraw/zinc/29/49/14/681294914.db2.gz	OTZMWCQEPYJTQZ-OAHLLOKOSA-N	1	1	353.463	2.017	20	30		FEEDMO
C=CCNC(=O)C[N@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1	ZINC000932809041	681313888	/nfs/dbraw/zinc/31/38/88/681313888.db2.gz	AGEKXMAQNWTGQG-MRXNPFEDSA-N	1	1	353.260	2.035	20	30		FEEDMO
C=CCNC(=O)C[N@@H+]1CCC[C@](O)(c2ccc(Br)cc2)C1	ZINC000932809041	681313890	/nfs/dbraw/zinc/31/38/90/681313890.db2.gz	AGEKXMAQNWTGQG-MRXNPFEDSA-N	1	1	353.260	2.035	20	30		FEEDMO
C#C[C@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCCO1	ZINC000775796251	681336124	/nfs/dbraw/zinc/33/61/24/681336124.db2.gz	UJUFHWONDBBGIX-QWHCGFSZSA-N	1	1	373.197	2.436	20	30		FEEDMO
C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C	ZINC000847491023	681385806	/nfs/dbraw/zinc/38/58/06/681385806.db2.gz	FXNJKEWZELIUOP-HUUCEWRRSA-N	1	1	352.479	2.174	20	30		FEEDMO
C#CCC[NH+]1CCN([C@H](C(=O)OC)c2cccc(Br)c2)CC1	ZINC000776594839	681413187	/nfs/dbraw/zinc/41/31/87/681413187.db2.gz	YLMRFFUNLRQWBE-INIZCTEOSA-N	1	1	365.271	2.304	20	30		FEEDMO
C[C@@H]1[C@@H](C)[N@@H+](CCC(=O)N(C)CCC#N)CCN1C(=O)OC(C)(C)C	ZINC000776607972	681415349	/nfs/dbraw/zinc/41/53/49/681415349.db2.gz	YFOANOQIDOVPDJ-HUUCEWRRSA-N	1	1	352.479	2.078	20	30		FEEDMO
COCC#CC[N@@H+]1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1	ZINC000933830620	681472534	/nfs/dbraw/zinc/47/25/34/681472534.db2.gz	SJEPJHDHGAOZTI-UHFFFAOYSA-N	1	1	352.475	2.175	20	30		FEEDMO
COCC#CC[N@H+]1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1	ZINC000933830620	681472535	/nfs/dbraw/zinc/47/25/35/681472535.db2.gz	SJEPJHDHGAOZTI-UHFFFAOYSA-N	1	1	352.475	2.175	20	30		FEEDMO
C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(Br)c(C)nc1OC	ZINC000777309656	681480918	/nfs/dbraw/zinc/48/09/18/681480918.db2.gz	CWRGDAGDJLMCKK-GFCCVEGCSA-N	1	1	367.243	2.416	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(Br)c(C)nc1OC	ZINC000777309656	681480924	/nfs/dbraw/zinc/48/09/24/681480924.db2.gz	CWRGDAGDJLMCKK-GFCCVEGCSA-N	1	1	367.243	2.416	20	30		FEEDMO
CN(C)S(=O)(=O)c1cccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)c1	ZINC000848625045	681591044	/nfs/dbraw/zinc/59/10/44/681591044.db2.gz	GPVDYNDJUOADJP-CQSZACIVSA-N	1	1	363.443	2.071	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](O)[C@H](F)C2)sc2c1CCCC2	ZINC000934580990	681596276	/nfs/dbraw/zinc/59/62/76/681596276.db2.gz	HPAFXZPAARNJGY-ZIAGYGMSSA-N	1	1	351.447	2.232	20	30		FEEDMO
N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](O)[C@H](F)C2)sc2c1CCCC2	ZINC000934580990	681596279	/nfs/dbraw/zinc/59/62/79/681596279.db2.gz	HPAFXZPAARNJGY-ZIAGYGMSSA-N	1	1	351.447	2.232	20	30		FEEDMO
N#Cc1cccc(S(=O)(=O)CC[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1	ZINC000934833463	681645529	/nfs/dbraw/zinc/64/55/29/681645529.db2.gz	KCMXBIZABFNVPK-QZTJIDSGSA-N	1	1	362.495	2.471	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1	ZINC000950779791	681707578	/nfs/dbraw/zinc/70/75/78/681707578.db2.gz	BMPLTZVENRJRLA-JHJVBQTASA-N	1	1	350.850	2.009	20	30		FEEDMO
C#CCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2OC)CC1	ZINC000781902652	681987142	/nfs/dbraw/zinc/98/71/42/681987142.db2.gz	SBWQCIPCFUUJQW-UHFFFAOYSA-N	1	1	365.271	2.419	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1	ZINC000961629674	682097551	/nfs/dbraw/zinc/09/75/51/682097551.db2.gz	DTUGMEPXCFXJRL-DMRZNYOFSA-N	1	1	367.921	2.022	20	30		FEEDMO
C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCOCC2)CC1(C)C	ZINC000941047114	682098246	/nfs/dbraw/zinc/09/82/46/682098246.db2.gz	WGSNSUJGSJYVBY-SQNIBIBYSA-N	1	1	350.503	2.221	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1	ZINC000968011260	682228116	/nfs/dbraw/zinc/22/81/16/682228116.db2.gz	YKYLYYQIBAFEPN-IUODEOHRSA-N	1	1	355.910	2.165	20	30		FEEDMO
C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F	ZINC000968916715	682250386	/nfs/dbraw/zinc/25/03/86/682250386.db2.gz	GWCTVSABWWNYQJ-KFWWJZLASA-N	1	1	364.408	2.270	20	30		FEEDMO
C[C@H](NC(=O)[C@]12C[C@H]1COC2)C1C[NH+](CC#Cc2ccc(Cl)cc2)C1	ZINC000969715052	682274821	/nfs/dbraw/zinc/27/48/21/682274821.db2.gz	WLJWXUNNRFVSSC-VHFSOBRXSA-N	1	1	358.869	2.165	20	30		FEEDMO
C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nc(C(C)C)ns2)C1	ZINC000970241720	682290932	/nfs/dbraw/zinc/29/09/32/682290932.db2.gz	NAXNPCRETPIGKO-YCPHGPKFSA-N	1	1	364.515	2.333	20	30		FEEDMO
C#CCC[N@@H+](CCOC)CC(=O)N[C@H](c1nccs1)c1ccccc1	ZINC000852751277	682335324	/nfs/dbraw/zinc/33/53/24/682335324.db2.gz	VOKOQWALVSVTPH-SFHVURJKSA-N	1	1	357.479	2.320	20	30		FEEDMO
C#CCC[N@H+](CCOC)CC(=O)N[C@H](c1nccs1)c1ccccc1	ZINC000852751277	682335329	/nfs/dbraw/zinc/33/53/29/682335329.db2.gz	VOKOQWALVSVTPH-SFHVURJKSA-N	1	1	357.479	2.320	20	30		FEEDMO
C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC000971711074	682368699	/nfs/dbraw/zinc/36/86/99/682368699.db2.gz	ZLUKSDGKPKBYAA-BZUAXINKSA-N	1	1	366.893	2.173	20	30		FEEDMO
C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2c2nccn2C)C1	ZINC000971711074	682368703	/nfs/dbraw/zinc/36/87/03/682368703.db2.gz	ZLUKSDGKPKBYAA-BZUAXINKSA-N	1	1	366.893	2.173	20	30		FEEDMO
C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC000971721140	682369579	/nfs/dbraw/zinc/36/95/79/682369579.db2.gz	XSZHIHDRYCFEGT-BFYDXBDKSA-N	1	1	366.893	2.266	20	30		FEEDMO
C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccnn2CC)C1	ZINC000971721140	682369585	/nfs/dbraw/zinc/36/95/85/682369585.db2.gz	XSZHIHDRYCFEGT-BFYDXBDKSA-N	1	1	366.893	2.266	20	30		FEEDMO
C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21	ZINC000972342369	682407997	/nfs/dbraw/zinc/40/79/97/682407997.db2.gz	MGXBBJCWTJTTLL-HUUCEWRRSA-N	1	1	364.877	2.030	20	30		FEEDMO
C#CCN(CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)C(=O)OC(C)(C)C	ZINC000855162733	682634426	/nfs/dbraw/zinc/63/44/26/682634426.db2.gz	MEPIQGRQYXWLRJ-HNNXBMFYSA-N	1	1	351.491	2.093	20	30		FEEDMO
C[C@@H]1CCSCC[N@@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000790480468	682681403	/nfs/dbraw/zinc/68/14/03/682681403.db2.gz	LNGJJWGMJCWQEB-FZKQIMNGSA-N	1	1	358.467	2.110	20	30		FEEDMO
C[C@@H]1CCSCC[N@H+]1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O	ZINC000790480468	682681407	/nfs/dbraw/zinc/68/14/07/682681407.db2.gz	LNGJJWGMJCWQEB-FZKQIMNGSA-N	1	1	358.467	2.110	20	30		FEEDMO
CC(C)N1CC[NH+](CCCOC(=O)c2c(F)cc(C#N)cc2F)CC1	ZINC000792010713	682780909	/nfs/dbraw/zinc/78/09/09/682780909.db2.gz	JAXSIRKEMITJGW-UHFFFAOYSA-N	1	1	351.397	2.409	20	30		FEEDMO
FC(F)c1ccc(C=NNC(=S)NCCC[NH+]2CCOCC2)cc1	ZINC000794470593	682971403	/nfs/dbraw/zinc/97/14/03/682971403.db2.gz	HDKRXPABDDNZPD-UHFFFAOYSA-N	1	1	356.442	2.145	20	30		FEEDMO
CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1	ZINC000859328184	683085370	/nfs/dbraw/zinc/08/53/70/683085370.db2.gz	AVNONCCSVHFJQZ-QAPCUYQASA-N	1	1	352.475	2.111	20	30		FEEDMO
CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3sccc3CC#N)C2)[C@H]1C(C)C	ZINC000926264253	683100961	/nfs/dbraw/zinc/10/09/61/683100961.db2.gz	FLGGUFHUHVEJNB-FXRXJOCMSA-N	1	1	361.511	2.414	20	30		FEEDMO
N#CC1CCC(C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1	ZINC000929157806	683554380	/nfs/dbraw/zinc/55/43/80/683554380.db2.gz	FNTROHARNCOMSA-UHFFFAOYSA-N	1	1	365.474	2.462	20	30		FEEDMO
CC[N@H+](C[C@@H](C)C#N)C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1	ZINC000929429542	683595119	/nfs/dbraw/zinc/59/51/19/683595119.db2.gz	MXKYXIDTXBAMOS-UONOGXRCSA-N	1	1	351.447	2.021	20	30		FEEDMO
CC[N@@H+](C[C@@H](C)C#N)C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1	ZINC000929429542	683595123	/nfs/dbraw/zinc/59/51/23/683595123.db2.gz	MXKYXIDTXBAMOS-UONOGXRCSA-N	1	1	351.447	2.021	20	30		FEEDMO
C=CC[C@@H]1CCN(C(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1	ZINC000862544750	683600007	/nfs/dbraw/zinc/60/00/07/683600007.db2.gz	UNLUFJNIQGDNQQ-OAHLLOKOSA-N	1	1	351.491	2.400	20	30		FEEDMO
C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1	ZINC000930000616	683667142	/nfs/dbraw/zinc/66/71/42/683667142.db2.gz	NCCGKUBIBJYILY-ROUUACIJSA-N	1	1	362.495	2.284	20	30		FEEDMO
Cc1[nH+]cc(CNc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1C	ZINC000922373567	683709737	/nfs/dbraw/zinc/70/97/37/683709737.db2.gz	MRESTTBYQAKLED-JZJYNLBNSA-N	1	1	361.471	2.153	20	30		FEEDMO
C#CC[C@H](COC)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F	ZINC000863804862	683775034	/nfs/dbraw/zinc/77/50/34/683775034.db2.gz	KJJVTIMSIXJXBU-SJORKVTESA-N	1	1	350.409	2.298	20	30		FEEDMO
CN1CCC(CNC(=O)c2sccc2CC#N)([NH+]2CCCCC2)CC1	ZINC000866113785	684073545	/nfs/dbraw/zinc/07/35/45/684073545.db2.gz	DFAAFUBHDKIFTF-UHFFFAOYSA-N	1	1	360.527	2.494	20	30		FEEDMO
C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CSc3nccn3C)o2)C1	ZINC000923581583	684308430	/nfs/dbraw/zinc/30/84/30/684308430.db2.gz	INBJEBJGPPVXGU-AWEZNQCLSA-N	1	1	358.467	2.133	20	30		FEEDMO
C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CSc3nccn3C)o2)C1	ZINC000923581583	684308434	/nfs/dbraw/zinc/30/84/34/684308434.db2.gz	INBJEBJGPPVXGU-AWEZNQCLSA-N	1	1	358.467	2.133	20	30		FEEDMO
N#Cc1sc(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)nc1Cl	ZINC000931725150	684337742	/nfs/dbraw/zinc/33/77/42/684337742.db2.gz	SQVCBAOTOFJCEI-DTWKUNHWSA-N	1	1	357.892	2.369	20	30		FEEDMO
O=[N+]([O-])c1cc(C(F)(F)F)ccc1C=NNCCC[NH+]1CCOCC1	ZINC000872371987	684941611	/nfs/dbraw/zinc/94/16/11/684941611.db2.gz	VOOZNMYTVHRJOK-UHFFFAOYSA-N	1	1	360.336	2.259	20	30		FEEDMO
C=CC(C)(C)CCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1	ZINC000873037923	685056124	/nfs/dbraw/zinc/05/61/24/685056124.db2.gz	DQZRJQXKKSJSIU-UHFFFAOYSA-N	1	1	353.507	2.159	20	30		FEEDMO
C#CC[N@H+](CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)C1CSC1	ZINC000878910939	686688657	/nfs/dbraw/zinc/68/86/57/686688657.db2.gz	BKFGOMRMFJXEIH-UHFFFAOYSA-N	1	1	364.467	2.092	20	30		FEEDMO
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